#DEFINITION	Reference Metabolome for Hypericum longistylum
#IDENTTFIER	RefMeta-Hypericum longistylum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Hypericum longistylum
#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 Hypericum longistylum was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78810	0.1
70.27322	0.6
83.01379	0.4
91.01901	0.2
93.03448	0.3
98.19937	0.2
107.01401	2.0
108.02184	0.9
109.02964	0.7
119.01429	0.2
121.02974	1.1
125.02454	0.2
135.00920	0.4
148.01640	1.0
149.02625	0.1
151.00395	7.1
152.00803	0.3
159.04538	0.2
163.00388	2.0
164.01152	0.4
169.01414	0.5
175.04016	0.2
177.01906	0.2
178.99883	3.5
183.04497	0.4
187.03958	0.3
190.99876	0.2
192.00681	0.3
199.04022	0.4
201.01889	0.2
201.05598	0.2
203.03563	0.3
211.04015	0.6
213.05394	0.2
215.03490	0.4
216.04259	0.3
225.86165	0.1
226.02708	0.7
227.03484	1.6
228.04089	0.3
229.04985	0.5
239.03456	0.3
243.02979	7.2
244.03561	0.8
245.04649	0.8
254.02182	1.6
255.02979	18.8
256.03360	1.6
271.02463	40.6
272.02872	3.8
273.03995	0.6
283.02499	1.0
285.04227	0.3
299.01959	0.7
300.02759	80.4
301.03458	29.7
302.03946	1.8
383.20941	0.2
449.10928	0.2
463.08633	2.1
464.08878	0.3
505.09860	100.0
506.10214	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	995.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.1
71.01389	5.1
71.90098	0.7
77.03977	1.6
79.01882	0.9
81.03471	6.8
83.01390	20.7
83.05034	1.0
85.02962	1.2
88.98792	0.7
89.02453	1.9
91.05495	1.0
93.03462	5.5
95.01398	3.8
95.05029	4.4
97.02960	8.1
97.19653	0.7
98.19842	2.4
99.04530	5.6
101.02459	2.6
107.05045	2.2
108.02170	0.8
109.02968	12.1
113.02473	0.9
117.55472	0.7
120.02195	1.4
121.02975	9.3
122.03780	3.7
123.04527	3.4
124.01675	2.7
125.02464	87.7
126.02782	2.5
131.05104	0.9
133.02994	1.2
135.04552	5.8
137.02461	76.6
138.02878	2.4
139.03998	2.7
146.03757	28.2
147.04430	2.7
148.01668	1.1
149.02431	2.8
150.03252	1.9
151.04033	5.4
154.02718	1.0
158.03734	1.6
159.04527	11.3
160.05345	4.4
161.02432	2.5
161.06082	3.5
162.03229	0.9
163.00407	1.8
163.04083	1.2
163.99863	1.6
164.01170	21.7
165.01944	49.7
166.02330	1.4
167.03522	28.0
171.04651	0.9
172.05283	7.2
173.06093	6.1
174.03249	14.1
174.06827	3.5
175.04002	4.7
176.04807	3.1
177.01929	10.1
179.02025	1.4
179.03511	16.9
181.05063	1.6
184.05217	0.9
185.06088	2.8
186.06845	2.7
187.04053	7.4
188.04811	9.5
189.05530	3.0
190.02795	1.7
191.03496	1.3
196.05359	1.5
197.06081	2.1
199.04012	1.5
199.07632	1.9
200.04765	7.2
200.08220	1.1
201.05566	5.5
202.06256	1.5
204.04318	6.3
209.06068	2.8
209.11676	0.9
210.06822	2.4
211.03975	2.6
211.07545	2.0
212.04781	7.4
213.05489	1.4
214.06448	0.8
215.30583	0.8
217.05098	1.2
223.07741	1.3
224.04654	1.4
225.05539	6.4
225.12868	1.0
226.06316	3.7
226.09969	0.9
227.07153	1.9
228.07921	1.7
237.05582	2.4
237.09210	0.7
239.07141	2.1
242.12906	0.7
243.13983	1.5
244.07335	1.6
251.06990	3.6
251.10846	1.0
252.07941	4.5
253.12396	1.5
255.13835	2.7
265.08615	0.9
267.13675	1.0
268.07327	3.0
269.08209	2.1
269.11798	6.5
269.14944	1.5
270.05530	1.2
270.08990	4.2
270.12390	2.1
271.13370	39.5
272.13776	2.8
276.07959	1.1
277.21716	11.6
278.22238	1.1
281.11810	1.0
283.13403	4.5
285.14893	5.2
287.12857	3.2
288.06238	2.3
289.14395	12.1
294.08948	6.8
295.09485	0.9
295.13440	4.3
297.14883	4.4
299.12927	11.1
299.16254	1.1
300.13577	2.0
301.14447	3.4
309.14957	3.0
313.14462	22.8
314.14844	2.0
315.16013	3.4
317.13873	5.7
320.07043	1.4
325.14432	15.9
326.14731	1.5
327.15982	1.3
331.15506	4.0
335.16602	4.2
337.14484	7.7
343.15454	7.4
349.18549	0.9
351.16116	2.5
353.13809	1.2
353.17624	3.3
355.15698	3.8
361.14609	1.0
369.17197	2.2
373.18307	0.9
377.17435	6.1
379.15555	2.1
391.19135	1.9
393.17096	4.6
395.18741	5.9
396.19089	1.2
401.17184	1.9
413.19748	1.6
419.18689	17.1
420.18973	1.7
421.16351	1.4
437.19662	9.5
445.16730	1.7
463.17780	4.5
464.17960	0.9
481.18484	1.6
499.07495	1.0
553.22552	0.9
567.24426	6.0
579.24457	1.2
591.24323	2.2
597.26025	1.1
673.28894	5.7
674.29602	1.5
691.29761	1.4
699.26996	1.5
700.07654	0.9
717.28387	3.8
735.28796	1.4
827.46075	24.0
828.46521	5.7
839.46191	13.9
840.46722	3.5
851.46338	9.6
852.47253	1.6
857.47296	11.1
858.47144	2.6
869.48163	0.9
893.47058	2.8
909.49969	2.0
933.50342	18.2
934.50446	4.0
951.49066	5.1
952.50775	1.6
959.48535	5.2
960.48279	1.7
977.49371	100.0
978.49738	33.4
995.50391	77.3
996.50623	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	3.1
71.73093	0.5
72.99336	0.6
73.02951	0.8
80.19106	0.3
80.22283	0.3
83.01378	0.5
83.05036	0.3
85.02957	2.7
87.00884	0.4
89.02444	2.3
96.87784	0.3
96.96015	0.4
99.92607	0.3
101.02462	3.2
101.06107	2.1
101.06645	0.3
111.00897	0.3
111.08135	1.1
113.02434	1.5
113.09729	0.4
116.92873	3.1
119.03513	0.8
123.08209	0.5
125.02454	0.6
129.05592	2.6
133.05104	0.4
135.08186	2.0
137.02455	0.3
139.07664	1.2
143.03436	0.5
151.11261	0.3
153.09221	1.3
159.04671	0.3
161.04576	1.0
163.11295	0.5
165.12863	2.4
165.43578	0.3
179.05597	0.4
180.07893	0.7
181.12357	2.1
185.13469	0.3
191.10774	0.9
191.60806	0.3
193.16008	0.3
209.11845	7.7
209.15413	1.6
210.12144	0.4
217.25095	0.3
219.13913	0.4
227.13016	0.4
233.22705	0.4
235.08241	1.6
237.14958	5.2
238.15263	0.3
240.97121	0.3
253.08797	4.8
253.11223	22.4
254.11073	1.3
259.20599	0.4
277.21719	100.0
278.22089	8.6
289.21692	0.7
305.17493	0.6
320.12592	0.5
349.16544	0.4
361.19864	0.4
371.18604	0.4
389.19656	2.0
445.25720	0.5
473.25461	11.0
474.25803	1.4
513.30463	0.9
556.75140	0.3
961.14557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48260	0.3
68.99827	5.5
69.03458	0.5
71.05042	1.6
71.20541	0.8
71.20898	0.3
74.41351	0.3
79.01899	0.5
83.05036	23.2
84.05365	0.5
85.02512	0.3
85.02959	1.5
85.06603	2.1
87.04530	23.0
88.04853	0.3
95.05060	0.4
97.02970	0.4
99.00914	0.6
99.04533	3.5
99.08112	0.4
99.76302	0.3
101.06107	2.6
107.05065	0.3
108.51681	0.3
109.02971	0.9
109.06610	1.5
111.00921	0.6
111.04541	58.2
111.08131	0.6
112.04859	1.9
113.06110	18.3
114.06464	0.6
115.04042	2.4
121.06622	1.1
123.04563	1.3
123.08198	4.0
125.02517	0.5
127.04041	0.4
127.07700	0.4
135.08134	0.5
136.05327	0.3
137.02481	1.3
137.06120	0.5
137.09727	0.5
139.04034	50.3
140.04359	1.6
141.09285	1.5
145.05072	0.7
147.08192	0.4
149.06082	0.6
149.09711	0.6
150.03233	0.5
151.04042	1.7
151.07579	0.3
151.11333	3.4
152.04825	0.5
152.11627	0.4
153.05594	1.3
154.06410	0.4
155.10799	0.6
161.09787	0.5
163.11404	0.5
165.05595	1.3
165.09280	0.5
165.12851	2.7
167.03526	0.4
167.07133	0.7
168.04279	0.6
168.12714	0.3
177.01939	0.8
177.05629	0.3
177.09222	0.6
179.07121	1.8
179.10788	0.4
180.04456	0.4
181.08766	0.5
181.12369	0.9
182.05872	23.0
183.06325	1.2
186.05370	14.1
187.05615	0.5
191.07155	0.8
191.10782	1.4
192.07922	1.1
193.05048	0.5
193.08710	2.3
195.06651	0.4
197.15514	0.8
198.05351	0.8
203.10736	0.6
205.05072	1.1
205.12445	0.5
207.06642	1.1
207.10294	0.5
207.13953	1.5
209.11855	4.3
217.16063	0.4
219.06657	2.6
219.10289	1.2
219.13896	0.7
219.17468	1.8
220.07411	2.3
221.08214	8.9
221.11671	0.6
221.15511	1.2
222.08861	1.4
225.14966	1.6
233.08247	2.2
233.11829	2.7
234.12485	0.4
235.09682	1.2
235.13411	0.4
245.11848	0.6
245.15541	1.3
247.09685	1.0
247.13654	0.4
247.17010	0.4
248.06866	0.6
249.07683	0.4
251.12888	79.9
252.06378	0.6
252.13237	5.8
253.10832	12.3
254.11150	0.7
261.11310	1.0
261.14975	1.4
263.09302	3.0
263.12650	2.0
264.09726	0.6
267.12268	0.4
271.20633	0.3
273.14966	0.4
275.12891	4.8
275.16443	1.2
276.13312	0.5
277.14508	0.9
280.13287	0.4
287.12909	0.4
289.11203	0.4
289.14496	7.0
289.18192	3.3
289.21701	23.1
290.15060	0.7
290.18954	0.5
290.22092	2.7
291.16022	0.3
293.13971	41.6
294.14301	3.9
303.12543	0.6
303.15942	0.8
304.13177	0.7
305.13803	0.8
309.13480	0.4
309.16946	0.4
313.17960	0.4
317.14059	0.5
319.15646	1.5
321.13483	1.0
322.14240	9.3
323.14526	1.2
331.15686	0.6
331.19183	2.5
332.16168	0.6
333.20471	0.5
337.16562	22.8
338.16919	2.6
345.20773	1.0
347.18814	0.5
357.16757	0.4
359.18878	0.5
363.21683	1.1
373.20276	0.9
375.18140	12.9
376.18600	1.7
387.21954	1.9
391.21274	0.9
392.18466	1.2
401.23560	1.7
429.22916	3.4
430.23218	0.5
443.24557	0.7
444.25003	0.4
461.25461	100.0
462.25778	16.3
481.26193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.5
70.98346	0.2
71.01377	0.4
80.60318	0.2
81.03432	0.2
83.01399	1.3
89.02418	0.2
89.03980	0.2
91.01861	0.2
97.02954	0.2
97.51078	0.2
107.01396	2.1
107.05057	0.5
109.02961	1.4
111.89590	0.2
121.02998	0.3
123.04522	0.4
125.02454	2.9
127.05486	0.2
131.05046	2.3
133.02954	1.4
135.00890	0.6
137.02446	0.5
143.05020	0.5
145.06653	0.5
147.04518	0.6
149.02478	0.6
149.04567	0.2
149.06102	0.6
151.00394	5.1
151.04016	2.5
153.01939	0.5
155.05043	2.6
157.02969	2.2
161.02419	0.5
163.04086	0.2
165.01990	0.3
171.04532	1.0
173.02423	0.2
173.06085	2.4
174.03227	1.2
175.04018	10.0
176.01132	0.2
176.04361	0.5
177.01961	2.2
179.03589	0.2
183.78983	0.2
187.04057	0.6
189.05615	1.0
190.02692	0.3
190.77406	0.2
191.03526	2.0
191.05470	0.4
193.05087	1.5
198.03212	0.5
199.04015	20.9
200.04414	1.3
201.01956	2.3
203.03493	0.4
203.07115	0.3
204.04326	0.2
205.05084	0.2
213.05620	0.2
215.03516	0.9
217.05051	5.0
217.07138	0.3
218.05421	0.2
219.02954	0.8
231.02948	0.7
232.03717	0.2
233.04559	1.1
241.04971	0.4
242.02135	0.8
243.02972	76.7
244.03305	5.3
257.04492	0.2
259.02472	1.7
260.03168	0.5
261.04022	100.0
262.01569	0.3
262.04367	6.6
267.02890	0.2
282.01895	0.4
285.03967	1.0
289.07135	0.7
293.08737	0.2
300.02567	0.2
301.03485	0.8
303.05103	10.3
304.05402	0.7
306.07492	0.2
313.03589	0.3
357.06140	4.2
358.06277	0.3
375.07230	1.9
399.07510	0.2
417.08295	7.7
418.08636	0.7
435.09320	3.9
436.09772	0.3
459.09283	2.1
459.18997	0.2
477.10382	47.7
478.10687	5.3
519.11407	69.0
520.11731	8.4
520.19629	0.4
575.97211	0.2
725.65820	0.2
740.71674	0.2
799.44641	0.3
979.42816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	12.3
72.99304	3.0
73.02938	1.4
75.00866	2.1
78.95888	0.7
81.03452	1.2
83.01398	1.6
83.05026	4.9
85.02975	2.7
87.00876	3.2
88.98811	4.7
89.02451	11.4
95.01416	1.3
95.05029	0.9
97.02970	1.8
99.00883	1.2
101.02458	8.7
113.02453	6.7
119.03490	2.6
125.02473	6.4
135.08159	0.8
137.02412	1.2
143.03531	1.6
161.04556	2.2
163.11322	3.3
165.12840	1.7
165.84589	0.6
169.33809	0.7
179.05560	3.6
181.12321	0.7
191.10825	1.1
207.10315	1.0
209.11841	100.0
210.12219	6.3
217.07095	1.0
221.06497	0.7
225.11412	1.3
227.12865	9.7
235.08255	4.2
241.77605	0.7
251.12932	1.0
253.09116	0.8
259.08374	0.7
259.15469	1.2
277.21729	41.6
278.22040	5.0
287.07751	1.1
301.09268	0.7
305.08749	0.8
323.09839	1.4
341.10101	0.7
369.84778	0.8
379.12488	12.0
380.12802	1.6
385.45535	0.8
397.13519	34.1
398.13907	2.6
415.14557	7.0
589.25232	4.0
607.26031	5.4
608.26898	0.7
657.35034	1.9
675.36420	1.7
784.06873	0.7
937.85638	1.0
977.49579	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	977.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	1.1
71.01386	15.8
72.99309	1.9
73.02947	2.7
75.00876	0.8
78.95910	0.8
80.02682	1.4
81.03468	2.8
83.01407	2.3
83.05045	5.7
84.02205	0.7
85.02964	4.0
87.00891	3.9
89.02453	11.7
93.03490	1.3
95.01434	1.9
95.05040	1.1
96.96040	0.8
97.02973	2.4
98.20660	1.7
99.00928	1.8
101.02464	13.3
109.02934	1.3
109.06627	1.2
111.00877	1.2
111.04552	0.9
111.08157	8.3
112.08484	0.8
113.02465	8.2
119.03507	2.7
121.02946	0.9
123.04556	1.1
125.02461	8.3
127.07667	1.0
131.03590	1.0
135.08067	0.9
137.02489	2.1
137.99567	0.8
143.03519	2.3
161.02505	1.0
161.04582	3.3
163.11298	5.8
165.12860	3.4
169.12341	3.9
171.10306	1.7
179.05594	4.2
181.12364	2.2
191.05688	2.4
191.10782	1.6
192.73083	0.8
193.12337	1.0
193.60298	0.8
197.11855	45.6
198.12260	4.1
199.13470	3.7
209.11835	100.0
210.12180	5.4
211.13416	7.9
212.13640	0.9
221.06715	2.1
227.12892	15.7
229.60120	1.0
235.08221	3.9
253.09267	1.8
263.20157	2.0
265.18201	1.6
287.07758	2.1
289.07062	1.8
289.18036	1.4
291.19684	14.7
292.20062	1.3
293.21057	1.1
307.15784	0.9
309.20709	91.5
310.21033	8.2
319.13181	1.1
323.10013	1.4
341.23334	1.4
341.89725	0.9
379.12454	4.3
397.13544	41.1
398.13861	3.5
415.14606	17.6
416.15182	1.1
577.25171	1.0
589.25146	1.6
602.86615	0.9
607.26349	3.8
608.26349	1.2
689.34186	3.2
690.33704	1.3
707.34729	5.0
708.35760	1.0
914.25018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	1.5
69.03464	4.4
70.00590	4.1
71.01389	5.8
72.99329	0.8
73.32330	0.7
77.03951	0.8
78.95899	0.9
80.02672	1.2
81.03463	9.5
83.01402	17.6
83.05032	5.7
83.66305	0.7
84.02185	1.4
85.00387	0.8
85.02969	2.1
87.00865	1.1
89.02454	3.5
91.05554	0.9
93.03471	6.9
95.01414	3.8
95.05044	6.4
97.02965	9.0
97.06606	1.1
99.04492	3.7
101.02446	4.0
107.01337	1.2
107.05042	3.5
108.02195	1.1
109.02982	13.9
111.00845	0.9
113.02461	1.5
121.02981	10.2
122.03773	4.6
123.00877	1.5
123.04568	7.7
124.01672	3.1
125.02466	100.0
126.02818	1.3
131.05081	1.0
133.02985	2.9
135.04578	6.3
137.02469	88.4
138.02888	3.5
139.04070	4.4
141.01968	1.6
141.53447	0.8
146.03763	35.4
147.04465	3.4
149.02493	4.2
149.06100	1.2
150.03270	4.0
150.96111	0.7
151.00262	0.8
151.04039	9.4
153.01868	1.0
154.02715	0.8
156.05818	1.0
158.03749	1.6
159.04550	13.3
160.05373	4.7
161.02458	5.1
161.06076	3.7
162.03226	3.9
163.00394	3.3
163.04015	2.1
163.11320	3.5
164.01178	22.5
165.01956	64.4
165.12827	1.5
166.02350	1.9
167.03519	31.6
168.03851	1.1
171.04517	1.2
172.05316	7.8
173.02409	1.0
173.04843	0.9
173.06090	6.7
174.03244	17.9
174.06856	4.0
175.04008	6.4
175.07549	0.8
176.04846	4.4
177.01959	11.9
177.05412	1.2
179.03522	18.4
180.03851	1.4
181.04987	1.2
184.05270	1.6
185.02478	1.5
185.06058	3.9
186.06873	4.3
187.04019	9.0
187.07611	1.0
188.03262	1.4
188.04814	14.2
189.01883	0.8
189.05573	2.7
190.02689	2.2
190.12213	0.9
191.03542	1.6
191.05673	2.8
196.05296	1.8
197.06041	1.7
199.04089	1.3
199.07610	2.5
200.04805	7.1
200.08377	0.8
201.05595	6.7
202.06285	3.1
203.03493	1.3
203.07112	2.6
204.04314	7.2
205.04977	1.6
209.06079	3.0
209.11845	43.5
210.06830	2.7
210.12196	3.8
211.04028	3.2
211.07629	1.6
211.13358	2.3
212.04825	8.6
213.01938	1.2
213.05472	3.0
214.06378	1.6
217.05042	1.0
217.12389	1.4
222.06943	1.3
223.07675	2.1
224.04832	2.2
225.05586	6.6
226.06378	5.1
227.07025	2.4
227.12932	2.1
228.07915	1.3
236.04755	1.5
237.05582	2.3
239.07085	2.4
240.07944	1.1
241.01393	3.0
241.12296	1.2
243.13921	1.9
244.07413	1.9
245.08107	2.4
245.11925	1.0
251.07164	4.6
252.07823	4.3
253.09244	1.5
253.12299	1.4
254.05844	1.5
255.14006	3.5
256.03696	3.2
257.04337	1.1
265.08945	1.7
267.06531	1.0
268.07455	2.6
269.04825	1.3
269.08179	2.0
269.11792	6.5
269.15414	2.3
270.05823	1.2
270.08942	5.0
270.12439	2.2
271.06238	3.9
271.13382	41.3
272.13745	4.2
278.05945	1.2
279.06506	0.9
281.11908	1.1
283.13385	5.9
285.14963	5.8
287.05887	1.4
287.12939	2.8
288.06235	1.3
289.07181	8.6
289.14447	13.4
293.08145	1.0
294.08969	5.2
295.13361	7.1
297.14957	8.0
299.12949	14.7
299.16287	1.1
300.13385	1.2
301.14447	7.4
303.15912	0.9
309.14996	2.8
311.12796	1.6
312.10135	1.0
312.13611	1.2
313.14474	28.6
314.14700	2.8
315.16037	6.6
317.13986	7.0
320.06824	1.5
325.14429	19.0
326.14767	1.6
327.16107	2.1
331.15402	5.8
335.16428	4.5
337.14465	9.2
338.14807	2.5
341.14059	1.2
343.15482	10.4
351.16052	2.5
353.13812	1.2
353.17566	3.0
355.15649	3.9
369.17093	2.0
377.17590	6.2
379.15393	3.8
391.15210	1.1
391.19656	1.0
393.17142	3.3
395.18622	6.6
396.18945	1.6
401.17609	2.9
411.18350	1.1
413.19681	2.4
419.18668	17.9
420.19028	1.6
437.19629	11.1
438.19919	1.8
445.16763	2.8
455.20755	1.5
463.17569	3.5
481.18857	2.0
553.22675	1.5
567.24603	6.8
579.24847	1.2
591.24597	1.7
596.06451	0.9
673.29260	4.6
717.28033	3.5
759.36682	2.3
761.38251	2.3
777.37402	23.1
778.38104	5.8
779.38861	1.0
789.37268	10.4
790.37665	2.2
801.37164	8.6
802.38135	1.4
807.38287	12.2
808.38934	3.0
839.40820	1.7
843.38702	1.5
859.42072	1.2
883.41577	11.7
884.41431	2.5
901.40900	1.3
909.39514	7.4
910.40875	1.5
927.40454	91.4
928.40723	23.6
933.43506	1.1
945.41730	82.0
946.42120	23.3
959.43024	20.1
960.42767	6.2
977.44232	41.5
978.44354	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	975.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	4.0
71.73312	0.4
77.48318	0.4
79.05536	1.1
83.05016	0.9
85.06608	1.0
87.04510	0.9
88.98820	1.0
95.08168	0.4
96.96021	1.2
109.02984	1.0
109.06643	0.6
111.04533	45.3
111.25547	0.4
112.04881	1.5
113.06101	15.0
116.92900	1.0
122.03742	0.4
123.04509	1.4
123.08167	3.7
139.04057	1.1
153.05608	0.5
153.09235	0.6
165.05586	2.9
175.07584	0.5
175.11328	1.0
177.09209	1.8
179.07187	3.3
181.08643	1.2
191.10762	0.7
193.08621	0.5
205.08672	0.6
206.09431	0.5
207.06731	0.7
208.07472	0.5
212.06976	0.8
219.06729	0.6
219.10289	4.6
219.13773	0.6
221.08197	6.2
221.15446	0.5
222.08868	2.9
223.09715	1.8
233.08104	0.8
233.11798	0.6
235.09723	1.9
245.15477	2.2
247.09738	1.7
247.13441	0.6
251.12897	1.2
261.11343	0.6
261.14957	2.1
263.12827	0.9
265.14774	1.1
269.65811	0.5
272.46024	0.5
275.12930	4.1
277.10867	1.5
287.16452	0.7
289.14471	11.4
290.15012	1.4
291.16022	1.0
303.16199	0.8
317.14008	1.0
317.17542	0.7
331.15512	8.4
331.19147	1.9
332.15927	1.2
333.17053	0.8
333.20728	1.1
343.22949	3.2
345.17151	0.9
347.18674	0.6
373.19971	0.6
375.18137	9.3
376.18427	1.2
387.21765	17.4
388.22110	2.2
401.23715	0.8
429.22809	3.2
430.22879	1.0
443.24448	1.4
444.25201	0.8
461.25436	100.0
462.25766	15.0
476.24066	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	973.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	14.8
69.03452	0.7
70.67160	0.6
70.74439	0.7
70.88282	0.6
71.05035	1.0
71.73058	1.2
79.01914	0.7
83.05069	0.8
90.38542	0.7
99.08180	2.0
101.06091	1.2
109.02972	1.1
109.06600	4.1
112.49307	0.7
116.92852	1.2
119.59248	0.7
123.04478	0.7
125.06104	100.0
126.06419	4.1
127.07676	31.3
128.08060	0.8
133.68051	0.7
136.50497	0.8
137.02425	0.8
137.09720	4.5
149.06087	0.9
151.04028	2.7
152.04829	0.9
155.99307	0.7
163.04117	1.3
165.05484	0.9
171.06667	1.1
179.03612	1.8
179.07230	1.2
180.04327	1.4
181.08676	1.4
191.10739	1.1
193.08728	3.1
193.12317	0.9
205.08673	1.4
205.12273	0.9
206.09494	1.1
207.10242	3.0
209.08206	2.1
212.06950	1.2
219.06631	5.1
219.13933	1.2
220.07098	1.1
221.08235	1.5
221.11891	1.0
226.08424	1.0
233.08182	2.0
233.11806	1.6
234.08957	1.4
235.09760	17.0
236.10371	3.0
245.11884	1.6
247.09766	3.2
247.13405	8.5
249.11372	3.2
249.14963	1.5
254.21767	0.7
259.16983	1.8
261.11191	1.5
261.15060	1.8
262.08420	1.6
263.12802	3.6
273.18384	0.9
275.12903	2.1
275.16489	2.3
277.10880	6.5
278.11395	2.0
287.16568	1.3
289.14590	2.4
291.15973	2.3
300.38705	0.8
303.16064	13.7
303.19684	6.0
304.16611	2.0
305.17630	0.9
315.16107	1.0
317.17633	3.0
331.15607	1.6
331.19193	1.7
333.17123	8.2
334.17526	1.7
335.18747	0.8
337.74493	0.7
345.17084	1.6
345.20673	6.0
346.17896	2.1
357.24332	0.9
361.20184	0.8
373.20380	1.1
389.19705	46.5
390.20105	5.7
401.23471	7.5
413.27319	0.9
415.25308	4.3
443.24445	10.3
457.25989	3.5
458.26889	1.8
459.27661	1.9
475.27017	97.6
476.27390	15.1
552.02014	0.7
570.25891	0.8
691.34802	0.8
745.39905	3.7
802.42188	1.0
831.43384	7.3
832.43823	2.5
844.44666	1.1
887.46063	3.1
888.46326	1.4
913.50757	1.5
973.53278	49.7
974.53705	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	971.229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57839	1.5
81.03445	0.4
83.01367	0.2
89.04002	0.3
91.01910	0.4
93.03481	0.7
95.05022	0.8
95.51065	0.2
103.05566	0.6
108.02178	0.5
109.02967	17.2
110.03300	0.5
117.03476	0.6
119.05043	1.0
121.02975	0.7
122.03703	0.3
123.04540	10.4
124.04890	0.4
125.02441	0.6
131.05063	0.2
133.02023	0.3
133.02975	3.3
134.03647	0.2
135.00876	0.4
135.04561	0.4
137.02483	0.3
145.02971	1.2
147.04549	3.0
149.02480	0.6
150.03262	0.9
151.00502	0.2
151.04027	5.2
159.04549	1.2
160.93422	0.2
161.02460	5.6
162.03136	0.7
163.04022	0.6
174.03201	0.2
175.04059	0.5
176.01224	0.7
177.01950	19.6
178.02356	0.9
179.03633	0.2
186.39056	0.2
187.04079	1.3
189.01949	43.8
190.00130	0.2
190.02693	9.5
191.03513	9.6
191.05312	0.4
192.03783	0.5
201.01897	0.4
203.03514	4.9
204.03787	0.4
216.00639	6.6
217.01421	35.1
218.02000	3.3
219.02988	13.0
220.03320	1.0
222.01726	0.2
227.07074	0.2
231.02982	11.9
231.10112	0.3
232.03633	1.2
233.04526	1.1
243.02945	0.4
245.08078	0.4
252.34663	0.2
256.03760	0.2
261.03897	0.3
275.09317	1.0
281.04517	0.9
289.07129	1.6
297.07684	0.7
299.05634	0.4
305.04718	0.2
323.05557	2.0
327.05005	0.2
341.06668	80.6
342.07025	7.2
342.10568	0.1
357.13358	0.2
449.14597	0.3
450.15128	0.2
451.10330	100.0
452.10669	12.9
495.27737	0.2
495.35217	0.2
544.08185	0.2
567.17810	0.2
726.43146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	3.1
71.71927	0.6
72.99310	0.7
75.00893	0.5
83.01384	2.3
85.02962	2.6
87.90818	0.3
91.01909	0.5
93.03471	1.3
95.01377	1.0
99.00893	0.8
103.00369	0.6
107.00695	0.7
107.01405	9.6
107.24046	0.4
109.02972	4.5
111.00901	1.6
113.02474	2.6
119.01395	0.9
121.02969	7.7
122.03317	0.7
123.00884	0.5
125.02457	0.9
127.46114	0.3
132.09506	0.3
135.00885	0.8
136.98807	0.5
137.02451	0.9
139.00404	3.4
139.04013	1.1
149.02489	1.7
151.00392	33.8
152.00772	1.3
153.01967	0.5
155.05067	0.4
157.06624	0.5
159.04546	1.0
161.02419	0.4
163.00398	5.3
164.01193	0.6
164.98347	0.5
165.01906	0.3
165.99065	0.5
166.99901	2.7
167.05070	0.5
169.01433	3.2
171.04463	1.0
175.02588	0.6
175.03912	0.7
178.99878	17.4
180.00183	0.7
183.04510	1.2
185.02487	0.4
187.04044	1.0
189.05495	0.5
190.99869	0.7
192.00600	0.5
193.01559	0.6
193.03557	1.6
194.99352	0.9
199.04027	2.1
201.05615	1.3
203.03488	0.8
206.99385	0.5
208.00131	0.5
211.04028	2.7
212.04713	0.4
213.01836	0.5
215.03482	0.8
217.05089	1.0
226.02748	0.6
227.03477	2.3
228.04123	0.6
229.05052	2.0
231.02939	0.7
239.03532	0.9
240.04213	0.4
243.02977	2.3
245.04495	4.4
255.02946	5.7
256.03424	1.1
257.04584	0.5
266.02078	0.6
271.02426	5.5
272.02988	0.8
273.04031	7.2
283.02490	2.1
284.02893	0.4
287.02072	0.6
299.01984	10.5
300.02640	1.2
301.03540	100.0
302.03909	7.9
315.01550	0.4
316.02084	0.6
317.03021	30.6
318.03336	3.0
451.52762	0.3
477.06738	89.1
478.07104	9.6
493.06241	20.2
494.06396	2.1
746.76544	0.4
753.17450	0.4
992.29279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	3.1
71.71927	0.6
72.99310	0.7
75.00893	0.5
83.01384	2.3
85.02962	2.6
87.90818	0.3
91.01909	0.5
93.03471	1.3
95.01377	1.0
99.00893	0.8
103.00369	0.6
107.00695	0.7
107.01405	9.6
107.24046	0.4
109.02972	4.5
111.00901	1.6
113.02474	2.6
119.01395	0.9
121.02969	7.7
122.03317	0.7
123.00884	0.5
125.02457	0.9
127.46114	0.3
132.09506	0.3
135.00885	0.8
136.98807	0.5
137.02451	0.9
139.00404	3.4
139.04013	1.1
149.02489	1.7
151.00392	33.8
152.00772	1.3
153.01967	0.5
155.05067	0.4
157.06624	0.5
159.04546	1.0
161.02419	0.4
163.00398	5.3
164.01193	0.6
164.98347	0.5
165.01906	0.3
165.99065	0.5
166.99901	2.7
167.05070	0.5
169.01433	3.2
171.04463	1.0
175.02588	0.6
175.03912	0.7
178.99878	17.4
180.00183	0.7
183.04510	1.2
185.02487	0.4
187.04044	1.0
189.05495	0.5
190.99869	0.7
192.00600	0.5
193.01559	0.6
193.03557	1.6
194.99352	0.9
199.04027	2.1
201.05615	1.3
203.03488	0.8
206.99385	0.5
208.00131	0.5
211.04028	2.7
212.04713	0.4
213.01836	0.5
215.03482	0.8
217.05089	1.0
226.02748	0.6
227.03477	2.3
228.04123	0.6
229.05052	2.0
231.02939	0.7
239.03532	0.9
240.04213	0.4
243.02977	2.3
245.04495	4.4
255.02946	5.7
256.03424	1.1
257.04584	0.5
266.02078	0.6
271.02426	5.5
272.02988	0.8
273.04031	7.2
283.02490	2.1
284.02893	0.4
287.02072	0.6
299.01984	10.5
300.02640	1.2
301.03540	100.0
302.03909	7.9
315.01550	0.4
316.02084	0.6
317.03021	30.6
318.03336	3.0
451.52762	0.3
477.06738	89.1
478.07104	9.6
493.06241	20.2
494.06396	2.1
746.76544	0.4
753.17450	0.4
992.29279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	61.5
71.72164	25.5
80.96518	17.3
101.02480	27.0
109.06678	19.7
119.03496	20.5
125.02475	26.3
147.11916	15.8
171.10225	21.9
180.95741	18.3
207.10286	100.0
209.11856	60.1
225.11380	38.9
277.21716	63.7
289.28326	19.2
397.13242	44.7
403.57590	19.9
411.53992	22.2
415.14651	28.6
451.99164	16.7
605.89093	19.3
618.67419	19.0
709.48962	19.9
712.92285	24.1
748.70880	18.0
883.47083	44.2
884.48114	41.8
885.47931	21.9
965.44635	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32947	15.0
69.84552	100.0
71.01411	29.4
78.51990	13.9
89.02485	19.3
109.06562	19.0
111.04501	18.1
115.44457	14.7
117.65411	12.5
118.23105	13.8
138.07091	14.4
149.52112	15.1
207.10280	61.5
225.11287	39.2
277.21722	41.1
379.11832	15.9
397.13583	61.5
883.47479	37.5
884.47247	22.5
964.52454	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	965.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	0.1
70.28676	0.3
71.01397	0.3
71.05040	0.1
74.36475	0.1
78.95922	0.1
83.05017	0.2
85.02952	0.1
89.02471	0.1
93.03442	0.1
95.42185	0.1
96.96014	0.2
101.02473	0.2
107.76225	0.1
109.02940	0.1
109.06670	0.1
111.08169	1.2
112.08477	0.1
125.02451	0.5
126.51003	0.1
129.01953	0.3
137.02454	0.2
151.04102	0.1
163.11307	0.2
165.12862	21.1
166.13187	1.3
171.10355	0.3
181.12370	0.2
183.13910	92.1
184.14247	4.8
191.05771	0.1
191.10793	0.3
197.11977	0.1
209.11836	6.5
210.12181	0.5
225.11409	0.2
227.12888	100.0
228.13217	6.0
235.08322	0.1
253.09354	0.2
289.07281	0.2
341.23422	0.3
342.23807	0.1
397.13400	0.1
445.20828	0.5
501.62637	0.1
561.14972	0.1
574.48065	0.1
637.32092	0.3
947.42694	0.1
965.43158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	2.2
68.99812	1.1
69.03449	3.6
71.01402	7.9
71.72128	1.4
72.99288	1.7
73.02965	1.7
77.03960	1.9
78.95901	2.3
81.03465	7.0
83.01393	20.4
83.05038	2.5
85.02966	4.0
87.00884	1.5
88.98802	2.0
89.02445	2.6
89.03940	1.0
93.03471	7.9
95.01379	4.8
95.05050	3.9
96.96022	6.2
96.96967	1.7
97.02964	10.9
99.00922	2.1
99.04525	4.9
101.02469	4.7
107.05035	3.4
108.02177	2.3
109.02975	15.1
109.06603	6.6
111.00902	11.5
113.02469	2.4
120.02219	1.0
121.02974	9.8
122.03729	3.8
122.95658	0.9
123.00894	2.5
123.04546	6.3
124.01660	3.8
125.02466	100.0
125.09746	1.2
126.02801	2.9
130.04283	1.7
130.09702	0.9
133.02982	3.7
135.04590	4.4
137.02469	87.7
138.02850	1.9
139.00389	12.0
139.04015	5.3
141.01987	2.6
142.02710	1.4
146.03761	30.2
147.04509	3.9
149.02432	6.2
150.03255	5.4
151.04073	8.3
153.01950	4.0
159.04547	16.9
160.05267	3.7
161.02454	9.5
161.06073	4.9
162.03226	3.2
163.00433	4.3
163.04013	2.8
163.11261	4.4
164.01183	21.3
165.01955	53.5
166.02411	3.5
167.03528	27.9
168.03833	1.8
169.06519	1.0
171.04468	1.0
171.10292	2.6
172.05338	7.9
173.02328	0.9
173.06081	7.2
174.03229	15.1
174.06810	3.5
175.04039	8.1
175.07610	1.2
176.04732	2.6
177.01958	15.2
177.05385	0.9
178.02403	1.4
179.03508	17.9
181.05019	1.0
181.12366	2.5
183.04539	1.8
184.05296	1.1
185.06044	4.1
186.06898	2.6
187.04031	9.5
188.04803	12.8
189.01952	1.6
189.05481	2.9
190.02713	2.7
191.03540	1.7
191.05638	2.8
192.04355	1.5
196.05225	1.6
197.06105	1.7
198.06834	1.6
199.03996	1.8
199.07597	2.1
200.04803	6.7
201.05560	6.1
202.06248	1.8
203.03497	3.2
203.07077	2.5
204.04317	6.8
205.05202	1.3
207.10298	15.2
207.12210	1.7
209.06117	3.1
209.11873	10.1
210.06860	1.7
211.04001	3.8
211.13356	3.9
212.04846	6.2
213.05487	3.4
213.09291	1.3
214.06262	2.1
215.03569	1.8
216.04370	2.2
217.01563	1.3
217.05055	1.8
218.05817	1.3
219.02940	1.1
219.06647	1.0
223.07632	1.8
224.04823	1.9
225.05659	5.4
225.11217	7.1
226.06241	3.2
227.03452	1.6
227.07028	1.3
227.12912	2.0
228.04189	1.2
229.08592	1.0
237.05545	2.1
238.06439	1.0
239.07169	1.5
240.07748	1.1
241.05127	1.6
241.12277	1.1
243.02849	1.6
243.13969	2.3
245.08147	2.4
245.11894	1.1
249.05544	0.9
251.07175	2.0
252.07776	1.8
253.08868	1.2
255.13939	2.2
257.15366	1.1
259.06198	1.2
265.08755	1.6
267.13892	1.2
268.07248	2.5
269.11826	6.3
269.15402	1.3
270.08926	2.0
270.12656	1.9
271.13391	29.8
271.16360	1.9
272.13614	2.3
283.13510	6.1
285.04016	1.5
285.15036	4.8
287.05585	5.1
287.12848	3.5
288.06296	3.4
288.13474	1.2
289.07178	7.3
289.14493	8.4
292.07245	1.9
294.08847	3.5
295.13306	2.7
297.11710	1.7
297.14987	4.7
299.12906	8.7
301.14407	3.6
303.05112	2.4
309.14969	2.5
311.12958	4.8
311.16217	1.0
312.13516	1.1
313.14450	18.2
314.14810	1.8
315.15967	2.8
317.13947	4.2
323.12308	1.0
325.07095	1.8
325.14462	12.9
329.13919	2.0
331.15344	5.2
335.12802	1.6
335.16537	2.2
337.14410	8.8
341.06757	1.2
343.15594	6.4
351.16003	3.7
353.13855	2.1
353.17657	1.9
355.15540	2.6
364.10138	1.0
375.16049	1.4
377.17700	2.2
379.15662	2.0
393.17010	2.2
395.18686	3.5
397.16803	1.6
401.17761	1.6
417.17181	5.3
419.18594	16.7
420.18973	2.0
435.18152	2.6
437.19638	9.6
438.19781	2.1
461.20477	5.1
463.17697	7.8
481.18716	2.4
525.22522	1.8
565.22937	1.7
567.24536	6.3
568.24835	1.4
579.24384	2.3
591.24353	3.8
597.25568	1.8
670.75818	1.1
671.26929	2.0
673.29181	5.5
674.28827	2.1
691.30017	1.8
699.26843	2.1
717.27667	4.1
733.34375	2.4
734.35022	1.2
749.34442	1.6
757.34863	2.2
759.35791	2.4
761.34021	2.6
769.34583	1.6
775.35748	9.9
776.36371	5.7
777.37286	2.0
781.35120	1.3
787.35596	9.9
788.36646	1.7
799.35425	7.0
800.36041	2.5
805.36792	7.3
806.37256	3.5
817.37030	2.2
839.40656	1.2
841.37274	1.7
857.40753	1.4
863.38593	3.5
881.39307	8.4
882.39514	3.7
899.37347	4.3
900.37549	1.4
907.37561	7.7
908.37927	2.7
917.37115	1.3
925.38873	27.0
926.39362	8.9
943.40051	15.1
944.40540	3.9
961.42072	7.3
962.42218	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	961.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	2.2
68.99812	1.1
69.03449	3.6
71.01402	7.9
71.72128	1.4
72.99288	1.7
73.02965	1.7
77.03960	1.9
78.95901	2.3
81.03465	7.0
83.01393	20.4
83.05038	2.5
85.02966	4.0
87.00884	1.5
88.98802	2.0
89.02445	2.6
89.03940	1.0
93.03471	7.9
95.01379	4.8
95.05050	3.9
96.96022	6.2
96.96967	1.7
97.02964	10.9
99.00922	2.1
99.04525	4.9
101.02469	4.7
107.05035	3.4
108.02177	2.3
109.02975	15.1
109.06603	6.6
111.00902	11.5
113.02469	2.4
120.02219	1.0
121.02974	9.8
122.03729	3.8
122.95658	0.9
123.00894	2.5
123.04546	6.3
124.01660	3.8
125.02466	100.0
125.09746	1.2
126.02801	2.9
130.04283	1.7
130.09702	0.9
133.02982	3.7
135.04590	4.4
137.02469	87.7
138.02850	1.9
139.00389	12.0
139.04015	5.3
141.01987	2.6
142.02710	1.4
146.03761	30.2
147.04509	3.9
149.02432	6.2
150.03255	5.4
151.04073	8.3
153.01950	4.0
159.04547	16.9
160.05267	3.7
161.02454	9.5
161.06073	4.9
162.03226	3.2
163.00433	4.3
163.04013	2.8
163.11261	4.4
164.01183	21.3
165.01955	53.5
166.02411	3.5
167.03528	27.9
168.03833	1.8
169.06519	1.0
171.04468	1.0
171.10292	2.6
172.05338	7.9
173.02328	0.9
173.06081	7.2
174.03229	15.1
174.06810	3.5
175.04039	8.1
175.07610	1.2
176.04732	2.6
177.01958	15.2
177.05385	0.9
178.02403	1.4
179.03508	17.9
181.05019	1.0
181.12366	2.5
183.04539	1.8
184.05296	1.1
185.06044	4.1
186.06898	2.6
187.04031	9.5
188.04803	12.8
189.01952	1.6
189.05481	2.9
190.02713	2.7
191.03540	1.7
191.05638	2.8
192.04355	1.5
196.05225	1.6
197.06105	1.7
198.06834	1.6
199.03996	1.8
199.07597	2.1
200.04803	6.7
201.05560	6.1
202.06248	1.8
203.03497	3.2
203.07077	2.5
204.04317	6.8
205.05202	1.3
207.10298	15.2
207.12210	1.7
209.06117	3.1
209.11873	10.1
210.06860	1.7
211.04001	3.8
211.13356	3.9
212.04846	6.2
213.05487	3.4
213.09291	1.3
214.06262	2.1
215.03569	1.8
216.04370	2.2
217.01563	1.3
217.05055	1.8
218.05817	1.3
219.02940	1.1
219.06647	1.0
223.07632	1.8
224.04823	1.9
225.05659	5.4
225.11217	7.1
226.06241	3.2
227.03452	1.6
227.07028	1.3
227.12912	2.0
228.04189	1.2
229.08592	1.0
237.05545	2.1
238.06439	1.0
239.07169	1.5
240.07748	1.1
241.05127	1.6
241.12277	1.1
243.02849	1.6
243.13969	2.3
245.08147	2.4
245.11894	1.1
249.05544	0.9
251.07175	2.0
252.07776	1.8
253.08868	1.2
255.13939	2.2
257.15366	1.1
259.06198	1.2
265.08755	1.6
267.13892	1.2
268.07248	2.5
269.11826	6.3
269.15402	1.3
270.08926	2.0
270.12656	1.9
271.13391	29.8
271.16360	1.9
272.13614	2.3
283.13510	6.1
285.04016	1.5
285.15036	4.8
287.05585	5.1
287.12848	3.5
288.06296	3.4
288.13474	1.2
289.07178	7.3
289.14493	8.4
292.07245	1.9
294.08847	3.5
295.13306	2.7
297.11710	1.7
297.14987	4.7
299.12906	8.7
301.14407	3.6
303.05112	2.4
309.14969	2.5
311.12958	4.8
311.16217	1.0
312.13516	1.1
313.14450	18.2
314.14810	1.8
315.15967	2.8
317.13947	4.2
323.12308	1.0
325.07095	1.8
325.14462	12.9
329.13919	2.0
331.15344	5.2
335.12802	1.6
335.16537	2.2
337.14410	8.8
341.06757	1.2
343.15594	6.4
351.16003	3.7
353.13855	2.1
353.17657	1.9
355.15540	2.6
364.10138	1.0
375.16049	1.4
377.17700	2.2
379.15662	2.0
393.17010	2.2
395.18686	3.5
397.16803	1.6
401.17761	1.6
417.17181	5.3
419.18594	16.7
420.18973	2.0
435.18152	2.6
437.19638	9.6
438.19781	2.1
461.20477	5.1
463.17697	7.8
481.18716	2.4
525.22522	1.8
565.22937	1.7
567.24536	6.3
568.24835	1.4
579.24384	2.3
591.24353	3.8
597.25568	1.8
670.75818	1.1
671.26929	2.0
673.29181	5.5
674.28827	2.1
691.30017	1.8
699.26843	2.1
717.27667	4.1
733.34375	2.4
734.35022	1.2
749.34442	1.6
757.34863	2.2
759.35791	2.4
761.34021	2.6
769.34583	1.6
775.35748	9.9
776.36371	5.7
777.37286	2.0
781.35120	1.3
787.35596	9.9
788.36646	1.7
799.35425	7.0
800.36041	2.5
805.36792	7.3
806.37256	3.5
817.37030	2.2
839.40656	1.2
841.37274	1.7
857.40753	1.4
863.38593	3.5
881.39307	8.4
882.39514	3.7
899.37347	4.3
900.37549	1.4
907.37561	7.7
908.37927	2.7
917.37115	1.3
925.38873	27.0
926.39362	8.9
943.40051	15.1
944.40540	3.9
961.42072	7.3
962.42218	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	959.251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61693	1.3
71.01383	1.3
73.02950	0.3
77.03969	0.4
79.01898	0.2
81.02731	0.1
81.03483	0.2
83.01410	0.2
85.02945	0.7
87.00886	0.2
89.02464	1.1
93.03485	0.5
94.31253	0.1
99.00893	0.4
101.02478	0.5
105.03475	0.9
107.01399	0.6
109.02968	0.7
110.03319	0.2
113.02438	0.2
114.97668	0.2
117.10134	0.2
117.98873	0.1
119.05009	0.2
121.02962	0.7
123.04510	0.2
123.08159	0.4
125.02501	0.9
125.06076	0.6
126.02815	0.2
131.05067	0.3
133.02960	0.4
135.04561	0.4
137.02495	0.2
147.04559	0.2
149.02463	1.9
149.04568	0.5
150.02847	0.2
151.00381	0.7
151.04008	0.4
152.00781	0.2
153.02040	0.2
153.66273	0.2
155.05008	0.3
159.04526	0.2
161.02469	0.7
163.00388	0.2
163.04012	0.9
165.01953	0.2
167.07135	0.3
172.04761	0.2
172.29485	0.1
173.06078	0.8
174.03177	0.2
174.06598	0.4
175.04004	1.3
176.04376	0.6
177.01920	0.6
177.04649	0.2
179.03500	0.4
189.05612	0.4
190.02734	0.5
191.03508	0.9
191.05621	3.6
192.05940	0.3
193.05029	0.2
199.03984	1.2
200.04276	0.9
201.01958	0.2
201.04520	0.2
202.06387	0.3
203.03554	0.5
203.10706	0.2
204.04248	0.3
207.10222	0.3
216.00499	0.2
217.05060	12.1
218.05836	17.2
219.06319	1.2
227.03455	0.3
228.04210	0.3
229.05019	0.3
230.05853	0.4
231.10245	0.3
232.07394	1.1
233.08180	2.3
243.02975	3.3
243.10155	0.3
244.03299	2.6
245.03564	1.3
245.08110	0.8
246.03831	0.4
246.08846	0.2
247.09746	36.8
248.10106	2.6
256.07141	0.2
257.08188	2.3
259.06055	0.2
259.09753	0.5
261.04041	4.7
262.04388	3.2
263.04547	1.9
264.04779	0.4
265.05066	0.3
271.09772	0.7
273.07645	0.6
275.09235	63.6
276.09564	4.7
278.07834	0.5
287.09253	5.5
288.09402	0.4
289.10834	0.3
299.09158	0.2
305.10352	2.1
306.10477	0.2
317.10291	0.6
329.10318	0.2
341.10281	0.3
377.07809	0.3
377.12427	4.5
378.12836	0.5
395.13470	0.6
417.08435	0.3
418.08881	0.3
419.08691	0.3
420.08890	0.2
435.09399	0.2
437.14539	100.0
438.14899	9.9
477.10458	2.0
478.10684	2.5
479.10995	3.0
479.21243	0.9
480.11258	1.7
480.21594	1.1
481.11230	0.8
481.17236	1.0
481.22842	0.3
614.06122	0.2
783.90491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83862	0.2
67.05534	0.3
68.99824	5.0
71.05033	0.3
71.72454	0.3
71.72844	0.3
79.05564	0.2
83.05013	1.3
85.06601	0.7
87.04525	2.0
93.17639	0.2
95.05000	0.3
107.05032	0.4
109.02977	0.5
109.06599	0.4
111.00889	0.4
111.04537	36.2
112.04897	1.2
113.06102	23.7
114.06438	0.6
116.92842	0.3
121.06647	0.5
123.04549	0.7
123.08168	3.3
125.02454	0.3
125.06127	0.2
135.08185	0.4
137.06134	0.3
139.04033	5.3
141.52402	0.2
147.08273	0.2
149.06032	0.3
150.03212	0.3
151.00389	0.3
151.04022	0.7
151.11282	0.2
151.85214	0.2
152.04755	0.2
153.09291	0.3
165.05554	1.0
165.09218	0.5
167.07092	0.7
175.11299	0.4
177.01961	0.2
177.09271	0.3
179.03419	0.4
179.07207	2.1
180.04292	0.7
182.05875	2.7
183.06425	0.2
186.05325	1.2
191.07227	0.2
191.10748	0.9
192.07930	0.6
193.08704	1.5
194.05797	0.3
195.06717	0.4
195.10278	0.4
198.05298	0.8
203.10732	0.3
205.05157	0.6
205.08595	0.3
207.06560	0.7
207.10246	0.4
208.07112	0.3
209.08266	0.2
209.11845	0.7
209.15393	0.3
212.06865	0.8
219.06577	0.8
219.10217	0.9
219.13728	0.2
220.07379	0.8
221.08205	12.4
221.11768	0.7
222.08971	5.2
223.09384	0.4
231.10422	0.2
233.08174	0.9
233.11798	4.0
234.12454	0.3
235.09708	1.1
235.13290	0.4
245.15436	1.2
247.09816	1.1
247.13347	0.7
247.17056	0.5
249.11276	0.3
251.12875	9.4
252.06366	0.3
252.13330	0.5
259.16971	0.3
261.11295	0.4
261.14890	1.6
262.12106	0.4
262.15604	0.7
263.09167	0.3
263.12781	0.6
263.16525	0.2
264.09842	0.2
267.12350	0.2
275.12866	0.5
275.16382	0.4
276.13467	0.3
277.14523	0.4
289.14484	7.4
289.18002	0.6
290.15076	1.3
291.16022	4.9
292.16293	0.3
293.10681	0.4
293.13974	6.1
294.14426	0.6
303.12561	0.3
303.15988	2.0
304.16782	0.3
319.15491	1.0
320.16122	0.2
321.17041	0.3
322.14252	1.8
323.14462	0.3
331.15564	0.4
331.19083	1.7
333.16992	0.3
337.16589	4.7
338.16800	0.4
345.20883	0.5
347.18607	0.5
363.22018	0.3
373.20175	0.5
375.18118	9.1
375.22861	0.5
376.18488	0.9
387.21701	0.7
392.18674	0.2
401.23306	0.8
427.25174	0.3
429.22836	3.5
430.23203	0.5
443.24332	0.9
444.25018	0.7
459.27658	0.5
460.27835	0.7
461.25443	100.0
462.25772	15.7
476.24426	1.1
956.49341	0.3
957.48474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.0
68.99824	1.9
69.03454	3.7
69.66172	4.1
69.66585	1.3
71.01386	100.0
72.01735	1.5
72.99323	5.0
73.02955	5.2
75.00882	1.8
78.95907	1.7
80.02679	1.0
81.03451	3.9
83.01396	4.6
83.05040	3.2
84.02184	1.0
85.02961	8.4
87.00888	27.5
89.02452	20.9
93.03494	1.3
95.01409	1.9
95.05048	1.4
96.96037	2.0
96.96918	1.0
97.02954	8.9
97.06586	2.8
99.00902	3.2
99.04538	1.0
101.02458	18.0
107.05067	1.2
108.02228	0.9
109.02970	1.8
109.06612	8.5
110.03754	1.4
111.00928	1.1
111.04519	4.3
111.08179	3.3
113.02473	10.3
116.92836	1.0
119.03523	6.4
119.91264	0.7
121.02975	0.7
121.06590	1.1
122.03797	0.9
123.04526	3.3
123.08175	2.6
125.02455	8.9
125.06155	1.1
125.09732	8.2
127.11285	1.3
131.03613	0.7
133.06706	0.9
135.08171	2.1
136.05319	0.9
137.02402	1.0
137.09752	2.4
139.03995	0.9
141.01926	1.0
142.02763	1.5
143.03500	3.2
145.05051	1.2
149.06090	1.1
149.09796	1.1
151.11305	2.1
153.09319	0.9
153.12886	0.8
155.10799	1.4
161.02466	1.2
161.04616	4.9
161.09731	3.7
163.11301	8.0
165.09279	1.3
165.12862	2.6
167.10780	0.8
169.12326	1.8
171.10284	22.5
172.10722	1.1
177.09256	1.3
179.04167	1.0
179.05591	5.2
179.07004	0.8
179.10800	5.2
181.12427	3.4
183.13919	1.8
185.11797	4.0
187.09795	2.8
191.14487	1.6
193.12344	1.1
195.10284	1.8
197.11832	11.4
199.09756	1.2
199.13361	1.4
201.11328	13.3
205.08694	9.1
206.09161	0.8
207.10275	18.7
207.12186	1.5
208.10732	1.2
209.11819	10.5
211.13449	7.5
213.11351	2.5
215.12944	3.1
221.06665	2.7
221.11861	1.3
223.09752	18.4
224.10152	1.0
225.11320	16.1
225.14836	0.9
226.11958	0.9
227.12805	5.7
235.08205	4.4
237.11317	0.9
239.12833	1.3
241.10817	1.7
241.14584	2.0
243.12387	1.4
245.19075	4.3
247.20723	0.9
253.09309	1.8
263.07736	1.4
263.20114	1.5
289.18039	11.3
290.18594	1.0
291.19629	15.7
292.19888	1.6
307.19138	10.1
309.20706	21.0
310.21045	2.4
341.23462	2.1
379.12604	1.5
397.13556	16.3
398.13870	1.8
402.13345	0.8
415.14563	8.3
478.55740	0.8
529.88239	0.8
621.24353	1.3
623.25909	1.2
730.10156	1.1
913.27649	0.8
913.44800	3.2
931.46350	2.3
949.48279	4.5
950.49359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.7
71.01388	0.6
71.71708	0.8
73.66396	0.6
75.00880	0.5
81.03453	1.9
83.01388	5.1
83.05062	0.6
85.02955	1.8
92.20762	0.5
93.03484	2.2
95.01391	1.0
95.05044	1.7
97.02962	4.3
107.05051	1.2
108.02191	1.3
109.02965	18.5
113.02501	1.0
117.03464	0.7
119.05019	1.0
121.02970	7.8
121.03764	1.0
122.03766	0.8
123.04543	12.8
124.01741	0.9
125.02462	100.0
126.02818	3.5
133.02960	4.5
134.03693	0.5
135.04549	3.5
137.02464	23.0
138.02858	1.1
139.04015	3.1
143.05107	0.8
145.02960	1.1
146.03741	0.9
147.04524	1.2
149.02431	5.6
150.03256	1.1
151.04018	14.7
159.04543	2.4
160.05353	0.6
161.02469	28.3
161.06081	4.2
162.03239	2.8
162.06389	0.6
163.00415	2.7
163.03999	3.1
164.01202	4.0
165.01950	5.5
166.02531	0.7
167.03494	1.8
173.06067	0.7
174.03239	1.5
175.04034	10.6
175.07607	1.3
176.04330	0.9
177.01958	6.2
177.05617	1.5
178.02536	0.6
179.03502	5.2
180.19971	0.5
183.04559	0.6
185.06026	0.8
187.04028	8.1
188.04858	4.0
189.05576	1.0
191.05644	9.0
192.06023	0.8
193.05043	0.8
201.05588	2.5
202.06409	0.9
203.03577	1.6
203.07147	9.4
204.04166	0.8
204.07439	1.0
205.01474	3.4
205.05074	7.8
211.04121	0.8
213.05493	1.1
215.03529	2.0
217.05119	2.0
219.03096	0.8
221.08150	1.1
225.05537	1.0
227.03558	1.9
227.07172	1.7
228.04224	1.1
229.04990	3.3
230.05818	1.1
231.02986	1.2
231.06560	0.8
243.03036	3.1
243.06506	0.9
245.04573	6.8
245.08194	16.3
246.08612	1.3
247.06209	1.2
253.05086	1.2
255.02988	10.5
255.05949	0.9
255.06497	0.8
256.03690	5.3
257.04431	2.4
269.04526	1.7
271.06134	1.1
273.04086	5.4
273.11890	0.6
274.04410	0.7
281.04599	3.7
282.01672	0.9
283.02466	2.0
284.02933	0.9
285.04062	4.2
287.05630	14.4
288.02927	1.0
288.06009	1.8
289.07184	59.9
290.07550	5.0
297.04034	1.1
297.07611	1.1
299.05573	5.7
315.08899	0.6
329.06741	0.8
339.08722	7.1
340.09476	0.7
353.08850	1.7
355.08224	1.7
371.09656	2.7
381.09915	2.2
385.09390	1.1
389.06909	0.7
407.02142	1.2
407.07724	63.7
408.08066	7.0
425.08789	74.4
426.09213	9.4
427.09543	0.7
451.10294	19.1
452.10648	2.4
457.34091	0.6
475.12045	1.0
559.12549	1.8
577.13568	53.8
578.14032	9.0
595.16699	5.7
596.16809	1.0
949.89288	0.8
951.44946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01418	18.2
71.72865	24.1
78.95901	17.1
89.02422	19.4
99.92586	13.9
107.98147	17.2
109.06613	18.0
116.92872	100.0
121.64096	13.1
172.87090	14.4
207.10300	54.4
208.10580	15.4
223.94250	14.2
225.11409	16.0
226.01051	14.9
239.12915	19.6
251.32698	15.4
253.80356	14.6
277.21829	81.4
278.22198	29.1
397.13516	50.6
498.11307	17.1
813.78162	17.5
886.47559	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27151	9.4
71.73518	23.4
116.92886	43.5
131.93573	11.9
156.66693	11.6
172.97580	10.8
207.10295	29.0
209.11922	20.0
210.12282	12.1
221.08209	42.1
277.21774	31.5
278.22006	18.8
319.15454	17.3
320.16132	10.5
385.58743	11.6
447.27484	100.0
448.27878	64.9
886.49738	12.6
963.89990	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	948.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	22.8
93.22004	12.8
98.20632	41.7
102.09877	13.9
104.37757	13.5
111.04504	17.8
137.90009	15.3
209.11858	100.0
210.12167	33.1
227.12967	18.0
229.83415	16.5
231.30460	15.0
258.98438	15.5
269.31857	16.4
277.21844	24.9
462.25726	18.5
463.25992	32.2
583.44843	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	20.0
77.98157	7.3
83.05025	7.1
85.02939	10.8
89.02437	17.8
93.59077	6.0
101.02451	20.4
113.02451	8.9
125.02466	10.1
209.11844	100.0
210.12254	38.4
211.12357	11.7
227.12805	17.1
228.13251	8.2
255.23512	8.3
277.21790	44.1
278.21939	35.2
293.21136	12.1
397.13538	33.9
398.14148	18.9
399.13818	15.8
400.14273	8.9
556.64838	8.4
609.25928	8.3
747.23987	9.1
877.68317	8.5
891.31915	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	945.51
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.4
68.13786	0.3
68.99821	1.2
69.03465	0.9
69.56708	0.6
69.57121	2.3
71.01387	11.2
71.05015	0.3
72.99318	1.4
73.02959	1.8
80.02696	1.1
81.03470	2.0
83.01385	1.5
83.05025	6.6
84.02183	0.7
85.02962	3.1
85.06602	0.4
87.00883	3.2
87.04517	2.5
89.02451	11.0
95.01395	0.9
95.05054	1.1
97.02950	2.2
99.00901	1.0
99.04577	0.5
99.95975	0.3
101.02456	10.1
102.02820	0.4
109.02974	0.6
109.06580	0.6
111.00918	0.5
111.04536	12.6
111.05309	0.7
113.02460	6.8
113.06100	5.5
119.03511	2.9
123.04578	0.4
123.08205	1.0
125.02453	4.7
125.06100	0.6
127.04065	0.4
131.03511	0.7
135.08182	0.8
137.02533	0.6
138.03290	0.4
139.04033	10.8
139.07637	0.4
140.04375	0.6
141.02016	0.6
143.03508	2.3
149.04578	0.5
151.04062	0.5
151.11273	0.3
153.05498	0.8
161.04610	3.7
163.11311	3.7
165.05539	0.4
165.12860	3.1
167.03491	0.6
168.04340	0.7
170.81161	0.3
179.05640	3.6
179.07167	0.5
181.05020	0.5
181.12355	0.8
182.05855	5.1
183.06528	0.3
186.05347	2.5
191.10814	1.6
193.08720	0.7
199.06137	0.5
205.05084	0.4
207.10321	0.4
209.11835	100.0
210.12173	6.4
217.07162	0.8
219.06877	0.4
221.06584	1.0
221.08453	2.4
221.13524	0.3
222.08955	1.5
227.12886	11.0
228.13239	0.9
233.11868	0.8
235.08192	4.0
245.06598	0.4
245.15524	0.3
247.09712	0.4
251.12886	15.0
252.13144	1.4
259.08197	0.7
263.12805	0.4
267.12241	0.4
275.12927	0.8
277.21716	41.2
278.22104	4.6
287.07739	1.3
289.14410	1.0
289.17755	0.3
291.16040	0.9
293.13940	13.4
294.14270	1.2
303.15927	0.4
305.08945	1.8
321.13525	0.5
321.17050	0.4
322.14191	7.0
322.17838	0.3
323.09851	1.4
323.14362	0.6
333.20444	0.4
337.16574	4.0
338.17041	0.4
355.12228	0.3
361.11331	0.4
375.18085	1.8
379.12448	9.9
379.17355	0.5
380.12659	0.7
391.21225	0.5
397.13507	35.5
398.13876	2.9
413.18237	0.6
415.14529	7.3
416.15042	0.7
427.24982	0.3
429.22736	0.9
445.26041	2.1
446.26199	0.4
461.25409	29.9
462.25787	5.1
589.16589	0.4
589.24866	2.5
590.25458	0.7
607.26117	2.9
608.26532	0.6
657.34930	0.6
675.36237	1.1
945.50110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05540	0.5
68.99818	10.0
70.43481	0.4
71.05031	0.4
71.50452	0.7
79.01932	0.5
83.05033	1.4
83.27634	0.4
85.06610	2.1
87.04545	1.5
95.05019	0.7
107.05092	0.6
107.25245	0.4
109.02999	0.7
109.06618	1.1
111.04536	73.7
112.04863	2.1
113.06107	54.2
114.06435	1.7
121.06606	1.4
123.04572	1.3
123.08195	6.3
125.02443	0.5
135.04572	0.5
135.08208	0.7
139.04050	3.3
139.07692	0.4
151.04103	2.3
151.40671	0.4
152.04816	0.9
152.44824	0.4
153.05630	0.5
157.05106	2.8
163.07561	0.4
163.11336	0.7
165.05574	1.7
165.09256	0.5
166.06377	0.6
167.07185	1.2
175.11292	0.8
177.01944	0.9
177.03337	0.3
177.05643	0.5
177.09235	0.8
179.03542	1.5
179.07138	4.7
179.10704	0.4
180.04285	1.9
181.08664	0.4
182.05859	1.2
186.05376	0.7
191.07199	1.1
191.10806	1.7
192.07947	1.6
193.08731	2.8
194.05800	0.8
195.06665	0.8
195.10277	0.8
198.05367	1.5
200.03334	0.5
203.07178	1.1
205.05132	1.3
205.08736	0.3
207.06630	2.8
207.10158	0.7
209.08311	0.8
209.11812	2.7
212.06905	1.5
215.10793	0.4
217.12480	0.5
219.06731	1.7
219.10155	2.2
220.07454	1.6
221.08206	28.3
221.11688	0.8
222.08936	11.5
223.09450	0.8
233.08182	1.4
233.11810	8.6
234.12321	1.0
235.09790	1.6
235.13303	0.7
235.17068	0.4
245.15508	2.2
247.09802	1.3
247.13396	1.4
247.17078	0.6
249.11320	0.6
251.12895	3.5
252.06458	0.6
252.13348	0.5
257.91135	0.5
259.16965	0.9
261.11258	0.9
261.14932	3.0
262.12085	0.6
262.15652	1.0
263.09262	1.4
263.12698	1.7
264.09879	0.4
266.11545	0.5
275.12979	1.4
275.16504	1.0
277.14468	0.9
277.21835	0.7
289.14499	15.0
289.18073	2.0
290.15030	2.9
291.16022	11.5
292.16382	1.1
293.13953	2.9
294.14526	0.8
303.16031	3.5
307.15619	0.8
317.13965	0.8
317.17447	0.5
319.15356	3.0
320.16245	0.6
321.17041	1.6
322.14276	2.3
331.15829	0.6
331.19214	2.5
336.15524	0.4
337.16528	1.8
343.15295	0.4
345.20685	1.1
347.19223	0.4
359.18631	0.5
361.16461	0.7
373.20206	0.8
375.18146	20.4
376.18518	2.0
377.19507	0.5
387.21765	1.7
401.18982	0.8
401.23386	1.6
428.25797	0.5
429.22803	6.0
430.23175	0.7
431.24203	0.6
443.24524	2.1
444.25198	1.4
445.25909	1.6
460.27496	0.5
461.25452	100.0
462.25748	14.0
476.23938	0.8
537.79962	0.4
553.90265	0.5
663.31665	0.7
717.36737	2.7
773.38910	0.5
774.39893	0.8
803.40265	1.5
808.79565	0.4
885.47546	0.4
945.50208	27.7
946.50342	8.7
978.91248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.6
68.99816	9.3
76.92592	0.6
85.06601	1.9
87.04535	1.8
103.05042	0.6
107.05025	1.2
109.02980	0.9
109.06599	3.1
111.04530	100.0
112.04869	2.6
113.06101	32.9
114.06384	0.9
116.92870	0.6
123.08166	4.4
123.99490	0.7
127.07729	0.8
131.00505	0.6
149.09737	0.7
150.03294	0.7
151.04001	2.5
152.04807	1.6
157.05052	1.3
163.07646	0.7
163.11237	0.9
165.05569	1.5
165.09224	0.9
177.01945	1.5
177.09224	0.7
179.07173	2.6
179.10873	0.7
191.07072	0.9
191.10736	1.1
192.07912	2.2
193.08731	3.5
194.05768	0.8
195.06616	2.0
198.05301	1.8
205.05095	1.6
207.06645	2.3
207.10342	0.9
209.08066	1.0
219.06696	3.5
219.10275	2.1
220.07396	3.1
221.08188	19.6
221.11641	1.3
222.08926	4.3
229.98781	0.9
233.08290	3.5
233.11819	8.7
235.09805	2.0
235.13364	2.4
245.15491	1.4
247.09689	1.7
248.06929	1.4
249.11337	1.6
261.11282	2.6
261.14966	1.9
263.09241	7.3
263.12723	4.4
264.09833	1.9
271.16971	0.7
273.11337	0.8
273.14655	0.8
275.12820	1.2
277.14362	2.4
289.11325	1.5
289.14444	13.0
289.18100	4.8
290.15109	1.7
291.15750	1.2
303.15939	2.1
317.14047	1.5
317.17493	1.0
319.15479	7.0
320.15924	1.2
321.16995	1.7
331.15399	2.1
331.19141	5.7
332.16187	1.9
347.18698	1.8
373.20184	1.3
375.18143	44.1
376.18436	5.9
387.21716	8.1
388.22165	1.1
401.23596	3.6
427.25089	1.2
429.22839	9.4
430.23221	1.8
441.52298	0.7
443.24457	4.0
444.24997	1.6
445.25754	2.3
461.25397	99.4
462.25653	14.3
476.24344	0.8
648.64130	0.7
663.31738	0.9
717.36652	4.0
718.34998	0.7
773.38208	1.0
803.40027	5.0
804.40381	2.3
816.41492	1.4
859.43103	2.9
860.43903	1.5
885.47266	0.9
945.50195	42.9
946.50555	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	945.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.6
67.44563	0.5
68.99818	4.9
69.09170	0.5
71.05029	1.7
71.72929	0.9
79.01909	0.6
82.60800	0.5
83.05029	15.6
84.05367	0.8
85.02956	1.5
85.06603	1.9
87.04522	19.3
91.02435	0.5
99.00892	0.9
99.04549	3.5
101.06083	2.6
101.79205	0.5
109.02989	1.3
109.06622	1.4
111.00914	0.7
111.04530	56.8
112.04871	1.8
113.06097	17.1
115.04012	1.5
115.94585	0.4
116.97741	0.6
119.07018	0.5
123.04498	0.6
123.08174	3.6
125.02406	0.7
125.09695	0.5
135.04485	0.8
135.08159	0.5
137.02464	1.8
137.09685	0.8
138.03255	0.5
139.04025	42.6
139.11368	0.5
140.04350	1.3
141.09227	1.0
149.06146	0.6
151.04053	2.5
151.11307	2.5
153.01968	0.9
153.05554	1.1
154.06375	0.8
163.11319	0.8
165.05539	1.7
165.09319	0.6
165.12842	2.1
166.02719	0.9
167.07173	1.2
168.04292	0.9
171.18893	0.5
177.02010	0.8
178.02670	0.6
178.06285	0.6
179.03537	0.6
179.07129	1.8
181.05064	1.0
181.08693	0.7
181.12318	0.7
182.05855	19.3
183.06256	0.5
186.05338	9.8
187.05684	0.6
191.07112	0.7
191.10750	1.0
192.07909	1.2
193.08730	1.5
195.06714	0.7
198.05394	1.1
205.05087	1.8
207.06628	1.0
207.10324	0.7
207.13914	0.8
209.04607	0.7
209.11835	3.7
219.06641	3.3
219.10213	1.2
219.17387	1.3
220.07382	3.0
221.08197	8.7
221.15451	1.3
222.08846	1.8
225.14949	1.3
227.12845	2.1
233.08182	2.0
233.11783	2.1
235.09772	1.4
235.13412	0.6
245.08107	0.8
245.15491	0.7
247.09702	0.7
248.06812	0.9
251.12869	52.1
252.06320	1.0
252.13193	4.5
253.10802	7.6
254.11006	0.7
259.13370	0.6
261.11230	1.0
261.15002	1.0
263.09259	3.9
263.12814	2.1
264.09814	0.9
275.12964	3.7
276.13196	0.7
277.14450	1.5
277.21732	0.6
289.14642	6.0
289.18094	1.9
289.21683	18.7
290.14917	0.6
290.22049	1.6
293.13928	34.4
294.14264	2.8
299.12747	1.3
303.12549	1.0
303.15836	1.1
317.13855	1.0
319.15518	2.3
321.13309	1.8
321.16803	0.7
322.14209	23.8
323.14554	1.8
331.19241	1.7
332.16153	1.4
333.20636	0.8
337.16568	15.2
338.16870	0.8
343.22772	0.6
345.20685	1.1
355.19049	0.6
363.21991	0.7
373.20273	0.8
375.18130	10.2
375.22690	1.0
376.18582	1.6
377.19208	0.7
381.16849	1.9
387.21774	1.9
391.21204	0.9
392.18216	1.7
401.23230	1.6
427.24832	5.6
428.24979	0.7
429.22937	3.2
430.23083	0.6
443.24304	0.9
445.25916	22.4
446.25977	3.4
449.23254	2.1
461.25433	100.0
461.91968	0.6
462.25797	12.4
467.24048	3.7
483.23730	2.3
511.23285	2.8
512.23376	0.6
527.22711	0.7
529.23926	0.8
920.39197	0.6
945.50659	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	945.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	6.9
71.73081	1.3
78.95929	1.0
79.05547	1.3
83.05023	1.4
85.06574	1.3
87.04523	2.0
107.05054	1.4
109.02950	1.5
109.06583	1.9
111.04536	78.1
112.04879	1.7
113.06106	24.0
122.03777	0.9
123.04550	2.2
123.08170	6.2
124.95931	0.8
125.02497	0.8
137.06200	1.1
139.04028	1.2
151.04022	1.1
152.99565	1.9
153.05635	1.2
157.05038	1.2
161.09755	0.9
163.07552	0.8
165.05640	4.5
175.07626	1.2
175.11288	2.4
177.09213	2.6
179.05780	1.3
179.07146	6.3
179.10710	1.2
181.08723	1.7
191.05580	0.9
191.10724	1.0
195.06557	1.5
206.09453	1.1
207.06709	2.6
207.10210	0.9
209.08223	1.4
209.11905	2.0
212.06973	1.4
219.06674	1.3
219.10223	9.0
219.13782	1.0
221.08220	12.2
221.15381	1.0
222.08949	5.6
223.09769	2.8
227.12885	1.6
231.13852	1.0
233.08380	1.1
233.11867	1.7
235.09717	1.9
245.15445	4.1
246.12599	0.8
247.07509	0.9
247.09662	4.1
247.13420	1.0
261.11331	1.4
261.14877	3.0
263.12860	1.8
275.12900	9.2
276.13416	1.9
277.10873	3.4
277.21661	2.2
287.16525	1.4
289.14468	20.7
289.17740	0.8
290.15067	3.3
291.15939	2.2
303.16229	1.3
315.15906	0.8
317.13907	2.0
319.14926	0.9
331.15500	14.1
331.19150	2.9
332.15982	2.0
335.14944	1.5
343.22888	4.2
345.16830	0.8
345.20660	1.1
354.50146	0.8
359.18716	1.1
375.18124	21.6
376.18411	2.6
387.21786	25.9
388.22180	3.0
397.13376	0.8
401.23373	1.9
429.22867	4.5
430.22812	1.0
441.26205	1.7
443.24338	3.3
445.25854	3.2
461.25439	100.0
462.25787	15.0
815.39893	3.9
816.40515	1.6
859.43060	1.3
871.45966	1.2
945.50336	24.4
946.50751	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	0.4
68.99844	0.4
69.03445	1.9
71.01388	4.5
71.71631	0.7
73.02915	0.7
80.02685	0.5
81.03465	4.1
83.01398	9.7
83.05038	2.6
85.02979	1.2
87.00877	1.1
88.66542	0.4
88.98805	0.4
89.02452	1.8
93.03466	3.7
95.01376	1.6
95.05040	2.4
97.02972	4.3
99.00869	0.4
99.04520	0.9
101.02455	2.5
107.01357	0.5
107.05003	1.2
108.02179	1.2
109.02972	5.7
109.06604	0.8
111.00904	0.4
111.04508	1.0
113.02450	1.3
115.05568	0.4
119.04993	0.5
120.02141	0.4
121.02971	4.7
122.03764	7.6
123.00876	1.0
123.04554	3.3
124.01705	1.8
125.02465	39.9
125.09749	0.6
126.02752	1.2
133.02957	0.9
134.03867	0.6
135.04544	5.6
135.08167	0.4
136.01695	1.3
136.05319	4.2
137.02464	35.5
138.02777	1.0
139.04050	2.4
145.02939	0.9
146.03714	2.3
147.04518	0.9
148.01680	0.4
148.05333	0.7
149.02463	2.9
149.09833	0.6
150.03255	5.1
151.04015	3.0
154.02707	0.7
155.03642	0.4
157.06598	0.5
158.03752	1.1
159.04543	2.1
160.05295	0.7
161.02477	4.5
161.04593	0.4
161.06056	1.5
162.03220	2.6
162.06807	0.7
163.00378	0.7
163.03983	1.4
163.11331	2.5
164.01178	8.9
164.04832	2.6
165.01955	23.5
165.12863	1.0
166.02324	1.2
167.03522	4.1
171.10294	1.1
172.05290	1.5
173.06105	2.1
174.03242	1.2
174.06906	0.8
175.04008	2.8
175.07610	0.9
176.04741	1.4
177.01920	1.1
177.05522	0.8
179.02040	0.6
179.03505	8.7
180.03917	0.4
181.05168	0.6
183.04517	0.9
183.13882	0.5
185.06006	0.7
187.03967	1.6
188.04820	1.9
189.05553	0.7
190.06316	0.7
191.03412	0.4
191.05635	1.3
196.05278	0.5
197.06049	0.7
198.06709	0.6
199.03961	1.5
200.04736	1.5
201.05553	3.1
202.02728	0.5
202.06378	1.7
203.03506	1.0
203.07091	1.3
204.04282	5.4
205.04768	0.7
207.10219	1.5
209.11841	26.9
210.12183	1.6
211.13376	6.5
212.04834	1.0
212.13708	0.5
213.05569	2.3
215.07143	1.3
216.04301	0.4
216.07857	1.1
217.04979	0.9
219.06590	0.4
223.09718	0.4
224.04553	0.4
225.05511	1.3
225.11368	0.8
226.06308	1.0
227.03601	0.5
227.07069	1.0
227.12877	2.0
228.04245	0.8
228.07829	0.4
229.04878	0.6
230.02202	0.5
230.47891	0.4
239.12857	0.5
241.05110	0.7
242.02180	0.6
242.05728	0.6
243.06630	1.0
244.03816	0.5
244.07419	1.6
245.08142	0.9
245.15446	0.5
246.05432	0.6
253.09235	0.7
255.10153	0.5
257.04575	0.7
257.15491	1.5
258.08929	0.9
259.06107	1.3
259.16980	1.9
267.13660	0.5
269.04416	0.4
269.15210	0.9
270.05112	0.4
271.13434	1.4
273.14935	10.6
273.17694	0.8
274.15286	1.1
283.16873	0.8
285.14935	2.2
287.05643	4.8
287.13293	0.5
287.16516	9.3
287.19540	0.8
288.06424	2.6
288.16843	0.9
289.07297	2.2
289.14633	0.5
291.15964	1.6
297.14954	2.1
297.18091	0.7
299.16599	0.7
301.14511	0.8
303.16022	0.9
305.17532	0.9
309.15234	0.6
313.14450	2.8
314.14743	0.6
315.16010	12.2
316.16318	1.4
319.15472	1.2
325.14523	0.8
325.18100	1.1
327.15924	2.1
331.15503	1.1
333.17142	3.3
337.14404	0.5
339.19601	0.7
343.15454	2.3
343.19153	1.0
345.17175	0.6
351.16028	0.8
353.17743	0.7
355.15500	0.9
361.16620	1.1
367.19098	5.4
368.19427	0.6
369.17087	1.3
370.17380	0.5
379.15601	0.4
385.20221	2.9
395.18643	1.3
397.16489	0.6
409.20261	7.7
410.20282	0.9
413.19547	0.5
427.21259	1.3
437.19705	1.7
445.20959	0.6
447.22467	0.8
455.20593	0.9
481.18579	3.0
597.26520	0.5
639.33765	0.5
651.26196	0.5
657.34906	0.4
691.30194	0.6
717.27191	0.8
735.29083	1.6
777.37366	0.8
807.38361	6.2
808.38525	1.3
819.38593	2.1
861.39050	0.5
901.42383	2.1
902.41968	0.7
927.40277	5.6
928.41016	1.5
945.41669	100.0
946.41895	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01911	1.0
68.99829	1.6
69.03442	4.4
70.03912	2.2
70.04323	1.6
71.01382	5.0
73.02949	1.3
77.03977	1.8
80.02696	1.4
81.03471	9.5
83.01395	19.7
83.05035	5.4
84.02191	0.9
85.02970	2.9
87.00902	1.5
88.98814	2.1
89.02449	2.8
93.03468	7.4
95.01427	3.6
95.05041	5.8
95.96587	0.7
97.02962	7.6
99.04536	5.5
101.02447	4.6
107.05060	2.1
108.02149	1.0
109.02974	11.5
111.00855	0.9
111.04539	1.4
113.02460	2.4
120.02228	1.3
121.02971	8.9
121.06757	0.8
122.03799	4.2
123.00887	1.6
123.04543	4.0
124.01723	3.9
125.02466	100.0
126.02812	2.5
130.04239	1.0
131.03627	0.7
131.05060	1.2
133.02985	2.3
135.04541	6.4
135.08212	1.1
137.02464	81.5
138.02847	3.3
139.04028	3.1
140.49954	0.7
146.03754	26.4
147.04471	3.0
148.01678	1.5
149.02489	3.5
150.03268	4.0
151.04015	7.1
156.05743	0.8
158.03725	0.9
159.04546	10.4
160.05334	4.6
161.02458	4.8
161.04726	0.7
161.06073	4.0
162.03249	1.2
163.00441	2.2
163.04045	1.9
163.11325	2.8
164.01169	20.3
165.01953	61.0
165.12878	1.6
166.02379	2.2
167.03522	24.1
168.03865	1.4
172.05304	7.5
173.06079	6.7
174.03233	14.7
174.06821	5.3
175.03944	4.9
176.04779	3.1
177.01942	11.0
177.05688	0.9
179.03516	14.2
181.05070	1.3
183.04456	1.5
184.05264	1.1
185.06078	3.3
186.06853	2.6
187.04088	5.0
187.07721	1.1
188.04791	9.9
189.05565	2.7
189.09218	0.9
190.02702	2.0
191.03528	2.4
191.05624	2.6
191.07233	0.9
191.10802	1.3
196.05283	1.6
197.06081	2.0
198.06894	0.8
199.07700	1.3
200.04771	7.6
200.08459	1.3
201.05550	5.7
204.04269	7.1
209.06105	1.4
209.11842	38.7
210.06795	3.5
210.12175	2.5
211.04024	2.1
211.07564	1.5
211.13443	2.2
212.04839	7.3
212.08272	0.7
213.05568	2.9
213.09100	0.9
214.06305	1.3
215.07050	1.3
216.04424	1.1
218.05742	0.8
223.07646	1.7
223.11180	0.9
224.04680	1.0
225.05513	4.7
225.12924	1.1
226.06242	3.9
227.07098	2.7
227.10754	1.3
227.12865	2.2
228.04161	0.9
228.07851	1.1
237.05551	2.7
238.06276	1.5
239.07190	0.9
241.12244	1.0
243.03006	0.9
243.06548	1.2
243.13892	2.8
244.07294	1.8
250.06279	1.1
251.07111	3.0
252.07941	5.4
253.09375	1.1
253.12363	1.1
255.13995	3.2
265.08557	1.3
268.07391	3.5
269.08679	1.6
269.11819	7.4
269.14478	1.2
270.08932	4.2
270.12012	1.6
271.13391	38.9
272.13748	3.1
276.07892	1.6
281.11929	1.2
283.13303	5.5
285.14966	5.3
287.05518	1.5
287.12897	3.0
288.06442	3.5
289.07178	2.4
289.14441	10.6
290.14883	1.4
292.07446	1.4
293.08212	0.8
294.05890	1.5
294.08929	7.6
295.13477	3.0
297.11801	0.9
297.14862	4.1
299.12885	8.8
300.13483	2.0
301.14471	3.1
307.13443	1.4
309.14954	2.9
311.12988	1.2
313.14478	20.2
314.14841	2.7
315.16037	4.2
317.14005	3.4
319.13364	0.8
320.06717	1.2
325.14468	13.3
325.17889	0.6
327.15811	1.3
331.15503	2.8
335.13000	1.0
335.16522	3.4
337.14490	10.0
338.14822	1.7
343.15518	7.8
351.15991	2.6
353.17642	2.4
355.15469	3.0
361.14905	0.9
369.17139	1.4
377.17551	5.6
379.15656	2.3
391.19543	1.3
393.17160	3.1
395.18634	6.5
397.16537	1.4
401.17603	1.7
413.19739	1.5
419.18643	18.0
420.19089	1.7
421.16467	0.9
437.19739	10.0
438.20059	1.2
445.16412	1.2
463.17447	7.6
464.18448	0.9
481.18845	2.6
549.22742	1.0
567.24493	3.4
579.24957	0.8
591.24432	2.3
655.28186	1.2
673.28809	6.1
683.46198	0.9
691.31110	0.8
699.27344	1.9
717.27478	4.9
735.29425	0.8
759.35803	2.4
761.37677	0.9
777.37244	15.7
778.37506	4.4
789.37177	11.0
790.37756	2.0
801.37122	8.7
802.37628	2.0
807.38721	8.5
808.38605	2.5
819.37573	1.7
843.37762	1.6
859.41986	1.3
865.42047	1.0
883.41431	11.8
884.41534	3.8
901.40619	2.9
909.39447	6.4
910.39075	2.2
927.40417	84.0
928.40771	20.9
945.41675	70.1
945.61444	1.4
946.41791	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.4
69.03466	3.8
70.47032	2.7
71.01389	6.3
71.05038	1.0
72.19057	0.8
72.99321	1.0
73.02957	1.2
77.03963	1.1
80.02687	1.7
81.03478	8.9
83.01395	21.3
83.05023	4.5
84.02171	1.3
85.02974	2.4
87.00881	1.1
89.02462	3.3
91.05546	1.2
93.03471	5.7
94.20331	0.6
95.01403	3.3
95.05047	4.5
97.02980	8.7
98.19999	0.8
99.04552	5.4
101.02473	3.8
104.50170	0.7
107.05057	2.2
107.32108	0.8
108.02177	1.2
109.02967	12.1
111.04574	0.8
113.02505	0.9
113.06096	0.8
119.05032	1.1
121.02975	8.9
122.03822	4.0
123.00933	1.5
123.04561	5.0
124.01692	2.8
125.02469	100.0
126.02798	3.2
130.04295	1.0
131.05038	1.8
133.02971	1.7
135.04558	6.6
137.02472	84.1
138.02927	1.7
139.04022	2.9
145.02940	0.8
146.03764	32.8
147.04573	4.5
148.01662	1.0
149.02454	3.8
149.06027	0.9
150.03238	2.3
151.04051	6.5
154.02704	0.9
157.06627	0.9
158.03781	1.2
159.04536	13.1
160.05342	5.9
161.02502	3.7
161.04630	1.1
161.06085	3.5
162.03261	2.8
163.00439	2.0
163.03951	1.2
163.11322	3.7
164.01183	22.8
165.01955	58.6
165.12871	1.1
166.02353	2.8
167.03532	25.5
168.03888	1.2
172.05333	7.6
173.02554	0.8
173.06081	5.5
174.03247	13.9
174.06812	4.4
175.04016	5.9
176.04762	2.1
177.01941	9.9
179.03505	16.0
181.05089	1.0
183.04466	1.2
185.06084	3.4
186.06841	2.8
187.04024	8.1
188.04799	12.7
189.05554	3.5
190.02704	1.3
191.03563	1.0
191.05579	1.4
191.10918	0.9
196.05254	1.6
197.06161	2.5
198.06906	1.3
199.03989	1.2
199.07625	1.8
200.04800	8.3
200.08482	1.3
201.05576	6.0
202.06250	1.2
203.03596	1.1
204.04320	8.2
207.10143	0.9
209.06157	1.5
209.11847	35.5
210.06833	2.1
210.12253	2.4
211.04059	2.3
211.07622	1.6
211.13416	1.3
212.04784	7.6
213.05595	2.3
214.06322	0.9
218.05762	0.8
222.25447	0.8
223.07603	1.5
224.04816	1.1
225.05592	5.7
225.09238	1.1
225.12846	1.7
226.06358	4.0
227.07098	2.6
227.12848	1.6
228.07866	1.8
233.06187	0.9
233.27563	0.7
237.05521	2.1
237.09344	1.2
239.07176	2.1
241.12343	2.1
243.13899	1.7
244.07408	1.7
245.11987	1.2
250.06509	1.0
251.07076	4.1
251.10907	0.9
252.07809	3.8
253.05203	1.2
253.08897	1.6
253.12132	1.0
255.13939	3.5
265.08698	1.3
266.09479	1.2
267.14145	1.0
268.07370	3.8
269.08145	1.4
269.11826	8.3
269.14917	1.0
270.09006	4.5
270.12347	1.6
271.13394	41.3
272.13672	4.2
272.45282	0.8
276.08093	1.1
278.05875	0.9
281.11908	1.4
283.13416	5.1
283.16406	0.9
285.14984	5.2
287.05441	0.9
287.12830	4.1
288.06400	2.0
289.07175	1.1
289.14493	12.2
293.08383	1.1
294.09006	6.5
295.10266	0.8
295.13373	4.5
295.91367	0.8
297.14990	6.3
299.12964	11.9
299.16238	1.1
300.13602	1.7
301.14465	4.3
307.13489	1.3
309.14990	2.1
311.12961	1.6
312.13580	0.9
313.14478	25.2
314.14792	3.0
315.15921	5.4
317.13898	6.6
320.06750	1.6
325.14487	14.7
326.14890	2.1
327.08807	0.9
327.16003	2.2
331.15744	5.3
335.13016	0.9
335.16470	3.8
337.14526	10.5
338.14966	1.0
343.15549	8.4
351.16086	3.1
353.13904	1.1
353.17603	2.5
355.15585	3.6
361.14163	1.0
369.17096	1.0
377.17621	5.8
379.15512	3.1
391.15128	1.3
391.19525	0.9
393.16824	3.6
395.18707	6.1
397.16431	1.0
401.17639	1.5
411.18088	1.0
413.19574	1.6
419.18701	17.4
420.19043	2.0
421.10181	0.9
421.16541	0.9
437.19748	9.6
438.19687	1.5
445.16299	1.0
455.20654	0.8
463.17679	6.3
464.18039	0.9
481.18613	2.0
486.37930	0.9
549.23206	1.0
567.24591	6.2
568.24628	1.1
579.24463	1.2
591.24530	3.5
655.28278	1.0
673.29004	7.0
674.28839	1.5
699.26031	1.0
717.27643	3.8
735.28845	1.3
751.48846	1.1
759.36090	2.1
761.38239	1.0
777.37244	18.8
778.37427	4.8
789.37225	11.1
790.38104	2.3
801.37103	8.6
802.36926	1.9
807.38232	9.9
808.39038	3.2
865.40009	1.2
883.41614	11.9
884.41449	3.2
901.40082	2.1
902.41132	1.3
909.39734	6.7
910.40247	2.5
927.40448	75.8
928.40839	29.6
945.41693	68.0
945.61267	1.6
946.41943	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	0.4
69.19057	0.2
69.59059	2.2
69.59397	0.5
71.01397	1.1
81.03450	0.4
83.01404	0.4
83.05029	0.4
85.02957	7.7
86.03326	0.3
87.00875	1.8
87.14918	0.2
93.03470	4.1
95.01369	0.3
95.05088	0.2
99.04539	0.3
102.35522	0.2
107.01418	1.3
108.02209	0.7
109.02960	1.5
111.04537	1.4
113.02448	0.3
121.02964	1.0
125.02468	3.0
126.90469	0.3
127.04030	2.0
133.02957	0.3
134.03766	0.4
135.00887	0.3
135.04520	0.4
137.02454	0.7
148.01666	0.5
149.02429	0.3
151.00386	6.3
151.04033	0.4
152.00874	0.3
155.03534	0.5
159.04535	0.5
161.02452	1.0
161.06076	0.4
163.00433	1.6
164.01117	0.7
165.01999	0.3
167.03670	0.3
169.01366	0.3
171.03030	0.5
172.05365	0.3
173.04555	2.3
173.05995	0.6
174.06871	0.7
175.03908	0.3
175.07526	0.2
177.01979	1.1
178.02615	0.3
178.99870	3.0
183.04532	0.3
187.04102	1.9
187.07645	4.3
189.01894	0.2
191.05623	100.0
192.05959	3.9
199.04008	0.7
200.04729	0.3
201.05602	1.0
201.09218	0.3
202.06361	4.3
203.03461	0.4
203.07043	0.7
203.10809	0.8
211.04012	0.5
213.09248	1.0
215.03671	0.4
215.07158	1.6
216.04176	0.3
218.60538	0.2
222.80264	0.2
226.02753	0.6
227.03471	1.0
228.04385	0.3
229.05016	0.5
231.10262	2.6
243.02992	4.6
244.03563	0.4
245.04555	1.0
245.08119	0.3
245.11862	0.7
247.09818	0.5
254.02242	1.1
255.02979	13.0
256.03314	1.0
257.04425	0.4
257.08176	1.0
258.08719	0.3
263.12991	0.6
271.02460	25.0
272.02917	2.2
273.03903	0.7
275.09250	2.9
275.11996	0.4
276.09634	0.3
283.02466	0.9
285.03659	0.3
287.05630	0.5
289.07104	0.8
289.10834	3.0
290.11108	0.3
293.10141	0.6
299.01981	0.5
300.02756	56.4
301.03476	29.1
301.07458	0.3
301.08389	0.4
302.03836	2.3
303.04181	0.7
307.08401	0.3
307.11914	4.3
323.12277	0.4
405.06085	0.3
407.07755	0.4
449.08292	0.5
449.14520	8.5
450.14886	1.0
461.07422	0.3
463.08798	82.8
464.09177	8.8
464.15683	0.2
467.15732	0.7
479.08005	0.5
480.08572	0.3
481.17142	23.1
482.17621	3.1
495.05759	0.3
575.12268	0.4
841.10443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53539	5.2
68.72192	4.9
69.39155	19.1
69.39582	37.7
71.01383	31.7
71.50307	4.9
85.02966	6.2
87.00887	9.2
89.02440	22.6
97.40555	5.7
101.02464	18.4
104.19653	5.2
113.02431	5.9
119.79685	5.4
125.02421	13.9
127.74220	5.1
161.04599	9.8
179.05566	6.0
179.14406	6.5
193.08801	5.8
195.13959	5.8
205.12309	6.8
207.10236	14.5
209.08238	8.4
223.13387	100.0
224.13786	33.2
225.11275	7.3
235.07933	5.9
255.23271	15.2
277.21667	40.2
278.22079	22.4
284.13596	5.8
284.81140	5.4
374.50668	5.6
379.12686	9.6
397.13507	53.4
398.13739	15.5
459.27548	20.0
460.27567	15.3
461.28812	12.8
604.27020	11.5
611.59155	6.4
621.28021	7.0
622.27826	8.5
827.28156	5.8
861.48346	14.5
882.49493	6.5
961.93329	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	943.495
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31035	1.6
69.03452	2.9
69.47041	10.0
69.47458	3.3
71.01392	25.8
72.99304	3.2
73.02953	3.9
78.21336	1.5
81.03477	3.4
82.45625	1.5
83.01380	2.4
83.05058	2.1
85.02967	5.8
87.00891	6.4
89.02459	21.2
93.03470	1.6
95.01378	2.4
97.02966	12.0
98.20745	2.3
99.00893	4.3
101.02464	19.1
107.05080	1.4
109.06609	32.3
109.27022	1.4
110.06855	1.7
113.02492	10.5
119.03514	3.4
121.06627	2.0
125.02451	7.4
135.08162	2.6
136.05357	1.5
142.02759	2.2
143.03555	3.2
154.82072	1.4
161.04567	3.7
163.11310	19.5
179.05634	4.3
181.12344	4.6
182.49478	1.3
189.09222	2.8
207.10281	100.0
208.10570	6.1
209.11899	2.7
212.68709	1.4
221.06541	1.4
225.11357	38.6
233.27579	1.4
235.08241	5.2
243.12390	2.1
277.21744	70.4
278.22107	5.6
287.07880	1.8
305.08740	2.3
323.09747	2.0
368.87619	1.5
379.12454	8.6
397.13553	58.2
398.13855	4.4
415.14526	13.0
445.25888	2.1
587.23480	1.7
605.24451	8.0
623.25427	4.3
657.35364	2.5
675.36798	3.2
865.45673	1.9
883.47241	68.5
884.47504	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70181	0.2
69.68990	0.2
71.01382	1.3
79.23209	0.2
83.01385	1.4
84.59993	0.2
85.02954	0.8
91.01917	0.3
93.03448	0.5
93.25916	0.2
95.01387	0.3
99.00907	0.4
103.00362	0.3
107.01398	5.7
108.02191	0.7
109.02969	2.7
113.02447	1.0
115.00340	0.3
119.01450	0.3
121.02961	4.3
124.01672	0.3
125.02454	0.7
134.23529	0.3
135.00856	0.5
139.04021	0.7
147.04491	0.2
148.01711	1.1
149.02473	0.9
151.00386	21.2
152.00717	0.8
157.06631	0.3
159.04564	0.6
163.00380	3.6
164.01138	0.7
167.03555	0.4
167.04987	0.3
169.01401	0.9
175.02415	0.5
178.99870	10.9
180.00192	0.3
183.04523	0.6
183.36537	0.2
185.06029	0.3
187.03963	0.7
189.05623	0.3
190.99890	0.5
192.00642	0.4
193.01390	0.4
199.04031	0.5
201.05556	1.0
211.03932	1.7
212.04872	0.4
215.03491	0.8
216.04187	0.3
223.82924	0.3
226.02711	0.9
227.03435	2.4
228.04123	0.4
229.05016	1.2
229.78984	0.5
235.46227	0.3
239.03488	0.7
243.02966	5.5
244.03253	0.5
245.04495	2.0
254.02042	1.5
255.02965	17.0
256.03381	1.3
257.04587	0.5
261.03766	0.3
266.02121	0.3
271.02444	31.9
272.02957	2.9
273.04047	1.8
283.02429	1.7
299.02029	1.3
300.02744	70.2
301.03500	82.4
302.03851	6.3
311.90472	0.2
343.04239	0.3
462.07672	0.3
463.08777	100.0
464.09152	10.1
477.06717	42.8
478.07004	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	941.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38365	0.2
68.99802	0.2
69.66715	1.5
69.67065	0.3
71.01389	2.4
83.01394	2.7
84.39183	0.2
85.02966	2.0
87.00918	0.4
93.03453	0.9
95.01407	0.5
98.20714	0.2
99.00931	0.6
103.00388	0.5
107.01409	7.3
107.02131	0.4
108.99398	0.2
109.02963	3.9
110.03281	0.2
111.00882	0.2
112.73270	0.2
113.02473	1.7
115.00401	0.2
117.10423	0.2
119.01387	0.5
121.02973	6.6
121.03847	0.3
122.03308	0.2
125.02462	0.3
135.00902	0.4
137.02438	0.2
139.03992	0.5
147.00903	0.2
148.01704	0.4
149.02484	1.1
151.00394	30.0
152.00706	1.0
154.45811	0.2
157.06476	0.2
159.04517	0.7
161.02370	0.2
163.00403	3.7
163.04037	0.3
164.01089	0.3
165.01942	0.3
165.35419	0.2
167.05089	0.4
168.05670	0.2
169.01463	1.7
171.04570	0.4
173.06065	0.2
175.02472	1.0
175.04042	0.5
178.99873	14.2
180.00249	0.6
183.04500	0.4
185.06136	0.5
187.03958	0.9
189.05464	0.3
190.99884	0.4
192.00711	0.2
193.01385	0.5
199.04091	0.3
200.04356	0.2
201.05643	1.0
203.03537	0.5
205.05084	0.4
211.03996	1.7
212.04724	0.2
213.01875	0.3
215.03496	0.4
226.02641	0.3
227.03505	2.0
228.04149	0.3
229.05051	1.4
239.03352	1.0
240.04102	0.3
243.02980	1.6
244.03366	0.2
245.04533	3.6
254.02307	0.3
255.02979	6.9
256.03479	0.9
257.04593	0.8
266.02066	0.5
271.02484	6.7
272.03024	1.2
273.04007	2.2
283.02527	2.1
284.03046	0.5
299.02036	1.4
300.02756	14.5
301.03534	100.0
302.03867	8.8
463.08813	17.9
464.09348	2.2
471.81931	0.2
477.06741	73.7
478.07108	9.2
478.14014	0.4
786.41046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55942	4.6
69.56348	14.3
71.01384	67.4
72.99304	4.9
73.02959	5.3
81.03481	3.0
83.01395	3.8
83.05027	2.8
85.02951	6.0
87.00893	9.2
89.02456	30.3
93.92631	1.9
95.01385	2.1
97.02943	10.1
99.00894	6.0
101.02464	22.9
109.06603	30.0
111.04535	5.5
113.02453	21.2
113.06108	3.0
114.87077	2.1
116.92884	11.6
119.03529	10.8
125.02454	12.2
125.77141	2.0
135.08174	5.1
136.05220	2.2
142.02722	2.6
143.03456	2.6
161.04561	6.1
161.09839	2.4
163.11279	14.3
168.65863	2.1
171.10263	3.4
179.05638	8.1
181.12347	4.5
199.09767	2.8
201.11252	4.2
207.08316	5.1
207.10281	100.0
208.10597	8.5
209.11839	9.2
210.61661	2.0
221.06483	2.7
225.09163	3.7
225.11330	57.1
226.11693	3.0
231.58095	2.0
235.08252	8.9
243.12341	2.5
277.21722	87.5
278.22086	7.2
287.07745	3.0
295.68979	2.4
305.08728	3.7
379.12567	5.9
397.13535	79.8
398.13895	7.0
415.14603	21.1
461.25504	7.3
605.24451	5.6
623.25470	8.4
883.47137	52.5
884.48035	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	935.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41383	0.4
68.99800	0.5
71.01389	76.1
71.05011	0.4
71.71543	0.5
71.71930	0.6
72.01717	1.4
73.02957	1.9
78.95921	1.1
80.02692	1.5
81.03468	1.8
83.01408	1.5
83.05034	6.0
84.02156	1.2
85.02959	2.5
87.00898	1.9
89.02450	2.7
93.03474	0.9
95.01413	0.8
95.05052	1.2
96.96024	5.6
96.96988	1.8
97.02959	3.3
97.06609	0.8
99.00899	1.7
101.02470	5.3
106.04236	0.5
106.74560	0.4
107.05035	0.6
109.02946	0.7
109.06611	14.0
111.08189	0.7
111.42075	0.4
113.02437	2.3
116.28389	0.5
116.92866	0.8
119.03546	1.0
121.02953	0.6
121.06601	1.1
123.08153	0.7
125.02476	1.2
125.06115	0.8
125.09747	1.9
127.11339	1.3
133.05087	0.5
135.08206	2.5
136.05301	0.9
137.09750	0.5
139.07721	0.6
142.02745	0.9
143.03545	0.9
145.05049	0.8
149.09647	0.6
151.04025	0.4
155.10844	1.2
161.02458	0.7
161.04607	1.1
161.09761	1.0
163.11308	11.8
164.11633	0.9
165.12906	2.1
171.10291	21.7
172.10669	0.8
179.05565	0.7
179.10864	0.4
181.12343	3.4
183.13872	1.7
185.11835	3.1
187.09753	0.5
189.09178	1.4
191.05733	0.7
191.10812	0.9
195.13997	1.0
197.11893	1.0
199.09805	1.2
199.13377	0.8
201.11349	7.6
207.10281	35.2
208.10591	1.8
209.11842	100.0
210.12177	6.5
211.13380	1.6
213.14986	4.7
213.30894	0.4
215.12946	1.3
221.11908	0.6
225.11324	25.0
226.11699	2.0
227.12877	14.3
228.13246	0.5
229.14363	0.6
235.08209	4.4
243.12416	1.9
247.13443	0.8
249.11275	1.1
251.12788	0.7
253.09276	8.7
254.09622	0.6
263.12967	0.8
265.14444	0.5
289.07211	0.7
295.10242	0.6
299.15012	0.5
327.21777	3.7
397.13785	2.3
399.21835	3.4
400.22073	0.7
405.62717	0.4
407.19211	0.5
415.14447	0.5
417.22736	3.6
418.22983	0.5
435.24179	0.6
443.19308	1.9
445.20706	1.2
461.20264	8.5
462.20776	0.8
479.21094	0.7
635.30853	6.9
636.30847	0.8
653.31744	5.3
654.32294	1.4
671.32910	10.6
672.33478	5.0
689.34125	0.9
704.36304	0.7
935.48212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00328	8.9
69.49595	3.6
79.66105	0.4
83.01402	4.3
93.03483	1.1
103.51235	0.4
107.01405	13.5
107.02134	0.8
109.02979	1.5
121.02956	0.9
123.04559	4.4
124.01696	1.2
125.02467	13.7
133.02980	1.3
134.03758	1.4
135.04530	1.6
137.02481	0.7
139.00420	0.8
149.02431	1.8
150.03255	7.2
151.00395	59.1
151.04021	11.9
152.01195	8.8
152.04332	0.5
153.01955	1.2
169.01433	1.7
171.55241	0.4
173.04584	1.0
173.06013	0.5
175.04039	2.3
176.01151	0.9
177.01941	3.1
177.69167	0.4
178.99881	14.5
179.07176	1.6
181.01450	0.4
185.06111	0.4
189.05519	0.6
191.05658	1.2
193.05063	0.7
193.08780	0.7
199.03975	1.8
201.01952	0.4
213.05797	0.4
217.05043	1.7
241.05074	1.8
243.03033	0.5
257.04559	1.1
259.05945	0.7
275.05597	1.5
285.04053	37.1
286.04391	3.0
289.07028	0.5
297.09775	2.8
302.04349	1.0
303.05099	15.3
304.05310	1.2
311.11331	0.6
323.07770	1.2
416.45444	0.4
441.13882	0.8
447.09299	0.5
449.10907	100.0
450.11215	12.0
467.15372	1.3
485.08398	1.3
485.16519	2.0
801.06128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56742	0.5
65.61340	0.5
67.01878	0.7
68.99841	0.8
69.03461	6.7
71.01388	86.3
71.05010	1.2
71.42748	1.2
72.01723	1.5
72.99317	4.6
73.02959	12.4
75.00877	2.3
78.95914	2.3
80.02695	2.1
80.96533	1.0
81.03473	5.2
83.01388	6.7
83.05035	9.5
84.02180	1.7
85.02445	0.8
85.02960	15.6
87.00890	13.5
87.04516	1.0
89.02453	33.0
93.03456	1.9
93.07182	0.6
95.01380	5.7
95.05035	5.5
96.96028	8.8
96.96995	2.6
97.02960	16.8
97.03560	1.1
97.06600	5.3
99.00908	5.0
99.04539	1.7
101.02460	37.1
101.80013	0.5
102.02830	0.9
103.00378	0.7
106.04246	0.9
107.05043	2.1
108.02200	0.7
109.02973	1.8
109.06617	10.5
110.03741	1.9
111.00894	1.9
111.04529	3.5
111.08173	5.2
113.01687	1.2
113.02467	20.0
113.06125	0.6
114.02827	0.7
115.03997	0.9
116.92887	0.7
119.02689	0.4
119.03519	9.9
119.04977	0.6
119.08659	0.8
121.03013	1.3
121.06588	1.5
121.10273	0.7
123.04539	2.8
123.08185	2.2
124.01671	0.7
125.02468	16.9
125.06122	2.0
125.09741	9.3
125.10598	0.8
127.04063	0.7
127.07664	1.1
127.11285	4.5
129.01924	0.8
131.03519	1.8
134.07483	0.5
135.08180	3.1
137.02502	1.8
137.09717	3.9
139.04024	1.3
139.07671	2.0
139.11308	1.2
141.01947	2.5
141.12900	0.9
142.02730	1.3
143.03534	7.4
144.88945	0.5
145.10223	0.8
147.08199	0.7
149.02534	0.9
149.04602	1.1
149.06151	0.7
149.09711	1.9
151.03992	0.6
151.11348	2.7
153.09213	1.8
153.12863	2.0
155.10771	3.0
161.04573	7.1
161.09738	1.9
162.04877	0.7
163.07669	0.7
163.11305	17.1
164.11606	1.2
165.09233	1.9
165.12859	7.7
167.03485	1.4
167.10788	2.0
169.12376	3.8
171.10289	59.4
172.10616	2.9
177.12910	0.9
179.05627	11.5
179.10814	2.6
179.14409	0.9
181.12346	7.6
183.10237	1.1
183.13914	2.2
185.04607	1.4
185.11853	8.2
186.12312	0.6
187.09810	0.9
189.09242	2.5
189.12874	0.7
191.10808	1.8
191.14392	2.6
193.12425	2.8
193.13910	0.5
193.16040	0.8
195.10265	0.8
195.13799	0.6
197.11852	24.8
198.12151	1.7
199.09790	1.4
199.13443	2.0
199.50108	0.6
201.11336	45.0
202.11708	2.5
203.05617	0.9
207.10284	32.5
208.10625	1.1
209.11841	94.9
210.12170	6.4
211.13400	10.6
212.13704	0.7
213.11385	1.2
215.12848	4.4
217.07175	1.4
217.16037	0.6
221.06711	5.0
221.11798	0.7
223.13365	1.6
225.11333	67.0
226.11713	4.8
227.12889	16.9
228.13264	1.3
235.08223	12.2
235.13371	0.7
236.08543	1.2
237.11259	0.9
243.12366	6.6
245.19070	5.8
247.20638	3.1
251.12903	0.8
253.09335	4.1
259.08105	0.7
263.07684	1.7
263.20255	3.2
273.18570	1.9
277.09277	0.9
279.19714	0.7
287.07675	2.9
289.18094	17.4
290.18417	1.7
291.19659	38.9
292.19971	4.0
293.21173	3.2
294.21655	0.7
305.08804	3.5
307.15619	0.8
307.19141	15.8
308.19354	1.9
309.20721	100.0
310.21115	11.0
323.09787	2.1
325.20142	1.6
333.20718	1.1
341.23325	6.9
351.21896	0.7
379.12393	6.5
380.12488	0.8
397.13528	65.1
398.13834	6.2
415.14578	26.5
416.15115	2.6
439.14722	3.9
457.15448	1.8
493.31491	0.7
569.24805	2.4
605.24664	5.3
606.25055	1.1
607.25836	1.1
623.25702	9.8
624.25867	0.9
641.26434	1.8
689.34662	1.5
707.34918	2.8
749.35754	1.0
897.45758	0.9
915.46204	10.6
916.46692	3.6
933.47467	3.9
934.46722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.9
69.03445	3.9
71.01387	100.0
72.01728	1.2
72.99301	4.2
73.02967	5.4
75.00864	2.2
80.96530	2.3
81.03448	2.1
83.00948	0.7
83.01380	3.9
83.05029	3.8
85.02972	9.0
87.00887	33.7
87.01424	1.7
89.02459	19.6
93.03518	0.9
95.01392	2.3
95.05050	1.8
96.96014	1.5
97.02974	9.3
97.06596	1.8
98.20739	1.5
99.00900	3.2
101.02457	18.8
107.05028	0.9
107.86707	1.0
109.02966	1.2
109.06615	8.6
110.03728	1.7
111.00887	2.3
111.04536	5.4
111.08170	6.1
113.02464	8.5
119.03507	5.2
122.03689	1.3
123.00854	0.9
123.04531	1.9
123.08187	1.2
125.02459	9.9
125.09765	4.9
127.11349	1.6
127.14129	1.0
135.08284	1.5
136.05310	1.3
137.02504	0.9
137.09760	0.9
138.80083	0.9
139.04031	1.3
141.01959	1.8
142.02791	0.9
143.03523	2.7
149.09706	0.8
151.11229	1.3
153.09230	2.2
155.10780	1.4
161.04616	4.0
161.09718	4.3
163.11314	6.2
167.10777	1.8
169.12329	1.1
171.10292	24.5
177.09271	1.6
177.12865	1.4
179.05608	5.5
179.10776	6.9
181.12378	3.8
183.10316	1.2
185.11861	3.0
187.09645	1.1
195.13921	8.3
197.11856	4.8
201.11372	8.9
205.08682	7.7
207.10275	22.1
208.10606	1.0
209.11871	6.0
210.12146	1.2
211.13336	1.9
213.11334	2.0
215.12883	1.6
221.06642	2.7
223.09770	19.6
223.13257	7.1
225.11333	17.9
225.14662	1.1
226.11676	1.9
235.08211	5.1
241.10759	2.2
243.12299	2.7
247.20654	0.9
253.09406	1.4
263.07797	1.3
275.20203	4.1
287.07550	0.9
291.19653	40.2
292.19949	4.4
293.21234	49.9
294.21536	5.8
305.08722	1.7
309.20679	1.9
323.09903	1.2
327.21738	1.6
329.00546	1.0
341.23172	2.0
379.12476	1.5
397.13559	22.0
398.13599	1.7
415.14493	10.0
416.14923	1.0
472.94064	0.9
499.30472	1.6
603.22888	1.1
621.24652	1.2
623.25690	2.7
624.26282	1.2
654.61005	1.0
847.39215	1.4
859.51923	1.5
897.44806	2.4
898.45764	1.0
915.47253	4.6
933.48285	6.4
934.48462	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	933.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99837	1.3
69.03461	2.5
71.01389	100.0
71.05013	1.0
71.72379	1.0
72.01732	1.9
72.99319	4.7
73.02950	5.7
75.00878	2.2
79.95745	2.2
80.96521	5.2
81.03468	3.6
83.01398	4.0
83.05015	4.4
85.02969	8.8
87.00889	29.6
88.24831	0.9
89.02453	21.1
95.01416	2.6
95.05038	1.6
96.96013	1.8
97.02948	8.1
97.06607	2.1
99.00898	3.1
101.02461	20.6
109.02962	2.2
109.06607	8.9
110.03760	2.0
111.00901	1.4
111.04507	6.4
111.08168	4.4
113.02452	10.1
116.92867	1.5
119.03551	5.9
121.03037	1.0
121.06548	1.2
123.04529	3.0
125.02476	9.8
125.09731	7.9
127.11302	2.3
131.03488	1.4
135.08200	1.8
137.02487	1.3
139.04041	1.2
139.11359	1.1
141.01996	1.3
142.02739	2.0
143.03519	5.6
151.11296	1.9
153.09290	1.7
155.10835	2.0
159.08093	1.0
161.04607	5.4
161.09755	3.6
162.89421	1.4
163.11301	8.1
164.11566	1.1
167.10794	2.0
171.10298	25.8
172.10622	1.9
177.09236	1.2
179.05624	5.7
179.10844	6.5
180.05959	1.1
181.12376	3.7
185.11838	2.9
187.09764	3.4
187.99268	0.9
189.09227	1.2
195.13876	4.5
197.11818	5.9
199.09766	0.9
199.13455	1.5
201.11334	15.2
205.08740	9.2
207.10266	23.5
209.11855	8.4
210.12251	2.8
211.13428	3.2
213.11337	4.1
215.12820	2.2
221.04652	1.1
221.06677	3.9
223.09775	27.8
223.13353	3.8
224.10144	2.2
225.11334	25.0
226.11705	2.2
227.12958	2.2
235.08240	5.7
235.17149	1.1
241.10771	3.1
243.12433	2.6
247.20534	1.0
253.09348	1.5
263.07840	1.1
275.20157	4.3
291.19647	32.6
292.20148	5.2
293.21234	33.9
294.21594	3.9
305.08832	1.5
309.20676	2.9
327.21729	3.2
341.23618	1.1
379.12485	1.5
397.13535	21.3
398.13861	3.3
415.14685	10.7
603.23029	1.4
621.24036	3.3
623.25934	5.0
624.25177	1.2
861.72534	1.1
897.44934	3.7
898.46021	1.5
915.45978	2.8
933.47589	6.7
934.48840	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	931.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.2
69.03453	0.2
71.01385	0.5
73.02941	0.2
79.80829	0.1
81.03474	0.3
83.01394	0.3
83.05048	0.2
85.02959	6.1
86.03303	0.1
87.00880	1.3
93.03466	2.3
94.03786	0.1
95.01385	0.1
95.05030	0.1
97.02959	0.3
98.19763	0.1
99.00900	0.1
99.04543	0.2
101.02529	0.1
102.80058	0.1
109.02981	1.3
110.03335	0.1
111.04536	0.8
121.02976	0.2
122.03753	0.1
123.04533	0.5
125.02465	4.3
126.02798	0.2
127.04028	1.8
128.04294	0.1
133.02975	1.3
134.03282	0.1
135.04556	0.9
136.11206	0.1
137.02475	1.2
139.04051	0.1
145.02962	0.1
145.05188	0.1
149.02437	0.3
151.04025	0.5
155.03496	0.2
155.10229	0.1
159.04530	0.1
161.02461	4.0
161.06065	0.1
162.02858	0.3
163.00342	0.1
163.04027	0.1
164.01160	0.2
165.01947	0.2
165.82190	0.1
167.03474	0.1
171.03062	0.5
173.04588	1.1
173.06009	0.1
175.03969	0.5
175.07718	0.1
177.01932	0.4
178.02383	0.1
178.62193	0.1
179.03499	1.0
187.04031	0.3
188.04662	0.1
189.01958	0.1
191.05626	100.0
192.05968	4.1
193.06410	0.1
199.04068	0.1
203.03346	0.1
203.07066	0.3
205.05023	0.4
208.84012	0.1
215.03545	0.1
217.05109	0.1
221.08315	0.1
227.03575	0.1
227.07104	0.1
228.04245	0.1
229.05016	0.2
231.06680	0.1
243.02986	0.2
244.03589	0.1
245.04614	0.3
245.08179	0.7
246.04715	0.1
255.02985	0.4
256.03690	0.3
261.04144	0.1
269.04596	0.1
273.04111	0.2
281.04468	0.2
283.02682	0.1
285.04044	0.2
287.05588	0.7
289.07175	2.6
290.07471	0.3
299.05597	0.3
339.08737	0.3
351.07278	0.2
352.07800	0.1
353.08783	24.2
354.09125	2.5
381.09973	0.2
407.07718	2.7
408.08160	0.5
409.08188	0.1
425.08786	4.1
426.09192	0.6
427.09125	0.1
451.10361	0.9
452.10361	0.1
559.12659	0.1
577.13586	2.8
578.13940	0.7
882.01312	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	933.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.5
68.99837	0.1
69.03445	0.2
70.98721	0.2
71.01393	0.5
73.02943	0.2
79.01894	0.1
81.03462	2.3
81.03912	0.1
82.03814	0.1
83.01395	7.8
84.01745	0.1
85.02962	0.2
89.40096	0.1
93.03468	0.3
95.01408	0.1
95.05054	0.3
97.02972	0.9
101.02460	0.3
105.03487	0.4
107.01406	1.3
109.02981	0.2
111.04523	0.1
113.02467	0.3
117.56818	0.1
121.02963	0.8
123.00880	0.2
123.04527	0.8
123.08184	0.3
124.01697	0.3
125.02463	100.0
125.06040	2.0
126.02795	3.1
126.06463	0.1
133.02979	0.2
135.04517	0.1
137.02454	0.5
139.04030	2.4
140.04393	0.1
141.09268	0.1
148.01680	0.1
149.02461	12.6
150.02794	0.6
151.00388	1.9
151.03934	0.4
155.05104	0.1
161.02425	0.2
161.04547	0.4
163.04028	0.3
164.01358	0.1
165.01819	0.1
165.09238	1.0
167.03514	6.6
167.07137	0.3
168.03833	0.3
169.01443	0.3
173.02460	0.6
173.05980	0.1
175.00381	0.2
175.04050	0.3
176.50179	0.1
177.01953	0.2
179.03526	1.3
180.04047	0.1
187.04169	0.1
191.03519	0.7
191.70674	0.1
193.01439	0.1
199.03998	0.4
203.03409	0.1
204.04355	0.1
207.10318	0.3
209.04585	0.4
209.08231	0.1
217.05148	0.2
233.08157	1.1
243.02989	1.4
244.03256	0.1
244.51491	0.1
251.09238	10.9
252.09526	0.9
259.02475	0.2
261.04019	1.6
262.04495	0.1
269.06622	0.2
275.09232	3.8
276.09467	0.4
287.07742	4.2
288.08041	0.3
293.10248	1.0
294.10660	0.1
303.05008	0.2
305.10464	0.2
329.08887	0.3
353.12299	0.4
395.13416	0.3
413.14532	53.3
414.14862	6.4
417.08374	0.2
435.09048	0.1
477.10260	0.7
478.10803	0.1
519.11456	1.5
520.11572	0.3
591.93311	0.1
662.21960	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	931.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00310	0.7
70.29186	0.8
71.01386	3.1
72.26711	0.3
72.99309	0.3
73.02943	0.3
83.01406	0.7
85.02941	1.0
89.02452	2.0
101.02456	2.1
107.01395	1.9
107.05028	0.6
108.02197	0.4
109.02954	1.2
113.02464	0.6
119.03501	0.4
121.02950	1.4
123.07350	0.5
123.08186	7.1
123.74547	0.3
125.02456	0.5
135.00909	0.5
135.93018	0.3
148.01689	0.7
149.02429	0.3
151.00392	7.5
152.00636	0.3
163.00383	2.0
164.01096	0.3
169.01457	0.4
175.11314	0.6
178.99898	3.7
185.06065	0.2
187.04012	0.4
191.00073	0.3
191.05608	3.0
192.00874	0.3
192.05931	0.7
195.34962	0.2
199.04008	0.4
201.05487	0.3
203.03641	0.3
204.11493	0.9
211.03925	0.6
215.03642	0.3
226.02681	0.4
227.03445	1.5
228.03944	0.4
229.05009	0.8
230.09448	0.3
239.03424	0.3
243.03061	2.7
244.03537	0.5
245.04474	1.0
254.02264	0.9
255.02974	11.4
256.03333	1.3
267.13992	0.3
271.02466	20.3
272.02890	2.2
273.04007	0.8
283.02469	1.1
299.01889	0.4
300.02762	49.8
301.03503	39.9
302.03857	3.7
447.09335	100.0
448.09665	14.1
449.09683	0.5
465.20825	0.3
481.17230	0.6
482.17572	0.5
483.22379	29.6
484.22754	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	931.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.5
69.03458	0.5
71.24211	1.2
71.24551	0.9
81.03465	2.4
83.01404	4.1
83.05039	0.5
85.02959	5.4
87.00883	1.7
93.03447	4.5
95.01401	1.2
95.05041	2.2
97.02966	4.2
99.04493	0.7
102.33192	0.5
105.03462	0.7
107.05047	1.3
108.02186	1.1
109.02972	20.6
111.04543	1.2
112.57590	0.4
116.80199	0.5
117.03458	0.9
119.05040	0.7
121.02982	3.6
122.03754	0.9
123.04543	13.9
124.04887	0.5
125.02466	100.0
126.02810	4.1
127.04049	1.0
131.05040	0.5
133.02988	6.5
134.03236	0.7
135.04546	4.6
137.02467	24.0
138.02924	0.7
139.04025	3.1
145.02975	1.1
146.03754	0.9
147.04524	1.8
149.02443	5.7
150.03203	1.5
151.04031	13.6
152.04369	0.6
157.06699	0.6
159.04532	2.7
160.05266	1.1
161.02469	32.9
161.06056	4.7
162.03127	2.4
163.00351	1.8
163.04027	4.6
164.01190	5.0
165.01921	6.6
166.02525	0.6
167.03525	2.7
171.02957	0.7
173.04674	0.9
173.06096	1.5
174.03162	1.0
175.04007	11.2
175.07648	1.8
177.01947	7.0
177.05589	1.4
178.02519	1.2
179.02107	0.5
179.03534	7.2
183.04561	0.5
185.06081	1.4
187.04010	6.9
188.04811	3.2
189.05531	1.5
191.05624	67.2
192.05928	4.0
199.04036	1.0
199.07524	0.6
201.05576	2.2
202.06404	2.0
203.03496	1.9
203.07138	10.2
204.07521	1.0
205.01385	2.5
205.05061	8.2
211.04045	0.8
212.04636	0.8
213.05498	1.3
214.02826	0.8
215.03474	1.9
217.05035	2.7
221.08189	2.1
225.05574	0.8
227.03542	1.5
227.07111	2.1
228.04254	1.7
229.05096	3.5
230.05600	0.9
231.03003	1.2
237.05383	0.5
239.07414	0.5
241.04990	1.4
243.02960	3.3
243.06667	1.0
245.04530	7.4
245.08186	15.8
246.04831	0.6
246.08574	1.9
247.06102	1.9
253.05020	1.5
255.03000	9.6
255.05939	0.9
255.06425	0.7
256.03723	6.3
257.04498	2.6
269.04654	2.7
271.06131	1.8
273.04068	5.0
281.04572	4.7
282.01782	1.0
282.05017	0.7
283.02466	1.8
284.03134	1.3
285.04083	4.3
285.07275	0.8
287.05585	13.5
288.02960	0.8
288.06006	1.1
289.07178	60.7
290.07565	5.1
297.04047	1.5
297.07513	0.8
298.04626	0.9
299.05688	6.0
300.05905	0.7
321.07562	0.8
329.06577	1.0
339.08716	6.0
340.09265	1.0
351.07187	1.6
353.08746	8.5
354.09125	0.9
375.96841	0.5
381.09750	2.4
389.06860	0.5
407.02127	1.1
407.07718	65.5
408.08096	9.2
425.08798	68.0
426.09183	10.2
439.10364	1.6
445.47281	0.6
449.08228	0.6
451.10373	19.4
452.10660	3.1
492.32083	0.5
559.12598	3.5
560.12714	0.8
577.13556	72.4
578.13916	15.4
579.13599	1.1
634.28381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	28.3
71.72302	23.2
83.05051	10.7
85.02975	15.1
88.98800	31.4
89.02422	19.6
93.03477	17.5
96.96048	14.7
101.02494	13.8
109.02959	13.2
112.77879	11.8
125.02464	51.3
137.02440	22.1
149.02455	11.8
151.00385	22.3
151.04021	16.0
191.05626	58.7
209.11897	100.0
210.12192	43.6
210.40321	13.3
223.09706	33.4
227.12860	13.1
264.47781	14.9
277.12445	12.6
284.03174	16.6
289.07214	18.8
397.13464	13.9
416.74045	13.9
545.16693	36.1
607.73212	12.7
930.41754	22.2
931.41388	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	929.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43374	0.2
69.83312	2.0
71.01389	3.3
73.02951	1.0
77.43009	0.3
81.03480	0.8
83.01396	1.0
85.02961	1.7
87.00897	0.5
93.03479	0.7
98.19868	0.5
99.04533	47.2
100.04877	1.4
101.02456	12.8
109.02932	0.3
109.84576	0.3
110.87997	0.3
113.02476	1.6
116.24966	0.3
121.02934	0.8
122.03814	0.4
123.04552	0.5
125.02466	26.1
126.02796	0.7
137.02539	0.6
143.03539	2.4
144.03851	0.3
147.04524	0.9
148.05325	97.8
149.05635	4.9
159.03047	0.4
161.02466	0.6
161.04572	3.6
163.07671	100.0
164.07996	5.7
181.78642	0.3
191.05618	0.8
203.05658	1.8
209.11867	0.4
225.07680	0.4
243.08707	1.5
289.07260	0.5
325.12863	2.1
367.13965	6.1
368.14398	0.5
407.16956	1.2
425.18546	0.5
449.14688	0.5
469.17160	33.1
470.17474	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	929.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00312	2.2
67.01878	0.3
70.73071	0.3
70.73414	1.1
71.01385	0.8
71.60309	0.3
75.00887	0.4
81.03463	0.6
83.01389	1.7
85.02961	1.8
87.00885	0.5
89.03980	0.6
93.03464	1.8
95.05031	0.8
107.01405	2.7
107.05096	0.4
108.02263	0.5
109.02972	17.2
110.03332	0.6
111.04571	0.5
117.03472	0.5
119.05032	0.9
119.11813	0.3
121.02975	1.3
123.04542	11.5
124.01675	0.4
124.04945	0.3
125.02468	4.4
126.02786	0.8
127.04047	0.5
131.05061	0.5
133.02968	4.1
134.03746	1.0
135.00851	0.4
135.04524	1.3
137.02428	1.9
139.03951	0.4
141.37045	0.3
145.02980	1.1
147.04553	2.7
148.01633	0.4
149.02469	1.2
150.03236	2.0
150.99161	0.5
151.00389	10.7
151.04019	7.3
152.00729	2.8
152.04332	0.7
153.00865	0.7
155.03702	0.3
159.04527	1.1
161.02461	6.2
161.06062	0.5
162.03270	1.6
163.04085	2.2
164.01247	0.3
166.20108	0.3
167.03482	0.3
168.96193	0.3
169.01433	0.5
173.02458	0.6
173.04582	1.1
173.06036	0.7
175.04053	1.8
176.01160	1.0
176.04355	0.6
177.01950	23.0
178.02318	1.3
178.99916	2.1
185.11896	0.4
187.04050	3.0
187.07664	0.8
188.04756	1.0
189.01952	34.6
190.02704	8.6
191.03535	7.2
191.05626	21.5
192.04263	0.4
192.05914	1.5
193.06284	0.3
199.03989	1.8
200.04460	0.4
201.01991	0.7
201.05609	0.5
202.06360	0.4
203.03514	3.4
203.07178	0.4
204.04129	0.4
205.01434	0.7
205.04967	0.4
205.08727	0.4
214.02788	0.4
215.07190	0.4
216.00642	5.5
217.01427	26.2
217.05057	1.1
218.02071	2.7
219.03000	10.8
220.03317	0.5
227.07198	1.2
229.08624	0.8
231.02991	9.0
231.10408	0.7
232.03719	1.1
233.04482	1.0
243.02980	5.6
244.03340	1.0
245.04527	0.5
245.08223	0.6
247.09798	0.4
255.03012	1.8
255.06526	0.6
256.03470	0.6
257.04562	0.9
257.08044	0.6
258.08350	0.4
261.04031	7.8
262.04425	1.3
271.02521	2.4
272.02823	0.6
273.03326	0.3
275.09195	2.3
276.09628	1.2
281.04501	3.4
282.04883	0.4
283.02521	0.4
285.04041	3.7
286.04276	2.1
287.05136	1.3
287.08914	0.4
289.03848	0.6
289.07138	1.7
289.10742	0.9
297.07541	2.3
299.02277	0.4
299.05576	5.0
300.02795	3.9
300.05914	0.8
301.03452	6.8
302.03665	2.7
303.05060	2.6
304.05478	1.6
305.05554	0.7
319.04660	2.1
323.05435	1.6
327.05206	0.4
339.07181	0.4
341.06674	73.8
342.07007	6.8
368.39035	0.3
386.24518	0.3
408.08142	0.4
435.09372	0.3
437.14389	0.9
437.35504	0.3
445.07880	1.0
447.09369	4.7
448.09583	2.9
449.10074	5.5
450.10596	4.8
451.10358	100.0
452.10699	12.0
463.16885	0.4
477.11160	5.0
478.10617	1.2
479.11020	0.6
481.09735	1.4
481.17157	6.2
481.23077	0.5
482.17383	0.6
627.52289	0.3
906.20807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.8
66.85517	0.3
67.01882	1.7
69.03446	0.6
71.01377	1.6
71.72250	0.3
73.02948	0.5
77.03977	0.3
81.03430	0.7
83.01383	0.5
83.05025	1.4
83.29359	0.3
85.02959	7.6
87.00892	3.5
89.03987	0.5
93.03473	14.8
94.03813	0.8
95.05071	0.6
97.06607	1.3
99.04525	0.6
105.03474	4.2
107.01377	0.8
109.02953	1.2
111.00924	0.3
111.04535	5.6
113.02496	0.5
117.03478	2.1
119.05019	0.6
121.02961	1.0
123.04556	1.6
125.02498	1.4
127.04002	1.7
129.01938	0.5
132.02219	0.3
133.02982	15.1
134.03764	29.5
135.04584	8.2
135.98399	0.3
136.04869	0.3
137.02469	2.8
139.03999	1.0
143.03448	0.4
145.02931	0.8
145.06471	0.2
146.03758	0.6
148.05345	2.7
149.02466	0.9
150.03242	0.7
151.00418	2.9
151.04010	1.0
151.69547	0.3
155.03542	4.2
159.04530	0.6
160.01753	0.4
161.02434	1.8
162.03252	9.9
163.03728	0.5
169.01404	0.3
169.52536	0.2
171.02982	0.4
172.05287	0.7
173.04572	11.8
173.05965	0.5
174.03242	1.0
174.04770	0.5
174.06905	1.4
175.04044	1.1
177.01939	5.4
178.02710	4.5
178.99863	0.8
179.03363	0.3
185.02472	0.3
187.04063	0.6
187.07648	1.8
191.05629	81.7
192.05983	3.2
197.06122	0.4
199.03972	1.9
200.04739	0.6
201.09184	1.1
202.42381	0.3
203.10785	6.3
204.11172	0.3
205.08691	0.9
213.05655	0.5
213.09216	1.5
217.05125	0.5
228.04378	0.4
229.08647	3.0
231.10265	29.0
232.10640	2.3
243.02975	5.3
244.03294	0.3
247.09827	1.1
255.02867	0.3
257.08197	16.1
258.08536	1.1
260.98001	0.3
261.04053	6.5
262.04373	0.7
269.04428	0.6
271.02469	0.9
272.03058	0.4
275.09238	100.0
276.09613	8.2
285.03970	1.5
300.02765	1.5
301.03458	3.2
302.03818	1.1
303.05054	0.5
351.07138	0.3
375.76871	0.4
431.13449	3.7
432.13605	0.7
445.07788	0.5
447.09344	1.4
448.09659	1.6
449.14600	76.5
450.14938	10.9
463.08923	1.1
477.10574	3.1
478.11053	0.4
674.24194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	0.7
68.91360	0.1
69.50063	1.0
69.50405	0.2
83.01389	0.3
85.02958	0.2
91.01911	0.2
92.69226	0.1
93.03443	0.2
100.18237	0.1
107.01401	1.9
108.02197	0.7
109.02978	0.8
121.02964	1.5
124.01628	0.1
125.02462	0.3
135.00877	0.4
148.01700	0.6
149.02438	0.3
151.00389	6.9
152.00893	0.3
153.01932	0.2
155.05089	0.1
159.04498	0.2
161.02431	0.2
163.00385	1.6
164.01097	0.5
169.01410	0.4
178.99879	3.7
179.01485	0.2
180.00244	0.2
183.04538	0.1
187.04001	0.4
187.07681	0.3
188.04694	0.1
190.99940	0.2
191.05611	0.9
192.00635	0.3
193.01451	0.2
199.03944	0.4
201.02019	0.2
201.05548	0.3
202.06184	0.1
203.03613	0.2
211.03993	0.6
214.02817	0.1
215.03540	0.3
216.04343	0.2
226.02638	0.9
227.03537	1.5
228.04128	0.2
229.05038	0.3
231.10231	0.3
239.03471	0.2
243.02962	5.3
244.03497	0.5
245.04485	1.0
254.02229	1.3
255.02968	14.8
256.03384	1.5
257.04538	0.2
271.02454	33.1
272.02875	3.6
273.03995	0.7
275.09311	0.4
283.02426	0.8
299.02011	0.8
300.02744	72.2
301.03439	30.8
302.03854	2.1
343.04514	0.2
371.72580	0.1
449.14462	0.7
461.07501	0.2
462.07870	0.2
463.08774	100.0
464.09122	11.7
477.06656	1.0
701.71716	0.1
713.44690	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	927.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	3.1
69.81605	0.9
69.82013	0.8
71.01402	2.9
81.03478	0.3
83.01393	2.5
83.05102	0.3
85.02964	4.4
87.00897	2.5
88.43260	0.3
91.01878	0.4
93.03463	3.2
95.01390	0.6
99.00913	0.5
107.01400	7.0
108.02167	0.7
109.02966	4.6
111.04539	0.9
113.02478	1.4
119.01393	0.3
121.02975	6.7
124.01748	0.3
125.02491	0.8
127.04040	0.6
129.02014	0.3
135.00941	0.6
135.04494	0.3
136.76762	0.3
137.02463	0.4
139.04037	0.5
146.03738	0.5
147.00952	0.3
148.01677	0.6
149.02448	1.0
149.06131	0.4
151.00391	31.1
152.00763	1.4
155.03517	0.7
158.03789	0.4
159.04530	1.8
161.02457	0.8
161.06004	0.4
163.00398	4.5
163.04016	0.5
164.01115	0.5
165.01855	0.3
167.05103	0.3
169.01416	1.8
172.05316	1.9
173.04564	2.0
173.06075	2.4
175.02480	1.2
175.04031	1.1
178.99872	14.6
180.00172	0.6
182.03807	0.3
183.04523	1.1
184.05211	0.3
185.06038	0.5
187.04070	2.2
187.07655	15.1
188.04462	0.3
188.07985	1.0
189.05586	0.4
190.99913	0.6
191.05627	31.8
192.00671	0.3
192.05971	1.1
193.01347	0.4
199.04028	0.5
200.04782	1.1
201.05598	2.9
201.09282	0.3
202.06381	5.0
203.03542	0.7
203.06740	0.4
203.10765	0.8
203.95859	0.3
204.04199	0.3
205.05142	0.4
211.03993	1.8
211.07655	0.4
212.04732	0.4
213.01941	0.4
213.09209	4.2
215.03604	0.6
215.07147	4.9
216.07791	1.0
227.03496	2.8
228.04247	1.1
229.05096	1.8
229.08652	1.9
230.09218	0.4
231.06676	3.2
231.10240	8.7
232.10535	0.8
234.91946	0.3
239.03513	0.7
240.04155	0.3
243.03017	2.8
243.05319	0.4
244.03423	0.3
245.04585	3.3
254.02130	0.6
255.02979	10.4
256.03665	1.5
257.04611	0.9
257.08163	4.0
271.02448	12.3
272.02948	1.5
273.03992	2.3
275.09244	19.9
276.09525	2.0
283.02542	2.4
286.04791	0.6
299.02072	1.7
300.02759	24.4
301.03534	100.0
302.03870	8.4
405.11984	0.6
410.43060	0.3
417.40448	0.4
449.14706	26.4
450.15201	3.5
463.08810	26.6
464.09256	3.8
477.06741	69.1
478.07095	8.4
479.07159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74501	86.1
70.74859	53.8
73.51961	33.5
113.13726	32.4
131.85834	34.2
195.09137	33.3
207.10207	30.0
209.11824	100.0
210.12114	73.6
222.28786	38.4
255.23334	42.5
256.23663	38.0
358.82605	33.2
605.56116	33.7
671.95673	32.2
698.32886	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	53.8
71.42975	29.3
85.02986	30.7
89.02448	44.4
98.19830	65.3
101.02493	36.7
116.92873	47.0
135.08235	29.3
207.10268	98.2
208.10600	42.8
225.11235	44.5
230.04323	29.6
255.23296	100.0
256.23676	54.4
274.42429	25.5
397.13480	55.2
443.28116	39.4
814.11646	32.4
863.49774	44.2
864.50146	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	1.2
69.58281	1.7
69.58622	0.3
83.01387	0.7
91.01899	0.2
93.03436	0.2
105.05031	0.3
107.01408	2.5
108.02190	0.7
109.02965	1.8
119.01409	0.3
121.02969	2.1
123.00912	0.3
125.02440	0.2
135.00908	0.5
139.04053	0.2
142.72560	0.2
148.00630	0.2
148.01625	0.9
149.02429	0.5
151.00391	11.1
151.18330	0.2
152.00731	0.4
155.04945	0.2
159.04616	0.2
163.00389	2.5
164.01118	0.2
169.01442	0.6
173.06165	0.2
175.03954	0.4
178.99883	5.6
180.00206	0.4
183.04489	0.5
185.06097	0.2
187.03984	0.5
189.05536	0.2
190.99870	0.3
192.00618	0.2
199.03981	0.7
201.05589	0.6
203.03555	0.3
211.03984	1.1
215.03560	0.4
216.04358	0.3
226.02623	0.6
227.03491	2.1
229.05057	0.8
230.02174	0.2
239.03439	0.3
243.02994	5.9
244.03555	0.6
245.04494	1.4
254.02203	1.0
255.02969	14.7
256.03339	1.5
257.04678	0.2
261.03949	0.7
271.02460	29.2
272.02881	2.7
273.04059	1.2
283.02368	1.9
299.01959	0.8
300.02753	60.5
301.03488	47.5
302.03873	4.9
427.18765	0.2
445.07822	0.3
446.08313	0.3
447.09323	100.0
448.09662	13.5
477.06894	0.7
613.58441	0.2
750.62122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08787	3.5
71.01386	14.3
71.03126	0.7
73.02950	2.5
78.66196	0.7
81.03456	1.4
83.05045	4.9
84.02201	0.7
85.02942	3.7
87.00903	4.4
89.02457	11.7
95.01416	1.4
97.02941	2.1
101.02452	11.9
113.02473	7.2
119.03514	2.7
121.49423	0.8
122.38698	0.8
125.02453	6.4
125.06092	0.9
143.03485	2.1
161.04573	3.3
163.11275	4.9
165.12830	2.3
179.05585	2.9
184.76955	0.7
209.11844	100.0
210.12115	5.9
217.07104	1.1
221.06720	1.1
227.12912	13.8
235.08121	4.3
253.09152	0.8
255.23297	52.5
256.23602	3.3
287.07788	1.2
305.08624	2.0
323.09952	1.5
379.12460	13.4
380.12897	1.7
397.13547	42.1
398.13782	2.6
415.14407	6.1
589.25140	2.4
607.25928	2.5
635.37109	2.4
653.37787	4.8
711.51056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	2.8
71.01384	2.5
71.26375	0.2
71.71818	0.2
72.99315	0.4
75.00879	0.5
83.01389	2.3
85.02962	1.6
87.00884	0.4
91.01895	0.3
93.03484	1.1
95.01399	0.7
99.00903	0.5
99.56245	0.2
103.00389	0.5
107.01404	7.2
109.02972	3.2
113.02459	1.7
119.01406	0.6
121.02973	7.1
122.03346	0.2
124.01714	0.4
125.02448	0.3
129.01942	0.2
133.68112	0.1
135.00902	0.4
137.02519	0.2
139.04057	1.0
145.02963	0.2
146.03778	0.2
148.01730	0.3
149.02481	1.2
151.00394	29.1
152.00696	1.2
155.05066	0.2
157.06587	0.2
159.04544	0.9
161.02499	0.4
163.00395	4.2
163.01801	0.2
163.03996	0.3
164.01099	0.5
165.01862	0.2
167.05078	0.4
169.01462	2.5
171.04523	0.3
173.06084	0.5
175.02481	1.0
175.04056	0.6
178.99883	14.6
180.00229	0.8
183.04520	0.7
185.06107	0.3
187.03999	0.8
189.01904	0.2
190.99915	0.4
191.05672	0.2
192.00620	0.5
193.01431	0.6
195.04547	0.3
196.00121	0.2
199.04039	0.4
201.05595	0.7
203.03542	0.4
205.05127	0.2
211.04050	1.9
212.04665	0.2
213.01941	0.3
213.05534	0.3
214.02789	0.2
215.03473	0.2
216.04237	0.2
222.11005	0.2
227.03496	1.3
228.04277	0.3
229.05078	1.6
230.02133	0.2
231.03009	0.2
239.03424	0.7
239.12936	0.5
240.04329	0.4
243.02939	0.7
245.04530	3.1
246.04822	0.3
255.02979	4.9
256.03665	0.7
257.04547	0.5
266.02170	0.3
271.02435	1.6
272.02945	0.4
273.04022	2.2
283.02472	2.4
283.11832	0.6
284.02982	0.3
299.01996	1.4
300.02643	1.6
301.03540	100.0
302.03876	8.4
313.91965	0.2
328.58331	0.2
369.12326	0.2
400.44778	0.2
445.17224	1.2
446.17230	0.2
477.06747	75.2
478.07071	10.1
609.14587	0.3
610.14996	0.4
611.15070	0.3
663.86761	0.2
762.74915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30157	3.5
71.01388	10.0
72.99299	0.9
73.02959	1.1
77.92346	0.8
78.95908	1.4
83.01422	1.2
83.05032	3.5
85.02956	1.9
87.00883	3.2
89.02450	9.8
90.45637	0.9
97.02979	1.4
99.00896	0.9
101.02448	8.7
104.06177	0.8
107.63399	0.7
107.68082	0.7
109.06627	0.7
113.02500	4.6
116.92861	3.1
119.03509	3.5
125.02457	5.8
131.03510	0.8
143.03459	2.0
149.04608	1.1
151.03912	0.8
161.04617	4.7
163.11276	2.9
165.12851	1.2
171.10263	1.2
173.10017	0.8
179.05585	7.0
206.14777	0.9
209.11836	100.0
210.12167	6.1
221.06664	2.3
227.12895	22.8
228.13240	1.5
235.08139	4.5
251.12900	1.5
253.09174	1.3
277.21710	48.3
278.22012	5.2
287.07736	1.9
305.08740	3.0
323.09839	3.5
379.12466	16.0
380.12491	1.3
397.13516	57.9
398.13641	4.1
415.14551	14.2
589.25061	7.4
590.25696	1.2
607.26062	8.8
608.26135	1.8
615.39484	0.9
657.34875	2.6
675.36359	4.8
811.19098	0.9
847.56622	2.2
858.37781	1.1
867.47485	2.0
885.47827	0.9
921.46454	35.0
922.46869	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	921.509
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38238	0.9
66.49039	0.7
69.03452	2.1
69.71218	6.2
71.01387	26.5
72.99316	2.5
73.02975	4.0
75.00891	1.5
78.43873	0.9
80.02683	1.0
81.03455	3.3
83.01415	2.0
83.05031	3.2
85.02949	6.6
87.00895	5.7
89.02451	18.5
92.10423	0.8
95.01411	1.7
97.02964	12.9
99.00900	3.8
101.02465	18.4
107.05019	1.2
109.06606	31.7
109.07345	1.8
110.03719	1.9
113.02471	10.4
116.92883	1.2
119.02761	0.9
119.03514	5.0
121.06599	1.6
123.04556	1.5
125.02447	6.3
131.03549	1.1
135.08179	3.6
136.05324	1.5
141.02011	1.2
142.02695	2.5
143.03513	2.7
145.10251	0.9
161.04616	3.7
161.09714	1.9
163.11296	17.5
163.12512	1.5
164.11664	1.4
179.05647	5.8
181.12401	4.1
189.09229	2.2
207.10275	100.0
208.10585	5.9
209.11816	2.8
221.06682	1.6
225.11325	33.5
226.11633	2.1
235.08240	6.1
243.12343	1.0
253.09380	1.1
255.23280	81.9
256.23611	7.9
281.13791	1.1
287.07773	1.7
299.15018	1.4
305.08752	1.4
323.09903	2.0
379.12491	10.6
397.13525	61.8
398.13821	5.1
415.14606	13.6
416.14838	0.9
419.35461	1.1
422.21600	1.0
471.67328	0.8
587.23309	2.6
605.24554	7.9
606.25256	1.7
623.25690	3.8
635.36884	2.8
636.38190	1.3
641.53046	1.1
653.37787	7.8
843.47870	3.8
852.19531	1.1
861.48865	77.5
862.49261	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	0.4
69.03455	1.5
70.17116	0.5
70.17517	0.5
71.01385	18.0
71.05012	0.3
72.01715	0.3
72.99310	1.5
73.02950	1.9
75.00871	0.4
75.24882	0.2
75.96437	0.2
78.95908	0.3
80.02673	1.4
80.96524	0.3
81.03460	2.1
83.01394	1.6
83.05031	6.2
84.02171	0.7
84.05276	0.3
85.02956	3.9
87.00886	4.1
87.04547	0.2
89.02450	13.1
90.02782	0.2
93.03474	0.6
95.01406	1.3
95.05023	0.8
96.96012	1.6
96.96984	0.5
97.02975	2.7
97.06594	0.6
99.00893	1.0
99.04522	0.3
101.02454	13.4
102.02782	0.3
109.02958	0.5
109.06590	0.9
111.00892	0.4
111.04516	0.5
111.08169	9.9
112.01766	0.2
112.08489	0.5
113.02463	7.8
119.03516	3.0
121.02977	0.5
123.00878	0.4
123.08157	0.3
125.02457	5.9
125.06101	0.7
125.09798	0.4
127.07687	0.8
131.03531	0.7
135.08171	0.9
135.09135	0.2
137.02496	0.4
137.09683	0.5
139.04047	0.5
139.07613	0.3
141.01976	0.6
143.03526	2.6
149.04570	0.6
151.11285	0.8
153.09274	0.4
153.12885	0.9
154.13110	0.2
161.04572	3.7
163.11296	4.7
165.12845	3.0
165.68425	0.2
167.03474	0.3
167.10765	0.5
167.14444	0.2
169.12357	4.7
171.10254	1.7
175.71791	0.2
179.05617	4.8
179.10750	0.5
181.12302	1.7
183.13850	0.6
185.11807	0.4
191.10783	1.0
193.12337	0.5
195.13943	0.3
197.11838	50.3
198.12186	2.8
199.06093	0.2
199.13382	2.8
200.13681	0.2
201.11292	0.4
207.10184	0.3
209.11833	100.0
210.12175	5.9
211.13408	7.8
212.13710	0.6
217.07257	0.4
221.06648	1.7
222.07118	0.3
223.13344	0.3
225.11388	1.0
225.14879	0.3
226.11760	0.3
227.12888	15.3
228.13229	1.3
235.08244	4.9
245.06578	0.4
247.20792	0.3
251.12837	0.5
251.16579	0.5
253.09259	1.4
263.07626	0.7
263.20139	2.4
265.18094	1.4
265.20419	0.2
273.18655	0.9
287.07797	1.5
291.19641	16.1
292.20001	1.9
293.21292	1.7
305.08728	1.8
309.20709	84.9
310.21075	7.5
323.09872	1.0
323.76309	0.2
325.20367	0.2
333.20587	0.5
361.11249	0.3
368.07938	0.2
379.12424	3.4
397.13516	39.4
398.13867	3.2
415.14545	15.7
416.14999	1.4
498.72305	0.3
501.32169	0.8
506.14880	0.3
519.33612	0.3
589.25037	0.8
595.26202	0.5
607.26129	2.0
608.26886	0.3
689.34094	2.0
707.35272	2.6
708.35614	0.6
868.24878	0.3
878.94073	0.2
899.45740	0.6
917.46136	1.0
918.46948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.5
68.99802	0.5
69.03450	2.6
69.76053	0.8
69.76463	1.9
71.01385	55.5
71.05013	0.6
72.01717	1.0
72.92706	0.3
72.99326	2.5
73.02952	7.0
78.95918	0.3
80.02701	0.9
80.96526	0.8
81.03464	2.7
83.01389	3.4
83.05045	3.6
84.02185	0.8
85.02964	9.0
86.00043	0.4
87.00890	6.6
89.02455	22.0
90.02757	0.5
93.03476	0.8
95.01404	3.0
95.05043	3.0
96.96017	0.7
97.02964	5.9
97.06594	1.1
98.19926	0.9
99.00889	2.9
99.04527	0.5
99.08080	0.5
101.02459	20.3
107.05061	0.5
108.27446	0.4
109.02968	1.1
109.06606	7.1
110.03837	0.4
111.00902	1.3
111.04531	1.4
111.08173	3.8
113.02465	13.0
119.03529	5.3
121.02967	0.7
121.06599	0.7
121.10249	1.2
123.00893	0.7
123.04565	1.5
124.01727	0.4
125.01608	0.8
125.02469	9.0
125.03310	0.8
125.06097	0.5
125.09756	3.2
127.04028	0.5
127.11317	2.7
131.03532	0.5
135.08189	1.8
137.02472	1.1
137.09717	0.7
139.04031	0.9
139.07666	1.6
139.11279	0.6
141.01929	1.4
142.02632	0.4
143.03532	4.2
145.05135	0.5
149.02521	0.4
149.04581	1.1
149.09732	1.0
151.11292	0.7
153.09232	0.6
153.12807	0.5
155.10800	1.6
161.04572	4.6
161.09756	1.1
163.11316	8.4
165.01904	0.4
165.09236	1.0
165.12845	1.1
167.03549	1.2
167.10782	1.8
169.05165	0.5
169.12418	0.5
171.10286	34.7
172.10658	2.2
177.12930	0.5
179.05620	5.9
179.10793	1.7
179.14436	0.8
181.12341	3.8
183.10329	0.9
183.13905	0.6
185.04620	0.7
185.11887	2.9
189.09209	1.0
191.10782	0.7
195.13925	8.2
196.14436	0.7
197.11859	2.8
199.09789	0.8
199.13376	0.7
201.11336	26.4
202.11659	1.2
203.05568	0.7
205.12379	1.4
205.15967	0.4
207.10280	19.9
208.10590	1.6
209.11844	40.2
210.12198	3.3
211.13350	2.1
213.11263	0.5
215.12932	2.9
217.07166	0.7
221.06638	3.5
223.13380	5.0
225.11333	38.7
226.11703	2.4
227.12857	5.3
228.13297	0.8
235.08211	7.1
235.17076	0.7
243.12317	3.9
245.06703	0.4
247.20663	0.6
253.09171	3.1
256.13144	0.8
263.07700	1.3
273.18588	0.4
275.20160	9.7
276.20459	0.8
277.08969	0.4
287.07703	1.4
289.18109	0.5
291.19644	27.4
292.20013	3.2
293.21222	100.0
294.21545	11.6
294.24918	0.4
305.08807	2.0
307.19131	0.7
309.20709	2.9
310.21106	0.6
311.09363	0.5
317.21210	0.5
323.09705	1.3
328.22226	0.4
335.22299	0.8
379.12457	4.0
397.13535	41.0
398.13879	3.6
415.14587	17.2
416.14761	1.4
439.14615	2.6
447.31055	0.6
457.15549	1.5
477.32236	0.6
490.33685	0.4
551.23798	0.7
569.24426	1.5
605.24353	4.2
606.24786	0.7
623.25800	7.0
624.26190	0.9
641.26660	0.4
673.34900	0.5
691.35345	1.9
692.35278	0.8
700.48352	0.4
733.36542	0.8
881.44995	0.5
899.46741	8.9
900.47064	3.3
917.47675	3.3
918.48358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	0.7
69.03453	2.6
69.76589	1.1
69.77013	1.7
71.01387	41.0
71.05016	1.0
72.01705	0.5
72.99321	3.5
73.02952	8.0
74.95714	0.4
75.00873	0.7
80.02673	0.9
80.96551	0.6
81.03468	4.0
83.01408	4.3
83.05034	5.9
84.02186	0.9
85.02960	9.9
85.06585	0.4
87.00885	9.1
87.04540	0.5
89.02455	26.2
91.04034	0.5
93.03484	0.7
95.01408	3.5
95.05029	3.0
96.05360	0.4
97.02953	6.5
97.06594	1.1
99.00887	2.6
99.04530	1.0
101.02456	25.0
102.02761	0.5
104.85053	0.4
107.05075	0.6
109.02956	1.1
109.06611	5.8
110.03727	1.0
111.00895	1.6
111.04543	1.8
111.08155	4.3
113.02465	14.2
114.02780	0.7
115.04007	0.5
116.92905	0.6
119.03519	7.3
121.02953	0.9
121.10271	0.9
123.00961	0.5
123.04556	0.9
123.08154	0.6
124.01725	0.6
125.02472	10.1
125.03416	0.6
125.06109	0.9
125.09733	3.4
127.04042	0.8
127.07661	0.6
127.11311	3.4
128.03558	0.5
131.03517	1.4
133.05040	0.7
135.08182	1.3
137.02454	0.8
137.06111	0.4
137.09731	0.9
139.04030	1.0
139.07704	1.8
139.11302	1.1
141.01964	1.5
143.03514	6.1
145.05113	0.8
145.10204	0.7
147.08177	0.4
147.11824	0.5
149.02527	0.7
149.04570	0.9
149.09741	1.8
151.03964	0.6
151.11308	0.9
153.09235	1.3
153.12874	0.7
155.10814	3.0
157.12314	0.7
159.02950	0.4
161.04590	6.1
161.09721	1.4
163.11310	10.4
164.11684	0.6
165.09225	1.2
165.12828	2.9
166.13220	0.4
167.03458	1.0
167.10793	1.7
169.05104	0.5
169.12387	0.8
171.10289	43.0
172.10696	2.2
177.12852	1.1
179.05635	8.1
179.10751	1.8
179.14485	0.7
181.12354	4.7
183.10255	1.2
183.13885	0.9
185.04561	0.9
185.11833	3.4
189.09203	2.0
191.10789	0.9
195.13918	7.7
197.11824	3.0
199.06134	0.8
199.09781	0.9
199.13448	0.5
201.11339	35.8
202.11723	2.1
203.05652	1.0
205.12210	0.6
207.10280	19.3
208.10571	1.0
209.11841	71.6
210.12183	5.5
211.13464	2.2
215.12892	3.3
217.07181	1.0
221.06685	4.2
223.13390	5.1
225.11330	50.8
226.11671	3.6
227.12868	7.9
228.13448	1.3
231.20959	0.5
235.08202	8.1
235.17039	1.0
237.54716	0.4
243.12393	4.6
247.20755	0.5
249.11328	0.4
253.09277	3.2
256.13162	1.5
259.08322	0.6
259.48776	0.4
263.07648	1.2
275.20148	7.1
276.20361	0.8
287.07687	2.8
289.18152	0.6
291.19647	36.8
292.20007	4.4
293.21219	100.0
294.21552	10.7
299.14966	0.7
305.08865	3.3
309.20679	1.3
323.09799	1.7
335.22369	0.5
341.36929	0.4
350.88257	0.4
363.32623	0.4
379.12521	5.1
397.13535	52.8
398.13855	5.5
415.14575	19.8
415.20306	0.5
416.14944	1.8
439.14584	2.6
443.19211	1.0
457.15579	1.9
459.31461	0.5
477.32486	1.3
501.33194	0.4
551.23285	1.0
569.24683	2.8
570.25293	0.5
605.24518	5.4
606.25586	0.4
623.25763	10.5
624.25989	1.9
641.26971	1.2
673.34576	1.1
691.36182	1.4
692.35529	0.7
830.40784	0.7
881.46082	0.6
899.46613	9.2
900.46942	3.0
917.47400	2.4
918.47363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	3.7
67.01884	2.3
69.03468	0.6
71.01366	1.8
71.71787	0.8
72.99315	1.7
73.02957	0.9
81.03442	1.7
83.01392	1.9
83.05025	2.1
85.02959	8.6
87.00894	5.3
93.03465	20.0
94.03823	0.7
97.06617	3.3
105.03484	0.7
105.79264	0.7
106.04245	0.6
107.01393	5.5
108.02230	0.7
108.94751	0.6
109.02943	4.5
111.04534	6.6
121.00995	0.6
121.02974	1.4
123.04527	3.0
125.02459	7.2
127.04015	3.2
129.02011	0.7
133.02945	6.0
134.03760	65.9
135.04572	17.6
136.01674	2.4
136.04849	1.0
137.02451	5.3
139.04076	0.7
149.02484	1.5
150.03206	3.7
150.99164	1.3
151.00391	24.3
151.04036	6.9
152.01080	3.8
153.02029	0.8
155.03523	4.1
169.01263	1.0
173.04584	18.2
173.05963	0.7
174.04866	0.9
174.06924	1.5
175.03975	1.6
177.01927	8.0
178.02724	20.7
178.99921	4.8
179.03497	6.8
187.07660	2.8
191.05621	100.0
192.06007	4.5
199.03928	1.5
200.04723	0.7
202.06346	1.9
203.10783	2.1
213.09221	2.0
215.07054	0.8
217.05177	0.8
229.08789	0.8
231.06763	0.7
231.10234	8.9
233.08389	0.9
243.02882	0.8
247.09709	1.2
257.08185	5.0
261.07599	1.2
266.77170	0.6
275.09219	13.4
276.09561	0.6
277.57346	0.6
279.05130	0.6
285.04056	12.3
286.04510	1.9
287.04547	0.7
293.10303	84.0
294.10645	6.5
301.03214	0.9
302.04086	0.7
303.05109	7.2
319.04486	0.8
323.12659	0.9
423.13013	1.6
431.09207	0.7
437.14523	1.4
449.10059	7.5
449.14572	20.5
450.10657	1.9
450.15146	2.3
451.11560	1.1
465.09720	1.7
466.09750	1.4
467.15628	84.4
468.15781	9.8
778.87335	0.7
784.81622	0.7
792.59393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.4
83.01375	0.4
85.02933	0.3
87.00864	0.2
91.01898	0.3
93.03468	0.7
98.20629	0.5
107.01384	1.5
108.02167	0.4
109.02973	3.1
111.04462	0.2
118.06655	0.2
121.02972	0.6
123.04558	1.5
124.01691	0.2
125.02497	0.8
133.02991	0.6
135.00887	0.6
135.04529	0.7
138.24048	0.2
139.04062	0.2
145.02943	0.3
146.03745	0.2
147.04556	0.4
148.01706	0.3
149.02448	0.3
150.03256	0.3
151.00391	4.7
151.04041	0.7
153.01955	0.2
159.04454	0.4
161.02448	0.8
163.00394	1.5
164.01149	0.2
169.01424	0.4
171.04500	0.2
172.05325	0.3
173.04553	0.6
173.05945	0.2
174.03210	0.3
175.03983	0.3
177.01950	2.7
177.09155	0.2
178.99890	2.8
180.00249	0.2
183.04564	0.2
187.04013	0.4
187.07652	0.7
188.04764	0.6
188.08040	0.2
189.00252	0.3
189.01959	5.9
189.09363	0.2
190.02745	1.7
191.03494	1.3
191.05615	2.7
192.05951	0.8
198.03242	0.4
199.03999	0.6
201.01967	0.2
201.05600	0.3
203.03482	0.8
211.03926	0.5
213.09154	0.8
214.09523	0.3
215.03516	0.2
216.00722	0.9
216.04288	0.4
217.01408	5.6
217.08485	0.2
218.01918	0.6
219.02998	2.3
226.02736	2.9
227.03452	1.7
228.04158	0.3
229.04945	0.4
229.64613	0.2
231.03027	1.8
231.10306	0.7
232.03474	0.3
243.02962	9.0
244.03401	1.0
245.04509	0.4
254.02240	3.4
255.02974	7.3
256.03357	1.0
257.08185	1.0
258.08545	0.4
261.04050	1.3
262.04416	0.6
263.04517	0.2
271.02457	40.3
272.02890	5.1
273.03879	0.5
275.09308	0.4
276.09549	0.2
277.10782	1.2
283.02496	0.3
289.07285	0.3
299.01935	0.4
299.05273	0.2
300.02756	58.3
301.03427	20.0
302.03720	2.3
303.03976	0.3
341.06665	12.5
342.06970	1.4
343.04715	0.5
365.85333	0.2
398.27286	0.2
435.09247	0.2
436.09506	0.2
449.14514	0.5
450.14703	0.6
451.10358	16.2
451.15985	2.0
452.10779	2.8
452.16534	0.2
462.08029	0.2
463.08798	100.0
464.09128	13.8
465.09430	1.3
477.10709	0.2
664.84479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	2.3
71.71295	0.2
73.02972	0.3
73.76086	0.2
73.83678	0.2
78.95903	0.6
79.95745	0.3
81.03455	0.5
83.01384	0.3
83.05032	1.0
84.02174	0.2
85.02959	0.6
87.00903	0.4
89.02459	1.2
89.25764	0.2
96.96017	1.7
96.96975	0.4
97.02975	0.3
101.02463	1.5
109.06583	0.6
111.00903	0.2
113.02481	0.9
119.03493	0.4
119.08700	0.3
121.02971	0.2
123.10659	0.2
125.02477	1.1
125.06126	0.2
125.09737	0.3
135.08153	0.2
137.02441	0.3
140.92389	0.2
143.03511	0.2
151.03993	0.2
158.03741	1.0
161.02463	0.6
161.04587	0.6
163.11288	0.8
165.12823	0.6
171.10324	1.2
172.01741	0.5
179.05650	0.2
181.12360	0.3
183.13892	2.2
186.03221	2.4
187.03549	0.2
189.01917	0.3
191.05618	0.6
191.10835	0.2
193.12318	0.3
197.11852	0.5
198.03220	0.5
207.10283	1.0
209.11836	27.4
210.12170	1.8
211.13402	40.3
212.13737	2.7
213.01970	0.3
214.02711	2.5
221.06566	0.2
225.11325	1.4
227.12881	5.6
228.13306	0.3
235.08163	2.0
241.01389	0.2
242.02206	73.4
243.02538	5.4
244.02911	0.2
249.14935	0.3
253.09274	3.2
257.04544	100.0
258.04874	7.9
258.07642	0.3
259.05307	0.2
287.05374	0.2
287.16431	0.2
289.07306	0.3
289.17969	0.5
291.19693	0.3
307.19113	0.9
309.20724	0.8
379.12585	0.2
385.23337	0.2
397.13583	1.5
398.13864	0.3
403.24493	0.2
415.14600	0.5
421.92804	0.2
429.21509	0.3
445.20993	0.8
447.22342	4.6
448.22665	0.5
621.32776	0.5
639.34351	0.8
657.36023	0.2
879.43695	0.3
897.44928	0.6
915.46039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03970	0.5
67.01901	1.4
69.03469	0.5
69.73440	0.8
69.73857	1.8
71.01396	0.5
81.03461	1.7
83.01392	4.1
85.02950	0.9
86.82850	0.4
87.00890	0.6
93.03466	5.8
95.01385	0.9
95.05024	2.0
97.02959	3.8
97.18297	0.3
105.03501	0.4
107.05042	1.5
108.02197	0.8
109.02969	19.8
110.03328	0.5
111.00922	0.4
111.04535	0.6
117.99717	0.4
119.05045	2.9
121.02963	3.8
122.03754	1.3
123.04538	14.7
124.01685	0.5
124.04842	0.5
125.02463	100.0
126.02799	3.7
131.05035	1.2
133.02968	4.6
135.04552	2.9
137.02461	24.2
138.02885	0.8
139.04012	2.7
140.04472	0.5
145.03003	1.6
145.06662	0.4
146.03723	0.9
149.02438	5.2
149.06062	0.4
150.03177	1.1
151.04028	14.0
152.04372	0.7
158.03804	0.5
159.04533	2.6
160.05287	0.8
161.02467	29.7
161.06091	4.9
162.03197	2.8
163.00381	2.4
163.04030	6.9
164.01189	4.8
165.01965	5.5
166.02435	0.5
167.03502	2.0
173.02463	0.5
173.03166	0.4
173.04543	3.8
173.06088	1.2
174.03212	0.6
175.04030	11.1
175.07600	1.1
176.01114	0.6
176.04355	0.7
177.01968	6.8
177.05557	1.3
178.02547	0.8
179.03514	4.9
180.03993	0.4
183.04590	0.5
185.06035	1.2
187.04021	8.3
188.04813	4.8
189.01906	0.4
189.05515	1.7
190.02748	0.5
191.03738	0.8
191.05626	11.1
193.05125	0.8
199.04050	1.0
199.07689	0.5
200.04828	0.4
201.05647	2.2
202.06345	1.5
203.03477	1.7
203.07143	10.1
204.04343	0.5
204.07529	0.5
205.01401	2.7
205.05061	6.8
205.06923	0.3
211.04054	1.4
212.04787	0.9
213.05571	1.8
214.02777	0.8
215.03513	1.7
216.04128	0.5
217.05075	1.8
219.02951	0.6
219.06511	0.7
221.08212	2.1
225.05550	0.9
227.03485	1.2
227.07094	2.3
228.04279	1.5
229.05048	3.9
230.05820	1.6
231.02994	1.4
231.06552	0.5
243.02983	3.8
243.06667	0.9
244.03699	0.7
245.04532	8.0
245.08180	16.0
246.08525	1.2
247.06116	1.7
253.05019	0.9
255.02971	11.4
255.06400	0.7
256.03699	5.5
257.04590	3.1
259.06088	0.6
269.04593	2.3
271.06061	1.6
273.04050	5.2
281.04523	4.8
282.04993	0.5
282.99478	0.4
283.02463	2.2
284.03210	0.9
285.04083	4.1
287.05649	13.6
287.08893	0.8
288.02829	0.6
288.05902	1.3
289.07175	61.1
290.07529	5.7
297.04001	1.4
297.07306	0.8
298.04819	0.6
299.05609	6.6
300.05917	0.7
315.08832	0.5
321.07822	0.6
329.06668	1.0
331.08197	0.5
337.09299	2.1
339.08734	5.6
340.09131	0.8
353.08868	0.5
357.09680	0.6
363.08832	0.8
381.09491	1.8
382.09863	0.4
389.06824	1.2
407.07721	68.9
408.08078	9.2
425.08786	80.1
426.09137	9.8
433.09302	0.5
451.10333	22.4
452.10641	3.0
467.09949	0.8
533.14557	0.7
559.12646	3.0
568.77917	0.4
577.13544	56.2
578.13953	11.0
723.17395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	1.0
65.03987	0.3
68.43416	0.3
69.82536	1.7
75.58480	0.3
79.27828	0.3
83.01392	0.7
85.02948	0.7
91.01902	0.3
92.48157	0.3
93.03473	0.6
95.05042	0.3
97.98801	0.2
98.20652	0.3
101.02408	0.3
107.01399	2.3
108.02200	1.3
109.02969	14.8
119.01337	0.3
119.05014	0.6
121.02970	1.9
123.04536	7.6
124.04861	0.5
125.02493	0.3
133.02986	2.6
135.00887	1.0
135.04515	0.4
137.02449	0.6
139.04042	0.3
145.02963	0.6
147.04559	1.9
148.01639	0.8
149.02446	0.6
150.03227	0.5
151.00395	9.7
151.04027	3.9
152.00742	0.4
155.03496	0.3
159.04539	1.0
161.01241	0.4
161.02477	4.4
161.06026	0.3
162.03099	0.3
162.07359	0.3
163.00426	1.9
163.04022	0.9
164.01082	0.4
169.01414	0.4
174.03362	0.3
175.04077	0.7
176.01089	0.5
177.01941	17.0
178.02289	0.9
178.99876	4.2
185.06091	0.4
187.03954	1.3
187.07646	0.5
188.04700	0.3
189.01945	32.9
190.02678	7.4
191.03499	7.4
191.05595	3.8
192.00560	0.4
192.04088	0.4
192.05823	0.5
193.06073	0.5
199.04073	0.4
201.01924	0.6
201.05557	0.4
203.03531	4.4
211.04008	0.9
213.09265	0.9
214.02817	0.4
214.09477	0.5
215.03471	0.4
215.98763	0.4
216.00662	5.2
216.04233	0.5
217.01419	29.7
218.02025	2.5
219.02997	11.1
226.02672	1.5
227.03511	2.0
227.12912	2.1
228.04199	0.5
228.13191	1.0
229.01521	0.4
229.05029	0.6
231.02995	9.2
231.10231	0.7
232.03606	1.1
233.04581	0.6
241.01498	0.4
243.02968	7.8
244.03418	1.0
245.04512	1.3
254.02246	2.5
255.02965	18.6
256.03476	1.8
257.04510	0.3
257.08157	1.3
258.08585	0.9
269.04309	0.3
269.14044	0.6
271.02463	44.7
272.02896	5.8
273.03870	1.1
275.09232	0.7
276.09567	0.5
281.04544	0.5
283.02377	0.6
287.15012	7.3
288.15317	4.2
289.07224	1.6
289.15549	1.2
297.04361	0.3
297.07797	0.9
299.01871	1.1
299.05402	0.5
300.02756	81.5
301.03455	37.2
302.03769	4.0
303.03848	0.3
323.05716	1.5
341.06665	73.7
342.06982	7.2
343.96970	0.3
371.56857	0.3
449.14536	0.6
449.20294	1.7
450.14581	0.7
450.20706	1.4
451.10333	100.0
452.10626	13.6
452.17023	0.5
461.06976	0.4
462.07507	0.5
463.08795	96.8
464.09152	12.7
465.09445	2.1
493.90137	0.3
584.41632	0.3
754.10242	0.3
767.09167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43382	46.1
69.43813	42.7
71.01390	68.0
75.72591	8.3
88.98805	14.0
89.02438	24.1
97.02966	14.9
100.09364	9.1
101.02470	17.3
102.96481	9.5
109.02947	13.2
113.02443	10.9
116.92916	10.4
122.02386	9.6
123.04565	16.4
125.02464	57.6
133.42813	8.4
135.04482	8.6
137.02499	17.0
151.04050	11.2
161.02434	13.3
175.02505	9.9
179.05678	12.3
191.05640	32.4
201.11272	11.2
207.10287	39.9
209.11855	100.0
210.12369	11.6
215.17044	9.1
225.11385	49.5
227.12886	25.6
289.07056	23.8
341.06635	9.3
343.08395	15.8
397.13571	55.7
417.22729	10.5
822.42328	9.8
833.38641	25.5
914.39368	28.7
915.40350	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	913.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	3.0
71.01387	0.3
73.02931	0.3
73.45078	0.2
83.01394	2.0
85.02935	0.5
87.00874	0.3
95.01423	0.3
98.20695	0.4
107.01412	5.9
108.02226	0.3
109.02973	0.8
111.00900	0.2
113.02468	0.2
119.09945	0.2
121.02966	1.2
123.04534	0.9
124.01669	1.0
125.01611	0.5
125.02464	5.4
128.58035	0.3
133.02928	0.4
135.00858	0.4
135.04529	0.5
143.51768	0.2
145.03093	0.3
148.01678	0.8
149.02448	0.8
150.03255	2.4
151.00391	22.8
151.04028	3.1
152.01167	2.3
153.01927	0.8
161.02534	0.3
163.00406	1.5
163.04024	0.3
164.98415	0.3
169.01434	0.9
173.06116	0.4
175.02530	0.5
175.04007	0.8
176.01176	0.4
177.01947	1.1
178.99867	6.7
183.04439	0.3
185.05983	0.5
187.07707	0.5
191.05627	2.1
193.01395	0.3
199.04004	1.0
201.01857	0.5
201.05498	0.4
203.03526	0.4
211.03874	0.5
215.03522	0.4
216.04291	0.5
217.05054	0.6
226.02798	0.8
227.03455	1.6
228.03796	0.3
229.05025	0.6
230.13782	0.4
241.04987	0.6
243.02960	5.2
245.04483	0.7
254.02228	1.1
255.02977	13.9
256.03339	1.1
257.04437	0.8
257.17609	0.3
271.02469	31.1
272.02914	2.6
273.03857	0.7
275.05554	0.3
275.09097	0.3
283.02460	0.8
285.04047	12.7
286.04321	2.6
287.04660	0.6
289.06900	0.3
297.09619	0.4
298.10330	0.3
299.01978	2.8
300.02753	65.1
301.03482	29.4
301.16528	0.5
302.03970	2.2
303.05084	5.9
319.13388	0.3
323.07788	0.4
447.09515	0.5
449.10843	16.2
450.11172	1.0
461.07144	0.9
462.07748	1.2
463.08780	100.0
464.09125	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	913.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	3.0
71.01389	2.5
71.72309	0.3
72.99325	0.3
75.00877	0.5
78.71290	0.2
83.01394	2.7
85.02960	2.0
87.00890	0.4
91.01908	0.3
93.03455	1.0
95.01395	0.5
99.00893	0.5
103.00399	0.5
107.01407	6.8
109.02969	4.0
110.03350	0.2
113.02473	1.7
113.10330	0.2
119.01413	0.7
121.02979	6.8
122.03333	0.2
125.02464	0.7
131.05101	0.2
133.03024	0.2
135.00912	0.4
137.02437	0.4
139.04024	0.6
140.55490	0.2
143.05087	0.2
146.03842	0.2
147.00966	0.3
147.04453	0.2
148.01714	0.3
149.02455	1.3
151.00394	28.4
152.00710	0.8
155.04974	0.3
157.06535	0.2
159.04539	0.6
161.02484	0.6
163.00386	3.9
163.04077	0.4
164.01082	0.5
165.01994	0.3
167.05054	0.4
169.01465	2.7
171.04523	0.3
173.06119	0.5
175.02502	0.8
175.03957	0.4
178.99881	15.0
180.00232	0.8
181.74965	0.2
183.04536	0.7
185.06122	0.5
187.04018	0.9
189.05693	0.3
190.99878	0.5
191.05652	0.5
192.00639	0.4
193.01448	0.7
193.03133	0.2
199.04007	0.5
200.04900	0.2
201.05702	0.8
203.03558	0.5
205.05133	0.3
206.05170	0.2
211.04019	1.8
212.04413	0.3
213.01979	0.3
214.02713	0.2
217.04999	0.2
227.03546	2.0
227.12979	0.4
228.04111	0.4
229.05008	1.7
231.02917	0.2
239.03490	0.9
240.04115	0.3
243.03000	1.2
243.12469	0.2
245.04539	3.1
246.04962	0.3
254.02182	0.2
255.02994	5.2
256.03564	0.6
257.04535	0.6
261.04047	0.5
266.02164	0.5
271.02505	3.1
272.02988	0.8
273.04007	2.1
283.02466	2.1
284.03113	0.4
289.07465	0.2
294.87012	0.2
299.02029	1.2
300.02731	4.7
301.03543	100.0
302.03882	9.4
303.14597	1.3
329.14044	0.2
411.26349	0.2
477.06754	70.4
478.07086	10.6
609.14777	4.2
610.14850	0.7
744.62604	0.2
775.84467	0.2
941.66833	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.7
70.69037	0.6
81.03463	1.7
83.01391	4.4
93.03464	2.3
95.01405	1.0
95.05055	2.5
97.02967	4.3
98.19857	1.7
103.58920	0.6
107.05054	1.0
108.02196	1.1
109.02966	20.1
110.03313	1.2
117.03462	1.2
119.05025	0.7
121.02975	4.4
122.03739	1.0
123.04543	13.8
125.02465	100.0
126.02808	3.3
133.02974	4.1
135.04539	2.3
137.02463	22.5
138.02896	0.5
139.04036	4.0
145.02995	2.3
146.03760	1.1
147.04608	0.9
149.02467	5.8
151.04034	14.4
159.04559	4.2
160.05312	0.8
160.78540	0.6
161.02461	29.7
161.06084	4.4
162.03113	2.8
163.00391	2.2
163.04045	4.6
164.01173	4.3
165.01938	5.4
167.03581	1.6
173.02492	0.7
173.06088	1.4
174.03259	1.1
175.04008	12.5
175.07617	2.0
176.04320	0.8
177.01939	7.0
177.05585	1.0
178.02597	0.9
179.03517	6.2
179.78618	0.6
185.06056	1.4
187.04016	7.0
188.04695	2.8
189.02023	1.1
189.05521	0.9
191.03621	1.1
191.05656	2.5
194.25392	0.5
199.04030	1.3
201.05611	2.0
202.06274	1.0
203.03532	1.9
203.07147	10.2
204.07561	0.7
205.01454	2.2
205.05078	8.6
211.04015	1.5
212.04790	1.9
213.05586	1.6
214.02733	1.2
215.03543	1.6
217.05095	1.5
219.03008	0.8
221.08177	1.9
223.26408	0.5
225.05634	0.8
227.03581	2.8
227.07103	2.4
228.04254	1.7
229.05121	3.4
230.05748	1.0
231.03040	1.2
231.06651	0.9
241.04929	0.8
243.02969	3.9
243.06660	1.2
244.03719	0.8
245.04575	6.8
245.08185	19.6
246.04865	1.0
246.08582	1.4
247.06152	1.2
253.05045	0.7
255.02969	10.3
256.03720	6.0
257.04602	2.8
259.06335	0.8
267.02548	0.6
269.04541	2.4
271.06134	1.6
273.04047	5.2
281.04547	4.3
282.05145	1.1
283.02441	2.7
284.03171	1.3
285.04102	4.2
285.06979	1.0
286.04474	0.6
287.05618	14.1
288.05856	0.8
289.07172	57.3
290.07571	5.6
297.04007	1.7
297.07639	0.9
298.04871	0.7
299.05594	6.0
301.07022	0.7
321.07742	0.6
322.95047	0.6
329.06787	1.5
331.11923	1.3
339.08856	5.5
340.08994	0.9
341.06525	1.0
381.09811	1.9
389.06992	0.6
407.07727	65.3
408.07993	7.9
425.08792	79.0
426.09152	10.9
451.10336	18.6
452.10693	2.0
537.48108	0.6
559.12408	2.7
577.13562	64.2
578.13849	12.9
643.00995	0.6
869.05939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51604	0.1
64.99985	0.3
65.00324	4.7
68.99834	0.5
69.55537	0.2
69.55946	1.2
71.01391	0.4
72.99322	0.2
73.02926	0.2
81.03468	0.4
83.01401	2.9
85.02966	0.3
93.03472	0.6
95.01395	0.7
97.02953	0.2
97.85482	0.1
101.02478	0.2
102.15614	0.1
103.04059	0.2
107.01405	5.8
107.05058	0.4
108.01755	0.3
109.02964	1.0
110.00102	0.3
110.61593	0.1
111.00896	1.4
113.02457	0.2
117.03469	1.3
119.05051	0.4
120.48760	0.1
121.02982	0.3
123.00911	1.5
123.04547	0.4
124.01690	6.9
125.02473	8.9
126.02850	0.3
130.04234	0.2
130.89883	0.2
131.05051	1.3
133.02954	1.1
134.03757	1.5
135.00920	0.3
135.04547	2.2
136.04860	0.1
136.98804	0.1
137.02391	0.2
139.00391	1.5
141.01984	1.1
143.05032	0.3
145.03008	0.2
145.06592	0.3
147.04536	0.3
149.02480	0.5
149.06084	0.5
151.00397	19.7
151.03983	1.3
152.01176	46.2
153.01588	1.7
155.05074	1.0
157.02989	0.5
157.06540	0.2
158.03752	0.2
159.04504	0.3
161.02463	0.3
164.01137	0.2
165.01981	0.5
169.01450	2.1
169.06607	0.4
171.04567	0.4
172.05342	0.2
173.06107	2.5
174.03261	0.4
175.04033	3.9
175.05499	0.3
176.37741	0.2
177.01945	1.4
177.05481	0.7
178.99878	55.8
180.00288	2.4
181.06633	0.3
183.04631	0.2
184.00157	0.3
187.04042	0.2
189.05539	0.4
191.03552	0.5
191.05623	0.2
192.00653	0.2
193.01520	0.3
193.05087	0.7
196.05309	0.3
197.06111	0.5
198.03281	0.2
198.06830	0.1
199.04022	6.3
200.04433	0.4
200.51210	0.2
201.01924	0.6
201.05614	0.7
203.03525	0.5
211.03979	0.2
213.05528	0.3
215.03496	0.3
215.07161	1.2
217.05063	2.4
219.02898	0.3
224.04813	0.2
225.05565	1.4
229.04971	0.1
231.03079	0.2
233.04611	0.2
241.05092	0.6
242.02335	0.2
243.02983	16.4
243.06531	1.4
244.03282	1.1
255.03000	0.3
255.06593	0.2
257.04550	0.2
259.06100	16.0
260.03214	0.2
260.06412	0.9
261.04028	25.1
262.04449	1.6
269.04538	37.3
270.04871	3.2
271.02576	0.7
271.06122	0.5
285.04047	0.6
285.07233	0.2
286.04822	4.3
287.05597	10.4
288.06012	0.7
289.07248	0.2
299.02087	0.3
300.02737	1.5
301.03577	0.8
303.05112	0.8
307.08026	0.2
327.05188	0.2
339.07297	0.2
357.05890	0.2
375.07312	0.6
405.11523	0.2
417.08264	2.6
418.08786	0.4
433.11423	100.0
434.11737	10.9
435.09500	1.4
447.09415	1.1
463.08612	0.2
477.10403	23.2
478.10709	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	911.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.1
67.01886	0.2
68.99818	0.3
70.29690	0.5
71.01385	5.7
72.99307	0.7
73.02954	0.3
75.00877	1.7
80.54266	0.1
83.01386	1.4
85.02959	8.2
86.03291	0.2
87.00892	1.5
89.02460	0.5
91.01911	0.3
93.03475	1.5
95.01403	2.1
99.00891	2.8
103.00376	1.3
107.01403	3.3
108.02244	0.1
109.02943	0.8
113.02466	12.0
114.02773	0.4
115.00365	0.8
117.01945	0.8
117.03496	0.2
119.01447	0.2
121.02959	0.2
123.00833	0.2
123.04527	0.5
124.01682	0.2
125.02477	1.7
126.02827	0.1
129.01944	0.6
130.04247	0.2
131.05072	0.3
133.02989	0.4
135.00903	0.9
137.02443	0.3
139.00369	0.2
141.07117	0.3
143.05048	1.3
145.02983	0.3
145.06554	0.3
149.02446	0.2
150.03275	0.7
151.00388	7.6
151.03996	1.2
152.01192	1.1
153.01935	0.4
154.04266	0.3
155.05029	0.4
156.05882	0.1
157.01440	0.3
157.06610	1.0
159.04546	1.3
161.02441	0.3
163.00391	1.9
164.01233	0.1
165.01912	0.6
167.05038	0.5
168.05669	0.2
169.01407	0.5
169.06630	0.8
171.04553	1.1
172.05302	0.2
173.02428	0.3
173.06107	0.5
175.02512	5.4
175.03963	0.3
176.01256	0.1
176.02910	0.2
177.01939	0.3
178.99881	1.5
182.03705	0.2
183.04471	0.5
184.05295	0.2
185.06105	2.5
186.03290	0.1
187.04021	3.0
187.07645	0.6
188.04353	0.2
189.05588	1.0
190.99959	0.1
191.05632	5.0
192.00700	0.2
192.05952	0.4
195.04480	0.7
196.05191	0.3
197.06081	0.9
198.03224	0.3
199.04024	1.1
201.05621	0.6
205.05058	0.4
206.05428	0.1
211.04012	1.7
212.04706	0.4
213.05573	2.1
214.02748	0.4
215.03510	0.5
216.04185	0.1
217.05019	0.2
219.03178	0.1
223.03995	0.3
226.02713	0.1
227.03494	2.3
228.04060	0.2
229.05058	10.6
230.05350	0.7
233.04546	0.9
234.04854	0.2
239.03481	1.5
240.04263	0.8
241.01379	0.2
241.05054	1.8
243.02913	0.7
255.02991	1.4
255.09663	0.1
256.03735	0.9
257.04541	6.4
257.08099	0.5
258.04846	0.4
267.03000	1.0
271.02512	0.6
275.05545	0.2
284.03329	0.4
285.04041	100.0
286.04385	8.7
286.07654	0.2
297.09729	0.2
299.02057	0.2
300.02908	0.6
301.03543	0.8
303.05084	1.8
339.08649	0.2
340.08847	0.2
447.09253	1.3
448.09454	0.3
449.10629	3.7
450.11154	0.4
459.12921	0.6
460.13336	0.5
461.07251	47.2
462.07626	6.3
462.14175	0.3
463.08456	0.7
477.06787	0.3
638.65869	0.1
886.78528	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	911.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.3
71.47388	0.2
71.72066	0.4
74.00703	0.6
81.03426	0.4
83.01386	1.2
85.02966	0.5
87.75813	0.3
87.84631	0.3
93.03458	0.9
99.04498	0.4
107.01420	3.3
108.02183	0.8
109.02956	2.2
120.17722	0.2
121.02975	3.1
124.60574	0.3
125.02479	2.0
135.00879	0.3
136.92905	0.3
137.02457	0.4
139.00449	0.4
148.01678	1.1
149.02455	0.7
150.99158	0.7
151.00391	12.8
151.03998	0.4
152.00679	0.4
153.01924	0.3
158.73518	0.3
159.04541	0.5
161.02499	0.6
163.00394	3.5
163.04062	0.3
164.01088	0.6
167.03514	1.5
169.01451	1.2
171.04515	0.5
173.06024	0.3
175.04059	0.7
177.01958	0.3
178.99889	6.5
179.03343	0.3
180.00354	0.3
187.03993	0.4
189.01828	0.3
189.05518	0.5
190.99811	0.4
191.05626	3.2
192.00609	0.4
193.01352	0.4
197.04573	0.4
199.03999	1.2
200.39641	0.3
201.01938	0.3
201.05580	0.7
201.09235	1.2
203.03473	0.3
211.03990	1.3
213.02051	0.4
214.02927	0.3
215.03525	0.6
216.04303	0.5
226.02713	0.8
227.03490	2.6
229.05037	1.1
231.02998	0.4
239.03394	0.3
240.04184	0.4
241.01483	0.5
242.02167	0.6
243.02971	8.4
244.03395	1.3
245.04610	2.0
245.08276	0.4
254.02170	1.3
255.02995	20.8
256.03415	2.1
257.04507	0.4
260.90860	0.3
261.03964	2.7
270.01743	1.0
271.02472	35.7
272.02884	4.5
273.04007	2.0
283.02499	2.4
285.04056	0.5
289.07260	1.4
298.00989	0.5
299.01990	2.8
300.02765	80.3
301.03503	67.5
301.07233	0.6
302.03900	5.7
313.07120	0.4
316.02243	1.8
317.02957	1.4
325.07208	0.7
336.43488	0.4
341.19214	0.4
433.07004	0.6
433.24515	0.9
439.34024	0.3
445.07761	14.7
446.08139	2.4
447.09344	100.0
448.09674	13.4
449.09821	0.3
461.07257	1.0
462.07758	0.8
463.08417	20.7
464.08798	2.4
477.10492	2.4
721.27673	0.3
795.60651	0.3
873.19666	0.3
900.57605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.3
69.03448	0.2
69.41985	0.1
69.42233	1.2
69.42648	0.5
71.01385	3.4
71.05004	0.2
72.99300	0.3
73.02950	0.3
81.03457	0.2
83.01396	0.3
83.05006	0.2
85.02950	1.3
87.00877	0.2
89.02454	2.7
93.03468	0.4
95.01394	0.5
96.03369	0.1
97.06615	0.3
101.02467	1.9
107.01458	0.2
109.02951	0.2
111.08190	1.3
113.02470	2.7
119.03515	0.5
125.02499	0.4
131.03543	0.2
131.05061	0.2
143.03535	0.3
149.09767	0.2
151.00430	0.4
151.04005	0.2
155.05040	0.2
161.04585	1.2
161.12712	0.1
162.03246	0.2
165.02068	0.2
165.12865	21.0
166.13177	1.0
167.14429	0.2
173.04593	0.3
173.06024	0.2
175.03987	0.8
176.69240	0.1
177.01944	0.2
179.05656	0.7
181.12352	0.3
183.13913	59.9
184.14240	3.2
191.03783	0.2
191.05696	0.3
191.10779	0.4
197.15479	1.2
199.03993	1.7
200.04480	0.2
201.01984	0.2
207.13936	1.9
209.11884	2.1
217.05098	0.3
225.14981	1.0
227.12897	100.0
228.13223	6.1
237.14865	0.3
241.14574	0.3
242.02267	0.2
243.02974	5.9
244.03360	0.7
249.15080	0.2
251.12910	3.6
252.13245	0.3
261.04016	5.9
262.04401	0.5
263.04404	0.2
263.12939	0.4
269.13971	1.2
275.09305	0.3
281.13843	0.2
293.13876	0.7
299.01901	0.2
299.15060	0.4
303.05063	0.3
329.16144	1.3
346.75668	0.2
353.16107	0.5
389.18185	25.4
390.18451	2.6
417.08273	0.3
420.55896	0.2
449.14554	0.7
450.20972	0.2
461.07324	0.7
477.10416	1.4
478.10965	0.2
479.10538	0.4
519.11505	1.9
520.11798	0.4
521.11884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02408	0.5
65.00327	1.1
68.99822	0.2
71.72070	0.3
83.01396	1.3
85.02937	0.2
89.02454	0.5
89.77542	0.2
93.03450	0.8
99.04507	0.3
101.02441	0.4
103.05550	0.2
107.01399	1.7
107.05038	0.3
109.02969	1.1
113.02450	0.2
119.03499	0.2
123.04554	0.3
125.02457	1.8
130.04234	0.2
131.05026	1.6
132.02223	0.3
133.03004	0.9
135.00905	0.7
137.02461	0.3
143.05028	0.6
145.03006	0.2
145.06645	0.3
147.04559	0.4
149.02434	0.2
149.06104	0.4
151.00385	3.8
151.04037	1.9
153.01947	0.5
155.05038	1.8
157.02968	1.0
157.06601	0.3
158.03653	0.2
159.04501	0.5
163.00386	1.1
164.01201	0.2
165.01918	0.4
165.12860	0.3
167.05067	0.3
169.01471	0.2
169.06630	0.4
171.04475	1.0
173.06096	1.4
174.03262	0.6
175.04021	6.2
176.04303	0.3
177.01920	1.7
178.99860	0.5
183.04459	0.4
185.02556	0.2
185.06078	1.0
187.04028	1.3
189.05554	0.8
189.12770	0.2
191.03511	1.1
191.05263	0.2
193.05083	1.0
195.04521	0.4
197.06047	0.3
198.03224	0.5
199.04015	9.7
200.04395	0.6
201.02045	0.8
202.53348	0.2
202.99829	0.2
207.13861	1.0
209.11867	1.2
211.04031	1.5
212.04521	0.2
213.05563	0.8
215.03500	0.7
217.05029	3.0
218.05267	0.2
219.02852	0.4
225.15070	0.3
227.03497	30.2
228.03853	2.2
229.05042	4.3
231.02835	0.2
233.04533	0.4
239.03423	0.7
240.04102	0.3
241.04926	0.8
243.02972	35.1
244.03291	2.4
251.12923	0.5
255.02975	42.9
256.03568	6.1
257.04510	2.7
258.04807	0.2
259.02560	0.2
261.04019	52.5
262.04355	3.4
267.02887	0.4
269.13925	9.8
270.14349	0.6
284.03253	50.8
285.04007	51.2
286.04391	3.9
301.03525	0.6
303.04971	0.2
327.05194	0.4
375.06976	0.2
417.08359	1.0
431.09827	100.0
431.19299	5.3
432.10147	11.2
432.19577	0.4
435.09354	2.5
436.09634	0.3
477.10400	24.6
478.10846	3.0
564.07068	0.2
617.59332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.4
65.00321	1.9
68.99812	0.6
69.03465	0.8
69.24452	0.3
70.19794	1.8
71.01391	0.4
81.03446	1.8
83.01390	4.4
83.05027	0.4
89.03982	0.5
93.03479	0.8
95.05018	1.4
95.13288	0.4
96.96041	0.4
97.02993	2.3
99.04512	1.0
107.01408	1.7
107.05078	0.9
109.02968	3.5
117.03553	0.3
120.02175	0.4
121.02995	1.7
121.03777	0.4
122.03729	1.0
123.04523	1.2
124.01731	0.5
125.02468	16.4
126.02839	0.4
131.05066	2.9
133.02988	2.0
134.03705	0.5
135.04543	0.9
137.02464	28.5
138.02806	0.4
139.04028	0.9
143.05040	0.9
145.06612	0.8
146.03746	4.0
147.04500	0.8
149.02469	1.0
149.06114	1.7
150.03203	1.5
151.00401	5.9
151.04024	3.9
155.05038	3.8
157.03017	2.8
159.04544	1.6
160.05281	0.4
161.02428	1.0
161.06165	0.4
163.00368	0.5
164.01183	6.0
165.01949	15.3
166.02266	0.6
167.03519	10.6
171.04518	1.2
172.05289	1.5
173.06090	6.2
174.03252	3.6
174.06824	1.7
175.04034	12.8
175.07643	6.4
176.01282	0.4
176.04752	1.8
177.01949	5.4
179.03528	4.0
179.10808	0.6
185.06165	0.4
186.06859	0.5
187.03983	1.4
187.07622	1.3
188.04843	1.2
189.01981	0.5
189.05553	1.1
189.09267	1.0
190.02744	1.9
191.03485	1.8
191.05597	0.5
193.05017	1.7
198.03203	1.1
199.04022	24.1
200.04512	2.4
201.01910	3.1
201.05624	0.7
201.09193	1.2
202.06285	0.8
203.03696	0.6
203.07156	3.2
204.04308	1.0
204.07742	0.4
205.08736	1.0
211.07669	0.5
215.03455	1.0
215.07039	0.5
216.07928	0.5
217.01634	0.4
217.05124	6.6
217.08670	7.1
218.08907	0.6
219.02919	0.9
223.09821	1.6
225.05408	0.6
226.06378	0.7
227.03513	0.9
227.07153	0.6
229.08723	6.9
230.09135	0.6
231.02911	0.6
232.03775	0.8
233.04501	1.0
239.07159	0.6
239.10803	1.0
240.07982	0.4
241.05177	0.6
241.08669	0.9
242.02206	1.4
243.02980	90.1
244.03334	6.1
244.07295	0.5
247.09763	2.1
251.07076	0.4
254.09471	0.7
255.10252	1.0
257.11847	1.0
259.02463	3.3
260.03131	0.8
261.04025	100.0
262.04364	6.5
265.08527	0.4
267.06888	0.4
268.07376	0.5
273.11411	0.5
279.10187	0.5
281.11829	1.7
283.09711	0.7
285.04022	1.1
289.07123	0.5
294.08926	0.6
297.04083	0.5
297.11411	1.0
299.12939	1.5
301.10919	0.6
303.05112	11.3
303.08453	0.7
304.05646	0.8
323.12900	6.8
324.13062	0.7
325.10809	0.6
341.06680	0.5
341.10272	0.8
341.14041	1.3
349.10904	1.6
367.11871	24.8
368.12271	2.4
375.07214	7.5
376.07587	0.7
385.12872	21.9
386.12991	1.7
393.08450	0.7
417.08273	14.9
418.08582	1.3
435.09412	4.3
436.09637	0.5
451.10092	0.6
459.09265	3.6
477.10388	34.1
478.10654	4.1
519.11420	91.0
520.11731	12.0
609.52765	0.4
660.03876	0.4
904.67377	0.8
905.68475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.7
69.71359	1.7
69.71782	1.4
70.67384	0.4
71.01389	75.6
72.01723	1.5
72.99312	0.6
73.02961	2.1
78.95918	0.7
80.02699	1.8
81.03471	2.2
83.01403	1.2
83.05034	6.8
84.02174	1.0
85.02972	2.4
87.00900	2.5
89.02455	3.4
93.03469	0.6
95.01427	0.8
95.05039	1.8
96.96011	2.4
96.96993	1.1
97.02980	4.2
97.06600	1.1
99.00902	1.6
101.02471	5.1
109.03007	0.7
109.05884	1.0
109.06613	12.0
110.03761	0.6
110.06965	0.5
111.00904	1.0
111.04572	0.5
113.02439	2.9
119.03533	0.6
121.06644	0.7
123.04543	1.1
123.08175	0.7
125.02489	3.8
125.06086	0.7
125.09741	2.2
127.11361	0.9
135.08162	2.7
136.05365	0.8
137.02498	1.1
139.07594	0.7
142.02760	1.4
143.03529	1.0
145.05106	0.9
149.09744	0.5
151.04076	0.6
153.09242	0.6
161.02492	0.7
161.04594	1.9
161.05971	0.4
161.09764	1.1
163.09998	0.9
163.11324	12.2
164.11665	0.8
165.09267	0.5
165.12903	1.9
169.22560	0.5
171.10289	22.7
172.10651	1.2
177.01797	0.5
179.10841	1.2
181.12437	3.3
183.10291	0.5
183.13898	1.4
185.11905	3.0
189.01929	0.5
189.09250	1.5
191.05618	0.8
195.13930	1.0
197.11823	1.8
199.09737	1.0
199.13432	1.1
201.11328	10.6
207.10277	35.6
208.10590	2.2
209.11847	100.0
210.12163	6.1
211.13463	1.2
213.14952	5.5
214.15388	0.5
215.12895	0.4
221.11908	0.5
221.43442	0.5
225.11328	28.6
226.11653	1.8
227.12904	13.1
231.10098	0.5
235.08232	3.4
237.14838	0.5
243.12500	1.3
247.13397	1.0
249.11160	0.6
251.12917	1.2
253.09290	11.2
254.09756	0.9
262.04419	0.5
263.12900	0.7
265.14462	0.6
289.07266	1.4
299.15131	0.4
324.70276	0.5
355.23019	0.6
360.41693	0.5
373.24048	1.0
389.23541	0.8
399.21680	2.7
417.22974	2.6
443.19199	1.3
461.20239	7.5
462.20807	1.0
509.27115	0.5
635.30865	3.3
636.30640	1.1
644.02850	0.5
650.29291	0.5
653.31720	4.6
654.32343	1.7
668.17090	0.5
671.07037	0.5
671.33124	8.0
672.33490	3.4
689.33759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99244	0.5
69.03452	0.5
71.01391	6.2
71.72402	0.5
71.72748	0.5
73.02950	0.9
81.03476	0.9
83.01414	0.6
83.05026	3.2
85.02967	1.5
87.00895	1.8
89.02456	6.9
93.03492	0.8
95.01440	0.5
95.05098	0.7
97.02962	0.5
101.02454	6.0
101.19155	0.6
109.02957	0.8
113.02444	2.7
119.03520	2.1
121.02955	2.3
123.04553	1.2
125.02465	6.4
135.02992	0.5
137.02483	1.5
139.04056	0.7
143.03534	1.2
149.02402	0.6
151.04013	1.7
152.72905	0.5
161.02464	1.4
161.04582	2.1
161.05859	0.5
163.10167	0.5
163.11270	2.7
165.12860	1.4
167.03516	0.9
171.10330	1.0
175.03993	0.4
179.03482	0.6
179.05617	2.5
191.05634	1.7
191.10863	0.7
194.23317	0.5
207.10318	0.5
209.11848	100.0
210.12181	6.2
223.09822	1.6
227.12895	25.9
228.13254	1.8
235.08235	1.6
243.02974	0.7
251.12840	0.6
253.09282	1.0
287.07825	1.2
289.07330	1.9
305.08884	1.8
313.06848	1.0
323.09872	1.7
350.39792	0.5
372.59106	0.5
379.12448	9.1
380.12817	0.5
397.13525	33.9
398.13821	2.7
401.08932	2.4
415.14651	7.1
589.25031	9.2
590.25531	1.2
607.26080	13.3
608.26166	1.6
695.01624	0.5
799.37769	4.2
800.38013	1.7
817.39148	1.3
835.39905	1.8
836.40131	0.9
903.40320	30.4
904.40826	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	901.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	0.8
70.85286	0.4
70.85646	0.3
71.01389	14.1
71.05008	0.4
72.01741	0.3
72.99316	1.0
73.02957	1.9
75.00884	0.2
78.95900	0.2
79.95743	0.2
80.02667	1.1
80.96550	0.3
81.03460	1.5
83.01396	1.9
83.05036	4.9
84.02169	0.9
85.02496	0.3
85.02963	3.3
87.00887	3.2
89.02458	11.3
91.04000	0.2
95.01411	1.1
95.05048	0.9
96.96019	0.6
97.02958	2.3
97.06577	0.2
99.00906	0.8
99.04484	0.2
101.02462	11.2
109.02937	0.4
109.06635	0.3
111.00906	0.3
111.04548	0.5
111.08191	0.6
113.01684	0.3
113.02470	5.7
113.09750	0.2
115.04065	0.2
116.92911	0.4
119.03526	3.0
121.02997	0.3
121.10237	0.5
125.02469	4.6
125.06081	0.6
125.09748	0.3
129.01984	0.2
131.03542	0.6
133.05103	0.2
135.08176	0.6
139.04039	0.3
141.01955	0.4
141.09155	0.2
143.03551	1.8
147.11794	0.3
149.04555	0.4
161.04582	2.7
163.11310	4.2
164.11658	0.3
165.12869	2.2
166.13176	0.2
167.03603	0.3
167.10693	0.2
169.12292	0.2
171.10283	2.1
177.12846	0.2
179.05634	3.6
179.10788	0.2
179.14441	0.6
180.97499	0.2
181.12369	0.9
183.13936	0.3
191.10869	1.0
195.13910	6.9
196.14481	0.7
197.11844	0.4
199.06056	0.4
199.13429	0.3
199.51108	0.2
205.12303	0.6
205.16025	0.2
207.10185	0.3
209.11844	87.5
210.12177	5.7
211.13423	1.9
217.07204	0.5
221.06686	1.5
223.13409	4.9
223.15573	0.3
224.13879	0.3
225.11343	0.3
225.14943	0.5
227.12900	11.9
228.13455	1.1
231.21158	0.5
235.08234	4.1
235.16997	0.3
236.08551	0.2
239.12930	0.2
251.12840	0.3
253.09225	1.2
256.13184	0.7
259.08105	0.2
263.07733	0.4
264.08527	0.2
265.21738	0.5
275.20169	6.4
276.20413	0.7
287.07843	1.3
291.19666	0.4
293.21228	100.0
294.21561	9.5
294.24915	0.3
305.08841	1.8
306.08719	0.2
309.20908	0.8
317.21201	0.4
323.09943	0.7
341.23404	0.6
379.12494	3.2
380.12842	0.3
397.13538	33.8
398.13916	2.9
415.14587	13.6
416.14835	0.9
431.91507	0.2
485.32559	0.5
494.57602	0.2
503.33405	0.3
588.68262	0.2
589.25037	0.6
590.24884	0.2
607.25989	2.2
608.26398	0.4
625.27716	0.4
673.34808	1.0
674.34973	0.3
691.35693	1.8
692.36194	0.5
832.41193	0.3
901.46014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.0
69.94511	0.2
69.94857	1.3
71.01386	15.3
71.05008	0.3
72.99322	1.5
73.02955	1.9
75.00908	0.2
80.02681	1.4
80.96512	0.3
81.03468	1.8
83.01402	1.4
83.05032	5.7
84.00681	0.2
84.02176	1.0
85.02958	3.4
85.95672	0.2
87.00883	3.2
88.01212	0.2
89.02456	11.4
91.04066	0.2
93.03479	0.3
95.01399	1.2
95.05048	1.1
96.96039	0.6
97.02975	2.0
97.06594	0.4
99.00906	0.6
99.04543	0.3
101.02457	9.8
106.67862	0.2
109.02951	0.5
109.06625	0.6
111.00872	0.3
111.04559	0.5
111.08186	0.5
113.02460	6.2
119.03512	3.3
121.02969	0.3
125.02464	5.0
125.06121	0.4
125.09681	0.3
126.02834	0.2
129.02000	0.2
131.03549	0.6
133.05086	0.4
135.08183	0.7
137.02487	0.2
139.04051	0.6
141.01936	0.4
143.03543	1.7
149.04579	0.4
161.04579	2.9
163.11295	4.8
165.12869	2.8
166.13094	0.3
169.04909	0.2
169.12378	0.2
171.10315	0.5
177.12904	0.2
179.05621	3.5
179.14452	0.6
181.12334	0.9
183.12325	0.2
183.13931	0.9
185.04587	0.3
191.10777	1.1
195.13919	5.8
196.14488	0.7
196.88925	0.2
197.11868	0.3
199.06067	0.2
199.13399	0.4
205.12323	0.5
205.16025	0.4
209.11842	97.7
210.12195	5.7
211.13412	1.7
217.07350	0.3
221.06697	1.3
223.13391	4.6
224.13683	0.2
225.14952	0.3
227.12889	12.0
228.13345	1.1
231.21217	0.4
233.11745	0.2
235.08217	4.5
235.17007	0.9
239.12756	0.3
247.13161	0.2
249.22232	0.2
251.12958	0.5
253.09331	1.1
256.13217	0.7
263.07675	0.6
265.21542	0.2
275.20203	4.6
276.20456	0.4
287.07736	1.4
291.19559	0.4
293.21219	100.0
294.21564	8.7
305.08734	1.9
306.09018	0.3
309.20764	1.0
323.09692	0.9
361.11417	0.3
379.12454	3.9
397.13522	41.7
398.13840	3.2
415.14578	14.0
416.14764	1.2
469.33261	0.2
485.32745	0.5
503.34097	0.2
589.24878	0.8
607.26068	3.7
608.26556	0.5
636.26025	0.3
673.34595	0.6
691.35205	1.2
713.31982	0.2
901.47491	0.6
902.47449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.7
69.03465	1.1
69.56196	2.0
70.11279	0.2
71.01389	100.0
71.05021	0.2
72.01743	1.2
72.99327	1.3
73.02956	3.3
78.95895	0.3
79.93961	0.2
79.95751	0.2
80.02691	0.3
80.96519	0.3
81.03465	1.5
83.01389	1.6
83.05053	1.2
85.02963	4.8
87.00892	3.1
89.01907	0.5
89.02458	10.0
91.04008	0.4
93.03483	0.3
95.01426	1.6
95.05032	1.0
96.05424	0.2
97.02969	4.6
97.06612	0.6
99.00903	1.7
99.04559	0.4
101.02462	9.1
107.05045	0.4
109.02998	0.5
109.06607	8.5
110.03758	0.6
110.06927	0.3
111.00882	0.6
111.04558	0.6
113.02470	5.6
116.92869	0.5
119.03511	2.6
121.02975	0.5
121.06618	0.4
123.00871	0.3
123.04556	0.6
123.08151	0.3
125.02467	4.0
125.09745	1.3
126.02766	0.2
127.11304	1.4
131.03517	0.6
133.05084	0.4
135.08221	1.1
136.05322	0.4
137.02426	0.3
137.09676	0.4
139.04030	0.6
139.07695	0.7
141.01976	0.9
142.02771	0.6
143.03516	2.0
144.20827	0.2
149.09732	0.3
150.06793	0.2
151.04001	0.3
153.09230	0.3
155.10765	1.0
157.12393	0.3
161.04596	2.3
161.09763	0.5
163.11308	5.5
165.09250	0.4
167.03432	0.3
167.10742	0.5
171.10292	17.1
172.10666	0.5
179.05635	3.3
179.10762	0.6
181.12392	2.3
183.10280	0.4
185.11855	1.7
187.09631	0.3
189.09268	1.4
197.11803	0.8
199.06215	0.3
199.09795	1.2
199.13382	0.4
201.11340	13.0
202.11678	0.7
203.05518	0.3
207.10286	26.0
208.10648	1.8
209.11842	0.7
213.11316	0.3
215.12900	1.3
217.07083	0.4
221.06699	1.5
224.79976	0.2
225.11331	23.0
226.11678	1.5
235.08218	2.8
236.08760	0.3
243.12360	2.6
245.06596	0.4
253.09344	1.3
259.08084	0.3
259.20615	0.3
263.07654	0.4
277.21735	28.5
278.22049	3.1
287.07724	0.9
291.23206	0.4
293.21143	0.3
299.15189	0.3
305.08838	1.1
323.09845	0.5
341.25061	0.2
379.12491	3.7
380.12790	0.2
397.13544	17.2
398.13824	1.6
415.14590	5.0
416.14810	0.3
439.14413	0.9
457.15607	0.6
551.23566	0.6
569.24329	0.5
605.15570	0.4
605.24615	3.2
606.24689	0.6
623.25775	5.1
624.26208	0.8
641.26849	0.4
657.34607	0.3
663.93561	0.2
865.45447	0.3
883.47229	8.3
884.47693	3.6
901.48010	3.6
902.48096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	3.6
67.01865	0.3
71.01385	0.9
71.71914	0.2
71.72313	0.4
73.02938	0.2
75.00864	0.3
77.11438	0.3
81.03481	0.4
83.01377	1.4
85.02445	0.4
85.02956	6.7
86.03269	0.3
86.52484	0.3
87.00878	1.4
93.03472	2.9
95.01408	0.4
99.04518	0.4
107.01407	4.2
109.02966	1.0
111.04538	1.0
123.00932	0.4
123.04533	1.9
124.01667	0.5
125.02471	4.6
127.04018	1.9
133.02969	0.8
134.03799	0.4
135.04575	0.6
137.02454	0.4
149.02490	0.6
150.03224	2.2
151.00389	19.5
151.04024	2.5
152.01170	2.8
153.01991	0.3
168.95941	0.3
169.01431	0.6
172.05354	0.8
173.04581	2.5
173.05913	0.3
175.03990	1.1
177.01973	1.2
178.99847	3.6
183.04591	0.4
187.04092	0.5
187.07658	8.3
188.08023	0.5
189.05579	0.4
191.05624	100.0
192.05965	4.2
199.03989	1.3
200.04669	0.3
200.73820	0.3
202.06264	0.3
211.04109	0.4
211.07629	0.3
213.05525	0.3
213.09213	1.1
215.07108	1.7
217.04988	0.7
218.05470	0.2
227.03531	1.8
228.04269	1.4
229.04778	0.5
229.08690	0.5
231.06601	0.3
231.10263	1.7
241.04926	0.7
255.02980	1.3
256.03220	0.4
257.08173	16.8
258.08475	1.4
259.06149	0.3
271.02448	0.7
275.09302	2.7
284.03293	1.0
285.04025	11.6
285.13513	0.3
286.04443	1.6
287.04391	0.3
300.02762	1.2
301.03473	1.3
302.03751	1.3
303.05139	6.7
304.05438	0.8
323.07758	0.6
431.13916	1.9
433.07544	0.3
434.08093	0.9
435.08200	0.5
436.08859	0.3
447.09268	2.3
448.09839	1.5
449.10727	12.4
449.15192	6.4
450.11166	1.9
461.07501	0.3
463.08206	0.4
464.08850	0.4
867.22125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44791	0.5
68.99820	0.5
69.03454	2.1
71.01386	26.8
71.05025	1.0
72.81909	0.5
72.99316	2.5
73.02958	3.5
79.95727	0.6
80.02693	1.4
80.96500	0.7
81.03465	2.9
83.01394	3.3
83.05028	7.0
84.02182	1.1
84.63654	0.5
85.02959	5.8
87.00893	5.4
87.13283	0.5
89.02456	19.3
93.03487	0.5
94.98093	1.2
95.01387	2.3
95.05041	2.0
96.96017	0.7
97.02962	6.4
97.06586	1.0
98.20737	0.8
99.00872	2.0
101.02457	15.9
107.05070	0.5
109.02978	1.0
109.06606	10.8
110.03768	0.5
111.00893	0.6
111.04574	0.5
111.08179	6.8
113.02462	9.5
113.09755	0.5
116.92829	0.7
119.03529	4.4
121.06665	0.8
122.97494	0.5
123.04561	2.2
125.02468	7.1
125.06082	0.9
125.09713	1.1
126.90394	1.4
129.36687	0.4
131.03532	0.6
135.08170	2.2
136.05278	0.6
137.02492	1.1
137.09674	0.6
139.04045	0.6
141.01935	1.0
142.02711	0.9
143.03537	3.3
146.37062	0.5
149.04649	0.5
149.09703	0.5
161.04608	3.7
161.09688	1.3
163.11317	10.5
164.11650	0.7
165.12862	2.5
167.10786	1.4
169.12366	0.6
171.10385	2.4
177.12856	2.1
179.05652	5.0
179.10791	2.6
181.12372	2.8
191.10764	1.0
195.13918	8.3
196.14565	0.7
197.11766	0.6
199.13470	0.5
201.11475	0.7
203.14294	0.6
207.10280	33.5
208.10626	2.0
209.11839	100.0
210.12167	6.6
211.13501	1.2
217.07219	0.6
221.06662	2.8
223.13412	2.9
225.11334	17.4
226.11652	1.0
227.12895	16.0
228.13327	1.1
235.08215	5.4
242.81160	0.5
243.12405	0.6
247.20639	1.9
253.09189	1.4
273.18765	1.0
275.20178	2.9
287.07828	1.7
289.07352	0.6
291.19656	93.6
292.19995	9.4
293.21228	36.9
294.21637	4.4
297.79819	0.5
299.15173	0.6
305.08789	2.1
309.20731	0.6
311.09235	2.0
323.09814	1.2
329.20990	0.5
334.21176	0.5
379.12433	5.7
397.13531	50.8
398.13901	3.6
415.14578	15.5
415.18881	0.4
416.14838	0.9
483.30453	0.6
501.32141	0.6
513.44684	0.5
536.37665	0.5
589.24414	0.9
605.24402	2.5
606.25452	0.6
607.26196	2.5
623.25525	2.2
671.32947	4.2
672.32867	0.8
689.34283	7.9
690.34723	0.9
691.35529	1.0
881.46057	2.6
882.46185	1.0
899.46692	21.4
900.47253	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	899.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.6
69.03466	3.8
71.01386	16.1
71.05019	1.5
71.73327	1.1
72.99309	2.4
73.02931	2.2
75.00862	0.8
78.93478	0.6
80.96513	2.2
83.01369	2.1
83.05015	1.0
85.02952	4.1
87.00912	2.7
89.02454	8.2
94.98076	0.6
95.01383	1.1
97.02967	2.8
99.00901	1.5
101.02445	9.6
109.02939	0.8
113.02469	5.0
115.00352	0.9
116.92868	1.0
119.03484	2.1
123.08157	1.2
125.02466	3.4
125.09715	2.2
139.03973	0.5
143.03485	1.2
151.11278	1.8
153.12871	1.0
161.04546	1.6
161.09729	2.0
171.10272	0.7
175.02480	1.7
179.05653	0.8
179.10794	5.0
181.27441	0.6
185.11865	0.6
186.57809	0.7
191.05530	1.2
197.11842	60.6
198.12228	3.9
205.08626	0.9
207.10258	1.1
209.11740	1.2
211.13431	0.7
221.06598	2.7
223.09702	1.8
225.00659	0.9
235.08185	1.5
241.10841	4.6
253.09331	1.0
277.18790	1.3
277.21722	22.7
278.22058	2.9
278.29849	0.6
285.75388	0.6
397.13632	3.9
415.14539	1.1
615.36682	0.6
621.24341	0.9
639.24982	1.1
881.45728	1.6
899.46704	100.0
900.47046	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	2.2
67.01877	0.4
69.73160	1.3
69.73591	1.8
83.01372	1.3
85.02934	0.7
87.00865	0.4
88.17272	0.4
91.01907	0.5
93.03468	2.8
93.99575	0.4
95.05028	0.5
101.16905	0.4
105.03467	0.5
107.01394	4.2
108.02180	1.2
109.02969	15.3
110.03311	0.8
110.05905	0.4
111.04520	0.5
117.03464	0.5
119.05092	0.9
121.02992	2.6
123.04552	9.0
124.01617	0.6
125.02458	2.8
133.02971	3.3
134.03773	1.0
135.00873	0.7
135.04547	0.9
137.02455	0.6
145.02956	1.2
147.04520	1.7
148.01660	0.7
149.02422	1.3
150.03267	2.1
151.00388	15.5
151.04036	4.4
152.00728	1.9
153.00844	0.4
159.04486	0.9
161.02463	5.3
162.03233	0.8
163.00380	2.3
163.03989	1.1
164.00854	0.5
169.01430	1.0
172.05316	0.5
173.04536	0.7
175.04048	0.9
176.01213	0.5
177.01955	18.4
178.02361	1.1
178.99870	5.1
180.00232	0.9
185.02606	0.4
187.04024	1.5
188.04697	0.6
189.01952	32.4
190.02692	8.5
190.99829	0.5
191.03494	6.5
191.05609	7.4
192.03850	1.1
192.05852	1.1
199.03961	0.7
200.04541	0.6
201.01993	0.5
201.05623	0.5
203.03534	4.0
205.05075	0.5
211.04033	1.0
216.00642	5.5
217.01419	26.8
218.01913	2.6
219.03004	10.2
220.03372	0.5
226.02698	0.5
227.03471	1.5
228.03952	0.5
229.05289	0.4
229.08694	0.5
231.02986	8.6
231.10213	1.5
232.03622	1.4
233.04454	0.8
243.02956	3.9
244.03304	1.6
245.04408	1.1
246.04906	0.7
254.02164	0.8
255.00450	0.8
255.02979	12.0
256.03333	3.1
257.03729	1.2
257.08044	1.8
258.01648	1.5
258.08545	0.8
261.04004	0.6
271.02487	21.8
272.02847	7.0
273.03043	2.3
275.09201	3.0
276.09573	0.7
281.04547	1.0
283.02414	1.0
285.04034	4.0
286.04346	0.9
289.07190	1.4
297.07599	0.9
299.02295	0.4
299.05554	1.9
300.02762	42.5
301.03403	40.9
302.03687	15.3
303.04053	5.6
304.04187	1.1
323.05640	1.5
324.06036	0.5
341.06674	69.4
342.07050	6.6
421.07690	2.0
445.08084	0.5
447.09332	52.0
448.09665	25.1
449.09857	22.7
450.09943	4.9
450.14529	0.7
451.10336	100.0
452.10687	15.2
477.10324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98525	27.6
67.73605	7.3
70.70702	14.1
70.71052	7.9
71.01380	20.6
83.05029	7.1
85.03006	6.6
88.98239	6.5
89.02435	6.5
99.00888	5.7
101.02458	15.3
125.02469	22.4
133.76694	6.2
134.38368	5.7
137.02473	7.5
149.55933	6.1
151.03986	7.3
163.07813	5.9
165.05638	7.5
191.05624	35.0
209.10078	9.9
209.11852	100.0
210.12212	39.7
210.13873	6.3
211.12254	11.8
227.12875	17.8
289.07031	7.6
289.21628	22.5
290.22186	14.8
397.13528	28.1
398.13831	12.5
399.13907	10.3
434.51761	6.3
867.39172	9.3
899.39893	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	899.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	1.7
65.00322	3.7
71.01384	2.5
71.71243	0.3
75.00887	0.4
79.64439	0.2
83.01394	2.0
85.02956	1.6
87.00885	0.4
91.01904	0.3
93.03474	0.8
93.49964	0.2
95.01405	0.6
99.00903	0.6
103.00403	0.5
106.79253	0.2
107.01409	6.5
109.02959	2.9
111.00897	0.3
113.02441	1.6
117.01985	0.2
119.01395	0.4
121.02126	0.4
121.02970	6.3
123.00910	0.3
125.02426	0.4
135.00945	0.4
139.04021	0.6
147.76468	0.2
148.01747	0.4
149.02455	1.4
151.00394	28.5
152.00781	0.9
157.06622	0.3
159.04570	0.7
161.02505	0.4
161.06157	0.3
162.99077	0.1
163.00395	3.9
163.04036	0.3
164.01051	0.5
165.01939	0.3
165.09244	0.2
167.05052	0.3
169.01447	1.9
173.06050	0.2
175.02493	0.7
175.03900	0.5
178.99878	13.3
180.00206	0.6
183.04529	0.7
185.06041	0.5
187.03999	1.0
192.00676	0.4
193.01424	0.7
195.04657	0.3
199.04057	0.4
201.05571	1.0
203.03487	0.3
211.04024	2.0
213.86784	0.2
215.03482	0.5
227.03445	1.3
228.04102	0.3
229.05060	2.0
230.02087	0.2
239.03513	0.7
240.04210	0.4
243.03011	0.7
244.68123	0.2
245.04547	3.1
255.02969	4.8
256.03561	0.4
257.04453	0.7
258.01666	0.9
259.02502	0.5
266.02151	0.4
271.02515	2.5
272.03183	0.7
273.04019	6.0
274.04352	0.4
283.02515	2.3
285.04001	0.8
299.02121	0.4
300.02762	0.9
301.03543	100.0
302.03860	8.4
313.03488	0.3
331.04556	1.4
332.05063	0.3
421.07791	3.2
422.08167	0.4
477.06750	77.8
478.07086	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	899.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.3
65.00321	0.6
71.71353	0.2
83.01392	0.5
85.02945	0.2
93.03445	0.2
107.01405	1.5
108.02187	0.5
109.02958	0.7
121.02998	1.1
125.02468	0.4
133.02972	0.2
135.00891	0.4
148.01665	0.9
149.02458	0.3
151.00392	6.4
151.03981	0.2
152.00687	0.3
153.01926	0.2
163.00389	1.5
163.03963	0.2
164.01169	0.3
168.97298	0.2
169.01451	0.5
175.04027	0.2
175.16692	0.2
178.99886	3.1
183.04430	0.2
187.04007	0.4
191.05617	1.0
192.00586	0.3
193.01443	0.2
199.03963	0.5
201.05548	0.2
211.04015	0.6
212.04829	0.2
215.03563	0.2
216.04259	0.2
219.98654	0.2
226.02698	1.1
227.03477	1.4
228.04102	0.2
229.05125	0.4
239.03564	0.2
239.12785	0.3
243.02983	6.0
244.03531	0.5
245.04483	0.7
254.02188	1.4
255.02979	14.5
256.03323	1.3
257.04749	0.2
259.02411	0.2
261.04019	1.0
271.02454	33.0
272.02878	3.1
273.04025	0.7
283.02429	0.6
283.11908	0.2
292.85803	0.1
299.01959	0.9
300.02750	71.7
301.03455	29.6
302.03873	1.8
343.04419	0.3
349.20328	0.2
371.03180	0.2
435.09113	0.3
461.07068	0.3
462.07706	0.2
463.08789	100.0
464.09149	12.3
465.09286	0.4
592.54553	0.2
687.22455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	2.8
69.03467	0.7
71.01389	2.4
72.99313	21.8
73.99644	0.3
75.00878	21.6
76.01217	0.3
81.03505	0.2
83.01392	1.5
83.05029	2.5
85.02966	0.8
87.00897	0.9
87.04520	2.0
89.02463	0.9
89.32479	0.2
95.01399	0.4
97.02958	0.3
98.19855	0.6
99.00918	0.5
101.02467	0.9
103.00382	0.8
107.01406	3.9
107.05038	1.5
107.08699	0.5
109.02943	0.2
109.06587	0.3
111.04548	0.3
113.02465	0.7
117.01926	0.3
119.03516	0.4
120.05847	0.3
123.04512	1.1
124.01685	0.7
125.02458	4.3
133.02982	0.5
133.06630	0.7
135.04527	0.8
149.02452	0.5
149.06102	0.5
150.03258	2.1
151.00392	16.7
151.04008	3.5
152.01219	2.9
153.01939	0.4
157.05070	0.4
161.09737	1.9
163.07585	0.5
163.11290	1.3
169.01433	0.5
175.03992	0.6
175.11293	1.1
176.01192	0.3
177.01926	0.6
177.09207	0.5
177.12827	0.6
178.99881	3.1
185.09702	0.3
185.30042	0.2
189.05545	0.3
189.09242	1.0
191.05568	1.3
193.12465	0.6
193.96201	0.2
199.04063	0.6
203.10806	0.6
207.10260	2.3
217.05142	0.4
221.11812	1.7
231.45259	0.2
237.11360	0.5
239.12885	38.2
240.13232	2.7
241.04985	0.4
257.04437	0.4
259.06268	0.3
265.10791	6.3
266.11270	0.4
271.97635	0.3
283.11865	100.0
284.12195	8.1
285.04044	10.0
286.04382	0.8
297.09921	0.5
302.04294	0.4
303.05121	5.4
304.05508	0.5
323.07840	0.3
325.12921	1.3
385.14993	0.9
445.17142	28.8
446.11697	0.4
446.17523	4.0
449.10880	13.4
450.11279	1.7
629.95587	0.3
639.10413	0.3
641.43201	0.3
739.74121	0.2
833.60266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01917	0.6
69.03463	4.2
71.01386	49.9
71.05043	0.8
71.41794	0.6
72.01741	0.6
72.99316	2.7
73.02956	7.5
75.00889	0.8
78.95906	0.7
80.02684	1.9
81.03461	3.7
83.01398	6.6
83.05024	5.6
83.05461	0.6
84.02168	2.4
85.02959	10.1
87.00879	8.9
87.01362	0.8
88.98832	1.8
89.02457	25.7
93.03478	1.9
95.01398	3.8
95.05059	2.8
95.05605	0.5
97.02964	9.7
97.06631	1.2
99.00909	3.0
99.04517	1.0
101.02457	27.2
107.05049	0.6
109.02969	1.9
109.06611	6.1
110.03788	1.5
111.00914	1.1
111.04529	2.5
111.08215	1.0
113.02464	12.9
115.04021	0.7
119.03527	6.7
121.03033	0.9
121.06640	0.6
123.04543	1.9
123.08208	1.1
124.01669	0.9
124.48264	0.5
125.02470	13.3
125.06120	0.9
125.09755	5.7
127.04083	0.9
127.11304	2.6
131.03523	1.4
135.08185	3.4
136.05334	0.9
137.02448	2.4
137.09734	1.0
139.04070	1.1
139.07661	1.6
141.01979	1.9
142.02727	2.4
143.03528	5.5
145.10258	0.5
147.11800	0.7
149.04648	0.9
149.05975	0.5
149.08603	0.6
149.09761	1.6
151.04088	1.3
151.11220	1.0
153.09195	0.8
155.10760	1.5
157.12430	0.6
161.02563	1.1
161.04568	5.4
161.09703	2.2
163.11313	15.1
165.09148	1.1
165.12810	3.3
167.03477	1.5
167.10846	0.7
169.12387	1.2
171.10286	36.8
172.10657	1.5
177.01915	1.0
179.03595	0.7
179.03964	0.9
179.05623	9.1
179.10777	4.2
181.12375	2.8
183.10277	0.6
183.13959	2.8
185.04532	1.2
185.11859	2.1
188.15460	0.5
189.09245	1.8
191.05615	4.9
191.10779	3.7
195.13918	1.5
197.11838	15.7
198.12190	0.9
199.09848	0.7
199.13402	0.5
201.11337	26.9
202.11693	1.7
203.05646	0.6
207.10278	42.3
208.10550	2.9
209.11844	85.6
210.12172	6.0
211.13467	2.6
215.12904	2.1
217.07242	1.1
221.06721	3.7
221.11801	0.7
223.13322	0.7
225.11330	39.9
226.11784	3.1
227.12885	13.2
228.13112	1.0
235.08211	8.1
239.12891	30.6
240.13174	2.5
241.14520	1.4
243.03003	0.7
243.12433	3.4
243.15981	0.8
253.09248	2.9
255.02773	0.6
259.08197	0.6
263.07782	1.0
271.15543	5.8
273.17068	100.0
274.17410	8.1
277.09012	0.5
287.07800	1.4
289.07138	1.4
297.17322	0.6
305.08746	2.3
323.09802	1.4
379.12460	7.2
397.13544	51.7
398.13971	4.2
407.07437	0.6
415.14600	17.4
416.14841	1.9
427.27393	0.6
439.14694	2.6
457.15576	0.8
551.23334	1.2
569.24377	1.1
577.25049	1.4
595.25922	1.9
605.24542	2.8
607.26776	0.6
623.25714	4.9
624.26099	0.6
641.26575	0.8
653.30768	1.1
671.32050	2.4
692.86792	0.6
713.32159	0.6
879.42407	7.0
880.42505	2.9
897.43933	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	895.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.3
63.29999	0.2
69.03452	1.3
71.01386	5.6
71.71554	0.4
71.71932	0.4
72.99312	15.6
75.00881	21.7
76.01227	0.3
83.01394	0.7
83.05036	4.9
85.02959	3.2
87.00888	0.9
87.04519	1.5
89.02454	3.8
93.03453	0.5
95.01369	1.1
95.05059	0.4
99.00890	1.2
101.02462	2.0
103.00378	1.6
107.01399	1.0
107.05048	3.4
107.08677	0.6
108.02203	0.5
109.02931	0.5
109.06596	0.9
113.02459	4.5
115.00330	0.3
117.01964	0.7
119.03524	0.6
120.05814	0.8
121.02981	0.3
121.06605	0.3
125.02464	0.4
125.06094	0.3
133.06622	2.2
133.78868	0.3
135.00842	0.4
135.04501	0.6
148.01735	0.5
149.06120	1.1
149.09807	0.3
151.00381	3.3
151.04033	0.5
152.04822	0.4
157.05096	0.9
159.04514	0.5
159.08153	0.6
161.02483	0.4
161.09723	4.2
162.10115	0.3
163.00383	0.8
163.07689	0.4
163.11295	1.4
169.06587	0.3
171.04440	0.3
175.02502	1.3
175.11253	1.7
177.09253	0.4
177.12877	0.9
178.99878	1.1
183.04639	0.4
185.06059	0.8
185.09691	1.0
187.04041	1.1
189.09218	2.6
191.05603	1.9
192.00639	0.4
193.12323	0.7
199.03928	0.4
203.10760	1.0
207.10266	1.3
211.03998	0.7
213.05647	0.6
215.03494	0.6
221.11841	3.0
223.09802	0.4
226.02724	0.7
227.03526	2.0
228.46149	0.3
229.04993	3.2
237.11395	0.5
239.03560	0.4
239.12894	29.7
240.04384	0.5
240.13257	1.8
243.03024	2.6
244.03470	0.3
254.02197	0.6
255.02980	7.2
256.03342	0.9
257.04697	1.6
257.07578	0.3
265.10806	11.0
266.11118	0.6
267.02966	0.4
271.02484	15.0
272.02899	1.2
283.11871	33.1
284.03262	0.5
284.12177	2.7
285.04047	23.5
285.13327	0.5
286.04413	2.1
300.02765	33.6
301.03427	10.2
302.03842	0.6
313.07166	0.5
325.12909	0.9
336.84525	0.3
385.15079	0.9
433.07761	38.2
434.08093	5.1
445.17172	100.0
446.17493	13.5
447.09283	4.2
448.09528	0.5
461.07257	12.1
462.07611	1.9
532.00006	0.3
858.30737	0.3
896.93799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02400	0.5
65.00321	1.1
67.01855	0.0
68.99824	0.0
72.45424	0.0
79.01853	0.0
81.03450	0.0
83.01393	0.8
85.02979	0.0
85.67751	0.0
88.57227	0.0
90.65987	0.1
90.82722	0.0
91.01893	0.3
93.03467	0.4
95.01374	0.1
98.20683	0.1
107.01405	2.9
108.01524	0.1
108.02193	1.0
108.99364	0.0
109.02967	1.8
110.03290	0.1
111.00910	0.1
119.01381	0.2
120.02235	0.1
121.02971	2.7
122.03323	0.1
123.00906	0.1
124.01665	0.2
125.02455	0.3
133.03003	0.1
135.00890	0.7
136.01707	0.1
137.02467	0.1
139.04089	0.2
143.05080	0.1
145.02982	0.1
145.06602	0.0
146.03761	0.0
147.00871	0.1
147.04538	0.1
148.01685	1.0
148.02803	0.1
149.02466	0.5
151.00392	12.3
152.00693	0.5
153.01984	0.2
155.05037	0.1
157.06616	0.1
158.03732	0.1
159.04517	0.3
161.02516	0.2
161.06073	0.1
163.00391	3.2
163.04025	0.2
164.01184	0.6
165.02048	0.2
167.05020	0.2
169.01486	0.6
171.04434	0.2
172.05162	0.1
173.06123	0.1
174.03305	0.2
175.04063	0.2
178.99879	6.4
180.00293	0.2
182.03717	0.0
183.04575	0.4
185.02466	0.1
185.06145	0.2
187.03981	0.5
188.04552	0.0
189.01913	0.1
189.05539	0.1
190.99913	0.4
191.03571	0.1
191.05536	0.2
192.00690	0.4
193.01425	0.2
195.04568	0.1
196.00302	0.0
198.03189	0.1
199.03963	0.4
200.04703	0.1
201.02087	0.2
201.05579	0.6
202.02702	0.1
202.05763	0.0
203.03583	0.3
204.04106	0.1
205.05028	0.1
210.03149	0.1
211.03992	1.2
212.04698	0.1
213.01820	0.2
213.05435	0.1
214.02661	0.1
215.03528	0.5
216.04317	0.3
217.01357	0.1
217.04985	0.1
226.02731	0.8
227.03516	2.2
228.04156	0.3
229.01364	0.1
229.05035	0.9
229.49605	0.1
230.02162	0.1
230.05312	0.1
231.03134	0.1
239.03421	0.5
240.04263	0.2
241.01639	0.0
242.01913	0.1
243.02983	5.3
244.03525	0.5
245.04532	1.9
246.04901	0.1
254.02206	1.3
255.02974	17.5
256.03424	1.3
257.04654	0.2
265.01526	0.1
266.02054	0.2
271.02466	32.1
272.02911	2.8
273.03986	1.3
274.04614	0.1
283.02463	1.6
284.03293	0.3
285.03970	0.1
297.03751	0.1
299.02032	0.7
300.02756	66.0
301.03482	50.2
302.03864	2.9
302.07413	0.1
313.03494	0.1
325.03351	0.1
343.04410	0.1
445.08228	0.1
446.08453	0.1
447.09305	100.0
448.09628	9.3
876.44995	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	895.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.5
65.00326	0.5
68.10497	0.2
69.03463	0.2
71.01035	0.4
71.01389	4.1
72.99321	2.2
73.02937	0.2
83.01392	0.7
83.05016	0.6
85.02965	4.7
87.00875	0.9
87.04537	0.2
89.02436	0.6
91.01897	0.5
93.03473	1.0
95.01390	1.5
99.00880	1.2
101.25079	0.2
103.00372	0.9
107.01417	2.4
107.04968	0.4
108.02187	0.9
109.02982	1.1
111.00860	0.2
113.02457	6.9
113.03242	0.4
115.00367	0.7
117.01944	0.6
121.02962	0.9
125.02455	0.6
129.01945	0.5
135.00890	1.1
143.05057	0.7
145.06595	0.2
148.01709	0.6
151.00381	6.2
154.04321	0.2
155.05092	0.3
157.06572	0.7
158.03708	0.3
159.04510	0.8
161.09744	0.7
163.00385	2.1
163.03979	0.2
164.01115	0.4
165.01929	0.4
167.05029	0.4
169.01408	0.4
169.06671	0.4
171.04567	0.4
174.03259	0.3
175.02515	3.2
178.99896	1.8
182.03644	0.3
183.04520	0.4
185.06065	1.6
187.03990	2.6
187.07690	0.2
189.05534	0.7
191.05615	0.8
192.00624	0.4
195.04602	0.5
197.06055	0.5
198.03012	0.3
199.03998	0.9
201.05577	0.3
211.03902	1.3
213.05522	1.6
214.02710	0.3
215.03525	0.6
216.04237	0.3
221.11826	0.3
223.04066	0.5
226.02739	0.8
227.03510	5.3
228.04089	0.5
229.05043	6.2
229.60127	0.3
230.05371	0.7
239.03564	1.3
239.12883	3.8
240.04251	0.7
241.01476	0.3
241.05048	0.8
243.02983	5.9
244.03433	0.6
245.04527	0.6
254.02180	1.7
255.02974	20.0
256.03482	2.3
257.04581	3.7
265.10818	1.0
266.11176	0.2
267.02832	0.6
270.01648	0.5
271.02466	34.1
272.02899	3.7
273.03772	0.3
283.02396	0.5
283.11859	3.9
284.03265	4.2
285.04044	58.2
286.04401	4.9
299.01935	0.8
300.02756	81.5
301.03400	19.6
302.03906	1.4
313.07196	0.7
433.07748	100.0
434.08072	12.0
445.17160	11.7
446.17511	0.9
447.09323	8.2
448.09570	0.9
461.07239	28.8
462.07626	3.2
511.96277	0.2
807.35400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00316	0.5
69.72350	0.2
69.75089	1.4
69.75419	0.2
71.01362	0.7
72.99310	1.5
77.03968	2.6
79.01899	1.4
83.01385	0.4
89.02463	0.2
93.03434	0.5
95.05024	0.2
101.02440	0.2
101.03981	0.4
104.71067	0.2
105.03487	1.4
107.01392	0.6
107.05032	0.3
109.02960	0.2
117.03449	0.4
119.05038	1.9
120.99664	0.6
121.02972	2.9
121.06591	0.5
125.02435	0.6
133.02910	0.2
135.00893	0.3
143.05057	2.9
143.06085	0.4
144.05400	0.2
145.02972	3.0
149.02461	4.0
150.32907	0.2
150.63058	0.2
151.00418	1.0
151.04013	0.3
152.01202	0.5
154.49962	0.2
155.04980	0.2
157.03001	0.2
157.06557	0.7
161.02394	0.6
161.09792	0.2
162.03180	0.3
164.01247	0.2
165.01979	0.5
167.03397	0.2
167.08582	0.3
168.61932	0.2
169.06546	0.2
173.06218	0.2
173.09706	0.7
175.00284	0.3
175.04012	0.6
177.01926	0.3
178.99849	0.9
179.03522	0.5
180.05890	0.2
181.06601	0.9
186.67555	0.2
187.03993	0.6
191.03572	0.3
191.05521	0.4
191.10760	0.4
193.04965	0.2
193.06563	0.3
195.08185	1.2
197.06081	0.3
199.03986	0.9
199.07648	0.8
208.05261	0.2
209.11826	3.3
211.07655	0.2
221.06056	0.3
223.05577	0.3
223.07663	3.0
224.04761	0.3
225.05530	0.6
227.07130	0.8
235.09729	0.7
237.05441	0.3
239.07326	0.3
243.02945	1.8
244.03427	0.2
248.92050	0.2
251.07133	0.3
252.04346	0.2
253.05106	1.4
253.10799	3.0
261.04016	2.9
262.04239	0.3
265.05060	0.5
266.05664	0.2
267.06607	49.1
268.06946	4.3
269.04510	0.3
270.01553	0.2
271.02399	0.4
277.05063	2.2
279.06732	0.4
283.11703	0.2
293.04492	0.6
295.06113	73.1
296.06479	6.4
298.01425	0.2
298.04810	0.5
299.01886	0.3
300.02762	0.2
301.03470	0.6
307.06161	2.0
325.07162	2.4
337.07022	0.3
375.06625	0.2
392.10464	0.2
415.10373	100.0
415.15631	4.6
416.10687	11.0
416.15540	0.3
417.08429	0.3
433.11346	1.0
445.07736	1.3
446.18442	0.2
447.09015	0.2
477.10532	2.9
609.14343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.0
71.01388	13.8
71.72260	1.1
72.99317	1.4
73.02944	2.4
80.02672	1.3
81.03452	1.9
83.01387	1.6
83.05032	6.0
83.69137	0.5
84.02168	1.2
85.02945	3.0
87.00910	4.2
87.53935	0.6
88.98811	6.2
89.02446	13.4
93.03455	1.2
95.01403	1.1
95.05025	1.3
97.02951	2.6
101.02458	10.7
109.02969	1.3
109.06583	1.1
111.00905	0.8
111.04528	0.9
113.02446	5.7
115.53860	0.6
116.92869	2.5
119.03511	3.0
123.04537	0.9
125.02460	6.7
125.06118	0.8
125.09689	0.8
127.11324	0.8
137.02484	1.1
141.02045	0.7
143.03502	2.0
151.04034	1.6
161.02397	0.7
161.04597	3.2
163.11258	4.5
165.12857	2.2
167.03415	0.8
167.10815	1.5
171.10286	0.9
179.05568	3.4
179.10684	0.8
179.14384	1.7
191.10838	1.3
195.13927	5.5
197.11931	1.2
201.11343	6.1
205.12297	4.8
209.11839	100.0
210.12180	6.8
210.17699	0.6
211.13495	0.9
217.07080	0.8
221.06618	2.2
223.13391	57.1
224.13759	4.1
227.12888	14.0
228.13115	1.0
235.08191	3.5
248.10274	0.7
272.03256	0.9
273.04123	4.1
274.04285	0.8
274.38574	0.8
282.77139	0.7
287.07745	1.6
289.07309	0.8
305.08762	2.0
309.20618	2.0
323.09802	1.6
343.08191	4.8
379.12384	6.7
387.35751	0.7
393.41122	0.7
397.13519	33.2
398.13788	3.3
415.14624	8.8
589.25073	1.9
603.26520	5.3
604.26862	0.8
607.26013	5.6
608.26709	1.3
621.27625	6.7
622.28308	1.3
795.38123	1.0
813.39252	3.3
814.39655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.2
68.99821	0.2
69.03464	0.8
71.01386	14.1
72.01707	0.3
72.99316	1.2
73.02951	2.3
75.00876	0.3
78.08883	0.1
80.02685	1.1
81.03468	2.1
83.01402	1.6
83.05032	5.4
84.02155	0.9
84.05345	0.2
85.02959	3.1
86.00101	0.1
87.00889	3.7
87.04550	0.2
89.02455	10.8
91.04000	0.3
93.03465	0.4
95.01394	1.1
95.05045	0.8
97.02966	2.2
97.06604	0.2
98.19857	0.4
99.00904	0.7
99.04551	0.2
101.02455	10.3
102.02792	0.2
103.04062	0.1
104.49699	0.1
109.02979	0.3
109.06610	0.3
111.00910	0.2
111.04533	0.3
111.08139	0.2
113.02462	5.6
115.04015	0.2
119.03523	3.0
123.04473	0.1
125.02464	5.2
125.06091	0.6
126.02832	0.2
127.04070	0.2
131.03514	0.5
133.05083	0.5
135.08209	0.7
137.02486	0.2
139.04010	0.4
141.01924	0.2
143.03522	1.9
147.11836	0.3
149.04568	0.4
149.25414	0.1
161.04575	2.6
163.11308	4.3
164.11595	0.2
165.12849	2.6
166.13205	0.1
167.03528	0.4
169.05121	0.2
179.05615	3.7
180.05974	0.1
181.05109	0.2
181.12393	0.5
185.04611	0.2
191.10751	0.9
199.06122	0.4
199.13365	0.2
203.05600	0.3
207.10242	0.2
207.12010	0.1
209.11848	100.0
210.12183	6.4
215.37167	0.1
217.07207	0.8
221.06676	1.6
223.13405	0.2
225.11214	0.1
226.11566	0.1
227.12906	10.9
228.13281	0.7
232.54437	0.1
233.22888	0.2
235.08220	4.2
236.08698	0.1
243.63919	0.1
245.06648	0.2
251.12930	0.7
253.09187	0.8
259.08157	0.4
259.20612	0.3
263.07700	0.4
277.21725	39.4
278.22076	4.1
287.07745	1.9
288.07767	0.1
291.23254	0.3
301.09201	0.4
305.08783	1.6
323.09772	1.1
361.11441	0.2
379.12454	6.4
380.12662	0.5
397.13528	30.7
398.13864	2.4
401.23700	0.2
415.14590	7.3
416.14590	0.6
589.25116	0.8
607.26117	1.4
608.26434	0.2
625.27496	0.2
654.03784	0.1
657.35321	0.2
675.35938	0.5
863.30841	0.2
885.48138	0.3
909.03394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98541	0.1
71.01394	0.2
71.72867	0.1
79.95755	0.2
80.96514	0.7
94.98125	0.2
136.49071	0.1
201.02670	0.1
277.21783	0.1
296.05042	0.1
335.43170	0.1
404.76688	0.1
508.28003	0.2
598.21521	0.1
670.27155	0.1
884.47522	0.3
885.47302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.2
67.01893	0.1
68.99830	0.2
69.03468	1.1
71.01389	16.4
71.05040	0.2
71.70406	0.1
72.01740	0.2
72.99315	1.6
73.02954	2.6
75.00879	0.4
80.02690	1.0
80.96515	0.1
81.03469	1.7
83.01401	2.0
83.05037	5.0
84.02178	0.7
84.05357	0.1
85.02962	4.0
86.00102	0.2
87.00886	3.8
87.04510	0.1
89.02457	12.6
90.02782	0.2
90.46319	0.1
91.04036	0.3
93.03463	0.4
95.01409	1.3
95.05044	0.9
97.02328	0.1
97.02963	2.8
97.06585	0.2
98.20659	0.2
99.00901	1.1
99.04554	0.3
101.02462	12.2
102.02807	0.3
103.00398	0.1
103.04062	0.2
109.02962	0.4
109.06614	0.3
111.00911	0.3
111.04530	0.5
111.08173	0.2
113.02474	7.0
113.06142	0.1
114.02814	0.2
115.04020	0.2
119.03526	3.1
120.03861	0.1
121.03006	0.3
123.04556	0.2
124.01690	0.2
125.02473	5.5
125.06132	0.6
125.09737	0.1
127.03987	0.2
127.07687	0.1
129.01971	0.2
131.03546	0.6
133.05084	0.3
135.04593	0.1
135.08200	0.8
137.02451	0.2
139.04025	0.5
141.01956	0.3
143.03528	2.4
144.03908	0.2
145.05093	0.2
147.11845	0.2
149.04602	0.4
151.04007	0.1
155.03514	0.1
157.05077	0.1
161.04588	3.3
163.04036	0.1
163.11314	4.5
164.11627	0.3
165.12874	2.4
166.13242	0.1
167.03503	0.3
171.03107	0.1
173.09737	0.1
179.05640	3.5
180.05925	0.1
181.05121	0.1
181.12401	0.6
191.10794	1.1
199.06099	0.4
199.13332	0.2
203.05627	0.1
207.10330	0.2
209.11847	100.0
210.12181	6.0
217.07141	0.7
221.06691	1.4
223.13470	0.1
225.11301	0.1
227.12900	12.6
228.13248	0.8
229.82565	0.1
233.22691	0.2
235.08221	5.0
236.08624	0.3
245.06688	0.3
251.12932	0.6
253.09300	0.8
259.08203	0.6
259.20563	0.2
263.07782	0.5
269.06622	0.2
275.20108	0.2
277.21729	49.8
278.22079	4.9
287.07697	1.7
288.07901	0.2
291.23340	0.4
301.09357	0.2
305.08737	1.9
312.19321	0.1
319.22687	0.2
323.09866	0.8
341.11020	0.1
361.11450	0.4
379.12466	6.7
380.12573	0.6
397.13535	38.4
398.13852	3.3
415.14575	8.5
416.14804	0.8
427.19882	0.1
589.25171	0.6
607.25964	0.9
608.25830	0.2
657.34790	0.2
675.36145	0.7
676.37134	0.2
779.00665	0.1
842.44104	0.1
885.47522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	6.8
66.87568	0.3
68.99825	0.7
69.03455	1.0
69.47733	2.7
69.48133	0.5
71.01388	100.0
71.05013	0.5
72.01732	1.8
72.99310	1.9
73.02942	3.1
75.00900	0.6
80.02687	1.4
80.96492	0.4
81.03469	2.3
83.01405	1.9
83.05039	6.1
84.02182	1.3
85.02961	4.1
87.00887	4.1
88.51984	0.3
89.02448	11.6
93.03474	1.0
95.01398	1.2
95.05042	0.8
97.02964	4.8
97.06580	0.8
98.19786	0.6
99.00893	1.9
99.04510	0.4
101.02459	10.4
107.05075	0.4
109.02951	1.0
109.06608	9.5
110.03774	0.9
110.06976	0.4
111.00840	0.5
111.04543	0.8
113.02475	5.9
114.26918	0.4
119.03529	3.4
121.02991	0.6
121.06664	0.7
123.04498	0.6
123.08176	0.5
125.02461	4.5
125.06100	0.9
125.09719	1.8
127.11305	0.7
131.03493	0.6
133.05118	0.5
135.04593	0.4
135.08206	2.2
136.05336	0.6
137.02460	0.8
139.04059	0.5
139.07693	0.5
141.01926	0.8
142.02701	1.1
143.03542	2.0
150.03218	0.5
155.10829	0.5
161.02502	0.4
161.04581	2.2
161.09731	1.2
163.10010	0.7
163.11310	9.2
164.11621	0.5
165.02031	0.3
165.12840	2.5
167.03557	0.6
171.10283	12.5
172.10658	0.5
179.05605	3.1
179.10835	0.4
180.04233	0.3
181.12369	3.5
185.11858	1.7
189.09216	0.8
191.05658	2.1
197.11864	0.5
199.06100	0.4
199.09718	0.7
199.13388	1.1
201.11336	5.9
202.11832	0.3
203.05853	0.4
207.10281	27.1
208.10538	1.9
209.11842	68.0
210.12192	5.5
215.12877	0.7
221.06738	1.7
223.09637	0.4
225.11331	23.2
226.11688	1.5
227.12880	8.9
228.13242	0.8
235.08221	3.2
236.08368	0.4
243.02963	0.4
243.12407	2.9
245.76260	0.3
249.11169	0.5
253.09267	1.3
255.03012	0.5
263.07751	0.7
263.12607	0.5
273.17072	2.1
274.17358	2.3
275.17456	0.6
287.07657	0.4
289.07138	1.1
299.14841	0.5
305.08850	0.9
307.35828	0.3
323.09940	0.5
323.99170	0.3
379.12494	2.6
380.12778	0.5
389.06317	0.4
397.13525	19.5
398.13815	2.4
399.13721	0.4
399.21719	1.4
415.14597	7.0
416.14813	0.9
417.22949	2.0
435.23630	0.7
439.15112	0.5
498.46832	0.4
569.24536	0.6
589.25000	0.5
605.24725	2.0
607.25787	0.9
623.25708	4.1
624.25867	1.1
797.35840	2.9
798.37054	0.4
815.37006	3.1
816.37756	1.2
833.38068	8.2
834.38977	3.7
851.39172	2.1
852.39447	0.8
866.42102	0.5
883.42310	1.9
884.42291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.4
65.00031	0.3
65.00335	1.1
67.01878	0.6
71.01389	1.0
71.02850	0.3
71.71349	0.5
72.99301	0.6
73.02950	0.4
81.03433	0.3
83.01400	0.9
83.05035	0.5
85.02959	6.8
87.00893	1.4
89.02428	0.4
93.03477	4.8
107.01391	2.4
108.02243	0.7
108.09180	0.3
109.02960	1.2
111.04528	1.3
113.02501	0.4
119.05052	0.5
121.02960	1.1
123.04560	0.6
125.02460	1.9
126.28897	0.3
127.04017	1.6
133.02989	1.0
134.03790	1.4
135.04546	0.4
137.02466	0.8
148.01735	0.9
149.02484	0.6
150.03352	0.3
151.00389	8.0
151.04004	0.6
152.00885	0.6
153.01965	0.6
155.03537	0.5
159.04468	0.4
161.02490	0.7
163.00395	1.0
164.01147	0.7
169.01535	0.6
171.04430	0.3
172.05330	1.0
173.04564	4.3
173.05963	0.6
174.03450	0.3
175.04100	0.7
175.07695	0.7
177.01968	1.1
178.99890	3.4
183.04605	0.7
187.03966	0.6
187.07643	6.3
190.05086	0.3
191.05624	80.3
192.05974	3.0
193.01466	0.5
199.04085	1.3
201.05710	0.3
202.06480	0.8
203.03329	0.3
203.10844	0.5
211.04054	0.3
213.09236	2.0
215.03517	0.6
215.07140	1.3
226.02643	1.2
227.03560	2.8
227.07188	0.9
228.04141	1.2
229.04970	0.5
229.08743	0.4
231.10255	3.6
233.06703	0.4
239.13148	0.4
243.02968	6.2
244.03375	0.6
245.04340	0.5
254.02213	1.4
255.02972	18.4
256.03336	2.8
257.03851	0.6
257.08188	12.4
257.10922	0.7
257.43155	0.3
258.01642	0.5
258.08481	0.8
259.02499	1.3
267.12442	1.1
268.12735	0.4
271.02469	37.4
272.02905	6.2
273.03156	1.7
275.09247	7.8
276.09549	0.4
283.02377	0.6
284.03226	0.7
285.03973	3.5
285.13525	2.3
286.04257	1.0
286.13757	1.1
287.13818	0.5
299.01974	1.6
300.02765	90.9
301.03342	30.9
302.03543	5.8
303.04379	0.9
313.07208	1.1
331.04584	1.0
421.07837	2.8
431.13538	4.8
432.06134	0.5
432.13852	0.5
433.07736	100.0
434.08115	19.3
435.08362	7.4
436.08710	0.7
447.09451	1.8
447.18909	2.1
448.09558	1.7
448.18884	2.2
449.14697	11.6
449.19427	0.8
450.14685	1.1
461.07263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41779	0.2
63.02375	0.3
65.00323	1.2
69.54971	1.5
69.55377	0.3
71.01388	0.7
81.03458	0.4
83.01402	0.6
83.05049	0.4
85.02960	5.8
87.00883	1.3
93.03468	3.1
95.01402	0.3
98.19838	0.2
99.00854	0.3
107.01398	2.3
108.02176	0.7
109.02985	1.3
111.04532	0.8
113.02477	0.7
119.05070	0.4
121.02979	0.9
123.04552	0.3
124.01732	0.2
125.02464	1.7
127.04050	1.5
133.02985	0.6
134.03769	0.5
135.00925	0.2
135.04497	0.2
137.02435	0.3
143.03528	0.3
148.01712	0.7
149.02388	0.3
150.03227	0.7
151.00398	7.9
151.04012	0.9
152.01089	0.6
153.01949	0.5
155.03542	0.3
155.39729	0.2
159.04553	0.3
161.02449	0.4
163.00310	1.1
163.04140	0.3
164.01154	0.3
164.78816	0.2
165.02003	0.2
169.01460	0.5
171.03078	0.4
172.05275	0.8
173.04530	1.6
175.03957	0.4
177.01888	0.5
178.99889	3.3
183.04538	0.6
185.06108	0.3
187.04005	0.7
187.07655	8.4
188.07991	0.3
191.05626	80.0
192.00591	0.4
192.05966	3.1
193.01373	0.5
198.03180	0.3
199.04027	1.0
200.04729	0.4
201.05562	0.4
202.06425	0.5
203.03413	0.3
211.03873	0.4
213.09196	1.4
215.03532	0.4
215.07057	1.6
216.04155	0.2
226.02687	0.7
227.03542	3.4
227.07199	0.5
228.04243	0.9
229.05009	0.9
229.08691	0.4
231.10223	1.4
233.06938	0.3
239.03586	0.3
243.02986	6.3
244.03453	0.5
245.04581	0.5
246.05281	0.2
254.02225	1.5
255.02979	16.8
256.03357	1.6
256.05899	0.2
257.08179	12.3
258.01712	0.8
258.08600	1.1
259.02423	2.9
259.05017	0.3
271.02463	35.4
272.02917	4.9
273.03842	0.6
275.09250	3.4
276.09308	0.3
283.02377	0.7
283.05081	0.3
284.03137	0.4
285.04031	5.5
285.13245	0.3
286.01025	0.2
286.04446	0.6
299.01932	1.6
300.02759	84.4
301.03403	26.1
302.03699	2.3
303.04932	0.9
313.03580	0.4
313.07202	1.2
331.04517	1.2
349.29123	0.2
421.07794	4.1
422.08081	0.4
431.07895	0.2
431.13400	1.6
432.06668	0.2
433.07739	100.0
434.08096	12.6
434.12723	0.3
435.08243	1.8
447.09305	0.8
448.09348	1.1
449.14963	8.5
450.14905	0.9
461.07361	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	881.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41735	0.2
69.03459	1.8
70.20341	0.7
71.01389	6.5
71.05023	0.5
72.99313	18.5
73.02948	0.3
73.99698	0.2
75.00879	28.1
76.01219	0.3
81.07095	0.2
83.01389	0.5
83.05033	7.0
83.26333	0.1
84.05356	0.3
85.02965	1.8
87.00869	1.0
87.04524	1.8
89.02453	5.5
93.03445	0.2
95.01373	0.5
95.05045	0.4
97.02950	0.2
97.06583	0.2
99.00902	1.0
99.04557	0.3
101.02457	3.0
103.00392	1.4
105.07137	0.2
107.05045	4.9
107.08679	0.7
108.05362	0.2
109.02944	0.4
109.06618	1.5
111.04514	0.3
113.02469	2.2
115.04036	0.2
117.01907	0.7
118.24200	0.1
119.03516	1.4
119.05029	0.2
120.05841	1.1
121.06612	0.3
123.04501	0.2
125.02475	1.2
125.06079	0.3
129.05597	0.2
131.03569	0.2
131.08730	0.1
133.06618	3.9
133.10222	0.2
135.04539	0.6
135.08159	0.2
135.11784	0.3
139.04071	0.2
143.03543	0.2
145.10236	0.2
146.07413	0.3
147.08223	0.2
149.06096	1.7
149.09711	0.3
151.00378	0.2
151.04005	0.3
151.07674	0.3
152.04796	0.6
157.05061	1.6
157.06302	0.3
159.08170	0.9
159.11876	0.2
161.02417	0.4
161.09737	6.5
162.10153	0.4
163.07716	0.5
163.11295	1.3
170.07381	0.4
173.09789	0.3
175.04059	0.4
175.07658	0.2
175.11311	2.5
176.11649	0.2
177.01953	0.5
177.09232	0.4
177.12866	1.3
179.05701	0.3
185.09738	1.4
189.09229	3.5
190.09593	0.1
191.05643	0.8
191.10693	0.2
193.12386	0.8
199.04030	0.5
201.09210	0.2
203.10844	1.4
207.10275	2.0
217.12331	0.1
221.11844	4.6
221.13992	0.3
222.12088	0.5
223.09721	0.5
237.11363	0.2
239.12885	37.3
240.13254	2.8
243.02945	1.2
247.09860	0.2
261.04056	1.5
261.10483	0.2
265.10797	21.1
266.11105	1.5
267.07343	0.2
281.13959	0.4
283.11868	52.0
284.12186	4.4
289.07031	0.2
311.14935	0.2
325.12949	2.1
355.14032	0.4
385.15305	0.7
423.07407	0.2
433.41193	0.1
435.09247	0.5
440.42770	0.2
445.17145	100.0
446.17487	11.7
477.49045	0.2
528.63556	0.2
605.22815	0.2
618.06592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	0.3
65.00328	0.6
69.03476	0.6
70.89927	0.2
71.01396	1.3
71.71712	0.3
71.72084	0.4
71.76184	0.3
72.99319	3.6
75.00882	6.7
83.01413	0.5
83.05048	0.7
85.02960	0.9
87.00903	0.2
87.04552	0.6
89.02456	0.6
92.13553	0.2
93.03467	0.4
101.02473	0.4
102.98657	0.4
103.00378	0.2
107.01390	1.5
107.05131	0.3
108.02197	1.2
109.02974	0.7
109.06631	0.3
110.31023	0.2
113.02516	0.3
121.02959	0.8
125.02464	1.0
135.00888	0.6
135.08217	0.3
136.34235	0.3
137.02454	0.3
143.04976	0.3
148.01721	0.7
149.02496	0.4
151.00401	5.7
152.00966	0.3
163.00392	1.4
163.03952	0.3
164.01149	0.3
165.12852	0.7
169.01462	0.6
175.04005	0.3
178.99889	2.7
179.14461	0.3
183.04538	0.4
187.04051	0.8
191.05637	5.7
192.05946	0.4
199.03995	0.5
209.11844	0.9
211.04019	0.9
215.03397	0.7
216.04187	0.5
223.13487	0.4
226.02817	1.5
227.03528	4.9
227.07156	1.1
228.03986	0.6
229.05208	0.5
229.08624	0.9
239.03537	0.4
239.12865	1.9
240.13242	1.0
241.01387	0.5
241.14372	0.7
243.02998	6.6
244.03529	0.4
245.00885	0.5
245.04561	0.7
254.02249	1.4
255.02988	22.1
255.06607	1.0
256.03510	2.1
257.04675	0.3
265.10770	0.6
266.11185	0.3
267.12375	4.8
270.01559	0.6
271.02472	37.3
272.02884	4.0
273.03931	0.4
281.73535	0.3
283.02441	1.1
283.11816	2.0
284.03268	5.6
284.12280	1.3
285.03976	2.9
285.13428	11.5
286.04544	0.3
286.13812	0.8
293.83914	0.3
298.01147	0.7
299.01950	1.4
300.02768	86.6
301.03418	24.9
302.03888	1.8
419.09787	0.6
431.06277	2.5
432.06180	0.3
433.07770	100.0
434.08109	12.2
435.08002	0.3
445.17111	3.3
446.17499	3.6
447.09317	15.6
447.18665	19.1
448.09589	1.8
448.18759	1.4
461.07126	0.6
537.88531	0.2
561.22681	0.3
607.19458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	2.4
63.96233	1.7
64.09546	0.5
67.76128	0.5
69.03450	1.3
70.23866	1.9
71.01385	8.9
73.02947	1.4
78.95911	0.6
78.98601	7.8
79.94140	0.6
79.95744	22.9
80.96523	84.5
84.27139	0.5
85.02954	3.6
87.00878	2.3
94.98098	19.3
96.96020	1.6
97.02956	1.9
99.00899	0.6
101.02467	2.9
106.97411	0.7
106.98090	4.1
113.02454	0.5
122.97610	4.0
125.02449	2.9
127.04092	0.6
134.97595	5.4
136.99165	2.0
139.00941	0.5
148.99170	7.6
152.98651	7.3
164.98637	14.1
171.10368	0.8
193.10674	0.5
206.99684	3.3
220.36967	0.5
225.00740	26.0
236.10532	0.5
239.85315	0.6
255.23293	2.0
279.44876	0.6
283.04953	1.2
537.27344	2.0
623.27661	1.7
709.38531	3.0
735.40942	1.3
781.41565	1.0
879.51691	100.0
880.51959	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	879.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.3
67.90380	0.5
68.99831	0.5
69.03458	1.4
69.40275	5.9
71.01389	100.0
72.01730	1.6
72.99320	1.7
73.02943	4.4
80.96542	1.0
81.03458	1.4
83.01389	1.6
83.05029	1.2
84.66919	0.5
85.02968	4.5
87.00896	4.3
89.02453	11.0
95.01412	1.7
95.05046	0.7
97.02953	5.2
99.00896	2.4
101.02456	10.9
109.06608	8.1
110.03763	0.9
111.00922	0.6
111.04555	0.8
113.02470	8.3
119.03516	3.5
121.06610	0.7
123.22231	0.5
125.02474	5.3
125.09769	1.6
127.11303	0.9
131.03517	0.7
135.08234	1.4
141.01932	0.6
142.02730	1.0
143.03529	2.5
155.10869	0.7
161.04640	2.1
163.11302	6.1
171.10291	12.4
171.11650	0.9
179.05600	2.9
179.10789	0.8
181.12383	1.0
184.87540	0.5
185.04491	0.7
185.11884	1.5
189.09157	1.5
199.09714	1.4
201.11360	10.0
207.10289	26.8
208.10657	2.4
215.12904	0.8
217.07182	1.0
221.06763	1.3
225.11343	19.2
226.11673	1.5
235.08243	4.0
243.12456	1.6
253.09297	0.9
255.23303	41.1
256.23679	3.3
263.07642	0.9
277.21786	1.6
287.07770	1.1
305.08844	0.8
305.17761	0.6
323.52362	0.6
379.12442	3.2
397.13562	23.1
398.13828	2.6
415.14505	5.3
439.14908	0.9
605.24670	2.3
623.25360	3.3
653.38092	0.7
674.75641	0.6
822.70831	0.6
861.48895	11.7
862.49817	5.2
879.49915	3.7
880.50592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.9
69.72556	0.8
69.72986	0.8
71.01385	4.6
71.05013	0.2
72.99315	12.8
73.99664	0.4
74.00123	0.2
75.00879	19.7
76.01195	0.3
83.01427	0.3
83.05038	4.6
85.02950	1.4
87.00883	0.6
87.04537	1.1
89.02460	3.7
95.01399	0.3
98.20631	0.4
99.00891	0.8
99.04514	0.3
101.02463	1.9
103.00363	1.1
107.05043	2.8
107.08678	0.6
109.06596	0.9
113.02483	1.4
113.03206	0.3
117.02005	0.5
119.03496	1.1
120.05812	0.7
121.06647	0.3
123.04578	0.2
125.02469	0.5
133.06610	2.0
135.04520	0.5
149.06090	0.9
151.00397	0.3
152.04872	0.3
157.05058	1.0
159.08142	0.3
159.11731	0.2
161.04501	0.2
161.09734	4.3
163.07732	0.3
163.11302	1.2
169.68127	0.2
170.07466	0.2
173.09758	0.2
175.07686	0.2
175.11285	1.9
177.09189	0.2
177.12851	1.0
178.99948	0.2
182.89383	0.2
185.09724	0.9
189.09242	2.4
191.05615	0.6
193.12302	0.3
203.10799	1.1
207.10217	1.1
221.11859	2.8
223.09814	0.5
227.03384	0.3
237.11281	0.3
239.12891	28.8
240.13228	2.1
243.02998	0.7
255.02937	1.1
265.10803	10.6
266.11160	0.6
271.02481	2.4
281.14020	0.3
283.11868	29.1
284.12195	2.4
285.04053	2.4
286.04446	0.3
300.02753	5.2
301.03424	1.6
325.13034	0.8
385.14792	0.3
431.06357	0.8
433.07806	5.6
434.08179	0.5
445.17157	100.0
446.17499	12.6
447.09256	0.3
461.07260	0.8
467.72656	0.2
489.09451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	18.4
69.03452	1.4
69.78598	2.7
71.01387	15.9
71.94546	0.4
72.99295	2.0
73.02951	1.9
73.39823	0.4
75.00887	0.8
78.95934	0.5
80.02673	1.0
81.03467	1.7
82.31461	0.4
83.01398	1.7
83.05034	5.1
84.02174	1.1
85.02952	2.7
87.00887	3.2
87.76017	0.4
88.90740	0.4
88.98841	2.3
89.02453	9.9
89.99134	0.4
93.03477	0.8
95.01401	0.9
95.05019	0.8
97.02954	2.9
99.00903	0.8
101.02459	9.9
102.94033	0.4
109.02956	0.6
109.06608	0.8
113.02450	4.4
119.03520	2.6
121.02966	0.5
123.04504	0.5
124.01703	0.7
125.02470	6.1
125.06150	0.5
135.08228	0.9
137.02393	0.6
139.04021	0.5
143.03506	2.1
161.02449	0.6
161.04607	3.0
163.11299	3.6
165.12874	2.7
171.10248	1.3
177.42252	0.4
179.05650	3.5
181.12354	0.8
183.13933	4.8
191.05635	1.6
191.10794	1.3
193.12338	1.3
195.13879	1.1
199.13318	0.6
207.10277	1.6
209.11842	100.0
210.12175	5.9
211.13408	67.6
212.13783	5.0
221.06712	1.1
225.11299	1.3
227.12891	12.0
228.13255	1.2
235.08296	3.5
237.15042	1.0
251.12885	0.5
253.09273	1.3
273.17053	0.9
287.07712	1.6
289.07080	0.6
305.08759	1.8
323.09818	1.1
327.21844	0.5
379.12424	7.9
380.13025	0.7
397.13525	34.0
398.13812	3.6
415.14609	8.0
416.14978	0.7
500.23929	0.6
589.24982	2.0
591.26715	3.5
592.27051	0.8
607.26099	4.7
608.27069	1.0
609.27820	3.7
610.28058	0.6
783.38531	1.0
801.39661	1.6
819.41125	0.9
847.40161	0.9
879.42902	0.8
880.42993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46360	0.2
71.01377	0.5
71.20638	0.3
71.21013	0.3
79.05528	1.4
81.03461	8.9
82.03806	0.3
93.03477	0.2
105.03471	0.3
107.01401	0.3
108.02192	0.2
109.02969	0.2
121.02975	0.4
122.03701	1.0
123.04538	58.9
124.04866	2.4
135.08200	0.3
135.61923	0.1
135.95703	0.2
137.06081	0.2
139.11320	2.1
140.11623	0.2
141.13943	0.2
148.01703	0.2
149.02473	1.5
151.00378	0.5
160.05334	0.3
163.11305	2.8
164.11708	0.2
165.09221	1.0
167.03513	0.2
168.96973	0.2
178.99890	0.4
189.09315	0.3
198.85500	0.2
204.04204	0.3
207.10269	81.3
208.08687	0.4
208.10605	5.5
227.03474	0.2
231.10262	0.6
233.08171	5.2
234.08435	0.4
243.03033	0.7
249.11279	0.5
251.09184	1.2
255.02972	1.8
271.02478	3.8
272.02975	0.3
300.02771	8.4
301.03476	3.5
302.03824	0.2
335.85037	0.2
394.63779	0.2
413.14526	100.0
414.14868	11.1
463.08804	11.1
464.09183	1.2
626.11102	0.2
664.09534	0.2
884.56183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.0
67.69321	0.5
69.03459	4.8
71.01384	13.1
71.05032	0.8
71.72429	0.8
72.99308	1.2
73.02946	1.6
83.01379	2.3
84.22380	0.5
85.02948	3.2
87.00883	1.5
89.02456	9.4
93.03436	0.5
95.01402	0.8
97.02937	2.2
97.06618	0.6
99.00887	1.2
101.02445	9.6
111.04519	0.6
112.22988	0.5
113.02482	6.0
116.92866	0.7
119.03506	1.8
123.08188	1.3
125.02465	1.6
125.09708	2.0
136.89220	0.7
139.03920	0.5
143.03531	0.9
149.09700	0.5
151.11345	2.8
153.12825	1.2
161.04535	1.0
161.09714	2.8
162.10078	0.5
179.10780	6.0
197.11839	33.6
198.12088	1.8
209.11754	1.4
221.06618	1.6
223.09814	1.1
228.68576	0.6
235.08202	0.9
241.10823	2.3
252.85043	0.5
255.23285	44.4
256.23624	3.6
269.24979	0.6
397.13492	2.7
553.59760	0.6
621.24243	0.7
624.87274	0.7
639.24487	0.7
877.48315	100.0
878.48645	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39858	1.1
64.47958	1.2
71.20773	2.6
71.21134	2.4
79.30561	1.2
80.27885	1.1
84.98253	1.2
95.41676	1.2
111.04519	4.6
123.04565	1.3
123.08196	1.7
125.06074	6.8
151.04047	11.3
166.02727	2.7
177.01839	2.7
180.04282	3.7
191.10756	2.6
203.07101	1.5
205.46152	1.2
207.06621	3.7
208.07379	3.4
209.08235	3.8
217.08743	1.8
219.06577	4.4
219.10013	1.3
221.08209	39.2
222.08920	9.8
223.09793	4.0
231.10298	1.6
233.08138	5.4
234.08859	3.0
235.07365	2.7
235.09764	50.9
236.10431	8.7
246.79054	1.6
247.09778	5.6
249.11328	3.9
261.11127	1.5
271.46509	1.3
273.11111	1.6
275.12744	3.4
279.12439	1.6
285.11200	2.4
289.14404	4.2
291.16144	1.5
293.14087	1.6
299.12753	2.3
301.14389	4.7
303.16214	5.9
315.16003	2.9
343.19180	3.1
357.20724	2.7
359.18701	6.0
361.20053	2.6
369.20752	2.6
373.20090	5.3
375.21585	2.3
383.21930	2.2
401.23175	5.6
411.25525	1.5
415.24875	6.2
427.24442	2.5
429.26514	10.2
430.26495	2.2
441.26245	4.5
443.28104	13.3
483.30603	1.5
533.35870	1.4
543.89996	1.6
551.37256	4.9
552.37744	1.6
565.39008	2.8
567.36871	3.5
568.37195	1.6
581.38666	4.6
706.83167	1.7
717.40210	3.0
804.47583	2.3
855.54425	27.4
856.54913	7.7
873.55530	100.0
874.55731	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.2
63.46702	0.1
69.56300	0.8
71.01387	1.4
73.02946	0.5
83.01389	0.2
85.02960	0.3
89.02460	1.8
93.03468	0.2
95.01382	0.1
97.02964	0.1
99.00909	0.1
101.02447	0.7
111.04569	0.1
113.02442	0.1
119.03560	0.1
121.02961	0.6
121.06637	0.2
121.10243	0.2
122.03789	0.3
125.02468	0.9
131.03528	0.7
137.02443	0.1
147.04570	1.0
148.05324	95.9
149.04568	0.7
149.05637	4.6
163.07669	100.0
164.07993	5.0
165.02023	0.1
165.09227	5.2
166.09601	0.2
191.05598	0.7
203.05605	0.3
213.56970	0.1
293.08835	1.1
313.03513	0.3
367.13943	1.8
367.18506	0.1
368.14587	0.1
459.18732	0.4
492.34473	0.1
549.95056	0.1
632.44476	0.1
871.41003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98544	0.8
63.12515	0.3
63.99264	0.5
69.03461	6.3
70.47826	1.3
70.48190	0.5
71.01400	4.9
71.05025	3.9
73.02952	0.7
79.95739	4.1
79.96136	0.5
80.02688	1.1
80.96519	2.3
81.03474	1.7
83.01404	0.5
83.05042	4.1
84.02181	0.4
85.02982	1.4
87.00893	1.1
89.02451	2.8
93.03495	0.5
94.98110	0.5
95.05067	0.7
96.96030	2.7
97.02958	2.5
98.19986	0.4
99.00878	0.9
101.02468	3.5
109.06606	11.5
111.04500	0.5
113.02463	1.5
114.93456	0.5
121.06635	0.8
123.04527	0.6
123.08190	0.6
125.02490	1.3
125.09723	2.5
135.08188	1.5
136.05313	0.6
137.09737	1.1
142.02739	1.1
151.04039	0.4
153.12871	11.5
153.14079	0.7
154.13139	0.5
161.04590	1.0
161.09735	0.6
163.11304	7.8
164.11673	0.6
164.98654	0.7
165.12883	0.8
171.10333	0.8
181.12384	1.9
185.11906	1.0
189.09251	1.1
191.05659	0.7
191.10689	0.5
197.11855	7.2
198.12450	0.5
201.11392	0.7
207.08620	0.5
207.10281	31.1
208.10643	2.2
209.11845	46.0
210.12152	2.5
211.13466	0.4
221.11877	0.9
225.11327	15.7
226.11681	0.9
227.12894	8.2
228.13374	0.6
231.10194	0.8
235.08295	2.1
237.11295	0.4
247.13458	0.4
249.11345	1.0
253.09283	5.1
263.12903	0.4
265.14648	0.7
299.15060	0.4
354.01379	0.4
373.24033	0.6
389.23828	0.4
397.13641	0.6
399.21826	3.8
417.22870	2.4
427.10318	0.4
443.19250	1.4
445.20770	0.7
461.20190	6.0
609.29620	0.5
625.32538	0.7
627.29865	0.7
635.30908	13.8
636.31372	2.9
638.94867	0.4
653.31891	13.2
654.32159	2.7
671.32971	19.0
672.33179	3.3
869.40521	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	869.181
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.6
66.26524	0.4
69.71568	0.5
82.24541	0.4
83.01408	0.8
84.16618	0.4
87.15245	0.4
95.01413	0.4
98.19785	0.9
99.08186	0.6
103.47416	0.5
107.01419	1.7
109.02980	1.2
112.51952	0.4
121.02944	0.5
125.02475	0.6
135.00859	0.5
139.69450	0.5
149.99593	0.9
151.00365	5.4
163.00345	1.1
174.03215	0.6
178.99898	2.2
187.03896	0.5
191.05692	0.8
199.04065	0.8
215.03474	0.7
227.03349	0.8
229.04947	0.5
230.02184	10.4
231.02695	0.9
233.14699	0.5
243.02946	2.7
245.04446	0.5
255.02974	6.0
256.03363	0.7
258.01682	71.7
259.02277	12.6
260.02856	0.5
261.03989	1.1
271.02472	17.6
272.02994	3.0
273.04007	2.0
285.04050	0.9
287.20303	0.6
299.01929	2.9
299.99316	1.0
300.02762	28.4
301.03503	29.2
302.03946	2.5
304.28824	0.6
305.21387	0.9
313.03470	1.0
328.50403	0.5
331.04645	5.3
403.06766	1.2
421.07767	100.0
422.08072	10.5
447.09344	43.3
448.09763	7.0
449.09979	1.0
477.10495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	2.0
65.00332	3.8
69.90887	1.8
71.01392	3.4
71.07789	0.3
75.00871	0.5
83.01398	2.6
85.02969	1.6
85.03395	0.3
91.01884	0.4
93.03477	1.3
95.01392	0.5
99.00855	0.5
103.00378	0.8
107.01403	8.0
109.02967	4.1
113.02486	1.8
115.00347	0.3
119.01385	0.5
121.02963	6.8
135.00908	0.6
139.04051	0.4
149.01375	0.2
149.02438	1.3
151.00394	31.1
152.00719	1.4
153.72536	0.2
159.04573	0.5
161.02478	0.4
163.00378	4.0
163.04062	0.2
164.01193	0.4
169.01454	2.1
171.04521	0.5
175.02463	1.0
175.03923	0.6
178.99881	16.1
180.00243	0.8
183.04469	0.5
185.06169	0.6
187.04018	0.7
189.05542	0.3
190.99971	0.5
192.00650	0.5
193.01550	0.4
199.03975	0.3
201.05617	1.1
203.03487	0.6
211.03996	1.5
212.04483	0.4
227.03500	1.4
228.04196	0.5
229.05101	2.0
239.03426	0.6
240.04356	0.4
241.69405	0.3
243.03108	0.4
245.04529	3.0
255.03003	4.3
256.03638	0.6
257.04312	0.6
258.01654	0.9
259.02408	1.0
266.02271	0.4
271.02383	1.4
272.03247	0.4
273.04019	2.9
283.02478	2.6
284.02927	0.3
299.01984	0.6
300.02686	0.7
301.03543	100.0
302.03894	8.9
331.04581	0.9
391.06708	1.5
477.06738	72.6
478.07104	8.6
594.35321	0.4
625.33099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	2.0
65.00319	3.1
71.01391	2.6
71.72167	0.2
72.99314	0.3
73.02946	0.3
75.00878	0.5
79.95743	0.2
83.01400	2.5
83.53250	0.1
85.02962	1.6
87.00896	0.4
91.01899	0.3
93.03472	1.0
93.43456	0.1
95.01411	0.6
99.00887	0.6
103.00401	0.6
105.23712	0.1
107.01406	7.1
109.02965	4.0
111.00894	0.3
113.02486	1.4
115.00410	0.2
117.01928	0.2
119.01422	0.6
121.02971	7.0
122.03308	0.3
123.05873	0.2
124.01732	0.1
125.02426	0.4
128.31305	0.1
135.00900	0.4
137.02505	0.2
139.04051	0.6
146.03683	0.2
147.00877	0.3
147.04469	0.2
148.01657	0.3
149.02469	1.2
151.00391	29.9
152.00728	1.2
157.06523	0.2
159.04524	0.5
161.02515	0.3
163.00400	4.3
163.04004	0.4
164.01097	0.5
165.01938	0.2
167.05009	0.3
169.00131	0.2
169.01456	1.9
171.04541	0.3
173.06105	0.5
174.36559	0.2
175.02484	1.1
175.04044	0.5
178.99879	14.6
180.00221	0.7
183.04561	0.7
185.06125	0.3
187.04053	0.8
189.05595	0.4
190.99869	0.5
192.00612	0.5
193.01454	0.6
199.04027	0.4
201.05540	0.8
203.03531	0.4
205.05032	0.4
211.03978	2.0
212.04710	0.3
213.01915	0.4
214.02705	0.2
215.03543	0.3
227.03528	1.7
228.04155	0.3
229.05080	2.0
230.02336	0.2
230.05406	0.2
239.03511	0.8
240.04272	0.2
243.02933	0.6
245.04556	3.1
255.02975	4.7
256.03564	0.8
257.04514	0.4
258.01614	0.9
259.02463	0.9
266.02118	0.4
271.02481	1.6
272.03107	0.6
273.04013	2.8
273.33231	0.1
274.04367	0.3
283.02466	2.6
284.03088	0.5
299.01935	1.1
300.02567	0.9
301.03537	100.0
302.03879	8.6
313.03522	0.2
331.04675	1.2
391.06677	1.8
392.07092	0.2
477.06735	72.8
478.07068	9.7
849.41309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71552	0.2
61.98823	0.4
64.39738	0.2
67.79020	0.2
69.03470	0.4
69.50099	1.2
71.01389	7.8
71.05014	0.2
71.99202	0.2
72.01692	0.2
72.99313	0.6
73.02940	1.1
75.00913	0.2
80.02690	1.1
81.03462	1.3
83.01400	1.1
83.05033	5.2
83.14371	0.1
84.02185	0.9
85.02962	1.5
87.00878	1.6
89.01910	0.3
89.02457	6.8
93.03450	0.3
95.01411	0.4
95.05025	0.7
97.02989	1.2
97.06578	0.2
98.37273	0.2
99.00901	0.5
101.02456	6.3
103.00349	0.1
108.80094	0.1
109.02939	0.2
109.06615	0.4
111.04549	0.2
113.02460	3.3
119.03504	1.8
120.24538	0.1
121.02950	0.2
125.02470	2.8
125.06100	0.5
125.09711	0.2
127.04093	0.2
129.01909	0.3
131.03510	0.4
131.25520	0.2
135.02927	0.2
135.08179	0.7
137.02452	0.4
139.04030	0.2
141.01964	0.2
143.03532	1.3
147.11789	0.2
149.04579	0.3
149.09706	0.2
149.41367	0.2
149.61951	0.2
161.02481	0.2
161.04581	1.8
163.11305	3.9
164.11632	0.2
165.12883	2.5
166.13235	0.2
167.03494	0.2
171.10260	0.5
175.04057	0.2
177.01949	0.2
179.03441	0.2
179.03949	0.2
179.05618	2.2
181.12341	0.5
191.05663	0.5
191.10796	1.3
192.11031	0.2
199.06163	0.3
199.13400	0.3
201.11423	0.3
207.10283	0.4
209.11839	100.0
210.12180	6.6
216.69725	0.2
217.07190	0.4
221.06656	0.8
223.09767	0.6
225.11331	0.4
227.12894	16.2
228.13228	1.2
235.08229	2.5
251.12918	0.6
253.09280	0.5
259.08289	0.3
259.15558	1.5
263.07718	0.2
265.14325	0.2
287.07751	1.1
289.07419	0.2
305.08698	0.9
323.09735	0.8
379.12442	3.6
380.12851	0.5
397.13522	21.1
398.13818	1.7
415.14603	5.3
415.18939	0.2
416.14963	0.5
589.25079	1.3
603.28241	0.2
607.26086	2.9
608.26227	0.4
698.18652	0.2
799.37573	0.9
817.38123	0.3
849.37689	0.4
872.85535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	8.4
67.01886	0.6
67.25305	0.4
68.99829	1.0
69.03453	2.4
71.01387	100.0
71.05028	0.7
71.71815	0.7
72.01729	2.0
72.99327	2.7
73.02954	5.4
75.00877	1.2
79.95734	0.4
80.02683	1.1
80.96542	1.0
81.03476	2.9
83.01398	2.5
83.05032	2.9
84.02187	1.1
85.02953	6.4
87.00886	14.1
89.02457	16.8
92.96198	0.4
93.03478	1.5
95.01410	2.4
95.05036	2.1
96.96073	0.4
97.02969	7.5
97.06613	1.3
98.03303	0.5
99.00900	3.9
99.04543	1.0
101.02462	14.0
102.02827	0.6
106.04263	0.7
107.05031	1.1
109.02982	0.9
109.06609	13.2
110.03746	1.8
110.06960	0.5
111.00909	0.9
111.04561	2.5
113.02460	10.2
116.92851	0.9
119.03506	5.2
120.03886	0.4
121.02987	1.3
121.06648	0.9
122.03792	0.8
123.00886	0.5
123.04556	1.0
123.08176	1.2
125.02471	6.3
125.06087	1.0
125.09752	5.1
127.11335	2.1
129.01962	0.4
131.03490	1.0
135.08215	2.4
136.05299	0.9
137.02475	0.9
137.09731	0.9
139.04034	1.0
139.07628	0.8
139.11302	0.5
141.01942	1.2
142.02722	1.4
143.03539	2.5
145.10310	0.6
149.04613	0.5
149.09767	1.1
151.07736	0.5
151.10193	0.4
151.11333	1.0
153.09233	0.8
155.10820	1.5
159.02959	0.4
161.04597	3.2
161.09740	2.9
163.04073	0.4
163.11314	10.7
164.11700	0.5
165.01927	0.9
165.09222	1.1
165.12880	0.6
167.03517	0.5
167.10809	0.6
171.10289	26.1
172.10649	1.1
177.09158	0.7
179.05655	3.8
179.10814	2.8
181.12370	4.9
183.10257	0.6
185.11832	2.5
187.09750	1.8
189.09213	1.3
191.03868	0.4
191.05608	1.9
195.10471	0.4
197.11874	2.9
199.09846	2.1
199.13383	1.5
201.11334	16.1
201.13194	0.9
202.11684	1.0
203.05573	0.5
205.08740	2.9
207.10277	35.4
208.10609	2.4
209.11844	26.8
210.12166	2.6
211.13383	1.1
213.09256	0.4
213.11378	1.3
215.12788	2.7
217.07249	0.6
221.06645	2.3
221.11909	0.6
223.09776	8.4
223.13396	0.4
225.11324	36.1
226.11687	3.2
227.12955	3.7
235.08212	3.4
235.13441	0.4
239.12959	0.5
241.10835	1.1
243.12389	3.2
249.11304	0.7
253.09277	1.1
263.07712	0.9
267.05344	0.4
287.07642	0.9
299.15036	0.9
305.08783	0.8
325.50488	0.4
379.12527	1.5
397.08292	0.8
397.13504	13.2
398.13919	1.5
415.14590	5.8
415.20630	1.0
416.14780	0.5
433.21857	0.6
439.14957	0.5
451.45544	0.5
461.20135	0.5
499.29001	0.8
567.22424	0.7
569.25232	0.5
605.24432	1.5
606.24231	0.5
621.24316	0.6
623.25684	6.2
624.26312	1.0
639.25476	0.4
684.13940	0.5
777.35773	2.1
778.36542	1.6
795.35791	0.6
798.08759	0.5
813.35864	1.5
831.37048	1.8
832.37146	1.0
849.37726	1.8
850.38678	0.8
861.82037	0.5
867.41016	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	866.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98542	0.2
63.43669	0.1
63.99266	0.1
69.56088	0.6
71.01392	0.5
75.00904	0.1
76.56152	0.1
78.95926	0.3
79.95751	0.3
80.96517	0.5
83.66653	0.1
85.02982	0.1
87.00915	0.1
88.98834	0.1
94.98097	0.2
96.96030	0.5
96.96992	0.2
101.02455	0.1
105.22051	0.1
109.06602	0.1
116.92860	0.1
121.02950	0.1
123.04603	0.1
125.02483	0.2
125.95924	0.1
137.02545	0.1
139.83566	0.1
144.01996	0.1
147.04343	0.1
151.03967	0.1
162.26958	0.1
171.10303	0.2
191.05652	0.1
197.11833	0.1
207.10352	0.2
209.11852	0.6
211.13486	0.2
225.00603	0.1
225.11336	0.2
289.07220	0.1
372.58307	0.1
397.13351	0.1
638.65558	0.1
683.98590	0.1
866.40729	0.1
867.40216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98540	0.2
71.01379	0.4
71.71606	0.1
72.99335	0.1
78.95910	0.1
79.33929	0.1
79.95749	0.2
80.96532	0.2
83.01428	0.1
83.05071	0.1
85.02962	0.1
85.98444	0.1
87.00919	0.1
88.98862	0.1
89.02478	0.1
91.48830	0.1
94.98096	0.1
96.96040	0.2
101.02512	0.1
121.02984	0.1
123.04599	0.1
125.02505	0.2
137.02429	0.1
151.04016	0.1
171.10329	0.1
191.05707	0.1
197.11826	0.1
199.13531	0.1
201.11382	0.1
207.10320	0.2
209.04539	0.1
209.11841	0.4
210.12135	0.1
211.13390	0.1
225.11377	0.1
227.13019	0.1
235.02051	0.1
243.86679	0.1
341.23251	0.1
397.13876	0.1
400.24094	0.1
866.40472	0.1
867.41431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96243	1.1
65.50156	0.2
69.03453	0.9
71.01387	6.8
72.99304	0.5
73.02956	1.4
78.98602	6.5
79.95746	17.2
80.96526	76.1
81.03463	0.7
82.96114	0.6
83.05020	0.3
85.02959	2.4
87.00883	2.4
87.17014	0.3
94.98100	17.4
95.01420	0.3
96.96027	1.5
97.02415	0.3
97.02954	1.7
99.00895	0.5
101.02455	2.8
104.60419	0.3
106.98109	3.3
113.02518	0.3
122.97618	3.5
125.02470	3.3
126.02842	0.3
127.04013	0.6
129.52422	0.3
134.97600	5.4
136.99170	1.6
143.03531	0.3
146.97586	0.4
148.99174	6.1
152.98662	6.1
161.04524	0.4
164.98651	13.1
165.99014	0.3
167.00223	0.5
171.10281	0.5
179.00183	0.4
188.98622	0.5
203.20680	0.3
206.99689	3.1
219.41890	0.3
225.00746	23.6
226.00981	0.9
241.00130	0.4
243.01695	0.3
244.73596	0.3
255.23343	1.3
283.04947	0.9
309.99564	0.3
327.21872	0.3
333.80649	0.3
355.07178	0.3
537.27338	1.7
560.33087	0.3
609.25781	2.1
767.41644	0.5
865.50214	100.0
866.50586	28.1
866.68567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	9.7
67.01851	0.7
68.99802	1.0
69.03461	1.5
71.01385	22.6
72.99324	1.6
73.02947	2.7
79.95732	0.8
80.02682	1.3
80.96504	1.1
81.03458	2.8
83.01389	1.9
83.05031	4.8
84.02161	1.1
85.02953	6.3
87.00890	5.0
89.02454	15.7
93.03495	1.2
95.01407	1.1
95.05077	0.8
97.02972	2.9
99.00913	1.4
101.02453	12.4
109.02959	1.5
109.06602	2.0
111.04518	1.1
113.02465	6.9
114.39288	0.6
119.03503	3.5
121.02948	1.2
123.00929	1.0
123.04565	0.9
125.02467	8.7
128.03551	1.2
129.01952	1.1
131.03525	0.8
133.03004	0.8
135.08183	1.0
137.02464	1.5
138.03275	1.2
139.03993	1.0
143.03461	3.3
149.02452	1.2
151.04066	1.7
151.30113	0.6
153.05598	1.9
153.12854	1.6
161.02452	1.3
161.04587	4.8
163.11307	5.3
164.01207	0.6
165.01956	1.5
165.12837	2.3
168.04196	1.1
168.73897	0.7
169.12381	5.6
171.10287	2.9
174.88962	5.5
175.02496	1.5
176.01172	2.2
177.01923	1.6
179.05592	3.1
179.10762	1.5
181.12372	1.2
191.03503	1.9
191.05626	6.3
191.10812	1.2
192.04318	2.6
193.01486	1.4
193.04808	1.0
197.11844	83.1
198.12186	4.8
201.11292	1.1
207.06667	2.2
207.10286	4.1
208.03748	2.2
209.11841	100.0
210.12140	7.5
211.13380	2.9
221.06682	1.8
223.06137	4.1
223.13419	1.3
225.11304	4.1
227.12898	16.4
228.13275	1.5
235.08206	4.8
237.14996	3.1
238.15329	1.9
253.09254	0.7
253.95557	0.8
287.07895	1.4
289.07230	1.5
305.08774	1.5
323.09857	1.6
378.39426	0.8
379.12509	9.7
380.12680	1.3
383.25671	0.7
397.13525	39.4
398.13870	2.9
415.14569	8.0
577.24933	6.0
578.26038	0.8
589.24988	3.5
590.24756	1.1
595.26080	8.2
596.26685	1.5
607.26105	2.3
608.26617	1.2
623.26575	0.8
625.76984	0.7
640.21704	2.5
641.22491	0.8
708.34088	0.7
745.38867	0.9
787.37811	1.6
805.41608	0.8
833.38031	2.7
865.27985	1.2
865.42883	1.2
898.69196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	1.4
65.03956	0.4
67.01885	0.6
68.99849	0.5
69.03465	0.6
71.01371	0.9
81.03465	1.9
83.01397	5.8
89.03944	0.7
91.01930	0.4
93.03478	2.2
95.01412	1.3
95.05020	2.0
97.02966	2.6
98.63816	0.4
105.03470	0.6
107.01390	1.6
107.05046	1.3
108.02162	1.1
109.02969	18.4
110.03300	0.9
113.02500	0.5
117.03489	1.4
119.05063	0.7
121.02968	4.8
122.03743	1.2
123.00918	0.6
123.04544	12.8
124.01681	0.6
124.04887	0.6
125.02462	100.0
126.02786	3.7
131.05070	1.0
132.02148	0.6
133.02968	6.0
135.00937	0.4
135.04526	2.2
137.02464	29.5
138.01930	0.8
138.02928	0.7
139.04008	3.1
143.04973	0.9
145.02963	1.5
146.03690	0.6
147.04524	1.4
148.01663	0.5
149.02464	6.9
149.06088	0.6
150.03203	1.1
151.00410	5.5
151.04027	11.7
152.00815	0.5
152.04294	0.6
153.01933	0.4
155.05070	0.5
157.02937	0.4
157.06583	0.4
158.03729	0.5
159.04562	3.6
160.05293	0.6
161.02461	38.4
161.06087	3.3
162.03091	3.1
163.00378	4.1
163.04036	5.2
164.01175	4.7
165.01967	5.6
166.02603	0.4
167.03516	1.7
169.01434	0.5
172.05400	0.4
173.02524	0.6
173.06096	1.3
174.03224	1.2
175.02501	0.8
175.04024	12.4
175.07558	0.6
176.01117	2.5
176.04332	0.4
177.01952	12.4
177.05562	1.8
178.02484	1.1
178.99895	2.5
179.03525	4.5
180.00200	0.7
183.04486	0.9
185.06078	1.0
187.04018	8.4
187.07748	0.6
188.04784	2.5
189.01950	0.8
189.05568	1.6
191.03525	1.1
191.05582	0.8
197.06129	0.5
199.04005	2.9
199.07684	0.4
200.04573	0.6
201.01941	1.1
201.05580	2.8
202.06247	1.3
203.03479	2.8
203.07153	8.1
204.04143	0.5
205.01439	3.6
205.05051	6.1
211.04024	2.4
212.04677	1.2
213.05598	2.2
214.02696	0.9
215.03513	2.1
215.07428	0.4
217.05034	2.4
218.05783	0.4
219.02899	0.7
221.08257	1.0
225.05594	1.3
227.03462	3.4
227.07094	1.5
228.04213	2.5
229.01541	0.7
229.05038	5.6
230.05652	1.2
231.02939	2.4
231.06595	1.2
232.03580	0.5
237.05605	0.7
239.03453	0.7
240.04260	0.7
241.05009	1.4
242.05719	0.5
243.02963	7.3
243.06657	1.5
244.03450	1.2
245.04524	11.6
245.08186	10.9
246.04851	0.9
246.08543	0.8
247.06134	1.1
253.05078	2.0
255.02954	18.7
255.06694	0.8
256.03665	6.8
257.04507	3.8
259.06073	0.5
261.03806	1.8
262.04312	0.5
267.02942	0.8
268.03683	1.1
269.04575	3.0
269.07382	0.5
271.02414	1.8
271.06027	1.0
273.03995	4.5
274.04285	0.5
281.04547	4.9
282.01666	1.0
282.04889	0.7
283.02423	3.5
283.05283	0.5
284.03189	0.8
285.04083	5.2
285.07236	0.6
286.04706	0.6
287.05634	11.4
288.02701	1.1
288.05997	1.2
289.07169	35.4
290.07510	3.9
297.04074	1.7
297.07602	1.0
298.04773	0.7
299.01981	4.2
299.05615	11.1
300.02612	1.2
300.05896	0.7
301.03540	16.3
301.06601	0.6
302.03922	4.2
303.04236	0.7
305.04678	0.6
309.03989	0.6
315.08640	0.5
321.07544	0.6
323.05573	0.7
329.06702	1.1
331.08267	0.7
337.07352	0.4
339.08752	4.8
340.09039	0.5
347.05701	0.6
381.09763	3.9
383.07620	1.1
389.06293	0.7
391.04593	0.8
405.05792	0.6
407.07709	54.0
408.08057	7.3
409.09512	0.7
413.08542	0.5
417.06003	1.0
419.07709	0.9
425.08789	23.2
426.09277	2.4
433.09302	0.9
435.07162	3.5
447.07114	0.8
449.08517	2.0
451.10312	18.7
452.10809	3.5
457.08963	1.8
461.08893	2.1
477.06598	10.1
478.06836	2.8
499.10150	1.7
517.11145	1.4
525.08319	6.0
526.08655	1.3
543.09119	10.6
544.09650	1.9
559.12158	1.8
561.10553	7.9
562.10583	1.0
569.10925	11.0
570.11578	2.0
575.11902	0.6
577.13568	15.3
578.13745	2.9
587.11945	12.3
588.12451	2.7
613.13605	3.1
677.13123	0.7
695.14264	12.9
696.14105	2.5
713.15192	3.1
714.16125	0.6
739.16852	3.0
740.17303	0.6
865.20325	2.4
866.21265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	0.4
67.01888	0.4
69.13290	0.4
69.95572	2.3
71.63480	0.3
76.07571	0.4
81.03462	1.0
83.01396	4.0
83.05038	0.7
89.03976	0.4
93.03470	1.5
95.01400	0.7
95.05037	1.0
96.99982	0.4
97.02958	1.8
105.03490	0.4
107.05053	1.6
108.02173	0.9
109.02966	11.8
110.03334	0.5
117.03494	0.9
119.05080	0.4
120.02184	0.5
121.02984	2.8
122.03708	0.5
123.04542	8.0
124.01714	0.4
125.02466	100.0
126.02806	2.6
131.05035	1.0
133.02982	4.7
135.01048	0.3
135.04555	2.1
137.02457	13.4
139.04022	1.9
141.92250	0.4
143.05067	0.7
145.02946	0.7
146.03772	0.7
147.04527	0.8
149.02457	3.0
149.06116	0.4
150.03151	1.0
151.04034	10.2
155.85791	0.4
159.04532	2.1
160.01720	0.4
160.05267	0.4
161.02464	31.8
161.06082	2.2
162.03177	2.6
163.00383	3.0
163.04019	3.5
164.01167	5.6
165.01958	5.9
167.03519	1.8
173.06104	1.0
174.03223	0.9
175.04022	14.2
175.07501	0.5
176.01193	1.1
176.04375	0.6
177.01949	10.3
177.05597	1.0
178.02420	0.4
179.03549	2.7
183.04532	0.8
185.06154	0.7
187.04027	4.0
188.04756	1.6
189.01945	1.8
189.05574	0.8
190.02614	0.9
191.03474	0.8
193.05080	0.5
199.04025	3.4
199.07825	0.6
200.04852	0.4
201.01967	1.1
201.05577	2.2
202.06456	0.7
203.03528	2.9
203.07173	4.6
204.00540	0.4
205.01476	1.5
205.05063	3.6
211.04021	1.0
212.04710	0.6
213.05614	0.9
214.02742	0.8
215.03491	1.5
215.07051	0.5
215.49304	0.4
217.01591	0.5
217.05054	7.4
218.05397	0.5
219.02995	2.8
219.06581	1.1
221.08113	0.8
225.05553	1.0
227.03543	1.6
227.07167	1.1
228.04112	0.8
229.05016	2.6
231.03044	1.6
241.05069	0.8
242.06012	0.4
243.02975	17.5
243.06610	1.6
244.03439	1.8
245.04567	10.5
245.08214	6.9
246.04851	0.8
246.08458	0.9
247.06128	0.6
253.04990	0.8
255.02965	7.5
256.03702	2.7
257.04492	1.6
259.02298	0.6
261.03967	5.6
267.02942	0.6
269.04538	2.9
271.06171	0.8
273.03787	1.8
279.02939	0.7
281.04608	2.6
282.01740	1.1
283.02487	1.7
284.03152	0.5
285.04028	2.7
287.05618	28.9
288.05896	2.3
289.07178	21.3
290.07596	1.8
293.04315	0.6
295.02731	0.5
295.06458	0.5
297.04190	0.6
298.04834	0.5
299.05585	4.2
300.06155	0.7
315.08856	1.4
327.04993	1.2
329.06665	1.1
337.07330	0.8
339.08838	2.0
341.06754	1.5
347.05667	0.5
363.05084	1.0
365.06815	0.4
379.07831	0.5
381.09827	1.1
383.07693	0.8
387.04895	0.8
391.04507	0.7
395.07779	0.7
405.06097	5.4
407.07727	22.0
408.07910	2.9
413.08755	8.0
414.09149	1.4
417.06009	0.5
423.07211	4.6
424.07410	0.7
425.08783	14.0
426.09100	1.8
435.07370	0.9
449.08801	7.4
450.09027	1.1
451.10358	8.0
452.11020	1.1
465.08185	0.5
467.09735	0.8
517.11304	0.5
525.08331	1.7
526.08661	0.5
533.10938	1.1
543.09167	4.7
544.09839	1.1
557.10822	0.6
559.12555	1.3
561.10419	2.5
568.32678	0.4
569.10864	1.7
575.11963	6.7
576.12537	1.6
577.13544	13.8
578.14105	2.4
587.11963	3.8
588.12262	0.6
677.13397	0.9
695.14368	7.3
696.13922	1.9
713.15332	3.9
714.15985	1.0
737.88782	0.4
739.16724	2.4
740.17316	0.6
865.19720	2.4
866.21747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03973	0.4
69.03457	0.3
69.62743	1.3
69.63175	0.8
71.54431	0.2
81.03473	0.9
83.01392	3.8
83.05048	0.3
89.03975	0.7
93.03499	1.4
95.05022	0.9
97.02981	1.7
99.04510	0.3
105.03489	0.5
107.05046	1.7
108.02196	1.0
109.02967	9.3
110.03294	0.4
117.03493	0.8
119.05084	0.4
120.02165	0.4
121.02969	2.3
122.03741	1.0
123.00906	0.5
123.04539	6.8
124.01670	0.5
124.04916	0.4
125.02464	100.0
126.02794	3.6
131.05054	1.2
133.02971	4.8
134.03275	0.3
135.00926	0.3
135.04539	1.9
136.01590	0.3
137.02467	12.8
139.04051	1.7
145.02960	0.4
146.03796	0.5
147.04501	0.7
149.02461	3.2
149.06145	0.4
150.03235	0.9
151.04024	11.0
151.05249	0.5
152.04372	0.5
158.03741	0.4
159.04558	2.6
160.05266	0.4
161.02461	31.3
161.06036	1.8
162.03152	2.6
162.46364	0.2
163.00371	2.6
163.04039	4.5
164.01186	5.8
165.01952	4.5
166.02454	0.5
167.03554	1.3
173.02403	0.6
173.06082	1.5
174.03250	0.8
175.04025	13.6
175.07620	0.5
176.01178	0.7
176.04352	1.3
177.01953	9.9
177.03510	0.5
177.05603	1.2
178.02315	0.4
179.03568	2.1
180.03764	0.3
183.04538	0.9
185.02534	0.4
185.06050	0.7
187.04031	4.4
188.04800	1.5
189.01968	1.8
189.05579	0.8
190.02644	0.6
191.03523	1.1
193.05040	1.2
193.06602	0.3
197.06084	0.6
199.03996	3.3
200.04483	0.4
201.01959	1.1
201.05569	2.5
202.02597	0.4
202.06148	0.7
203.03545	2.6
203.07130	3.5
204.07523	0.3
205.01445	1.2
205.05075	3.6
208.05803	0.2
211.04033	0.9
212.04745	0.5
213.01933	0.3
213.05569	0.9
214.02710	0.7
215.03499	1.0
215.07048	0.5
216.00591	0.3
216.04170	0.3
217.01569	0.5
217.05060	6.3
218.05461	0.4
219.03004	3.5
219.06561	0.5
221.08171	0.6
225.05536	1.1
227.03532	1.6
227.07101	0.8
228.04269	0.8
229.05095	2.3
230.05623	0.4
231.03046	1.0
231.06516	0.4
239.03433	0.5
240.04271	0.4
241.05081	1.0
242.02213	0.5
243.02980	16.2
243.06644	1.2
244.03392	1.6
244.07094	0.4
245.04552	10.5
245.08209	4.7
246.04855	0.8
246.08408	0.4
247.06049	0.7
253.05103	0.8
255.02979	6.5
255.05946	0.4
255.06654	0.4
256.03702	2.3
257.04517	1.8
261.04044	5.2
262.04337	0.3
267.06769	0.3
268.03586	0.4
269.04520	2.3
270.04950	0.5
271.06140	0.8
273.04004	1.9
279.02939	0.3
281.04605	2.3
282.01767	1.1
283.02426	2.2
284.03217	0.4
285.04016	1.9
285.07263	0.5
286.04868	0.5
287.05612	26.5
288.05951	2.7
289.07175	17.3
290.07599	1.7
293.04559	0.6
294.05124	0.3
295.02570	0.4
295.06088	0.5
297.04111	0.9
297.07629	0.5
299.05594	3.3
305.04706	0.5
315.08737	0.9
327.04947	0.4
329.06778	0.8
331.08200	0.5
337.07211	0.5
339.08813	1.7
341.06769	1.4
347.05377	0.4
363.04895	0.6
363.09061	0.3
365.06488	0.3
379.08246	0.4
381.05710	0.6
381.09949	1.1
383.07739	0.7
387.05200	0.7
391.04181	0.4
395.07809	1.1
405.06064	3.9
406.06638	0.6
407.07727	19.2
408.07999	3.3
413.08749	6.0
414.09213	0.9
423.07166	4.5
424.07639	0.9
425.08817	11.7
426.09119	1.3
435.07242	0.8
447.07114	0.3
449.08664	6.6
450.09216	0.9
451.10370	6.3
452.11035	0.8
467.09933	0.8
517.11151	0.4
525.08417	1.3
533.10638	1.5
534.11108	0.4
543.09149	2.7
544.09753	0.5
557.11743	0.4
559.12531	0.9
561.10559	1.5
569.11224	1.3
573.02222	0.3
575.11969	6.5
576.12421	1.4
577.13580	9.8
578.13818	2.1
587.11932	3.2
588.12671	0.5
677.13275	0.5
695.14240	6.6
696.14282	1.8
713.15167	3.4
714.16052	1.0
739.16595	2.4
865.20215	2.2
866.20782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14501	0.2
69.03465	1.1
69.67128	2.1
71.01385	15.0
72.99304	1.4
73.02954	2.3
75.00883	0.4
76.48267	0.2
79.18999	0.2
80.02679	0.9
81.03461	1.9
83.01389	1.3
83.05032	5.0
84.02169	0.7
85.02953	3.2
85.72287	0.2
87.00877	4.1
87.04515	0.2
89.02454	12.3
90.02790	0.3
91.04036	0.3
95.01400	1.2
95.05035	0.8
96.71399	0.2
97.02963	2.1
99.00890	1.0
99.04530	0.3
101.02458	11.1
102.02774	0.3
109.02948	0.4
111.00918	0.3
113.02470	5.5
114.02796	0.3
119.03503	3.3
121.03008	0.2
125.02467	5.4
125.06117	0.3
127.04085	0.3
131.03505	0.5
133.05070	0.4
135.08185	0.5
139.03973	0.5
141.01968	0.5
143.03542	2.4
149.04576	0.3
155.03508	0.3
156.66022	0.3
161.04572	3.2
163.11307	3.7
165.12799	2.1
167.03445	0.4
179.05623	3.6
181.12416	0.3
191.10751	0.8
199.06039	0.7
203.05536	0.3
209.11836	100.0
210.12186	5.8
217.07146	0.8
221.06647	1.4
227.12898	12.0
228.13179	0.6
235.08202	4.9
235.10341	0.4
251.13002	0.4
253.09209	0.7
255.23282	53.4
256.23639	5.2
259.08231	0.5
263.07721	0.5
269.24771	0.6
287.07718	2.0
295.10117	0.3
297.24411	0.3
305.08676	1.9
323.09949	1.0
379.12445	8.7
380.12891	0.7
397.13519	40.7
398.13940	3.1
415.14594	8.0
416.15067	0.8
459.30280	0.3
519.01141	0.3
589.25330	0.6
607.26129	0.9
635.36609	0.7
653.37909	2.0
863.50922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	0.3
65.00309	1.1
69.58290	1.0
69.58718	0.8
71.01390	5.7
72.99299	0.6
73.02966	0.3
74.55417	0.2
81.03467	0.5
83.01402	1.6
85.02946	1.1
89.02456	4.3
93.03452	0.3
95.01403	0.6
99.04501	0.5
101.02460	3.3
107.01411	1.5
107.05073	0.3
108.02254	0.2
109.02991	1.4
113.02476	2.3
117.07124	1.3
119.03518	1.8
119.05029	0.6
121.02973	0.4
123.04518	0.3
124.90215	0.2
125.02470	7.5
126.02782	0.3
131.05045	1.3
133.02957	0.9
133.06589	0.4
134.03751	0.4
135.00887	0.5
135.04440	0.2
137.02498	1.1
137.06108	0.9
143.04997	0.3
143.75168	0.2
149.02460	0.4
149.06139	0.8
150.03137	0.2
151.00409	3.4
151.04012	1.7
151.07660	0.9
153.02016	0.3
155.05074	1.1
155.06197	0.2
157.02975	0.9
161.02454	2.0
161.04813	0.3
161.06064	1.2
163.00343	0.3
163.03972	0.4
165.01918	0.4
167.03542	2.2
168.03889	0.4
171.04535	0.4
173.06107	1.9
174.03175	0.7
175.04042	5.2
176.01112	0.3
176.04417	0.3
177.01918	1.9
177.05591	0.3
178.02931	0.3
178.99948	0.6
179.03600	0.2
187.04037	0.6
189.01985	1.9
190.02710	3.0
191.03369	0.7
191.05557	0.4
193.05084	0.9
195.06648	2.5
197.04634	0.4
197.11923	0.3
198.03146	0.3
199.04024	8.1
200.04367	0.6
201.02000	0.7
202.99846	0.2
203.03429	0.4
205.05070	100.0
206.05402	6.5
209.11832	0.5
215.03442	0.3
217.05084	3.4
218.05505	0.2
219.03185	0.2
222.01773	1.4
223.06139	0.9
227.03479	0.2
231.02934	0.3
233.04510	0.5
242.02298	0.2
243.02988	27.4
244.03374	2.2
253.10829	0.8
255.03000	1.3
257.04636	0.3
259.02524	0.6
260.03061	0.3
261.04041	40.7
262.04340	2.6
271.02509	1.9
275.09283	0.9
284.23010	0.3
285.04031	0.6
289.07108	0.4
293.10312	0.7
294.10779	0.2
300.02737	3.9
301.03510	3.6
302.03845	0.2
303.05096	4.2
356.08777	0.7
375.07214	1.5
385.11423	38.9
386.11777	4.1
387.54733	0.2
395.13708	0.5
397.59015	0.2
407.08490	0.3
413.14572	0.7
415.15613	0.6
417.08282	1.4
418.08505	0.3
428.17258	0.2
435.09372	4.0
436.09427	0.2
447.09384	6.2
448.09818	0.9
467.15378	0.4
477.10446	30.6
478.10889	3.6
575.12268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82199	0.7
61.98843	0.9
62.38042	0.7
63.96232	0.7
68.60053	0.7
69.03454	1.5
70.91370	1.1
70.91716	0.8
71.01389	26.9
72.99303	1.8
73.02946	3.2
75.00885	1.1
80.02689	0.9
81.03471	2.7
83.01391	2.6
83.05033	2.1
85.02962	7.1
87.00893	5.8
89.02457	17.4
93.03494	0.7
95.01418	1.6
95.05019	1.4
97.02957	13.4
99.00905	3.6
101.02449	18.2
107.05061	1.2
109.06602	31.6
110.03732	1.3
110.06905	0.9
111.00916	0.8
111.04561	1.3
113.02457	10.7
119.03503	4.5
119.17891	0.6
121.06580	1.6
125.02457	6.3
131.03510	1.7
133.05156	0.8
135.08186	4.3
136.05339	2.7
141.01959	2.0
142.02731	2.7
143.03517	3.2
159.18863	0.8
161.04605	3.8
161.09721	1.8
163.11304	16.9
164.11630	0.9
179.05609	3.7
179.10782	1.6
181.12390	4.4
189.09256	2.3
207.10274	100.0
208.10587	6.7
209.11841	1.8
217.07428	0.7
221.06648	2.1
225.11322	33.0
226.11664	1.6
235.08250	5.9
236.55376	0.8
243.12325	1.4
246.22153	0.7
253.09267	1.4
255.23288	80.0
256.23618	7.1
267.08759	0.8
279.38220	0.7
281.13956	1.5
287.07785	2.1
291.19720	3.0
299.15149	1.6
305.08820	1.8
310.50549	0.7
323.09879	1.5
379.12473	10.2
397.13519	55.5
398.13641	5.2
415.14514	12.2
416.14935	1.3
473.01688	0.8
522.02814	0.8
581.73651	0.9
587.23792	1.6
605.24615	5.1
606.26312	1.0
623.25598	4.0
635.36847	1.3
653.37201	4.2
843.48022	1.4
861.48828	56.0
862.49152	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	861.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49976	1.4
71.01383	9.5
73.02984	2.0
78.98607	7.9
79.95266	2.7
79.95747	74.0
80.96526	83.5
85.02969	4.0
87.00884	3.3
91.20556	1.6
94.98106	15.0
97.02947	1.6
101.02469	2.1
106.98096	4.3
122.97601	3.6
125.02466	3.3
127.03976	2.6
134.97601	9.1
136.99118	3.5
139.30730	1.6
148.99174	9.6
149.83101	1.6
152.98659	6.6
164.98607	13.1
206.99724	7.1
225.00754	32.1
226.01056	2.5
241.00269	2.4
283.04907	3.3
290.54065	1.8
341.05447	6.2
355.07211	1.8
425.14725	3.5
537.27338	3.5
637.32623	2.4
651.34912	2.1
665.35767	2.4
735.40009	4.3
763.39886	5.4
764.40002	7.8
861.47113	100.0
862.47589	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.9
69.07231	1.0
78.87781	1.0
78.95913	25.3
96.96974	2.2
99.92611	2.3
109.04868	1.2
116.92882	13.7
152.99612	42.4
157.19569	1.2
163.84183	1.2
171.00650	12.2
227.03264	2.5
245.04317	61.0
246.04610	2.3
253.21712	26.1
254.22118	1.5
293.21268	2.0
375.21997	1.3
467.02979	1.3
481.25726	100.0
482.26086	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	859.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02407	1.9
63.48095	0.2
65.00328	3.3
66.19611	0.3
66.81270	0.3
70.59050	0.2
71.01384	3.1
72.99297	0.4
73.02947	0.3
75.00887	0.3
83.01392	2.0
85.02946	1.9
87.00904	0.4
89.27046	0.3
91.01915	0.4
93.03461	1.1
95.01386	0.8
98.19859	0.9
99.00883	0.8
103.00363	0.6
103.38564	0.3
107.01405	7.8
109.02978	3.9
113.02464	1.9
119.01405	0.5
121.02973	6.6
123.00876	0.3
125.02441	0.6
129.01970	0.3
135.00935	0.3
139.04053	0.6
149.02455	1.0
151.00391	29.1
152.00754	1.3
159.04543	0.7
161.02361	0.4
161.06070	0.3
163.00394	4.4
163.04024	0.7
164.00984	0.5
165.01839	0.3
167.05049	0.3
169.01427	1.5
171.04417	0.4
175.02467	1.1
175.03929	0.6
178.99878	14.5
180.00272	0.6
183.04515	0.6
185.06068	0.6
185.35982	0.3
187.04001	0.7
190.99913	0.3
192.00589	0.4
193.01421	0.5
199.04077	0.5
201.05598	1.2
201.07326	0.2
203.03592	0.5
209.45679	0.3
211.04012	1.9
212.04626	0.4
213.01846	0.4
215.03493	0.3
227.03493	1.4
228.04138	0.3
229.05016	1.9
229.61246	0.3
230.02051	0.4
239.03522	0.4
243.02959	0.6
245.04532	3.4
246.04831	0.3
255.02969	5.0
256.03601	0.8
257.04553	0.5
266.02142	0.3
271.02423	1.2
272.03156	0.5
273.04028	3.0
274.03995	0.3
283.02524	2.4
299.02106	0.6
300.02667	0.7
301.03543	100.0
302.03882	9.3
322.06003	0.3
333.38376	0.3
336.70599	0.3
477.06754	78.2
478.07071	9.4
674.40637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01737	0.5
64.52135	0.3
65.03981	0.6
69.03450	0.7
70.67415	1.4
70.67770	0.5
71.01390	15.9
71.05022	0.6
72.99335	0.9
73.02953	15.7
81.03463	2.2
82.07909	0.4
83.05031	5.5
85.02961	5.4
85.82102	0.5
87.00883	1.1
89.02455	21.5
90.02819	0.5
93.03471	46.4
94.03825	2.2
95.01397	0.6
96.96948	0.7
99.00895	6.3
99.04536	5.8
101.02458	8.5
103.74234	0.4
109.02984	1.0
110.23457	0.4
111.04539	19.6
112.04850	0.5
113.02470	6.6
119.03522	6.8
126.74251	0.4
129.01973	2.9
131.03520	1.0
137.01431	0.9
137.02464	14.6
138.02800	0.6
143.03513	5.8
149.04590	0.6
155.03525	9.0
161.04626	2.1
173.04572	86.4
174.04884	4.3
179.03993	0.7
179.05608	6.8
191.05678	1.9
204.26685	0.5
251.78741	0.4
292.26175	0.5
341.10910	100.0
342.11279	7.8
360.88779	0.4
377.08572	0.7
379.08203	0.8
515.16168	36.2
516.16467	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	853.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	4.1
61.98831	1.1
65.03955	0.5
67.01547	0.6
67.01893	9.8
69.03459	2.5
69.59084	3.4
71.01387	4.5
72.99300	0.6
81.03457	3.2
83.05026	2.2
85.02959	1.6
86.18851	0.4
86.67114	0.4
87.00885	14.8
89.02451	0.5
93.03468	76.0
94.03811	2.8
95.01418	0.4
95.05101	0.5
97.02971	0.7
97.06584	1.3
99.00882	1.4
99.04536	1.5
101.02444	0.9
102.05614	2.5
109.02987	2.3
111.04536	10.4
113.02472	1.5
116.92833	0.4
119.03517	0.5
119.05074	0.4
121.02988	1.1
123.04535	1.2
125.02463	3.9
125.06110	0.6
127.05187	0.7
128.03534	1.5
129.01929	2.1
133.02972	5.0
134.03760	25.7
135.04588	7.5
137.02472	5.7
139.04039	1.3
143.03548	0.5
145.06174	2.0
146.04607	6.0
147.04924	0.8
149.02403	0.7
150.03249	0.7
151.00371	0.7
151.04021	1.0
155.03531	3.9
161.02470	1.1
162.03294	0.9
165.01950	0.8
165.05592	0.5
165.09225	4.2
173.04568	30.9
174.04868	1.2
176.03455	0.5
177.01941	7.9
177.09274	0.8
178.02731	25.4
179.03496	6.4
181.05034	0.4
187.07793	0.4
188.66521	0.4
191.05630	6.0
191.07304	0.5
195.06633	0.7
199.13327	0.6
201.11346	1.5
203.51192	0.4
209.08200	18.7
209.11588	2.7
210.08577	1.1
223.79686	0.4
227.12941	2.3
229.14375	0.6
231.10342	2.2
259.02325	0.4
271.02466	0.9
274.15631	0.6
275.09241	9.1
275.16544	0.5
289.07111	0.7
293.10345	0.6
299.01926	1.3
300.02679	0.6
307.11868	13.5
308.12222	1.2
327.92657	0.4
341.06680	0.5
371.13498	3.2
397.13379	0.6
449.14523	9.1
450.14984	1.0
451.10278	0.6
467.15506	3.5
481.17102	100.0
482.17447	13.4
663.48151	0.4
817.38580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02375	0.3
65.00326	2.7
69.03462	0.4
71.01394	1.9
71.72028	0.4
71.72393	0.3
73.02951	0.4
78.37897	0.2
79.34026	0.2
83.01388	1.8
85.02953	0.7
89.02451	1.7
95.01384	0.6
101.02444	1.1
104.39632	0.3
107.01401	4.0
109.02948	0.3
109.06595	0.3
111.30112	0.2
113.02471	1.3
119.03526	0.5
123.04526	0.8
124.01699	0.4
124.25233	0.2
125.02468	3.6
128.77051	0.2
133.02982	0.5
135.04579	0.5
135.11761	0.2
139.11307	6.3
140.11667	0.4
143.03523	0.2
149.02507	0.3
150.03250	1.8
151.00385	14.4
151.04010	2.8
152.01181	2.2
153.01849	0.3
161.04605	0.4
163.11316	2.4
169.01439	0.6
175.04027	0.9
177.01913	0.8
178.99881	2.9
179.05643	0.2
181.12358	26.0
182.12674	1.2
183.10281	16.6
184.10704	1.1
191.05670	0.6
199.04056	0.4
199.13385	3.3
205.12306	0.6
214.02634	0.3
217.05089	0.5
225.11365	5.0
226.70044	0.3
241.05254	0.4
242.02214	3.2
243.12364	100.0
244.10277	0.4
244.12697	6.3
249.11327	0.8
257.04404	0.4
257.13834	0.3
258.01620	0.4
267.12323	0.7
285.04065	7.9
285.13492	1.6
286.04352	0.7
297.09830	0.4
301.03436	0.9
302.04166	0.3
303.05106	3.7
304.05466	0.5
315.14438	0.6
323.07642	0.3
331.04657	0.4
345.15604	2.0
369.15735	0.3
387.16553	0.5
405.08322	5.0
405.17651	54.2
406.08618	0.7
406.18008	5.6
449.10867	10.8
450.11258	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	852.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98536	0.2
69.90845	0.4
71.01387	0.7
73.02958	0.1
78.95970	0.1
78.98625	0.1
79.95743	0.2
80.91688	0.1
80.96516	0.5
83.05033	0.1
85.02993	0.1
87.00903	0.1
87.73392	0.1
89.02464	0.3
94.98135	0.1
96.96038	0.1
98.19928	0.1
99.92577	0.1
101.02467	0.2
109.06580	0.1
113.02437	0.1
116.92871	0.4
123.04565	0.1
125.02485	0.2
151.03986	0.1
161.02394	0.1
163.11229	0.1
164.98643	0.1
171.10333	0.1
173.56424	0.1
179.05641	0.1
183.13918	0.1
183.36823	0.1
191.05640	0.2
194.90311	0.1
201.11313	0.1
207.10345	0.2
209.11839	1.4
209.13748	0.1
210.12201	0.5
211.13394	0.9
212.13707	0.5
215.79729	0.1
225.00647	0.1
225.11360	0.1
227.12943	0.2
228.13274	0.1
235.08286	0.1
259.15454	0.1
323.09958	0.1
327.21985	0.1
397.13446	0.3
398.13971	0.2
415.14944	0.1
465.73602	0.1
608.26904	0.1
610.28638	0.1
852.41351	0.4
853.40442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.7
68.99821	14.4
71.02953	0.3
71.05024	0.4
71.72542	0.5
78.95919	0.5
79.05566	0.3
85.06580	0.3
97.02927	0.4
97.06590	0.6
99.08163	0.8
101.06097	1.2
107.05062	0.5
109.06612	0.8
110.36046	0.3
111.04572	0.5
116.92900	0.4
117.99486	0.3
121.06577	0.4
123.04576	0.7
125.02470	0.6
125.06105	50.3
126.06389	1.8
127.07672	33.0
128.08003	1.3
137.02576	0.4
137.06104	0.5
137.09732	3.7
139.04016	1.3
143.03430	0.4
151.04021	0.8
152.04822	0.9
153.05556	0.7
165.05612	0.9
165.09239	0.5
177.02008	0.5
179.03502	0.9
179.07150	1.0
180.04277	2.0
181.08720	0.9
191.10840	0.5
193.08727	2.6
193.12401	0.3
205.12383	0.8
207.10262	1.7
209.08267	0.5
209.11848	0.7
212.06914	1.0
217.08766	0.3
219.06673	1.3
219.10217	0.5
221.08223	0.9
221.11783	0.8
226.08455	0.9
233.08160	0.6
233.11830	0.7
234.08968	0.6
235.07365	0.6
235.09775	13.0
236.10483	4.4
244.34390	0.3
247.09679	0.9
247.13403	4.8
248.13831	0.6
249.11324	2.9
249.15050	0.5
259.16943	1.5
261.11282	0.4
261.14911	0.9
261.18701	0.5
263.12875	0.9
265.14398	1.9
273.18643	0.3
275.12982	0.4
275.16486	0.8
276.13501	0.5
276.16968	0.5
277.10916	0.6
280.68140	0.3
284.94211	0.4
289.14542	0.5
289.18048	0.8
291.16171	0.5
293.13843	0.5
303.16061	7.2
303.19629	0.9
304.16739	1.9
305.17587	6.4
306.17828	0.6
317.17679	2.2
324.16565	0.3
333.17230	1.5
333.20636	0.5
345.20926	1.9
351.18143	0.9
373.20331	1.1
375.17599	0.6
375.21841	6.5
376.22153	1.0
389.19690	11.6
390.20099	1.2
401.23386	1.4
415.25043	1.1
443.24414	3.6
457.26175	1.1
458.26788	1.4
475.27014	100.0
476.27322	15.7
489.07132	0.4
490.25723	1.2
549.59344	0.4
684.70667	0.4
790.14221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
70.87367	1.0
71.01372	0.3
85.02963	0.4
107.01402	0.7
108.02193	0.9
109.02971	1.4
111.00848	0.6
123.01016	0.3
125.02434	1.0
132.04567	0.5
134.75629	0.3
151.00359	2.6
152.07149	0.6
161.02457	0.5
163.00380	0.5
164.01155	0.4
165.01865	0.4
171.04628	0.4
174.03250	1.8
177.01912	0.5
178.99997	0.5
183.04588	0.6
190.99913	0.5
191.05595	0.5
199.04059	0.5
200.04718	0.6
201.02005	0.6
203.03564	0.5
213.01843	0.4
215.03499	1.6
216.04218	1.3
227.03479	3.3
228.03947	0.4
230.02199	0.5
243.02997	3.7
244.03706	1.5
245.04463	0.8
255.02991	2.5
256.03543	0.5
258.01691	25.5
259.02344	7.2
260.02811	0.5
261.04156	0.5
271.02460	25.8
272.03244	75.6
273.03821	11.5
274.04422	0.5
283.02505	1.2
285.04181	1.6
297.11743	0.4
298.01172	1.3
298.98557	0.6
299.01990	13.1
300.02756	17.7
301.03540	100.0
302.03888	8.0
303.04327	0.4
304.02304	2.1
311.02066	0.4
313.03448	1.9
317.03067	1.4
329.02905	0.7
331.04565	5.1
341.11401	0.7
373.14053	0.8
385.05560	0.7
403.06732	98.6
404.07074	10.5
447.09381	11.2
448.09628	2.1
449.09961	0.6
451.10007	0.5
635.48877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.9
61.98834	1.5
67.61501	0.2
68.99845	0.4
69.03466	1.6
69.88058	0.6
69.88470	1.2
71.01386	79.5
71.05018	0.5
72.01702	1.5
72.99321	1.9
73.02589	0.5
73.02956	5.5
75.00887	0.5
80.02670	1.6
81.03466	3.4
83.01387	2.3
83.05029	7.1
84.02183	1.3
85.02957	6.6
85.03448	0.5
87.00883	5.0
87.04541	0.5
89.02454	16.4
91.04019	0.3
93.03467	1.0
95.01395	1.7
95.05022	2.0
97.02951	4.8
97.06598	1.1
99.00899	2.6
99.04545	0.8
101.02457	14.4
103.00383	0.3
106.04256	0.5
107.05031	0.5
109.02947	1.0
109.06606	8.0
110.03757	0.9
111.00897	0.6
111.04523	1.2
111.08187	0.5
113.02465	8.8
115.04044	0.3
119.03534	4.1
121.02901	0.4
121.06570	0.6
123.04522	0.3
123.08152	0.5
125.02471	6.2
125.03407	0.4
125.06069	1.3
125.09750	2.4
127.11311	2.2
131.03516	0.9
135.08176	2.2
136.05301	0.5
137.02464	0.4
137.09727	0.7
139.04060	0.6
139.07677	1.1
141.01959	1.0
142.02731	0.9
143.03532	2.9
145.05075	0.5
145.10236	0.5
149.04552	0.4
149.09714	0.8
151.00464	0.3
151.04109	0.4
151.11378	0.4
153.09256	0.6
155.03497	0.3
155.10786	2.1
157.12331	0.4
161.04550	2.5
161.09695	0.7
163.11304	11.7
164.11598	0.9
165.09206	1.0
165.12888	2.9
167.03499	0.5
167.10789	0.7
171.10289	26.8
172.10648	1.5
179.05635	4.2
179.10767	1.1
181.12354	3.9
183.10269	0.5
185.04568	0.5
185.11826	2.2
187.09738	0.4
189.09200	1.2
191.05608	1.0
191.10805	1.1
197.11861	1.7
199.06052	0.4
199.09775	1.1
199.13396	0.9
201.11328	18.4
202.11671	1.1
203.05647	0.6
207.10274	21.3
208.10587	1.4
209.11836	100.0
210.12193	6.2
215.12904	2.5
217.07166	0.6
221.06696	2.4
221.11720	0.4
223.13412	0.7
225.11324	33.6
226.11668	2.2
227.12886	11.8
228.13228	0.6
233.11745	0.4
235.08237	4.5
235.13475	0.3
243.12378	4.0
251.12816	1.5
253.09218	1.2
259.08035	0.5
263.07629	0.7
263.12820	0.6
277.09454	0.3
283.02338	0.6
285.03931	1.6
287.07620	1.2
300.38708	0.3
305.08765	1.3
323.09967	0.8
325.06943	0.3
343.08231	9.8
344.08499	0.8
353.42532	0.3
361.11102	0.3
373.23993	0.4
379.12436	3.5
380.12958	0.3
397.13528	28.0
398.13870	2.1
399.21796	1.2
415.14560	8.8
416.14828	0.9
417.22729	2.0
418.23370	0.5
435.24020	0.6
439.14508	1.3
457.15607	0.9
551.23212	0.3
569.24683	0.9
589.24957	0.4
605.24573	2.0
606.24701	0.4
607.26367	1.3
623.25598	4.9
624.25977	0.6
631.26453	0.4
635.30304	0.3
641.26556	0.5
797.36432	1.3
798.36957	0.5
815.37360	3.3
816.37708	1.2
827.20819	0.3
833.38049	5.1
834.38800	2.7
851.39355	3.2
852.39618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.1
61.98832	100.0
62.05857	0.1
62.98539	0.2
62.99262	0.1
69.50829	0.2
69.51259	0.2
70.83981	0.0
71.01391	0.4
76.96167	0.0
78.95935	0.1
79.95739	0.1
80.60922	0.0
80.96527	0.4
83.01417	0.0
83.05065	0.0
85.02983	0.1
87.00922	0.1
89.02455	0.1
94.98132	0.1
96.96071	0.1
96.96956	0.0
98.19809	0.1
99.74420	0.0
101.02462	0.1
109.03014	0.1
113.02475	0.1
116.92878	0.1
125.02502	0.2
128.03520	0.1
137.42862	0.0
143.03568	0.1
151.04024	0.0
163.11298	0.1
164.81531	0.0
164.98679	0.1
171.10352	0.2
179.05695	0.1
191.05679	0.1
197.11838	0.1
201.11378	0.1
207.10324	0.1
209.11852	0.6
210.12265	0.1
211.13440	0.1
225.00826	0.1
225.11398	0.2
227.12978	0.1
269.23135	0.0
342.23615	0.1
397.13828	0.1
448.59863	0.0
452.50092	0.0
850.39514	0.3
851.40399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.98831	100.0
62.98534	0.2
62.99263	0.1
71.01396	0.5
71.72491	0.0
74.40481	0.0
78.95915	0.1
78.98639	0.0
79.95766	0.2
80.96516	0.4
83.01435	0.0
85.02997	0.1
87.00880	0.0
89.02447	0.1
94.98109	0.1
96.96040	0.1
101.02488	0.1
109.02979	0.1
116.92899	0.1
125.02480	0.2
125.06116	0.0
140.84470	0.0
163.11340	0.1
164.98721	0.1
170.45030	0.0
171.10324	0.2
191.05687	0.1
197.11887	0.1
207.10313	0.2
209.11870	0.6
210.12256	0.1
211.13458	0.2
225.00780	0.1
225.11264	0.2
227.12926	0.1
269.45340	0.0
397.13815	0.2
398.14081	0.0
789.60468	0.1
819.40228	0.1
833.38452	0.1
850.40326	0.2
851.40405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98835	100.0
62.05882	0.1
62.98530	0.3
63.99254	0.1
71.01396	1.1
71.72163	0.1
72.99325	0.1
73.02946	0.1
78.95927	0.1
79.95744	0.3
80.96522	0.5
83.05044	0.1
85.02997	0.1
87.00912	0.1
88.98837	0.1
89.02467	0.2
94.98100	0.2
96.96038	0.1
97.02968	0.1
101.02479	0.2
109.06625	0.1
113.02468	0.1
116.92881	0.0
119.03558	0.1
125.02490	0.2
125.09776	0.1
134.97670	0.0
135.08160	0.1
143.03499	0.1
163.11307	0.1
165.12823	0.1
171.10278	0.4
179.05597	0.1
179.10950	0.0
181.12346	0.1
191.05594	0.1
193.46484	0.0
197.11908	0.2
201.11427	0.2
207.10307	0.4
209.11859	1.5
209.13733	0.1
210.12251	0.1
211.13602	0.1
223.09875	0.1
225.00864	0.1
225.11340	0.5
227.12943	0.2
271.02579	0.1
299.02094	0.1
309.20560	0.1
356.08960	0.1
397.13614	0.3
415.14844	0.1
438.30316	0.1
506.98944	0.1
611.32629	0.1
623.25726	0.1
833.38867	0.1
850.40631	0.1
851.39532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98832	100.0
62.05877	0.1
62.98542	0.2
62.99267	0.1
66.35385	0.1
70.56101	0.2
70.56488	0.1
71.01414	0.5
72.01707	0.1
78.95927	0.2
79.95751	0.2
80.91727	0.1
80.96519	0.6
83.05018	0.1
89.02467	0.1
90.71793	0.1
94.98112	0.2
96.96073	0.1
101.02485	0.1
125.02502	0.2
148.64027	0.1
163.11462	0.1
164.98698	0.1
171.10312	0.2
185.58183	0.1
201.11470	0.1
207.10278	0.1
209.11841	0.5
210.12285	0.2
211.13525	0.1
225.00772	0.2
225.11301	0.1
226.11928	0.1
227.12845	0.1
289.18076	0.1
293.21225	0.1
299.02103	0.1
309.20639	0.1
321.26147	0.1
443.36578	0.1
461.94031	0.1
567.30902	0.1
765.34290	0.2
850.34918	0.1
851.42474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98832	100.0
62.98534	0.2
62.99270	0.1
67.35484	0.0
69.52592	0.1
69.53009	0.3
71.01408	0.3
78.95928	0.3
78.98648	0.0
79.95748	0.2
80.96524	0.5
83.05021	0.1
83.26185	0.0
85.03006	0.1
87.00905	0.0
88.98838	0.1
89.02464	0.0
94.98104	0.1
96.96047	0.1
96.96974	0.1
97.02967	0.1
97.08155	0.1
98.20639	0.1
101.02493	0.1
125.02475	0.1
125.09784	0.1
148.99216	0.1
163.11337	0.1
164.98576	0.1
171.10260	0.2
197.11823	0.1
199.13240	0.0
207.10345	0.1
209.11842	0.7
210.12231	0.1
211.13458	0.1
223.09810	0.1
225.00883	0.1
225.11418	0.1
227.12996	0.1
234.04492	0.0
241.14507	0.1
253.09219	0.1
287.16663	0.1
289.07254	0.1
291.19824	0.1
311.22119	0.1
312.22787	0.1
327.22067	0.0
397.13409	0.1
518.89606	0.0
681.28284	0.1
758.42889	0.1
776.43536	0.1
850.38831	0.1
851.39844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	18.3
59.80067	0.5
61.01996	0.4
61.02367	0.3
61.98833	6.6
64.79049	0.3
67.01901	0.6
68.99815	2.2
69.03449	2.7
71.01390	27.4
71.05032	0.6
71.72511	0.4
72.01728	0.3
72.99316	4.2
73.02962	3.4
75.00872	1.1
78.95905	0.5
80.02695	1.2
80.96529	0.4
81.03469	2.9
83.01387	3.3
83.05035	7.6
84.02172	1.8
84.51433	0.4
85.02972	5.0
87.00880	5.2
89.02452	14.7
90.02795	0.5
93.03470	1.4
95.01421	2.0
95.05057	2.2
96.96009	0.5
97.02957	4.7
97.06591	1.5
99.00898	1.8
99.04546	0.6
99.92594	0.4
101.02467	14.2
107.05044	0.9
108.02174	0.7
109.02967	1.0
109.06607	1.6
110.03751	2.2
111.00909	1.2
111.04543	10.6
111.08183	0.8
113.02471	8.0
116.92857	0.6
119.03522	3.7
121.02945	0.6
121.06602	0.5
122.03756	0.9
123.00919	0.9
123.04539	1.4
123.08167	1.5
125.02472	6.6
125.06087	1.1
125.09740	4.1
126.02801	0.5
126.90440	0.5
127.11312	0.7
128.03590	0.5
129.01947	0.8
131.03532	0.7
133.10274	0.4
135.08226	1.9
137.02414	0.5
137.09746	0.8
138.06961	0.4
139.03986	0.5
141.01974	1.1
143.03514	2.0
145.05157	0.4
149.09715	1.1
151.03964	0.6
151.11336	2.8
153.09224	0.9
155.10800	0.9
158.61391	0.4
158.93901	0.5
159.02959	0.9
161.04573	3.0
161.09756	5.0
162.10088	0.4
163.11299	5.4
165.12852	2.4
169.12286	0.5
171.10287	21.5
172.10655	1.2
175.04068	0.4
175.85129	0.4
177.09232	1.7
179.05650	4.0
179.10814	7.6
181.12357	0.9
185.11848	1.4
187.09793	1.3
191.05649	1.5
191.10812	1.3
192.11212	0.4
195.10294	1.4
197.11864	3.6
199.06099	0.6
199.09766	1.0
199.13411	0.5
201.11366	3.7
205.08701	7.5
206.09029	0.6
207.10255	3.0
209.11848	100.0
210.12164	7.1
211.13432	0.5
213.11339	3.3
217.07175	0.5
221.06677	1.7
221.11505	0.4
223.09773	31.4
223.13060	3.6
224.10124	2.7
225.11365	3.6
227.12909	15.0
227.14677	0.2
228.13329	0.9
235.08252	3.9
235.13324	0.5
239.12846	0.7
241.10841	2.9
241.14447	3.6
253.09227	0.7
263.07855	0.6
287.07806	0.8
288.06055	0.4
289.07144	0.8
305.08807	1.1
323.09796	0.9
379.12500	4.4
397.13535	27.4
398.13843	3.1
415.14667	8.1
415.20959	1.1
416.15070	1.1
433.22430	0.5
551.23309	0.8
569.24615	0.8
581.23993	0.5
589.25256	1.2
603.22961	2.4
604.23315	0.7
607.26233	1.8
621.23962	4.0
622.25385	0.7
623.26208	0.6
639.25500	0.5
777.35504	0.7
787.35321	0.5
795.34430	1.8
796.35339	0.7
805.35657	1.0
806.35638	0.7
813.35791	6.7
814.36115	2.2
831.36804	8.7
832.37213	2.6
849.37946	11.3
850.38330	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	849.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.0
61.98835	10.9
67.01885	0.6
68.99815	2.7
69.03463	3.1
71.01390	37.4
71.05032	0.9
71.43384	0.5
71.43704	0.7
72.99316	3.9
73.02954	4.6
75.00890	1.0
78.95933	0.6
79.05561	0.6
80.02694	2.3
80.96570	0.6
81.03471	3.3
83.01418	3.7
83.05041	8.6
84.02182	1.7
85.02960	7.2
87.00890	6.8
88.98854	0.5
89.02457	16.7
89.02998	1.1
93.03474	1.3
95.01408	2.3
95.05045	2.7
97.02958	6.0
97.03468	0.6
97.06622	2.1
98.03690	0.5
99.00886	2.4
99.04560	1.4
101.02458	17.4
103.54833	0.5
105.03513	0.5
107.05064	0.8
109.02973	2.1
109.06615	6.0
110.03766	2.5
111.00938	1.4
111.04539	9.4
111.08186	1.2
113.02471	9.8
115.19418	0.6
119.03531	3.4
121.02979	1.2
121.06626	1.1
122.03772	1.0
123.00940	0.6
123.04548	2.2
123.08188	1.9
125.02462	8.9
125.06105	1.6
125.09746	5.7
127.11377	1.3
131.03554	0.8
135.04521	0.8
135.08202	3.1
137.02486	1.1
137.09749	1.2
137.72581	0.5
139.04031	1.0
141.01920	1.3
143.03531	4.0
149.09615	0.8
151.03999	0.9
151.07671	0.6
151.11334	3.2
153.09279	1.6
153.12813	0.7
155.10864	0.7
160.89337	0.8
161.04599	3.5
161.09738	5.6
163.11313	8.3
164.11606	0.8
165.02026	0.6
165.12868	3.1
167.10791	0.7
169.12415	0.7
171.10303	30.1
172.10629	1.4
175.02541	1.2
177.01923	0.8
177.09271	1.9
179.05624	4.2
179.10805	8.4
180.11130	0.5
181.12405	1.8
185.11847	2.5
187.09859	1.5
191.05638	2.7
191.10812	1.0
195.10257	2.2
197.11842	4.7
199.09760	1.2
201.11356	6.6
205.08731	9.6
206.09079	0.9
207.10277	13.2
208.10605	1.2
209.11858	100.0
210.12186	7.6
211.13335	1.0
213.11353	3.6
215.12828	0.9
217.07115	0.7
221.06657	2.9
221.11855	1.0
221.15395	1.0
223.09776	31.3
223.13370	1.7
224.10164	2.8
225.11333	11.9
225.13515	0.7
226.11781	0.8
227.12901	16.9
228.13156	1.0
235.08229	4.4
236.08406	0.5
239.12952	1.1
241.10869	4.9
241.14670	0.7
243.12343	1.4
251.12959	0.8
263.13171	0.5
265.14383	1.2
267.12503	0.7
287.07809	1.3
289.07294	0.7
305.08847	1.7
323.09857	1.2
341.06668	1.0
379.12454	4.9
397.13556	30.5
398.13806	2.8
415.14651	9.7
415.21075	1.5
416.14688	0.6
433.22235	1.0
451.22446	0.8
462.04532	0.6
551.23511	1.1
569.24615	1.1
589.25122	1.7
603.22687	2.9
605.24573	1.3
607.26324	2.6
621.24286	4.3
622.24390	1.0
623.25824	2.2
711.25031	0.6
759.03241	0.6
777.35736	2.7
785.35400	0.7
795.34790	1.7
805.35004	1.4
813.35657	8.1
814.36176	2.0
821.38391	0.9
831.37012	10.0
832.37311	3.9
849.37952	20.8
850.38556	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	849.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
63.02397	1.9
65.00327	4.0
70.14164	1.7
71.01394	3.3
75.00889	0.7
76.00549	0.3
83.01387	2.8
85.02962	1.9
89.02409	0.6
90.33319	0.4
93.03477	0.7
95.01396	0.6
98.20582	0.5
99.00900	0.6
102.70526	0.4
103.00369	0.5
107.01395	7.9
108.04917	0.4
109.02962	3.9
113.02476	1.7
121.02974	6.8
125.02498	0.5
135.00897	0.7
139.04001	0.7
149.02449	1.1
151.00389	28.6
151.74667	0.4
152.00735	1.2
163.00385	4.2
164.01224	0.4
165.09200	3.4
169.01437	1.4
175.02518	1.4
175.03967	0.8
178.99879	13.3
180.00159	0.8
183.04477	0.9
187.03979	1.0
190.99855	0.7
193.01259	0.5
201.05566	0.9
203.03548	0.6
211.04068	2.8
218.12746	0.4
227.03474	1.8
228.04102	0.6
229.05077	1.5
239.03502	0.6
243.03001	0.6
245.04572	3.5
255.03004	4.8
256.03702	0.7
257.04379	0.5
271.02408	2.7
272.02740	1.1
273.04099	2.6
283.02380	2.7
298.28311	0.4
299.02029	3.3
300.02438	2.5
301.03537	100.0
302.03867	9.1
371.13516	3.9
406.25876	0.5
477.06735	75.4
478.07086	9.3
478.13898	0.5
595.27637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
61.15858	0.5
61.98846	3.4
63.96233	2.3
69.03449	1.0
70.56268	2.2
70.66483	0.5
71.01391	10.4
72.99343	0.5
73.02959	2.3
78.98185	0.8
78.98597	9.3
79.95746	19.1
80.96525	98.2
81.03469	1.0
81.96490	0.8
82.96098	2.0
85.02970	3.7
87.00897	3.9
94.98102	22.0
96.96020	1.4
97.02953	2.4
98.20221	1.0
99.00867	1.1
101.02462	3.3
106.98128	4.2
122.97594	4.9
125.02499	3.3
127.04013	1.2
134.02704	0.6
134.97598	6.9
136.99153	1.8
148.99185	8.0
152.98659	8.0
164.98650	13.4
167.00211	0.8
179.00133	0.7
188.26367	0.6
197.11842	1.0
206.99727	3.5
225.00749	25.9
226.01199	0.9
255.23320	1.6
259.20956	0.6
304.19510	0.6
537.27734	2.5
582.75391	0.6
591.24445	1.9
847.49097	100.0
848.49353	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	847.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.2
61.98831	33.0
69.03490	0.7
69.68327	0.5
71.01387	96.1
71.04508	1.3
71.04919	1.3
72.01691	1.2
72.99307	1.2
73.02951	2.6
75.00877	2.0
76.11985	0.5
78.95904	1.0
80.02680	2.3
80.96546	0.7
81.03452	3.7
83.01405	1.0
83.05045	7.1
84.02189	0.9
85.02965	3.7
87.00891	2.4
88.98808	3.2
89.02450	4.0
93.03481	1.0
95.05035	1.7
96.96021	1.2
97.02958	4.4
97.06631	1.3
99.00906	1.6
101.02475	5.6
105.01901	0.8
107.05084	1.1
109.02965	1.0
109.06609	15.1
110.03720	0.8
111.00887	0.7
111.04516	0.7
111.08095	0.6
113.02477	3.6
119.03580	1.4
119.35925	0.6
121.06641	0.7
123.04568	0.8
123.08179	0.7
125.02463	1.1
125.09731	2.5
127.11308	1.8
129.01900	0.7
133.06642	0.8
135.08209	3.6
136.05353	0.6
137.09766	0.9
139.07687	1.0
142.02682	1.1
143.03612	1.2
145.05084	1.0
151.03984	0.6
155.10789	1.0
161.04562	2.3
161.09717	1.6
163.11290	13.9
164.11681	1.1
165.12807	3.2
171.10289	26.9
172.10686	1.1
179.10822	0.8
181.12331	4.5
185.11928	2.8
189.09225	1.8
191.10753	1.5
197.11839	1.9
199.09769	1.0
199.13403	1.3
201.11368	10.9
207.10275	43.9
208.10567	2.7
209.11841	100.0
210.12202	6.2
211.13303	1.5
215.12883	1.7
220.78915	0.5
223.13351	0.9
225.11319	35.9
226.11827	1.2
227.12871	11.3
228.13115	0.8
231.10266	1.0
235.08173	3.6
243.12306	3.4
247.13315	0.7
249.11266	0.8
251.12967	0.6
253.09273	11.1
263.12640	0.8
265.14444	0.9
289.07101	0.8
295.10114	0.7
299.15240	0.7
299.82004	0.7
373.23898	1.0
377.19656	2.6
378.20035	2.1
379.19644	0.7
389.23044	0.7
399.21832	3.2
407.87378	0.7
417.22665	2.3
443.19363	1.4
461.20303	10.7
462.20370	1.5
469.09326	0.6
479.21619	0.7
545.40216	0.6
635.30591	3.9
653.31830	5.2
654.32068	0.7
671.32935	8.2
672.33923	4.3
689.34021	1.4
702.03564	0.7
847.41199	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	845.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.6
61.14764	0.3
61.98835	0.8
68.01025	0.4
71.01384	4.0
73.02952	1.3
81.03464	1.1
82.15006	0.4
83.01408	1.1
85.02961	1.7
85.04185	0.4
89.84762	0.4
91.27860	0.4
93.03453	0.6
98.19762	0.8
99.04533	50.6
100.04879	1.4
101.02462	14.3
113.02456	2.3
121.02957	0.4
125.02467	25.2
126.02760	0.8
143.03532	2.6
147.04585	0.6
148.05330	100.0
149.05630	4.1
161.04594	3.7
163.07672	99.3
164.07996	5.5
164.86414	0.4
167.97281	0.4
183.24660	0.4
191.05629	0.8
200.04892	0.4
203.05623	1.9
209.08228	0.9
225.07703	0.5
229.52991	0.5
243.08757	1.6
261.48810	0.4
325.12900	1.4
332.39276	0.4
367.14063	6.2
385.12967	0.9
407.17026	1.2
425.18884	0.5
458.87598	0.4
469.17151	31.9
470.17499	4.5
531.23151	0.5
816.42621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.5
61.98833	23.3
69.03454	1.8
69.41447	1.1
71.01392	11.9
71.73547	0.9
73.02953	1.8
78.95900	1.4
80.02660	1.0
83.05025	1.8
85.02949	2.6
87.00877	3.3
88.98796	5.2
89.02462	11.4
95.05024	1.0
97.02955	0.9
97.06606	12.0
101.02466	6.7
103.92184	1.0
113.02451	3.2
116.92899	1.0
119.03523	2.3
121.62282	0.9
123.08179	7.0
125.02473	2.6
125.09741	87.7
126.10094	4.6
143.03539	1.2
143.10789	2.0
161.04451	1.4
163.09729	0.9
169.08647	2.4
171.10236	3.1
179.05615	1.7
187.09770	62.4
188.10152	2.8
191.05692	1.0
207.10263	1.5
209.11818	3.3
221.06673	2.8
235.08232	1.0
238.82018	0.9
266.74316	0.9
277.21707	10.0
306.99719	1.2
377.19720	1.6
392.82196	0.9
431.10794	1.0
463.91153	1.0
543.79449	1.2
556.42639	1.0
567.22662	1.8
585.23920	3.4
750.71106	1.1
827.43427	1.3
845.45770	100.0
846.46063	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	843.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.5
63.02383	0.4
65.00318	0.9
68.33726	0.2
71.05470	0.5
83.01391	0.8
91.73434	0.3
93.03423	0.3
105.03407	0.3
107.01402	2.2
108.02209	0.5
108.84595	0.2
109.02982	1.7
119.01373	0.3
121.02989	2.0
122.03241	0.4
123.40673	0.3
125.02441	0.5
135.00888	0.4
139.04016	0.3
145.45119	0.2
148.01730	0.8
149.02461	1.0
151.00389	9.5
152.00751	0.4
156.27768	0.3
159.04448	0.3
161.02435	0.4
162.99355	0.3
163.00424	2.9
163.03995	1.0
164.01146	0.4
175.04027	0.7
178.98390	0.5
178.99881	5.2
186.06288	0.3
187.03996	0.6
188.04962	0.2
191.03516	0.9
199.03995	0.8
201.05605	0.4
203.03555	0.6
204.04283	9.7
205.04822	1.0
211.03961	1.1
215.03514	0.6
218.05836	0.3
226.02686	0.6
227.03543	1.7
229.05078	1.0
233.08113	0.4
239.03494	0.5
243.02986	5.5
244.03485	0.7
245.04469	1.3
247.09746	14.3
248.10037	1.1
254.02188	1.1
255.02979	14.3
256.03351	1.0
257.08182	0.8
261.03918	1.7
271.02469	27.1
272.02881	3.4
273.04004	1.1
275.09244	28.2
276.09579	2.4
283.02518	1.2
287.09299	0.7
289.07028	0.3
299.02026	0.7
300.02759	55.2
301.03506	43.2
301.07169	0.5
302.03854	3.1
305.10291	1.2
393.42593	0.3
395.13477	33.1
396.13876	4.2
447.09335	100.0
448.09665	13.5
477.10645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.4
61.32867	0.4
61.98835	0.7
71.01390	3.9
71.48784	0.9
73.02959	1.1
79.01846	0.3
81.03456	0.8
83.01392	1.2
85.02942	1.7
87.00890	0.3
93.03475	0.9
95.01411	0.3
95.05064	0.3
97.02977	0.6
99.00899	0.5
99.04533	51.5
100.04862	1.0
101.02459	15.0
102.02806	0.3
107.01403	0.3
111.04588	0.3
113.02473	1.5
121.02991	0.5
122.03761	0.4
123.04609	0.3
125.02464	28.3
126.02779	0.8
137.02455	1.2
139.04070	1.7
143.03523	3.1
147.04565	0.7
148.05327	98.3
149.02446	0.5
149.05637	5.3
150.03235	1.0
151.04004	1.0
159.03030	0.7
161.04585	3.1
163.07669	100.0
164.08012	5.4
165.01959	1.5
165.05634	0.9
165.09250	2.9
180.04233	1.0
191.05608	0.5
195.06676	0.8
201.11267	0.3
203.05591	1.8
205.08543	0.4
209.08208	12.0
210.08600	0.7
225.07767	1.0
243.08783	1.9
280.96304	0.3
289.07263	1.0
325.12955	1.4
347.13757	0.3
359.07803	0.7
367.13956	5.5
368.14371	0.5
371.13495	1.4
389.16190	0.4
405.21149	0.6
407.17331	0.9
408.17224	0.4
469.17160	33.2
470.17612	4.5
582.36792	0.3
737.69849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.6
63.02384	0.6
65.00333	0.8
70.19545	0.9
70.19949	1.6
78.73738	0.5
107.01408	2.2
109.03003	1.1
121.02975	2.2
122.03642	0.6
149.02475	0.9
151.00366	8.7
163.00426	2.8
178.99850	4.6
199.04048	0.8
217.05026	1.9
218.05872	4.1
227.03494	1.6
243.02997	4.0
245.04468	0.8
247.09737	9.9
248.10146	0.9
254.02219	0.8
255.02972	11.5
256.03326	1.0
257.08206	0.8
261.03931	1.0
271.02457	21.4
272.02905	2.3
273.04166	1.0
275.09241	20.6
276.09464	1.5
283.02277	0.6
300.02756	54.1
301.03503	40.9
302.03946	2.4
395.13467	22.8
396.13840	1.7
447.09332	100.0
448.09656	11.3
745.01648	0.6
760.71997	0.6
787.77356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92491	0.2
59.01385	0.4
71.01389	0.7
75.00883	0.3
77.77802	0.2
93.03463	0.6
109.02946	0.2
117.80640	0.2
125.02435	0.4
135.00893	0.3
157.06595	0.3
161.02472	0.3
169.06586	0.3
175.04007	0.7
177.01942	0.3
181.12358	0.6
183.03105	0.2
185.06058	0.7
190.99173	0.2
191.05653	0.3
198.03207	0.6
199.04044	0.9
199.13383	0.5
201.02014	0.3
211.04025	1.0
212.04794	0.3
213.05576	6.7
214.02711	0.3
214.05893	0.5
225.05594	0.5
227.03568	1.0
228.04288	1.5
229.04994	0.4
241.05054	0.5
242.02098	0.4
243.03001	4.0
243.12384	1.3
244.03185	0.3
246.33308	0.2
253.05084	0.6
255.02953	6.1
256.03732	3.7
257.04547	32.3
258.04849	2.0
261.04044	0.6
267.02985	1.3
269.04559	4.5
270.04834	0.3
282.01706	0.5
283.02527	0.7
285.04044	70.7
286.04385	6.6
286.07578	0.3
288.02740	3.9
288.05899	0.2
289.03183	0.2
289.06879	0.2
297.04034	5.7
298.04474	0.7
299.05487	0.3
311.05811	0.4
315.05084	20.5
316.05429	2.1
327.05148	1.7
329.06909	0.2
339.05264	0.3
357.06274	0.6
387.07306	0.5
391.06796	0.4
405.08273	100.0
406.08618	11.7
435.08957	0.3
445.17072	0.3
554.12994	0.2
730.87640	0.3
745.31927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
60.30544	0.1
65.00308	0.3
71.71777	0.2
95.01399	0.3
107.01392	0.9
108.02201	0.2
109.02955	0.5
121.02964	0.3
123.00896	1.0
123.04536	0.3
125.02451	1.5
131.05048	0.2
133.03008	0.1
135.00923	0.3
140.93031	0.1
143.05013	0.2
145.03032	0.2
145.06618	0.2
149.02460	1.7
149.99600	0.3
150.03232	0.2
151.00398	2.2
151.04008	0.2
152.01196	0.2
157.06586	0.4
158.03705	0.6
159.04500	0.7
161.02434	0.4
161.06143	0.2
163.00371	0.2
169.01491	0.8
170.03777	0.2
171.04539	0.2
173.06137	0.4
175.00394	0.4
175.03966	0.2
177.01938	0.2
178.99861	0.4
183.04547	0.3
185.06091	0.5
186.03264	0.2
187.03993	0.7
190.02615	0.1
191.03619	0.2
191.05643	0.6
199.03998	0.6
201.05573	0.6
203.03548	0.3
205.05035	0.5
211.04019	0.5
214.02675	0.5
215.03508	0.9
217.05019	0.3
225.01955	0.3
226.02550	0.1
227.03549	1.1
228.04189	0.2
229.05035	1.4
230.02162	0.2
230.05441	0.2
231.03046	0.4
233.04593	0.6
241.05013	0.3
243.02946	1.5
244.03606	0.2
253.01375	0.6
255.02975	0.5
257.04572	0.2
258.01685	6.7
259.02405	3.5
260.02789	0.3
271.02469	20.6
272.03101	4.6
273.04022	30.4
274.04385	2.1
283.02505	0.8
284.03085	0.2
285.04047	9.4
286.04486	0.7
293.04489	0.3
297.04092	0.2
298.01172	0.5
299.01953	0.9
299.05472	0.3
301.03540	100.0
302.03897	8.3
303.05072	0.5
304.02231	0.4
309.04059	0.3
313.03552	3.0
314.04214	0.4
315.05170	0.5
319.69073	0.1
325.03439	0.2
327.05133	0.3
331.04593	18.7
332.05026	1.7
337.03549	2.1
338.03781	0.2
343.04605	1.0
355.04633	2.7
356.05215	0.2
373.05679	1.8
391.06720	63.3
392.07047	6.9
402.38388	0.1
414.10156	0.1
449.10907	0.6
468.29279	0.2
583.85132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
63.02397	1.0
64.15964	0.3
65.00330	18.1
66.00671	0.3
66.66029	0.4
68.63745	0.3
68.99796	0.4
69.65112	0.5
69.65525	2.0
71.01358	0.5
71.12545	0.3
75.00867	0.5
76.05070	0.3
81.03448	0.4
83.01390	7.7
83.01868	0.5
84.04032	0.3
84.86370	0.3
86.46751	0.3
87.00884	0.9
93.03513	0.5
95.01400	0.6
95.05047	0.4
107.01405	24.8
108.01710	0.7
108.99325	0.4
109.02957	1.1
112.49213	0.4
115.62795	0.3
121.03043	0.7
122.03749	0.4
123.00916	0.5
123.04546	7.6
124.01679	2.2
125.02468	26.5
126.02831	1.4
126.45178	0.3
133.02960	2.4
135.04518	1.9
137.02449	0.5
141.01945	0.4
147.04538	0.5
149.02472	2.5
150.03256	13.7
151.00394	100.0
151.04013	19.1
152.01190	15.1
152.04413	0.7
153.02003	2.3
161.02455	0.4
169.01436	2.4
173.06026	0.5
174.03227	0.8
175.04019	4.1
176.01131	1.3
177.01959	5.7
178.99873	22.1
180.00323	1.2
181.01454	1.0
185.06084	0.8
187.04112	0.6
187.07727	0.8
188.04802	0.6
189.05542	1.3
191.05626	7.2
197.05977	0.6
199.04012	3.3
201.01962	0.7
213.05582	0.9
215.03481	0.7
216.04243	0.5
217.05025	3.0
222.81267	0.3
241.05035	3.3
243.03001	0.9
255.03061	0.5
257.04407	1.7
257.08231	0.7
259.02609	0.4
259.06161	1.3
267.02988	0.6
271.02475	0.4
273.04190	0.6
275.05569	1.4
284.03207	0.4
285.04053	59.5
286.04422	5.2
297.09885	3.2
301.03506	1.4
302.04398	1.9
303.05112	36.9
304.05411	3.1
323.07730	2.9
389.05084	1.2
391.06967	0.5
431.09842	1.1
447.09268	0.6
447.18597	1.0
449.10870	93.8
450.11246	13.1
450.16217	0.3
676.72485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
59.25152	0.1
63.02395	0.4
65.00320	1.6
65.03944	0.1
68.99805	0.3
69.55461	0.5
69.55888	0.5
71.01380	0.2
73.02924	0.1
78.88285	0.1
81.03461	0.2
83.01387	1.6
85.50739	0.1
89.03976	0.2
95.01378	0.1
105.07049	0.1
107.01398	2.1
107.05033	0.5
109.02972	1.2
117.03387	0.1
117.61643	0.1
123.04550	0.3
124.17793	0.1
125.02457	2.7
126.02776	0.2
127.05511	0.2
130.04240	0.2
131.05048	2.4
133.02966	1.4
135.00873	0.4
135.04645	0.2
137.02463	0.2
143.05026	0.3
145.02875	0.2
145.06641	0.3
147.04555	0.5
149.02429	0.3
149.06094	1.0
151.00386	4.9
151.02864	0.2
151.04030	3.0
153.01993	0.6
155.05043	2.0
157.02937	1.2
161.02452	0.3
161.06076	0.2
163.04036	0.2
165.01904	0.1
165.09235	0.5
166.09541	0.2
171.04509	0.5
173.06096	4.2
174.03302	0.8
174.06479	0.2
175.04024	10.1
176.04375	0.6
177.00459	0.2
177.01942	3.2
178.02188	0.2
179.03506	0.2
187.03979	0.3
189.01880	0.1
189.05612	0.6
189.17461	0.1
191.03604	1.2
191.05350	0.9
193.05070	1.8
198.03227	0.3
199.04018	12.8
200.04373	0.7
201.01888	1.3
202.02477	0.1
202.99852	0.3
203.03430	0.1
205.05034	0.1
207.03062	0.1
215.03484	0.5
215.20389	0.1
217.05067	5.3
218.05373	0.4
219.02982	0.7
231.02956	0.4
232.03595	0.2
233.04561	0.8
243.02979	41.7
244.03314	2.6
257.04678	0.1
259.02509	0.7
261.04028	100.0
262.04370	6.7
265.13849	0.1
285.04028	0.3
303.05139	0.4
326.32315	0.1
327.05286	0.1
371.13412	0.4
372.13455	0.1
375.07236	3.4
376.07590	0.3
435.09329	38.5
436.09656	4.3
543.20862	0.2
712.21478	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	837.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	3.3
67.85873	0.3
68.99821	10.4
69.87945	1.4
69.88377	0.8
71.05011	0.3
71.93804	0.3
78.95892	0.8
79.05538	0.8
81.03461	0.4
83.05041	0.3
87.04530	0.5
96.96030	1.0
97.06593	1.2
99.08169	1.0
99.32061	0.3
101.06104	1.9
107.05056	1.0
109.02964	0.7
109.06611	0.7
111.00903	0.4
111.04543	1.2
115.07748	0.4
121.06622	0.7
123.04578	1.6
123.08191	0.3
125.06108	47.1
126.06413	1.6
127.07675	13.9
128.07964	0.5
137.06151	0.6
137.09740	2.8
139.04044	1.6
151.04010	0.6
153.05624	0.7
153.09207	0.4
165.05644	1.9
175.11311	0.9
177.09247	2.0
179.07173	1.4
189.09264	0.4
191.10812	0.7
193.08707	2.9
195.10309	1.0
196.07433	0.9
201.11354	0.5
205.12343	0.9
207.06693	0.6
207.10286	0.6
209.08267	0.7
209.11916	0.5
217.08708	0.5
219.06735	0.4
219.10245	4.2
219.13785	0.4
220.10759	0.5
221.08214	1.2
221.11761	0.3
221.15439	0.5
223.09872	0.6
226.08501	1.1
233.08301	0.6
235.09766	7.4
236.10504	2.0
237.11293	1.3
245.15485	0.5
247.09743	0.8
247.13449	0.4
249.11278	0.9
253.10887	0.7
259.16922	1.9
261.11322	1.3
261.14941	1.0
263.12943	0.7
265.14441	3.7
266.14627	0.4
275.12982	0.9
275.16510	1.2
289.14481	3.8
289.17856	0.7
289.21805	1.0
290.15002	0.6
291.12421	1.7
293.13998	1.5
301.18011	0.6
303.12759	0.3
303.16000	9.3
303.19434	0.8
304.16714	1.4
305.14188	0.5
305.17624	1.3
309.20529	0.4
317.17563	0.9
331.15479	0.7
345.17111	6.5
345.20795	1.5
346.17453	1.2
346.21265	0.5
347.22299	0.5
348.74561	0.4
349.16489	0.6
351.18286	1.0
357.24298	1.7
359.18698	0.8
361.20190	7.2
362.20602	0.9
373.19931	0.4
387.21411	0.5
389.19739	8.7
390.20074	1.3
401.23370	14.4
402.23660	2.3
415.25027	1.0
443.24316	3.0
457.25958	1.0
458.27008	0.4
475.27032	100.0
476.27356	16.7
490.25769	1.5
864.16699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98826	4.5
62.55063	0.3
64.96109	0.3
69.03448	1.1
69.94178	2.1
71.01383	5.0
73.02955	1.0
74.79922	0.3
78.91926	0.4
78.95919	1.0
79.03453	0.3
83.01402	0.7
83.05044	0.8
85.02977	1.3
87.00896	0.9
89.02446	4.1
93.07116	0.8
94.98105	0.4
95.01421	0.4
96.96008	0.4
96.96982	0.5
97.06614	0.4
101.02458	4.0
109.06579	0.5
111.08171	12.8
112.08505	0.6
113.02449	2.4
119.03575	0.7
123.18896	0.3
127.07673	1.4
141.09236	0.5
143.03511	0.4
151.11252	0.6
152.99641	0.6
153.09169	0.6
153.12904	1.5
161.04568	2.2
163.11302	0.3
165.12944	0.4
167.10701	0.6
169.12358	6.2
171.10381	0.6
177.12752	0.3
179.05635	0.7
179.10759	0.5
181.12323	1.8
183.13907	1.1
185.02911	0.3
193.12366	0.9
197.11842	69.6
198.12170	4.1
199.13406	4.1
209.11742	1.0
211.13411	10.6
212.13771	0.9
219.86427	0.4
223.13383	0.3
227.12888	2.0
235.08272	2.1
249.15018	0.6
253.09290	24.0
254.09647	1.4
263.20117	4.1
264.20401	0.5
265.18021	1.6
273.18613	1.4
291.19644	21.7
292.19986	2.8
293.21143	0.4
309.20712	100.0
310.21066	10.0
433.20712	0.8
462.14783	0.3
527.28778	1.0
545.29767	2.8
546.30219	0.4
601.41229	1.9
652.08038	0.4
691.38434	0.9
870.75757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01095	0.9
59.01381	15.4
69.03455	1.6
71.01385	7.4
71.05044	0.5
72.99313	20.7
73.99661	0.4
75.00880	26.0
79.57076	0.4
81.03443	0.6
83.01380	0.7
83.05026	4.9
85.02968	2.8
87.00883	0.5
87.04530	1.6
89.02450	4.4
93.03445	1.1
95.01361	0.6
95.05058	0.9
96.95999	1.1
97.02921	0.7
99.00900	1.3
101.02457	3.4
103.00367	1.0
106.73012	0.4
107.05047	3.7
107.08700	0.8
109.02975	1.5
109.06628	0.9
113.02451	1.7
117.01957	0.6
119.03515	1.6
119.05042	0.5
120.05825	0.6
121.06587	0.6
121.10284	0.5
123.04533	0.5
123.08157	1.0
124.34508	0.4
125.02457	4.7
126.02775	0.4
133.06622	3.3
135.04527	0.7
137.02428	1.4
139.04054	2.0
149.02498	0.6
149.06110	1.5
151.00346	1.1
151.04021	0.6
153.01949	1.6
157.05038	1.3
157.51646	0.4
159.08171	0.7
161.02400	0.6
161.09746	4.1
163.11281	1.1
165.01970	2.4
165.09224	12.4
166.09589	0.9
169.15582	0.4
175.07661	0.5
175.11290	2.1
177.01932	0.6
177.09265	0.6
177.12810	1.2
183.02975	2.9
185.09738	0.8
189.09186	3.5
191.05598	3.4
191.07179	1.3
193.12378	0.7
198.27071	0.4
203.10809	0.9
207.10292	2.2
209.08218	1.2
215.03586	0.4
217.05090	0.5
221.11823	3.5
222.06624	0.4
237.11121	0.6
239.12883	35.7
240.13185	2.8
258.01691	5.0
259.02444	5.5
259.05365	0.5
259.06308	0.5
260.02853	0.6
265.10803	13.2
266.11154	0.5
271.02469	2.1
272.03244	1.6
272.08154	0.4
273.03983	1.3
274.04800	0.6
281.14182	0.6
283.11865	51.4
284.12222	3.3
285.04105	1.6
301.03546	11.1
302.03833	1.3
310.78482	0.4
313.03543	0.9
319.04733	2.1
325.12952	1.4
331.04565	7.0
332.04904	0.6
355.14130	0.7
371.13522	9.7
372.13895	1.3
385.15103	0.8
391.06674	14.3
392.07013	1.5
401.13419	0.3
401.18140	8.8
401.70316	0.5
402.18491	1.3
413.14877	0.6
429.56107	0.4
445.17148	100.0
446.17477	11.5
449.14874	0.8
465.10318	6.3
466.10748	0.6
514.61853	0.4
541.22449	0.4
725.18652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
65.48798	0.2
69.03429	0.2
69.64526	1.7
71.01376	0.8
72.99313	2.1
75.00884	2.8
79.25538	0.2
82.38103	0.2
82.38741	0.2
83.05029	0.8
85.02931	0.4
88.98820	0.3
89.02459	0.7
93.03445	0.3
95.01386	0.2
96.96015	0.4
101.02450	0.5
103.75649	0.2
107.05045	0.6
109.02973	0.7
109.58727	0.2
113.02469	0.4
115.78833	0.2
121.02977	0.2
123.00912	0.3
123.04564	1.0
125.02446	1.4
133.06560	0.4
135.04570	0.2
137.02481	0.2
146.59738	0.2
149.02397	0.3
149.06067	0.2
151.00352	1.3
151.04048	0.2
161.02425	0.8
161.09705	0.5
163.00357	0.3
174.03191	0.2
175.04057	0.4
175.11275	0.4
177.01891	0.3
179.03540	0.4
183.03082	0.3
185.06114	0.2
187.04065	0.5
191.05611	1.0
193.08710	1.1
199.03990	0.3
203.10666	0.3
207.10301	0.3
211.71985	0.2
215.03439	0.6
221.11845	0.5
227.03487	0.7
230.02287	0.3
239.12866	3.6
240.13205	0.4
243.02994	1.0
244.03804	0.3
245.04591	0.3
255.02870	0.4
256.03735	0.3
257.04483	0.3
258.01675	26.0
259.02432	18.3
259.04614	0.2
260.02951	1.5
261.04077	0.4
265.10779	2.1
271.02454	11.2
272.03201	8.2
273.04001	6.7
274.04385	0.6
279.12692	0.2
283.02612	0.4
283.11877	6.5
284.12161	0.4
285.04077	3.4
286.04468	0.3
298.01178	0.8
299.01932	0.5
301.03537	57.1
302.03851	4.8
304.02136	1.4
313.03494	4.7
314.03888	0.5
331.04593	38.6
332.04974	3.5
343.04718	0.5
355.04581	0.8
373.05472	0.7
391.06711	100.0
392.06998	10.5
399.12964	0.9
400.13242	0.8
401.13370	0.8
435.09329	0.4
445.17169	15.1
446.17471	1.8
688.44287	0.2
793.38275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61647	0.1
61.98831	100.0
62.98545	0.1
80.96568	0.1
112.84967	0.1
113.54352	0.1
145.56108	0.1
182.52078	0.1
277.21790	0.1
278.22122	0.1
301.20920	0.1
575.30347	0.1
642.02313	0.1
791.84900	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	837.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
59.85226	0.3
61.98827	1.4
65.00317	0.4
65.20467	0.3
67.01897	0.6
67.20406	0.3
71.01163	0.6
81.03464	0.6
83.01389	0.8
85.02966	0.5
88.98812	1.4
89.02431	0.5
89.04002	0.7
93.03474	1.7
94.03802	0.4
94.80522	0.3
95.05045	1.2
101.02449	0.5
105.03447	0.5
108.02190	0.6
109.02976	20.5
110.03303	1.0
117.03466	0.7
119.05033	1.1
121.02969	1.4
122.03791	0.4
123.04549	10.5
124.04852	0.6
125.02472	3.1
133.02975	3.9
134.03781	1.7
135.00938	0.6
135.04546	0.8
137.02475	3.0
139.67387	0.3
145.02963	1.1
145.06180	0.4
147.04547	2.9
149.02480	0.7
150.03258	1.4
151.04047	6.0
159.04546	1.2
161.02451	5.9
161.06093	0.3
162.03151	1.0
163.03967	1.0
164.01146	0.7
165.01906	1.4
165.05605	0.6
167.03528	0.8
173.02423	0.3
173.04561	0.3
174.03273	0.5
175.03995	0.6
175.07651	0.3
176.01198	0.6
177.01947	22.4
178.02313	1.3
179.03600	0.4
187.04047	1.3
188.04623	0.5
189.01952	44.5
190.02679	9.9
191.03522	10.6
191.05551	1.7
191.07076	0.4
192.04004	0.7
192.05885	0.5
195.06773	0.4
201.01956	0.7
203.03516	5.4
203.07153	0.6
209.08258	0.4
216.00650	7.3
217.01425	35.7
218.01913	3.5
219.02989	13.8
220.03241	0.8
229.08696	0.7
231.03003	12.1
231.10216	0.9
232.03513	1.4
233.04520	1.0
242.16858	0.3
243.03041	0.4
251.09311	0.5
271.02499	0.4
275.09259	2.8
276.09668	1.8
277.09900	0.4
281.04544	1.0
289.07178	2.1
297.07666	0.6
298.37674	0.3
299.05603	0.5
301.03476	0.3
323.05609	1.9
324.05991	0.4
341.06680	84.3
342.07016	8.1
367.11929	1.3
371.13370	0.4
385.12790	1.6
386.13321	0.5
449.08896	0.6
449.14359	1.7
450.09097	0.5
450.14865	1.1
451.10333	100.0
452.10648	15.4
534.87030	0.3
595.15210	0.4
732.11493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98832	100.0
62.98529	0.2
70.47702	0.2
70.48057	0.0
71.01404	0.6
79.95754	0.1
80.96542	0.2
83.05002	0.1
85.02977	0.1
87.00897	0.0
88.98869	0.1
89.02467	0.1
89.98733	0.1
96.96031	0.1
97.02975	0.1
101.02470	0.2
113.02463	0.1
114.93452	0.1
116.92897	0.2
125.02506	0.1
137.02480	0.0
139.00395	0.1
161.04576	0.1
163.11421	0.1
171.10307	0.1
172.10620	0.1
183.13828	0.1
186.64171	0.0
191.05627	0.1
197.11815	0.1
199.13396	0.1
201.11412	0.1
207.10324	0.1
208.10587	0.1
209.11874	0.6
210.12238	0.2
211.13467	0.2
225.11357	0.1
226.11871	0.1
227.12959	0.2
228.13213	0.1
284.23819	0.1
347.18652	0.1
397.13644	0.1
415.14569	0.1
575.68530	0.1
818.40222	0.1
836.40363	0.3
837.40912	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.6
59.01382	9.1
60.01710	0.1
61.98814	0.2
67.01885	0.2
68.99806	0.2
69.03465	0.5
69.87873	0.4
69.88306	0.3
71.01385	8.5
71.05019	0.2
72.99316	0.6
73.02956	1.3
75.00872	0.2
80.02683	1.5
81.03027	0.2
81.03463	1.6
83.01393	1.1
83.05029	5.7
84.02173	1.0
84.05394	0.2
85.02958	1.8
87.00889	2.2
87.04484	0.1
89.02453	7.3
93.03470	1.8
95.01421	0.7
95.05046	0.9
96.96011	0.3
97.02972	1.2
97.06577	0.2
99.00915	0.5
99.04533	0.2
101.02454	5.8
103.00393	0.1
107.05002	0.2
107.07214	0.1
109.02969	0.4
109.06618	0.2
111.00905	0.2
111.04510	0.4
111.08165	0.2
113.02469	3.7
119.03526	1.7
119.04327	0.2
121.03002	0.1
123.04623	0.1
123.08177	0.2
124.01697	0.1
125.02457	2.9
125.06061	0.6
125.09703	0.2
127.04047	0.1
128.71434	0.1
131.03508	0.3
133.05099	0.2
133.57648	0.1
134.03770	0.1
135.04602	0.1
135.08200	0.9
137.02463	0.3
139.04034	0.4
141.01952	0.2
143.03535	1.3
145.05135	0.1
147.11835	0.1
149.04520	0.1
155.03584	0.2
161.02527	0.2
161.04585	1.5
163.11304	4.4
164.11559	0.2
165.12857	2.5
166.13158	0.2
167.03525	0.2
171.10281	0.5
173.04512	0.6
177.01944	0.3
179.03447	0.2
179.05608	2.2
181.12373	0.8
183.13939	0.1
185.04588	0.1
189.02016	0.1
190.34012	0.1
191.05595	0.5
191.10814	1.1
192.52243	0.1
199.06137	0.3
199.13452	0.3
207.10306	0.2
209.11835	100.0
210.12161	6.1
211.13452	0.1
217.07114	0.4
220.18660	0.1
221.06708	0.8
221.11769	0.2
223.09760	0.5
223.13371	0.2
225.11327	0.2
227.12886	15.8
228.13206	1.0
229.14508	0.2
233.11974	0.1
235.08199	2.6
247.13354	0.7
251.12857	0.4
253.09184	0.3
259.08224	0.2
263.07773	0.3
265.14325	0.2
287.07626	0.8
289.07202	0.3
292.42084	0.1
305.08969	0.9
323.09885	0.6
336.71054	0.1
379.12460	2.8
380.12518	0.1
397.13510	20.4
398.13849	1.7
401.23459	0.1
413.06494	0.1
415.14545	5.6
416.14871	0.5
419.24304	0.2
449.14505	1.8
450.14905	0.3
451.10318	0.1
587.12659	0.1
589.25085	0.5
607.25854	1.4
625.27234	0.1
684.19067	0.1
773.37170	0.1
799.37738	0.7
800.38440	0.2
817.38464	0.3
818.39630	0.2
828.09076	0.1
835.39673	0.3
836.39832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00352	0.1
58.00585	0.4
59.01383	8.9
60.01697	0.1
64.38243	0.1
67.01891	0.1
68.99811	0.1
69.03458	0.5
69.85054	0.5
71.01389	8.1
71.05027	0.2
72.01753	0.1
72.05563	0.1
72.99325	0.6
73.02544	0.1
73.02953	1.2
75.00882	0.2
80.02686	1.2
81.03471	1.7
81.03948	0.1
83.01395	1.0
83.05036	5.4
84.01712	0.1
84.02180	0.9
84.05363	0.1
85.02451	0.1
85.02959	1.9
87.00891	1.9
87.04541	0.1
89.02457	7.5
90.02778	0.1
91.04038	0.1
93.03477	0.3
94.38099	0.1
95.01414	0.6
95.05046	0.9
97.02966	1.1
97.06599	0.2
98.03371	0.1
99.00860	0.5
99.04523	0.2
101.02458	6.3
102.02784	0.1
109.02958	0.3
109.06604	0.3
111.00928	0.2
111.04512	0.3
111.08179	0.1
113.02472	3.4
115.04027	0.1
119.03524	1.8
119.24836	0.1
121.03020	0.1
123.00829	0.1
123.04549	0.1
123.08159	0.1
124.01666	0.1
125.02464	2.8
125.06091	0.5
125.09727	0.3
126.02831	0.1
127.04044	0.1
127.11335	0.1
131.03516	0.4
133.05103	0.1
135.08186	0.8
137.02475	0.1
139.04033	0.2
139.07640	0.1
141.01962	0.3
143.03535	1.3
145.05057	0.2
145.06131	0.1
145.10197	0.1
147.11801	0.3
149.04601	0.3
149.09706	0.1
151.04021	0.1
153.12778	0.1
155.14299	0.1
161.04597	1.5
163.11313	4.2
164.11620	0.3
165.12857	2.6
166.13231	0.1
167.03497	0.2
171.10281	0.7
173.09773	0.1
177.01938	0.1
179.05629	2.2
181.12396	0.6
183.13939	0.1
185.04573	0.2
185.11887	0.1
191.05638	0.2
191.10829	1.0
192.11111	0.1
199.06125	0.3
199.13393	0.4
207.10287	0.1
209.11845	100.0
210.12172	6.3
210.15147	0.1
211.13356	0.1
217.07130	0.3
221.06662	0.8
221.11809	0.1
221.95697	0.1
223.13361	0.2
225.11349	0.2
227.12898	15.8
228.13208	1.0
229.14372	0.2
233.11847	0.1
235.08217	2.6
239.12825	0.1
245.06570	0.1
247.13390	0.6
251.12889	0.5
252.13165	0.1
253.09283	0.5
259.08212	0.2
263.07648	0.3
265.14444	0.3
277.09485	0.1
287.07700	0.8
289.07233	0.2
305.08813	1.0
323.09869	0.5
361.11389	0.1
375.25858	0.1
379.12485	2.9
380.12708	0.2
397.13535	19.2
398.13876	1.8
401.23260	0.2
415.14590	5.3
416.15076	0.4
419.24448	0.2
443.07877	0.1
589.24945	0.4
607.26105	1.4
608.26404	0.3
627.25934	0.1
773.36322	0.2
791.36987	0.1
799.37903	0.8
800.38208	0.1
817.37799	0.3
835.39746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
65.00311	0.2
70.26917	0.2
70.85332	0.7
71.01388	1.8
73.02966	0.5
79.05554	1.4
81.03467	7.8
83.01387	0.4
85.02971	0.7
86.19118	0.2
87.79446	0.2
89.02447	0.9
90.63159	0.2
93.03487	0.5
93.07169	0.2
95.01402	0.3
95.02155	0.2
101.02454	0.9
105.03469	0.3
109.02981	0.6
109.06635	0.3
111.04576	0.2
113.02496	0.5
119.03509	0.3
122.03765	0.9
123.04543	58.4
124.04873	2.3
124.05750	0.3
125.02427	0.6
125.09750	2.3
135.04604	0.5
136.05295	0.2
137.02431	0.3
137.06134	0.2
149.02484	1.1
149.09731	3.4
150.10109	0.2
151.04007	0.3
151.07654	1.4
159.08282	0.2
160.05296	0.4
160.09038	0.9
161.04555	0.5
165.09224	0.3
166.40034	0.3
167.03539	0.2
173.09789	0.3
175.07602	0.4
175.11316	2.1
191.05647	3.6
193.08717	93.2
194.09047	5.9
199.03986	0.4
204.04189	0.2
217.08733	0.6
219.06659	5.5
219.10133	1.5
220.07002	0.4
235.09787	0.6
237.07648	1.6
243.03049	0.7
251.11427	1.3
261.04083	1.3
261.07672	0.4
262.04404	0.4
279.08820	0.5
319.57178	0.2
320.27603	0.2
337.09244	0.3
371.13419	0.2
389.06488	0.2
399.12946	100.0
400.13281	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	835.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.8
59.01381	9.9
61.98832	100.0
62.98529	0.6
62.99252	0.2
63.99260	0.6
68.99834	0.4
69.03458	1.3
71.01387	34.1
71.72054	0.2
71.72411	0.3
72.01740	0.6
72.99316	0.8
73.02957	2.1
75.00861	0.2
78.95905	0.5
79.95740	0.4
80.02687	0.3
80.96513	1.1
81.03466	1.2
83.01407	1.1
83.05022	1.6
84.02175	0.3
85.02955	2.5
87.00885	2.4
89.02455	8.9
93.03452	0.4
95.01424	0.9
95.05027	0.7
96.96050	0.2
97.02968	2.1
97.06593	0.4
99.00880	1.1
99.04495	0.3
101.02458	6.7
102.02768	0.2
105.21152	0.2
107.05022	0.2
109.02914	0.3
109.06596	2.9
110.03754	0.3
110.06952	0.2
111.00880	0.5
111.04520	0.3
113.02462	4.2
116.92893	2.3
117.92844	0.2
119.03532	1.8
121.02944	0.2
121.06564	0.3
123.04494	0.3
125.02473	3.0
125.06080	0.2
125.09711	0.6
127.11288	0.3
131.03525	0.3
133.04999	0.3
135.08124	0.5
136.05368	0.2
137.02405	0.5
137.09760	0.2
139.07629	0.4
139.11269	0.3
141.01869	0.6
142.02730	0.3
143.03510	1.0
145.05042	0.2
145.10217	0.2
149.04524	0.3
151.03967	0.3
151.11304	0.3
153.09134	0.3
153.12865	0.5
155.10738	0.7
161.04640	1.4
161.09735	0.2
163.11320	2.7
164.11603	0.3
165.12761	0.8
167.03435	0.3
167.10818	0.3
169.12364	1.5
171.09027	0.3
171.10301	4.5
171.13763	0.2
172.10640	0.2
179.04369	0.2
179.05643	2.3
179.10698	0.2
180.75903	0.2
181.12375	1.3
183.13940	1.8
185.11829	1.0
191.05507	0.7
191.10669	0.3
193.12260	0.5
197.11844	15.5
198.12056	0.8
199.09660	0.2
199.11703	0.3
199.13400	4.2
200.13683	0.3
201.09558	0.2
201.11320	3.5
207.10275	8.9
208.10521	0.6
209.11844	15.6
210.12193	1.2
211.13408	17.4
212.13686	1.4
215.12778	0.7
221.06563	1.1
223.13319	0.4
224.13683	0.2
225.11327	6.7
226.11526	0.5
227.12894	10.3
228.13084	0.8
229.14270	0.6
235.08273	2.0
235.13225	0.4
239.12737	0.2
243.12167	0.8
245.13699	0.2
247.13268	0.4
253.09030	0.7
263.07449	0.3
273.16760	0.3
287.07660	0.5
289.06894	0.2
299.14807	0.2
305.08514	0.4
323.09512	0.3
327.21475	0.3
357.23843	0.2
373.23776	0.4
379.12573	1.9
383.21872	0.6
391.24377	0.7
397.13531	10.9
398.13809	1.4
401.23282	1.4
415.14615	2.9
419.24286	1.1
420.24368	0.3
437.25269	0.3
577.24890	1.2
595.26361	1.3
605.23297	0.6
607.24713	0.7
609.27057	0.3
623.25824	1.2
625.27191	1.0
633.38635	0.3
757.36102	0.4
764.86658	0.2
771.36774	0.3
781.34326	0.4
799.37756	2.5
800.36694	0.4
817.38739	4.1
818.39044	1.5
835.39258	2.6
836.38751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98833	100.0
62.98537	0.2
62.99261	0.1
71.01401	0.1
71.42503	0.1
75.96320	0.0
78.95920	0.1
79.95747	0.1
80.96540	0.1
81.79097	0.0
85.74329	0.0
119.44083	0.0
125.02531	0.1
171.10255	0.1
197.11879	0.1
207.10355	0.1
208.10645	0.1
209.11823	0.3
225.11409	0.1
227.12910	0.1
253.09572	0.1
309.20755	0.1
389.19138	0.1
575.28168	0.0
709.41754	0.0
834.38263	0.1
834.53668	0.1
835.40692	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	834.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98833	100.0
62.98539	0.2
63.99255	0.3
71.01408	0.4
71.27596	0.2
71.63315	0.1
78.95921	0.6
79.95740	0.1
80.91700	0.1
80.96492	0.4
85.02966	0.1
88.16026	0.1
93.28076	0.1
94.98122	0.2
96.96036	0.2
96.97002	0.1
97.06643	0.1
99.08200	0.2
111.08175	0.2
113.88636	0.1
119.08787	0.1
125.02471	0.1
133.55252	0.1
135.08209	0.2
140.01233	0.1
150.93481	0.1
160.84583	0.1
171.10297	0.6
193.12346	0.2
197.11925	0.2
199.13463	0.2
207.10323	0.1
209.11839	0.4
211.13478	0.5
212.13742	0.1
225.00697	0.1
225.11481	0.1
225.14948	0.3
227.12816	0.1
229.71277	0.1
235.08252	0.1
243.16071	0.1
253.09258	0.1
289.18063	0.2
291.19614	0.1
293.21292	0.3
299.02042	0.2
307.19235	0.1
309.20676	0.2
311.22415	0.4
343.25018	0.6
397.13910	0.1
834.38672	0.1
834.52002	1.3
835.41504	0.3
835.55206	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.4
59.01381	25.9
60.01735	0.4
61.98837	1.7
65.03982	0.4
68.99835	0.5
69.03442	1.9
69.86901	1.8
71.01387	22.6
71.05029	0.7
72.99316	2.5
73.02943	2.6
74.08643	0.4
75.00898	0.6
75.93871	0.3
76.34523	0.3
78.95919	0.3
80.02682	3.2
81.03467	5.0
83.01379	2.6
83.05035	9.0
84.02174	1.9
84.05408	0.5
85.02956	6.0
87.00888	4.8
87.04527	0.4
89.02455	15.6
90.02766	0.3
93.03476	2.8
95.01384	2.0
95.05043	1.7
96.95995	0.4
97.02964	10.3
97.06613	1.0
98.20601	0.6
99.00885	2.7
101.02456	14.8
106.04285	0.6
106.71570	0.3
107.05054	0.9
109.02973	0.9
109.06607	25.8
110.03751	1.4
110.06972	0.4
111.00937	0.9
111.04542	1.0
113.02463	7.8
115.00391	0.4
116.92877	0.6
119.03524	3.9
121.02988	0.5
121.06601	2.2
123.00889	0.4
123.04573	1.5
123.05342	0.3
123.08197	0.5
124.01697	0.5
125.01611	0.6
125.02467	6.3
125.06096	1.3
125.09749	3.0
126.90434	1.0
127.04025	0.5
127.11224	0.4
128.03552	0.8
131.03500	0.9
133.06641	0.5
135.08180	4.6
136.05338	2.2
137.02454	1.0
138.03197	0.4
141.01945	0.9
142.02745	2.5
143.03529	1.9
145.10254	0.6
149.02255	0.3
149.09718	0.5
150.03235	0.5
151.00389	0.3
151.04025	0.7
152.73608	0.3
159.02977	0.7
161.02477	0.6
161.04579	2.8
161.09723	1.9
163.11311	21.2
164.11618	1.5
165.09238	0.7
165.12874	3.3
167.03455	0.4
167.39420	0.3
171.10280	2.3
179.05629	4.4
179.10811	1.0
181.12404	5.1
185.04509	0.5
185.11859	1.3
187.09752	1.1
189.09171	2.1
191.05638	2.4
191.10852	1.6
192.05786	0.4
192.11044	0.3
197.11865	0.5
199.06096	0.4
199.13438	0.5
201.11285	0.6
207.10280	71.5
208.10600	4.6
209.11841	100.0
210.12166	7.7
211.13399	0.9
217.07022	0.4
217.12294	0.9
221.06653	2.8
221.11842	0.8
223.09833	0.4
223.13510	1.0
225.11327	39.5
226.11703	2.3
227.12903	11.9
227.14816	0.3
228.13214	0.8
231.10286	1.0
235.08209	4.2
235.13409	0.9
239.12775	0.5
243.02831	0.4
243.12325	1.9
245.11693	0.6
247.13361	1.2
249.11272	1.5
251.12784	0.4
253.09343	0.6
263.07721	0.8
263.12857	2.1
265.14413	0.6
281.13895	0.5
287.07678	1.1
289.07190	0.7
297.07733	0.5
299.15030	0.9
305.08960	0.8
323.09796	0.9
327.08813	1.8
351.21530	0.4
371.22101	0.4
373.23926	0.6
379.12430	2.1
381.20831	0.4
389.23422	0.5
397.13504	26.7
398.13846	3.3
399.21732	3.2
400.22260	0.5
407.24411	0.6
415.14560	9.7
416.14825	0.9
417.22845	5.1
418.23184	0.6
435.24030	1.6
443.19052	0.3
491.26331	0.6
493.27515	0.3
605.24695	4.1
606.25079	0.7
607.25653	0.6
623.25751	6.7
624.25751	1.0
635.30334	0.5
647.25244	0.4
771.35687	0.4
780.78333	0.5
787.37598	0.5
789.35919	0.6
797.21106	0.7
797.36212	12.1
798.36841	4.0
815.37280	18.2
816.37891	5.0
833.38312	33.7
834.38611	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	833.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02392	0.5
65.00321	1.0
69.48041	0.6
69.48461	2.2
83.01396	0.6
89.66473	0.3
96.39191	0.3
107.01417	2.3
108.02219	0.5
109.02991	1.5
119.79835	0.3
121.02985	1.9
125.02457	0.4
135.00877	0.5
148.01717	0.5
149.02463	0.3
151.00404	9.2
152.00777	0.3
163.00366	2.2
164.01128	0.4
169.01414	0.4
178.99889	5.6
183.04564	0.5
185.06055	0.3
187.03926	0.4
187.45412	0.3
190.99879	0.5
192.00731	0.4
201.05589	0.5
205.05060	1.2
211.04028	1.2
226.02818	0.6
227.03545	2.2
229.04979	0.7
243.02969	4.2
244.03462	0.5
245.04591	1.1
254.02203	0.9
255.02985	14.6
256.03430	1.2
271.02481	26.8
272.02939	2.5
273.04050	0.9
283.02505	1.2
299.02032	0.7
300.02768	55.4
301.03510	41.7
302.03851	3.6
343.04694	0.4
447.09344	100.0
448.09674	14.1
469.86188	0.3
551.92206	0.3
602.98492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01382	18.6
61.98832	10.6
62.46845	0.2
65.03947	0.2
68.99813	0.3
69.03442	3.3
71.01386	18.4
71.05037	1.0
71.72015	0.2
71.72446	0.2
72.01734	0.2
72.99316	1.6
73.02580	0.3
73.02950	2.7
75.00871	0.4
78.95904	0.4
80.02674	1.7
80.42562	0.2
81.03465	2.3
83.01405	2.3
83.05032	6.1
83.75845	0.2
84.02185	1.0
85.02961	4.3
85.06596	0.4
86.00136	0.3
87.00886	4.1
87.04506	0.2
89.02454	15.6
91.04021	0.2
93.03468	0.5
95.01395	1.1
95.05048	0.9
96.96028	0.7
96.96966	0.2
97.02968	3.0
97.06599	0.4
99.00892	1.5
99.04522	0.2
100.50623	0.2
101.02457	13.4
102.02781	0.3
109.02972	0.5
109.06602	1.0
111.00912	0.3
111.04549	0.6
111.08148	0.3
113.02471	7.7
113.84389	0.2
114.02801	0.3
115.04028	0.3
119.03526	4.0
121.02998	0.4
123.04553	0.4
123.08175	0.2
124.01682	0.3
125.02470	5.7
125.03388	0.3
125.06124	0.7
125.09756	0.6
126.02820	0.2
127.04035	0.2
131.03508	0.5
133.05104	0.4
135.08195	0.5
137.02507	0.4
139.04047	0.4
141.01964	0.5
143.03542	2.4
144.47008	0.2
147.11819	0.3
149.04547	0.3
149.09766	0.5
151.04002	0.4
153.09279	0.3
161.04585	3.4
161.13403	0.4
163.11310	4.8
164.11598	0.3
165.12863	2.8
167.03662	0.4
167.10780	2.7
168.45454	0.2
169.05133	0.2
171.10271	1.0
175.02484	0.2
177.12881	0.6
179.05638	4.4
179.10823	1.2
179.14430	2.7
181.12398	1.0
185.04523	0.3
187.13419	0.3
191.10791	1.0
195.13924	8.5
196.14288	0.8
197.11871	0.4
199.06178	0.5
205.12341	7.2
206.12660	0.6
207.10347	0.7
209.11844	100.0
210.12166	7.0
211.13432	0.6
217.07195	0.7
221.06662	1.4
223.13400	74.6
224.13760	6.0
224.15463	0.1
225.11279	0.9
227.12898	16.2
228.13199	1.3
235.08238	4.3
245.06709	0.2
251.12924	0.3
253.09134	0.9
259.08258	0.3
261.14899	1.1
263.07578	0.4
265.14395	0.3
287.07779	1.2
289.07111	0.3
305.08832	1.8
323.10037	1.2
323.20523	0.2
327.21765	0.5
330.47351	0.2
379.12463	5.2
380.12738	0.4
397.13528	36.5
398.13831	3.5
415.14587	9.2
415.24963	0.3
416.14914	0.9
433.25745	0.4
441.21078	0.3
461.19965	0.3
589.25018	0.7
590.26038	0.3
603.26532	3.5
604.26794	0.5
607.26031	1.4
608.26721	0.4
621.27777	7.8
622.28052	1.4
771.41846	0.8
772.42822	0.3
795.38281	1.1
796.38489	0.4
813.39435	1.5
814.38983	0.3
831.37799	0.4
832.37610	0.2
858.05225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
61.98820	1.1
63.27140	0.5
71.01388	1.7
71.71806	0.7
78.53883	0.5
79.01894	34.5
85.02985	0.7
87.00874	1.7
88.98842	0.8
89.02454	0.8
95.01390	3.8
101.02437	1.4
107.05017	0.7
109.02995	1.0
111.00887	2.6
111.04525	11.5
118.95809	0.7
119.03618	0.5
123.00893	2.4
123.04527	1.5
123.08157	1.0
124.01669	5.3
125.02493	3.9
126.03252	0.7
135.04556	0.7
135.57896	0.5
137.02443	1.1
138.03162	0.6
139.04015	1.1
148.05316	12.2
149.05655	1.0
150.03242	0.6
151.00391	49.8
151.04010	6.8
152.00717	2.2
152.04355	0.6
153.01970	0.8
163.07669	14.5
164.07968	1.4
165.01903	0.6
165.05576	4.6
166.06364	30.6
167.06755	1.8
177.05576	1.0
179.03564	2.5
190.39467	0.5
191.05679	1.3
193.05042	5.9
194.05852	76.0
195.06566	13.3
198.05341	49.3
198.07256	1.1
199.05690	2.3
235.13463	0.6
247.09731	0.9
247.64500	0.5
248.12788	0.6
263.12866	99.2
264.13214	6.5
287.82025	0.4
289.07144	0.7
331.17819	0.5
343.49655	0.5
367.17459	0.6
414.59024	0.5
427.07214	1.2
429.08801	0.9
497.14655	1.4
523.18066	0.8
581.08954	0.9
620.17773	0.5
649.15454	1.1
692.21655	1.4
717.22046	0.9
760.28107	0.8
785.38208	0.5
829.35004	100.0
830.35352	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
71.01363	0.6
82.18937	0.3
95.01371	0.3
97.02953	0.6
109.02974	2.2
116.85195	0.3
123.00871	0.4
123.04508	0.8
125.02447	1.3
137.02519	0.7
139.04036	0.3
149.02478	0.5
151.00383	2.4
151.03995	0.4
161.02460	1.1
165.01921	0.6
177.01926	0.4
179.03461	0.4
187.04018	0.5
191.05589	0.7
199.03952	0.5
201.05432	0.4
214.02573	0.4
215.03500	0.7
227.03410	0.6
229.05087	1.1
230.02180	0.4
243.03029	0.7
245.04541	0.8
245.08188	0.6
257.04510	0.5
258.01675	24.7
259.02411	11.0
260.02805	0.8
271.02448	13.9
272.03198	8.1
273.04019	12.8
273.07037	0.6
274.04355	1.1
283.02441	1.0
285.04034	5.4
286.04471	0.4
289.07138	3.9
290.07513	1.1
291.07941	0.5
298.01144	0.4
299.02042	0.8
301.03540	73.5
302.03900	6.1
304.02261	2.2
313.03552	7.0
314.03973	0.6
329.03040	0.5
331.04584	45.0
332.04950	3.7
343.04718	1.6
361.05850	0.3
385.05917	0.4
403.06592	0.5
407.09503	0.5
421.07770	100.0
422.08115	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	829.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
63.02390	0.5
63.95597	0.2
65.00319	0.8
70.12675	0.3
71.01382	0.8
71.71726	0.2
71.72153	0.4
74.24944	0.2
83.01396	1.2
89.02448	0.3
93.03452	0.8
101.02445	0.5
102.98572	0.6
107.01400	2.3
108.02189	0.9
109.02950	1.3
113.02457	0.3
121.02953	1.6
125.02473	0.6
132.86560	0.3
137.02477	0.3
145.79784	0.3
148.01653	0.7
149.02477	1.3
151.00398	8.3
152.00771	0.5
161.02480	0.4
163.00371	2.1
163.03995	0.6
164.01245	0.3
169.01465	0.5
173.06032	0.3
174.03221	0.3
175.04008	0.3
177.42542	0.3
178.99866	3.4
183.04546	0.4
187.04034	0.6
191.03778	0.5
191.05620	2.9
192.05978	0.3
195.06645	2.0
199.04048	0.4
203.03462	0.3
211.03999	0.6
215.03482	0.7
216.04176	0.5
217.05038	3.7
218.00310	0.3
218.05838	5.8
219.06209	0.9
226.02704	0.7
227.03563	1.9
229.04912	0.6
232.07457	0.5
233.08208	0.3
239.03508	0.5
243.02971	5.8
244.03638	0.4
245.04556	1.3
247.09753	16.0
248.10194	1.3
254.02203	0.9
255.02983	13.7
256.03299	1.5
257.08167	0.8
269.04617	0.3
271.02463	28.2
272.02884	3.0
273.04037	0.5
273.07510	0.4
275.09244	29.4
276.09555	2.7
283.02402	1.1
283.05011	0.7
285.83105	0.3
287.09290	0.7
299.02078	0.6
300.02762	65.4
301.03491	38.7
301.07288	0.4
302.03857	3.1
305.10239	0.8
351.02045	0.3
379.04688	1.6
395.13489	33.8
396.13745	3.7
397.14371	0.4
415.25354	0.3
433.07773	100.0
434.08118	12.2
434.12695	0.2
535.64185	0.3
613.12866	0.4
655.13568	0.5
829.20160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
63.02398	0.9
65.00324	1.9
67.01899	0.1
71.01381	0.2
76.97051	0.4
79.95734	0.7
83.01385	1.4
87.00920	0.1
90.43973	0.1
93.03471	1.4
95.01427	0.3
95.62436	0.1
98.20673	0.2
101.69408	0.1
103.08299	0.1
105.03561	0.1
107.01409	3.9
108.01749	0.1
109.02974	0.2
118.13963	0.1
118.98025	0.1
119.05043	6.7
120.05396	0.3
120.96040	0.3
120.99344	0.3
123.00919	0.2
124.01677	0.9
125.02470	0.6
133.03011	0.8
135.04539	0.2
137.02475	0.2
139.00417	0.2
143.05096	0.1
145.03009	0.3
150.03217	0.1
151.00401	19.0
152.00760	0.7
157.06609	0.1
161.06117	0.2
165.01956	0.9
166.99892	0.2
169.01402	0.6
173.04599	0.3
175.97878	0.2
177.01952	1.1
185.06096	0.4
187.04129	0.3
191.05644	0.7
199.04102	0.5
203.97357	5.1
204.98065	0.3
215.03729	0.1
215.05675	0.3
218.96051	3.5
219.96628	0.2
220.71460	0.1
225.05460	0.2
227.07167	0.4
229.05074	0.4
230.96051	7.3
231.96646	0.7
237.77307	0.1
241.05046	1.0
243.02940	0.2
246.95558	0.3
256.97626	0.2
261.04041	0.5
262.04395	0.3
263.04666	0.2
269.04553	1.3
270.05014	0.1
271.06116	6.5
272.06482	0.8
285.04114	0.3
307.08325	0.1
307.11676	0.2
351.01801	100.0
352.02133	9.3
395.22723	0.1
477.10297	0.2
478.10397	0.2
638.73120	0.1
829.22791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.4
62.43603	0.3
62.95050	0.3
63.02406	0.7
65.00325	2.3
68.99825	0.4
70.85221	0.2
71.01384	5.6
72.99312	0.3
83.01397	1.9
85.02955	1.0
87.00890	0.4
89.02457	6.6
95.01427	0.3
101.02470	2.9
102.56637	0.3
107.01405	2.9
107.05068	0.7
109.02988	1.7
113.02450	1.9
119.03525	2.3
119.04989	0.4
123.04511	0.4
124.01663	0.4
125.02464	3.6
127.05461	0.2
131.05051	2.8
132.05377	0.3
133.02972	1.7
135.00905	0.4
137.02473	0.3
139.04037	0.5
143.03525	0.8
143.04996	0.3
145.02968	0.3
145.06525	0.4
147.04549	0.5
149.02449	0.5
149.04575	0.3
149.06088	1.0
151.00394	6.0
151.04019	3.4
152.04358	0.4
153.01920	0.4
154.04292	0.3
155.05067	2.7
157.02980	1.5
161.04575	0.7
165.01971	0.3
165.05588	0.5
167.10809	1.0
171.04544	0.7
173.04729	0.4
173.06105	2.8
174.03252	1.1
175.04028	11.2
176.04352	0.6
177.01933	3.0
179.05652	2.4
189.05582	0.7
191.03497	1.9
191.05582	0.9
193.05122	2.1
198.03188	0.4
199.04027	17.3
200.04417	1.2
201.01923	1.7
201.66928	0.2
215.03456	0.7
217.05063	5.3
218.05293	0.3
219.02977	0.8
231.03035	0.4
233.04573	1.1
243.02988	67.3
244.03293	5.1
257.04425	0.3
259.02487	0.6
260.41318	0.2
261.04041	100.0
262.04388	6.9
266.66910	0.2
273.04120	0.2
277.07217	0.3
285.03796	0.3
287.05573	0.7
289.07269	0.3
297.23584	0.2
303.05157	0.6
347.17126	9.0
348.17459	0.7
357.72073	0.3
417.08334	1.6
433.52316	0.2
435.09402	4.6
436.09842	0.4
439.12564	0.4
477.10397	56.8
478.10712	7.0
489.11807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.4
61.98840	0.6
63.02373	0.6
65.00321	3.4
68.99806	0.5
71.01393	3.3
71.21461	1.1
72.99301	0.4
73.02958	1.2
81.03476	0.6
83.01398	3.1
85.02937	0.9
89.02464	3.3
89.03954	0.6
93.03486	0.4
96.30750	0.3
101.02446	2.5
107.01408	3.8
107.05033	0.7
109.02981	3.1
111.00893	0.3
113.02468	1.3
119.03547	1.7
119.04994	0.5
120.62663	0.4
120.66602	0.4
123.04535	0.5
125.02461	5.8
127.05539	0.4
131.05023	4.4
132.04567	0.5
133.02995	2.7
135.00900	1.0
145.06616	0.4
147.04517	1.2
149.02455	0.7
149.04601	0.5
149.06081	1.6
150.03212	0.4
151.00392	8.5
151.04039	4.4
152.01173	2.2
153.01970	2.3
155.05057	3.4
156.05490	0.4
157.02936	2.5
161.02472	0.7
161.04619	0.9
161.06010	0.5
165.05623	0.5
167.10814	0.9
171.04585	0.9
173.04649	0.7
173.06108	6.9
174.03229	1.2
174.06435	0.5
175.04033	16.1
176.04308	0.7
177.01949	5.5
178.02345	0.5
178.99907	3.0
179.05663	0.7
180.05992	0.5
187.04021	0.8
189.01860	0.5
189.05576	1.1
190.02690	0.5
191.03494	1.9
191.05577	1.1
193.05055	2.7
194.05476	0.5
197.06161	0.4
198.03265	0.8
198.50250	0.4
199.04030	23.3
200.04398	2.1
201.01942	3.0
202.99911	0.6
203.03508	1.1
214.03049	0.5
215.03439	1.1
217.01610	0.5
217.05054	9.1
218.05418	1.1
219.03008	0.8
227.07150	0.5
229.05054	2.7
231.03061	0.6
233.04645	1.0
242.02238	0.8
243.02988	66.5
244.03316	6.6
245.03690	0.5
253.05057	0.5
257.04630	0.7
259.02469	2.1
259.06165	1.2
260.03119	0.7
261.04037	100.0
262.04376	10.0
263.04562	1.5
269.04407	1.7
271.02658	0.5
271.06073	0.7
275.87134	0.4
283.06125	0.6
285.03989	0.9
287.05618	0.7
299.90259	0.4
301.03571	0.5
303.05118	3.1
327.04990	1.2
340.81982	0.4
345.15598	1.3
346.15601	0.5
347.17133	7.5
348.17624	0.7
375.07162	2.6
391.10376	0.7
417.08310	10.1
418.08551	2.1
433.11377	4.2
434.11584	0.6
435.09311	6.0
436.09744	1.0
437.14960	0.4
477.10397	97.7
478.10745	16.2
478.17877	0.6
479.10800	3.7
686.22681	0.5
763.28217	0.4
806.05243	0.4
807.27484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.7
59.01382	100.0
60.01723	1.1
63.02401	0.6
65.00320	2.4
65.03988	0.4
68.99835	0.5
69.03453	1.3
71.01389	23.0
72.01725	0.5
72.99318	1.2
73.02955	25.2
75.00883	0.3
75.24368	0.2
81.03478	0.5
83.01398	10.1
85.02962	2.3
87.00885	0.6
89.02458	9.2
89.03996	0.4
91.01913	0.2
95.01411	1.0
97.02965	0.6
99.00903	0.4
101.02460	26.5
102.02807	0.7
107.01409	2.8
107.05053	0.6
109.02964	2.8
113.02470	10.5
114.02847	0.2
114.32578	0.2
119.03519	4.5
123.04547	0.3
124.01708	0.2
125.02466	5.6
127.05532	0.3
130.04300	0.2
131.03555	3.6
131.05038	3.5
132.05440	0.4
133.02968	2.6
135.00932	0.8
135.04538	0.4
137.02431	0.3
143.03520	3.5
143.05061	0.6
145.06668	0.5
147.04533	1.2
149.02580	0.5
149.04593	6.6
149.06081	1.3
151.00403	6.0
151.01546	0.4
151.04027	3.7
153.01958	1.3
155.03575	1.0
155.05060	2.8
157.02974	2.6
161.04584	10.0
162.04938	0.6
163.04066	0.3
171.04538	0.7
173.06100	5.2
174.03255	1.0
175.04025	13.3
176.04451	0.4
177.01945	4.9
178.02333	0.4
179.05624	0.9
187.04050	0.6
189.01965	0.3
189.05598	0.9
190.02597	0.3
191.03528	1.6
191.05438	0.5
193.05093	2.5
198.03241	0.9
199.04027	19.8
200.04384	1.3
201.01891	2.3
202.99883	0.8
203.03545	1.1
203.05637	1.5
215.03517	0.9
217.05077	6.5
218.05426	0.3
219.03006	0.8
221.06676	3.3
225.05563	0.3
227.03511	0.3
229.48112	0.3
231.03004	0.4
232.80730	0.2
233.04613	1.2
242.02179	0.4
243.02991	57.3
244.03354	4.3
255.02940	0.5
257.04544	0.9
259.02487	1.6
259.04977	0.2
259.05960	0.2
260.03210	0.5
261.04037	83.6
262.04388	6.6
271.02478	0.5
271.06146	0.2
285.04153	0.8
299.05280	0.2
300.02792	1.4
301.03635	1.5
303.05099	2.5
303.14426	1.2
327.05060	0.6
339.05270	0.3
345.06696	0.2
357.06271	0.6
375.07123	2.5
376.07635	0.4
377.14847	0.3
387.06995	0.4
417.02661	0.5
417.08282	9.3
418.08569	0.8
435.09317	4.7
436.09680	0.8
447.09253	2.6
448.09872	0.4
477.10394	66.4
478.10742	8.9
542.11066	0.2
594.66034	0.2
655.16681	0.3
807.27502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06530	0.2
59.01379	0.7
65.83071	0.2
67.01895	0.4
68.99812	0.2
69.03452	1.2
70.05503	1.3
71.01390	0.7
71.05029	0.5
74.93713	0.3
79.01899	0.2
80.02678	0.5
81.03469	5.7
83.01386	2.6
83.05048	0.6
85.02956	0.5
89.00305	0.3
89.03964	0.2
91.01880	0.3
93.03471	0.9
95.01409	1.1
95.05038	8.3
96.96021	0.7
97.02966	4.0
99.04539	1.7
99.08163	1.7
101.02440	0.3
101.06110	2.3
107.01410	0.3
108.02197	0.5
109.02974	8.2
110.03252	0.3
111.04565	0.5
113.02454	0.8
119.05043	0.3
121.03011	0.5
121.06544	0.3
121.25871	0.2
122.03772	1.2
123.04547	6.9
123.08182	3.0
124.04846	0.5
125.02468	16.0
125.06102	6.4
126.02805	0.8
133.02980	1.0
134.03749	0.3
135.00893	0.3
135.04559	0.6
137.02458	2.1
137.09705	0.5
139.04008	0.6
139.11369	0.3
141.09238	1.2
145.02974	0.6
147.04524	1.0
149.02451	0.6
150.03233	0.8
151.00456	0.5
151.04016	2.0
151.11223	0.3
155.03511	1.3
159.04584	0.5
161.02484	2.6
161.09761	0.6
162.03175	0.5
163.00380	0.3
163.03891	0.3
163.07704	0.6
164.08499	1.4
165.01886	0.6
165.09230	8.4
166.02872	0.4
166.09557	0.6
167.03523	16.0
167.07207	1.8
168.03833	0.8
175.03925	0.5
176.01170	0.5
177.01955	8.7
178.02423	0.7
179.03458	0.5
179.10789	8.9
180.11044	0.2
181.08696	1.2
183.10300	1.3
187.04016	0.9
189.01952	16.8
189.09230	0.3
190.02679	3.8
191.03494	3.6
191.05440	0.5
191.07155	0.6
191.10817	0.4
192.03860	0.4
197.04521	1.3
203.03548	2.0
203.07179	0.5
204.47655	0.3
205.08731	0.6
207.06621	0.4
207.10287	3.3
209.08202	20.7
210.08540	1.7
216.00609	2.6
217.01427	14.6
218.01886	1.4
219.02991	5.2
219.10255	0.3
220.03351	0.3
221.08221	5.0
222.08693	0.8
223.09752	1.9
229.01372	0.3
231.03006	5.3
231.10335	0.4
232.03596	0.6
233.04553	0.5
233.08115	0.5
235.09749	1.5
245.08298	0.4
248.06851	0.8
249.07687	0.4
249.11206	0.3
251.09248	100.0
252.09575	7.9
263.09265	2.3
270.11206	0.3
275.09250	0.8
281.10321	18.3
282.10684	1.8
289.07214	0.8
293.10287	0.6
297.07785	0.4
306.07599	0.6
323.05618	0.8
335.11465	0.4
341.06668	32.7
342.07059	3.1
353.12445	1.7
361.12546	0.3
371.13492	69.6
372.13809	7.4
450.14801	0.3
451.10336	44.7
452.04715	0.4
452.10684	7.1
454.69861	0.3
823.56006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
57.47281	0.2
58.00595	0.6
59.01380	10.9
65.00328	0.4
67.01888	0.5
68.99818	1.2
69.03458	1.5
69.47924	0.7
69.48354	1.8
71.01388	14.4
72.01720	0.4
72.99310	3.1
73.02948	1.2
75.00882	11.5
81.03459	0.3
83.01376	1.3
83.05057	0.3
84.02203	0.3
85.02962	17.8
86.03297	0.5
87.00888	6.1
89.02457	4.6
89.02999	0.4
91.04021	1.0
91.05544	8.7
92.05893	0.6
93.03473	1.2
95.01402	4.6
98.19935	0.6
99.00894	7.1
99.81736	0.3
101.02478	0.8
103.00364	1.9
107.01395	0.5
109.02956	1.0
111.00896	0.8
111.04502	0.5
112.01678	0.5
113.02467	22.1
114.02805	0.8
115.00394	1.1
117.01982	1.8
117.03498	2.4
121.02976	9.1
121.03848	0.6
122.03255	0.3
125.02442	1.8
126.13680	0.3
129.01987	1.6
130.99873	0.3
131.03532	0.6
131.05008	0.4
133.02983	0.4
135.04543	5.7
137.02477	0.3
139.00456	0.4
149.04576	0.4
151.00349	1.2
151.04048	0.6
153.01978	0.4
157.01411	0.5
163.19456	0.2
173.06067	0.9
175.02498	1.2
175.04033	2.1
177.01961	0.9
191.03719	0.3
191.05589	1.4
193.05067	0.6
199.04013	3.2
201.01915	0.3
205.07185	0.9
207.05154	1.1
217.05084	1.2
223.08231	0.6
231.05150	1.2
243.02986	8.2
244.03404	0.5
249.06154	19.6
250.06506	1.1
259.02484	0.3
261.04050	12.9
262.04346	1.1
263.07681	1.9
267.07208	56.1
268.07559	3.2
285.04108	0.4
303.05200	0.4
326.41220	0.3
367.10544	0.3
375.07202	2.0
385.11423	100.0
386.11795	10.7
435.09338	8.4
436.09628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01380	1.6
60.99305	0.8
61.98833	0.3
65.00322	0.2
67.01892	2.1
69.03463	0.9
70.54888	0.5
70.55280	0.5
71.01373	1.5
73.02978	0.3
75.00890	0.3
77.03964	0.3
81.03458	1.5
83.01407	0.4
83.05034	1.4
85.02951	0.9
87.00879	2.9
89.03979	0.6
93.03470	18.2
94.03806	0.8
95.01388	0.4
95.05035	1.4
97.02984	0.5
97.06596	1.3
99.04532	0.7
105.03478	4.0
107.01427	0.3
108.02209	0.4
109.02963	1.1
111.04540	5.4
112.04889	0.3
113.02478	0.3
117.03472	2.4
119.05050	0.6
121.02963	1.0
123.04531	1.9
124.01662	0.3
125.02470	3.1
125.06134	0.4
127.04025	0.6
129.01976	0.8
133.02977	17.4
134.03763	33.6
135.04575	9.3
136.04837	0.5
137.02481	4.4
138.02809	0.2
139.04013	0.8
145.02982	1.1
145.06615	0.3
147.38933	0.3
149.02437	1.1
150.03206	0.6
151.00345	1.3
151.03983	0.5
155.03534	3.8
156.03760	0.3
158.03778	0.3
159.04504	0.6
160.01672	0.6
161.02490	3.3
161.04553	0.3
161.06068	0.4
162.03253	12.9
163.03702	0.7
164.01161	0.4
165.01950	0.9
165.09247	1.3
167.03545	1.2
173.04587	12.5
173.06000	0.6
174.04857	0.5
175.04007	0.5
176.24950	0.3
177.01956	7.1
178.02759	4.9
179.03436	0.7
179.10837	0.3
187.03987	0.4
187.07666	1.5
189.01909	1.3
190.02654	0.5
191.05637	7.3
191.07343	0.5
199.04024	0.3
203.07161	0.4
203.10828	1.2
203.71324	0.2
209.06609	0.2
209.08202	6.1
210.08482	0.5
217.01381	0.9
219.02992	0.6
231.10268	27.5
232.10599	2.3
243.03017	0.4
251.09206	4.5
257.08136	0.9
275.09238	100.0
276.06622	0.4
276.09595	7.4
281.10303	0.7
285.03998	0.5
289.07217	0.4
301.03485	0.4
335.00223	0.3
341.06653	2.3
351.07022	0.3
352.07904	0.5
367.12051	0.7
371.13464	3.2
372.13831	0.4
385.12814	1.1
435.10815	2.5
436.11075	0.3
447.09219	0.4
448.09335	0.4
449.14545	61.1
450.14914	7.7
466.65915	0.3
803.23816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
60.91704	0.1
61.98832	100.0
62.98526	0.2
63.99269	0.1
66.72867	0.1
71.01389	0.3
71.72424	0.2
74.24811	0.1
78.95947	0.3
79.95723	0.2
80.96519	0.9
94.98129	0.2
96.96030	0.3
96.96960	0.1
125.02556	0.1
164.98599	0.1
171.10304	0.2
203.98900	0.1
211.13336	0.2
225.00804	0.3
229.52760	0.1
238.08586	0.2
249.34949	0.1
279.06509	0.1
293.21152	0.3
375.22009	0.2
458.34137	0.1
459.27704	0.3
731.37244	0.3
821.41809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
63.02399	3.9
64.02728	0.2
65.00326	7.7
69.92445	0.4
69.92861	0.3
83.01395	4.3
84.01729	0.2
84.33922	0.1
92.95269	0.1
93.03464	1.9
95.01423	0.2
107.01401	12.9
108.01743	0.4
108.99329	0.2
109.02950	1.1
111.00882	0.2
119.05095	0.1
121.02970	12.0
122.03319	0.5
124.01617	0.1
125.02457	0.7
131.05058	0.2
135.00948	0.2
135.04449	0.1
137.02464	0.2
139.04015	0.8
143.05070	0.2
145.02979	0.2
147.04448	0.2
148.01692	0.2
149.02469	1.7
151.00388	42.6
152.00708	1.8
157.02954	0.2
157.06596	0.1
159.04538	0.3
161.02469	0.7
162.03084	0.1
163.00433	0.8
163.04073	0.5
164.01175	0.9
165.01834	0.2
166.74469	0.1
169.01451	2.3
170.01761	0.1
171.04524	0.1
173.06131	0.2
175.04004	0.8
177.05524	0.2
178.99876	18.7
180.00175	0.8
183.04541	0.3
185.06157	0.2
187.04031	0.4
191.03503	0.1
192.00671	0.5
193.01410	1.0
193.05182	0.1
198.03242	0.1
199.04012	1.0
201.01834	0.1
201.05585	0.5
203.03525	0.3
205.05089	0.4
211.04004	0.5
213.01816	0.1
213.05408	0.1
215.03513	0.1
217.05074	0.3
227.03502	0.3
228.04091	0.2
229.05055	1.0
230.02194	0.1
230.05351	0.1
231.02986	0.2
239.03410	0.2
240.04198	0.1
243.02971	3.5
244.03284	0.2
245.04515	0.9
255.03024	0.4
256.03842	0.3
257.04623	0.7
257.12723	0.2
261.04034	3.6
262.04416	0.2
271.02490	0.1
273.01239	0.2
273.04010	2.6
274.04449	0.2
284.03244	0.2
299.02081	0.3
300.02734	0.3
301.03531	100.0
302.03876	8.3
302.07504	0.1
303.05069	0.2
413.28680	0.1
417.08307	0.3
477.10419	1.2
519.11383	1.7
520.11707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
60.85495	0.3
61.98820	0.4
71.05038	0.5
87.68661	0.3
89.93456	0.3
96.55884	0.3
99.08138	0.4
119.29745	0.3
125.06117	3.8
125.09682	0.4
137.09749	6.0
151.04042	4.9
152.04808	0.4
155.10721	0.5
163.11301	2.4
165.05630	0.7
166.02730	0.9
176.63155	0.3
177.01942	0.7
179.03532	1.3
179.10773	0.7
180.04306	3.9
181.08594	0.4
181.12363	0.5
191.10741	0.7
193.12401	0.7
195.99809	0.4
201.29155	0.4
205.12422	0.4
207.10333	0.7
217.08681	1.5
220.42523	0.3
221.08200	3.1
222.08929	1.4
223.09610	0.5
229.34212	0.5
233.08267	0.6
235.09764	50.9
236.10443	13.0
237.10844	1.0
247.09729	1.7
249.11325	6.5
255.68015	0.4
291.15994	2.0
292.16208	0.4
313.22076	0.4
317.17801	0.4
331.22742	1.0
357.20685	0.7
359.18591	0.6
373.20300	0.5
374.21033	0.9
375.21793	60.9
376.22113	7.6
399.29059	0.5
435.10931	0.4
443.28049	100.0
444.28415	15.5
714.15247	0.5
819.50269	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	820.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
60.91704	0.1
61.98832	100.0
62.98526	0.2
63.99269	0.1
66.72867	0.1
71.01389	0.3
71.72424	0.2
74.24811	0.1
78.95947	0.3
79.95723	0.2
80.96519	0.9
94.98129	0.2
96.96030	0.3
96.96960	0.1
125.02556	0.1
164.98599	0.1
171.10304	0.2
203.98900	0.1
211.13336	0.2
225.00804	0.3
229.52760	0.1
238.08586	0.2
249.34949	0.1
279.06509	0.1
293.21152	0.3
375.22009	0.2
458.34137	0.1
459.27704	0.3
731.37244	0.3
821.41809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.00602	0.9
59.01380	17.7
61.98831	1.8
65.89141	0.2
68.99830	0.3
69.03455	1.6
70.85686	0.4
71.01385	15.7
71.05021	0.2
72.01740	0.4
72.99313	1.3
73.02950	3.0
75.00869	0.4
75.03719	0.2
78.95932	0.2
80.02696	1.2
80.26591	0.2
80.96518	0.2
81.03468	2.1
82.95414	0.3
83.01375	1.7
83.05029	5.2
84.02166	1.0
85.02961	3.7
85.03451	0.4
85.07171	0.2
86.00096	0.2
87.00888	4.0
87.04534	0.2
89.02452	14.4
90.02793	0.3
93.03462	0.3
95.01386	1.0
95.05038	0.9
96.96032	0.5
97.02958	2.6
97.06622	0.3
99.00903	1.1
99.04505	0.2
101.02454	12.7
102.02789	0.2
109.02960	0.4
109.06599	0.6
111.00891	0.4
111.04527	0.7
113.02467	7.5
114.02801	0.3
114.93439	0.3
115.00355	0.2
115.04063	0.4
116.92863	0.3
119.03516	3.3
121.02984	0.4
123.00916	0.2
124.01704	0.2
125.02458	6.0
125.06081	0.6
125.09690	0.2
127.04073	0.2
127.11282	0.2
129.01981	0.2
131.03526	0.6
133.05112	0.4
135.08174	0.7
137.02473	0.3
139.04021	0.6
141.01976	0.6
143.03503	2.6
145.05084	0.3
147.11856	0.3
149.02492	0.3
149.04585	0.6
151.03999	0.2
155.10873	0.2
161.04572	3.3
163.11290	3.7
164.11613	0.3
165.12868	2.5
166.13152	0.2
167.03554	0.3
167.10786	0.3
167.14436	0.5
169.12384	0.2
171.10286	1.6
172.10544	0.2
179.05624	4.4
180.05988	0.2
181.05193	0.3
181.12343	0.8
183.13910	6.2
184.14194	0.5
185.04544	0.3
185.11885	0.2
191.05585	0.3
191.10829	1.0
193.12325	2.2
199.06111	0.5
199.13422	0.6
201.11340	0.4
207.10356	0.9
208.10623	0.3
209.11838	100.0
210.12175	6.9
211.13399	88.5
212.13737	6.7
217.07162	0.6
221.06664	1.4
225.11328	0.8
225.14934	0.3
227.12888	16.0
228.13228	1.1
229.14505	0.2
235.08223	4.8
235.64085	0.2
236.08678	0.3
241.14464	0.4
245.06711	0.4
249.14966	0.6
251.12852	0.3
253.09239	1.2
253.14453	0.3
259.08191	0.6
263.07739	0.4
277.09113	0.2
287.07660	1.7
301.09238	0.2
305.08780	1.5
323.09857	1.2
337.00592	0.2
341.10742	0.2
341.23355	0.5
357.23093	0.3
379.12494	6.5
379.17456	0.4
380.12830	0.8
397.13513	37.3
398.13837	3.9
403.25055	0.5
415.14575	9.0
416.14960	1.2
421.26001	0.3
428.14392	0.2
429.21671	0.2
574.74438	0.2
589.24939	1.0
590.25690	0.3
591.26636	2.1
592.26801	0.4
607.26294	1.8
609.27777	4.7
610.27997	0.8
700.52258	0.2
706.97394	0.2
783.38458	0.9
784.39288	0.3
801.38879	1.1
819.39502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.1
61.98832	100.0
62.98542	0.2
62.99258	0.1
69.68153	0.2
69.68577	0.1
71.01405	0.2
78.95907	0.1
80.96510	0.3
87.00909	0.0
94.98109	0.1
97.06564	0.1
101.02546	0.0
125.02473	0.1
143.01370	0.0
150.96147	0.0
157.40804	0.0
164.98668	0.0
171.10297	0.1
197.11833	0.3
206.99525	0.1
209.11833	0.4
210.12265	0.1
211.13422	0.2
225.00764	0.1
227.12984	0.1
253.09105	0.0
254.09532	0.1
309.20593	0.0
341.23178	0.1
342.23630	0.1
649.36761	0.0
652.72864	0.1
818.37384	0.1
818.49292	0.2
819.39294	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.1
59.01375	0.4
61.98833	100.0
62.98537	0.1
69.03453	0.1
70.81454	0.3
71.01388	1.8
72.99323	0.1
75.00864	0.1
78.95944	0.1
78.98582	0.1
79.95762	0.3
80.96528	1.3
83.01408	0.2
84.25327	0.1
85.02977	0.2
87.00895	0.5
89.02467	0.3
94.98124	0.3
96.96001	0.1
97.02995	0.2
97.06620	0.1
98.19895	0.1
99.00863	0.1
101.02483	0.3
106.98107	0.1
109.06654	0.2
111.04523	0.1
113.02506	0.2
116.92909	0.1
123.04605	0.1
125.02498	0.3
125.09740	0.2
148.99187	0.2
151.04071	0.1
152.98653	0.1
163.11412	0.2
164.98682	0.2
171.10295	0.6
179.05669	0.1
179.10820	0.1
181.12392	0.1
185.11853	0.1
187.09917	0.1
191.05460	0.1
196.51463	0.1
197.11749	0.2
199.13533	0.1
201.11382	0.2
207.10320	0.7
208.10542	0.2
209.11777	0.7
210.12299	0.1
211.13431	0.8
212.13795	0.1
223.09758	0.2
225.00839	0.4
225.11371	0.4
225.15175	0.1
226.11874	0.1
227.12869	0.2
235.08333	0.1
241.14413	0.4
253.09351	0.2
289.07233	0.2
302.73007	0.1
309.21210	0.1
327.21921	0.1
331.51089	0.1
341.23373	0.6
397.13599	0.3
800.39075	0.1
818.36395	0.4
818.51813	0.1
819.38800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98532	0.1
71.01398	0.3
71.29733	0.1
71.30078	0.1
78.95946	0.1
78.98579	0.1
79.95741	0.3
80.96518	1.4
84.55168	0.0
85.03007	0.1
94.98098	0.3
117.63174	0.1
122.97631	0.1
125.02496	0.1
134.97647	0.1
140.19035	0.1
148.99168	0.1
152.98650	0.1
164.98685	0.2
209.11839	0.4
210.12219	0.3
211.12347	0.1
225.00819	0.4
228.13152	0.1
243.59331	0.1
277.21844	0.3
278.22137	0.3
279.22504	0.2
280.22610	0.1
285.11813	0.1
286.88220	0.1
289.18329	0.1
291.19864	0.1
293.21213	0.1
294.84012	0.1
307.19275	0.2
340.56827	0.1
440.86664	0.1
501.26941	0.1
819.42255	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	818.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98833	100.0
62.72650	0.1
62.98541	0.1
62.99279	0.1
69.52557	0.5
71.01401	0.1
78.95939	0.1
79.95744	0.1
80.96530	0.3
90.05800	0.1
94.98130	0.1
97.02988	0.1
104.71818	0.1
107.10631	0.1
109.06631	0.1
110.74601	0.1
125.02452	0.1
163.02129	0.1
164.98656	0.1
171.10336	0.1
173.22464	0.1
191.05800	0.1
207.10356	0.1
209.11853	0.2
211.13350	0.1
225.00914	0.1
225.11375	0.1
247.29471	0.1
291.19797	0.1
293.21317	0.1
295.22665	0.1
327.21921	0.1
341.23108	0.1
423.35767	0.1
752.27911	0.1
819.38361	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98832	100.0
62.98542	0.2
62.99247	0.1
70.28381	0.3
71.01415	0.1
79.95750	0.1
80.11684	0.1
80.96515	0.2
92.05259	0.1
102.24332	0.1
105.63454	0.1
113.02459	0.1
141.54951	0.1
161.36357	0.1
197.11865	0.2
198.12221	0.1
201.18774	0.1
209.11856	0.2
210.12234	0.1
211.13379	0.1
253.09349	0.1
302.75165	0.1
310.21301	0.1
341.23407	0.1
355.30075	0.1
389.07599	0.1
468.97311	0.1
494.72113	0.1
762.18420	0.1
819.39246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.1
61.98831	100.0
62.98543	0.2
69.78202	0.3
71.01393	0.1
78.95903	0.1
79.95750	0.1
80.96512	0.3
88.40124	0.0
97.03007	0.0
101.02448	0.0
109.06569	0.0
112.92134	0.0
125.02415	0.1
163.11230	0.0
164.98685	0.1
169.12383	0.1
171.10361	0.1
191.05603	0.1
197.11827	0.3
203.05014	0.0
207.10258	0.1
208.10710	0.0
209.11829	0.4
210.12230	0.3
211.13208	0.1
224.04750	0.0
225.00806	0.1
225.11375	0.1
227.12894	0.1
235.07976	0.1
244.71405	0.1
253.09372	0.1
289.17999	0.1
291.19589	0.1
292.20056	0.0
307.19327	0.1
309.20673	0.2
310.21292	0.1
311.22156	0.0
659.84784	0.0
816.48871	0.2
817.37872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
63.02404	0.4
65.00318	1.2
67.65926	0.2
71.01385	0.4
73.02942	0.7
83.01372	0.9
86.82609	0.1
90.33861	0.2
91.01877	0.3
97.82742	0.2
101.02497	0.4
107.01411	2.8
108.02183	0.6
109.02962	1.9
119.01460	0.2
121.02991	1.9
123.54980	0.2
125.02436	0.3
130.21283	0.2
135.00887	0.4
137.02422	0.2
142.92287	0.2
145.39481	0.2
148.01672	0.7
149.02441	0.4
151.00392	10.1
152.00748	0.5
159.04588	0.4
163.00389	2.5
164.01152	0.5
165.01984	0.2
169.01433	0.9
178.99884	5.3
180.00220	0.3
183.04514	0.4
184.05115	0.2
187.04036	0.5
190.99820	0.2
191.05589	0.6
192.00635	0.4
198.03140	0.2
199.03984	0.4
201.05550	0.6
203.03554	0.3
208.41139	0.2
211.04028	1.0
212.04770	0.2
214.02684	0.2
215.03482	0.4
216.04346	0.3
226.02718	0.7
227.03537	1.7
228.04082	0.2
229.05046	1.1
229.32509	0.2
239.03600	0.4
243.03003	5.3
244.03496	0.5
245.04587	1.6
254.02220	1.2
255.02986	16.0
256.03421	1.2
266.02258	0.3
271.02472	28.1
272.02878	3.2
273.04074	1.3
283.02371	1.6
299.01993	0.7
300.02759	56.1
301.03503	45.1
302.03912	3.7
369.15546	0.3
381.99060	0.2
383.47012	0.2
447.09329	100.0
448.09653	13.6
581.26178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
63.96240	1.8
64.03016	0.4
69.03459	0.7
70.46748	1.7
71.01385	10.1
72.01714	0.4
72.99341	0.4
73.02589	0.3
73.02956	2.2
78.95914	1.1
78.98601	8.5
79.95259	0.7
79.95743	17.8
80.96526	100.0
81.03464	1.4
83.01373	0.5
85.02959	3.5
85.91886	0.3
87.00894	3.5
94.98100	23.9
96.96015	1.5
97.02982	2.1
99.00873	0.8
101.02453	3.4
106.98103	4.2
114.53186	0.4
122.97594	4.2
124.93346	0.4
125.02457	3.9
127.03989	1.2
134.97598	7.3
136.99173	2.0
146.97577	0.8
148.99158	7.5
152.98645	7.6
164.98650	15.7
178.51006	0.4
188.98621	0.6
199.90672	0.4
206.99669	3.0
225.00758	21.2
226.01097	0.5
255.23247	2.6
277.21771	1.6
278.57562	0.4
279.23245	0.8
283.04794	0.5
320.92343	0.4
322.91730	0.4
378.64471	0.4
476.87201	0.4
524.85437	0.4
537.27478	1.4
538.27625	0.4
551.28571	0.5
559.25879	2.1
644.08496	0.4
815.50079	92.4
816.50446	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.1
59.01369	0.2
61.98832	100.0
62.98528	0.2
71.01382	0.2
71.71522	0.1
72.99341	0.1
75.00874	0.1
78.33088	0.1
78.95926	0.2
80.96506	0.1
88.98831	0.2
89.02437	0.1
96.96027	0.5
96.96973	0.2
101.02458	0.1
116.25302	0.1
125.02490	0.2
130.89565	0.1
133.88405	0.1
137.02483	0.2
138.35126	0.1
151.04012	0.1
163.11391	0.1
171.10394	0.1
191.05608	0.2
207.10329	0.1
209.11908	0.6
210.12079	0.1
211.13487	0.2
223.13495	0.1
223.26781	0.1
309.20642	0.2
536.42297	0.1
735.25415	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	815.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.98841	0.9
63.29198	0.2
70.72071	0.9
71.01392	3.1
71.05022	0.2
73.02953	0.8
75.00884	0.9
78.95913	4.5
79.95755	0.4
80.02695	0.8
80.96554	1.3
81.03471	1.1
83.01430	0.3
83.05037	3.7
84.02200	0.3
84.92942	0.3
85.02966	0.8
86.00129	0.2
87.00877	0.7
89.02454	2.2
92.16898	0.2
93.03426	0.3
95.05051	0.6
96.96989	1.1
101.02450	2.4
104.42494	0.2
109.06626	0.5
113.01768	0.2
113.02454	1.3
119.03519	0.5
122.58255	0.2
125.06100	0.3
135.08206	0.4
143.03523	0.5
145.05153	0.3
152.99658	1.2
161.04553	1.3
163.11340	2.4
165.12866	1.9
171.10329	2.6
179.05647	0.6
181.12375	0.5
191.10820	0.9
194.73511	0.2
199.09810	0.3
207.10286	0.7
209.11848	100.0
210.12164	6.8
213.62343	0.3
223.00140	0.4
225.11281	0.8
227.12903	11.4
228.13225	0.7
235.08224	3.3
241.01208	2.3
253.06590	0.5
253.09282	8.6
254.09676	0.4
255.23317	2.4
259.15625	0.4
259.20773	0.3
277.21732	72.2
278.22083	7.7
290.36060	0.2
306.45941	0.3
427.19754	0.3
445.20782	3.3
446.21045	0.4
449.61166	0.2
463.21548	0.5
513.30499	1.2
631.28638	0.3
725.39142	1.6
726.39832	0.4
779.39789	0.7
780.39197	0.3
797.40985	3.8
798.40710	1.1
815.42096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98634	0.3
59.01376	0.9
63.96224	1.7
69.03455	0.6
69.85174	0.4
71.01386	9.4
72.99302	0.5
73.02964	2.0
78.95903	0.5
78.98599	8.8
79.95746	20.0
80.96526	100.0
81.03465	0.7
83.01366	0.4
85.02970	3.5
87.00878	4.0
94.98100	21.5
95.01443	0.5
96.96018	2.3
97.02997	1.9
99.00867	0.7
101.02457	3.9
106.98100	4.0
122.97586	4.4
125.02462	3.7
127.04045	0.9
131.18600	0.4
134.97610	6.6
136.99147	2.5
148.99159	7.3
152.98666	7.7
164.98648	14.2
167.00218	0.6
171.10254	1.2
176.77681	0.4
179.00230	0.4
188.98645	0.4
206.99722	3.4
225.00761	24.0
226.01042	0.9
255.23344	2.3
256.23618	0.9
285.27231	0.4
378.68658	0.4
425.15558	0.4
453.14432	3.5
537.27484	2.3
709.38574	68.3
710.38922	14.4
710.48212	0.3
723.40417	1.1
735.39655	0.7
763.39648	0.6
767.42627	0.8
781.40796	0.8
795.42297	8.7
796.42242	1.6
811.41895	0.6
813.43365	37.9
814.43805	9.8
822.89404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01374	5.1
61.98832	20.4
69.88240	1.6
69.88639	0.9
71.01391	4.5
78.95892	0.6
80.02691	1.4
80.96561	0.6
81.03462	1.6
83.01394	0.7
83.05023	5.8
84.02187	0.9
85.02979	1.0
87.00906	0.7
89.02464	2.1
93.03468	0.6
95.05052	0.9
97.02959	0.5
97.06609	2.2
101.02462	3.2
109.02976	0.6
109.06582	1.1
110.56545	0.5
111.08176	1.1
113.02449	1.8
114.40091	0.5
117.34959	0.5
119.03495	0.8
125.02444	0.7
125.06097	0.7
125.09709	1.2
135.08142	0.6
137.02498	0.6
137.09709	0.7
151.11314	1.9
161.04556	0.8
163.11284	4.6
165.12872	5.3
167.10872	0.5
169.12376	0.9
171.10298	0.9
177.12758	0.6
179.10835	1.2
181.12347	3.0
183.14017	0.6
191.10793	2.4
191.14450	0.8
197.11873	2.1
207.10249	1.8
209.11838	100.0
210.12181	6.6
211.13396	1.7
223.13405	0.7
225.11304	1.3
227.12903	16.4
228.13211	1.4
235.08217	2.2
245.19084	2.0
253.09288	8.2
263.20169	2.2
271.16956	0.5
289.18097	6.5
291.19693	0.7
305.17606	0.6
307.16098	0.6
307.19174	16.5
308.19427	1.5
309.20703	1.3
445.20682	2.7
522.68542	0.5
525.27130	1.3
543.28198	1.3
601.81873	0.6
637.32440	1.1
735.39551	1.5
753.42517	2.4
754.44720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.6
59.01368	2.8
60.99299	0.9
61.98827	1.8
69.43571	4.7
71.01392	1.2
73.02953	0.9
79.91988	0.4
83.01359	0.6
88.98808	4.1
89.02490	0.6
95.01400	2.1
95.37864	0.4
95.80398	0.5
96.64643	0.4
99.00869	0.5
99.04523	1.8
101.02457	2.3
108.02193	10.6
109.03046	0.4
110.00121	1.5
111.00937	0.6
113.02467	0.7
120.03405	0.5
121.02953	0.8
123.00906	17.0
123.04540	7.6
124.01679	98.3
125.02030	2.1
136.01714	3.6
137.02469	7.9
138.03275	3.9
139.00459	1.3
139.04031	100.0
140.04366	3.4
149.02452	4.0
150.06921	0.9
151.00360	1.0
151.04050	2.2
152.01184	9.8
153.01927	2.2
159.04475	0.5
161.04497	0.7
161.06123	0.7
162.06898	0.8
163.04057	2.8
163.07654	1.5
164.01192	1.1
164.08418	0.9
165.01942	0.6
165.05527	0.5
177.05537	1.5
178.06392	2.0
179.07152	29.5
180.07513	1.5
181.98631	0.5
187.03946	0.5
189.05598	4.6
190.06377	1.4
191.05470	0.5
191.07181	7.4
192.07930	17.1
192.09683	0.8
193.08554	1.4
205.04965	0.8
205.08743	1.8
206.05853	20.4
207.06645	83.8
207.10252	72.0
208.07068	5.6
208.10545	4.1
214.68343	0.4
221.06039	0.8
221.08176	14.5
221.10277	0.9
222.08875	3.8
223.09552	0.7
244.70847	0.5
244.73212	0.5
252.47206	0.5
253.99754	0.5
301.10678	0.5
327.12302	0.8
329.10324	4.6
330.11096	31.1
331.11398	2.9
345.13446	60.9
346.13718	4.7
464.52838	0.5
474.14828	0.9
489.18063	0.8
492.16214	4.1
507.18692	45.4
508.18942	5.7
534.17383	3.3
534.71393	0.5
535.18060	0.8
549.19714	25.3
550.20038	3.7
589.22943	5.7
590.23315	0.8
591.21301	0.5
651.23077	10.4
652.23303	1.8
669.24078	40.7
670.24487	7.4
711.25214	24.7
712.25507	5.0
751.28461	6.6
752.29242	1.0
813.28430	27.2
814.29089	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	811.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.00571	0.7
58.59013	0.5
59.01094	0.6
59.01382	12.8
61.98805	0.7
67.44239	0.4
69.03456	2.2
71.01384	4.6
71.05019	0.5
71.72706	0.5
73.02951	0.9
77.22625	0.4
83.01370	0.9
83.05025	0.8
85.02950	1.5
85.06602	0.8
86.09713	0.4
87.00864	1.0
89.02444	3.9
93.03455	0.6
95.05016	0.9
97.06622	0.8
101.02465	5.4
107.74519	0.5
109.06620	1.0
111.07452	0.7
111.08172	9.1
113.02448	2.8
119.03506	1.3
125.02453	0.8
125.09752	0.6
127.07674	0.7
135.11862	0.5
141.09261	0.7
143.03432	0.5
149.09740	1.0
151.04057	0.5
151.11282	0.6
153.09224	0.6
153.12862	1.2
158.08031	0.5
161.04558	2.1
161.22760	0.4
167.10793	3.6
169.12338	4.4
177.12886	0.8
177.76645	0.5
179.05630	1.4
179.10783	2.0
179.14397	2.4
181.12350	1.3
191.05592	0.6
195.13910	8.8
197.11841	53.0
198.12160	3.5
199.13408	3.6
205.12344	8.5
206.12695	0.8
207.10248	0.9
209.11798	1.8
211.13399	6.8
212.13715	0.6
223.13391	100.0
224.13731	6.4
224.27298	0.4
225.11345	1.2
227.12875	1.2
235.08244	4.7
247.20668	0.9
253.09279	19.6
254.09659	0.8
263.20041	2.8
265.18094	0.9
273.18610	0.9
291.19638	18.6
292.20020	1.4
309.20715	63.9
310.21085	6.4
433.20761	2.0
441.21524	0.7
459.22345	11.1
460.22806	1.5
515.33514	1.7
527.28632	1.9
528.28931	0.5
545.29675	5.5
546.30457	0.7
639.33527	0.5
707.41553	0.5
751.42853	4.2
752.43420	0.7
771.79559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
58.59519	0.4
59.01391	2.8
60.86667	0.4
63.02399	1.2
65.00326	17.0
69.82425	1.4
69.82861	1.5
71.01402	1.2
79.38795	0.4
83.01398	6.7
85.02953	0.8
87.00918	0.7
89.02438	1.1
95.01402	0.8
101.02414	0.4
101.73361	0.4
107.01407	24.0
109.02971	1.4
113.02500	0.7
121.02943	0.7
123.00887	1.0
123.04552	6.9
124.01677	2.6
124.04859	0.5
125.02467	26.3
126.02777	0.8
133.02986	2.6
135.04530	2.3
137.02469	0.6
137.09755	4.0
147.04514	0.6
149.02496	2.9
150.02017	0.5
150.03241	13.5
151.00392	100.0
151.04016	19.3
152.01189	14.7
152.04349	1.0
153.01981	2.4
155.10796	28.4
156.11101	1.5
168.26419	0.4
169.01443	2.6
171.04483	0.5
174.03268	1.0
175.04012	5.1
176.01207	0.7
177.01936	4.2
178.99881	19.6
180.00487	0.6
181.08681	1.3
185.06116	0.7
187.03920	0.5
189.05634	0.8
191.05623	1.3
193.05106	1.1
193.35689	0.4
198.03183	0.6
199.03995	3.5
199.09772	44.2
200.10130	2.2
201.02055	0.6
209.88052	0.5
215.03520	0.8
216.04347	0.5
217.05051	3.4
223.10004	0.5
241.05069	2.8
243.02934	0.5
257.04517	1.5
259.06079	1.0
267.03027	0.7
275.00235	0.5
275.05569	1.7
284.03745	0.5
285.04037	54.4
286.04382	5.4
297.09805	3.2
302.04343	2.6
303.05112	29.7
304.05475	2.6
323.07782	2.0
361.15039	13.7
362.15390	1.0
431.09756	0.8
449.10892	82.4
450.11261	10.3
506.21930	0.4
577.90582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
61.98845	0.9
65.03989	0.4
66.59847	0.2
68.78016	0.3
71.01398	0.4
71.72263	0.3
81.03459	0.5
83.01402	0.4
87.00904	0.4
88.98858	0.3
93.03461	4.6
95.01419	0.6
95.05038	0.8
96.96023	0.3
99.00886	0.2
101.02422	0.3
105.03506	0.4
108.02192	0.9
109.02962	1.6
109.69505	0.3
116.92886	3.7
121.02963	6.3
122.03757	15.7
123.00890	0.9
123.04607	1.8
124.01695	0.8
125.02459	1.0
132.02184	0.8
133.02956	2.3
134.03773	2.4
135.04553	1.3
136.01668	6.1
137.02473	5.3
138.03284	0.5
139.00452	0.3
139.04041	0.7
139.94730	0.3
145.02950	0.8
146.03748	1.9
147.04520	1.3
148.01645	0.6
149.02464	32.0
149.06065	3.9
150.03241	100.0
151.00461	2.0
151.04036	19.1
152.01132	0.6
152.04716	0.9
153.01944	0.6
153.05615	0.6
154.02763	0.5
159.04515	0.3
161.02440	1.1
161.06105	1.1
162.03217	0.8
163.03984	0.8
164.04814	7.1
165.05585	93.6
166.02734	5.9
166.05908	4.1
167.03471	1.2
173.06235	0.4
175.03998	0.8
177.01927	0.8
177.05588	2.2
178.02737	0.5
179.03525	0.8
179.07158	9.0
180.04303	6.2
180.07533	0.5
181.05077	8.4
182.05583	0.3
183.13913	2.1
184.03828	0.4
187.04060	0.8
188.04721	0.3
190.06392	0.4
191.03571	0.5
191.05638	0.9
192.04308	0.7
193.05086	1.0
195.06638	50.2
196.06992	2.9
201.11409	0.5
203.03471	0.3
204.04277	0.3
205.05066	2.3
206.05678	0.6
207.06601	0.5
208.07213	0.4
209.11861	0.8
212.06940	0.3
219.06656	1.4
220.07364	1.4
221.08156	0.5
223.09755	0.8
227.12984	0.4
242.43633	0.3
253.05193	0.3
258.01599	0.9
266.05865	0.4
268.30524	0.3
273.04025	0.7
277.14462	1.7
289.07227	0.7
301.16617	1.3
315.08704	0.4
325.06979	0.4
329.10355	0.6
371.11044	0.4
373.12698	0.3
386.13614	0.3
387.10489	0.9
387.14612	1.7
388.11356	0.5
402.13086	0.6
403.13983	0.5
416.14545	0.7
417.15570	8.6
418.15781	0.8
423.20346	0.5
471.16443	0.4
529.16467	0.4
535.18298	1.0
550.17883	0.5
551.18768	0.5
564.20093	1.5
565.20837	17.6
566.21173	4.0
577.21173	0.4
595.21893	2.7
596.22119	0.6
612.22253	0.8
613.14093	0.4
613.23096	4.9
614.23053	0.9
619.22308	1.3
667.23462	0.7
668.24463	0.4
713.26227	7.9
714.26453	2.0
725.25696	0.6
743.27271	3.7
744.26910	1.3
761.28461	2.5
762.28430	0.6
773.27509	0.6
791.28882	0.9
809.30133	2.5
810.31653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99844	0.2
69.43130	0.5
69.43536	2.0
80.05055	0.3
84.04550	0.6
84.52535	0.2
94.03023	0.3
95.03783	0.9
96.04590	0.3
96.08201	0.3
96.93336	0.2
98.20573	0.5
104.05066	0.4
106.06654	1.7
112.04107	0.3
120.04635	0.3
121.03008	0.3
122.02529	0.3
122.06152	0.9
123.03279	0.4
124.07697	3.3
129.73492	0.2
132.04584	21.6
133.05396	9.4
134.06177	3.2
136.04048	0.2
138.05627	0.6
148.04070	1.0
150.05637	0.7
165.04346	15.5
166.04688	0.7
175.35008	0.2
176.03523	0.7
176.07225	0.5
177.04364	2.1
178.05145	1.1
184.07744	0.3
186.09279	2.0
191.05565	0.3
197.04446	0.3
198.09332	0.4
209.03313	3.8
213.06641	1.3
214.12404	3.3
215.11902	4.3
216.12225	0.4
226.07509	0.5
227.08240	0.4
229.09802	1.6
240.10278	0.8
241.09857	1.8
243.03104	0.2
255.02669	0.3
255.11404	0.6
257.12958	17.2
258.13358	1.7
265.09760	0.3
271.02576	0.9
283.10898	5.4
284.11230	0.4
300.02783	1.1
301.03589	0.3
301.08511	0.5
301.11948	8.8
302.12274	1.1
327.09982	0.7
345.10941	100.0
346.11273	10.4
346.14911	0.2
463.08862	1.2
477.10211	0.3
499.48505	0.2
519.13184	0.3
557.07434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01385	1.4
65.00330	0.2
68.99810	0.2
70.11357	0.8
71.01385	2.2
71.08532	0.2
72.99301	0.3
73.02937	0.6
75.00872	1.5
81.03458	0.5
82.84090	0.2
83.01376	0.5
85.02956	2.3
87.00879	0.6
88.93829	0.2
89.02441	0.3
91.01904	0.6
95.01393	0.5
95.05019	0.2
99.00888	1.1
101.02435	0.6
104.61124	0.1
109.02950	0.2
111.68779	0.1
113.02463	2.3
115.03357	0.1
117.01977	0.2
121.02971	7.5
121.10253	4.1
122.03271	0.3
122.10533	0.2
123.00900	0.2
123.04577	0.2
123.08179	6.3
124.08504	0.3
125.02496	0.3
132.20461	0.1
135.04533	0.5
136.05299	0.6
147.08157	0.5
149.06058	0.2
150.06801	0.1
151.00426	0.2
151.04063	0.2
163.97685	0.2
164.08397	0.1
165.09222	100.0
166.08150	0.3
166.09561	5.9
175.02536	0.2
175.04056	0.5
191.07146	7.9
192.07512	0.6
199.04022	0.4
207.10327	0.3
209.08206	2.2
217.05048	0.1
231.05153	0.4
241.14357	0.2
243.02982	1.4
244.03294	0.2
249.06158	4.4
261.04007	2.8
262.04413	0.2
304.26498	0.1
371.09698	8.9
371.13580	75.4
372.10022	1.2
372.13910	8.5
403.19482	0.2
418.03778	0.2
435.09167	1.1
520.40466	0.2
664.85846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.00581	0.5
59.01089	0.5
59.01378	8.8
67.01885	1.1
68.99809	1.4
69.03447	1.0
69.38999	3.1
71.01385	10.0
72.99313	2.6
73.02943	1.1
73.36730	0.3
75.00882	10.8
81.03463	0.9
83.01384	1.2
84.02179	0.4
85.02961	14.3
86.03279	0.4
87.00883	3.3
89.02445	2.3
91.04047	0.5
93.03467	1.3
95.01402	4.2
99.00891	6.3
101.02430	0.5
103.00368	1.1
109.02961	0.8
111.00893	0.9
113.02464	14.2
114.02802	0.5
115.00377	1.3
117.01944	1.9
121.02971	56.9
121.10276	2.3
122.03307	2.1
123.04543	0.4
123.08187	3.7
125.02480	0.6
129.01964	1.0
131.05003	0.6
136.05319	0.5
136.10165	0.3
139.00386	0.4
147.10568	0.3
149.02534	0.5
151.00345	0.9
151.04030	0.8
153.19521	0.3
157.01471	0.5
157.02946	0.4
165.09225	57.6
166.09575	2.8
173.06105	0.9
175.02473	1.3
175.04018	1.9
177.01904	0.6
189.04059	1.0
190.13354	0.3
191.07129	4.0
193.05064	0.5
199.04024	2.6
200.04181	0.4
209.08142	1.5
217.05055	1.3
221.34497	0.3
231.05115	3.5
243.02956	9.1
244.03374	0.7
249.06149	33.9
250.06549	1.7
261.04025	15.7
262.04300	1.1
353.08762	0.7
358.10342	0.3
371.09830	100.0
371.13654	34.8
372.10120	8.7
372.13980	4.0
375.07468	0.6
435.09293	7.4
436.09680	1.0
464.92795	0.3
480.02118	0.3
736.01447	0.3
790.23029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
69.03465	0.3
69.66710	1.0
69.67132	1.0
70.51137	0.2
71.05013	0.8
76.85964	0.2
79.01907	0.8
82.19621	0.3
85.06605	0.4
95.05033	0.3
97.02917	0.3
97.06619	0.3
99.08157	0.6
107.05070	0.7
111.04534	3.5
115.33167	0.3
121.06588	0.7
123.04530	1.4
123.08174	2.4
125.06083	2.2
125.09724	0.3
135.08180	0.4
137.02425	0.3
137.09738	5.9
138.03249	0.3
141.09190	0.3
149.09764	0.8
151.04019	5.4
152.04790	0.4
155.10783	0.4
163.03998	0.5
163.11269	2.2
164.08440	0.4
165.02042	0.4
165.05586	1.6
165.09262	0.4
166.02681	0.4
175.11401	0.3
177.01924	0.4
177.09221	1.2
179.03513	1.3
179.10770	0.9
180.01909	0.2
180.04318	3.4
181.12346	0.6
189.05502	0.3
191.03511	0.3
191.10771	0.9
193.05101	0.4
193.08693	0.7
193.12318	0.7
203.07155	1.9
205.12337	0.4
207.06671	3.2
207.10297	0.4
208.07385	1.3
209.08142	0.4
217.08723	0.6
221.08194	54.1
222.08911	14.9
223.09425	0.9
233.08174	2.2
235.09753	24.2
236.10385	3.7
243.17566	0.3
247.09917	0.7
247.16954	0.5
249.11324	2.1
249.14978	0.4
261.11304	0.3
263.16599	0.5
273.14835	0.4
275.12787	0.4
287.12784	0.3
289.14438	0.8
291.15976	2.0
303.16077	0.8
313.21790	0.9
317.13977	0.3
317.17603	0.3
331.22845	0.6
343.19183	0.5
357.20609	0.4
359.18637	0.8
360.19379	1.1
361.20184	16.2
362.20541	1.7
374.20865	0.5
375.21774	58.9
376.22098	6.9
385.27509	0.6
402.34644	0.3
429.26459	100.0
430.26797	14.4
443.28052	22.1
444.28448	3.3
531.69531	0.3
541.20026	0.3
642.07135	0.3
805.48792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01382	1.6
60.44955	0.1
61.98835	2.2
67.68528	0.1
69.03472	0.7
69.50673	0.4
69.51096	0.8
70.81481	0.1
71.01392	1.0
71.05022	0.7
78.95916	0.3
80.02694	0.1
80.96532	0.8
81.03474	0.2
83.01379	0.2
83.05059	0.3
83.35276	0.1
85.02961	3.2
87.08283	0.1
94.90422	0.1
94.98132	0.2
95.01398	1.0
95.05028	0.4
96.02198	0.4
97.02962	0.8
97.06614	0.4
98.03779	0.2
99.04531	0.3
99.08170	2.0
100.15813	0.1
101.06116	1.1
108.02169	0.2
109.02990	0.3
109.06612	2.1
111.04501	0.2
111.08194	0.2
113.02463	1.2
119.05042	0.2
121.02959	0.2
122.03740	0.3
123.04551	0.2
123.08195	0.2
125.02477	0.3
125.06104	4.1
125.09731	2.2
127.02129	0.1
127.07700	0.9
135.04523	0.2
135.08192	0.3
136.05292	0.1
137.02458	0.2
137.06123	0.3
137.09776	0.3
138.06883	0.5
141.09174	0.1
148.01682	0.1
149.02458	0.2
149.09738	0.2
150.03220	0.3
151.04027	0.3
151.07680	0.4
153.09239	3.7
154.09578	0.1
155.07191	0.2
155.10858	0.2
158.02173	0.2
163.03972	0.1
163.11281	0.2
164.04790	0.5
164.08463	0.2
165.09227	0.2
169.08736	1.4
175.11386	0.2
177.01936	0.5
177.05524	0.2
177.09178	0.2
179.07150	1.3
179.10893	0.3
180.07701	0.2
181.08704	0.3
182.33675	0.1
186.23338	0.1
191.03517	1.6
191.07147	0.2
192.04085	0.3
192.07922	0.2
193.08694	0.2
193.12321	1.3
195.06631	1.2
197.08203	19.4
198.08516	1.0
204.11563	0.5
205.05208	0.2
205.07118	0.2
205.08728	1.8
206.09489	1.8
207.10144	0.4
209.08147	0.4
217.15930	0.1
221.08176	0.2
222.08914	0.3
225.00830	0.2
229.12442	0.2
232.31831	0.2
233.08238	2.3
234.08800	0.3
235.09767	0.3
237.07677	0.2
238.08450	0.2
243.13831	0.2
247.13385	1.3
248.10545	5.0
248.13232	0.3
249.10944	0.4
261.14929	0.2
265.14441	3.4
266.14767	0.4
271.02518	0.1
275.12994	0.2
289.14441	0.2
290.15186	0.6
291.19702	0.6
313.18143	0.3
319.15363	0.3
329.21140	0.9
331.19144	3.2
332.19611	0.4
345.20776	1.1
347.18536	0.4
347.22342	1.1
348.19196	0.2
348.22955	0.2
349.20145	0.7
355.19327	0.3
373.20215	12.4
374.20572	1.4
376.18744	0.3
391.21274	100.0
392.21600	11.8
445.08047	0.4
598.19702	0.1
805.41644	11.2
806.42004	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	805.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.00599	0.7
59.01382	14.4
61.98826	1.8
68.99831	0.2
69.03465	1.5
71.01387	14.6
72.99301	1.6
73.02949	1.9
75.00885	0.4
78.95908	0.3
80.02682	1.2
81.03467	2.1
82.95438	0.4
83.01393	1.5
83.05035	5.9
84.02180	0.8
85.02964	3.4
87.00890	3.5
87.79256	0.2
89.02457	12.7
91.03992	0.2
93.03475	0.4
95.01412	1.0
95.01913	0.2
95.05042	0.9
96.96022	1.1
96.96974	0.4
97.02966	2.3
97.06631	0.3
98.95581	0.2
99.00896	1.0
101.02457	11.0
102.02788	0.3
106.88715	0.2
107.05056	0.2
109.02988	0.4
109.06598	0.6
111.04543	0.5
113.02467	6.4
114.02782	0.2
114.93429	0.5
115.04016	0.3
116.92877	0.8
119.03521	3.2
121.02975	0.3
123.04489	0.2
123.08240	0.3
124.01575	0.2
125.02464	5.1
125.06111	0.6
125.09738	0.3
127.04063	0.3
131.03516	0.5
133.05087	0.3
135.08177	0.7
137.02481	0.3
139.04037	0.5
141.01994	0.4
141.09274	0.2
143.03540	1.8
149.04604	0.3
150.03169	0.2
151.04054	0.3
151.11290	0.4
153.09206	0.3
153.12849	0.9
161.04591	3.2
163.11310	4.5
164.11626	0.3
165.12875	2.6
167.03548	0.5
169.05064	0.2
169.12364	5.4
170.12756	0.2
171.10304	0.9
179.05611	4.0
179.10783	0.9
180.05969	0.2
181.12332	0.8
185.04597	0.2
191.05676	0.3
191.10876	0.9
197.11845	71.9
198.12181	4.7
199.06145	0.5
199.13437	1.1
201.11325	1.8
207.10283	0.4
209.11841	100.0
210.12167	6.9
210.14171	0.3
211.13451	0.5
217.07175	0.7
219.05019	0.2
220.23354	0.2
221.06668	1.2
223.13390	0.8
225.11382	0.7
227.12900	15.2
228.13170	0.8
229.14490	0.3
235.08212	3.9
235.13358	0.5
236.08583	0.3
251.12885	0.5
253.09319	1.3
259.08240	0.5
263.07733	0.4
287.07663	1.5
299.01920	0.2
305.08780	2.0
323.09811	1.2
374.65115	0.2
379.12460	7.3
380.12405	0.4
389.23383	0.4
397.13528	34.9
398.13861	3.0
407.24417	0.3
415.14584	8.4
416.15060	0.6
577.25238	1.7
589.24878	0.8
590.26111	0.2
595.26154	1.9
607.25903	2.2
608.26617	0.5
743.36096	0.2
769.36743	1.1
787.37585	1.1
805.38354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
58.00571	0.5
59.01384	5.4
62.24647	0.3
63.02375	0.3
63.64300	0.4
64.85087	0.4
65.00327	0.4
67.03298	0.3
69.03468	1.6
71.05033	0.5
71.71908	0.7
71.72276	0.4
72.99313	10.1
74.52770	0.4
75.00882	19.1
76.01218	0.5
77.17609	0.4
83.01403	0.9
83.05021	1.0
85.02956	1.1
87.00907	0.4
87.04510	1.5
89.02458	1.3
93.03461	1.0
95.05029	0.4
100.85389	0.4
101.02457	0.6
102.94047	0.3
103.00378	0.4
107.01400	1.0
107.05022	0.6
109.06623	1.0
111.04543	0.9
113.02461	0.4
113.87153	0.3
121.06586	0.4
125.02463	1.9
133.02875	0.3
135.04526	1.1
143.04979	0.4
146.64314	0.4
149.02470	0.4
151.00423	2.9
151.04088	0.4
151.07681	3.0
153.02025	0.4
161.02449	0.6
162.03285	0.4
163.04118	0.5
165.01907	0.4
165.12885	2.8
173.04503	0.4
178.99843	0.6
179.03542	0.5
179.14410	1.0
186.06898	0.5
187.03973	0.8
191.05617	11.0
191.10788	0.5
192.05954	1.2
195.04842	0.8
195.06638	13.5
195.13847	0.5
196.06929	0.6
209.11905	3.2
211.03989	0.9
213.05562	0.4
215.03500	0.8
223.13319	1.2
227.03508	25.0
228.03827	2.3
229.05078	1.1
229.08701	1.4
239.12956	2.4
240.13214	1.2
241.14438	2.0
249.11180	0.4
255.02982	36.7
256.03558	6.2
257.04474	0.9
267.12357	13.4
268.12680	0.9
282.40192	0.5
283.02469	0.5
283.11890	2.6
284.03265	48.2
284.12186	1.5
285.03955	15.7
285.13434	42.7
286.04471	0.8
286.13782	4.0
300.02826	0.7
301.03452	0.5
327.05072	1.2
327.14709	0.5
353.09189	0.4
357.11832	2.2
387.16086	0.4
419.09970	0.9
433.08023	0.6
440.21439	0.4
446.17328	0.7
447.09280	100.0
447.18701	46.5
448.03644	0.8
448.09689	13.1
448.18979	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	805.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.34311	0.2
61.98818	0.7
63.02392	0.5
65.00321	1.5
69.39409	1.8
71.01369	0.3
72.19038	0.1
80.96529	0.4
81.33360	0.2
83.01392	0.9
89.02443	0.2
92.94741	0.2
93.03459	0.3
95.55631	0.2
96.96010	0.4
98.20695	0.3
101.02438	0.2
105.03472	0.4
107.01405	2.6
109.02927	0.3
113.02436	0.2
115.57872	0.1
121.02938	0.6
121.52414	0.2
125.02437	0.6
132.02191	0.2
133.02971	12.1
134.03333	0.4
135.04518	0.3
137.02451	0.2
139.36353	0.2
142.91827	0.2
149.02440	2.0
151.00394	5.2
151.03993	0.4
152.00752	0.3
155.05124	0.2
161.02493	0.2
163.23595	0.2
168.05688	0.2
169.06647	0.2
171.04518	0.4
173.06059	0.2
174.03148	0.2
175.04027	3.0
176.04237	0.2
183.13698	0.2
184.31384	0.2
185.06125	0.3
187.04024	0.2
189.05528	0.3
191.05627	0.7
195.04599	0.2
197.06036	0.3
198.03218	0.4
199.04012	2.5
200.04492	0.2
201.01991	1.0
209.11913	0.3
210.12181	0.3
213.05579	0.5
214.02731	0.2
215.03529	0.5
217.05077	1.6
223.04036	0.2
224.73936	0.2
227.12971	0.3
229.05099	0.3
241.05058	0.9
243.02998	1.1
255.02892	0.2
257.04575	0.4
261.03925	0.3
267.02985	0.2
285.04037	100.0
286.04376	8.2
289.07141	0.2
299.01785	0.2
301.03436	0.9
341.06747	0.2
352.96255	0.2
415.10489	0.3
463.22098	0.3
503.12344	0.5
596.59796	0.2
804.35596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.5
69.60601	3.2
71.05030	0.6
98.20644	0.7
99.08157	0.5
123.04539	1.1
125.06095	4.2
137.09767	0.9
138.03162	0.7
144.28595	0.4
149.02444	0.5
151.04030	6.3
152.04773	0.6
163.03978	0.5
164.04773	0.5
166.02718	1.1
177.01947	1.2
178.43806	0.4
179.03535	1.2
180.04292	5.2
183.25375	0.4
191.03499	0.9
191.10794	0.6
205.12405	0.5
207.10294	1.4
217.08678	2.4
219.10181	0.6
220.11314	0.4
221.08212	3.7
222.08922	2.3
223.09630	0.6
233.08189	2.5
233.15347	0.7
235.09755	64.3
236.10439	13.4
237.10883	0.5
247.09738	3.4
248.10391	0.6
249.11310	4.9
261.11316	0.8
275.13141	0.7
275.16489	2.5
313.21509	0.8
315.23300	1.7
341.21182	0.7
357.20789	0.5
359.22275	54.6
360.22589	5.9
373.20129	0.9
374.20795	0.7
399.29047	0.7
404.79712	0.4
443.28043	100.0
444.28354	16.0
455.54346	0.4
671.25555	0.5
803.51208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
57.72363	0.3
58.00607	1.1
59.01083	0.7
59.01381	12.8
61.98840	4.6
67.01880	0.5
69.03463	2.1
70.58573	1.3
71.01388	27.0
71.05016	0.6
72.01716	0.6
72.99309	1.7
73.02960	5.1
75.00877	0.7
76.84190	0.3
78.95921	1.1
79.95789	0.3
80.02666	1.8
80.96550	0.3
81.03472	3.7
83.01402	6.7
83.05035	8.7
84.02180	3.9
85.02952	4.7
87.00896	3.2
88.98843	0.5
89.02457	7.3
91.04014	0.5
93.03480	1.1
95.01403	1.5
95.05043	2.9
96.96019	3.3
96.96982	1.0
97.02959	3.2
97.06611	8.4
98.06934	0.3
99.00919	1.7
99.04531	1.2
101.02460	10.5
106.04208	0.4
107.01424	0.3
109.02977	0.7
109.06619	6.6
110.03733	0.7
111.00910	1.0
111.04546	1.0
111.08176	0.9
113.02477	6.1
113.06107	0.5
116.92900	1.4
119.03521	1.5
119.08704	0.5
121.06612	0.9
123.04540	0.8
123.08191	1.1
125.02478	2.0
125.06102	1.3
125.09750	10.2
126.10109	0.5
127.07727	0.4
127.11308	2.7
129.01917	0.4
131.03519	0.4
132.86746	0.3
133.01472	0.6
133.05075	0.7
133.06590	0.4
135.08180	3.0
137.02444	0.6
137.09729	1.8
139.07683	0.9
141.01955	0.5
142.02684	0.4
143.03540	2.1
145.05116	1.1
147.11859	1.0
149.04614	0.4
149.09787	0.6
151.04073	0.5
151.11317	1.0
153.09247	0.9
153.12881	0.7
155.10788	1.7
161.02524	0.4
161.04584	4.5
161.09750	0.8
163.07710	0.6
163.11317	12.1
164.11702	1.0
165.01942	0.4
165.09215	0.6
165.12878	4.6
167.10840	0.9
167.14343	0.3
169.12318	0.5
171.10292	62.2
172.10628	2.8
173.09747	0.3
175.11325	0.5
179.05641	1.5
179.10811	1.4
181.12379	3.6
182.12766	0.4
183.10284	0.9
183.13918	1.6
185.11861	4.6
187.06056	0.3
187.09738	0.3
189.09271	1.9
191.05695	0.4
191.10809	5.4
193.12352	8.6
194.12677	0.6
195.13921	0.4
197.11868	2.6
197.15437	0.6
199.09793	1.1
199.13455	1.1
201.11342	21.2
202.11702	1.1
207.10287	21.9
208.10556	1.6
209.11847	100.0
210.12186	6.6
211.13403	12.2
212.13785	0.5
215.12932	2.2
221.11815	1.0
223.09795	0.4
223.13281	1.7
225.11349	41.5
225.14848	14.5
226.11902	5.8
226.15398	1.0
227.12903	9.9
228.13304	0.8
235.08224	10.6
235.13387	0.7
236.08545	0.6
237.11215	0.4
238.12015	0.4
239.12891	1.4
241.14459	35.5
242.14810	2.9
243.12337	2.7
243.15997	6.4
244.16335	0.6
253.09296	25.5
253.14549	1.2
254.09653	1.4
289.18097	1.5
291.19766	1.4
295.10452	1.3
305.21246	0.9
309.20602	0.4
321.20746	5.4
323.22382	1.4
340.46820	0.3
341.23352	90.2
342.23676	9.9
397.13763	1.6
405.17856	0.3
407.19205	1.1
443.19080	2.0
461.20319	7.6
462.20468	0.9
479.21332	1.1
495.33301	1.8
507.33029	0.6
525.34290	0.8
531.32959	0.5
577.32703	1.7
591.26318	0.5
605.98737	0.3
609.28003	0.5
652.05957	0.4
767.41992	0.5
785.43933	3.5
786.44147	1.4
803.44330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00594	1.2
59.01380	14.2
61.98830	10.1
62.53752	0.4
67.01909	0.6
68.82587	0.4
68.99844	0.8
69.02655	0.4
69.03465	3.3
69.49849	4.1
71.01386	62.0
71.05025	1.2
72.01727	0.4
72.40952	0.4
72.99339	1.1
72.99789	0.4
73.02954	5.7
75.00907	0.5
78.95911	0.9
79.95754	0.5
80.02687	1.8
80.96519	0.9
81.03471	3.6
83.01392	6.0
83.05036	7.8
84.02171	2.9
85.02952	5.7
87.00881	4.3
89.02459	8.5
91.04043	0.8
93.03411	0.4
95.01413	0.9
95.05045	3.2
96.96008	3.1
96.96996	1.1
97.02973	4.2
97.06603	9.6
98.06899	0.5
99.00886	2.1
99.04545	0.8
101.02454	11.0
104.14123	0.4
107.05057	0.5
109.02964	0.5
109.06609	10.8
110.03777	0.9
111.00896	1.3
111.04550	0.8
111.08175	1.5
111.20221	0.4
113.02472	5.5
116.92837	0.7
119.03542	2.1
119.08702	0.7
121.06625	1.1
123.04563	0.9
123.08192	1.0
125.02460	2.4
125.06085	0.8
125.09734	9.3
126.10169	0.5
127.07690	0.6
127.11320	1.9
128.03537	0.5
128.90196	0.6
129.01996	0.5
135.08199	2.9
137.02403	1.0
137.09734	1.6
139.07648	0.9
142.02692	0.6
143.03535	2.2
145.05109	1.5
147.11835	0.8
149.04553	0.5
149.09732	1.1
151.04118	0.6
151.11327	1.3
153.09203	1.2
153.12843	0.4
155.10803	1.4
161.04597	4.0
161.09775	1.0
163.11302	11.9
164.11621	0.8
165.09215	1.0
165.12881	3.8
167.10791	0.7
169.12395	0.9
171.10287	63.5
172.10625	2.9
173.09744	1.0
175.11327	0.7
177.12875	0.6
179.05643	1.3
179.10674	1.0
181.12424	4.1
182.16766	0.5
183.13873	2.0
185.11870	4.2
187.09688	0.5
189.09251	1.7
191.10823	4.9
192.11159	0.5
193.12349	10.9
194.12677	0.9
197.11868	3.9
197.13567	0.6
199.09825	1.7
199.13393	1.4
201.11343	19.4
202.11649	1.0
207.10280	28.9
208.10640	2.1
209.11847	76.6
210.12192	4.8
211.13420	21.8
212.13736	1.4
213.11282	0.6
215.12971	2.2
221.11862	1.4
223.13359	2.2
225.11353	41.8
225.14854	16.4
226.11877	5.1
226.15288	0.8
227.12881	7.1
235.08240	10.0
239.12904	1.1
241.14467	31.6
242.14897	2.5
243.12375	3.5
243.16077	7.5
244.16344	0.6
253.09288	28.1
253.14430	1.0
254.09685	1.3
289.07309	0.5
289.18066	1.5
291.19559	1.2
295.10165	2.4
300.99310	0.5
305.21326	1.0
321.20807	3.9
323.22290	1.3
341.23346	100.0
342.23666	12.0
360.43219	0.5
361.11765	0.4
379.12903	0.5
397.13474	3.6
402.09921	0.5
407.19052	1.3
415.14633	1.0
443.19141	2.4
461.20267	7.7
462.20523	1.2
479.21301	1.4
495.33365	1.8
496.33725	0.5
525.34235	0.8
531.33594	0.7
550.34320	0.5
559.31097	0.7
577.32281	1.9
591.26477	0.7
609.27722	1.4
785.43396	5.2
786.43793	2.1
803.44476	2.4
804.36469	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	803.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.01377	10.7
61.98832	32.2
69.03459	2.2
71.01388	36.6
71.05019	1.2
71.72168	1.3
72.99331	0.8
73.02959	3.5
74.36710	0.8
78.95904	1.2
78.98604	3.0
79.95748	13.0
80.02691	2.8
80.96523	34.2
81.03481	3.4
83.01401	2.8
83.05029	7.8
84.02177	1.5
85.02982	6.0
87.00879	5.4
88.98817	1.0
89.02451	6.0
90.88940	0.7
93.03469	1.3
94.98101	7.2
95.01411	1.9
95.05034	3.7
96.96028	2.0
97.02971	5.6
97.06599	4.4
99.00903	2.6
101.02450	10.4
106.98100	1.0
107.05049	1.4
109.02941	0.7
109.06603	7.3
111.00889	1.0
111.04528	1.8
111.08195	2.6
113.02465	4.5
116.92870	1.9
119.03532	1.9
121.06652	1.0
122.97620	1.9
123.04531	2.0
123.08144	1.2
125.02455	3.4
125.06140	1.0
125.09753	5.1
127.11298	1.0
134.97638	2.3
135.04532	1.7
135.08182	1.8
136.05293	0.8
137.02440	1.3
137.06133	0.8
137.09738	2.2
145.05113	1.6
148.99158	3.3
151.11299	1.8
152.98634	2.9
153.09306	1.0
155.03506	1.2
155.10812	1.2
157.94957	0.8
161.04645	3.9
161.09763	1.5
163.11301	12.8
164.11649	0.9
164.98636	4.6
165.12865	5.7
167.10791	1.4
169.12354	2.2
171.10289	26.4
172.10678	1.5
179.03455	0.9
179.05621	0.9
179.10808	1.3
181.12357	5.4
183.10225	0.8
183.13893	0.9
185.11862	5.3
191.05672	1.0
191.10823	2.6
191.14455	2.2
192.23116	0.8
193.12315	1.0
197.11844	16.4
197.13516	1.3
198.12192	1.0
199.09802	1.1
199.13455	3.3
201.11304	11.4
201.12952	1.2
206.99748	1.1
207.10271	22.7
208.10707	1.3
209.11845	100.0
210.12198	6.9
211.13402	7.1
215.12854	2.2
221.11920	1.0
223.13394	1.0
225.00722	8.6
225.11342	27.0
226.11673	1.8
227.12910	14.5
228.13199	0.7
235.08234	5.3
241.14510	0.7
242.02231	1.1
243.12314	2.7
245.19107	6.9
253.09268	19.2
254.09689	1.0
259.15515	1.0
263.20111	3.9
283.05026	1.8
287.16519	0.9
289.18091	17.0
290.18472	2.1
291.19669	15.0
292.19928	2.4
305.17627	1.3
307.19144	15.8
308.19424	2.2
309.20715	33.2
310.21042	3.3
311.09241	1.4
341.05865	1.1
341.23193	0.8
355.07574	1.0
388.10452	0.8
397.13309	1.7
417.14844	2.0
418.15591	1.6
443.19312	1.8
445.20746	1.0
461.20258	3.9
479.21182	1.0
509.16711	1.4
538.25079	1.0
624.31537	0.9
687.32709	1.1
753.40686	3.3
754.41742	1.9
771.41827	1.1
803.39111	39.0
804.37402	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	803.367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
57.27747	0.2
59.01377	1.5
61.98833	1.4
69.03458	0.2
71.01385	1.5
73.02930	0.3
78.95910	0.4
80.96522	0.3
83.01385	0.3
85.02953	0.5
87.00867	0.4
87.40903	0.2
89.02451	0.7
96.96012	0.6
97.02956	0.3
98.19836	0.5
98.29148	0.2
99.00867	0.2
99.11536	0.2
101.02482	1.0
101.06092	2.5
109.02959	0.6
111.00877	0.3
113.02481	0.6
116.92898	0.2
123.04522	0.3
124.01736	0.3
125.02466	1.1
135.04556	0.2
137.02440	0.7
137.06140	0.2
138.03188	0.6
139.04033	1.6
144.00627	0.3
151.04036	1.2
152.04729	0.2
153.01961	2.3
153.05592	0.6
163.04077	0.2
163.11299	0.3
163.12685	0.2
164.04700	0.3
166.02765	1.3
167.03519	3.0
168.04305	8.1
169.04608	0.2
171.10292	0.6
179.03519	1.2
181.05087	3.0
183.13895	0.7
191.05678	0.3
194.03592	0.2
197.11845	0.5
207.10271	0.5
209.04541	4.7
209.11823	1.3
210.05106	0.4
211.06160	0.2
211.13416	9.5
212.13718	0.6
215.12921	0.3
225.11333	0.4
235.09915	0.3
237.11211	0.4
241.14482	0.4
253.09328	0.5
258.01514	0.2
261.15024	0.4
263.09210	1.3
264.09976	1.1
265.10748	0.3
271.02521	0.2
272.03094	0.2
275.12894	0.3
277.14462	3.0
278.14905	0.3
279.12415	0.7
283.02612	1.0
293.13910	3.0
294.14099	0.3
303.12357	1.5
304.13089	0.4
307.11749	0.3
321.13474	3.8
322.14212	79.4
323.14563	8.0
327.08737	4.2
328.08981	0.4
341.23145	0.4
379.12494	0.3
391.21240	2.8
392.21368	0.2
397.13522	1.9
406.20041	2.6
415.14450	0.3
432.50421	0.2
443.88092	0.2
475.27008	100.0
476.27350	17.1
591.26361	0.5
609.27667	0.3
620.45184	0.3
647.48779	0.2
803.39050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45357	0.1
57.03442	0.5
59.01382	1.0
60.72599	0.1
60.99307	1.2
61.98830	0.2
65.00329	0.3
67.01893	3.5
69.03456	0.9
69.58457	0.9
70.87535	0.1
71.01390	1.6
72.99313	0.1
73.02939	0.3
81.03465	0.8
83.01397	0.2
83.05029	0.5
85.02436	0.2
85.02959	4.5
87.00885	5.5
89.03979	0.2
93.03470	24.8
94.03774	0.8
95.01405	0.2
98.19857	0.2
99.00895	0.5
99.04516	0.5
101.02463	0.2
107.01417	0.2
109.02974	0.9
111.04543	3.4
113.02483	0.3
114.64399	0.1
115.00473	0.2
115.04001	0.2
117.03464	0.7
121.02957	0.2
124.01673	0.2
125.02442	0.9
126.02728	0.1
127.04037	1.3
129.01959	0.7
131.05038	0.4
133.02942	0.3
134.03763	7.3
135.04475	0.5
137.02477	0.4
143.03551	0.2
147.04448	0.1
149.06082	0.7
151.00430	0.7
151.04013	0.4
153.01955	0.3
155.03516	0.7
155.05043	0.2
160.01668	0.3
163.04118	0.2
171.03029	0.4
173.04579	7.9
173.06044	0.6
174.03299	0.2
174.04938	0.4
175.04016	1.8
177.01976	0.4
178.02641	0.3
179.03517	0.2
187.07632	0.2
191.05626	100.0
192.06001	3.6
193.05058	4.6
194.05429	0.3
199.04068	1.4
200.04413	0.2
201.05313	0.1
211.63892	0.2
217.05051	0.5
217.08749	0.2
243.02977	4.2
244.03351	0.4
249.06102	0.2
255.02942	0.2
259.06116	0.2
261.04028	10.6
262.04477	0.8
266.06061	0.2
285.04126	0.2
295.09784	0.3
301.03241	0.2
339.12506	0.2
353.08862	0.2
367.10349	39.3
368.10706	3.9
371.09836	0.3
375.07202	0.4
435.09305	4.6
436.09695	0.7
449.10269	0.3
637.48883	0.1
803.24072	1.3
804.23187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77031	0.0
61.98831	100.0
62.05846	0.1
62.98534	0.2
62.99247	0.1
68.20404	0.1
69.93060	0.3
71.01409	0.1
78.95922	0.1
79.95753	0.2
80.96500	0.3
92.33172	0.0
98.19964	0.1
104.09890	0.0
207.10310	0.1
209.11903	0.1
225.00769	0.1
246.67943	0.0
253.09430	0.1
268.87122	0.0
277.21738	0.2
278.22104	0.1
785.38281	0.1
802.43201	0.2
803.39557	0.1
810.67645	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98832	100.0
62.65257	0.0
62.98534	0.2
71.01401	0.2
78.95949	0.1
79.95750	0.1
80.96511	0.3
83.04999	0.1
84.75415	0.0
84.95667	0.0
91.32979	0.1
94.98128	0.1
101.02434	0.1
119.25009	0.1
135.57318	0.0
164.98589	0.1
171.10342	0.1
178.31316	0.0
209.11830	0.4
210.12210	0.1
211.13507	0.1
225.00890	0.1
227.12851	0.1
229.58377	0.1
253.09369	0.1
276.92871	0.0
293.21332	0.2
294.21844	0.1
295.23010	0.1
341.23212	0.0
728.42432	0.2
729.42664	0.1
789.68176	0.1
802.37445	0.1
803.38959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01380	3.4
61.98833	66.8
63.96240	2.5
69.03457	1.1
71.01385	11.3
71.04153	0.3
71.72587	0.6
72.99314	0.4
73.02946	2.7
74.72236	0.4
75.00853	0.4
78.95915	2.0
78.98602	7.7
79.95261	0.7
79.95744	17.3
80.96525	96.0
81.03463	1.8
82.88503	0.4
83.01418	0.9
83.05032	1.2
85.02959	4.2
86.57909	0.4
87.00888	4.6
88.98763	0.5
90.84717	0.4
91.25590	0.4
93.03448	0.4
93.39114	0.5
94.98099	20.5
96.96012	2.7
97.02981	2.3
99.00865	0.9
101.02443	4.3
106.98112	3.9
109.02953	0.6
109.06625	0.5
111.04530	1.3
113.02454	1.2
119.03486	0.6
119.05013	0.6
122.97593	4.0
123.04533	0.8
125.02444	5.8
125.06134	0.6
125.09618	0.5
127.04050	1.0
128.03627	0.5
128.74092	0.4
134.97614	6.9
136.99152	1.9
137.02461	1.1
137.09695	0.5
148.99162	8.2
151.00423	0.9
151.04018	1.4
152.98647	7.6
152.99733	0.7
161.02496	0.7
163.04109	0.5
163.11296	0.7
164.00948	0.5
164.98642	15.2
165.01918	0.9
165.12863	0.6
177.02014	1.0
179.03523	0.5
179.05554	0.7
191.05649	3.1
206.99715	4.7
207.10258	0.6
209.11847	9.1
210.12146	2.1
211.13365	0.7
223.09724	1.5
225.00758	28.0
226.00964	0.7
227.12866	0.6
229.05072	0.6
235.09796	2.7
241.01202	0.5
241.14334	0.7
253.14459	1.7
271.06024	0.6
289.07169	0.5
509.16687	0.9
533.12769	0.5
541.19568	5.6
592.26447	0.5
677.35040	1.2
769.33014	1.3
801.36121	100.0
802.36475	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.5
58.00584	0.6
59.01383	11.4
66.45435	0.3
67.01888	0.9
68.99831	1.4
69.03461	1.3
71.01388	17.2
71.71578	0.2
71.72018	0.4
72.01743	0.4
72.99311	3.7
73.02951	1.2
74.15514	0.2
75.00880	12.6
80.16516	0.3
81.03450	0.7
83.01395	1.5
85.02961	20.7
86.03292	0.7
87.00382	0.5
87.00885	7.0
89.02454	5.3
91.04012	1.0
91.05539	6.6
93.03461	2.1
95.01405	4.7
95.05021	0.3
96.01723	0.3
97.02963	0.6
99.00892	7.8
99.04528	0.6
101.02477	1.3
103.00390	2.1
105.03475	0.3
109.02965	1.8
109.06597	0.2
111.00885	0.9
111.04532	0.7
112.01685	0.4
113.02467	24.2
113.06100	0.5
114.02795	0.8
115.00388	1.1
115.04040	0.4
117.01957	2.2
117.03448	2.5
119.03508	0.4
121.02972	9.3
122.03254	0.3
123.04517	0.9
125.02470	6.2
126.02812	0.3
129.01956	1.9
131.03525	0.8
133.02946	0.7
135.04550	7.2
136.04901	0.6
137.02454	1.3
139.00362	0.6
139.04019	0.4
149.02477	0.3
149.04567	0.4
150.03265	0.4
151.00401	0.8
151.04025	1.3
153.01906	0.5
154.17714	0.3
157.01451	0.4
157.12395	0.3
159.04507	0.8
161.02473	2.0
161.04607	0.3
162.02890	0.3
163.03975	0.5
164.01184	0.4
165.01930	0.9
167.03514	0.5
173.04552	0.7
173.06039	0.4
174.03226	0.4
175.02486	2.2
175.04045	1.4
177.01970	2.8
178.99911	0.5
179.03510	0.7
183.03036	0.3
187.04022	0.5
188.04778	0.3
189.01996	0.3
191.05638	9.7
192.05959	0.6
199.04053	0.5
201.05466	0.3
203.03430	0.4
203.07196	0.6
203.12901	1.0
205.07135	0.8
207.03090	0.3
207.05119	1.5
215.03560	0.4
217.04994	0.3
219.02991	0.5
223.08069	0.3
229.01494	0.4
231.05031	1.3
240.04358	0.4
243.02942	1.8
245.04451	0.6
245.08197	0.5
249.06154	21.0
250.06487	1.1
253.49644	0.2
255.02861	0.4
261.04089	1.1
262.04160	0.3
263.07797	1.9
267.07199	60.9
268.07581	3.2
269.04538	0.5
281.04459	0.5
287.05646	0.7
289.07205	1.8
290.07507	0.3
293.04462	0.4
301.03387	0.5
339.05121	0.6
353.08640	0.5
363.12909	0.9
364.13455	0.5
365.13687	0.6
365.18112	4.9
366.18457	0.4
385.11414	100.0
386.11813	10.0
407.07840	0.6
417.09647	0.7
435.10223	0.5
445.17294	0.3
449.08646	0.4
463.06204	0.6
609.16730	1.3
655.13031	0.6
739.16583	0.3
801.21844	0.4
801.35815	0.3
802.20355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.1
59.01378	0.2
61.98832	100.0
62.98533	0.1
65.76866	0.1
71.01406	0.3
71.71674	0.1
71.72092	0.1
78.95930	0.2
79.95753	0.1
80.96515	0.3
83.05038	0.1
94.98096	0.1
101.02461	0.1
113.02421	0.1
125.02480	0.2
125.09722	0.1
137.02470	0.1
151.04076	0.1
161.02615	0.1
171.10330	0.1
185.11871	0.1
197.11800	0.4
207.10339	0.1
209.11865	0.6
210.12305	0.2
211.13445	0.4
212.13736	0.2
225.11311	0.1
227.13007	0.1
237.09282	0.1
253.09320	0.2
273.17157	0.1
289.07343	0.1
289.17978	0.1
291.19702	0.3
292.20105	0.2
293.21112	0.3
294.21512	0.1
307.19058	0.1
309.20813	0.2
310.21378	0.1
404.14566	0.1
477.61697	0.1
734.17560	0.1
800.47699	0.1
801.36938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
58.00585	0.5
59.01381	11.5
65.00335	0.4
67.01885	1.1
68.99813	1.4
69.03456	1.3
70.92812	0.3
71.00991	0.8
71.01385	15.1
71.71241	0.5
72.48592	0.3
72.99312	3.0
73.02961	1.3
75.00880	11.1
79.88485	0.3
81.03472	0.5
83.01398	1.1
83.05038	0.5
85.02960	18.3
87.00887	6.1
89.02448	5.4
91.04005	0.9
91.05540	6.4
93.03469	1.5
95.01389	4.0
97.02970	0.5
99.00247	0.5
99.00888	6.6
99.04565	0.4
101.02448	1.0
103.00378	1.9
109.02959	1.4
111.00902	0.6
111.04533	0.6
112.01685	0.6
113.02464	20.7
114.02793	0.6
114.16586	0.4
115.00384	1.4
117.01959	2.0
117.03489	2.4
121.02969	8.9
122.03307	0.4
123.04541	0.8
124.91425	0.3
125.01591	0.5
125.02457	4.1
127.04010	0.4
129.01945	1.4
131.03502	0.7
135.04535	7.3
136.04892	0.5
137.02435	0.9
139.04088	0.4
149.04576	0.5
150.03285	0.4
151.04005	0.5
157.01453	0.6
161.02458	1.5
163.04123	0.3
165.01968	0.5
173.04535	0.4
174.03256	0.5
175.02490	1.3
175.04022	0.9
177.01970	1.8
179.05612	0.3
183.03012	0.6
189.04088	0.6
191.05627	7.7
192.05948	0.5
201.01926	0.4
203.12961	0.7
205.07141	0.7
207.03259	0.3
207.05103	1.1
221.53262	0.4
231.05121	1.3
240.04150	0.4
243.03033	1.0
245.04645	0.6
249.06157	20.0
250.06544	1.0
255.03047	0.3
261.03986	1.0
263.07651	2.0
267.07196	55.4
268.07547	3.2
272.47263	0.3
279.02679	0.3
281.04434	0.5
282.89215	0.3
287.05655	0.8
289.07153	1.9
290.07513	0.3
339.05054	0.4
353.08630	0.3
365.13986	0.9
365.18231	4.8
367.10739	0.4
385.11404	100.0
386.11768	11.5
400.31686	0.4
417.09933	0.4
435.10092	0.9
445.17282	0.5
446.07208	0.3
449.08670	0.5
463.11475	0.4
532.50696	0.3
609.16034	1.0
728.31067	0.3
739.16351	0.4
758.00879	0.3
801.23193	0.5
801.36346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05128	0.1
59.01371	0.2
61.98832	100.0
62.98542	0.2
63.73736	0.1
63.94256	0.1
71.01395	0.1
71.42247	0.1
74.15723	0.1
76.45795	0.1
79.95749	0.1
80.96531	0.1
88.98866	0.1
89.02479	0.1
96.96036	0.1
101.02470	0.1
125.02491	0.2
137.02492	0.1
170.69078	0.1
183.14120	0.1
191.05730	0.1
209.11836	0.3
210.12236	0.1
227.12851	0.1
289.07236	0.1
303.20203	0.1
783.37256	0.1
786.59436	0.1
800.37634	0.3
801.38940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54191	0.3
59.01382	3.2
61.98836	5.7
66.41502	0.3
70.08343	1.5
71.01393	2.8
71.04996	0.3
73.02943	0.4
80.02681	1.0
80.96526	0.4
81.03452	1.2
83.05035	4.3
84.02176	0.7
84.43623	0.3
85.02940	0.6
89.02457	2.1
95.05045	0.7
101.02454	2.3
109.06567	0.4
111.08173	0.3
113.02478	1.4
119.03544	0.5
119.30251	0.3
121.10268	0.4
125.02407	0.3
125.06087	0.7
135.08195	0.6
145.05116	0.4
161.04608	1.3
163.11301	3.4
165.12843	1.8
166.13266	0.3
169.12367	0.3
171.10324	1.4
179.05560	0.4
179.14439	0.4
181.12437	0.7
183.13927	0.4
188.02010	0.2
191.10780	1.1
195.13899	2.7
197.12001	0.4
207.10284	0.3
209.11842	100.0
210.12184	6.6
211.13377	2.0
223.13379	2.4
225.11172	0.3
227.12901	10.2
228.13342	1.0
235.08224	3.7
239.12865	0.7
241.14262	0.3
253.09291	11.5
254.09708	0.5
275.20160	3.9
293.21225	39.3
294.21579	4.2
341.23523	0.5
445.20798	3.6
446.20724	0.4
503.33621	0.3
529.30188	0.6
574.72607	0.3
607.63074	0.3
670.36652	0.4
799.34338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98832	100.0
62.98533	0.2
70.91911	0.2
71.01395	0.8
72.99330	0.1
73.02976	0.1
78.95908	0.2
79.95757	0.1
80.96520	0.1
83.01406	0.1
83.05042	0.1
85.02980	0.1
87.00894	0.1
87.76028	0.1
88.98835	0.2
89.02467	0.4
89.79717	0.1
93.03490	0.1
95.05086	0.1
96.87657	0.1
96.96043	0.3
96.96976	0.1
97.02979	0.2
97.06568	0.1
99.00887	0.1
101.02457	0.3
106.42041	0.1
109.02982	0.1
109.06610	0.1
113.02454	0.2
116.92915	0.1
123.04604	0.1
125.02427	0.4
125.09837	0.1
125.97275	0.1
135.08318	0.1
137.02432	0.1
140.01170	0.1
149.81798	0.1
161.02448	0.1
161.04590	0.1
163.11285	0.2
165.01944	0.1
166.13635	0.1
169.12376	0.1
171.10309	0.4
181.08707	0.1
181.12352	0.1
183.13934	0.1
191.05641	0.1
197.11885	0.2
207.10287	0.5
208.10558	0.1
209.11827	1.8
211.13376	1.0
211.15083	0.1
225.11365	0.3
235.08234	0.1
253.09288	0.2
287.16568	0.1
305.17783	0.2
327.86017	0.1
341.23483	0.1
379.12323	0.1
391.62952	0.1
397.13522	0.4
661.28320	0.1
698.34338	0.1
783.38458	0.2
800.37988	0.6
801.41803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94084	0.8
58.20007	0.9
59.01383	7.4
61.98832	52.7
65.32742	0.8
68.44078	0.7
69.03460	1.0
69.16273	0.7
69.53358	5.8
69.53773	1.8
71.01385	4.9
77.33056	0.8
78.95933	1.3
80.96513	2.8
83.01421	1.2
83.05035	0.9
85.02985	1.5
87.00877	1.5
87.78835	0.9
89.02469	1.7
94.98110	0.9
101.02469	4.3
109.06594	0.8
111.08164	5.5
113.02457	2.1
121.59023	0.8
125.02482	1.8
153.12877	1.0
161.04585	1.7
169.12329	2.4
183.13966	6.8
191.05623	1.3
193.12321	1.1
195.13966	0.8
197.11845	29.3
198.12218	1.8
199.13425	1.8
209.11839	8.4
210.12270	1.1
211.13400	100.0
212.13763	7.4
223.13463	0.8
227.12895	4.4
235.08205	5.7
253.09291	12.6
263.20068	0.8
273.16849	1.0
291.19620	12.9
292.19962	1.3
293.21274	6.9
294.21613	1.4
309.20718	33.2
310.21097	3.8
447.22314	10.1
448.22479	1.0
503.34140	1.0
527.16333	0.8
527.28461	1.5
545.29431	2.2
739.42767	1.0
740.42780	0.9
799.36096	2.3
800.48059	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	799.4177
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01382	1.1
59.34249	0.6
61.98828	7.8
63.96246	1.9
69.03461	1.2
71.01389	10.7
71.73209	0.7
72.43669	0.6
73.02947	2.1
76.58408	0.6
78.95908	3.3
78.98603	8.2
79.95747	16.3
80.96526	100.0
81.03490	1.2
85.02964	3.5
87.00890	3.4
94.98103	21.5
96.96030	1.5
97.02966	2.1
98.20699	0.8
99.00889	0.8
101.02448	3.3
106.98093	5.1
109.51048	0.5
113.02451	0.6
115.93147	0.6
121.98233	0.6
122.97610	3.7
125.02476	4.3
127.04025	0.9
134.97621	7.0
136.99142	2.7
146.97681	0.6
148.99168	8.7
152.98642	7.8
152.99716	0.9
164.98659	17.4
167.00072	0.7
168.73213	0.5
171.10286	1.2
184.91098	0.6
188.98560	1.0
199.13599	0.6
206.99733	3.9
209.11852	1.6
225.00764	31.9
241.01192	1.1
241.21761	1.3
255.23279	2.5
305.12750	0.6
453.14267	1.8
525.16455	1.6
537.27209	2.0
555.28638	0.7
597.64557	0.6
689.86578	0.6
709.38623	29.2
710.38989	6.7
781.40796	26.0
782.41504	6.4
799.41858	70.0
800.42181	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	799.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.00560	0.8
59.01382	9.3
61.98832	56.3
64.13870	0.6
69.03452	0.8
71.01389	4.2
71.71616	1.2
72.99318	0.9
73.02942	0.9
74.44157	0.8
75.16022	0.7
78.95903	1.2
79.95788	0.6
80.96529	2.1
81.03466	0.9
83.01376	0.7
83.05036	1.0
85.02979	0.9
86.02274	0.8
87.00886	1.4
89.02457	3.5
95.88072	0.7
101.02460	4.1
103.98097	0.7
111.08202	5.4
113.02476	2.3
119.21928	0.7
125.02444	1.7
137.02449	0.8
142.60960	0.7
158.42252	0.7
161.04599	1.4
165.12849	1.4
169.12386	3.7
171.10292	1.1
179.05627	1.3
183.13910	6.6
185.11792	0.9
191.05624	0.9
193.12378	1.4
197.11856	30.0
198.12148	1.6
199.13452	2.1
207.10338	1.4
209.11839	9.1
210.12183	0.8
211.13406	100.0
212.13737	6.8
227.12924	3.3
235.08186	5.8
253.09291	13.8
262.11511	0.7
263.20206	1.4
265.18030	1.3
275.20233	1.3
291.19666	13.0
292.19910	2.1
293.21243	8.2
294.21661	1.3
309.20731	39.2
310.20941	4.3
380.09433	0.7
433.21298	1.5
447.22369	7.5
527.28534	1.4
545.30035	2.4
636.00201	0.9
739.42609	1.8
772.80322	0.7
799.36688	2.0
800.47559	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	799.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01373	0.6
63.02399	0.2
65.00323	1.5
67.01863	0.2
68.99815	0.4
71.01363	0.3
72.99321	0.4
74.68769	0.1
75.00889	0.9
76.56393	0.1
78.04286	0.2
83.01392	1.7
83.05042	0.2
85.02946	0.3
89.02437	0.2
89.03983	0.2
107.01403	2.2
107.05010	0.5
109.02969	1.5
113.02438	0.2
119.05041	0.3
123.04527	0.4
125.02456	2.6
129.03354	0.2
130.04282	0.2
131.05064	2.2
132.05316	0.2
133.03009	1.4
135.00896	0.7
143.04820	0.2
147.04570	0.4
149.02388	0.2
149.06131	0.8
151.00380	4.3
151.04028	2.7
152.00764	0.2
153.01942	0.4
155.05064	1.3
157.02963	1.0
165.19582	0.1
167.03543	0.8
171.04530	0.4
173.06088	3.4
174.03217	0.7
174.06380	0.3
175.04018	8.1
176.04312	0.6
177.01938	2.1
187.04070	0.2
189.05600	0.5
191.03513	0.8
191.05630	1.4
193.05078	1.7
199.04015	11.0
200.04379	0.7
201.01964	1.0
207.02913	0.2
215.03568	0.3
217.05070	4.8
217.07141	0.3
218.05444	0.4
219.03011	0.5
231.02936	0.4
233.04538	0.7
242.02272	0.2
243.02974	39.3
244.03305	3.4
251.39247	0.2
255.12396	0.7
259.02377	0.3
261.04022	100.0
262.04355	7.9
263.09235	0.2
279.45932	0.1
281.10379	1.2
299.11166	0.8
303.04987	0.2
306.07669	0.6
307.08136	0.3
327.34167	0.2
336.71539	0.2
393.08282	28.8
394.08609	3.3
394.13760	0.2
405.08514	0.4
443.15637	0.3
461.16626	2.2
462.16806	0.2
637.21948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.2
61.98832	100.0
62.98538	0.2
62.99252	0.1
69.87080	0.1
69.87502	0.2
71.01388	0.2
73.02950	0.1
73.19440	0.1
79.26599	0.1
85.02946	0.1
88.98810	0.4
89.02449	0.1
90.96924	0.0
98.64641	0.0
101.02466	0.1
122.63973	0.1
123.04624	0.1
125.02515	0.1
125.06074	0.1
131.95674	0.0
137.02451	0.1
146.21028	0.0
151.04076	0.0
157.12355	0.1
171.10248	0.1
207.10333	0.1
209.11928	0.1
211.13364	0.1
221.08237	0.1
225.11250	0.1
248.66608	0.1
401.23691	0.1
781.36243	0.1
799.37909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.18855	0.1
62.98536	0.2
78.95908	0.1
80.96539	0.2
86.90750	0.1
98.20617	0.2
100.85347	0.1
102.30532	0.1
116.92896	0.1
131.32388	0.1
172.27599	0.1
174.25739	0.1
191.05681	0.1
201.57661	0.1
206.34755	0.1
211.13358	0.1
229.47997	0.1
337.69696	0.1
798.40222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
60.93704	0.3
69.64592	2.3
69.65010	0.6
71.01387	11.1
78.73113	0.3
85.02954	5.6
87.00897	1.4
93.03462	2.1
100.18141	0.3
107.05060	1.0
108.02189	24.4
109.02448	0.6
109.03075	0.4
111.04548	1.1
115.00388	7.1
115.47847	0.3
117.03414	0.4
120.99709	0.4
123.04545	15.0
124.04869	0.4
127.04022	1.6
133.02974	2.3
134.03796	3.2
135.04541	43.4
136.04895	1.9
137.02499	0.3
148.49297	0.3
152.01175	34.9
153.01489	1.3
155.03517	1.2
161.02475	3.5
161.57974	0.3
167.03513	100.0
168.03835	4.3
173.04541	2.8
177.01915	1.1
179.03514	46.7
180.03859	2.6
191.05623	83.1
192.05975	3.3
229.66328	0.3
276.71072	0.3
329.08789	40.3
330.09125	4.0
353.08786	81.6
354.09128	7.9
355.41284	0.3
427.09125	0.7
445.09824	5.9
446.10345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01376	0.8
61.38445	0.4
63.96242	1.5
69.03455	0.7
71.01387	9.7
71.05136	1.0
73.02956	2.3
78.98603	7.6
79.95743	15.3
80.96522	100.0
81.03463	1.0
81.96429	0.4
83.01406	0.3
83.05020	0.4
85.02962	3.9
87.00883	4.1
94.98095	21.5
95.01439	0.4
95.97932	0.3
96.96040	1.0
97.02968	1.7
99.00883	0.8
99.04539	0.4
101.02456	3.3
106.98101	4.8
113.02484	0.7
122.97594	4.8
125.02466	4.0
127.04014	1.2
134.97609	6.4
136.99149	2.0
143.03525	0.3
146.97627	0.7
148.99162	9.1
152.98648	8.1
164.98643	17.5
165.98981	0.3
167.00150	0.6
172.03998	0.3
179.00208	0.5
182.99631	0.5
188.98645	0.4
204.68439	0.3
206.99695	4.1
209.11818	1.9
225.00748	31.7
226.01169	1.6
255.23293	2.3
283.04977	0.6
437.26071	0.3
509.16971	0.8
537.27338	2.2
541.19586	3.8
542.19550	0.4
765.41479	0.8
766.41058	0.6
772.54852	0.4
797.43866	92.4
798.44226	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42098	0.2
57.03452	0.3
59.01371	1.5
60.99305	1.4
61.98833	5.3
67.51393	0.2
69.67337	0.2
71.01389	1.7
71.72002	0.2
72.99303	3.3
73.02950	0.5
74.81887	0.2
75.00854	0.3
80.02680	0.5
81.03459	0.9
83.01406	0.3
83.05025	3.7
84.02166	0.6
85.02966	0.5
86.97816	0.2
87.00873	0.2
88.98815	7.1
89.01991	0.2
89.02444	1.3
89.99191	0.4
90.99226	0.4
91.00381	0.2
93.03529	0.2
95.05044	0.4
97.02990	0.3
97.06582	0.2
101.02452	1.4
105.01929	0.3
109.02930	0.3
113.02473	1.2
116.92895	0.3
119.03506	0.3
125.02473	0.5
125.06098	0.6
135.08194	0.5
137.02515	0.5
151.04004	0.3
156.20363	0.2
161.02449	0.2
161.04536	0.7
163.11293	2.7
165.12836	2.1
171.10265	0.9
179.05592	0.4
181.12399	0.4
183.13914	0.3
191.05695	0.4
191.10736	0.6
201.11354	0.2
209.11836	100.0
210.12178	6.5
210.14171	0.4
227.12889	14.2
228.13148	1.2
235.08192	1.7
247.13438	0.4
253.09268	4.0
259.15469	0.7
261.69754	0.2
273.16977	0.3
279.88931	0.2
289.07184	0.4
427.20038	0.2
445.20761	5.5
446.21213	0.7
463.21774	0.4
611.31152	0.3
637.32520	1.4
655.33521	0.6
673.34473	0.6
673.96033	0.2
782.76440	0.3
797.36188	0.6
798.36133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.1
59.01380	0.5
60.99306	17.2
61.98832	1.0
64.72216	0.1
71.01389	1.6
71.10120	0.1
71.10480	0.3
73.02975	0.1
77.51866	0.1
79.61855	0.1
80.21687	0.1
85.02962	0.2
87.00877	0.8
88.00416	1.4
88.01229	0.1
88.98815	100.0
89.02445	5.7
89.99152	1.1
90.02834	0.2
97.02940	0.1
101.02466	0.3
105.01950	0.2
109.06619	0.1
111.54584	0.1
114.47828	0.1
116.92872	0.3
125.02512	0.2
125.09737	0.2
161.04668	0.1
163.11256	0.2
170.20345	0.1
170.89015	0.1
171.10283	1.3
181.12386	0.1
187.09746	0.1
191.05586	0.1
201.11290	0.4
207.10297	0.5
209.11836	3.0
210.12161	0.3
225.11324	0.6
227.12894	0.5
235.08133	0.1
289.07300	0.2
310.86191	0.1
397.13257	0.3
415.14423	0.1
445.20233	0.1
784.40192	0.1
795.35272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98071	0.2
59.01377	1.7
63.02388	0.4
65.00336	1.2
69.52530	0.5
69.52940	1.9
73.02962	0.4
80.96462	0.2
83.01395	0.7
89.02455	0.2
93.03494	0.3
96.21980	0.2
96.84191	0.3
101.02419	0.3
106.50259	0.2
107.01410	2.3
108.02197	0.6
109.02978	1.5
109.38876	0.2
121.02982	1.7
125.02448	0.7
135.00879	0.6
148.01672	0.9
149.02396	0.3
151.00392	10.1
152.00697	0.2
159.04532	0.3
163.00375	2.8
164.01006	0.2
169.01428	0.7
175.03999	0.5
178.99878	5.3
183.04581	0.4
188.93631	0.2
190.99875	0.2
192.00778	0.3
193.01439	0.2
199.03978	0.4
201.05481	0.3
203.03458	0.3
211.03961	1.1
215.03416	0.5
226.02696	0.5
227.03526	1.8
229.05048	0.7
239.03471	0.4
243.02969	4.5
244.03450	0.5
245.04472	1.6
254.02141	0.8
255.02983	13.6
256.03406	1.1
261.03897	0.3
271.02469	25.7
272.02945	2.7
273.03912	1.1
282.01608	0.3
283.02530	1.6
285.04089	2.2
299.02057	0.9
300.02762	58.6
301.03510	44.1
301.07187	0.5
302.03900	4.0
317.03009	0.3
447.09323	100.0
448.09650	13.8
535.68866	0.2
674.05908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
65.00317	1.0
67.73956	0.6
83.01383	1.0
93.03431	0.7
98.19839	1.1
107.01405	2.4
108.02151	0.5
109.02968	1.4
120.99609	0.5
121.02937	1.7
122.90640	0.4
125.02451	0.9
135.04482	0.8
139.04033	0.6
147.14259	0.5
148.01698	1.1
151.00398	9.3
162.33543	0.5
163.00407	2.3
164.01215	0.4
169.01410	0.9
178.99889	5.8
187.07672	0.7
190.99883	0.5
191.05585	0.8
199.04019	0.8
203.03615	0.5
226.02809	0.7
227.03436	1.8
229.05112	1.3
243.03014	4.3
245.04546	1.6
254.02290	1.1
255.02979	14.2
255.05676	0.7
256.03323	1.4
271.02460	26.9
272.03055	2.7
273.03952	0.6
275.12897	1.6
283.02502	1.3
285.11295	0.8
299.01968	1.2
300.02771	59.4
301.03503	44.7
302.03882	4.5
317.02811	0.6
347.11481	3.5
447.09351	100.0
448.09698	13.6
795.23102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
57.03441	0.6
57.44775	0.2
58.00570	0.2
59.01386	3.0
68.33200	0.2
71.01390	2.7
71.71894	0.2
72.99300	0.5
73.02946	0.7
75.00861	0.8
79.05550	0.2
80.20932	0.2
81.03465	0.2
83.01376	0.7
85.02959	1.1
88.07238	0.2
89.02467	1.3
93.03481	0.3
95.01372	0.4
99.00908	0.3
101.02454	2.3
102.95009	0.2
104.50694	0.2
107.01414	0.3
107.42247	0.2
109.02953	0.6
113.02437	0.8
119.03506	0.4
121.02976	0.3
121.10233	0.8
122.03770	0.2
123.00913	0.6
123.04520	0.5
123.08183	1.1
125.02470	2.3
131.05064	0.3
135.00916	0.3
137.02426	0.3
143.04945	0.2
145.06657	0.2
149.02484	2.0
149.99532	0.2
150.02908	0.2
151.00401	1.2
151.04050	0.4
156.51312	0.2
158.03737	0.6
159.04494	0.6
161.02457	0.5
161.04582	0.3
161.06140	0.2
163.04102	0.2
165.09232	16.3
166.09563	0.9
169.01434	0.8
169.02789	0.2
171.04457	0.3
173.06100	0.5
175.00392	0.3
175.03931	0.2
177.12868	0.8
177.14246	0.2
179.03535	0.4
183.04547	0.5
185.04530	0.2
185.06067	0.4
186.03273	0.2
187.04057	0.5
187.17830	0.2
191.03702	0.3
191.05597	1.1
191.07173	1.5
195.13895	0.3
198.03448	0.2
199.04025	0.6
201.05656	0.8
203.03555	0.2
205.05101	0.5
209.08163	0.7
211.03937	0.3
214.02644	0.2
215.03595	0.9
217.05148	0.3
220.83878	0.2
221.11803	0.7
225.01906	0.2
227.03528	1.2
229.01564	0.3
229.05067	2.1
230.05229	0.3
231.03069	0.3
233.04555	0.6
235.56572	0.2
241.04880	0.3
243.03023	1.3
244.03380	0.2
245.04463	0.2
253.01360	0.4
255.02983	0.4
257.04553	0.4
258.01691	7.7
259.02469	4.8
259.11877	2.9
260.47986	0.2
271.02490	15.3
272.03171	4.5
273.04034	31.6
274.04410	2.8
283.02420	0.6
285.04065	6.2
286.04172	0.4
289.07190	0.3
298.01083	0.3
299.02103	1.0
301.03546	100.0
302.03891	9.6
304.02234	0.4
308.44034	0.2
313.03555	2.5
314.03864	0.4
315.05130	0.6
331.04599	17.4
332.04947	2.0
343.04486	1.6
355.04663	0.2
367.04697	0.6
371.13477	11.2
372.13852	1.4
373.05624	0.2
385.05634	0.7
391.06711	6.2
392.07114	0.7
401.18185	18.4
402.18570	2.0
403.06726	0.7
421.07779	39.2
422.02249	0.3
422.08093	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	791.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.05755	24.1
78.95907	63.1
87.40601	6.4
90.05763	6.3
94.55620	7.1
96.96935	7.7
97.28725	7.2
144.51274	6.6
152.99609	40.2
209.11841	71.2
215.35129	8.0
220.12823	7.6
227.12810	10.7
277.21765	54.1
278.22281	7.8
293.21213	12.1
360.15530	9.3
371.67117	7.1
599.70343	10.1
791.43347	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.2
57.53618	0.6
63.96248	1.0
66.34422	0.7
69.03471	1.7
71.01384	5.2
73.02930	0.6
78.95911	45.7
78.98607	2.9
79.95747	10.2
80.96526	46.7
81.03464	0.8
85.02953	7.4
85.61624	0.7
87.00901	1.8
94.98095	10.2
96.96022	0.9
96.96969	3.4
97.02979	1.9
97.06615	1.9
101.02487	0.8
106.98109	1.2
112.32924	0.7
115.92088	0.9
116.92893	0.9
122.97606	2.7
125.02461	1.6
125.09732	0.9
127.11334	1.0
134.97577	3.2
136.99161	1.7
137.09785	1.6
148.99132	3.8
152.98706	2.7
152.99625	49.0
155.10776	0.6
158.69296	0.7
164.98643	9.2
165.12952	1.1
171.00653	5.5
171.10291	18.6
172.10672	1.3
179.89204	0.9
183.13924	2.3
185.11867	1.3
196.89546	1.6
197.11983	1.2
201.11375	0.9
206.99667	1.5
209.11885	3.7
211.13388	11.7
212.13744	1.1
221.11865	2.3
225.00772	10.9
227.03302	3.6
229.14456	9.7
230.14847	0.7
239.10620	0.6
239.12946	2.0
245.04311	1.5
253.21732	9.4
254.22113	1.3
255.23386	2.7
281.24942	0.6
291.19778	1.8
302.96420	0.7
309.20740	1.1
327.21762	27.9
328.22256	2.1
345.51605	0.8
387.56134	0.6
463.21320	3.9
509.17477	1.0
537.25238	2.4
555.25806	39.6
556.25958	5.2
791.46429	100.0
792.46552	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.3
71.01369	0.8
72.99299	1.2
75.00886	5.1
85.02945	1.1
87.00872	0.4
89.02422	0.5
95.01377	0.8
98.19830	0.7
99.00846	0.5
101.02445	0.6
107.01402	0.4
109.02962	1.5
113.02405	1.1
121.02975	3.9
123.00817	0.4
123.04502	0.4
124.01662	3.9
125.02472	1.7
137.02431	0.3
139.04030	4.0
139.11298	0.8
151.00368	2.2
151.07698	0.6
161.02457	0.8
163.00471	0.4
165.09242	2.9
173.06108	0.6
177.05574	0.4
183.04643	0.3
183.10280	1.6
191.05580	1.3
199.03995	1.0
215.03505	1.0
227.03583	0.5
229.05016	0.7
241.10901	0.4
243.03014	1.9
245.04622	0.5
249.06203	2.1
257.04562	0.5
258.01678	22.2
259.02408	13.6
259.11823	8.0
260.02875	0.7
260.12228	0.6
261.03937	2.9
271.02457	15.9
272.03137	7.8
273.04022	11.3
274.04248	1.3
280.32977	0.3
283.02429	1.0
285.04007	4.6
298.01434	0.6
299.01993	0.5
301.03537	69.1
302.03870	6.0
304.02368	1.9
313.03540	7.2
314.03772	0.8
315.05115	0.6
329.03207	0.5
331.04584	47.6
332.04895	4.4
343.04526	2.1
343.10367	0.7
351.07083	0.4
357.11993	0.6
361.05740	0.9
367.04553	0.4
371.09760	5.7
371.13705	1.4
372.10153	0.9
385.05542	1.0
403.06726	1.4
421.07776	100.0
421.17093	8.0
422.08121	11.8
422.17075	0.7
427.52917	0.4
435.09311	1.2
436.82211	0.4
717.54431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98565	0.9
61.98833	10.2
69.45950	2.6
69.46375	6.1
70.19797	0.9
71.01360	2.7
83.05012	2.3
85.02950	0.9
89.02454	1.6
93.03434	2.8
101.02425	1.3
111.04552	7.9
111.08165	1.2
116.92873	6.2
124.61682	1.0
125.02436	1.9
134.03688	3.8
134.89453	2.8
135.04555	14.4
137.02448	1.7
147.66867	0.9
155.03517	4.9
163.11240	1.4
165.12798	1.0
171.10229	3.0
179.03514	5.4
189.09236	2.0
197.11844	9.5
199.04187	7.8
203.07129	6.5
205.02977	1.2
205.08626	1.8
209.11847	54.7
210.12218	4.2
211.13321	2.4
215.07101	1.7
217.08560	1.7
221.08099	2.5
224.25418	0.9
227.12894	11.8
228.13103	1.2
235.08186	5.2
238.92104	1.0
249.09210	3.9
253.09312	7.3
291.19547	2.2
309.20703	21.3
310.20990	1.9
317.08319	1.6
319.09848	3.7
343.19238	1.2
347.09320	2.6
348.09879	1.1
361.07013	1.1
361.10889	1.8
375.08600	1.3
375.12817	1.7
376.13342	3.5
387.12570	1.7
389.10742	5.3
403.12115	5.2
404.12881	18.3
405.13531	10.4
406.13840	0.9
415.11896	1.8
417.13638	5.4
421.13098	1.2
436.11526	1.7
443.15402	1.1
445.20981	5.5
457.20197	1.5
459.14063	1.4
463.21378	1.1
525.22723	2.5
543.24042	3.5
569.14697	1.6
583.16541	1.5
584.17023	7.6
597.18250	1.1
611.30139	2.5
737.40417	1.6
791.34705	100.0
792.34973	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
59.39785	1.2
61.98843	6.1
70.62889	3.0
71.01374	4.6
80.96474	1.1
83.05045	2.3
93.03446	3.1
98.20638	1.2
101.57458	1.3
111.04527	6.2
114.10935	1.3
116.92874	7.4
125.02479	2.8
133.02974	1.6
134.03732	2.2
135.04558	10.2
137.02481	1.8
155.03442	2.9
171.10300	2.5
179.03458	3.2
197.11774	1.6
199.04233	6.6
203.07158	6.5
207.10204	1.2
209.11867	7.8
211.13377	2.7
217.08751	1.8
221.08186	2.7
222.08952	1.4
227.12906	2.2
229.08627	1.2
249.09413	3.7
251.88921	1.2
255.02800	1.2
271.02426	1.8
283.02408	4.2
291.19617	2.1
300.03027	2.6
309.20697	3.5
310.21066	1.7
317.08563	1.5
319.09811	4.4
327.08762	21.7
328.08936	3.1
347.09103	2.3
361.07239	2.4
376.13330	2.7
387.12534	2.6
389.10559	4.5
403.12238	4.6
404.13028	12.8
405.13620	7.0
411.25525	1.3
417.13641	5.7
463.08688	4.6
469.16693	1.4
525.23065	2.9
543.24017	1.9
583.16052	1.6
584.16986	5.0
597.17395	1.5
611.30322	2.0
618.77924	1.3
791.34900	100.0
792.35211	21.1
803.44873	1.4
820.59033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01438	1.1
63.02449	0.4
65.00392	0.9
71.01427	0.5
71.71926	0.3
76.56090	0.3
81.03541	0.5
83.01477	0.9
89.02504	0.5
93.03546	0.6
101.02535	0.3
102.98697	1.3
107.01395	1.5
108.02290	0.9
109.03054	1.3
111.04604	0.4
119.05103	0.6
121.02991	1.5
125.02489	2.7
135.00958	0.5
137.02539	0.7
139.04146	0.5
143.05127	1.0
148.01753	1.0
151.00394	7.2
151.01532	0.4
151.04160	0.3
151.07637	1.7
153.02122	0.3
161.02539	0.4
163.00409	2.2
163.04094	0.6
164.01250	0.7
165.05661	0.7
165.09232	0.4
169.01530	0.5
174.03369	0.4
175.03999	0.3
177.02049	0.4
178.99873	3.3
183.08163	0.4
185.06113	2.1
187.04173	0.4
191.05696	0.9
193.01587	0.7
195.06645	9.2
196.07039	0.8
199.04214	0.6
203.03464	0.4
207.06810	0.4
211.04056	0.6
216.04305	0.4
217.05115	0.4
226.02785	0.9
227.03780	2.0
227.07150	11.1
228.07545	0.6
229.05023	0.6
237.07678	3.5
242.02069	0.3
243.02986	6.3
244.03510	0.5
245.04594	0.9
247.09726	0.5
251.09142	0.3
253.04955	1.5
253.79962	0.3
254.02318	1.6
255.02969	17.5
256.03427	1.2
267.08731	0.6
270.01605	0.3
271.02478	35.0
271.05917	2.3
272.02927	3.5
273.03958	0.5
275.09195	1.5
283.02249	0.4
283.04932	1.1
284.05405	0.5
285.03958	0.7
289.07364	0.5
299.02002	0.7
300.02753	80.0
301.03455	28.3
302.03809	1.7
313.07257	1.4
322.35507	0.4
329.11362	0.4
343.08224	1.8
357.11880	3.4
358.12296	0.4
395.13556	1.6
396.13541	0.5
432.06290	0.4
433.07562	100.0
434.07916	12.2
599.13556	0.4
629.21863	1.3
791.26392	0.9
792.25128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01374	0.7
60.24850	0.2
61.98826	0.3
70.13176	0.6
70.13596	0.5
71.01389	0.7
79.05537	0.5
81.03463	2.9
82.52244	0.2
83.01408	0.3
85.02964	1.0
89.02470	0.3
93.03494	0.6
95.01410	0.4
95.05105	0.2
100.80309	0.2
101.02459	0.4
109.02963	1.3
111.00887	0.3
113.02512	0.2
121.02933	0.3
122.03776	0.3
122.65722	0.2
123.04537	22.1
124.04885	1.1
125.02474	2.6
125.09754	1.1
132.81351	0.2
135.04556	0.5
137.02489	0.5
147.04572	0.3
148.97543	0.2
149.02464	0.4
149.09735	1.1
150.03271	0.3
151.00369	1.2
151.04074	0.7
151.07634	0.5
161.02492	1.2
163.00394	0.3
163.04033	0.4
164.01222	0.4
167.03534	0.4
174.03209	0.3
175.04060	0.4
177.01929	0.6
179.03474	0.4
187.04042	0.4
191.03793	0.2
191.05624	6.0
191.07326	0.3
192.05969	0.7
193.08710	30.4
194.09079	1.8
199.04036	0.3
203.03519	0.4
215.03551	1.0
216.04341	0.3
219.06660	1.8
227.03528	0.9
229.04971	0.5
230.02156	0.6
231.03009	0.3
237.07556	0.5
243.03059	1.1
244.03629	0.3
245.04526	0.3
249.06314	0.3
255.03017	0.4
257.04410	0.4
258.01675	25.8
259.02423	19.7
260.02753	1.3
267.07178	0.4
271.02441	12.1
272.00192	0.4
272.03192	8.5
273.03976	6.1
274.04376	0.3
275.09198	0.3
283.02457	0.4
284.03146	0.5
285.04071	3.1
287.05554	0.4
289.07190	0.6
298.01041	1.3
299.01901	0.6
301.03546	56.3
302.03882	5.0
304.02164	1.3
313.03555	4.3
314.03928	0.4
327.05176	0.4
331.04590	39.1
332.04977	3.8
337.09628	0.3
343.04471	0.6
353.08786	0.6
355.04648	0.7
373.05594	0.8
385.11765	0.5
391.06711	100.0
392.07028	10.6
399.12982	25.4
400.13339	3.0
406.11346	0.2
526.37500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25230	0.5
68.46919	0.4
70.56678	1.8
71.05009	0.5
79.01921	0.9
92.74508	0.6
106.32794	0.5
111.04532	4.5
121.58871	0.4
122.97559	0.7
123.04537	1.5
123.08141	0.6
125.06124	2.2
138.03284	0.6
151.04037	7.1
155.98347	0.5
161.21022	0.4
162.92645	0.5
164.04851	0.6
165.05577	0.9
166.02753	0.8
177.01953	1.6
177.09145	0.9
177.12872	0.9
179.03531	0.9
180.04271	5.2
191.03436	0.7
192.04457	0.6
193.08685	1.3
193.12415	0.5
195.75760	0.5
203.07175	2.5
207.06610	4.2
208.07323	1.6
217.08577	0.5
219.06625	0.7
219.10023	0.5
221.08202	60.4
222.08891	14.5
222.90967	0.4
223.09453	0.9
231.17599	0.8
233.08214	4.5
233.15404	1.0
234.08844	0.8
235.09760	28.4
236.10458	5.3
247.09767	2.3
248.10335	0.5
249.11316	2.6
275.13110	0.9
275.16501	2.7
275.19241	0.5
289.14432	0.7
301.22031	0.7
315.23383	2.3
345.20752	18.4
346.21149	2.6
359.22287	51.8
360.22781	6.4
362.20129	0.6
373.20218	1.0
374.20923	0.5
385.27612	0.5
429.26474	100.0
430.26837	15.8
443.28052	34.2
444.28302	4.5
603.85797	0.5
789.49731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.37082	0.3
59.01373	0.3
70.28438	0.7
71.05006	0.3
74.43173	0.3
79.01910	0.7
85.06597	0.9
99.08151	0.4
106.68209	0.3
107.05038	0.5
111.04527	2.1
111.81170	0.3
121.02962	0.3
122.97582	0.5
123.04559	1.5
123.08186	1.0
125.06120	3.0
125.09741	0.3
138.03203	0.4
139.04004	0.4
151.04031	5.9
152.04752	0.6
163.04047	0.4
164.04858	0.4
165.05571	0.7
166.02695	0.8
170.65884	0.3
177.01994	0.9
177.12914	0.5
179.03632	1.3
179.10699	0.3
180.04311	4.7
191.03542	0.9
191.07108	0.3
191.10776	0.6
193.08812	0.5
203.07262	0.3
205.12320	0.5
207.06512	0.7
207.10271	1.2
208.07344	0.8
217.08762	1.7
219.06651	2.0
221.08205	14.7
222.08911	3.4
223.09682	0.4
231.10318	0.4
231.17551	0.4
233.08171	2.6
233.15460	0.9
234.09065	0.6
235.09758	56.6
236.10446	13.4
237.10851	1.2
247.09735	2.2
248.10176	0.5
249.11322	9.8
250.11610	0.6
255.54498	0.3
261.11307	0.8
261.18387	0.4
275.16519	1.9
289.14484	0.3
299.20105	0.9
301.14355	0.4
301.21698	1.7
303.16046	0.9
317.17679	0.8
327.19785	0.5
345.20731	52.2
346.21030	6.3
357.20773	0.3
359.18628	0.6
359.22314	4.7
360.22852	0.4
373.20398	0.8
374.21085	0.9
375.21075	0.3
399.29022	0.7
412.60324	0.3
413.38235	0.3
429.26462	9.7
430.26672	1.5
443.28033	100.0
444.28372	16.1
789.49615	1.6
790.50287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03443	2.5
58.00616	1.0
59.01376	10.2
61.98830	6.0
68.99837	0.4
69.03456	1.7
71.01385	53.5
71.05023	1.2
72.01720	0.5
72.99315	1.3
73.02950	3.8
78.95922	0.6
80.02690	2.1
81.03461	2.9
83.01407	1.8
83.05032	7.8
84.02180	1.7
85.02961	6.7
87.00907	2.0
89.02458	6.2
91.03990	0.3
93.03460	1.0
95.01411	0.8
95.05044	3.1
96.96031	2.1
96.96974	0.6
97.02962	2.6
97.06598	3.8
99.00862	1.7
99.04527	0.9
101.02458	7.8
106.04253	0.5
107.05063	0.8
107.72845	0.3
109.02985	0.5
109.06607	7.1
110.03749	0.8
111.00902	0.6
111.04527	0.6
111.08150	0.8
113.02466	4.5
114.51836	0.3
115.04034	0.4
116.92844	1.9
119.03539	1.7
121.06626	0.3
123.04565	0.4
123.08170	0.8
125.02464	0.6
125.06086	1.4
125.09760	3.2
127.07686	0.5
127.11320	2.9
133.05103	0.7
135.08255	1.8
137.02417	0.5
137.09766	1.3
139.07695	1.2
139.11349	0.4
140.19859	0.3
143.03523	1.2
145.05093	1.5
149.09773	0.6
150.03008	0.4
151.11310	0.6
153.09224	0.8
153.12820	0.5
155.10794	1.7
155.14445	0.5
157.05022	0.4
161.04610	3.1
161.09744	0.8
163.11314	10.6
164.11687	0.5
165.09254	0.7
165.12900	3.4
167.10844	0.6
167.14479	0.7
169.12364	0.5
171.10292	51.9
172.10638	2.0
177.12909	0.8
177.40877	0.4
179.05611	1.2
179.10782	1.1
181.12350	3.5
183.13939	2.5
185.11855	3.4
189.09270	1.2
191.05595	0.4
191.10800	1.3
192.11235	0.3
193.12328	0.8
197.11816	3.1
199.09805	1.0
199.13417	1.2
201.11340	14.9
202.11592	0.4
207.10287	20.6
208.10646	1.5
209.11842	100.0
210.12180	6.1
211.13412	14.8
212.13686	1.0
215.12903	1.7
221.11794	2.0
225.11327	33.7
226.11667	2.0
227.12885	10.7
228.13164	0.6
229.14456	10.6
229.27975	0.3
230.14807	0.8
235.08252	9.4
236.08435	0.4
239.12807	1.9
243.12305	2.2
253.09273	24.7
254.09564	1.4
289.18106	0.6
291.19644	4.1
295.10400	1.0
307.19266	2.2
309.20718	8.3
310.21130	0.7
325.20349	0.6
327.21768	71.6
328.22107	7.9
363.68286	0.4
397.13409	0.5
407.19336	1.0
443.19107	0.8
461.20322	7.3
462.20633	0.9
479.21307	1.2
481.31512	0.6
511.32953	0.5
545.29449	0.9
563.31140	2.1
606.25385	0.4
753.40802	0.9
771.42194	4.3
772.42255	1.8
789.43280	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	789.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.9
59.01383	12.4
60.99284	2.1
61.98830	39.0
71.01392	71.0
71.71537	2.8
73.02935	2.9
78.95896	8.6
79.95738	2.2
80.02636	2.1
80.96514	10.9
81.03447	2.0
83.01394	2.0
83.05021	4.8
85.02984	3.9
87.00871	6.2
88.98804	6.5
89.02474	5.6
94.98114	2.7
95.01402	2.5
95.05004	2.2
96.22311	2.1
96.96048	3.0
97.02985	3.6
99.00832	3.9
101.02447	9.4
109.06593	5.9
111.04523	5.5
111.08175	5.0
113.02441	4.0
114.93417	3.2
116.92876	3.0
119.05066	4.1
125.02469	3.0
125.09769	11.7
129.38039	2.1
135.08025	2.0
137.09846	2.5
155.10973	2.2
161.04564	3.6
163.03947	4.2
163.11201	4.8
170.43733	1.9
171.08786	2.5
171.10274	45.8
172.10616	5.1
177.58224	2.0
179.10753	4.3
179.69032	2.3
181.12338	2.8
185.11850	3.9
187.09836	2.6
195.10321	2.4
195.14034	2.5
197.11852	12.0
199.04138	2.8
199.13391	3.0
201.11363	10.3
205.08789	3.0
207.10196	16.0
209.11836	100.0
210.12184	5.0
211.13324	6.2
223.09673	4.9
223.13361	3.4
225.11295	12.9
227.12929	18.5
228.13164	3.5
235.08208	7.2
253.09305	20.0
254.09605	3.1
288.48889	2.0
289.18127	18.2
291.19592	26.9
292.20016	4.2
293.21173	5.7
307.19244	20.1
309.20700	10.7
311.22156	7.8
327.21713	6.0
328.21893	2.4
418.14297	5.6
431.15598	2.4
444.23599	2.2
445.20789	5.2
461.20578	2.3
753.40295	5.9
754.41492	3.2
764.66193	2.2
789.37531	83.0
790.38092	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
67.89430	0.3
68.06913	0.2
71.01388	0.6
71.70629	0.5
81.03477	0.3
83.05033	0.9
85.02964	1.5
87.00862	0.5
93.03477	2.8
96.64364	0.3
96.96059	0.3
101.03175	0.3
109.02953	0.6
110.45853	0.3
111.04539	2.2
119.05044	44.4
120.05369	2.1
121.03014	0.4
125.02476	0.4
127.03987	0.4
135.04544	0.6
137.02475	0.5
145.03021	0.3
151.00417	0.3
155.03500	2.1
161.02454	0.4
163.04027	100.0
164.03049	0.4
164.04366	4.7
173.04570	4.3
179.03697	0.3
191.05630	23.8
192.05997	1.1
241.71886	0.3
245.08302	0.4
266.08334	0.3
289.07236	2.8
301.03314	0.3
307.44055	0.3
337.09299	42.8
338.09634	4.8
353.08719	1.8
353.46530	0.3
360.49344	0.3
428.84686	0.3
451.12848	0.3
604.93085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03445	0.7
58.00607	0.3
59.01378	4.9
59.24439	0.3
60.20797	0.2
61.98831	2.9
62.96936	0.2
68.99838	0.2
69.03450	0.8
71.01385	8.9
71.05010	0.6
71.72468	0.4
73.02940	0.8
75.00853	0.4
80.02695	1.0
81.03473	1.2
83.01403	0.9
83.05032	4.9
84.02183	0.7
85.02958	1.2
87.00864	1.2
89.02456	3.2
93.03412	0.2
93.07082	0.2
95.01375	0.3
95.05032	0.8
97.02959	0.6
97.06618	0.7
99.00881	0.5
101.02447	3.6
109.06602	1.0
111.04537	0.3
111.08174	5.5
113.02463	2.3
116.92850	0.4
119.03544	0.6
121.06590	0.3
123.04578	0.3
123.08186	0.3
125.02467	0.7
125.06103	0.6
125.09740	0.9
127.07644	0.4
127.11253	0.3
131.03452	0.3
133.05115	0.3
135.08174	0.8
137.02473	0.3
137.09738	0.4
143.03532	0.3
145.05122	0.5
149.09677	0.2
151.04027	0.2
151.11288	0.3
153.09253	0.2
153.12866	0.8
161.04567	1.7
163.11301	3.5
165.12840	2.3
167.10715	0.3
169.12360	3.3
170.12686	0.4
171.10277	3.5
179.05647	0.8
179.10760	0.6
181.12415	1.1
182.12849	0.2
183.10315	0.3
183.13954	0.4
185.11783	0.9
187.09737	0.4
191.05603	0.3
191.10808	0.8
193.12418	0.4
197.11842	29.9
198.12239	1.7
199.09799	0.4
199.13420	2.0
201.11333	0.9
207.10344	1.2
209.11838	100.0
210.12169	7.8
211.13403	4.7
212.13745	0.5
213.11369	0.3
215.12831	0.3
223.09772	0.4
225.11348	1.6
225.14964	0.3
227.12886	13.4
228.13206	0.9
231.13843	0.3
235.08176	5.0
235.10306	0.4
241.14468	0.3
245.19058	0.5
249.11064	0.3
249.15001	1.2
253.09282	15.1
254.09639	0.6
259.15588	1.6
263.20215	1.2
265.18039	0.9
273.18585	0.5
289.18167	1.3
291.19638	10.7
292.19977	0.7
307.19104	1.1
308.19516	0.4
309.20709	36.1
310.21082	3.4
325.20282	0.3
327.08731	0.8
341.23480	0.5
433.20911	0.7
445.20837	2.4
461.20142	0.4
501.31744	0.4
527.28564	0.8
545.30023	1.3
769.40063	0.4
787.41394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03444	0.5
58.00585	0.3
59.01376	4.6
61.98833	3.7
68.99829	0.2
69.03459	1.3
71.00982	0.3
71.01382	6.4
71.05022	0.4
71.71555	0.3
72.99304	0.3
73.02945	0.9
78.95922	1.0
80.02673	1.0
80.96512	0.2
81.03473	1.3
83.01383	0.6
83.05032	5.4
84.02166	2.5
85.02953	1.0
87.00887	1.7
89.02452	3.0
93.03451	0.3
95.01410	0.4
95.05040	1.0
96.96024	5.3
96.96976	1.7
97.02933	1.0
97.06603	5.5
99.00910	0.3
99.04512	0.5
101.02458	4.2
107.05098	0.3
109.02975	0.3
109.06599	1.0
111.04549	0.3
111.08186	0.4
113.02461	2.2
113.38077	0.1
116.92889	0.7
119.03503	1.0
119.08656	0.2
121.03018	0.2
122.03714	0.2
123.04541	0.2
123.08173	0.4
125.02438	0.4
125.06089	0.7
125.09722	1.3
127.11310	0.3
128.90146	0.3
131.03537	0.2
133.05069	0.2
135.08183	1.1
137.09731	0.6
139.07635	0.2
141.12842	0.2
143.03519	0.5
145.05063	0.6
147.11806	0.2
149.09712	0.2
149.13412	0.3
151.11313	0.5
153.09138	0.2
155.10822	0.2
157.05200	0.2
161.04585	2.0
161.09749	0.2
163.11308	3.7
163.12691	0.2
164.11668	0.3
165.12852	2.7
167.14337	0.2
169.12337	0.4
171.10287	10.0
172.10649	0.6
173.09729	0.1
175.11316	0.3
177.09326	0.2
177.12863	0.3
179.05614	0.6
179.10733	0.3
181.12366	0.8
183.10217	0.2
183.13933	0.4
185.11832	0.6
191.05598	0.3
191.10809	1.0
193.12347	6.9
193.14124	0.4
194.12700	0.4
195.13953	0.2
197.11826	1.5
197.15500	0.3
199.13394	0.5
201.11336	1.4
203.10696	0.2
205.08618	0.2
207.10283	1.3
209.11836	100.0
210.12177	7.5
211.13394	2.7
212.13597	0.2
213.11232	0.2
215.12907	0.3
221.11772	0.7
223.09795	0.7
223.13289	0.2
225.11557	1.7
225.14957	9.5
226.11652	0.2
226.15318	0.8
227.12888	12.4
228.13132	0.7
229.14539	0.2
235.08221	6.2
235.13348	0.3
236.08540	0.2
237.14876	0.4
241.14403	0.4
243.02899	0.2
243.15993	4.6
244.16290	0.3
249.14905	0.2
253.09277	15.3
253.14284	0.9
254.09528	1.0
254.14998	0.2
257.04562	0.4
273.18463	0.3
287.16388	0.2
289.18100	0.4
291.19608	1.0
305.17786	0.3
305.21191	0.3
309.20703	0.5
323.22330	1.1
325.20163	2.0
326.20721	0.2
327.21777	1.1
341.23337	64.9
342.23663	6.6
356.81583	0.2
434.27621	0.2
445.20847	2.0
461.20258	0.4
463.21967	0.2
533.34882	2.6
534.35065	0.4
551.35706	0.4
559.31415	0.3
577.32343	2.2
578.32587	0.6
689.33319	0.2
769.40503	0.4
787.42450	0.8
788.42419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35456	0.8
55.36212	0.9
57.03447	3.7
59.01381	16.3
61.98834	21.2
62.42347	1.0
69.03463	1.5
71.01389	36.8
71.05003	1.4
71.05685	0.9
71.72231	1.3
72.99305	1.0
73.02957	4.1
74.33817	0.9
75.00906	1.0
78.95921	2.6
80.02676	1.7
80.96516	1.6
81.03446	1.0
83.01398	2.1
83.05043	9.6
85.02974	4.0
87.00901	3.7
89.02438	6.9
93.03490	1.0
95.05030	1.6
97.02985	2.9
97.06610	1.6
97.85316	1.0
99.00922	2.3
101.02439	7.6
101.21606	1.0
107.05050	1.8
109.06618	8.6
111.00933	1.2
111.08173	6.8
113.02467	4.5
119.03527	1.6
119.27344	1.2
122.57780	1.1
125.02490	4.5
125.09720	2.3
135.08208	1.6
137.02426	1.7
137.09763	1.3
143.03485	1.1
145.05089	1.7
148.18224	1.1
151.11337	1.5
155.10742	1.1
161.04567	2.9
163.11314	12.8
165.12869	3.6
167.10825	2.0
171.10307	30.1
172.10704	1.5
179.05571	1.3
179.10820	1.9
181.12361	4.0
185.11812	2.9
189.09251	1.3
195.13925	9.2
197.11890	4.9
199.13379	1.8
201.11295	11.6
207.10300	24.0
208.10696	2.4
209.11850	100.0
210.12219	6.4
211.13429	2.8
223.13414	4.2
225.11363	23.8
226.11606	2.4
227.12883	11.9
235.08186	4.6
235.17062	1.1
243.12413	2.6
247.20737	1.3
253.09314	23.8
254.09601	1.7
275.20087	8.0
291.19662	66.9
292.20010	9.7
293.21231	57.0
294.21692	6.2
309.20718	2.9
327.21768	2.6
341.23322	1.0
345.21582	1.1
373.20154	2.6
391.21320	3.1
443.19437	1.3
454.34198	0.9
461.20297	5.6
737.40942	4.9
738.41553	1.4
755.42218	3.3
787.44415	4.7
788.37408	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	787.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.3
57.03448	0.7
58.00586	0.4
59.01379	4.5
61.98831	4.7
63.99242	0.3
65.03941	0.2
67.01892	0.2
68.99803	0.2
69.03463	1.3
71.01389	4.7
71.05031	0.2
71.61866	0.1
72.99317	0.3
73.02949	1.0
75.00897	0.2
78.95905	0.4
80.02687	1.2
80.96530	0.3
81.03465	1.4
83.01366	0.8
83.05031	5.7
84.02170	2.9
85.02947	1.5
87.00879	1.1
89.02453	3.2
91.03988	0.2
93.03479	0.4
95.01405	0.4
95.05034	0.9
96.96023	1.3
96.96964	0.5
97.02990	0.9
97.06601	4.7
99.00905	0.4
99.04534	0.8
101.02454	3.5
101.13347	0.2
101.40952	0.1
106.04242	0.2
107.05049	0.3
109.02950	0.2
109.06601	0.8
110.03728	0.2
111.04546	0.4
111.08191	0.4
113.02464	2.2
116.92860	1.0
117.01935	0.2
119.03516	0.9
119.08677	0.2
121.06631	0.2
121.10248	0.2
123.08167	0.3
125.02493	0.4
125.06081	0.7
125.09747	1.5
126.10040	0.2
127.11292	0.6
131.03517	0.2
133.05083	0.2
135.08188	0.9
137.09737	0.7
143.03531	0.3
145.05067	0.7
147.11853	0.2
149.09683	0.2
151.03979	0.2
151.11273	0.5
153.09200	0.4
155.10771	0.4
161.04594	1.7
163.11302	4.0
164.11572	0.3
165.12862	2.5
166.13274	0.2
171.10281	10.4
172.10602	0.5
175.11284	0.5
177.12807	0.3
179.05580	0.6
179.10764	0.2
181.12332	0.6
183.13908	0.5
185.11835	0.6
191.05739	0.2
191.10773	1.0
193.12338	6.0
194.12651	0.4
197.11905	0.8
197.15489	0.3
199.13396	0.5
201.11337	1.6
201.64803	0.1
207.10295	1.0
209.11835	100.0
210.12160	6.8
210.14188	0.3
211.13397	2.0
212.13681	0.2
215.12996	0.2
221.11858	0.5
223.09741	0.6
225.11549	1.6
225.14960	8.7
226.11673	0.3
226.15286	0.7
227.12885	11.5
228.13188	0.9
229.14565	0.2
235.08218	6.0
237.14970	0.4
238.02235	0.2
239.12779	0.2
241.14355	0.2
243.12292	0.2
243.15990	4.2
244.16216	0.3
247.13382	0.3
253.09276	15.6
253.14552	0.5
254.09612	0.6
287.16376	0.1
289.18295	0.2
291.19556	1.0
305.17783	0.3
305.21304	0.6
307.19110	0.3
309.20758	0.4
323.18677	0.3
323.22247	1.2
325.20276	1.8
326.20544	0.2
327.21780	0.9
328.21832	0.2
341.23343	62.7
342.23679	7.0
342.27908	0.3
365.23462	0.2
445.20911	1.9
446.21158	0.3
461.20575	0.3
463.21875	0.4
533.34711	2.8
534.35291	0.5
551.35608	0.5
559.30908	0.4
577.32361	1.9
601.87799	0.2
769.40601	0.3
787.42004	0.6
788.41943	0.1
791.76691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03443	3.7
58.00591	0.7
59.01385	12.4
61.98833	35.2
67.01885	1.0
68.99824	2.1
69.03475	3.2
69.53046	5.4
71.01389	100.0
71.05022	1.7
72.01727	1.9
72.99323	2.6
73.02956	4.2
75.00887	1.4
78.72353	0.5
78.95925	0.6
80.02682	1.7
81.03464	2.9
83.01400	3.9
83.05044	3.7
84.02140	1.2
85.02957	5.0
87.00885	25.1
89.02464	6.3
93.03481	1.6
95.01399	1.8
95.05043	2.3
97.02967	8.8
97.06592	4.8
99.00904	2.7
101.02464	8.7
106.04259	1.2
107.05055	1.6
108.02197	1.0
109.02998	1.6
109.06611	10.8
110.03777	2.1
111.00903	1.4
111.04558	7.0
111.08195	2.6
112.68781	0.6
113.02475	5.0
119.03526	1.4
121.02934	0.7
121.06609	1.5
122.03757	1.1
123.04548	3.0
123.08180	3.1
125.02486	1.8
125.06148	0.9
125.09743	9.3
127.11323	2.2
127.86974	0.6
133.06639	0.5
135.08183	2.2
136.05360	0.8
137.02441	0.6
137.09721	1.9
139.11288	0.7
142.02734	1.8
143.03575	1.0
145.05168	0.6
149.06105	0.8
149.09749	1.7
151.07588	0.6
151.11301	2.8
153.09219	1.6
153.12875	0.7
155.10796	2.6
157.08701	0.6
161.04652	2.9
161.09738	5.0
163.11330	8.6
164.11633	0.8
165.09258	1.1
165.12871	3.5
167.10825	1.8
169.12364	2.5
171.10291	33.3
172.10667	2.1
177.09227	2.6
179.05650	1.2
179.10806	8.0
180.11127	0.7
181.12372	5.1
183.10336	0.7
183.13942	0.9
185.11841	7.6
187.09714	3.0
189.09290	1.0
191.05664	1.2
191.10762	0.9
191.14417	2.2
193.12364	1.2
195.10275	1.9
197.11847	11.6
198.12186	1.0
199.09808	3.0
199.13419	4.3
201.11340	15.0
202.11774	0.6
205.08723	10.1
206.08946	0.8
207.10283	21.0
208.10677	0.9
209.11861	14.2
209.13750	1.1
210.12123	1.0
211.13416	9.1
213.11290	4.7
215.12926	3.5
223.09761	21.8
223.13274	0.9
224.10201	2.1
225.11319	18.7
226.06258	0.6
226.11703	1.5
227.12885	6.8
235.08057	3.6
239.12944	0.7
241.10712	3.9
241.14595	1.7
243.12328	1.0
245.19051	3.1
247.20741	1.7
253.06648	0.7
253.09293	14.4
254.09665	1.1
259.15598	1.5
263.20218	0.9
271.17166	0.6
273.18613	0.6
273.47739	0.6
289.07544	0.6
289.18094	9.1
290.18558	1.1
291.19678	18.4
292.20084	2.3
293.20990	0.6
299.15060	0.6
307.19104	6.3
309.20731	17.1
309.24103	1.0
310.21088	1.7
321.20856	0.9
323.22363	0.7
341.23404	3.5
393.23038	0.9
419.19394	0.9
459.19061	2.0
461.19952	2.8
477.19778	1.0
751.39795	1.2
769.40955	1.8
787.43335	2.7
788.37988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.85931	0.1
61.98832	100.0
62.98531	0.7
62.99253	0.1
63.96236	0.2
63.99266	0.5
69.03450	0.2
71.01385	1.6
71.72385	0.2
71.72810	0.2
73.02941	0.4
78.95926	0.3
78.98592	0.7
79.95737	1.9
80.96523	11.6
81.03468	0.1
82.96131	0.1
85.02982	0.4
87.00902	0.4
94.98097	2.6
96.96021	0.2
97.02969	0.2
99.00893	0.1
101.02460	0.4
106.98112	0.4
122.97621	0.5
125.02458	0.6
134.97569	0.6
136.99158	0.3
148.99159	1.1
152.98599	1.0
157.29628	0.1
164.98656	2.1
171.10329	0.3
181.19949	0.1
182.53516	0.1
201.11363	0.2
203.39105	0.1
206.99718	0.4
209.11838	0.4
225.00740	3.1
225.11266	0.1
250.45042	0.1
277.21707	0.4
279.23199	0.5
325.18341	0.2
509.16855	0.3
787.39612	11.6
788.39996	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	787.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03454	1.3
58.00598	0.4
59.01381	7.3
61.98832	10.3
66.14124	0.3
67.01884	0.5
68.99813	0.9
69.03460	1.6
71.01386	23.9
71.05019	1.1
71.71297	0.3
72.01741	0.6
72.99310	1.0
73.02959	2.2
78.95906	1.2
79.95774	0.3
80.02678	1.4
80.96518	0.6
81.03469	2.2
83.01400	1.3
83.05035	5.7
84.02175	3.9
85.02962	2.9
87.00878	3.8
87.04514	0.3
88.98826	0.3
89.02463	4.4
91.04038	0.5
93.03463	0.8
94.98117	0.3
95.01408	0.7
95.05035	1.9
96.96022	4.6
96.96956	1.9
97.02947	2.2
97.06601	4.7
99.00902	1.0
99.04530	1.1
101.02454	6.3
103.42171	0.3
107.05026	0.8
108.02142	0.3
109.02994	0.4
109.06615	5.6
111.00896	0.7
111.04542	1.9
111.08165	0.7
113.02469	3.2
113.06075	0.3
116.92875	1.1
119.03506	1.1
119.08635	0.4
121.10239	0.4
123.04566	0.6
123.08221	0.7
125.02489	0.8
125.06080	1.3
125.09738	2.4
126.90466	0.3
127.07664	0.5
127.11312	1.1
128.03517	0.5
128.90201	1.3
129.01930	0.6
133.05051	0.5
133.06604	0.4
135.08186	1.5
137.02373	0.3
137.09752	1.0
141.01918	0.3
142.02798	0.3
143.03503	0.7
145.05046	0.8
147.11824	0.5
149.09792	0.4
151.04088	0.3
151.07581	0.3
151.11308	1.1
153.09250	0.6
155.10776	0.9
161.04597	2.8
161.09734	1.1
163.11316	6.0
165.12856	3.2
167.10780	0.5
167.14343	0.3
169.12404	1.6
171.10292	27.3
172.10622	1.5
175.11272	0.5
177.09210	0.5
177.12840	0.5
179.05612	1.2
179.10800	2.0
179.12178	0.3
181.12360	2.0
183.10263	0.4
183.13913	1.9
185.11897	1.6
189.09213	0.5
191.05643	0.7
191.10794	1.4
193.12325	4.6
195.10190	0.4
195.13977	0.4
197.11858	6.5
198.12152	0.4
199.09767	0.7
199.13394	1.3
201.11339	6.2
202.11726	0.3
203.14427	0.4
205.08705	1.1
207.10284	8.0
208.10600	0.4
209.11844	100.0
210.12178	5.6
211.13403	7.9
212.13725	0.6
213.11333	0.8
215.12929	0.8
221.11928	1.3
221.15416	0.3
223.09743	5.7
223.13284	0.4
225.11368	9.3
225.14922	6.7
226.11674	0.8
227.12892	13.3
228.13269	0.7
229.14424	1.9
233.11702	0.3
235.08232	8.5
235.13367	1.0
237.15009	1.0
238.45151	0.3
239.12779	0.6
241.10812	0.6
242.02264	0.8
243.12274	0.8
243.15942	2.7
247.13412	0.6
249.14903	0.5
253.09286	18.7
254.09651	0.9
257.04617	2.0
265.14554	0.5
277.18243	0.3
279.19571	0.4
287.16602	0.7
289.18100	1.2
291.19687	2.8
305.17624	1.4
305.20776	0.3
307.19135	0.9
309.20633	1.9
310.21164	0.5
323.18781	0.6
323.22272	1.2
325.20197	10.6
326.20523	0.7
327.21729	7.6
328.22134	1.1
338.05588	0.4
341.23346	55.2
342.23654	5.6
375.68457	0.3
407.19138	0.7
443.19418	0.7
445.20978	1.8
459.18933	0.8
461.20190	1.9
463.21814	0.5
533.34802	1.8
545.29773	0.3
559.31488	0.3
561.28595	0.3
563.31122	0.4
577.32275	1.5
578.32520	0.3
751.39447	0.4
769.40619	2.4
770.40900	0.6
787.41901	3.9
788.42041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78983	0.1
61.98833	100.0
62.98539	0.2
71.49928	0.1
80.96524	0.5
110.77995	0.1
154.78767	0.1
209.11888	0.3
210.12236	0.2
250.79987	0.1
277.21832	0.3
278.22183	0.3
279.22827	0.2
540.36652	0.1
685.89911	0.1
688.45703	0.1
787.40155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01374	0.9
61.98833	18.2
63.96247	1.9
69.03453	1.1
69.56847	1.2
69.57271	2.1
71.01389	9.4
72.99312	0.5
73.02943	1.5
78.95913	2.1
78.98603	7.3
79.95265	0.8
79.95743	18.2
80.96525	100.0
81.03466	1.1
81.96475	0.4
83.01406	0.9
85.02958	3.5
85.12410	0.4
87.00894	3.4
94.98097	20.7
95.01421	0.5
96.96024	2.0
97.02934	2.0
98.19810	0.7
99.00886	0.9
101.02458	3.1
105.66354	0.4
106.98102	3.7
113.02502	0.4
118.03231	0.3
122.97613	5.1
125.02475	4.2
127.04012	1.0
127.76738	0.3
134.97612	6.9
136.99173	2.2
146.97556	0.5
148.99170	7.6
152.98645	6.9
163.11276	0.5
164.97290	0.8
164.98659	14.7
167.00217	0.4
171.10329	0.4
195.13953	0.6
206.99684	3.1
209.11806	2.9
225.00749	24.1
226.00896	1.1
230.04034	0.4
243.01814	0.4
253.58961	0.4
277.21725	1.8
278.21973	0.7
279.23398	0.5
283.04883	0.7
295.22891	2.4
296.23145	1.2
311.22211	0.8
377.59891	0.4
509.16864	2.3
559.25562	1.2
714.43427	0.7
787.39594	88.5
788.39972	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94057	0.0
61.98833	100.0
62.98535	0.3
71.49822	0.1
78.95909	0.1
80.65829	0.1
80.96512	0.3
140.21413	0.1
152.75226	0.1
164.98679	0.1
209.11830	0.3
210.12184	0.3
211.12341	0.1
213.02853	0.1
225.00563	0.1
277.21912	0.1
278.22269	0.1
279.22949	0.1
362.91339	0.1
786.50159	0.1
787.39349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
58.00621	0.3
59.01379	6.0
61.98825	1.4
63.39389	0.4
69.03452	1.1
70.10992	0.3
70.86900	1.0
71.01385	2.8
73.02950	0.7
75.40976	0.4
81.80437	0.4
83.05021	0.4
84.63222	0.3
85.02933	0.9
87.00910	0.8
89.02481	1.9
97.02969	0.4
97.06590	0.4
99.50468	0.3
101.02435	2.5
102.73277	0.3
109.06615	0.8
111.00934	0.4
111.08163	4.6
113.02454	1.3
116.92165	0.3
116.92888	1.3
117.92899	0.7
118.92712	0.4
119.03536	0.7
121.02973	16.2
123.04572	0.5
123.08208	0.5
125.02502	2.0
125.09731	0.5
135.11714	0.4
143.03470	0.5
151.04048	0.6
151.11258	0.6
153.09312	0.7
153.12891	0.7
161.04611	1.6
163.11324	0.5
167.10722	0.3
169.12363	5.5
170.12741	0.6
171.10228	1.0
179.05690	0.5
179.10843	0.8
181.05122	0.4
181.12320	0.4
193.12405	0.6
197.11847	100.0
198.12187	5.7
199.13448	1.6
207.10216	1.7
209.04573	10.1
209.06520	0.5
209.11787	3.4
210.04924	0.7
211.13467	3.6
223.13423	0.8
225.11353	1.1
227.12874	1.1
235.08209	4.7
253.09285	10.2
254.09758	0.5
263.20117	1.1
265.18167	0.6
291.19647	9.7
292.20221	0.6
293.21210	1.2
309.20715	29.3
310.21152	2.4
341.23248	1.5
343.24591	0.5
356.64719	0.5
401.08832	0.7
433.20789	6.4
434.21146	1.0
489.32220	0.7
527.28296	0.8
545.29547	1.9
595.30975	0.5
725.40741	0.5
753.41211	0.6
785.43549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03450	2.0
58.00578	0.6
59.01379	14.5
61.98833	100.0
62.98535	0.6
62.99254	0.5
63.99241	0.6
67.05533	0.9
68.99825	1.4
69.03460	0.6
71.01388	21.2
72.99308	1.3
73.02952	4.3
75.00884	0.6
78.91897	18.1
78.95924	0.8
79.95763	1.1
80.41144	0.4
80.71832	0.4
80.96529	2.1
83.01392	2.6
83.05040	1.1
85.02962	7.5
85.06596	0.8
86.00101	0.6
87.00887	3.5
87.04530	1.9
88.98782	0.6
89.02454	12.1
94.98121	0.6
95.01411	2.3
96.96060	0.7
97.02958	0.7
99.00911	1.8
101.02457	13.7
107.04926	0.4
109.03009	0.6
111.00918	1.0
111.04533	38.2
112.04891	1.6
113.02475	7.7
113.06125	1.5
119.03513	5.1
121.02992	0.4
123.04541	1.1
125.02472	4.0
131.03539	3.4
135.04547	0.6
137.02486	1.0
139.04018	0.4
143.03503	1.2
150.03210	0.6
151.04019	1.1
155.70477	0.4
159.03021	0.9
161.02501	0.7
161.04578	7.2
164.98587	0.5
165.01988	0.8
171.10315	0.7
175.04050	0.8
179.05629	4.5
191.05603	2.7
193.12453	1.0
205.05112	0.7
207.10133	0.5
209.11855	2.2
219.06595	0.4
221.06403	4.1
221.08298	2.0
222.06915	0.5
225.00696	0.6
225.11346	0.9
227.12798	0.5
249.11349	0.5
287.20169	1.3
289.07190	0.8
301.14569	0.7
349.20627	0.5
360.31070	0.4
361.16489	0.6
373.15326	0.5
445.25839	1.2
511.25400	5.8
512.25610	0.8
655.29144	0.4
673.30951	19.2
674.31653	3.6
733.55823	0.4
785.36230	62.6
786.36646	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	785.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
59.01379	6.7
61.98835	5.1
63.62410	0.4
68.99818	0.6
69.03464	0.5
71.01392	9.5
71.71604	0.5
72.99317	0.5
73.02945	3.0
75.00864	0.6
75.88971	0.5
79.01898	12.7
80.96526	1.9
83.01395	1.3
84.75498	0.4
85.02934	2.7
87.00895	2.6
87.01360	0.4
87.39973	0.4
89.02451	4.3
93.03468	1.1
94.98085	0.8
95.01408	0.7
97.02953	1.0
99.00905	1.2
101.02460	5.4
109.02971	1.5
111.00922	0.5
111.03795	0.9
111.04536	13.1
112.04887	0.8
112.74924	0.4
113.02468	3.6
116.92877	0.4
119.03516	1.9
121.06631	0.5
122.03814	0.7
123.00938	0.4
123.04537	1.3
124.01682	0.7
125.02487	3.8
131.03537	2.2
134.03769	0.7
135.04543	0.9
136.05342	0.5
137.02496	1.3
139.04115	0.5
145.06209	0.5
145.19858	0.4
148.05324	11.5
149.02391	1.3
149.05766	0.9
150.03249	1.2
151.00392	2.0
151.04070	2.2
152.01178	0.6
153.02000	0.5
161.02481	1.1
161.04599	2.1
163.07678	14.3
164.07976	1.0
164.98535	0.5
165.01917	0.6
165.05597	1.2
166.06432	1.0
167.07053	0.4
173.04532	0.4
177.01971	2.1
177.05553	0.5
178.02652	1.4
179.03445	1.1
179.07152	0.6
179.10796	0.5
180.04257	1.3
185.28555	0.4
191.03993	0.4
191.05647	2.8
191.07083	0.6
191.10783	1.3
192.07919	3.2
193.08678	0.8
194.05881	1.1
195.06613	1.3
198.05409	2.4
205.05070	3.9
206.05719	0.9
206.99426	0.7
207.06592	1.1
207.10338	0.6
209.08141	1.0
209.11726	0.7
219.06630	14.3
219.09996	0.6
220.07397	9.6
221.04778	0.6
221.06392	0.9
221.08295	5.6
222.08939	2.4
225.00519	0.5
231.06638	0.6
233.05974	0.9
233.08197	10.5
234.08536	1.3
235.09831	1.8
245.08179	1.2
247.09618	0.8
249.11353	0.7
252.06343	5.6
257.04523	0.6
259.09708	0.9
261.11206	0.6
263.09250	22.4
263.12781	2.3
264.09592	1.6
275.09238	1.1
287.05472	0.6
289.07169	1.8
289.14423	5.4
290.14563	0.5
299.02173	0.6
299.12936	1.7
305.13895	1.6
306.14615	0.5
317.02884	0.7
317.13937	16.3
318.14374	1.7
319.15497	1.1
321.16946	0.5
331.18872	0.7
333.13480	9.7
333.17178	0.7
334.13934	1.2
343.15704	0.6
359.18515	3.6
360.18961	0.6
361.16516	4.1
373.18732	0.8
375.18069	0.7
376.18750	0.7
385.13254	0.5
408.18106	0.6
443.24414	1.1
445.25940	4.7
449.15057	0.7
605.57751	0.5
785.36273	100.0
786.36627	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
58.70748	0.3
58.95209	0.4
59.01379	36.3
60.01732	0.5
63.02399	1.0
64.39962	0.3
65.00324	16.3
66.00664	0.4
71.01388	3.4
71.72150	0.6
71.72514	0.4
73.02961	1.3
74.55904	0.4
83.01389	7.6
85.02962	2.0
89.02480	0.4
95.01387	0.8
99.00913	0.8
101.02454	4.0
103.03893	0.4
105.03472	0.5
107.01402	23.9
108.01739	0.5
109.02971	1.0
111.00909	0.5
113.02441	1.7
121.02975	1.0
122.03722	0.5
123.00860	0.7
123.04531	6.3
124.01688	2.4
124.04874	0.3
124.73550	0.4
125.02463	24.4
126.02803	1.1
133.02997	1.6
135.04556	2.2
137.02449	0.8
139.00369	0.6
139.04012	0.7
147.04576	0.7
149.02448	2.3
150.03249	13.2
151.00388	100.0
151.04010	18.3
152.01186	14.8
152.04326	0.8
153.01999	2.5
161.02419	0.3
161.04605	1.4
169.01472	2.3
171.04573	0.7
173.02524	0.4
174.03230	0.6
175.03992	4.8
176.01202	1.4
177.01944	4.8
178.99875	19.0
180.00281	0.8
181.01462	0.6
185.06143	0.7
188.04649	0.4
189.05544	1.3
191.05624	1.3
193.05048	0.5
197.06042	0.5
198.03271	0.6
198.35889	0.4
199.04018	3.8
200.04449	0.5
201.01991	1.0
213.05577	1.0
215.03458	0.8
216.04314	0.7
217.05052	2.8
219.03024	0.5
229.05048	0.6
231.06708	0.6
239.03516	0.4
241.05066	2.9
242.02409	0.4
249.13411	6.3
257.04584	1.6
259.06107	1.5
275.05591	1.8
285.04044	56.7
286.01349	0.7
286.04373	4.7
291.14487	4.5
297.09781	3.4
301.03592	0.5
302.04300	2.8
303.05109	32.2
304.05502	3.0
323.07834	2.6
324.07980	0.4
431.10013	1.1
449.10876	77.8
450.11200	9.1
778.50824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.1
61.98830	100.0
62.98532	0.2
62.99251	0.1
63.99257	0.3
71.01391	0.1
71.04980	0.1
71.05312	0.1
79.95733	0.1
80.96529	0.2
83.63430	0.1
94.98120	0.1
103.44926	0.1
104.01112	0.1
109.45367	0.1
125.02447	0.1
128.84509	0.1
137.02516	0.1
148.14990	0.1
156.20316	0.1
187.70906	0.1
191.05687	0.2
207.10321	0.1
209.11868	0.2
329.80499	0.1
340.10831	0.1
769.20660	0.1
784.36194	0.1
785.37311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
59.78765	0.1
61.91657	0.1
61.98835	100.0
62.05875	0.1
62.98546	0.1
70.87534	0.1
71.01411	0.2
75.00847	0.1
78.95920	0.1
79.95725	0.1
80.96535	0.5
85.02930	0.1
88.01977	0.0
88.98832	0.1
94.98126	0.2
101.02482	0.1
111.04529	0.1
125.02490	0.2
134.97664	0.1
137.02507	0.1
164.98706	0.1
171.10382	0.1
191.05632	0.1
197.12030	0.1
203.14391	0.0
207.10324	0.1
209.11899	0.2
211.13503	0.1
225.00790	0.2
225.11458	0.1
243.12445	0.1
289.07257	0.1
401.40576	0.0
648.22260	0.1
684.19830	0.1
784.36707	0.1
785.36487	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	781.444
Annotation	lugdunin
Peak:m/z	Relative Intensity
61.98826	0.7
63.96231	2.7
64.96695	0.6
70.24022	1.5
70.24414	1.6
71.01388	10.3
73.02934	1.8
78.98598	7.2
79.95749	17.5
80.20602	0.6
80.96524	97.6
81.03448	0.7
84.97558	0.7
85.02956	2.6
87.00890	2.6
94.76051	0.6
94.98097	22.5
96.96018	2.3
97.02962	1.9
99.00892	1.2
101.02470	3.6
106.98090	3.8
116.92870	0.6
122.97603	5.2
125.02445	3.8
134.97629	5.9
136.99164	2.3
148.99165	7.4
152.98640	8.0
164.98663	16.0
206.99706	3.7
211.13445	2.4
225.00749	24.7
226.01120	1.2
243.01720	0.7
255.23326	1.5
283.04910	0.8
294.90750	0.7
525.19952	2.5
537.27301	1.0
706.98676	0.7
735.61804	0.7
749.41766	1.1
781.44415	100.0
782.44769	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
58.00606	0.2
59.01384	3.1
61.98833	0.4
71.01382	2.1
73.02953	0.4
80.02674	0.8
80.96529	0.5
81.03479	0.8
83.01389	0.3
83.05033	4.1
84.02178	0.5
84.05325	0.2
85.02967	0.6
87.00883	0.3
89.02446	1.9
95.01400	0.2
95.05023	0.7
95.55270	0.2
97.06606	0.2
101.02456	1.8
109.06601	0.4
113.02489	0.9
116.97314	0.1
119.03510	0.5
125.02457	0.3
125.03316	0.2
125.06146	0.3
135.08180	0.6
143.03461	0.2
161.04570	0.9
163.11314	3.0
165.12856	2.3
170.66713	0.2
179.05629	0.5
181.12404	0.5
191.10780	0.8
199.13426	0.2
209.11839	100.0
210.12183	7.0
213.19110	0.2
227.12894	11.1
228.13203	0.7
235.08258	1.2
253.09286	7.3
254.09564	0.2
275.20157	0.2
277.21722	46.9
278.22083	4.8
293.21271	1.0
445.20871	2.4
446.21130	0.3
463.21692	0.2
513.30585	0.3
783.42206	0.7
784.47168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72762	0.2
59.01379	0.8
63.96236	1.5
69.03453	0.8
71.01385	7.9
71.01760	0.5
72.99309	0.4
73.02959	1.5
75.00870	0.7
78.98594	5.3
79.95743	100.0
80.96521	75.7
81.03463	0.6
85.02953	3.1
87.00877	2.9
93.97295	0.3
94.98096	15.7
95.01365	0.4
96.96015	2.1
97.02963	1.8
99.00883	0.6
99.04519	0.3
101.02455	2.2
105.13905	0.3
106.98096	3.7
111.94743	0.6
113.02493	0.5
115.04000	0.3
122.97605	4.8
125.02460	3.1
127.03989	1.2
129.23972	0.3
134.96609	0.5
134.97597	6.7
135.98418	0.3
136.99150	3.4
143.03458	0.3
146.97609	0.3
148.99159	5.9
150.97159	0.3
152.98650	7.2
161.04575	1.9
162.06528	0.2
164.98639	11.5
165.98972	0.2
167.00203	0.5
171.10368	0.3
179.00238	0.7
188.98619	0.6
197.01245	0.7
206.99712	4.6
223.99942	1.6
225.00743	27.5
226.01042	0.8
241.00243	3.7
243.01834	0.4
245.48108	0.3
255.23314	2.3
256.23499	0.3
281.03369	0.4
283.04907	2.0
293.17862	0.3
341.05481	7.3
355.07010	2.0
381.08835	0.4
383.10190	0.6
397.11771	1.3
411.13303	0.3
413.07846	0.8
423.13361	0.3
425.14832	5.8
426.15155	0.7
469.13788	0.4
483.15042	0.5
497.17059	0.5
507.15430	1.5
511.18234	0.2
525.16614	0.5
537.27435	5.1
538.27863	0.8
553.26227	0.8
555.28339	0.4
570.04181	0.3
579.28113	0.5
595.27704	0.6
609.29779	1.9
623.31317	0.7
628.27588	0.3
636.04755	0.3
637.32800	2.6
638.33075	0.7
651.34534	1.2
665.36072	1.0
679.37445	2.8
680.38049	0.8
709.38464	0.7
712.37390	0.4
735.40216	1.2
763.39722	36.0
764.40088	9.9
781.40747	45.9
782.41083	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	781.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
62.96403	0.3
63.96244	0.5
69.03446	0.7
69.25912	0.4
71.01389	3.4
78.95914	47.8
78.98592	1.5
79.95748	10.4
80.02685	1.1
80.96524	29.0
81.03467	1.9
83.01423	0.5
83.05031	5.1
84.02168	1.1
85.02967	1.1
87.00900	0.8
94.97556	0.5
94.98108	6.5
95.05012	0.4
96.96038	0.8
96.96980	11.2
97.02960	1.0
98.20662	0.6
99.00883	0.4
101.02452	0.6
106.98094	1.6
108.12601	0.3
109.06622	0.4
109.54827	0.3
122.89456	0.3
122.97592	1.7
125.02477	1.3
125.06115	0.6
127.04066	0.4
134.97641	2.4
134.98532	0.5
135.08162	1.3
136.99141	0.6
142.96956	0.4
148.99164	1.8
152.98685	1.0
152.99632	11.3
163.11317	4.4
164.98654	4.6
165.12840	2.0
178.94202	0.4
181.12286	0.7
191.10794	0.9
206.99686	1.1
209.11845	45.2
210.12196	3.3
223.00110	3.1
225.00761	9.9
227.12854	4.3
237.06761	0.3
241.01190	24.8
242.01491	0.9
255.23294	30.6
256.23618	3.0
259.02255	1.8
283.04874	0.5
297.03912	0.7
315.04956	0.6
337.20517	0.9
363.12073	1.1
391.22592	1.0
425.14905	0.6
525.16882	1.2
537.27405	1.0
553.27728	1.2
571.28571	0.5
737.38544	0.5
763.39764	5.1
764.40234	1.1
781.41504	100.0
782.41840	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	781.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.1
59.67318	0.4
63.02390	1.7
65.00319	3.4
71.01388	2.7
71.71786	0.4
72.99323	0.5
75.00915	0.8
83.01393	2.6
85.02947	2.5
87.00925	0.5
91.01908	0.5
93.03487	0.8
95.01395	0.4
99.00902	0.4
103.00361	0.7
107.01403	7.5
109.02970	3.4
113.02475	1.6
119.01374	0.6
121.02979	6.0
124.01588	0.4
135.00943	0.5
138.02002	0.6
139.04050	0.9
149.02443	1.2
151.00386	29.2
152.00757	0.9
159.04573	0.7
163.00388	4.5
163.04004	0.4
164.01096	0.5
169.01392	2.6
175.02516	1.0
175.03992	0.3
178.99878	15.1
180.00247	0.5
183.04559	0.6
187.03961	1.3
189.05695	0.4
193.01486	0.5
197.04594	0.6
201.05562	0.8
203.03429	0.5
203.60106	0.4
211.04012	1.6
214.02695	0.6
227.03511	1.7
227.12825	1.2
229.04982	2.0
239.03436	0.9
243.02919	0.7
243.12337	0.6
245.04543	3.1
255.02989	6.0
256.03555	0.6
257.04495	0.7
271.02554	1.5
272.02927	0.8
273.04044	2.7
283.02478	3.0
287.03836	0.4
299.02008	1.9
300.02707	2.4
301.03540	100.0
302.03931	8.3
303.14444	5.9
380.07974	0.4
477.06744	76.4
478.07031	8.9
609.14966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01377	1.8
61.98836	5.3
67.01892	0.5
71.01382	1.6
73.03006	0.5
78.95922	0.8
80.96538	0.4
83.05041	0.7
85.02965	13.3
85.59651	0.4
87.00877	2.7
88.94090	0.5
88.98832	2.6
93.03470	5.8
94.03813	0.5
98.19817	1.1
99.04533	0.5
109.02969	1.7
111.04531	7.2
116.92799	0.6
123.08155	0.7
124.01585	0.5
127.04041	3.1
133.02887	0.5
135.04549	3.8
137.02512	0.9
137.06129	0.5
139.07324	0.5
151.04057	1.1
161.02579	0.6
165.05452	0.6
171.03026	0.9
171.10262	0.7
173.04625	2.5
174.03227	2.1
177.02046	0.8
179.03432	0.9
181.05096	1.5
187.03957	0.6
191.05630	100.0
192.05968	4.0
194.05846	0.7
207.06596	1.0
208.07466	1.1
209.11722	1.1
212.04727	0.5
217.05148	1.0
219.06642	1.3
220.85452	0.5
221.08179	4.4
225.05605	3.7
227.03476	0.6
233.08214	5.3
234.08842	1.0
241.05038	0.7
242.02191	0.5
247.09770	1.2
252.04489	0.4
263.12833	1.9
279.10370	0.7
280.03683	0.5
288.13742	1.6
289.14459	6.4
290.15027	0.9
295.09769	13.8
296.03387	0.6
296.10165	1.3
301.14423	3.0
303.16037	0.9
308.06815	1.5
309.11252	0.7
311.09290	1.4
311.12698	0.5
315.19751	0.6
323.09225	13.1
324.02811	1.1
324.09705	1.9
326.15280	0.6
327.16064	1.9
337.10846	0.6
339.09027	0.5
351.07523	0.6
352.07849	0.7
355.10703	0.7
355.15924	0.5
356.16309	1.2
357.16721	0.8
357.20724	4.4
358.21411	0.8
359.14252	1.0
359.18655	15.0
360.19073	3.2
364.16910	0.6
367.08057	2.3
368.08792	0.7
371.15155	2.7
371.22327	2.3
379.18909	0.6
381.09753	0.8
392.16333	30.9
393.16635	5.0
405.17001	0.7
425.23257	1.7
428.25592	5.0
429.26459	20.3
430.26651	2.8
433.23770	1.0
436.15302	1.5
449.16187	1.1
476.22168	2.3
477.22552	1.0
479.20767	0.6
505.19031	3.2
520.20935	0.9
545.20667	0.6
545.28961	7.8
546.29596	2.0
589.28162	21.7
590.28223	5.4
628.22083	1.1
781.34564	14.6
782.34930	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	779.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77856	0.1
59.01375	0.2
60.99307	16.6
61.98824	0.6
65.52431	0.1
70.58513	0.3
71.01384	1.1
72.99295	0.1
83.05032	0.1
83.35591	0.1
85.02952	0.2
87.00896	0.5
88.00409	0.5
88.98814	100.0
89.02442	1.4
89.99154	1.1
101.02470	0.2
105.01926	0.2
109.06596	0.1
113.02435	0.2
116.92863	0.3
125.02413	0.2
125.09724	0.2
163.11261	0.1
171.10309	0.6
191.05531	0.2
201.11270	0.2
207.10222	0.4
209.11852	1.8
210.12181	0.2
225.11311	0.4
227.12804	0.3
228.13182	0.1
253.09137	0.2
397.13226	0.1
461.19943	0.1
477.24774	0.1
617.31860	0.1
757.88696	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	779.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.2
59.98558	0.7
61.98834	17.9
69.03448	1.4
71.01378	3.8
71.72749	1.2
73.02928	1.4
75.00552	0.6
78.95910	5.1
80.19673	0.9
80.96518	2.9
85.02953	1.0
85.06576	0.7
87.00893	1.2
89.02447	2.4
94.67248	0.6
94.98103	0.9
95.01398	0.7
95.74439	0.6
96.96999	1.3
101.02442	2.7
109.06540	0.8
113.02427	1.8
119.03449	0.8
152.99693	1.3
161.04570	1.5
163.11374	0.9
167.10826	2.0
179.14372	1.8
181.12444	1.0
195.13979	5.2
196.14383	0.8
205.12341	7.1
207.10355	1.5
223.13405	76.9
224.13754	5.5
225.11382	1.6
235.08250	8.5
241.01166	2.3
253.09303	9.1
255.23293	3.2
277.21719	100.0
278.22086	11.8
441.21286	3.5
459.22366	6.9
513.30554	2.1
600.45007	0.8
621.19257	0.7
626.92957	0.7
662.68445	0.9
719.44238	2.7
779.39990	9.5
780.39972	1.5
794.82263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.1
58.19620	0.1
59.01373	0.2
65.00325	0.3
71.01393	0.2
72.00909	0.1
74.02487	0.1
77.61622	0.1
83.01392	0.1
89.00329	0.3
89.02455	0.1
93.03436	0.2
95.01402	0.2
102.21074	0.1
104.03092	0.1
104.03572	0.8
105.03451	0.1
107.01425	0.2
109.02985	0.2
111.16008	0.1
115.05555	0.5
117.03478	0.2
119.05022	0.2
121.02996	0.1
123.04510	0.2
125.02467	0.9
131.05017	0.2
133.03014	0.1
135.00893	0.1
137.02563	0.1
143.05066	1.3
145.02942	0.5
145.03999	0.1
147.04559	0.7
149.02460	1.0
151.00394	0.7
151.04048	0.1
158.03644	0.1
159.04541	1.3
161.02473	0.3
161.06116	0.4
163.04066	0.3
165.01956	0.2
169.02948	0.2
170.03728	0.1
171.04555	1.8
173.02461	1.3
175.04027	0.3
176.01231	0.1
177.01920	0.2
185.02467	0.1
187.04021	1.9
187.05553	0.2
188.04497	0.2
189.01971	0.3
191.03522	1.2
191.05605	0.5
197.02454	0.3
197.11913	0.1
199.04086	0.2
203.03529	0.9
209.11800	0.4
213.01938	0.6
214.02728	0.2
215.03503	5.2
216.00624	0.1
216.03879	0.3
217.01431	0.8
229.01450	0.3
230.02028	0.2
231.03015	0.8
241.01454	0.3
242.02138	0.3
243.02942	0.5
257.00943	0.5
257.04507	0.1
258.01434	0.6
258.04474	0.1
259.02460	100.0
260.02789	7.2
261.04056	0.5
273.16086	0.1
309.75668	0.1
397.13828	0.1
477.10684	0.1
519.11700	0.4
544.02899	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	777.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77203	3.5
59.01376	3.8
61.98833	58.9
71.01385	4.8
71.73235	4.6
78.95930	19.5
95.39262	3.6
110.04156	3.3
115.17863	3.9
152.99600	7.2
160.07614	4.0
199.13332	10.9
201.11375	27.4
207.10345	5.8
209.11859	55.5
225.11330	7.7
227.12910	45.1
235.08214	9.0
253.09338	16.3
273.04279	3.9
277.21735	100.0
278.22101	12.4
365.93796	4.4
373.19684	4.3
373.34723	3.8
445.20633	6.7
463.21805	14.5
513.30774	7.5
697.41968	6.6
723.43378	24.6
724.43420	6.4
777.41907	30.5
778.42615	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	777.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70996	0.1
56.52328	0.1
57.03456	1.1
59.01386	1.7
61.98833	0.3
62.36018	0.1
68.99856	0.1
69.03472	0.4
69.48013	0.1
71.01392	0.9
71.71760	0.2
78.95900	1.0
81.03471	0.2
83.01408	0.3
83.05039	0.2
85.02963	2.5
85.06596	2.1
87.04540	1.0
95.01397	1.1
95.05036	2.3
95.05596	0.2
96.02190	0.4
97.02950	0.7
97.06614	0.2
99.04548	0.1
108.02237	0.2
109.02991	0.3
109.06608	0.2
110.31244	0.1
111.04540	3.6
111.08180	2.4
113.02467	1.5
113.06092	1.5
119.05074	0.2
121.06647	0.4
122.03748	0.4
123.04572	0.4
123.08156	0.8
123.19880	0.1
124.05338	0.9
125.02477	0.4
125.06104	0.3
125.09727	0.1
137.02446	0.2
137.06122	0.3
139.04085	0.2
139.07680	4.4
139.11354	0.1
140.07996	0.2
141.05608	0.3
141.09242	0.3
149.02431	0.1
149.09758	0.2
150.03276	0.3
151.04016	0.5
151.07687	0.3
151.11253	0.1
152.99606	0.5
155.07187	1.8
158.02199	0.2
163.04048	0.3
163.07750	0.1
164.04706	0.2
165.05591	1.7
165.09201	0.3
167.07103	0.3
171.76390	0.1
177.01974	0.3
177.05669	0.2
177.09198	0.2
178.06331	0.2
179.07159	0.3
181.05103	1.4
183.06645	22.0
184.06955	0.8
190.09982	0.5
191.03542	1.8
191.05223	0.2
191.05534	0.2
191.07149	1.4
192.07899	1.6
193.08633	0.4
193.12372	1.5
195.06667	0.4
197.77525	0.1
203.14479	0.2
208.07375	0.2
211.13475	0.3
219.06627	1.4
220.07361	0.3
221.08228	0.3
223.06033	0.2
224.06964	0.1
229.12245	0.2
233.07967	0.1
234.08986	4.8
235.09537	0.2
237.14970	0.2
245.15388	0.3
247.13301	0.9
255.23448	0.2
261.15109	0.2
265.14441	4.5
266.14740	0.3
289.14386	0.4
289.17877	0.2
290.15204	0.6
294.24149	0.1
299.16553	0.3
313.50992	0.1
315.19583	1.0
316.16608	0.2
317.17618	3.2
318.17978	0.6
329.23447	0.2
331.19113	1.5
333.17001	0.3
333.20645	1.1
334.14148	0.1
334.21014	0.2
335.18503	0.9
341.17542	0.2
359.18668	12.6
360.19064	1.1
362.17361	0.3
377.19705	100.0
378.20041	10.7
465.22357	0.2
515.40546	0.2
584.85730	0.2
648.27502	0.1
777.38257	13.6
778.38617	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	775.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98540	0.2
70.29199	0.7
76.06664	0.2
100.44234	0.1
104.38468	0.1
207.06664	0.2
221.08197	1.0
222.08955	0.2
345.20633	0.8
429.26498	1.8
430.27051	0.3
540.66321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01376	0.9
63.02399	3.5
65.00328	10.6
67.01889	0.5
71.01385	0.7
71.02584	0.7
71.02901	0.4
73.87652	0.3
74.03562	0.3
83.01395	6.3
83.05061	0.6
84.90765	0.4
85.02960	6.2
87.00888	1.1
93.03476	3.1
107.01405	21.5
107.05048	0.7
108.02229	0.5
109.02966	30.0
110.03330	1.1
111.04527	1.1
119.05048	0.4
121.02953	0.5
125.02472	5.9
126.02792	0.4
127.04042	1.5
133.02991	2.0
134.03761	2.8
135.04544	27.9
136.04868	1.4
137.02470	0.5
140.36687	0.4
149.02489	0.8
151.00391	71.5
152.00723	3.0
153.01941	0.6
155.03529	0.6
161.02504	2.4
163.03979	0.7
165.01823	0.4
169.01437	4.5
171.03012	0.5
171.83669	0.3
173.04610	2.8
177.01988	1.0
179.03511	27.2
180.03841	1.3
185.02708	0.3
191.05624	100.0
192.05981	4.1
199.03996	0.7
215.03452	0.4
215.05458	0.4
243.02950	2.3
256.28345	0.4
259.02493	0.8
261.04022	71.6
262.04367	5.9
273.91843	0.5
313.05716	1.3
351.07129	0.5
352.07538	0.4
353.08783	53.5
354.09140	5.7
399.69635	0.4
423.09332	94.6
424.09665	11.6
425.09787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
58.00589	0.5
59.01383	8.4
67.01896	0.8
68.99454	0.3
68.99812	1.1
69.03450	0.8
71.01387	9.6
71.21890	0.3
71.71642	0.3
72.99313	2.9
73.02952	1.3
73.14222	0.3
75.00880	10.6
81.03493	0.8
82.23953	0.3
83.01380	0.8
83.05012	0.4
85.02959	11.9
87.00890	4.1
87.48042	0.2
89.02456	2.3
91.04002	0.4
93.03470	2.1
95.01402	3.3
97.02972	0.4
99.00896	6.4
101.02466	0.9
103.00391	1.0
109.02976	0.7
111.00890	1.0
113.02468	13.5
114.02768	0.4
115.00395	1.2
117.01953	1.5
121.02973	53.9
121.10250	1.7
122.03300	2.4
123.08168	2.7
124.01678	1.0
125.02440	1.0
129.01973	1.3
135.04529	0.5
136.05328	0.5
139.00352	0.3
139.04050	1.6
151.04095	0.3
157.01477	0.5
165.09238	46.0
166.09576	2.5
173.04593	0.5
175.02493	1.3
189.04079	0.8
191.05576	1.9
191.07178	3.8
192.07518	0.3
209.08218	1.2
227.03487	0.9
231.05119	3.5
243.02948	0.7
249.06148	36.0
250.06439	2.1
261.04068	1.1
283.60193	0.3
353.08792	1.2
371.09799	100.0
371.13638	27.9
372.10123	9.7
372.13989	2.9
389.06451	0.5
389.18106	0.8
435.09250	0.4
454.20425	0.3
486.18808	0.4
786.86951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16353	0.3
55.77337	0.3
61.98833	100.0
65.25349	0.3
66.35847	0.3
69.37826	1.4
69.38255	2.3
107.74017	0.3
111.04523	2.6
117.60552	0.3
123.04512	0.3
123.08188	0.8
146.76277	0.3
151.04039	2.8
153.03860	0.3
165.09251	0.4
177.09280	0.7
179.03647	0.4
180.04327	1.4
193.05069	0.3
193.08743	0.6
203.07123	1.6
207.06647	2.4
208.07312	1.9
219.06700	1.1
221.08199	41.1
222.08928	10.8
223.09541	0.4
233.08145	2.5
234.08759	0.6
235.09778	2.1
236.10431	0.5
261.11041	0.4
270.18707	0.4
275.16522	0.8
290.93542	0.3
301.21716	1.8
328.77579	0.4
345.20731	36.7
346.21072	4.4
360.19452	0.7
385.27905	0.4
429.26459	69.5
430.26801	10.4
439.91721	0.4
477.69876	0.4
525.06976	0.4
632.56451	0.3
775.48456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21951	0.3
69.44658	2.8
70.83418	0.3
73.50514	0.3
74.93665	0.3
78.95935	0.3
85.06598	0.6
87.86412	0.3
98.20641	0.6
111.04539	3.8
122.97607	0.4
123.04538	0.9
123.08147	0.6
126.51396	0.3
132.50748	0.3
138.03250	0.3
151.04030	4.2
152.04436	0.4
152.99669	0.4
165.05481	0.4
166.02719	0.3
177.01933	0.4
177.09244	0.4
177.12779	0.4
179.03519	0.6
179.10886	0.3
180.04285	2.4
191.03511	0.5
191.10658	0.4
193.05096	0.3
193.08777	0.9
193.12308	0.3
203.07124	1.9
207.06636	3.4
208.07378	1.7
209.08127	0.7
219.06581	2.1
221.08197	57.7
222.08884	13.9
223.09296	0.9
233.08215	3.0
233.15367	0.4
234.08844	0.6
235.09738	7.4
236.10347	0.4
245.19069	0.3
247.09685	0.5
247.17073	0.4
255.23308	0.4
261.11322	0.4
275.13620	0.3
275.16504	1.5
287.75473	0.3
294.05563	0.3
299.20200	0.6
301.21738	1.6
303.16116	0.5
317.14291	0.4
327.19635	0.4
331.19131	0.7
345.20718	49.0
346.21048	5.6
359.18381	0.5
360.19354	1.1
402.39401	0.3
429.26462	100.0
430.26801	15.9
430.32822	0.5
443.27765	1.4
444.28580	0.4
492.51596	0.3
539.25806	0.3
775.47705	1.4
776.49164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
56.12880	0.2
70.34830	0.2
71.05029	0.3
78.95890	0.4
79.01926	0.3
79.95752	0.5
85.06602	0.7
94.98126	0.3
107.05023	0.4
109.06641	0.3
111.04529	3.8
111.08178	0.5
117.69524	0.2
121.06667	0.3
122.03763	0.3
122.97593	1.5
123.04562	0.9
123.08179	1.0
127.59188	0.2
135.04591	0.2
138.03261	0.3
149.02318	0.2
151.04028	4.3
152.04510	0.2
163.07761	0.2
164.04768	0.3
165.05566	0.5
165.09180	0.2
166.02768	0.2
175.11224	0.2
177.02029	0.4
177.09209	0.6
179.03470	0.6
180.04282	2.1
187.07721	0.2
187.94196	0.2
188.08430	0.2
191.03500	0.9
191.07155	0.5
191.10823	0.6
193.08665	1.3
203.07172	2.4
206.09488	0.3
207.06650	3.1
208.07416	2.2
209.08154	0.7
209.15355	0.3
217.12294	0.2
219.06622	2.5
221.08194	62.3
222.08891	16.1
223.09367	0.7
230.13167	0.2
231.17508	0.3
233.08157	3.3
233.15428	0.6
234.08850	0.6
235.09749	4.2
235.16939	0.4
236.10020	0.3
245.19067	0.3
247.09766	0.5
255.23222	0.8
261.11252	0.5
275.16629	1.9
289.14276	0.5
299.20123	1.0
301.21719	1.7
303.15854	0.3
317.13980	0.4
327.19684	0.6
343.19464	0.3
345.20718	50.8
346.21069	6.5
359.18512	1.0
359.22394	0.2
360.19482	1.0
385.27515	0.6
411.90466	0.2
429.26459	100.0
430.26797	15.5
775.47839	1.6
776.48743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.0
61.98821	13.9
71.01370	4.9
72.07589	1.3
74.90650	1.3
78.95924	2.9
83.05040	2.0
89.02444	1.6
89.44826	1.2
101.02464	2.1
121.80650	1.3
151.80176	1.3
152.99571	1.7
163.11301	1.6
165.12881	2.0
171.10266	6.2
184.06242	1.6
195.13974	1.9
201.11330	3.9
209.11848	100.0
210.12283	7.7
214.13086	1.3
227.12907	20.6
228.13214	1.7
235.08244	6.6
253.09311	14.9
275.20200	2.3
293.21201	55.5
294.21524	7.5
295.22708	2.7
414.73169	1.6
445.20905	10.4
463.21484	2.0
529.30212	1.9
768.34784	1.6
775.40723	40.6
776.40546	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	775.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76324	0.6
59.01378	4.5
61.98828	9.7
69.67795	2.6
69.68213	2.5
71.01388	10.9
73.02934	0.6
75.00906	0.8
78.95926	6.0
83.05013	1.0
85.02980	1.2
87.00883	2.3
89.02459	2.2
89.15066	0.6
97.02961	2.2
99.00917	0.8
101.02468	3.8
108.31359	0.7
109.06608	12.4
113.02442	1.5
135.08168	1.4
142.02666	0.9
145.05080	1.3
152.99557	2.3
161.04610	0.9
163.11334	7.4
164.11729	0.8
171.10306	1.8
175.63701	0.7
181.12363	1.5
185.11885	0.9
189.09167	1.0
199.09753	1.4
207.10283	39.7
208.10551	2.1
209.11821	4.3
224.06926	0.8
225.11333	16.4
226.11705	1.5
235.08186	6.7
236.08534	0.7
253.09273	10.3
277.21725	100.0
278.22061	11.6
280.26321	0.6
299.15079	0.7
381.47079	0.7
396.57077	0.6
443.19043	3.0
461.20523	3.7
534.32227	0.7
545.22278	0.7
721.41907	13.3
722.42090	5.0
723.42560	1.1
775.49054	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.1
59.01380	0.4
60.05932	0.1
61.67445	0.1
64.70808	0.1
69.78279	0.4
69.78699	0.6
70.50104	0.1
71.01385	1.4
73.02955	0.5
75.00880	0.3
81.03473	0.4
83.01406	0.2
84.27964	0.1
85.02943	1.6
87.00893	0.2
90.11588	0.1
91.01891	0.4
93.03469	0.4
95.01433	0.2
99.00880	0.3
101.02426	0.8
111.04528	0.2
113.02483	0.9
119.05018	0.2
121.02998	0.9
121.10246	3.8
122.10561	0.2
123.00887	0.3
123.08179	5.7
124.01672	1.3
124.08554	0.2
127.04003	0.2
132.54698	0.1
135.04559	0.5
136.05309	0.5
137.06093	0.2
139.04030	1.6
139.84184	0.1
147.08139	0.6
163.04068	0.2
164.08398	0.2
165.09221	100.0
166.09570	5.9
166.10687	0.1
179.10674	0.1
191.05612	8.3
191.07182	7.5
192.05962	2.9
192.07544	0.4
193.06029	1.6
207.10266	0.5
208.54500	0.1
209.08217	2.6
210.08452	0.2
248.07280	0.1
249.06061	0.6
250.06372	0.2
251.09204	0.2
337.09283	1.5
338.09525	1.1
339.10083	0.9
343.10437	0.2
371.13486	88.6
372.09897	0.3
372.13812	9.3
373.14130	0.1
670.21216	0.2
737.83453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.7
58.00600	0.6
59.01381	100.0
60.01717	1.3
61.98867	0.3
65.00341	0.4
71.01388	9.4
71.72112	0.4
72.99313	0.6
73.02953	3.6
81.03462	2.3
83.01405	2.1
85.02963	2.9
85.06602	0.7
87.00903	0.4
87.04536	0.4
89.02452	4.7
93.03456	0.2
95.01413	0.9
97.02945	0.4
99.00895	0.3
101.02460	6.6
102.02827	0.2
107.01450	0.3
109.06636	1.0
111.04530	2.9
113.02472	4.3
119.03514	1.8
119.15314	0.2
121.02965	0.3
125.02472	4.2
125.03317	0.4
126.02859	0.3
131.03529	0.5
133.06651	1.0
135.04523	0.2
136.05286	0.4
137.02547	0.4
141.10507	0.2
143.03568	0.9
148.02278	0.5
149.02478	0.8
149.04533	1.3
151.00410	0.7
151.07666	18.0
152.07996	1.2
153.05618	0.4
161.02428	0.4
161.04561	3.0
165.01895	0.3
166.03439	1.0
167.03622	0.6
177.05637	1.1
179.05673	0.8
191.05621	2.8
191.07195	0.3
195.06641	95.2
196.06970	5.1
221.06709	0.9
237.07788	1.0
255.12260	0.2
267.08588	0.4
267.63416	0.2
271.02441	0.4
272.66223	0.2
289.07220	0.3
290.65198	0.2
295.08057	0.2
313.16647	0.6
331.17560	3.8
331.21176	0.3
332.17786	0.4
343.91425	0.2
357.11920	15.2
358.12302	1.7
373.18677	16.4
374.19080	2.2
417.17322	0.6
433.07922	0.3
449.09302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03435	0.8
58.00602	0.3
59.01086	0.3
59.01376	4.2
61.98833	2.5
67.73869	0.2
69.03451	0.3
69.49118	0.8
69.49551	0.7
71.01385	4.1
71.05029	0.3
72.99317	0.3
73.02953	0.8
78.95890	0.2
80.02681	1.2
81.03463	1.4
83.01395	0.6
83.05028	4.8
84.02165	0.8
84.05373	0.2
85.02956	2.8
87.00867	0.9
89.02448	3.0
91.04060	0.2
93.03437	0.2
95.01408	0.4
95.05042	0.9
96.96016	1.1
96.96992	0.2
97.02971	0.6
97.06596	2.5
98.19917	0.3
99.00877	0.3
101.02450	3.8
101.03081	0.2
109.02997	0.2
109.06593	0.4
110.03706	0.3
111.04525	0.3
111.08160	0.3
113.02473	2.4
116.92885	1.3
119.03503	0.9
123.08177	0.3
125.02473	0.4
125.06090	0.6
125.09733	0.9
127.11298	0.9
127.57533	0.2
133.05084	0.4
135.08138	0.7
137.09752	0.4
143.03513	0.5
145.05113	0.7
147.11655	0.3
149.09615	0.2
155.10812	1.0
155.14438	0.3
157.05139	0.2
161.04576	1.9
161.09746	0.2
163.11293	3.7
164.11627	0.2
165.12863	3.0
167.10771	0.2
167.14531	0.3
171.10281	5.6
172.10712	0.2
175.11304	0.2
177.12865	0.6
179.05603	0.6
179.10849	0.2
181.12346	0.8
183.13919	2.0
185.10426	0.2
185.11824	1.1
191.10840	1.0
193.12315	1.0
197.11853	0.5
199.13416	0.7
203.10898	0.2
209.11833	100.0
210.12172	6.9
211.13387	11.4
212.13725	0.7
221.11813	2.4
225.11322	0.3
227.12892	13.9
228.13176	1.1
229.14432	9.2
230.14732	0.6
235.08218	8.3
235.10637	0.3
236.08539	0.5
239.12805	1.2
247.20720	0.4
253.09274	20.9
254.09619	1.0
257.13940	0.3
273.18710	0.2
283.02472	0.2
291.19647	4.8
292.20041	0.4
309.20688	8.6
310.21051	0.8
327.21750	58.4
328.22104	5.8
445.20758	2.4
446.20978	0.3
463.21906	0.4
478.41879	0.2
519.33069	1.1
537.34167	0.4
545.29395	1.5
546.30310	0.3
563.30756	2.9
564.30792	0.7
566.49481	0.2
585.07825	0.2
746.46008	0.2
773.44049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01384	1.1
59.60549	0.3
61.98835	3.7
68.99832	0.7
69.03462	0.3
71.05017	1.8
71.72912	0.5
78.95936	0.6
80.96546	0.4
83.48349	0.3
85.02966	1.8
95.01413	0.4
97.02972	0.3
99.08170	3.3
101.06110	1.3
107.05070	0.4
109.03002	0.5
109.06609	1.1
111.00906	0.9
113.02484	0.9
125.02507	0.3
125.06080	3.8
125.09746	0.4
126.06460	0.3
127.07732	0.4
134.07385	0.3
137.02484	1.0
151.07608	0.4
152.99675	0.3
153.09258	0.7
161.06056	0.3
162.06917	0.5
163.04018	0.4
167.03537	0.5
169.08765	0.7
176.08363	0.3
177.05626	0.6
179.07176	0.8
189.05609	0.3
189.12801	0.3
193.16078	0.4
194.09480	0.8
195.06648	4.4
196.07066	0.5
197.08214	8.8
198.08530	0.4
204.07904	0.4
205.08809	0.4
206.09470	0.3
207.13869	0.3
208.07430	0.4
209.04588	2.4
221.08127	0.3
221.15614	0.4
223.06160	1.0
228.06425	0.9
231.06601	1.0
231.10236	0.4
231.13870	0.9
234.08931	0.5
235.09633	0.4
237.07703	1.3
238.08513	2.8
243.10283	0.7
245.08226	1.0
245.11853	5.3
245.14496	0.5
245.15399	0.6
246.12457	1.2
249.07639	0.3
249.14984	2.2
251.09276	0.5
259.09613	0.3
263.12863	2.6
273.11243	1.9
274.15750	0.6
281.87509	0.3
287.12891	1.1
288.13699	4.8
289.14410	3.6
291.12451	0.9
315.19565	1.9
316.20236	0.6
329.21277	0.8
331.22964	0.9
357.20731	13.3
358.21051	2.0
359.61874	0.3
360.19476	0.5
375.21783	100.0
376.22113	12.0
752.50366	0.4
773.42651	10.5
774.42920	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	773.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
58.00571	0.1
59.01383	1.2
60.99302	0.5
67.01901	1.3
69.03455	0.3
71.01382	1.2
71.71310	0.2
72.99317	0.9
73.02944	0.2
75.00874	1.8
79.97978	0.1
80.67713	0.1
81.03462	0.5
83.01410	0.2
83.05032	0.6
85.02956	4.8
87.00888	2.3
89.02457	0.4
93.03471	10.1
94.03797	0.4
99.00903	0.2
99.04514	0.2
101.02477	0.3
109.02970	0.7
111.04543	1.8
113.02478	0.4
119.05042	3.1
120.05333	0.1
125.02465	0.5
126.59896	0.1
127.04044	1.4
129.01979	0.4
133.02966	0.3
135.04549	0.4
135.08189	0.2
137.02464	0.9
137.09761	0.2
143.03497	0.2
145.02974	0.5
151.00475	0.2
151.04065	0.1
153.03308	0.1
155.03537	0.5
161.02460	1.3
162.02768	0.1
163.04022	3.3
163.07758	0.2
164.04379	0.2
171.02995	0.4
173.04567	6.2
174.04947	0.3
175.04012	0.3
179.03537	0.4
180.77489	0.1
181.08762	0.6
191.05626	100.0
192.05974	4.0
198.22705	0.1
199.04012	0.4
213.11325	2.2
239.09180	0.5
240.09346	0.1
243.02983	1.2
257.10306	6.2
258.10617	0.4
261.04004	2.0
262.04413	0.2
299.11505	0.2
337.09290	16.4
338.09583	1.8
353.08786	13.4
354.09088	1.2
375.07303	0.4
419.15561	8.8
420.15912	0.9
435.08719	0.9
528.44073	0.1
554.48077	0.1
679.84296	0.1
773.20636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35600	1.2
57.03459	1.8
59.01389	3.4
61.64175	1.1
61.98832	32.2
63.99291	1.1
71.01393	6.5
71.71708	1.6
78.95901	3.0
79.95771	1.4
80.96527	4.1
82.96137	2.1
83.05034	2.6
83.76324	1.3
85.02981	3.2
87.00895	1.6
89.02448	2.9
96.96032	12.9
96.96989	4.6
97.02972	2.1
98.95621	2.0
101.02478	3.1
109.02969	1.5
112.54752	1.4
114.93402	2.5
116.92881	5.4
125.02469	4.9
137.02473	5.7
151.03957	1.7
163.11276	3.0
165.01872	3.3
165.12868	2.5
171.10283	5.0
183.13916	7.2
191.05621	2.3
195.91849	1.4
199.13318	3.0
207.10341	2.4
209.11841	100.0
210.12192	7.3
211.13463	2.4
225.00757	1.6
227.03610	1.6
227.12903	36.5
228.13260	2.3
229.14456	2.6
232.61572	1.4
235.08203	4.3
253.09250	10.5
284.03189	1.6
287.05759	1.3
290.07626	1.7
291.19672	1.8
300.02814	2.9
327.21780	22.6
328.22015	1.9
445.20880	11.2
446.21182	2.5
463.21759	4.0
637.32452	4.8
673.34302	4.4
683.30475	1.8
773.37469	35.4
774.37640	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	772.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68372	0.2
59.01372	0.2
59.14457	0.2
61.98832	100.0
64.94263	0.2
71.01394	0.4
71.01931	0.2
78.95918	0.4
80.85619	0.2
87.00912	0.2
98.19852	0.5
98.74957	0.2
99.92622	0.2
109.06555	0.2
116.50761	0.2
116.92866	2.0
117.92902	0.5
171.10326	0.6
172.10687	0.2
197.11891	0.6
198.12210	0.2
201.11420	0.4
207.10292	0.2
209.11920	0.5
225.11308	0.2
253.09500	0.3
268.38519	0.2
291.19800	0.3
293.21005	0.3
295.22028	0.2
296.70938	0.2
309.20731	0.3
314.56000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80960	0.1
57.03447	0.1
59.01373	0.7
60.99320	0.2
67.01896	0.3
69.03460	0.1
71.01384	0.5
71.01704	0.1
71.05220	0.2
73.02969	0.1
75.59118	0.1
80.46172	0.1
81.03461	0.2
83.05019	0.2
85.02959	5.3
86.03291	0.1
87.00888	1.5
93.03468	3.0
94.03780	0.1
99.04529	0.3
109.02315	0.1
109.02953	0.4
111.04534	0.9
113.02461	0.2
117.03488	0.2
119.05029	1.0
125.02435	0.1
127.04026	1.5
128.04364	0.1
137.02509	0.1
145.02957	0.8
155.03535	0.3
163.04033	2.0
171.03003	0.3
173.04553	1.5
173.06023	0.2
191.05626	100.0
192.05974	4.2
199.04121	0.1
241.09186	0.1
243.02975	0.4
261.03992	0.6
262.04248	0.1
337.09290	28.7
338.09622	2.9
338.13745	0.1
435.09341	0.1
614.89093	0.1
712.08905	0.1
779.03528	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
56.60285	0.8
57.03453	2.5
58.00592	2.4
59.01376	17.8
61.98821	2.2
68.99839	1.0
69.03459	2.9
69.82188	1.4
69.82599	3.5
71.01386	82.7
72.01714	0.9
72.99320	1.9
73.02956	8.0
77.37276	0.8
78.95888	1.2
80.02679	2.8
81.03491	3.9
83.01394	2.6
83.05029	8.2
84.02181	1.4
85.02966	7.2
87.00893	5.0
89.02447	8.0
91.04011	1.1
93.03458	1.3
95.01401	2.7
95.05039	4.2
96.96033	3.8
96.96985	1.8
97.02966	7.7
97.06611	4.4
99.00902	2.9
101.02456	12.8
107.05069	0.9
109.02937	0.9
109.06605	17.3
110.03761	1.6
111.00878	1.3
111.04539	1.0
111.08166	11.0
113.02461	8.4
119.03501	2.8
121.06595	1.3
123.04545	2.5
125.02444	1.9
125.06067	1.9
125.09752	7.8
127.07665	1.2
127.11315	4.1
135.08160	3.2
137.02466	1.1
137.09720	3.2
139.07690	1.5
142.02739	1.5
143.03514	3.1
145.05020	1.8
149.09659	1.1
151.11304	2.1
153.09203	1.1
153.12837	2.6
155.03445	0.8
155.10797	3.0
161.04602	6.3
161.05786	1.0
161.09726	2.5
163.11305	19.4
165.09160	2.5
165.12874	5.9
167.10786	1.5
169.12372	7.0
171.10281	82.4
172.10614	3.6
179.05672	2.0
179.10706	2.5
181.12354	9.2
183.10304	0.9
183.13913	2.2
185.11848	7.5
187.09804	0.9
189.09186	3.4
191.10818	1.3
191.14452	1.5
193.12323	2.1
195.10168	0.9
197.11841	56.3
198.12169	3.2
199.09729	2.2
199.13400	5.7
201.11325	36.3
202.11644	1.7
207.10278	49.6
208.10587	3.4
209.11835	100.0
210.12152	6.1
211.13431	22.5
212.13753	1.3
213.11331	1.0
215.12874	4.0
221.11847	1.0
223.13254	1.5
225.11324	69.8
226.11668	3.6
227.12877	16.5
235.08215	11.6
243.12383	3.8
245.19037	2.6
247.20619	2.8
253.09280	36.9
254.09738	2.2
263.20117	4.5
265.18079	2.0
273.18616	1.6
289.18140	9.5
291.19641	31.0
292.20023	2.9
293.21161	2.7
295.10260	3.1
307.19147	10.6
308.19357	0.9
309.20709	90.4
310.21115	8.2
325.20203	0.9
327.21619	1.1
341.23331	4.5
379.00018	0.8
407.19110	1.7
433.21225	0.9
443.19070	2.9
461.20227	13.8
462.20511	1.6
479.21579	1.6
493.31912	1.7
513.87384	0.9
545.29651	1.2
753.41168	9.1
754.41357	3.0
771.41815	7.1
772.42053	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	771.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06758	0.7
57.03457	4.0
58.00598	0.9
59.01091	0.8
59.01384	16.0
66.83936	0.7
69.03458	2.7
69.53140	4.0
69.53568	2.6
71.01388	48.4
71.05025	1.5
72.99328	1.9
73.02946	6.7
79.62927	0.7
80.02671	2.0
81.03474	4.2
83.01393	3.2
83.05030	8.2
84.02161	1.5
85.02956	6.0
87.00893	5.7
89.02444	6.3
95.01405	2.0
95.05059	3.6
97.02966	10.3
97.06583	3.6
98.37067	0.7
99.00902	1.9
99.04542	1.1
101.02458	12.2
107.05072	1.1
109.02977	0.9
109.06606	10.2
110.03728	1.6
111.00871	2.1
111.08197	5.2
113.02483	5.3
119.03519	1.7
119.08664	0.9
121.06644	1.6
123.04535	1.7
123.08180	1.3
125.02448	1.5
125.06098	2.2
125.09738	8.1
127.11308	3.6
127.55144	0.7
131.03548	0.9
132.26544	0.7
135.08165	3.1
136.05383	0.8
137.06114	0.8
137.09737	3.2
139.07648	1.4
140.66219	0.7
141.12888	0.8
142.02690	1.0
143.03520	2.5
145.05122	1.7
147.08102	0.9
149.09753	1.7
151.11307	2.6
153.09314	0.9
153.12889	1.6
155.10803	2.7
157.12386	0.7
161.04601	3.9
161.09758	2.6
163.11313	17.5
164.11630	1.0
165.09193	2.2
165.12863	9.2
165.73842	0.7
167.10800	2.5
169.12392	2.4
171.10291	71.8
172.10658	3.8
179.05635	1.6
179.10808	2.0
179.14487	1.2
181.12383	7.6
183.13934	2.2
185.11841	8.5
189.09283	2.8
191.10840	2.2
191.14403	2.6
193.12436	1.5
193.16032	1.0
197.11848	24.3
198.12180	2.0
199.09811	0.9
199.13411	2.0
201.11339	30.3
202.11697	2.1
207.08295	1.6
207.10287	33.7
208.10657	2.4
209.11844	100.0
210.12186	7.7
211.13377	8.4
212.13821	0.7
215.12878	3.3
217.16032	0.8
225.11331	50.5
226.11719	4.0
227.12885	14.4
228.13329	0.7
235.08235	9.2
237.11290	1.1
243.12343	3.2
244.12631	0.9
245.19055	6.1
247.20638	3.7
253.09288	30.1
254.09875	1.5
263.20209	2.9
265.18127	1.0
273.18628	2.8
274.18698	0.8
275.82648	0.7
277.09290	1.0
289.18085	15.8
290.18411	1.2
291.19662	45.4
292.19904	4.6
293.21243	1.3
295.10468	2.1
307.19150	12.3
308.19589	1.2
309.20718	83.0
310.21088	8.1
333.20615	0.9
341.23282	1.6
407.19159	1.2
443.19037	3.4
461.20230	8.2
462.20694	1.1
479.21811	0.9
480.22217	0.8
493.31506	0.9
545.29736	2.1
565.66901	0.8
753.41138	6.4
754.41931	2.0
771.41705	3.6
772.42352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
55.15056	1.2
57.03446	4.1
58.71521	1.1
59.01378	15.6
61.98833	6.5
67.01893	1.2
68.99813	3.2
69.03455	2.4
71.01385	100.0
71.05021	1.8
71.72457	1.1
72.01721	2.9
72.99321	4.6
73.02962	5.5
75.00882	2.4
78.95920	1.7
80.02692	1.4
81.03497	1.4
83.01402	2.5
83.05052	6.1
85.02956	6.2
87.00383	2.1
87.00882	30.1
89.02456	6.5
93.03478	2.0
95.01389	1.9
95.05030	4.3
97.02964	5.4
97.06588	2.2
99.00903	4.2
101.02438	8.8
107.05065	1.7
109.02952	1.1
109.06599	12.6
110.03708	1.5
111.04534	5.6
111.08169	11.7
112.08499	1.6
113.02477	5.1
119.03477	1.8
121.10257	1.3
123.04527	2.6
123.08144	2.8
125.02534	3.0
125.06077	1.7
125.09734	8.5
125.16739	1.2
127.04098	1.4
134.73924	1.4
135.08192	2.8
137.09720	1.5
143.03479	2.0
145.05096	1.7
149.09767	1.8
151.11311	1.3
153.09225	2.1
155.10796	1.7
161.04575	2.9
161.09743	6.8
163.07709	1.4
163.11328	9.6
167.10732	2.8
169.12392	2.3
171.10283	32.2
172.10588	3.5
177.09258	3.9
177.12856	2.2
179.10800	7.9
181.12375	4.8
183.10260	1.8
185.11824	4.8
187.09740	3.7
189.09160	1.7
195.10190	1.6
195.13860	14.1
196.14365	1.5
197.11829	10.1
199.09738	3.6
199.13324	2.4
201.11313	11.5
205.08720	13.2
207.10268	25.8
208.10667	2.8
208.12598	1.1
209.11842	29.5
210.12184	13.1
211.13533	9.3
212.13715	1.5
213.11288	2.9
215.12923	2.4
223.09766	25.2
223.13257	8.8
224.10205	2.6
225.11325	24.3
226.11716	1.6
227.12885	3.6
228.13383	1.9
235.08228	4.6
241.10788	2.1
242.14577	1.5
243.12447	1.7
247.20827	2.9
253.09254	22.3
254.09779	1.4
259.15454	2.5
265.21606	1.4
275.20190	7.2
284.89328	1.1
291.19656	65.5
292.19992	19.1
293.21228	56.0
294.21515	5.0
309.20715	7.0
311.22339	7.6
325.20261	2.1
341.23148	1.8
387.76495	1.3
409.82178	1.4
450.44147	1.5
459.18423	2.2
461.20264	3.6
527.29266	1.4
528.29181	1.7
529.29303	2.0
548.75482	1.4
685.34674	2.9
735.39911	2.7
753.40948	4.6
754.41901	1.4
771.41754	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	771.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81916	0.3
57.03437	1.7
59.01381	2.7
63.02404	0.5
65.00322	1.3
65.03943	0.3
68.99815	0.3
71.01385	1.5
71.20869	0.9
75.00884	0.5
78.89337	0.3
81.03463	0.5
81.65622	0.3
83.01390	2.4
83.05040	2.9
85.02952	1.0
89.02460	0.6
90.51608	0.4
93.03451	1.1
95.01392	0.3
101.02447	0.6
107.01409	2.1
107.05043	0.8
109.02973	2.1
109.06584	0.7
111.04519	0.5
111.08172	32.7
112.08523	0.8
113.02493	1.5
119.05102	0.4
125.02458	2.7
129.09219	1.6
131.05046	2.7
133.03020	1.5
135.00871	0.4
135.04562	2.4
137.02454	0.4
139.44687	0.3
145.06618	0.6
147.04541	0.8
149.02429	0.5
149.06091	1.4
151.00383	5.9
151.04036	3.0
153.01981	0.5
153.09229	1.2
155.03882	0.4
155.05025	2.3
157.02962	1.7
161.02464	1.4
161.04585	0.3
165.28627	0.3
167.35657	0.3
171.04527	0.6
173.06116	3.4
173.08202	100.0
174.03258	0.9
174.08540	4.6
175.04015	10.2
176.04370	0.6
177.01955	3.3
179.03493	3.3
187.04002	0.6
187.09807	0.9
189.02020	0.4
189.05560	0.9
191.03619	2.0
191.05449	1.9
193.05099	2.1
197.08203	2.9
198.03139	0.5
198.08604	0.4
199.04008	15.6
200.04308	0.9
201.01973	1.5
201.05727	0.4
215.09325	0.8
217.05043	5.5
218.05447	0.6
219.02934	0.7
226.63205	0.3
231.02972	0.7
233.04526	0.8
243.02971	54.6
244.03329	4.3
245.04573	0.9
246.97325	0.4
259.02527	1.3
261.04019	81.0
262.04370	6.7
267.07236	0.4
271.06201	0.4
273.04611	0.3
285.04141	0.5
287.05676	0.4
289.07114	0.9
303.05124	0.8
332.72641	0.3
335.07822	2.1
335.13470	19.5
336.13806	1.9
363.12787	0.5
363.16968	0.3
375.07245	5.9
376.07687	0.9
393.08231	1.5
421.07867	0.4
435.09311	59.1
436.09641	7.8
440.45706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	39.4
58.03777	0.7
59.01383	6.3
61.75205	0.3
61.98827	1.5
63.02398	4.0
63.86254	0.3
65.00327	7.8
69.55532	2.7
69.55939	0.7
69.56107	0.3
71.01379	2.4
72.12534	0.3
73.02953	0.7
79.95764	0.3
80.96533	0.9
81.03467	0.7
82.64951	0.4
83.01397	6.1
85.02948	0.7
93.03468	3.1
94.98048	0.3
96.96033	0.6
98.19940	0.8
99.00927	0.5
99.04529	33.7
100.04870	1.0
101.02451	9.1
101.20161	0.3
107.01402	15.5
109.02969	1.4
113.02483	0.9
121.02975	12.7
122.03326	0.4
123.00983	0.3
123.04575	0.4
125.02464	17.8
126.02779	0.4
137.02512	0.4
139.04037	1.1
143.03543	1.4
144.06036	0.3
147.04530	0.7
148.05330	51.2
149.02451	1.4
149.05658	2.5
151.00397	50.9
152.00685	1.9
160.39323	0.4
161.02467	0.9
161.04567	2.2
163.00426	0.8
163.07674	65.2
164.01161	0.9
164.07965	3.7
169.01422	2.6
178.99879	22.2
180.00194	0.7
193.01401	1.3
201.05611	0.6
203.03773	0.4
203.05638	1.3
205.05038	0.4
211.04086	0.5
217.36342	0.3
225.00656	0.4
227.03540	0.7
228.78020	0.3
229.05081	0.8
243.08755	1.1
245.04437	0.6
255.02895	0.5
257.04388	0.8
273.04044	2.8
274.04663	0.4
301.03537	100.0
302.03870	9.5
325.12973	1.1
330.10025	0.4
367.14081	4.0
407.17004	0.9
469.17148	17.3
470.17484	3.0
566.25330	0.4
681.27582	0.8
771.31848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
58.00587	0.4
59.01376	5.3
61.98829	1.4
69.03456	0.4
71.01389	11.3
71.71948	0.4
72.99321	0.4
73.02969	1.1
78.95923	0.4
80.02685	1.6
81.03472	1.0
81.57246	0.3
83.01401	0.8
83.05037	4.5
84.02187	0.5
84.95190	0.3
85.02953	1.1
87.00909	1.0
89.02445	2.2
90.28683	0.3
95.05045	1.2
97.02934	0.8
97.06595	1.0
99.00912	0.6
101.02459	3.6
107.05048	0.6
109.06606	1.9
111.00871	0.5
111.04494	0.5
111.08169	5.2
113.02460	2.1
114.98592	0.3
116.92879	0.8
119.03519	0.5
121.06612	0.4
122.03696	0.4
123.08196	0.8
125.02491	0.6
125.06043	0.5
125.09736	1.1
135.08144	0.8
137.09740	0.9
139.11353	0.5
141.09181	0.3
143.03522	0.4
151.07689	0.9
151.11342	0.5
153.09218	0.4
153.12843	0.3
155.10825	0.5
161.04582	1.3
161.09808	0.3
163.11320	4.1
164.11586	0.4
165.12843	2.5
167.10762	0.9
169.12401	0.4
171.10275	10.1
172.10617	0.6
177.12819	1.3
179.05760	0.4
179.10730	1.7
181.12312	1.7
185.11888	0.5
189.50534	0.3
191.10789	1.1
195.13948	2.2
197.11790	2.1
201.11308	1.9
205.08606	0.4
207.00412	0.3
207.10297	2.7
209.11839	100.0
210.12186	5.6
211.13344	1.0
213.11287	0.6
223.09799	1.2
223.13345	0.4
224.10234	0.3
225.11327	3.5
227.10664	0.7
227.12894	15.1
228.13251	0.7
235.08228	3.2
241.14456	1.4
247.20676	1.4
253.09286	10.3
254.09456	0.6
273.18588	0.9
287.16425	0.8
289.18036	0.5
291.19647	59.7
292.19971	6.1
293.21036	0.5
305.17453	1.6
307.19116	1.1
308.19379	0.4
309.20676	1.8
323.18793	0.7
323.22226	2.7
341.23230	0.9
345.45673	0.4
445.20700	2.3
461.20367	0.6
463.21527	0.4
509.27710	0.9
527.28595	5.3
528.28851	0.7
628.10718	0.3
719.40234	1.9
720.40576	0.5
751.39752	0.5
769.41052	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	769.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03450	5.7
58.00592	1.4
59.01381	20.5
61.98835	4.8
67.01878	2.4
68.99830	7.5
69.03450	4.4
71.01385	100.0
71.05039	1.3
71.71350	1.7
72.01740	1.3
72.99289	4.4
73.02943	5.1
80.02681	2.5
81.03467	4.2
83.01387	4.2
83.05034	9.9
85.02951	5.6
87.00893	4.8
89.02453	8.4
93.03460	1.2
95.01392	3.6
95.05046	4.4
97.02966	14.7
97.06580	6.5
99.00874	2.5
101.02464	12.6
107.05036	3.3
109.02959	2.3
109.06606	8.7
110.03737	5.3
111.00875	1.8
111.04531	20.2
111.08190	8.0
112.04855	1.0
113.02489	10.4
119.03507	1.7
119.08633	1.0
121.06606	1.4
122.03739	1.7
123.04555	5.1
123.08135	5.6
125.02439	3.0
125.06095	3.3
125.09753	17.0
127.11327	2.3
131.03584	1.2
133.10248	0.9
135.04597	0.9
135.08186	6.4
137.09720	6.2
139.07678	2.0
139.11328	1.1
143.03542	1.7
145.05081	2.1
149.09727	2.2
151.07631	1.5
151.11305	6.5
153.09233	7.7
153.12907	1.5
155.10796	10.0
156.55777	1.0
159.08142	1.3
161.04573	5.2
161.09740	11.9
163.07639	1.6
163.11310	12.9
165.09229	2.4
165.12830	7.9
167.10757	2.1
169.12341	3.6
171.10286	82.7
172.10641	3.3
177.09229	6.5
179.05565	2.1
179.10799	18.4
181.12363	7.1
183.10321	7.3
185.11861	10.1
187.09773	2.5
191.05594	1.3
191.14432	3.1
193.12273	1.9
193.16100	1.3
195.10249	2.5
197.11838	19.0
198.12199	1.3
199.09792	5.1
201.11349	10.6
205.08678	23.5
206.08986	1.9
207.10298	23.4
208.10585	1.6
209.04128	1.2
209.11835	82.8
210.12187	4.7
211.13397	6.4
213.11328	15.5
215.12956	2.6
221.11861	2.3
223.09760	66.1
223.13199	2.0
224.10078	5.1
225.11311	22.8
226.11653	1.2
227.12868	13.5
235.08205	10.3
237.11357	1.1
239.12875	1.7
241.10823	6.1
243.12381	1.8
243.17598	1.4
245.19060	6.2
247.20619	2.8
253.09258	31.9
254.09627	1.6
261.18457	1.2
263.20142	3.1
271.16867	1.1
273.18646	1.8
275.19653	1.1
287.16446	3.4
289.18109	20.4
290.18405	2.2
291.19653	40.1
292.19907	4.2
293.21030	1.3
299.15152	1.0
305.17606	7.5
307.19153	17.6
308.19473	1.4
309.20706	76.4
310.20993	7.8
323.18622	8.7
406.70563	1.2
407.19119	3.7
419.18954	3.5
441.17667	5.7
445.21356	1.1
459.18756	11.8
460.19141	1.7
461.20132	3.1
477.19861	2.2
527.28326	2.1
541.26349	1.7
545.30054	2.3
725.37640	1.9
733.38037	2.2
751.39453	20.8
752.39587	4.2
761.66028	1.1
769.40399	33.5
770.40790	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	768.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80859	0.0
59.01383	0.2
61.98832	100.0
62.98539	0.2
62.99276	0.1
71.01404	0.2
72.99320	0.1
78.95951	0.1
79.95724	0.1
80.96501	0.2
88.98831	0.1
89.02452	0.1
94.98104	0.3
96.96001	0.1
97.03000	0.1
101.02528	0.1
109.03022	0.1
111.08197	0.1
113.02477	0.1
116.92894	0.0
125.02468	0.4
137.02513	0.1
148.99158	0.1
150.01230	0.0
151.04118	0.1
153.91681	0.0
156.29051	0.0
161.02475	0.1
165.01933	0.1
197.11873	0.3
198.12299	0.2
209.11855	0.3
210.12286	0.2
211.13329	0.1
218.72556	0.0
225.00816	0.1
289.07303	0.1
309.20682	0.4
310.21002	0.4
350.33856	0.1
397.13605	0.1
398.14011	0.1
415.14868	0.2
416.14963	0.1
498.47037	0.1
768.32745	0.1
769.33398	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91851	0.3
57.03449	0.4
59.01387	1.6
59.47432	0.3
61.98830	75.3
63.95939	0.3
63.96236	1.8
69.03448	0.4
69.51131	2.8
71.01389	7.4
72.99319	0.6
73.02943	1.7
74.63212	0.4
78.95908	0.5
78.98598	6.2
79.95265	0.5
79.95741	13.1
80.96523	74.9
81.03459	1.1
81.96461	0.5
83.01402	0.9
83.05036	0.8
85.02951	2.7
87.00881	2.7
94.98095	15.8
95.01408	0.5
96.96024	1.4
96.97095	0.4
97.02959	1.9
99.00898	0.7
99.04520	0.4
101.02468	2.6
106.32346	0.3
106.98102	3.5
109.02925	0.4
111.32815	0.4
113.02414	0.4
122.97585	3.9
125.02473	5.4
127.04037	1.1
128.09535	0.3
134.97610	5.6
136.99168	2.3
137.02509	0.7
143.50882	0.4
146.56381	0.3
146.97598	0.6
148.99158	7.5
151.00398	0.3
151.04007	0.4
152.98669	6.7
161.02420	0.3
164.01202	0.3
164.98643	13.4
165.99001	0.4
167.00227	0.8
188.98558	0.4
191.05632	2.0
206.99669	3.6
207.10384	0.4
209.11829	5.1
210.12114	1.2
225.00746	28.4
226.01050	1.0
257.25168	0.4
277.14383	0.4
283.04974	0.6
289.07150	0.5
373.45914	0.4
445.95740	0.3
509.16718	3.1
541.19562	1.9
695.37006	0.6
708.67548	0.4
737.31000	0.5
751.29755	0.6
769.33502	100.0
770.33838	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83944	0.1
59.01377	0.1
61.98833	100.0
62.98544	0.2
62.99277	0.1
69.52139	0.6
71.01390	0.7
78.95929	0.4
79.95774	0.1
80.96514	0.2
89.02477	0.1
94.98136	0.1
95.59715	0.1
96.96023	2.1
96.96964	0.6
109.06626	0.1
111.51831	0.1
125.02518	0.2
163.11293	0.2
165.02031	0.1
171.10309	0.2
191.05586	0.1
197.11838	0.2
198.12253	0.1
205.08754	0.1
207.10239	0.5
209.11853	0.6
211.13359	0.1
223.09770	0.1
225.11403	0.2
227.12849	0.1
253.09390	0.1
289.07184	0.1
411.31357	0.1
768.44153	0.1
769.33832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98534	0.2
70.32565	0.3
79.95748	0.1
98.19983	0.1
194.18979	0.1
209.11961	0.2
210.12314	0.1
350.75073	0.1
443.60638	0.1
701.07648	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	767.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.00599	0.6
59.01376	5.0
61.98831	75.2
69.03452	1.8
71.01385	5.9
71.05004	0.7
71.71961	0.6
72.99316	0.9
73.02957	1.7
76.52720	0.6
77.29784	0.5
78.91892	0.9
78.95872	0.8
79.95745	0.7
80.02685	0.8
80.96517	1.3
81.03463	2.2
83.01405	0.6
83.05028	5.3
84.02161	0.8
85.02969	2.4
87.00876	1.3
88.98803	1.7
89.02444	3.5
92.51933	0.6
95.01385	0.7
95.05037	1.2
96.96038	1.1
97.02959	2.7
97.06649	0.5
101.02453	4.5
109.06626	1.0
111.04545	0.7
111.37600	0.5
113.02470	1.6
119.03490	0.8
123.04528	0.6
123.08174	1.1
125.02464	2.0
125.09734	0.9
135.08136	1.3
136.05305	0.6
137.09761	0.7
142.02776	0.6
150.75421	0.5
151.04002	0.9
153.09294	0.6
153.12865	1.0
161.04558	2.0
161.09703	1.0
163.11293	6.2
165.12811	2.6
169.12355	3.6
171.10280	8.5
179.05624	0.9
179.10812	2.0
181.12383	1.0
185.11848	1.2
191.05449	0.7
191.10805	0.8
197.11842	72.0
198.12177	4.7
201.11319	2.2
202.34702	0.5
207.08308	0.9
207.10277	15.1
208.10631	1.2
209.11839	100.0
210.12161	6.6
211.13506	1.1
225.11287	7.0
226.11844	0.7
227.12901	13.9
228.13289	1.2
235.08272	3.3
235.13426	0.8
239.12874	13.2
240.13261	1.3
253.09244	10.4
254.09842	0.9
271.15482	2.5
271.32895	0.6
273.17050	16.6
274.17471	1.7
289.07217	0.8
415.19919	0.7
433.20837	7.8
434.21207	0.9
445.20807	3.8
607.31708	1.9
625.32556	3.3
673.35101	1.2
767.34442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
60.99313	0.1
61.98832	100.0
62.98541	0.2
70.63598	0.1
70.63982	0.1
71.01402	0.2
80.96559	0.1
88.36775	0.1
88.98827	0.9
89.02459	0.1
98.25694	0.1
100.79641	0.1
101.02448	0.1
108.69877	0.1
109.06590	0.1
112.04892	0.1
121.72762	0.1
123.04578	0.1
125.02496	0.1
148.91943	0.1
149.99158	0.1
153.90190	0.1
197.11816	0.5
207.10165	0.1
209.11847	0.9
210.12225	0.1
217.99959	0.1
225.11348	0.1
227.12985	0.2
277.02521	0.1
289.71332	0.1
405.65723	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	766.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.9
71.01403	0.9
81.03451	1.1
83.01380	3.2
83.21407	0.9
85.02966	1.1
93.03422	1.4
93.95999	0.7
97.02950	2.7
100.21754	0.8
107.05008	1.3
109.02968	13.0
110.02515	0.8
119.05029	2.5
120.07092	0.8
121.02972	2.7
123.00851	0.8
123.04538	9.6
125.02463	77.2
126.02791	1.8
133.02959	3.5
135.04506	2.2
137.02455	16.8
139.04007	2.0
140.85133	0.8
144.04568	100.0
145.02942	1.4
145.04929	4.6
147.04494	1.6
149.02467	4.3
150.03128	0.8
151.04034	8.6
152.19305	0.8
159.04518	2.0
161.02460	22.5
161.06049	3.0
162.03079	1.9
163.00377	1.7
163.04047	6.2
164.01205	4.0
165.01962	4.3
167.03505	1.2
173.06139	1.0
175.04031	9.4
175.07497	0.8
177.01920	3.8
177.05557	1.1
179.03488	3.1
180.96210	0.8
187.03979	5.2
188.03500	17.1
189.03847	1.2
189.05528	0.9
191.05638	5.3
192.06032	1.0
193.05087	0.8
201.05643	1.5
203.03479	1.3
203.07124	8.5
205.01482	1.8
205.05057	7.1
211.04097	1.1
212.04758	0.9
215.03523	1.5
217.05045	1.2
221.08073	1.2
227.03392	1.4
227.07089	1.1
228.04155	0.9
229.04974	3.3
243.02972	2.9
245.04643	5.7
245.08139	13.5
246.04787	0.8
247.06215	1.3
255.02907	6.0
256.03702	4.2
257.04346	1.8
257.17206	0.9
269.04630	1.5
271.06296	0.9
273.03983	5.0
281.04431	3.7
283.02557	1.8
284.03311	0.8
285.03989	3.1
287.05612	11.0
288.06006	1.0
289.07181	48.7
290.07468	4.2
297.04037	1.8
297.07434	1.2
299.05469	5.4
324.05960	0.8
339.08676	4.7
370.48538	0.9
381.09802	1.2
407.07706	53.7
408.08072	7.2
425.08783	59.0
426.09091	7.9
451.10330	15.5
452.10629	2.3
559.13074	1.5
577.13538	33.6
578.14020	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	765.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.3
59.01373	0.6
63.96230	0.9
64.97019	0.2
69.03447	0.6
71.01385	6.9
72.99295	0.3
73.02954	1.4
78.98597	5.5
79.95260	0.4
79.95743	11.3
80.96524	69.6
81.03467	1.0
82.96098	0.6
83.01366	0.3
87.00884	2.2
94.98097	14.6
95.01385	0.5
96.96040	1.0
97.02968	1.9
99.00890	0.7
99.04545	0.4
101.02452	2.1
104.53159	0.2
106.98095	3.1
113.02490	0.3
122.97599	3.3
125.02473	3.0
125.17089	0.2
127.03997	0.8
134.97598	5.1
136.99162	1.6
143.03467	0.3
146.97530	0.4
148.99161	6.1
152.97440	0.4
152.98651	6.3
161.04486	0.3
164.98648	12.8
167.00227	0.4
203.98959	0.2
206.99689	3.0
209.11812	1.2
225.00746	23.7
225.98802	0.2
226.00986	1.0
229.46513	0.2
255.23244	1.6
283.04984	0.7
285.91318	0.2
307.05847	0.3
353.08347	0.5
442.18652	0.2
509.16971	3.5
510.17261	0.3
537.27313	1.3
538.26788	0.3
553.10901	0.2
765.41321	100.0
766.41687	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	765.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
60.99308	16.2
61.98833	1.3
69.81037	0.3
69.81439	0.9
71.01377	0.3
72.99318	0.3
79.16965	0.2
85.02949	0.1
87.00892	1.6
88.00416	2.6
88.01218	0.3
88.98816	100.0
89.02450	14.2
89.99147	1.2
90.02780	0.2
98.20665	0.2
101.02464	0.2
125.02463	0.2
152.23170	0.2
195.04733	0.2
206.34785	0.2
223.13359	0.4
235.08142	0.2
255.81639	0.1
277.21808	0.7
397.13501	1.0
398.13861	0.2
405.24384	0.2
415.14386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58573	0.8
59.01390	1.9
61.98839	6.9
67.05492	1.1
68.99795	1.0
71.01365	1.5
71.72218	1.2
74.89933	0.7
75.73155	0.8
79.05554	1.1
79.19450	0.8
83.05018	0.9
85.02963	9.9
87.00897	2.8
93.03468	5.6
109.02993	1.9
111.04539	20.8
121.02961	1.1
123.08193	3.1
124.01688	1.3
126.76368	0.8
127.04044	2.3
133.02977	6.3
134.03741	3.9
135.04553	20.8
136.05006	1.2
137.02486	5.0
137.06105	2.3
139.03995	1.2
146.03734	2.6
147.04562	4.3
149.06053	0.9
151.00388	1.0
151.04010	2.7
155.03525	2.7
161.02498	1.5
167.07147	1.4
172.27740	0.8
173.02438	1.3
173.04549	7.7
174.03259	2.8
175.04056	2.2
177.01970	4.0
178.02776	5.7
179.03549	4.7
181.05066	13.0
185.06108	4.3
191.05632	100.0
192.05959	3.5
195.06660	2.1
199.04068	1.5
201.05574	1.0
203.03484	1.7
203.07121	2.3
205.08810	0.9
205.15979	3.8
206.79724	0.8
207.06612	2.3
208.07405	2.4
211.06100	2.5
212.04797	2.7
213.05603	1.0
219.06630	3.5
221.08284	1.2
224.04817	1.0
225.05661	2.3
226.06403	1.9
227.03503	1.3
228.04295	2.7
229.04997	4.1
231.06659	8.1
231.10327	2.2
231.13892	2.4
233.08174	3.2
241.08723	1.8
246.12695	4.1
253.04922	1.4
253.12352	2.1
255.02980	1.4
256.03751	3.7
257.03931	0.9
257.11771	1.1
259.09714	2.0
270.05310	1.1
271.06085	1.4
271.09784	4.2
273.11276	2.0
273.14713	1.2
274.12091	12.3
275.12900	16.1
279.10239	1.3
281.08228	1.4
282.08942	1.4
283.02502	2.0
284.03229	2.0
295.09799	12.7
296.10248	1.7
297.07947	1.8
297.11292	5.7
298.11850	1.1
299.09357	1.0
299.20313	1.3
306.11151	1.1
308.09366	4.5
311.16583	2.1
313.10825	2.0
314.08020	2.2
323.09207	9.0
324.02808	2.9
324.09769	1.9
325.07312	2.0
325.10913	1.5
326.08017	8.6
339.08838	3.8
340.16794	1.8
341.10306	23.0
342.10736	3.0
343.12265	2.3
343.19156	54.2
344.19470	5.6
351.07303	2.1
352.08054	4.3
355.10342	3.7
355.15460	3.5
367.08185	8.9
367.15338	1.1
380.19556	1.2
381.20590	2.2
385.09216	1.4
392.16342	25.9
393.09946	1.2
393.16531	3.4
395.15005	13.1
396.15256	1.7
408.15717	1.3
409.23819	13.3
410.17264	3.4
413.26981	22.4
414.27271	3.7
418.14206	2.6
419.14774	2.5
436.15250	13.2
437.15628	1.4
454.16266	2.1
461.23196	1.7
547.30530	5.6
559.14624	3.8
573.28540	18.6
574.28888	4.5
591.29425	2.7
628.21759	60.9
629.22083	12.4
765.35016	12.1
766.35730	3.9
793.10193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.8
61.98820	0.8
67.01883	0.6
69.03432	0.3
69.71413	1.8
69.71828	0.4
71.01379	1.0
73.02972	0.4
73.18946	0.3
81.03455	0.5
83.05022	0.5
85.02957	13.3
87.00873	2.5
93.03465	5.4
99.04511	0.6
107.24639	0.3
109.02955	1.4
111.04530	6.9
123.08218	0.3
125.02479	0.4
127.04022	2.8
134.03864	0.4
135.04533	5.2
137.02438	0.5
151.00400	0.5
151.04030	0.9
161.02412	0.8
171.03018	1.0
173.02419	0.3
173.04591	1.7
174.03217	0.4
175.03987	0.4
179.03436	0.7
181.05104	0.7
183.04532	0.4
185.06012	0.4
187.03947	0.4
191.05620	100.0
192.05988	4.3
194.05768	0.5
195.06673	0.5
198.05209	0.3
199.04189	0.8
201.01880	0.4
203.07198	0.4
205.15927	0.9
207.06636	0.4
208.07394	0.6
211.04044	0.9
212.04808	1.2
213.05527	0.5
219.06599	0.8
224.04863	0.8
225.05551	0.9
227.03506	1.3
228.04280	0.9
229.05070	0.5
231.06667	2.3
231.10229	0.5
231.13905	0.7
233.08107	0.9
246.12529	1.0
252.04312	0.5
253.04976	0.8
254.05763	0.4
255.02950	0.8
256.03735	1.3
259.09680	0.5
263.06970	0.7
263.12921	0.7
264.07956	0.4
265.08829	0.5
266.05927	0.3
267.10196	0.5
271.09595	0.6
273.11276	0.8
273.14554	0.3
274.12079	2.6
275.12805	4.0
279.06757	0.4
279.10245	0.9
280.03925	0.4
280.07391	0.6
281.08200	1.2
283.02490	0.9
284.03232	0.8
285.07379	0.4
295.09732	12.0
296.03229	1.0
296.10248	1.7
297.04144	0.4
297.11108	0.4
305.08414	0.4
307.06149	0.6
308.06921	1.2
309.07571	0.9
311.05685	0.4
311.09067	0.5
311.16373	0.4
321.07791	0.7
323.09225	9.6
324.02737	1.9
324.09698	1.4
325.07135	1.0
326.07959	2.5
327.08661	0.4
339.08688	3.8
340.09109	0.5
341.10211	0.5
343.12207	0.6
343.19125	13.6
344.19318	1.4
349.07242	0.5
351.07153	0.4
352.08008	0.6
355.10443	0.5
367.08221	14.4
368.08517	1.7
376.13049	0.4
391.15546	0.9
392.16281	22.0
393.09811	0.8
393.16577	3.3
395.15015	5.1
396.15308	0.6
409.23865	0.6
413.26971	8.6
414.27298	1.3
417.24643	0.5
418.14368	0.7
421.12888	0.6
436.15228	6.4
437.15576	1.0
489.19241	0.7
529.20325	0.4
559.14758	0.8
573.19482	0.5
573.28595	12.6
574.28937	3.3
628.21722	32.5
629.22125	6.6
645.01105	0.3
765.34741	2.6
766.35626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.01382	3.3
61.98833	0.5
63.02390	1.2
65.00327	2.8
71.01391	3.2
71.72578	0.5
73.02954	0.7
83.01405	2.1
85.02957	0.7
89.02460	2.0
93.03492	0.4
95.01439	0.4
101.02465	2.8
107.01411	4.5
109.02970	0.8
111.08167	0.5
113.02464	1.7
118.88593	0.3
119.03524	0.5
121.02979	3.1
125.02475	0.7
137.02412	0.4
149.02515	0.6
151.00392	13.3
152.00755	0.5
161.02417	0.4
161.04573	1.5
163.00441	0.4
165.01871	0.4
165.12859	7.9
166.13245	0.5
169.01436	1.0
178.99884	5.2
183.13914	80.3
184.14249	4.9
191.05571	0.4
191.66594	0.3
193.01408	0.4
199.03903	0.4
203.03391	0.3
209.11798	0.6
227.12901	7.4
228.13191	0.4
253.09268	3.4
255.02843	0.6
271.02420	2.5
272.02896	1.1
273.03384	1.0
289.07263	0.5
299.01990	3.6
300.02429	3.6
301.03534	17.6
302.03796	1.4
463.21823	100.0
464.22141	13.2
666.81696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.1
60.99316	0.5
61.98835	100.0
62.98541	0.2
69.03484	0.1
70.00368	0.1
70.41114	0.3
71.01401	0.2
72.99342	0.4
75.00876	0.2
80.96523	0.2
88.98819	3.4
89.02455	0.1
89.99182	0.2
90.99290	0.1
109.06628	0.1
113.02462	0.1
116.92934	0.1
146.19919	0.1
154.32732	0.1
157.67841	0.1
163.11322	0.1
175.69003	0.1
179.52527	0.1
185.11836	0.1
191.05714	0.1
195.14082	0.1
197.11890	0.3
207.10303	0.2
209.11882	0.7
210.12190	0.2
211.13432	0.3
223.13396	0.2
224.13837	0.2
225.11369	0.2
225.13977	0.1
227.12993	0.1
253.09283	0.1
604.74847	0.1
651.37134	0.1
733.38959	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	765.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03446	1.0
59.01380	5.7
65.00343	0.5
67.01849	0.4
69.03460	1.1
69.65723	1.6
69.66148	1.5
71.01385	2.7
71.05024	5.4
72.63808	0.3
72.99311	6.7
75.00874	9.2
83.01395	1.2
83.05022	1.8
85.02957	0.8
87.00871	0.5
87.04517	0.5
89.02465	1.6
93.03468	0.9
95.05035	17.3
96.05395	0.6
97.02961	19.8
98.03307	0.4
98.20668	0.3
101.02475	1.4
102.95807	0.4
103.00408	0.6
107.01440	0.8
107.05076	1.2
108.02258	0.5
109.02966	17.3
109.06591	0.6
110.03304	0.8
113.02457	0.7
115.04047	2.8
119.03548	0.5
120.05867	0.5
121.02957	0.9
125.02507	0.9
133.06584	1.1
135.04462	0.4
137.02420	2.1
139.04030	58.0
140.04346	2.4
145.03021	0.4
149.06100	0.5
151.00366	2.4
153.01953	40.5
154.02271	1.6
157.05023	0.6
161.02478	0.6
161.09702	1.6
165.01945	22.0
166.02229	0.7
175.11339	0.8
178.98262	0.4
178.99757	0.8
183.02992	100.0
184.03345	4.6
185.09641	0.6
189.09270	1.1
191.05536	0.4
207.10271	0.6
217.23474	0.4
221.11774	1.4
239.12874	13.7
240.13217	0.9
243.03099	0.4
257.04593	0.4
261.04044	1.1
265.10788	7.1
266.11154	0.9
283.11868	19.3
284.12213	1.5
297.04071	0.6
319.04584	28.0
320.04846	2.9
341.02994	1.3
344.47821	0.4
390.83591	0.4
407.07059	0.4
435.09265	0.6
445.17136	37.9
446.17514	4.9
545.10956	0.8
589.10046	2.7
613.07764	0.4
765.13214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
59.87548	0.3
63.96241	1.9
69.03455	0.7
71.01388	7.4
71.73057	0.6
72.99308	0.5
73.02953	1.7
78.98597	6.2
79.95741	11.9
80.96524	72.1
81.03472	0.9
83.01395	0.3
83.81696	0.3
85.02956	2.8
87.00880	3.1
87.91631	0.3
94.98099	16.8
95.01384	0.4
96.96030	1.4
97.02963	2.0
99.00903	0.4
101.02455	3.0
106.98102	2.8
113.02460	0.5
119.62340	0.3
122.97594	4.1
125.02472	3.7
127.04021	1.2
134.97612	5.7
136.99178	1.6
143.03444	0.4
146.97586	0.4
148.99159	6.2
152.98645	6.4
161.04517	0.3
164.98645	12.8
167.00243	0.8
179.00122	0.4
188.98601	0.7
206.99684	3.2
207.10263	1.2
225.00737	22.6
225.11292	1.2
226.01035	0.9
238.78409	0.3
255.23309	1.7
270.07181	0.3
283.04950	0.4
365.44687	0.4
507.15387	3.1
508.15448	0.5
537.27289	1.8
555.28168	0.4
733.81885	0.3
763.39722	100.0
764.40094	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00618	0.6
57.01859	0.6
57.03451	1.5
59.01383	11.8
60.99294	2.8
61.98830	11.9
69.53252	5.8
71.01389	8.4
71.05048	0.7
72.99313	2.1
73.02966	1.7
75.00886	1.0
78.12046	0.7
78.95934	0.9
80.02708	1.5
81.03478	3.1
83.01378	1.7
83.05037	6.4
84.02174	1.5
85.02956	2.1
87.00887	4.0
88.00400	0.8
88.98817	16.9
89.02447	5.5
93.03472	1.6
95.01390	0.7
95.05006	1.5
97.02951	4.8
99.00871	1.6
101.02466	6.8
101.08672	0.6
109.02988	1.2
109.05868	1.3
109.06603	20.7
110.03738	1.1
110.06938	0.9
113.02477	2.1
121.06638	2.3
123.04520	0.9
123.08186	0.9
125.02465	2.2
125.06087	1.3
125.09734	2.5
135.08165	2.8
136.05339	1.1
137.09726	0.7
142.02702	1.5
145.05043	0.8
147.11780	0.6
149.02467	0.7
151.04001	1.2
161.02512	1.0
161.04552	1.9
161.09750	1.3
163.11310	17.6
165.01997	0.9
165.12872	2.7
170.90628	0.7
171.10309	6.0
173.50853	0.6
179.05666	0.6
181.12366	5.0
185.11819	2.0
187.09703	0.6
189.09213	1.8
191.05640	1.3
191.10840	0.9
197.11848	1.4
201.11401	1.6
207.10268	53.8
208.10660	3.7
209.11836	100.0
210.12155	7.9
211.13432	6.3
223.13434	0.7
225.11320	26.9
226.11649	2.1
227.12859	14.6
228.13153	1.1
235.08202	3.4
247.13380	1.6
249.11253	1.2
253.09276	10.2
259.15607	1.0
263.12939	1.1
289.07129	1.3
298.81714	0.7
299.14886	1.0
373.23938	1.5
397.13626	1.9
399.21652	4.9
417.22842	3.9
418.88269	0.8
435.23840	1.1
443.19308	4.4
445.20877	2.5
461.20319	8.0
485.20364	1.1
536.79712	0.7
628.30554	0.7
635.30872	20.2
636.30859	4.7
653.31909	20.4
654.32043	4.0
654.41986	0.7
671.32910	28.3
672.33490	4.8
703.34949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
60.99310	15.3
61.98827	0.2
65.24430	0.1
70.00455	0.6
70.96419	0.1
71.01398	0.2
83.05020	0.2
87.00887	1.0
88.00413	1.3
88.01220	0.2
88.98817	100.0
89.02445	3.9
89.91542	0.1
89.99151	1.1
98.20554	0.1
113.02422	0.1
125.02457	0.1
133.00253	0.1
171.10265	0.3
209.09877	0.2
209.11847	3.7
210.12119	0.3
211.13336	0.2
227.12910	0.7
235.08026	0.1
249.64569	0.1
253.09277	0.3
271.02203	0.1
299.01962	0.1
301.35782	0.1
305.20355	0.1
388.71243	0.1
397.13510	0.1
461.06760	0.5
764.21851	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	763.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42327	0.2
59.01369	0.8
71.01380	1.9
71.70679	0.3
73.02940	0.7
78.15622	0.2
81.03445	0.5
83.01394	0.4
85.02960	1.2
91.01920	0.3
91.05534	0.6
93.03468	0.5
101.02463	1.0
104.75752	0.3
107.08688	4.4
109.02922	0.3
109.06603	5.1
113.02462	0.9
119.05050	0.6
121.52885	0.2
125.02460	0.8
133.06613	0.5
134.03770	1.3
135.04344	0.4
151.07666	100.0
152.08000	5.4
158.87732	0.3
163.04012	0.9
167.03583	0.6
173.04544	0.4
175.03999	0.2
177.04063	0.5
177.05586	8.4
178.05920	0.5
191.05656	2.4
192.05864	0.5
193.05069	1.0
193.08742	0.3
194.05440	0.7
195.06670	4.6
217.05272	0.3
243.02892	0.4
261.03973	0.6
357.11914	91.6
358.12256	8.8
361.07025	0.4
367.10406	0.5
368.10733	0.5
405.09317	0.7
450.21933	0.3
763.18573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
63.29908	0.2
71.01373	0.6
71.20509	0.4
71.79649	0.2
81.03465	0.5
84.63078	0.2
85.02988	0.3
87.00864	0.2
91.01882	0.4
93.67850	0.2
95.01376	0.5
99.68761	0.2
101.02470	0.3
104.74548	0.2
107.01397	0.2
108.02229	0.4
109.02973	0.7
113.02447	0.2
121.10252	1.8
122.03754	0.9
123.04524	0.3
123.08195	2.8
125.02467	1.5
141.17448	0.2
143.54135	0.3
147.08205	0.4
151.00409	0.9
159.04488	0.3
161.02443	0.8
162.28281	0.2
163.00366	0.3
165.09222	41.8
166.09552	1.8
169.04257	0.3
174.03284	0.3
187.04001	0.5
190.99977	0.4
191.03520	1.6
191.05472	0.5
191.07152	4.8
199.04016	0.3
203.03455	0.4
205.01355	0.3
207.10268	0.4
209.08194	2.4
215.03487	1.0
222.86591	0.3
227.03511	0.8
229.05008	1.6
230.02206	0.3
231.03020	0.5
242.02353	0.3
243.02911	0.6
245.04498	0.4
255.02927	0.3
257.04715	0.4
258.01672	23.9
259.02432	25.8
260.02725	1.7
271.02457	12.2
272.03189	8.0
273.04001	5.8
283.02512	0.6
285.04022	2.9
286.04517	0.3
298.01047	1.1
299.02026	0.4
301.03531	53.2
302.03885	4.5
304.02252	1.1
313.03561	4.6
327.05133	0.3
331.04587	37.0
332.05002	3.6
343.04697	1.0
355.04657	1.1
362.96036	0.2
371.13489	37.5
372.13812	3.7
373.05579	1.2
383.12097	0.3
391.06696	100.0
392.07010	11.0
392.12094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98845	3.3
63.96231	0.7
69.03458	0.7
71.01388	6.6
73.02945	2.0
78.98598	5.9
79.95747	12.3
80.96528	72.7
81.03458	1.2
85.02968	2.6
87.00881	2.9
91.09748	0.6
94.98104	18.1
96.96028	1.2
97.02955	1.8
101.02465	1.5
106.98109	3.5
115.55451	0.6
122.97598	3.8
125.02487	2.4
127.04020	0.9
134.97610	5.8
136.99139	1.5
148.99174	6.8
152.98657	4.8
164.98648	13.5
206.99702	3.4
223.13359	0.7
225.00760	18.9
226.00981	0.7
255.23212	1.6
283.05078	0.7
286.73532	0.6
375.93228	0.6
395.55984	0.6
505.17487	3.2
537.27448	1.4
761.41809	100.0
762.28253	1.4
762.42084	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	0.2
57.03454	0.7
59.01384	5.8
59.01665	0.3
60.99327	0.3
61.98833	3.0
62.75120	0.3
69.03445	1.5
71.01378	3.7
71.05045	0.8
71.72350	0.5
72.99324	0.7
73.02970	0.8
80.02695	0.7
80.96558	0.3
81.03495	1.1
83.01411	0.4
83.05036	4.0
83.05438	0.3
84.02217	0.7
85.02993	0.8
87.00881	3.3
88.00443	1.1
88.98814	1.7
89.02469	2.2
93.03507	0.7
95.01431	0.5
95.05061	0.8
97.06637	0.4
101.02460	2.7
109.06664	0.4
113.02485	1.4
116.92881	0.8
119.03566	0.6
121.03001	0.3
123.04514	0.4
125.02473	0.8
125.06095	0.5
125.09735	0.6
131.43167	0.3
135.08192	0.7
143.03610	0.4
145.05099	0.4
149.09830	0.4
159.31526	0.3
161.04617	1.8
163.11304	3.5
164.11795	0.3
165.12906	2.2
167.10823	2.0
171.10326	1.9
179.05693	0.6
179.10789	0.7
179.14432	1.9
181.04774	0.3
181.12346	0.6
191.05644	1.7
191.10793	0.6
195.13922	7.0
196.14317	0.3
197.11787	0.4
198.12267	0.4
205.12340	6.4
206.12547	0.7
207.10266	0.5
209.11845	100.0
210.12173	6.7
211.13373	0.6
221.00299	0.3
223.13402	68.1
224.13730	4.7
227.12897	16.1
228.13268	1.4
232.64917	0.3
235.08180	3.2
253.09283	8.5
254.09615	0.5
255.92542	0.3
259.15573	0.3
261.14813	1.5
273.17255	0.4
315.18121	0.4
349.13333	0.3
397.23383	0.4
415.24686	0.4
441.21490	2.2
445.20828	5.2
446.20932	0.5
459.22406	10.5
460.22452	0.9
463.21753	0.9
607.51727	0.3
611.92999	0.3
633.33167	2.2
634.33063	0.4
637.91296	0.3
651.34137	5.9
652.33759	1.1
669.35260	1.9
682.85864	0.3
722.61981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
58.55589	0.3
59.01376	0.6
63.02406	3.5
65.00324	5.9
69.70016	1.9
71.01386	0.5
83.01399	3.4
85.02944	0.3
88.98782	0.4
89.02457	0.4
93.03461	2.3
95.01411	0.4
97.64830	0.3
101.02441	0.3
107.01408	11.1
108.01720	0.4
109.02946	0.7
113.02426	0.3
121.02974	9.2
125.02480	1.3
137.02425	0.4
139.04012	0.7
147.04547	0.3
149.02470	1.5
151.00394	36.5
152.00705	1.3
159.04553	0.5
161.02478	0.7
161.06100	0.3
161.50191	0.3
163.00359	0.5
163.04016	0.5
164.01147	0.6
165.01955	0.4
165.12852	0.6
169.01448	3.3
171.04460	0.3
171.10251	0.4
175.04066	0.3
178.99879	16.4
180.00224	1.0
183.04570	0.4
183.13951	2.2
187.03976	0.7
191.05609	1.1
192.00584	0.4
193.01401	0.7
201.05531	0.4
203.03529	0.3
209.08180	0.5
209.11818	0.7
211.03992	0.3
215.03368	0.4
217.05069	0.3
227.03470	0.6
227.12862	3.9
229.05046	1.1
243.03046	0.8
245.04469	0.8
255.03053	0.6
257.04572	0.7
273.03976	2.3
274.04544	0.2
289.07364	0.3
299.01962	0.7
301.03543	100.0
302.03873	8.8
302.06546	0.2
389.18167	1.2
459.27539	0.3
499.34045	0.3
525.14777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99867	0.4
57.03449	3.1
58.00592	0.4
59.01379	3.8
69.12628	0.2
70.04267	1.0
71.01368	0.5
72.99314	32.8
73.99666	0.6
75.00879	25.1
76.01228	0.2
81.03490	0.3
83.05048	1.6
85.02969	0.4
87.00877	0.4
87.04522	2.5
88.04883	0.2
97.06592	0.3
99.04531	0.3
99.15059	0.2
103.00351	0.5
104.42612	0.2
107.05025	0.3
109.03023	0.2
109.06589	0.4
120.05877	0.2
125.02468	0.2
133.06612	0.5
145.10214	0.3
151.00439	0.3
159.11673	0.3
161.09737	0.8
163.11227	1.1
175.04007	0.6
175.11305	0.7
177.09129	0.3
177.12856	0.7
189.09306	0.3
193.12344	0.4
199.03972	0.9
207.10294	3.5
221.11861	0.7
223.09702	0.2
239.12889	59.5
240.13240	4.0
243.02985	1.6
261.04083	2.5
265.10773	1.5
266.11237	0.2
283.11868	100.0
284.12201	7.7
438.00906	0.2
477.10544	1.5
503.63083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23065	0.1
58.49355	0.2
59.01387	0.4
60.54718	0.2
65.00341	0.2
65.82202	0.2
67.01860	0.2
69.72123	1.0
69.72536	0.3
71.01402	0.4
71.17896	0.2
71.97623	0.2
81.03469	0.3
83.05036	0.6
85.02967	1.5
87.00890	0.6
93.03468	3.0
93.03999	0.3
107.01431	0.3
109.02974	0.5
111.04547	1.6
113.88270	0.2
117.03515	0.3
119.05047	47.9
120.05398	2.2
121.03026	0.2
125.02466	0.5
127.04044	0.6
131.05090	0.2
133.02991	0.5
134.03777	0.5
134.20453	0.2
135.04521	0.5
137.02502	0.3
145.03023	0.3
151.00401	0.8
151.04013	0.5
155.03539	2.2
156.51913	0.2
163.04037	100.0
164.04382	5.6
167.51305	0.2
171.03079	0.3
173.04605	4.2
173.06122	0.5
175.04013	0.5
177.01981	0.3
191.05637	23.2
192.05972	1.8
193.05069	0.6
193.06468	0.3
199.04033	0.7
217.05072	0.7
243.03004	2.0
261.04041	4.6
262.04340	0.4
267.03043	0.2
285.04169	0.9
303.04941	0.2
311.89908	0.2
337.09299	42.8
338.09631	5.3
353.08572	0.9
354.08875	0.4
423.09320	3.6
424.09872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
58.07542	0.3
58.40640	0.4
59.01389	0.6
63.02401	4.0
65.00329	11.4
65.84890	0.3
65.91122	0.3
66.00641	0.4
70.86623	1.0
71.01382	0.4
73.77354	0.3
83.01395	7.2
83.05063	0.5
84.01748	0.3
85.02962	1.3
85.04874	0.3
86.61557	0.3
87.00870	0.5
93.03484	1.4
107.01406	21.2
108.01688	0.6
108.99361	0.4
109.02966	30.5
110.03298	0.9
111.04523	0.9
119.05044	25.9
120.05374	1.3
125.02467	6.8
127.04005	0.4
133.03026	0.6
134.81885	0.3
135.04547	1.0
137.02496	0.6
149.02449	1.0
151.00391	72.0
152.00687	2.5
153.01982	0.5
155.03529	1.4
163.04025	44.5
164.04358	2.7
165.01985	0.5
169.01443	5.0
173.04579	2.1
177.02019	0.4
179.03474	0.6
182.27519	0.3
191.05617	18.0
192.05891	0.9
193.05077	0.4
199.03964	0.6
215.03575	0.4
243.03011	3.0
259.02533	0.4
261.04025	74.1
262.04373	6.6
296.23355	0.3
299.92401	0.3
313.05765	0.9
337.09293	26.4
338.09735	3.1
353.08810	0.8
365.33075	0.3
407.00787	0.7
423.09332	100.0
424.09705	12.6
424.15488	0.5
438.99731	0.6
600.92639	0.3
630.28015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.1
59.01371	0.7
67.01878	0.2
69.03458	0.2
69.81356	0.5
69.81767	0.2
71.01388	0.6
73.02966	0.2
80.22330	0.1
81.03463	0.2
83.05016	0.2
85.02958	5.2
87.00884	1.1
93.03466	2.4
94.03807	0.1
98.19938	0.2
99.04520	0.2
105.03500	0.1
109.02962	0.6
111.04539	0.7
111.05183	0.1
113.02448	0.2
119.05016	0.3
127.04028	1.9
133.02960	0.9
134.03731	0.1
135.04529	1.8
137.02449	0.2
139.03929	0.1
147.44284	0.1
155.03519	0.2
161.02466	1.8
163.04012	0.6
171.03001	0.4
172.59319	0.1
173.04576	1.0
177.01884	0.2
179.03506	1.5
180.03761	0.2
184.51740	0.1
191.05621	100.0
192.05962	4.3
215.05486	0.1
220.44107	0.1
337.09250	0.2
352.07553	0.4
353.08771	16.3
354.09076	1.7
419.15103	0.1
548.19189	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	759.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98826	3.4
69.59385	15.6
71.01403	2.1
71.17360	1.7
72.97878	1.7
78.95914	5.5
96.42862	1.6
97.40134	1.6
136.36417	1.7
140.34357	1.6
152.99611	2.9
163.11295	2.0
209.11845	100.0
210.12146	5.3
227.12894	20.3
235.08266	2.1
253.09335	8.5
277.21722	49.7
278.22064	5.5
371.16714	1.9
445.20596	5.2
594.41077	1.7
759.41071	29.6
760.41803	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	757.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.8
59.01380	6.9
61.98828	3.9
68.99837	0.9
71.01387	100.0
71.72366	0.9
72.01715	1.6
73.02946	2.2
74.58246	0.6
78.95910	3.8
83.05045	1.3
85.02946	1.3
87.00880	1.4
89.02465	2.7
90.80158	0.6
97.02972	1.1
99.00887	0.8
101.02463	3.0
109.06625	2.8
113.02493	1.6
119.03478	0.9
123.08167	0.8
125.06062	0.6
125.09731	2.0
125.47019	0.6
126.23493	0.6
127.11308	2.1
135.08199	0.5
145.05151	0.7
150.73445	0.6
152.99628	1.7
155.10829	0.9
157.05063	0.6
161.04576	2.1
163.11331	2.8
171.10286	77.1
172.10590	4.2
181.08754	1.2
181.12315	1.4
188.46088	0.5
197.11790	0.9
199.09799	8.5
199.13446	0.8
201.11334	7.3
202.11728	0.7
207.10275	11.0
208.10596	0.6
209.11816	1.2
225.11336	6.8
235.08168	4.5
243.12271	1.0
253.09247	10.6
259.20547	0.8
277.21716	87.7
278.22076	9.7
366.80606	0.6
423.67657	0.6
435.18896	1.1
447.21399	0.7
461.20322	1.7
721.41852	3.3
722.41693	1.2
740.42950	0.7
756.08899	0.6
757.44318	7.2
758.43530	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
56.43674	0.3
57.03439	1.5
58.00597	0.5
59.01090	0.5
59.01383	8.6
65.66773	0.3
66.81284	0.3
67.01878	0.7
68.24461	0.3
68.99837	1.4
69.03461	0.8
70.82785	0.2
71.01386	10.2
71.18211	0.5
72.99314	2.6
73.02952	1.2
75.00880	10.3
81.03458	0.9
83.01395	0.9
83.05054	0.4
85.02959	12.1
87.00880	3.5
89.02459	2.5
93.03477	1.2
95.01401	3.4
97.02984	0.6
99.00896	6.0
101.02421	0.5
103.00371	0.9
109.02973	0.6
111.00901	0.5
111.04523	0.6
113.02467	13.3
114.02802	0.4
115.00378	1.0
117.01972	1.8
121.02971	55.7
121.10245	1.1
122.03311	2.4
123.08169	1.6
125.02499	1.0
129.01962	1.2
135.04550	0.8
138.01868	0.3
150.68335	0.3
151.03996	0.6
157.01489	0.4
163.03906	0.3
164.66869	0.3
165.09224	26.8
166.09564	1.5
173.04550	0.4
175.02489	1.4
175.03986	0.4
181.92633	0.3
189.04056	0.7
191.03455	0.2
191.05577	1.9
191.07152	2.5
209.08206	0.8
223.38017	0.3
225.11418	0.2
231.05081	3.2
243.02953	0.9
249.06148	37.7
250.06505	2.0
261.03995	1.5
353.08841	1.1
371.09729	100.0
371.13593	14.5
372.10068	10.9
372.13959	1.7
435.09161	0.8
486.79544	0.3
647.33716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19940	0.1
57.03437	0.3
59.01378	1.6
60.10163	0.1
61.98822	0.5
66.79647	0.1
67.01893	0.3
69.67982	1.1
71.01385	0.7
72.98892	0.1
72.99303	0.2
73.02969	0.3
74.23637	0.2
81.03479	0.3
83.05038	0.2
85.02961	5.6
87.00889	1.1
89.02498	0.2
89.96239	0.1
93.03470	2.9
97.02969	0.2
99.04507	0.3
101.02457	0.2
101.06091	0.2
105.03465	0.2
109.02991	0.9
111.03893	0.1
111.04542	0.9
113.02451	0.3
119.05027	0.3
121.02950	0.2
123.04522	0.3
125.02490	0.7
127.04028	1.4
128.03566	0.2
133.02979	1.7
134.03568	0.3
135.04541	1.1
137.02483	0.4
151.04022	0.3
155.03453	0.2
161.02455	2.3
162.02869	0.1
163.03996	0.2
171.03017	0.5
173.04588	1.5
174.04790	0.1
175.03992	0.3
177.01967	0.4
179.03474	0.8
191.05627	100.0
192.05965	4.3
199.03981	0.3
215.05544	0.3
243.02936	0.7
245.08173	0.2
261.04028	1.5
289.07233	0.5
298.59753	0.1
301.03537	0.2
306.07794	0.5
337.09219	0.7
351.07230	0.7
351.12762	0.2
352.07574	0.4
352.12561	0.1
353.08798	23.2
354.09122	2.8
355.08212	0.2
363.16586	1.6
392.89603	0.1
393.08441	0.3
425.08890	0.2
757.22009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
59.01366	1.0
61.98829	3.1
62.57542	0.2
65.00309	0.4
69.03450	0.6
69.41266	1.1
69.41695	1.6
71.01397	0.6
80.21893	0.3
81.03459	2.7
83.01393	2.6
85.02962	1.4
93.03451	1.1
95.05051	0.3
96.96020	0.3
97.02956	0.8
99.03017	0.2
99.04545	0.4
99.08159	0.6
101.06076	0.3
107.01397	0.9
108.02254	0.3
109.02983	1.5
119.05011	0.3
119.18426	0.3
121.02933	0.9
122.03773	1.6
123.04526	0.8
123.08210	1.4
124.01685	0.6
125.02466	11.7
125.06091	2.8
126.02815	0.4
126.44946	0.3
134.03679	0.3
135.04536	0.5
137.02463	25.4
138.02814	1.1
139.04031	0.5
141.09222	0.3
145.02956	0.3
146.03780	1.2
147.04594	0.3
147.08122	0.3
149.02507	1.3
149.06088	0.3
150.03244	1.9
150.52826	0.3
151.00404	1.5
151.04007	0.8
157.47505	0.3
159.04631	0.6
161.02449	0.6
163.00447	0.3
163.03989	0.6
164.01189	2.4
165.01952	6.9
165.09221	23.0
166.02525	0.3
166.09578	1.5
167.03548	3.9
172.05350	0.7
173.06075	1.1
174.03236	0.5
174.06720	0.3
175.04063	0.7
175.07669	2.5
176.04720	0.8
177.01950	1.0
179.03516	2.3
179.10753	0.7
187.07617	0.9
188.04758	0.4
189.09204	0.6
190.02831	0.4
191.03748	0.4
191.05632	7.5
191.07173	0.8
192.05928	0.9
199.07652	0.4
200.04839	0.8
201.05525	0.4
201.09169	2.1
203.05458	0.4
203.07101	1.5
204.04253	0.3
205.08684	0.4
209.08199	100.0
210.08524	6.1
215.07207	0.4
217.08734	2.7
219.10333	0.3
223.09787	1.5
227.03571	0.7
228.04172	0.4
229.08734	2.4
229.14497	0.3
233.08211	0.7
239.10641	0.3
247.09755	3.3
248.10059	0.3
251.09366	0.7
255.06886	0.3
255.10254	0.8
281.11905	0.5
294.08679	0.4
297.11292	0.4
299.01990	1.0
299.12863	0.6
300.02530	0.3
316.98022	0.3
323.12860	1.7
324.13367	0.3
338.96490	0.3
349.10724	0.3
367.11862	8.1
368.12253	1.2
371.13464	14.1
372.13696	1.8
385.12778	15.8
386.13239	2.1
386.17490	0.3
571.68182	0.3
651.14825	0.3
697.22931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18963	0.2
57.03444	1.8
59.01375	0.8
65.00325	0.5
65.83153	0.2
67.01922	0.2
69.03476	0.4
69.64810	1.5
71.01392	0.4
77.03972	0.2
81.03465	4.8
83.01388	2.5
83.05035	0.2
85.02955	0.5
93.03476	0.7
95.01398	0.3
95.05054	0.8
97.02967	1.4
99.04523	0.7
99.08160	0.6
101.06090	0.4
104.26383	0.2
107.01397	0.3
107.05042	0.4
109.02971	1.3
111.00823	0.2
111.04578	0.4
117.16903	0.2
119.05044	0.2
120.02138	0.2
121.03007	1.0
122.03749	0.6
123.04588	0.8
123.08174	1.8
124.01628	0.4
124.08627	0.2
125.02467	13.7
125.06098	3.4
126.02814	0.3
126.06473	0.2
133.02968	0.3
135.04541	0.7
136.05302	0.5
137.02467	17.9
137.06075	0.3
137.62131	0.2
138.02896	0.8
139.04007	0.7
141.09192	0.3
145.06639	0.2
146.03764	2.5
147.04517	0.4
147.08176	0.7
149.02472	0.6
149.06075	0.6
150.03214	0.6
151.00398	0.8
151.04054	1.1
157.06551	0.3
159.04497	0.9
161.02428	0.3
161.06067	0.4
163.00444	0.3
164.01176	4.2
165.01961	10.6
165.09225	20.9
166.02277	0.3
166.09570	1.1
167.03513	9.9
168.03830	0.4
172.05318	0.9
173.04630	0.2
173.06097	3.3
174.03232	1.4
174.06862	1.1
175.04022	0.5
175.07654	4.9
176.04753	1.0
176.08014	0.3
177.01959	2.1
179.03510	3.7
179.10803	0.3
180.03955	0.2
185.06084	0.2
186.06801	0.2
187.03999	0.6
187.07596	1.1
188.04807	0.6
189.02017	0.3
189.05519	0.3
189.09174	1.1
190.02736	0.7
190.06294	0.2
191.03542	0.7
191.05608	3.1
191.07195	1.7
192.06047	0.2
199.07635	0.4
200.04803	1.1
201.05568	0.7
201.07646	0.2
201.09261	1.5
202.06389	0.5
202.09398	0.2
203.07146	2.6
204.04248	0.3
204.07811	0.3
205.08711	1.5
209.08200	100.0
210.08539	5.7
211.04045	0.2
211.07681	0.2
212.04869	0.3
213.09204	0.4
215.07156	0.4
216.07866	0.3
217.01529	0.2
217.08701	6.8
218.09145	0.3
223.07628	0.2
223.09798	0.3
225.05666	0.9
226.06306	0.6
227.07135	0.5
228.07904	0.2
229.08704	4.4
230.08989	0.4
233.08209	0.5
239.06949	0.3
239.10719	0.5
240.07904	0.4
241.08633	0.7
244.07419	0.4
247.09735	1.7
251.07001	0.4
251.09259	0.8
252.07863	0.4
253.12192	0.2
254.05711	0.2
254.09326	0.2
255.10188	0.9
257.11777	0.6
268.07416	0.5
270.09015	0.3
273.11209	0.4
281.11902	1.2
283.09714	0.6
294.09009	0.5
295.09732	0.2
295.13538	0.2
297.11334	0.7
299.12958	1.1
301.10703	0.2
319.14230	0.2
322.03912	0.2
323.12869	3.7
324.13327	0.5
341.06448	0.5
341.10339	0.5
341.13968	0.7
349.10895	0.9
350.10916	0.2
350.50412	0.2
367.11877	18.0
368.12268	2.5
371.13470	15.1
372.13785	1.5
385.12927	19.7
386.13312	2.2
451.10309	0.2
584.24567	0.2
614.39142	0.2
771.14124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03462	0.2
58.00599	0.3
59.01378	3.2
61.98825	0.5
69.03459	0.5
69.55620	1.1
71.01386	2.7
72.99344	0.3
73.02962	0.6
80.02683	0.8
81.03030	0.2
81.03472	1.1
81.66069	0.1
83.01401	0.6
83.05032	4.1
84.02176	0.5
84.05418	0.2
85.02947	0.9
87.00871	0.7
89.02453	2.3
93.07108	0.3
95.01401	0.4
95.05026	0.5
97.02955	0.4
97.06587	0.3
99.00891	0.2
101.02455	3.0
103.17532	0.1
109.06618	0.4
111.08173	5.8
112.08485	0.3
113.02480	1.4
119.03544	0.6
125.02455	0.3
125.06111	0.6
125.09782	0.1
127.07616	0.2
133.05083	0.3
135.08176	0.4
137.09680	0.2
143.03548	0.3
145.05054	0.5
151.11328	0.3
153.12860	0.6
161.04597	1.4
163.11302	3.1
164.11623	0.2
165.12865	2.4
167.10681	0.2
169.12367	2.1
171.10274	1.0
173.09630	0.2
179.05634	0.3
179.10745	0.3
181.12321	1.2
183.13911	0.5
191.10834	0.9
197.11845	30.7
198.12180	2.1
199.13428	1.9
207.10228	0.3
209.11841	100.0
210.12177	7.4
211.13399	4.3
212.13701	0.3
225.11404	0.4
225.14966	0.1
227.12894	12.9
228.13101	1.0
229.14366	0.2
235.08247	3.5
236.08417	0.3
247.17087	0.2
249.15015	0.7
251.16486	0.3
253.09279	13.6
254.09567	0.9
263.20123	1.2
265.18066	0.7
266.18570	0.1
273.18610	0.5
291.19647	10.5
292.19977	1.0
293.21332	0.7
294.21744	0.2
309.20715	36.3
310.21072	4.1
433.21002	0.5
445.20807	1.2
446.21405	0.2
447.22681	0.2
463.21457	0.2
485.24194	0.1
501.31873	0.3
527.28735	0.2
545.29352	0.8
742.36151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03444	0.4
58.00595	0.6
59.01378	3.9
61.98833	0.7
69.03455	0.4
71.01389	3.4
71.05032	0.2
72.99329	0.2
73.02937	0.7
80.02686	0.8
81.03453	1.2
83.01398	0.7
83.05034	4.6
84.02184	0.7
84.92693	0.2
85.02947	1.1
87.00894	0.7
89.02454	2.2
91.04017	0.2
95.01407	0.3
95.05031	0.4
97.02961	0.2
97.06615	0.4
98.19836	0.3
99.00904	0.2
101.02465	3.2
109.06608	0.7
111.08173	6.3
112.08504	0.3
113.02472	1.9
119.03531	0.5
125.02438	0.4
125.06118	0.6
125.09752	0.3
127.07653	0.5
129.46419	0.1
131.03513	0.2
133.05045	0.2
135.08191	0.5
137.09714	0.2
139.11305	0.2
141.67499	0.2
143.03508	0.4
145.05080	0.4
147.11821	0.3
151.11282	0.5
153.12872	0.6
161.04593	1.8
163.10014	0.3
163.11316	3.6
164.11652	0.2
165.12857	2.1
166.13161	0.2
167.10760	0.3
169.12354	2.9
171.10315	0.6
179.05684	0.8
179.07004	0.1
179.10799	0.5
181.12360	1.3
183.13919	0.5
191.10825	0.8
193.12352	0.4
195.14018	0.1
197.11845	32.3
198.12195	1.7
199.13399	2.1
207.10236	0.3
209.11842	100.0
210.12169	7.3
211.13402	5.1
212.13707	0.5
225.11319	0.4
227.12892	13.2
228.13185	0.8
235.08226	3.4
247.20651	0.2
253.09283	16.1
254.09566	0.9
263.20184	2.3
264.20538	0.2
265.18103	0.7
273.18588	0.8
291.19647	12.4
292.19934	1.4
293.21188	0.6
309.20721	45.0
310.17371	0.2
310.21042	4.7
310.24387	0.3
340.90219	0.2
415.19711	0.2
433.20834	0.3
445.20868	0.9
446.21323	0.2
463.21451	0.3
501.32129	0.5
519.32971	0.4
527.28577	0.4
545.29364	1.0
546.29956	0.2
747.54333	0.2
755.42169	0.3
772.19000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03432	2.0
58.00578	1.6
59.01379	13.3
69.03461	0.9
71.01385	39.4
71.05026	0.6
71.18739	1.4
72.01704	0.6
72.99293	0.9
73.02946	4.3
80.02673	0.9
81.03470	1.7
83.01374	2.4
83.05029	4.7
85.02961	4.8
86.33274	0.7
87.00889	3.2
89.02456	5.5
91.03974	0.6
93.03382	0.6
95.01368	0.7
95.05023	2.0
97.02974	2.7
97.06619	1.1
99.00891	1.8
101.02458	7.3
107.05040	0.9
109.06607	10.5
110.03709	0.6
111.00887	1.1
111.08169	6.0
112.08517	0.6
113.02459	5.0
113.09757	0.9
119.03529	1.4
121.06551	0.5
121.10226	1.1
123.04530	0.8
123.08199	0.7
125.09737	2.7
127.11288	2.5
135.08165	1.6
137.09735	1.3
139.07669	1.1
139.11282	0.7
143.03510	1.7
145.05095	1.6
149.09721	0.9
151.11238	0.8
153.09235	0.7
153.12909	0.7
155.10817	1.9
161.04564	3.7
161.09746	1.5
163.11302	10.0
163.12534	1.0
165.09189	1.1
165.12842	1.5
167.10829	1.9
171.10280	47.7
172.10632	3.0
177.12857	1.3
179.05659	1.5
179.10736	2.2
179.14362	1.0
181.12378	4.4
185.11850	2.6
189.09247	1.6
191.05621	1.3
195.13895	10.6
197.11835	2.5
199.09787	1.5
199.13432	1.4
201.11328	22.2
202.11717	1.1
203.14378	0.6
205.12473	0.8
207.10269	27.0
208.10599	1.8
209.11838	55.8
210.12207	4.2
211.13361	1.1
215.12904	1.8
223.13390	5.7
224.13718	0.8
225.11320	35.6
226.11714	3.2
227.12917	7.0
228.13298	0.8
235.08180	5.7
235.17143	0.7
243.12370	2.7
247.20662	1.3
253.09283	24.4
254.09621	1.6
256.13092	0.9
263.20425	0.6
273.18527	0.8
275.20154	11.0
276.20520	1.2
291.19653	46.1
292.19998	4.6
292.87381	0.5
293.21225	100.0
294.18533	1.1
294.21561	12.3
294.24518	0.4
295.10364	2.0
309.20767	1.9
370.86481	0.6
391.60532	0.7
443.19272	2.4
461.20239	7.3
462.20651	1.0
469.09326	0.5
477.31982	0.9
479.21463	0.6
492.21747	0.7
530.31055	0.6
668.33734	0.7
737.41302	5.5
738.42273	1.5
755.42474	3.4
756.42834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19648	0.6
59.01381	3.3
59.49428	0.5
61.98833	100.0
63.99264	1.3
71.01385	9.8
71.72041	0.7
73.02955	1.1
75.00889	1.0
78.95931	3.4
79.95745	5.9
80.96523	9.4
81.95327	1.3
82.96114	0.9
83.01386	0.9
83.05018	0.7
85.02966	3.8
85.89697	0.5
87.00905	1.6
88.98827	1.3
89.02460	1.1
91.47807	0.5
93.03487	1.6
94.98112	2.8
95.01424	1.6
96.96024	1.1
96.96957	0.6
97.02946	0.7
99.00909	1.3
101.02471	2.1
102.02803	0.6
108.02176	5.3
109.02973	1.7
109.06589	1.0
110.00124	1.2
111.00923	0.7
111.04546	0.6
116.92873	0.9
122.97600	0.7
123.00896	7.9
123.04543	5.0
124.01680	42.9
125.02570	2.9
125.09765	1.0
127.04044	1.2
133.20677	0.5
134.97623	0.8
136.01736	1.8
137.02461	4.6
138.03270	1.8
139.04033	38.7
140.04401	1.7
145.03064	0.8
148.99173	0.7
149.02507	2.2
151.00415	0.8
151.04022	1.5
152.01138	5.3
152.98676	0.8
161.02522	0.6
163.04068	2.2
163.07700	1.2
164.98659	1.7
165.01978	1.1
171.10318	4.5
173.04611	0.8
175.03970	0.7
177.05609	0.7
178.06395	0.6
178.93362	0.6
179.07144	15.2
189.05632	1.9
189.32407	0.7
191.05624	36.7
191.07114	2.9
192.06029	1.6
192.07961	6.8
199.04254	0.8
201.11343	1.5
205.08749	0.9
206.05856	9.8
206.99730	0.8
207.06648	36.8
207.10263	29.9
208.07114	3.4
208.10548	2.7
209.11914	2.6
221.08133	5.0
222.08838	1.5
225.00743	4.0
225.11372	1.1
227.12889	0.8
243.03127	0.6
253.09460	1.0
255.03088	0.6
259.48828	0.6
269.04593	0.6
283.02527	0.9
285.03983	1.3
289.07248	1.1
301.03513	0.6
320.43988	0.6
329.10410	2.4
330.11066	11.4
331.11545	1.6
343.08408	1.2
345.13443	35.3
346.13812	2.6
363.56979	0.5
447.07538	1.5
474.15305	0.6
489.17651	1.1
507.18707	17.2
508.19226	3.0
534.17438	2.7
549.19708	44.4
550.20013	9.3
641.62158	0.5
653.27368	0.6
711.25195	19.4
712.25714	5.3
737.30707	3.4
755.30951	8.7
756.33783	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	755.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19648	0.6
59.01381	3.3
59.49428	0.5
61.98833	100.0
63.99264	1.3
71.01385	9.8
71.72041	0.7
73.02955	1.1
75.00889	1.0
78.95931	3.4
79.95745	5.9
80.96523	9.4
81.95327	1.3
82.96114	0.9
83.01386	0.9
83.05018	0.7
85.02966	3.8
85.89697	0.5
87.00905	1.6
88.98827	1.3
89.02460	1.1
91.47807	0.5
93.03487	1.6
94.98112	2.8
95.01424	1.6
96.96024	1.1
96.96957	0.6
97.02946	0.7
99.00909	1.3
101.02471	2.1
102.02803	0.6
108.02176	5.3
109.02973	1.7
109.06589	1.0
110.00124	1.2
111.00923	0.7
111.04546	0.6
116.92873	0.9
122.97600	0.7
123.00896	7.9
123.04543	5.0
124.01680	42.9
125.02570	2.9
125.09765	1.0
127.04044	1.2
133.20677	0.5
134.97623	0.8
136.01736	1.8
137.02461	4.6
138.03270	1.8
139.04033	38.7
140.04401	1.7
145.03064	0.8
148.99173	0.7
149.02507	2.2
151.00415	0.8
151.04022	1.5
152.01138	5.3
152.98676	0.8
161.02522	0.6
163.04068	2.2
163.07700	1.2
164.98659	1.7
165.01978	1.1
171.10318	4.5
173.04611	0.8
175.03970	0.7
177.05609	0.7
178.06395	0.6
178.93362	0.6
179.07144	15.2
189.05632	1.9
189.32407	0.7
191.05624	36.7
191.07114	2.9
192.06029	1.6
192.07961	6.8
199.04254	0.8
201.11343	1.5
205.08749	0.9
206.05856	9.8
206.99730	0.8
207.06648	36.8
207.10263	29.9
208.07114	3.4
208.10548	2.7
209.11914	2.6
221.08133	5.0
222.08838	1.5
225.00743	4.0
225.11372	1.1
227.12889	0.8
243.03127	0.6
253.09460	1.0
255.03088	0.6
259.48828	0.6
269.04593	0.6
283.02527	0.9
285.03983	1.3
289.07248	1.1
301.03513	0.6
320.43988	0.6
329.10410	2.4
330.11066	11.4
331.11545	1.6
343.08408	1.2
345.13443	35.3
346.13812	2.6
363.56979	0.5
447.07538	1.5
474.15305	0.6
489.17651	1.1
507.18707	17.2
508.19226	3.0
534.17438	2.7
549.19708	44.4
550.20013	9.3
641.62158	0.5
653.27368	0.6
711.25195	19.4
712.25714	5.3
737.30707	3.4
755.30951	8.7
756.33783	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	754.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.1
59.01376	0.1
59.26516	0.1
60.71245	0.1
61.98831	100.0
62.98520	0.1
71.01398	0.2
71.29602	0.1
71.29929	0.1
78.95905	0.2
80.96516	0.4
83.91153	0.1
85.02979	0.2
93.03466	0.1
94.98126	0.1
109.02982	0.2
112.23757	0.1
125.02472	0.3
137.02516	0.1
142.06181	0.1
151.04028	0.1
179.03499	0.1
191.05627	2.6
192.06078	0.1
197.42236	0.1
209.11803	0.3
210.12219	0.1
225.00766	0.2
289.07407	0.2
299.01953	0.1
412.05502	0.1
426.56720	0.1
434.25879	0.1
737.30670	0.1
754.31085	0.3
755.32452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
56.62733	0.2
57.03445	0.9
57.42075	0.2
58.00576	0.2
59.01379	7.6
61.98830	4.2
67.01895	0.2
69.03457	0.8
70.93166	0.5
71.01382	4.5
71.05040	0.3
72.99313	0.5
73.02941	1.1
76.62744	0.2
78.91885	0.3
78.95902	0.2
80.02679	1.7
80.89487	0.2
81.03469	2.4
83.01384	1.4
83.05032	6.0
84.02179	0.8
85.02953	1.3
87.00881	1.2
87.13554	0.2
89.02451	2.9
91.04014	0.2
93.03503	0.6
95.01395	0.6
95.05026	1.5
97.02959	2.5
97.06596	1.9
99.00903	0.7
101.02454	4.6
106.04267	0.4
107.05039	0.5
109.02957	0.4
109.06603	9.5
110.03751	0.5
110.06931	0.3
111.04560	0.4
111.08177	2.3
113.02464	2.5
119.03541	0.7
121.06607	1.4
123.04542	1.0
123.08179	0.6
125.02440	0.5
125.06113	0.7
125.09740	2.4
126.10032	0.2
127.07674	0.3
129.01927	0.3
133.05116	0.4
135.08186	2.5
136.05328	0.6
137.06020	0.3
137.09744	1.0
141.01985	0.3
141.12918	0.3
142.02727	0.7
143.03571	0.4
145.05089	0.9
145.10242	0.3
147.08194	0.2
147.11859	0.3
149.06009	0.3
149.09717	0.3
151.11279	0.5
153.12856	0.4
160.40779	0.2
161.04593	1.8
161.09698	1.0
163.11301	10.9
164.08363	0.2
164.11644	0.5
165.12859	2.8
167.10820	0.4
169.12393	1.0
171.10274	2.5
175.11208	0.2
177.12878	0.4
179.05620	0.3
179.10826	0.8
181.12373	2.5
182.12869	0.2
183.13914	0.6
185.11841	2.9
189.09230	0.8
191.05746	0.4
191.10762	1.7
191.14438	2.4
192.14755	0.2
193.12309	0.4
195.13977	0.3
197.11845	9.6
198.12183	0.8
199.13362	1.2
207.10274	25.8
208.10585	1.8
209.11835	100.0
210.12163	6.9
211.13390	2.9
212.13818	0.2
217.16046	0.5
223.09731	0.6
225.11324	12.8
226.11699	1.3
227.12891	12.5
228.13246	0.9
229.01363	0.3
235.08237	3.9
237.11314	1.0
243.12392	0.4
245.19081	4.8
246.19411	0.4
249.14944	0.3
251.12810	0.4
253.09274	13.5
254.09627	0.9
257.00836	0.3
263.20145	1.7
264.20541	0.4
265.18039	0.3
271.02573	0.3
271.17075	0.8
273.18790	0.3
279.19809	0.2
281.21112	0.3
289.18088	23.5
290.18387	2.4
291.19632	4.3
292.19919	0.2
293.21188	0.8
299.14822	0.3
307.19147	20.8
308.19470	2.5
309.20718	12.1
310.21100	1.3
323.18668	0.2
325.06985	0.3
327.19604	0.4
331.19116	0.3
345.20660	0.3
347.22174	0.3
401.23181	0.5
419.24197	0.4
443.19476	1.4
445.20691	0.9
461.20297	3.7
462.20532	0.6
471.81262	0.2
481.29669	0.5
499.30573	0.9
511.02963	0.2
517.31525	0.5
525.27124	0.4
539.02246	0.4
543.28021	0.5
557.15497	0.2
583.08698	0.7
615.08105	0.3
623.30316	0.3
637.31879	1.0
639.14771	0.4
655.32922	0.3
717.38556	0.6
718.39233	0.3
735.39313	1.7
736.40753	0.6
753.40918	10.2
754.28406	0.3
754.41248	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	753.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90182	0.3
57.03457	1.2
58.04110	0.3
59.01382	3.1
60.99290	0.3
61.98833	100.0
62.98539	0.9
63.99261	0.9
65.30550	0.3
69.03472	0.5
71.01388	32.3
71.05013	0.3
72.01715	0.6
72.99307	0.5
73.02950	1.4
75.00879	0.8
77.66503	0.4
78.91889	0.7
78.95910	1.5
78.98599	2.0
79.95734	4.0
80.02670	0.9
80.91697	2.5
80.96524	17.6
81.03470	1.4
83.01421	0.7
83.05020	3.2
84.02165	0.4
85.02961	2.1
87.00896	1.4
88.98815	1.7
89.02470	1.6
94.98097	4.5
95.01450	0.5
95.05054	0.7
96.96019	4.8
96.96995	1.4
97.02969	2.5
98.89738	0.4
99.00915	1.0
101.02447	2.9
101.41940	0.4
106.98090	0.8
109.02966	0.5
109.06604	5.9
113.02493	1.1
116.92836	0.4
121.06647	0.6
122.97581	1.0
123.04535	0.8
123.08093	0.5
125.02456	3.5
125.06092	0.4
125.09728	1.8
127.03977	0.7
127.11248	0.5
134.97607	1.2
135.08188	1.1
137.02440	1.0
142.02771	0.4
145.10240	0.4
148.99159	1.3
151.04012	0.9
152.98642	1.5
161.02435	1.1
161.04622	0.7
163.11301	5.4
164.11792	0.4
164.98663	2.7
165.01968	0.5
165.12848	1.1
169.12323	0.7
169.67036	0.4
171.10294	8.3
171.11661	0.7
172.10576	0.5
179.05663	0.4
181.12352	1.9
185.11832	1.4
189.09270	0.5
191.05638	1.0
191.10780	0.5
197.11893	1.5
198.21075	0.4
199.09709	0.6
199.13411	0.8
201.11380	2.7
206.99709	0.9
207.10277	17.0
208.10567	1.3
209.11844	43.8
210.12132	3.3
211.13390	1.6
212.13600	0.4
223.13274	0.5
224.98843	0.6
225.00768	5.2
225.11316	12.9
226.01215	0.6
226.11670	1.0
227.12935	5.2
229.36475	0.4
235.08257	1.7
241.16426	0.4
243.12386	1.6
245.08078	0.4
253.09268	4.9
289.07251	1.4
307.19199	0.6
399.21469	1.0
400.22366	0.5
417.22821	0.8
443.19037	0.9
461.20172	3.9
462.20901	0.5
479.21356	0.5
509.16913	0.7
525.19843	0.5
623.31079	0.4
635.30676	1.7
653.31726	1.9
671.32813	4.1
672.33459	1.0
689.34491	0.7
721.36084	0.8
735.29449	0.5
753.33923	22.4
754.34106	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	753.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	0.3
57.03450	0.4
58.00600	0.4
59.01375	3.0
59.08178	0.2
59.42347	0.2
61.98832	100.0
62.98542	0.8
63.99268	0.7
69.03441	0.3
69.29592	0.2
71.01387	24.7
71.05007	0.3
71.72210	0.3
72.01717	0.4
73.02969	0.9
75.00855	0.3
78.91893	0.7
78.95907	0.3
78.98618	0.3
79.95753	1.5
80.02689	0.7
80.91688	1.0
80.96523	4.9
81.03468	0.8
83.01442	0.6
83.05029	2.2
84.02184	0.4
85.02990	0.8
87.00884	0.8
88.98800	0.4
89.02473	1.0
93.03484	0.5
94.98110	1.2
95.01447	0.3
95.05035	0.5
96.96030	0.6
97.02974	1.5
97.06580	0.2
97.97784	0.3
99.00908	1.3
101.02470	2.2
109.02923	0.4
109.06606	4.3
110.03722	0.3
113.02483	1.3
116.92908	0.3
119.03543	0.4
122.97596	0.3
123.04554	0.5
125.02451	2.1
125.06119	0.4
125.09769	0.9
127.11371	0.3
135.08174	0.8
137.02464	0.6
137.07176	0.3
142.02742	0.3
143.03546	0.3
143.99677	0.3
148.99202	0.4
151.04063	0.4
161.02484	0.3
161.04620	0.7
161.09743	0.6
163.11319	4.2
164.98669	0.5
165.01843	0.4
165.12971	0.7
171.10297	6.4
172.10684	0.3
181.12387	2.0
185.11870	0.9
191.05670	0.6
191.10892	0.4
197.11890	0.8
199.09796	0.7
199.13400	1.1
201.11356	2.4
206.99683	0.4
207.10286	12.4
208.10617	1.0
209.11852	34.0
210.12137	2.4
211.13420	0.5
225.00859	1.5
225.11327	10.5
226.11630	0.5
227.12889	4.6
228.13126	0.4
235.08208	1.3
243.12430	1.1
253.09264	3.6
289.07217	0.7
399.21780	0.8
417.22858	0.8
443.19070	0.7
461.20343	2.3
462.20709	0.5
479.21365	0.3
547.34479	0.3
591.33832	1.1
635.30914	1.1
653.31586	1.3
671.32880	2.5
672.33380	1.0
689.34552	0.7
690.34076	0.3
721.36859	1.3
722.38074	0.4
753.33673	4.7
754.34442	0.8
776.89868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01379	1.7
61.98832	91.1
62.98532	0.6
63.96242	1.5
69.03452	0.8
69.29541	0.3
71.01387	11.5
71.72076	0.8
72.99342	0.6
73.02944	1.5
75.00871	0.7
75.30786	0.4
78.91932	0.5
78.95905	0.8
78.98595	5.8
79.95744	100.0
80.96525	75.8
81.03437	0.8
83.05033	0.7
85.02953	3.3
87.00896	2.7
88.98819	0.5
93.03483	0.6
93.97314	0.6
94.98099	17.1
95.01424	0.5
96.96020	2.6
96.96970	0.5
97.02984	2.0
99.00890	1.0
99.04517	0.7
101.02449	2.1
104.80370	0.4
106.98118	3.7
109.02898	0.5
110.03273	0.4
111.94735	0.5
113.02457	0.6
115.04094	0.4
122.97604	6.7
123.04576	0.5
125.02464	6.9
127.04023	1.3
133.02924	0.5
134.97597	6.4
135.04501	0.9
136.99164	2.7
137.02477	1.2
143.03548	0.6
146.97679	0.5
148.99133	6.4
151.04054	0.6
152.98645	7.1
161.04568	2.3
163.11259	0.6
164.98653	13.6
165.01863	0.4
171.10306	1.6
177.01898	0.7
179.00253	0.9
182.99734	0.6
188.98608	0.9
191.05643	3.6
197.11810	1.4
201.11278	1.0
206.99701	10.1
207.10248	1.3
208.07445	0.4
209.11833	7.1
215.12906	0.4
223.99898	0.7
225.00743	32.9
225.11278	1.0
226.00981	1.4
227.12921	0.9
241.00215	4.8
243.02991	0.9
244.03362	0.7
271.02457	0.9
272.02780	0.8
281.03442	0.4
283.02344	0.4
283.04971	2.9
289.07053	1.3
299.01831	1.1
299.04880	0.6
300.02335	0.9
301.02753	0.5
340.06296	0.4
341.05527	8.3
342.05777	0.7
355.06985	1.9
356.07486	0.5
359.45786	0.4
383.10324	0.8
385.14868	0.6
397.11710	1.3
411.13303	0.8
413.07516	0.6
423.13129	0.5
425.14893	7.5
426.15503	0.5
441.10257	0.6
442.76596	0.4
469.13525	1.0
483.15494	2.4
507.15997	1.1
509.16934	6.0
510.17142	1.0
516.15228	1.3
525.16028	1.2
526.40570	0.4
539.18164	1.4
540.17908	0.5
550.16040	0.6
551.17798	1.8
567.24670	1.6
568.18042	2.1
581.19202	2.7
582.19836	0.6
583.19653	0.7
595.20599	1.8
609.22369	3.8
623.25653	1.3
637.24835	0.9
651.26923	6.8
652.27277	3.3
707.29810	2.1
735.29169	34.2
736.29449	8.5
736.79224	0.5
753.30389	53.5
754.30731	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	753.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.2
61.81922	0.2
61.98827	0.3
69.64095	1.4
71.01386	0.3
72.53225	0.2
77.03986	0.5
79.01917	0.3
83.01395	0.2
95.05075	0.2
95.46006	0.2
98.19867	0.2
105.03477	0.8
107.01422	0.4
109.03004	0.2
110.63391	0.2
119.05068	0.4
121.02979	0.6
123.04542	0.3
123.08182	0.7
125.02458	0.4
125.06086	0.4
145.03049	0.2
148.01642	0.2
149.02460	2.6
151.07672	1.2
154.57056	0.2
161.02422	0.5
163.04065	1.3
167.07089	0.4
173.05992	0.2
174.06886	0.2
175.04016	0.4
179.03641	0.2
190.02663	0.3
191.03516	0.8
191.05458	0.4
195.06645	6.8
196.06985	0.6
202.06346	0.4
203.03456	0.3
203.10812	0.5
207.10213	0.2
216.00580	0.3
217.05054	10.8
218.05841	19.3
219.06294	1.8
228.04272	0.3
229.05157	0.2
231.10184	0.3
232.07442	1.2
233.08040	1.2
245.08113	0.4
247.09747	44.6
248.10068	3.5
257.08194	2.4
259.09576	0.3
273.07669	0.8
275.09235	86.1
276.09573	7.5
278.07983	0.3
287.09247	2.2
292.17462	0.2
305.10333	2.3
306.10452	0.2
317.10153	0.2
357.11954	2.0
358.12231	0.5
395.13474	100.0
396.13834	11.3
636.91760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03434	0.2
58.68753	0.2
59.01381	0.7
69.66116	0.3
69.66522	1.1
71.01380	1.5
73.02954	0.4
75.90221	0.2
77.14736	0.2
79.04047	0.2
79.05544	0.6
81.03468	1.6
83.01353	0.3
85.02958	0.8
91.01893	0.9
94.79385	0.2
95.01376	0.2
99.00904	0.2
101.02450	0.6
101.25359	0.2
107.01392	0.2
109.02958	0.2
111.04532	0.3
113.02472	0.3
121.03024	0.3
121.10242	5.0
122.03738	1.6
123.04561	0.4
123.08185	7.0
124.08517	0.3
125.02438	0.6
126.92886	0.2
131.42435	0.2
135.04541	0.2
136.26436	0.2
137.02420	0.3
147.08162	0.8
149.02473	0.5
152.08228	0.2
153.09225	0.4
161.02441	0.3
163.03987	0.4
165.09224	100.0
166.09561	6.3
179.03503	0.2
189.09192	0.3
191.05670	0.7
191.07149	11.4
192.07515	0.6
197.08241	0.7
202.02800	0.4
207.10252	0.6
208.07564	0.3
209.08203	5.2
210.08549	0.3
217.05031	1.0
218.05872	3.4
219.06421	0.3
233.08185	11.8
234.08534	0.7
243.06757	0.4
245.04599	0.2
251.09206	0.4
261.07675	19.5
262.08017	2.0
264.06223	0.3
271.15631	0.2
273.07724	0.5
289.07150	0.3
291.08765	0.6
299.01968	0.2
301.03497	0.2
315.77835	0.2
365.08694	0.2
371.13477	92.0
372.13818	10.6
381.11917	24.7
382.12256	2.8
602.57758	0.2
703.34192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
69.47623	2.9
71.01392	0.4
78.83154	0.3
83.05059	0.5
85.02963	1.4
87.00893	0.5
92.06474	0.3
93.03464	2.3
103.04220	0.3
108.02188	17.9
108.98087	0.3
109.02455	0.5
111.04535	1.7
119.05045	40.4
120.05394	2.1
123.04543	9.4
127.04038	0.3
133.02956	0.5
135.04601	0.4
152.01175	39.3
153.01472	1.9
155.03537	1.8
161.02470	0.3
163.04025	76.9
164.04370	4.4
167.03514	100.0
168.03859	4.9
173.04596	2.6
174.03235	0.7
179.03650	0.4
189.05569	0.4
191.05615	17.3
192.06035	0.8
193.06325	0.3
226.71284	0.4
311.07700	3.4
337.09290	29.1
338.09631	3.8
353.08472	0.5
364.53778	0.3
371.09808	2.5
448.96967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98832	100.0
62.98532	0.2
62.99279	0.1
63.99265	0.1
69.36826	0.8
71.01395	0.3
75.00903	0.1
78.95934	0.1
79.95732	0.1
80.96536	0.1
88.98839	0.2
94.98102	0.1
98.19802	0.1
98.73938	0.1
101.02498	0.1
109.06600	0.1
113.66521	0.1
125.02486	0.2
128.03566	0.1
129.55370	0.1
140.01129	0.1
148.26100	0.1
151.04008	0.1
154.49010	0.1
163.11290	0.1
171.10361	0.2
191.05675	0.1
193.38921	0.1
197.12018	0.2
207.10390	0.2
209.11864	1.2
210.12245	0.3
211.13542	0.5
212.13771	0.2
225.11374	0.3
227.12982	0.3
253.09277	0.1
273.17114	0.1
289.07129	0.1
289.18118	0.1
551.37390	0.1
573.10461	0.1
734.38983	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	753.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.9
63.02396	1.4
65.00327	17.0
71.01365	0.6
71.72359	1.5
80.79481	0.6
81.03494	1.1
83.01391	9.0
85.02949	0.7
95.01369	1.1
95.05009	0.8
107.01402	23.3
108.01643	0.8
109.02971	3.3
121.02993	1.5
123.00915	1.3
123.04556	8.9
124.01678	3.2
125.02468	68.3
126.02798	2.4
133.02988	2.5
135.04524	2.2
137.02457	1.6
139.03999	1.2
139.67258	0.6
144.37071	0.6
146.03566	0.7
149.02496	4.2
150.03242	13.0
151.00391	100.0
151.04010	19.8
152.01187	16.0
152.04337	1.0
153.01958	7.7
161.02486	1.5
161.06082	1.3
165.01932	1.7
167.03528	2.9
169.01440	3.1
171.04552	1.0
173.06079	0.7
174.03204	2.0
175.04030	13.2
175.42509	0.8
176.01189	1.4
176.04379	0.9
177.01942	15.3
178.02153	0.9
178.99883	22.7
180.00230	0.8
181.01370	1.1
188.04794	1.6
189.05551	2.9
191.03618	0.7
191.05598	1.2
193.05054	1.6
198.03249	0.9
199.04033	7.7
201.02039	1.8
211.04079	0.7
213.05670	1.5
215.03532	1.0
216.04274	1.5
217.05049	7.2
217.83803	0.6
231.06700	1.1
241.05063	5.9
243.02852	1.0
257.04413	2.1
259.06107	2.8
273.03958	1.5
275.05652	3.6
285.04047	89.5
286.04379	7.9
297.09830	2.4
301.03519	3.1
302.04050	4.1
303.05109	69.3
303.14481	2.0
304.05417	6.1
317.02869	0.7
323.07751	2.2
332.50751	0.7
414.93533	0.8
431.10043	0.9
449.10886	75.3
450.11234	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	752.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98529	0.2
70.48170	0.1
70.48581	0.1
71.01385	0.1
71.64309	0.0
78.98626	0.1
79.95733	0.1
80.96513	0.2
88.98818	0.1
91.84594	0.0
101.02509	0.1
115.40891	0.0
116.92857	0.0
125.02438	0.2
137.02451	0.1
151.04073	0.0
161.02498	0.1
161.04567	0.0
163.04095	0.0
164.98535	0.0
165.01898	0.1
171.10344	0.1
191.05751	0.0
207.10347	0.1
209.11850	0.5
225.00708	0.1
225.11383	0.1
227.12778	0.1
235.08566	0.0
239.75023	0.0
253.09441	0.1
273.17465	0.0
289.07175	0.1
379.25931	0.0
401.35309	0.0
407.07880	0.0
461.20505	0.0
471.24902	0.1
649.36072	0.1
752.33954	0.1
753.32764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12420	0.1
59.01372	0.2
61.98831	100.0
62.98541	0.1
71.01394	0.3
78.95935	0.2
80.96513	0.1
83.05025	0.2
89.79261	0.1
94.98111	0.1
97.06625	0.1
101.02491	0.1
109.06630	0.2
113.02522	0.1
119.08716	0.2
125.02412	0.1
125.06125	0.1
125.09745	0.1
135.08202	0.3
136.41425	0.1
161.04552	0.1
163.11322	0.2
171.10258	0.7
181.12375	0.1
185.11830	0.2
191.05608	0.1
197.11871	0.2
199.13434	0.1
207.10350	0.3
207.84164	0.1
209.11833	2.6
210.12253	0.3
211.13512	0.7
212.13799	0.3
213.14273	0.1
225.11382	0.4
227.12846	0.4
235.08228	0.2
235.13480	0.1
253.09349	0.3
270.85934	0.1
271.17169	0.1
283.02551	0.1
289.18011	0.4
294.21567	0.2
305.17792	0.1
307.19232	0.5
309.20810	0.2
311.22229	0.1
327.08896	0.1
341.06894	0.1
382.04828	0.1
397.13608	0.1
405.98285	0.1
461.19739	0.1
492.10049	0.1
575.76239	0.1
734.40094	0.1
735.40649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
61.98833	0.1
65.03962	0.2
67.01884	0.5
68.99816	0.1
70.96975	0.3
71.05025	0.2
73.02947	0.1
79.01886	0.3
79.05542	0.5
81.03442	0.1
81.07100	0.1
84.59077	0.1
91.01847	0.1
95.05058	0.2
97.02959	0.2
97.06621	0.1
99.08169	0.4
101.06088	0.4
107.05013	0.2
109.02959	0.2
109.06581	0.1
121.06612	3.2
122.03786	0.1
122.06944	0.2
123.04545	2.8
124.04843	0.1
125.06102	5.1
126.06401	0.2
127.07680	0.1
130.48990	0.1
134.13829	0.1
135.08105	0.1
137.06113	1.0
137.08762	0.1
137.09753	1.6
137.56027	0.1
139.04015	0.2
139.94499	0.1
147.04562	0.5
149.02397	0.2
149.09714	0.8
151.04007	1.3
163.04022	0.2
163.11322	0.1
164.04770	0.2
165.05591	6.4
166.05925	0.3
177.01930	0.3
179.10756	0.3
185.09753	0.2
187.07645	0.2
187.11337	0.3
188.08324	0.1
189.05548	0.2
191.03532	1.6
193.08691	0.1
203.10780	2.9
204.11185	0.3
205.12347	5.2
205.14288	0.2
206.12660	0.4
207.10278	0.3
217.08704	0.6
220.07277	0.1
221.11844	0.5
223.09650	0.6
231.10283	2.4
232.10538	0.2
233.08244	0.5
235.09756	5.0
236.10112	0.5
245.08203	0.1
247.09741	0.6
249.11311	31.8
250.11655	2.6
273.11374	0.2
287.13217	0.1
288.13712	0.2
298.54645	0.1
313.21790	0.2
331.23096	0.1
353.14835	0.1
357.20712	1.1
358.21313	0.1
375.21774	100.0
376.22110	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	751.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.4
53.28930	0.4
55.01870	0.6
57.03450	1.1
58.00608	0.5
58.69949	0.3
59.01118	0.7
59.01381	5.9
61.98832	100.0
68.99828	1.5
69.03461	2.6
69.52901	1.7
69.53326	1.3
70.15498	0.3
71.01387	42.3
71.05047	0.4
72.01730	0.5
72.99325	1.4
73.02938	2.1
75.00873	4.9
77.95697	0.4
78.95905	0.6
79.95747	0.5
80.02689	0.7
80.96526	1.9
81.03463	1.2
83.01401	1.9
83.05036	2.2
84.02180	0.7
85.02956	2.6
87.00891	8.0
88.98828	1.0
89.02454	2.5
94.98117	0.4
95.01401	0.7
95.05065	1.5
97.02959	4.1
97.06602	1.5
99.00906	1.2
99.04553	0.5
101.02460	4.1
107.05046	0.5
109.02969	1.0
109.06606	6.2
110.03782	1.3
111.04517	3.4
111.08154	0.7
113.02479	2.4
119.03502	0.5
119.08668	0.4
121.02960	0.5
121.06643	0.4
122.03802	0.4
123.04557	1.9
123.08184	1.8
124.01718	0.4
125.02483	1.6
125.06156	0.7
125.09740	4.9
127.11302	1.0
135.08183	1.5
136.05356	0.9
137.02531	0.5
137.09792	0.8
142.02766	1.3
143.03548	0.7
143.10811	0.9
149.06039	0.4
149.09775	0.8
151.11302	1.0
153.09236	0.8
155.10835	0.7
161.02481	0.6
161.04576	1.7
161.09714	2.5
163.11304	6.1
164.11584	0.6
169.12350	1.0
171.10284	13.5
172.10689	0.9
177.01947	0.4
177.09283	1.1
179.05809	0.4
179.10789	4.3
181.12321	1.7
185.11845	2.3
187.09758	1.2
189.09203	0.6
191.05565	0.5
191.10826	0.8
195.10332	0.9
195.13939	0.8
197.11922	3.2
199.09831	0.9
199.13496	0.6
201.11330	6.1
202.11618	0.5
205.08711	5.7
207.10278	22.9
208.10692	1.5
209.11838	11.5
210.12259	1.6
211.13467	3.3
212.13766	1.0
213.11330	2.2
215.12915	1.1
221.11890	0.8
223.09764	12.6
224.10272	0.7
225.00851	0.9
225.11337	9.4
226.11888	0.8
227.12886	1.7
235.08246	1.8
239.12892	13.0
240.13370	1.1
241.10899	1.2
241.14445	0.8
243.12381	1.1
253.09338	5.7
271.15549	0.8
273.17075	32.1
274.17355	2.4
287.16653	0.6
289.07343	0.9
293.21323	1.2
397.13425	2.1
450.72678	0.4
459.12781	0.3
459.18903	1.5
461.20499	1.3
684.77039	0.5
693.61163	0.4
715.35553	0.6
733.37225	1.4
751.33832	1.6
752.33417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.4
55.01873	0.4
57.03450	1.1
58.00609	0.4
59.01381	5.4
61.63351	0.3
61.98832	100.0
62.98539	0.3
63.99254	0.3
68.99819	0.9
69.03459	1.6
70.80611	0.3
71.01388	39.1
71.05036	0.4
71.72411	0.4
72.01726	0.8
72.99318	0.8
73.02947	1.7
75.00877	5.4
78.62090	0.3
78.95914	0.4
79.95741	0.4
80.02697	0.5
80.96531	1.7
81.03474	1.2
83.01392	2.1
83.05028	1.8
84.02192	0.6
85.02958	2.1
85.84628	0.3
87.00883	9.4
88.98839	0.9
89.02466	2.5
94.98145	0.7
95.01375	0.7
95.05035	0.7
97.02959	3.3
97.06612	1.1
99.00906	0.8
101.02464	3.6
107.05033	0.6
109.02975	1.2
109.06615	5.2
110.03748	1.2
111.00911	0.4
111.04535	3.1
111.08167	0.8
113.02442	1.8
113.18895	0.3
116.92910	0.3
117.07183	0.4
119.03503	0.5
121.06595	0.5
122.03793	0.7
123.04531	1.7
123.08202	1.4
125.02446	1.9
125.06107	0.5
125.09750	5.1
126.10077	0.4
127.11310	0.9
133.06619	0.6
135.08206	1.7
136.05284	0.8
137.02435	0.3
137.09775	0.6
141.02090	0.3
142.02760	0.9
143.10823	0.9
145.10248	0.4
149.09764	0.5
151.11334	0.9
155.10835	0.8
161.04605	1.2
161.09712	2.5
163.11313	6.1
165.09230	0.5
165.12895	0.3
167.10811	0.5
169.12439	0.5
171.10291	11.4
172.10732	0.5
177.09283	1.1
179.10793	4.2
180.11024	0.3
181.12308	1.6
185.11871	2.0
187.09773	1.1
189.09267	0.6
191.05612	0.4
191.10811	1.0
195.10379	0.8
195.13951	0.7
196.00932	0.3
197.11813	2.7
199.09723	1.1
201.11337	5.9
202.11766	0.6
205.08727	4.7
207.10271	17.5
208.10600	1.5
209.11847	9.4
209.13748	0.6
210.12202	1.4
211.13490	2.7
212.13858	0.8
213.09431	0.3
213.11229	1.8
215.12944	0.7
221.11826	0.5
223.09766	8.6
223.11797	0.6
224.10139	0.7
225.11319	8.5
226.11914	0.7
227.12914	1.9
235.08296	1.2
239.12871	11.0
240.13245	0.9
241.10829	1.3
241.14442	0.4
243.12433	0.5
253.09312	5.6
254.09662	0.5
271.15555	0.8
273.17059	29.7
274.17361	2.2
287.16562	0.9
289.07339	0.6
293.21274	0.8
397.13528	0.9
415.14581	0.7
441.17801	0.5
446.10760	0.3
449.73990	0.4
459.19016	1.0
461.20517	1.5
477.20129	0.5
480.26468	0.3
635.89026	0.4
715.36096	0.8
733.37317	1.1
751.32770	1.6
752.32153	0.8
775.21271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46568	0.2
57.03449	0.1
59.01387	0.3
59.69398	0.1
61.98821	0.2
65.32581	0.1
71.01389	1.4
73.02953	0.5
81.03459	0.3
83.01376	0.3
85.02966	0.9
91.01898	0.3
91.05550	0.7
99.00912	0.3
101.02469	0.6
106.10233	0.1
106.87061	0.1
107.05039	0.3
107.08681	4.2
108.08958	0.2
109.06614	4.9
110.06902	0.1
111.62402	0.1
113.02473	0.6
119.05041	0.5
121.02896	0.1
121.37283	0.1
125.02479	0.6
128.38560	0.1
133.06610	0.6
135.04424	0.1
136.05287	0.2
137.02464	0.3
138.62672	0.1
150.06885	0.2
151.07671	100.0
152.08009	5.4
161.32532	0.1
163.04063	0.5
167.03531	0.2
175.04033	0.2
177.05592	8.0
178.05925	0.7
179.03568	0.1
191.05640	0.9
193.08778	0.5
194.05844	0.2
195.06651	3.4
196.06963	0.3
199.04063	0.2
217.05000	0.2
237.07820	0.3
243.02975	0.8
261.04031	1.3
281.04373	0.1
285.03979	0.2
289.07397	0.1
357.11923	85.1
358.12274	9.0
362.53418	0.1
389.48672	0.1
393.08279	0.5
398.38177	0.1
407.07419	0.2
485.88745	0.1
589.10596	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01368	1.4
60.28774	0.4
60.99300	0.9
61.60875	0.4
61.98838	0.6
63.02393	2.8
65.00327	4.6
65.67181	0.4
67.01899	4.1
69.03435	1.4
71.01384	2.6
71.71478	1.0
72.53576	0.5
73.02930	0.5
75.42490	0.5
80.19562	0.4
81.03439	1.3
83.01387	3.6
83.05016	1.4
84.60757	0.6
85.02959	2.5
87.00878	5.4
93.03468	32.7
94.03786	1.3
97.06593	1.3
99.00851	0.9
99.04507	0.6
106.04229	0.6
107.00687	0.7
107.01398	9.2
108.02182	0.5
109.02953	2.1
111.04529	6.2
113.27618	0.5
114.95052	0.4
121.02970	9.1
124.01633	0.9
125.02414	1.4
127.04000	0.9
127.92915	0.4
129.01938	0.6
132.02153	0.5
133.02969	6.2
134.03761	41.5
135.04579	9.3
137.02481	3.9
139.04008	1.2
145.02951	1.7
149.02429	3.8
150.03204	0.8
151.00394	35.6
151.04004	1.5
152.00710	1.2
155.03554	4.0
160.01715	2.3
161.02461	9.2
162.03247	38.5
163.00407	0.9
163.03650	1.8
164.01149	1.0
165.02011	0.6
169.01509	2.6
173.03076	1.0
173.04562	18.9
174.04820	0.8
177.01958	4.4
178.02692	4.6
178.99873	16.0
179.03470	2.5
191.05637	26.0
192.05957	1.3
193.01372	0.9
201.05574	0.6
209.11833	0.6
211.04088	0.5
216.33012	0.5
222.70207	0.5
227.03569	0.6
231.10258	2.8
245.04538	1.2
257.08118	2.0
266.54608	0.5
269.04556	0.6
273.04074	2.3
275.09235	100.0
276.09592	8.4
299.02032	1.1
301.03537	92.9
302.03882	8.9
308.09058	0.7
351.07071	1.8
352.07797	2.8
412.87338	0.5
448.07697	0.6
449.14539	88.8
450.14828	13.4
450.20795	0.9
473.18289	0.5
576.33539	0.5
770.02295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
59.25631	0.1
61.98830	100.0
62.06418	0.1
62.98527	0.2
70.59843	0.1
70.74161	0.1
71.01389	0.6
72.99328	0.1
73.02948	0.1
75.00867	0.0
80.96510	0.1
85.02966	0.1
87.00921	0.1
88.98828	0.1
89.02457	0.3
101.02471	0.3
105.01966	0.3
113.02445	0.1
119.03577	0.1
123.19765	0.1
125.02477	0.2
127.24868	0.1
134.31848	0.1
146.27306	0.1
161.04533	0.1
171.10384	0.1
195.13855	0.3
197.11891	0.1
207.10356	0.2
209.11804	0.6
210.12219	0.2
211.13423	0.3
212.13805	0.2
223.13411	0.2
225.11453	0.1
227.12823	0.1
235.08258	0.1
247.62201	0.1
253.09271	0.1
275.20166	0.1
293.21216	2.7
397.13477	0.8
403.32861	0.1
415.14612	1.0
416.67838	0.1
441.20544	0.1
492.01355	0.1
584.23566	0.1
589.43335	0.1
640.34436	0.1
691.36407	0.1
751.33344	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	749.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98825	2.0
63.96236	1.6
69.62857	2.5
69.63284	3.2
71.01382	6.4
73.02961	1.6
78.98598	6.3
79.95750	12.5
80.96526	74.6
81.03437	0.9
85.02965	3.1
87.00897	3.5
94.98097	15.1
96.96054	2.0
97.02955	1.2
98.20713	0.9
99.00906	1.3
100.41733	0.7
101.02438	2.7
106.98112	2.9
122.97625	4.3
125.02459	2.8
127.04057	0.8
130.72639	0.7
133.36708	0.6
134.97612	5.4
136.99220	1.0
148.99147	7.1
152.98642	5.7
164.98659	12.4
169.07307	0.8
206.99643	2.5
211.13342	1.6
225.00754	19.5
226.01042	0.8
235.09758	6.4
236.10332	1.2
255.23262	2.4
373.20352	0.9
443.27930	6.5
444.28299	1.3
493.17563	4.5
537.27313	1.2
665.45233	1.0
740.52466	0.8
749.41803	100.0
750.42151	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	749.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.9
59.01370	2.0
69.78998	0.3
71.01383	1.0
71.70873	0.6
83.01356	0.4
85.02956	0.7
89.02449	0.5
96.67699	0.3
98.78408	0.4
99.04568	0.6
101.02439	1.9
102.97006	0.3
113.02509	0.4
121.02988	0.7
123.04542	56.4
124.04863	2.4
125.02467	1.6
137.02478	0.5
151.04028	0.7
153.05595	100.0
154.05916	5.3
160.12302	0.4
161.02483	0.6
173.08267	0.5
191.05629	1.0
195.06631	0.7
197.04601	0.6
207.60597	0.4
245.04512	0.9
267.07462	0.6
269.79013	0.4
289.07230	2.0
297.09891	0.7
315.10855	38.3
316.11209	3.6
319.13989	1.7
357.11896	10.0
358.12189	0.9
363.12973	0.8
363.16916	0.4
397.14941	1.5
421.07782	0.8
459.15088	21.9
460.15405	3.1
498.50232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01381	5.0
60.99305	1.8
61.98834	51.2
67.60811	0.4
69.03445	0.5
69.04794	0.3
71.01392	6.0
71.71803	0.5
72.99308	2.1
73.02950	1.3
75.00880	1.4
78.91908	0.4
79.95749	1.1
80.02711	0.8
80.96527	1.3
81.03473	1.2
83.01397	0.5
83.05039	3.8
84.02196	0.5
85.02976	1.0
87.00904	0.7
88.98817	10.8
89.02471	2.8
92.48680	0.3
93.03509	0.7
95.05054	1.1
97.02971	0.5
97.06590	0.4
101.02460	3.4
109.06615	0.5
111.04534	0.4
113.02463	1.4
113.83331	0.3
116.92885	0.8
119.03538	0.7
125.02457	1.1
125.09727	0.7
125.97912	0.3
127.11286	0.3
134.97594	0.4
135.08144	0.7
151.04068	0.4
161.04639	1.5
161.05782	0.4
163.11282	3.6
165.12860	2.2
167.14389	0.7
171.10292	1.3
173.04584	0.8
179.05624	0.8
181.12268	0.5
183.13936	5.4
185.11864	0.3
191.03429	0.4
191.05565	0.4
191.10834	0.8
193.12286	1.5
197.11804	1.2
199.13435	0.5
204.97687	0.3
205.05034	0.5
207.10333	1.5
209.11845	100.0
210.12190	7.1
211.13408	94.7
211.94316	0.4
212.13751	7.1
219.02934	0.4
225.11278	0.9
227.12897	15.6
228.13287	1.2
235.08214	3.5
235.13354	0.5
237.14940	0.8
253.06667	0.4
253.09305	8.1
254.09827	0.4
273.16870	0.4
291.19681	2.9
292.19916	0.5
371.94205	0.4
397.13687	2.1
403.24963	0.5
415.14536	1.1
428.99710	0.3
429.21332	1.2
445.20694	4.7
446.21054	0.7
447.22354	7.8
447.28589	0.4
448.22940	1.6
621.32935	1.4
622.33496	0.4
639.33917	2.1
640.33972	0.5
657.35120	0.4
689.33905	1.1
731.29340	0.5
749.30420	0.7
749.42786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
59.71767	0.1
61.98833	0.5
62.04510	0.1
63.02078	0.1
63.02394	1.1
64.24377	0.1
65.00317	1.1
70.87630	0.3
73.80537	0.1
79.01881	0.2
83.01363	0.6
85.02948	0.1
85.37170	0.1
88.98804	0.1
89.00343	0.2
89.02489	0.1
91.01906	0.2
95.01380	0.1
104.87382	0.1
105.03452	0.1
107.01402	1.7
108.02217	0.1
109.02964	1.2
115.05536	0.3
117.20029	0.1
119.01392	0.2
121.02982	0.2
123.00919	0.1
123.04583	0.2
125.02439	0.5
127.05499	0.1
131.05031	0.3
133.02016	0.2
133.02969	2.1
134.03323	0.1
135.00897	0.3
139.04031	0.2
143.05045	1.1
145.02946	0.4
145.06578	0.1
147.00870	0.4
147.04552	0.4
149.02461	0.3
150.03207	0.1
151.00388	2.8
151.04022	0.3
152.01106	0.2
155.05038	0.6
157.02991	0.8
159.04514	0.3
161.02440	0.3
161.06114	0.1
163.00383	0.1
163.04092	0.1
163.91257	0.1
167.03482	0.1
169.01439	0.3
169.02901	0.2
171.04539	2.5
171.10272	0.2
172.04831	0.1
173.02469	0.6
174.03250	0.1
175.04030	1.6
176.60104	0.1
178.99873	0.3
182.03735	0.2
183.04541	0.6
185.02429	0.2
187.03992	1.7
189.01993	0.1
189.05560	0.3
191.03621	0.2
191.05666	0.3
197.02524	0.5
198.03221	0.6
199.04019	6.5
200.04375	0.5
201.01971	2.0
201.11314	0.1
202.02348	0.1
203.03534	0.6
205.05040	0.1
207.10266	0.1
209.11781	0.6
211.04012	0.4
213.01938	0.3
214.02675	0.4
215.03513	3.2
216.03900	0.3
225.01898	0.2
225.11270	0.2
226.02719	1.1
227.03508	3.5
228.03830	0.3
229.01410	0.2
229.05051	0.1
239.03525	0.1
241.01463	0.1
242.02208	0.7
243.02974	3.9
244.03351	0.5
254.02184	0.1
255.02983	2.2
255.05669	0.1
256.03387	0.2
271.02466	43.7
272.02817	3.7
272.05807	0.1
281.00861	0.1
282.01627	0.5
283.02396	0.3
284.03326	0.1
285.03976	0.5
289.07474	0.1
298.01166	0.1
299.01978	100.0
300.02362	10.7
301.03430	0.5
303.04730	0.1
346.78012	0.1
419.09863	0.4
447.09351	4.0
448.09790	0.5
449.10632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
59.01369	0.2
60.99301	0.1
61.98832	100.0
62.98530	0.1
62.99267	0.1
68.21040	0.1
71.01394	0.2
71.72060	0.1
72.65282	0.1
72.99313	0.2
75.00892	0.3
80.96525	0.1
88.41344	0.1
88.98824	0.6
89.02467	0.1
93.03448	0.1
94.91634	0.1
101.02465	0.2
109.06616	0.2
116.92878	0.2
124.01676	0.1
125.02474	0.2
137.02588	0.1
151.04015	0.2
159.10226	0.1
161.02524	0.2
163.11411	0.1
165.02003	0.1
171.10252	0.4
172.10559	0.1
173.04555	0.2
177.01999	0.2
191.03500	0.1
197.11823	0.2
207.10252	0.4
209.11790	0.5
211.13394	0.6
212.13890	0.1
223.13400	0.2
224.13640	0.1
225.11299	0.2
227.12915	0.1
241.14531	0.2
245.11870	0.2
246.12271	0.1
253.09351	0.2
259.13470	0.1
286.96060	0.1
289.07162	0.1
325.58118	0.1
442.99347	0.1
459.88248	0.1
604.25305	0.2
638.32990	0.2
646.25848	0.2
656.34131	0.1
748.29797	0.1
748.42438	0.1
749.34802	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	747.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.1
59.01122	0.1
59.01366	0.6
67.01880	0.2
69.03456	0.2
71.01379	0.6
73.02942	0.2
81.03475	0.2
83.05039	0.2
85.02440	0.3
85.02957	5.3
87.00889	0.9
89.90308	0.1
91.27773	0.1
93.03465	2.0
97.02924	0.1
97.24543	0.1
98.19817	0.2
99.00850	0.1
99.04511	0.2
109.02963	0.6
111.04528	0.9
113.02479	0.1
120.23433	0.1
127.04019	1.6
133.02959	0.7
135.04587	1.0
137.02412	0.1
151.00348	0.1
155.03462	0.2
161.02457	1.8
171.03021	0.4
173.04617	0.9
175.03909	0.2
177.01938	0.1
179.03508	0.8
191.05623	100.0
192.05963	4.2
199.04007	0.4
229.69264	0.2
243.01082	0.1
243.03012	1.2
261.04062	2.2
262.04166	0.1
351.07117	0.2
352.07489	0.2
353.08780	15.6
354.09091	1.7
355.10870	0.1
393.08163	0.6
593.79596	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	747.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.1
57.60624	0.1
59.01369	0.8
60.99308	0.2
61.98834	0.9
67.01891	0.3
69.03461	0.2
69.64401	1.0
71.01389	0.7
73.02940	0.2
73.62411	0.1
81.03452	0.1
83.05029	0.2
85.02959	5.4
87.00882	1.3
93.03471	2.4
99.04491	0.2
105.03491	0.2
109.02962	0.6
111.00880	0.2
111.04530	0.9
113.02436	0.1
123.04511	0.2
125.02477	0.3
127.04018	1.6
129.01964	0.4
133.02975	1.9
134.03351	0.2
135.03528	0.1
135.04526	2.3
136.04851	0.2
137.02455	0.2
151.00395	0.2
155.03500	0.2
161.02454	1.8
162.02666	0.1
167.03529	0.4
171.02988	0.4
173.04578	1.7
175.03862	0.1
177.01941	0.3
178.02336	0.2
179.03520	2.2
180.03920	0.1
185.40338	0.1
191.05624	100.0
192.05972	4.4
215.05627	0.2
243.02924	0.6
261.03967	1.4
262.04465	0.1
297.13394	0.2
299.68622	0.1
303.64133	0.1
307.14197	0.1
351.07248	0.6
352.07639	0.4
353.08783	21.5
354.09088	2.1
393.08313	0.5
400.05170	0.1
529.31635	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	747.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07456	0.9
63.96241	1.7
71.01384	11.0
71.72283	1.6
73.02939	1.7
75.42490	0.8
78.95918	0.8
78.98588	8.6
79.95325	1.3
79.95748	14.4
80.96523	91.8
81.03497	1.2
81.50903	0.8
85.02952	3.2
87.00880	4.1
87.16470	0.8
89.24480	0.8
93.97234	1.1
94.98093	20.2
96.95998	1.9
97.02969	1.7
99.00909	1.5
101.02438	2.8
106.98085	4.8
122.97588	3.8
125.02455	4.0
131.27805	0.9
134.97589	6.6
136.99153	1.4
148.99155	7.5
150.93248	1.1
152.98636	7.7
164.98660	15.9
197.89575	1.0
206.99721	4.1
209.11826	2.1
225.00763	23.7
226.01057	1.0
255.23282	2.2
255.25911	0.8
283.05060	1.0
491.15909	3.0
537.27716	1.5
747.40070	100.0
748.40570	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	747.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35695	0.3
57.03474	0.5
59.01364	1.5
61.98838	2.6
62.53095	0.3
65.00322	2.5
65.17667	0.4
69.12458	0.3
71.01382	1.3
71.72410	0.7
83.01384	1.2
87.00854	0.6
89.02441	0.8
93.03482	2.6
101.02442	0.9
105.03481	0.9
107.01405	5.9
109.02943	1.0
111.04478	0.4
113.02343	0.4
119.05052	2.2
120.99306	0.8
121.03029	0.7
123.04563	0.7
125.02454	1.6
133.02971	4.1
135.04608	1.8
143.03548	0.4
145.03000	0.4
149.02472	0.5
150.03244	2.1
151.00394	38.9
151.03909	0.8
152.00706	1.5
161.02429	1.3
162.02933	0.6
165.01959	1.0
165.05562	1.9
167.03545	0.4
169.01463	0.5
173.04562	1.1
177.01927	3.1
179.03497	0.5
191.05650	3.4
195.06602	2.9
199.03989	0.5
203.07030	0.5
203.97247	0.4
215.05592	1.8
229.05058	1.1
230.96049	24.4
231.96411	1.1
247.09715	0.6
269.04437	0.6
271.06128	3.8
272.06195	0.4
275.09229	1.4
297.13568	0.6
341.10522	0.5
351.01819	100.0
352.02133	10.8
389.17679	0.7
395.13528	1.4
537.21381	0.8
585.23395	1.1
603.20215	0.5
628.01752	0.4
747.28815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98824	0.6
63.02389	1.0
65.00006	0.1
65.00308	1.0
69.92726	0.6
71.01366	0.3
81.76684	0.1
83.01393	0.5
83.05012	0.1
86.04602	0.1
89.00325	0.2
91.01915	0.2
93.03452	0.1
96.96027	0.1
98.20536	0.2
101.02453	0.3
107.00780	0.1
107.01408	1.4
108.02209	0.2
109.02946	1.4
116.53032	0.1
117.03433	0.1
119.01392	0.2
121.02919	0.2
125.02405	0.3
127.05532	0.1
131.04996	0.3
133.02963	2.2
135.00876	0.4
136.88905	0.1
137.02432	0.2
139.04066	0.1
143.05048	1.1
145.02957	0.3
145.06575	0.2
147.00888	0.3
147.04523	0.4
149.02481	0.3
151.00377	1.9
151.04033	0.2
155.05035	0.5
157.02957	0.8
159.04462	0.2
161.02443	0.4
161.04622	0.1
161.06071	0.1
163.00319	0.2
164.94025	0.1
169.01485	0.2
170.03716	0.1
171.04535	2.4
171.10333	0.2
173.02417	0.4
175.04022	1.4
178.99863	0.3
182.03622	0.2
183.04535	0.7
185.02426	0.4
186.03116	0.1
187.04004	1.4
188.04460	0.2
189.01889	0.2
189.05551	0.2
191.05623	0.6
197.02557	0.6
198.03232	0.9
199.04019	6.5
200.04309	0.4
201.01956	1.8
203.03447	0.5
209.08353	0.2
209.11865	1.5
210.12172	0.5
211.03957	0.2
213.01852	0.2
214.02713	0.4
215.03500	2.5
216.03737	0.1
223.09766	0.2
225.01895	0.3
226.02684	0.9
227.03484	3.7
227.12927	0.2
228.03944	0.2
229.01401	0.2
231.03038	0.1
241.01442	0.5
242.02180	0.7
243.02974	4.4
244.03267	0.2
245.00876	0.2
255.02962	1.8
270.01678	0.5
271.02460	44.2
272.02798	3.6
282.01608	0.6
289.21692	0.3
298.01141	0.3
299.01974	100.0
300.02374	11.3
301.03442	1.3
384.39578	0.1
445.07761	1.1
446.07742	0.1
447.09335	1.4
669.31989	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	745.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51510	0.4
57.03456	0.5
59.01379	15.6
61.98835	3.0
69.03477	1.6
71.01389	3.7
71.05043	1.0
72.34222	0.4
73.02970	0.7
78.95930	1.3
83.01435	0.4
83.05070	0.9
85.02994	1.1
87.00890	1.0
89.02463	2.3
91.04091	0.5
99.00953	0.5
100.37415	0.5
101.02464	2.6
113.02473	1.7
116.92899	1.7
125.02446	0.9
143.03510	0.5
143.63748	0.4
152.99611	0.7
159.10240	0.7
161.04564	1.4
165.12968	0.5
167.10843	2.6
167.14412	0.5
171.10335	1.0
177.12898	0.7
179.05692	1.0
179.10815	1.4
179.14442	2.6
180.14767	0.4
183.13905	6.8
191.05591	0.6
193.12335	1.1
195.13914	7.7
196.14293	0.5
205.12363	8.1
209.12000	0.8
211.13402	100.0
212.13756	6.2
223.13393	76.2
224.13733	5.4
235.08211	4.1
253.09248	7.4
255.23441	0.7
279.23315	0.6
289.07181	0.6
309.94604	0.5
399.25381	1.4
417.26270	1.4
429.21252	1.5
441.21350	3.2
447.22284	10.6
448.22476	1.6
459.22342	13.9
460.22687	2.1
583.31866	0.5
609.32776	1.2
635.34485	5.6
636.34430	1.0
653.35510	9.6
654.36157	2.2
682.25922	0.7
745.50140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10146	0.1
61.98837	0.9
69.80584	0.3
69.81010	0.3
79.01909	0.2
95.19862	0.1
99.67447	0.1
109.02961	0.2
111.04524	0.2
121.83541	0.1
124.01668	0.2
125.02459	0.6
129.02272	0.1
137.02484	0.3
150.06857	0.3
151.00352	0.2
151.07637	0.2
153.01968	2.3
154.02754	1.4
155.03296	0.1
163.03992	0.4
163.07637	0.2
165.12793	0.1
167.03471	0.1
177.05534	0.3
178.06383	0.8
179.07184	0.7
180.00659	1.5
180.07637	0.1
181.01454	2.2
181.05042	1.1
182.02234	9.3
183.02660	0.4
189.05562	0.1
191.03615	0.2
195.02962	0.2
195.06644	2.2
196.03699	0.1
196.06984	0.2
197.08186	0.2
203.07278	0.1
206.05844	1.0
207.06653	1.4
208.06960	0.1
209.04568	0.9
210.05016	0.2
223.04393	0.1
223.06133	4.6
224.06905	100.0
225.07430	9.6
226.07990	0.3
305.17520	0.2
337.90430	0.1
343.18994	0.7
361.20206	40.3
362.20529	5.1
471.12720	9.7
472.13068	1.3
510.16611	0.1
608.26074	10.5
609.26514	2.4
745.38855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.8
58.00611	0.4
59.01380	4.2
65.00301	0.5
66.39474	0.4
69.03458	0.6
69.96210	0.7
69.96622	1.7
72.99313	13.1
77.87537	0.4
79.05530	0.4
83.01410	0.4
83.05035	13.2
87.04536	0.4
93.07149	0.4
96.96021	0.4
103.00369	0.9
105.07122	0.6
107.01393	1.4
108.02193	0.8
109.02957	1.2
115.73631	0.4
120.21101	0.4
121.02956	1.1
123.04541	0.7
125.02520	0.5
133.10207	1.0
135.00873	1.0
145.10255	0.8
148.01715	0.6
151.00391	6.9
152.00726	0.4
157.10149	0.4
159.04422	0.6
161.09720	1.0
163.00391	1.7
163.11281	5.4
165.05527	0.5
175.11336	2.6
177.09193	0.9
178.99921	4.0
191.05629	0.9
205.08655	1.5
207.07010	0.5
207.10242	1.7
219.10213	0.4
226.02725	0.9
227.03415	0.8
229.05188	0.6
243.02974	4.8
245.04582	0.7
254.02164	1.2
255.02982	13.7
256.03430	1.4
270.98126	0.6
271.02469	31.1
272.02887	3.8
281.10300	67.7
282.10611	5.9
283.02472	0.7
299.02090	0.8
300.02750	66.0
301.03458	33.6
302.03879	2.7
413.14532	0.6
449.05109	0.4
463.08798	100.0
464.09155	13.8
464.15738	0.7
533.74170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20741	0.1
57.03444	0.4
58.51149	0.1
59.01378	0.4
61.98834	0.1
65.00334	0.5
67.01867	0.1
68.21706	0.1
69.56588	0.3
69.56993	0.6
71.01402	0.1
71.05029	0.1
77.74371	0.1
81.02978	0.2
81.03462	3.5
83.01379	0.7
85.02930	0.1
88.98779	0.1
89.02455	0.1
95.05038	0.3
97.02961	0.2
99.08158	0.8
101.06098	0.6
107.01418	0.4
107.05074	0.2
109.03008	0.2
113.02481	0.1
121.02985	0.1
121.06619	0.2
121.70515	0.1
123.08174	1.6
124.08640	0.1
125.02468	4.2
125.06096	3.2
126.02807	0.2
126.06432	0.2
132.05878	0.1
135.04568	0.1
136.05302	0.4
137.02495	0.2
137.06145	0.1
141.09230	0.5
146.40457	0.1
147.08171	0.8
149.02492	0.6
149.06107	0.2
150.06828	0.1
151.00415	0.9
152.01086	0.1
165.09224	19.2
166.09567	1.3
167.03561	0.8
167.07156	0.4
179.10788	0.2
191.05565	0.2
191.07166	1.3
205.08736	0.2
207.10307	0.1
209.08200	100.0
210.08530	7.2
221.08221	0.2
222.33049	0.1
223.09738	0.1
233.08150	0.7
251.09242	4.3
252.09636	0.5
269.06793	0.1
271.02640	0.2
281.10312	0.8
299.02078	0.5
353.12430	0.2
371.13470	18.6
372.13818	2.1
427.28812	0.1
476.28821	0.1
581.32501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01381	0.3
59.95775	0.1
61.98837	0.1
64.12658	0.1
65.00335	0.4
68.17291	0.1
69.61900	0.8
71.01376	0.2
81.03466	2.6
83.01401	0.7
85.02961	0.1
95.05089	0.1
97.02998	0.1
98.19869	0.2
99.08155	0.3
101.06103	0.3
107.01398	0.4
108.02213	0.1
109.02953	0.2
113.02481	0.1
121.02953	0.2
122.03757	1.3
123.04540	0.2
123.08179	1.3
125.02467	5.4
125.06095	2.3
126.02809	0.2
126.06432	0.1
137.02483	0.1
139.04021	0.2
141.09181	0.1
147.08220	0.1
149.02487	0.7
151.00407	1.1
161.02419	0.2
165.09229	20.8
166.09561	1.2
167.03529	0.2
167.07170	0.1
179.03445	0.1
191.05583	0.3
191.07161	0.9
192.07472	0.1
204.58208	0.1
205.08798	0.3
209.08203	100.0
210.08539	6.4
210.10066	0.1
233.08167	0.4
243.02916	0.2
251.09242	0.7
259.02368	0.2
271.02411	0.2
282.01566	0.1
299.02002	0.4
327.42682	0.1
371.13480	15.9
372.13812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
59.01374	7.3
61.98837	5.2
68.99872	0.6
71.01379	5.1
71.71355	0.8
73.02946	1.6
78.95898	1.4
81.03474	0.7
83.01379	1.0
83.05029	1.1
85.02950	1.4
86.00179	0.6
87.00872	1.7
89.02441	2.0
95.01388	0.6
95.05041	1.0
97.06605	4.9
99.00895	0.7
101.02444	4.5
109.06530	0.6
111.08173	4.4
113.02452	1.6
123.04508	0.9
123.08173	0.7
125.02454	1.0
125.09785	1.4
132.13733	0.6
133.10281	1.0
147.19040	0.7
149.09682	1.0
151.04091	0.8
151.11295	15.9
152.11684	0.6
152.99599	1.3
161.04520	1.8
167.10706	0.7
169.12360	60.5
170.12601	3.0
170.41280	0.6
171.10246	1.4
179.10767	0.8
181.12276	0.8
185.11839	2.8
188.81664	0.7
191.05655	0.8
195.10236	2.3
197.11836	24.3
198.12111	1.2
199.13469	1.4
200.13742	0.6
207.10382	1.0
209.11821	5.0
210.12077	0.8
211.13438	3.6
213.11296	9.4
214.11630	0.8
227.12878	1.7
235.08170	1.5
253.09325	3.2
263.20215	1.0
277.21799	2.0
291.19702	5.0
293.21066	0.6
294.21460	0.7
295.22522	0.8
309.20721	5.8
310.21198	0.7
327.21991	0.7
431.19296	2.8
435.13443	0.6
449.20151	2.8
472.02698	0.7
505.25668	2.2
596.82648	0.7
741.40808	100.0
742.41199	26.8
742.54608	1.1
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
59.01390	1.3
61.98827	1.0
65.98794	0.7
69.46099	0.6
71.51051	0.8
71.72359	1.5
78.95909	32.1
90.37334	0.7
96.21904	0.7
96.96970	3.2
99.69530	0.7
147.79523	0.7
152.99609	41.1
162.69133	0.7
171.00642	2.9
221.08113	1.1
227.03262	5.1
235.09581	1.0
244.60153	0.7
253.21722	30.4
254.22145	2.6
255.23274	2.3
277.21716	84.6
278.22058	8.2
279.23312	1.2
311.55844	0.9
413.20895	3.0
423.48746	0.9
429.26614	2.0
463.24570	1.1
487.24759	1.4
505.25708	100.0
506.25989	14.4
598.25226	0.9
741.47278	34.1
742.47913	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	743.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99761	0.2
55.01879	0.7
57.03447	1.0
58.00586	0.3
59.01083	0.4
59.01379	6.0
63.31113	0.2
67.01888	0.6
68.99812	0.8
69.03447	0.6
69.65448	1.5
70.00979	0.2
71.01389	8.0
71.74731	0.2
72.99315	1.9
73.02953	1.2
75.00880	7.0
81.03463	0.7
83.01389	0.7
83.05022	0.3
85.02959	8.7
86.03295	0.3
87.00372	0.3
87.00874	2.3
89.02448	1.2
91.01912	0.5
91.04025	0.3
91.05566	0.2
93.03498	0.9
95.01403	2.2
96.01675	0.2
97.03009	0.3
99.00894	4.4
101.02456	0.9
103.00398	0.7
109.02990	0.4
111.00901	0.8
113.02464	8.7
114.02832	0.3
115.00375	0.7
117.01939	1.2
121.02972	35.8
121.10251	3.8
122.03299	1.6
123.08186	6.7
124.08532	0.2
125.02433	0.2
129.01953	0.9
135.04556	0.4
136.05342	0.4
139.00398	0.3
147.08179	0.4
150.06850	0.3
157.01424	0.4
163.04045	0.3
165.09224	100.0
166.09567	5.8
175.02504	0.8
189.04126	0.3
191.03583	0.4
191.05594	1.8
191.07176	7.2
192.07529	0.3
193.93353	0.2
207.10301	0.3
209.08171	2.4
209.09732	0.2
231.05124	2.4
249.06155	22.3
250.06543	1.3
251.09299	0.3
309.05569	0.3
337.09332	0.4
337.15005	1.0
353.08832	0.7
371.09781	55.9
371.13599	71.3
372.10086	5.7
372.13959	7.2
437.14401	0.3
544.17737	0.2
655.83972	0.2
676.11414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.2
61.98815	0.2
71.01384	1.8
71.72230	0.2
73.02949	0.9
79.05531	0.3
81.03468	1.5
83.01379	0.5
85.02966	0.9
87.00882	0.2
89.02441	0.4
91.01904	0.9
95.01411	0.3
99.00851	0.3
101.02454	1.5
101.06084	0.3
113.02461	0.8
119.03510	0.2
121.10247	4.1
122.03720	1.4
122.10509	0.2
123.04551	0.3
123.08176	5.2
124.08480	0.2
125.02433	0.4
135.04486	0.1
137.02455	0.2
147.08180	0.6
161.04556	0.5
165.09224	100.0
166.08151	0.3
166.09554	5.5
167.03450	0.3
177.01830	0.3
179.10719	0.2
189.09198	0.3
191.05719	0.5
191.07155	11.7
192.07515	0.8
207.10320	0.5
208.07433	0.3
209.08199	5.4
210.08525	0.4
225.07675	0.4
225.14806	0.3
233.08270	0.2
251.09312	0.4
269.10281	0.8
301.03558	0.2
307.13794	0.2
311.11356	0.7
331.04553	0.2
371.13474	93.2
372.13815	9.9
387.12744	0.2
391.06717	0.3
401.18253	0.7
516.45001	0.2
656.83923	0.2
717.14581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01366	1.1
60.99320	0.8
63.17876	0.1
67.01892	2.9
69.03463	0.8
69.61914	0.7
69.62343	0.4
71.01389	1.4
73.02938	0.2
81.03457	0.8
83.05031	0.6
85.02961	3.8
85.03450	0.3
87.00887	4.4
93.03471	20.3
94.03784	0.9
98.20598	0.2
99.00882	0.4
99.04536	0.4
101.02442	0.2
109.02970	0.6
111.04535	3.3
113.02450	0.3
115.04050	0.2
117.03575	0.2
119.05046	7.4
120.05394	0.2
123.04523	0.2
125.02468	0.5
127.04017	1.2
129.01978	0.5
134.84526	0.2
135.04541	0.2
137.02467	0.6
145.02974	1.3
155.03528	1.0
163.04030	9.1
164.04372	0.5
171.02956	0.3
173.04575	12.0
174.04956	0.4
179.03627	0.1
191.05627	100.0
192.05972	4.2
202.17618	0.2
245.04625	0.2
261.04086	0.2
287.05746	0.2
289.07172	0.6
337.09299	41.2
338.09610	4.2
353.08859	1.0
393.08463	0.2
626.28552	0.2
703.81750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.1
59.01370	0.6
60.88739	0.1
60.99288	0.1
65.33007	0.1
67.01888	0.4
69.85514	0.5
71.01380	0.4
73.02952	0.2
77.34621	0.1
80.18183	0.1
81.03467	0.2
83.05019	0.2
85.02959	5.1
87.00890	1.2
93.02920	0.2
93.03467	2.8
98.19932	0.2
99.00881	0.1
99.04536	0.1
107.50288	0.1
109.02966	0.4
111.04508	1.1
117.03453	0.3
119.05027	1.2
123.04562	0.1
125.02483	0.3
125.14182	0.1
127.04027	1.6
129.02023	0.1
137.02464	0.3
138.05635	0.9
145.02985	0.9
155.03532	0.2
155.31380	0.1
161.02435	0.2
163.04013	1.9
163.38181	0.1
164.04468	0.1
171.03012	0.3
173.04555	1.5
177.01936	0.5
178.02310	0.2
191.05624	100.0
192.05971	4.7
261.04013	0.2
289.07166	0.3
290.07703	0.2
305.11426	0.5
337.09290	31.4
338.09598	3.1
394.14618	0.1
399.12793	0.2
435.16455	0.1
482.86627	0.1
571.87805	0.1
577.52045	0.1
589.12988	0.1
741.17566	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
53.54103	1.0
57.03406	1.3
58.00609	1.1
58.94620	1.1
59.01376	13.9
61.98814	4.3
64.17333	1.0
69.52377	8.9
69.52789	2.5
71.01382	10.7
71.05024	2.7
73.02946	2.0
78.95892	1.3
81.32441	1.1
83.01359	1.3
83.05031	1.6
85.02950	2.5
87.00888	1.2
89.02444	3.5
91.04022	1.3
94.20847	1.0
95.05029	1.6
97.02968	3.0
97.06594	1.9
99.00872	12.0
101.02451	7.7
109.06572	1.4
110.03784	1.3
111.08145	2.2
113.02451	3.9
113.24353	1.0
119.03460	1.6
123.08169	1.8
125.09727	5.1
127.11324	1.2
135.08163	1.3
135.11086	1.2
140.73209	1.2
142.02638	1.2
145.05116	1.3
152.99561	1.7
161.04526	2.0
163.11284	7.9
171.10277	29.9
172.10664	1.7
179.10831	1.3
181.12363	10.3
183.13940	1.8
185.11905	1.7
187.87852	1.1
195.13869	3.7
195.65677	1.2
199.13416	16.0
201.11391	1.6
207.08318	1.8
207.10260	28.3
208.10623	2.0
209.11780	3.2
211.13387	21.2
212.13669	1.3
223.09622	1.1
225.11307	48.9
226.11726	3.1
227.12881	9.0
235.08247	4.3
243.12411	5.8
253.09276	14.5
254.09485	1.6
275.20261	2.6
277.21710	100.0
278.01553	1.1
278.22043	10.2
279.23288	2.0
291.19659	24.2
292.20108	3.0
293.21198	22.7
294.21585	1.8
443.18924	2.7
461.20242	6.2
721.41351	7.2
722.41620	1.6
739.42859	93.9
740.43243	24.1
758.30542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
54.51357	0.5
55.01881	0.6
57.03429	0.7
58.00578	0.6
58.43260	0.4
59.01381	6.8
61.98819	2.1
68.99832	0.4
69.03448	0.7
70.30193	0.8
70.30605	1.8
71.01387	70.9
71.05016	0.4
72.01720	1.6
72.99320	0.5
73.02948	2.8
73.70079	0.4
73.73029	0.4
78.95908	1.1
80.02639	0.5
81.03436	0.7
82.78035	0.4
83.01374	0.7
83.05031	1.5
85.02972	2.3
87.00880	2.3
89.02440	2.2
91.04040	0.5
95.01425	1.0
95.05029	0.8
97.02954	3.4
97.06594	0.8
98.19817	0.4
99.00907	1.8
101.02443	4.7
109.06609	11.9
111.00874	0.7
113.02460	2.7
119.03522	0.5
121.06627	0.7
125.06107	0.5
125.09745	1.3
127.07620	0.4
127.11312	0.8
133.05034	0.5
135.08203	1.4
136.05295	0.4
139.07690	0.6
142.02737	1.3
143.03490	0.6
145.05098	1.4
152.99554	0.5
155.10818	1.0
161.04575	2.2
161.09750	0.8
163.11310	7.7
171.10277	11.9
172.10608	0.8
179.10785	0.5
181.12384	2.8
185.11819	1.9
189.09230	1.5
197.11845	0.8
199.09689	1.0
199.13408	1.1
201.11324	8.2
207.10281	34.4
208.10735	2.7
209.11891	1.0
211.13377	0.6
215.12929	1.4
225.11327	19.3
226.11642	1.2
235.08240	5.4
243.12279	2.4
253.09271	8.9
254.09618	0.8
277.21732	100.0
278.22070	11.5
279.23367	0.9
295.10303	0.7
299.15051	0.8
306.16150	0.5
397.61307	0.4
443.19177	2.0
461.20319	5.1
462.20447	0.7
485.32986	0.6
721.42059	6.7
722.17639	0.5
722.42719	2.5
739.42462	5.3
740.43018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44959	0.1
51.75396	0.1
52.96123	0.1
53.14861	0.1
55.01873	0.2
57.03444	0.4
58.00592	0.2
59.01380	4.2
61.98827	0.5
63.62427	0.2
63.63857	0.1
69.03464	0.2
70.03518	0.8
71.01389	3.0
71.05019	0.2
72.99332	0.2
73.02935	0.7
75.00887	0.2
80.02679	1.0
81.03449	0.9
83.01406	0.7
83.05029	4.0
84.02184	0.7
85.02974	0.9
87.00890	0.7
89.02457	2.0
95.01379	0.3
95.05040	0.6
96.96017	0.2
97.02934	0.3
97.06596	0.2
101.02458	3.1
109.06612	0.2
111.08175	0.4
113.02463	1.5
119.03527	0.8
121.10255	0.6
125.02464	0.3
125.06095	0.4
125.09732	0.2
133.05092	0.2
135.08197	0.6
143.03619	0.2
145.05119	0.3
147.11845	0.2
153.09335	0.2
161.04570	1.2
163.11299	2.8
164.11667	0.2
165.12883	2.3
167.10786	0.3
171.10289	2.2
179.05617	0.6
179.14445	0.6
181.12390	0.5
183.13947	0.5
185.11874	0.2
191.09186	0.1
191.10735	0.8
195.13910	7.2
196.14558	0.7
197.11870	0.2
199.13347	0.2
205.12354	0.5
205.16060	0.4
209.11839	100.0
210.12175	7.1
211.13380	1.8
223.13399	4.4
224.13774	0.5
227.12894	12.1
228.13313	1.2
231.21225	0.5
235.08232	2.2
235.17046	0.4
253.09282	16.6
254.09570	1.1
256.13098	0.7
265.21564	0.4
275.20166	8.6
276.20438	0.9
288.82666	0.2
289.07364	0.2
291.19733	0.3
293.21216	79.7
294.21558	8.7
294.24963	0.2
309.20584	0.3
445.20786	1.1
446.21216	0.2
463.21802	0.2
485.32883	0.5
492.22119	0.4
503.33643	0.4
519.07721	0.2
529.30121	0.9
574.18048	0.2
670.35736	0.3
739.41272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1691
Annotation	Cinchonanin IIa
Peak:m/z	Relative Intensity
57.03453	1.5
57.85252	0.4
65.03960	0.4
67.01887	0.5
69.03486	0.5
70.09528	2.0
79.11893	0.3
81.03475	1.4
83.01388	3.2
85.02971	0.9
89.03974	3.0
91.01904	0.6
93.03463	2.3
95.01405	0.6
95.05041	1.6
97.02971	3.1
105.03445	0.6
107.01410	0.3
107.05066	0.5
108.02181	0.9
109.02971	25.1
110.03345	0.4
117.03497	1.1
119.05074	0.5
121.02975	2.4
122.03767	1.1
123.04542	11.2
125.01507	0.5
125.02464	14.7
133.02972	11.4
135.04524	2.0
137.02463	19.0
138.02754	0.7
139.04016	2.4
143.05046	0.4
145.02960	1.0
146.03781	0.9
147.04529	1.2
148.01698	0.5
149.02446	3.4
150.03253	3.2
151.04028	8.9
151.05238	0.6
157.06625	0.4
159.04509	2.6
160.05255	1.4
161.02467	23.3
161.06099	3.6
162.03085	1.5
163.00395	1.2
163.04024	1.8
164.01157	1.9
165.01952	2.5
165.09293	0.6
167.03455	1.0
168.03682	0.4
173.06082	0.5
174.03166	0.7
175.04004	3.5
175.07651	1.6
176.01157	1.4
177.01949	100.0
178.02293	4.2
179.03516	4.1
182.14551	0.4
183.04631	0.4
185.02446	0.6
185.06146	0.7
187.04004	3.2
188.04794	3.2
189.01978	8.5
190.02541	0.7
191.03761	0.7
191.05624	9.2
192.05858	0.5
196.05423	0.4
197.06166	0.4
199.04143	0.5
199.07675	0.5
201.01921	1.2
201.05553	2.1
202.06360	1.5
203.03555	4.0
203.07146	8.1
205.01439	2.3
205.05051	5.0
209.06105	0.7
211.04015	1.0
212.04657	0.5
213.05582	1.0
214.02676	0.4
215.03481	2.6
215.07060	0.6
216.00694	3.9
216.03889	0.5
217.01413	5.6
217.04913	0.5
217.08641	0.6
219.03014	0.4
221.08101	2.1
225.05708	0.4
227.03532	5.8
227.07097	1.7
228.03917	0.6
229.01399	4.7
229.04948	0.9
231.02916	1.0
237.05505	0.5
239.03487	1.7
240.04094	0.7
241.05040	0.8
243.02908	0.7
243.06549	0.7
245.04573	2.3
245.08205	10.5
246.08363	0.8
247.06093	1.0
249.05502	0.9
253.05070	1.0
255.02966	1.3
255.06586	1.7
257.04483	1.3
261.07672	0.4
267.06622	0.5
269.04550	1.3
271.02463	0.4
271.06177	1.7
277.05133	0.6
279.02905	0.8
280.03769	0.7
281.04556	2.7
283.06104	1.2
285.03867	0.5
287.05637	8.2
288.06042	0.5
289.07175	44.7
290.07407	4.0
293.04428	1.1
294.04941	0.5
295.02835	0.5
295.06134	1.2
297.04160	1.8
298.04355	0.5
299.05524	2.3
307.02673	1.9
307.05615	0.4
308.03238	1.3
309.04013	0.7
311.05576	0.7
321.04074	4.7
323.73422	0.4
325.03503	3.0
327.05103	0.6
329.06650	0.7
337.03555	0.7
337.07199	1.6
339.05093	26.7
340.05460	3.0
341.06589	1.3
363.04971	0.4
373.73105	0.4
391.08200	1.0
407.07550	1.2
409.09088	1.1
415.08008	0.8
417.06140	4.1
418.06183	0.5
431.07397	0.6
433.09250	1.5
435.07214	12.8
436.07373	1.7
449.08752	16.2
450.09177	2.4
451.10327	8.5
452.10715	1.3
459.07166	7.0
460.07214	0.9
477.08139	1.5
491.10178	0.4
547.15662	1.2
569.10870	8.0
570.10870	1.2
585.13855	0.8
587.12000	24.0
588.12299	4.7
611.11371	0.9
629.13373	2.0
677.16132	0.5
721.15668	1.2
739.16656	19.5
740.17065	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	738.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.1
57.09405	0.1
59.01371	0.2
61.98832	100.0
62.98533	0.1
62.99240	0.1
63.99257	0.1
65.06407	0.1
66.02902	0.1
70.55276	0.2
71.01395	0.4
73.02954	0.1
78.95927	0.2
78.98602	0.1
79.95731	0.6
80.96525	1.4
82.96108	0.1
85.02965	0.1
87.00909	0.1
89.02482	0.1
94.98105	0.3
96.96027	0.2
96.97012	0.1
101.02463	0.1
102.61309	0.1
113.02479	0.1
125.02473	0.6
134.97586	0.1
137.02492	0.2
148.99141	0.1
151.04004	0.1
152.98718	0.1
161.02470	0.1
164.98694	0.2
171.10332	0.2
177.02005	0.1
185.11855	0.1
191.05655	0.3
194.14438	0.1
197.11830	0.6
198.12286	0.2
200.12657	0.1
206.99736	0.1
207.10381	0.2
209.11964	0.4
210.12299	0.2
211.13448	0.2
223.13338	0.2
225.00807	0.3
225.11310	0.1
289.07077	0.2
608.28674	0.2
642.63983	0.1
692.31085	0.2
720.30206	0.2
721.30737	0.1
738.30859	0.7
739.31952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35382	0.1
53.67733	0.1
59.01375	0.3
59.88263	0.1
61.98830	100.0
62.98539	0.2
63.99262	0.1
71.01392	0.2
72.01720	0.1
79.95747	0.2
80.91708	0.1
80.96523	0.5
83.01397	0.1
83.05024	0.1
92.62292	0.1
94.98119	0.1
96.96044	0.1
125.02465	0.3
134.97534	0.1
137.02493	0.1
151.04004	0.1
152.98607	0.1
164.98613	0.1
171.10323	0.2
191.05759	0.2
197.11911	0.2
198.12256	0.1
207.10350	0.2
209.11896	0.5
210.12250	0.2
211.13387	0.1
225.00769	0.2
225.11508	0.1
239.12976	0.1
240.13214	0.1
273.17249	0.2
274.17435	0.2
275.17575	0.1
289.07294	0.1
293.87173	0.1
317.06750	0.1
319.49942	0.1
445.96036	0.1
671.32581	0.1
738.30591	0.4
739.32092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.2
58.02963	0.2
59.01376	0.8
60.99303	0.1
61.81473	0.1
67.01888	0.2
69.03444	0.2
70.02983	0.1
70.13348	0.5
71.01376	0.6
71.40632	0.1
73.02953	0.1
74.02482	0.8
79.49169	0.1
81.03471	0.2
82.80548	0.1
83.05023	0.2
85.02958	5.7
87.00881	1.2
93.03468	2.5
96.96006	0.2
98.02488	0.1
98.19885	0.1
99.00835	0.1
99.04526	0.3
107.05013	0.2
109.02972	0.7
111.04526	1.0
113.02446	0.1
116.03547	0.2
119.05041	0.3
121.02968	0.2
125.02472	0.2
127.04035	1.6
128.04329	0.1
129.02008	0.1
133.02980	0.7
134.03766	0.2
135.04546	2.3
137.02463	0.4
149.02434	0.2
151.03964	0.1
153.01903	0.1
155.03493	0.3
161.01244	0.2
161.02475	1.6
162.02748	0.1
163.04051	0.5
167.03513	0.2
170.40971	0.1
171.02994	0.5
173.04549	1.4
173.37029	0.1
177.01996	0.2
178.08792	0.3
179.03499	1.9
180.03798	0.2
180.06660	0.9
191.05629	100.0
192.05974	4.4
193.01445	0.2
213.16757	0.1
215.05708	0.1
222.07730	1.7
223.07974	0.1
351.07346	0.3
352.07462	0.2
353.08786	17.3
354.09122	2.0
384.13040	3.0
385.07938	0.2
385.12820	0.3
462.58875	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01321	0.1
59.01381	0.5
61.98832	100.0
62.98537	0.2
71.01385	0.2
83.05007	0.1
84.71988	0.1
85.02995	0.1
89.02466	0.3
101.02489	0.2
113.02460	0.1
125.02493	0.1
127.22839	0.1
134.61363	0.1
207.10257	0.1
209.11856	0.6
211.13422	0.1
225.11491	0.1
227.12947	0.2
253.09427	0.1
275.20123	0.1
277.21646	0.3
278.22107	0.3
279.22552	0.2
280.22757	0.1
291.19791	0.1
293.21280	0.4
302.70963	0.1
381.65338	0.1
397.13419	0.1
398.04053	0.1
398.14014	0.3
399.14038	0.3
400.14478	0.2
411.68848	0.1
416.14951	0.1
417.14816	0.1
418.15262	0.1
739.42737	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
52.72788	0.7
57.03437	1.3
59.01377	13.6
61.98822	3.9
69.03465	1.4
71.01389	7.3
71.72874	1.5
72.99306	1.2
73.02956	2.4
77.10688	0.6
78.95905	0.7
80.02689	1.9
81.03470	3.1
83.01403	1.2
83.05049	4.2
85.02972	3.2
87.00889	1.7
89.02461	4.0
95.01405	0.6
95.05052	1.3
97.02959	6.8
97.06628	1.0
99.00911	1.6
101.02458	7.3
107.05058	1.5
109.06606	34.9
110.03746	1.3
110.06945	1.5
111.08186	2.2
113.02440	3.5
119.03510	0.9
121.06628	1.8
123.04555	2.6
123.08221	0.8
125.02449	0.9
125.09738	1.2
129.01892	0.7
135.08173	4.1
136.05316	1.3
140.11446	0.8
142.02747	2.0
143.03514	0.8
161.04572	2.7
161.09737	2.2
163.11305	20.2
164.11653	0.9
171.10313	2.6
179.05586	0.8
179.10767	2.0
181.12393	4.8
189.09225	3.0
191.10829	0.8
195.13924	5.7
197.11848	0.9
199.13463	1.7
205.12389	1.0
207.10275	100.0
208.10561	6.3
209.11844	24.9
210.12137	2.0
211.13438	10.1
212.13762	0.9
223.13416	4.3
225.11327	38.9
226.11586	3.7
227.12921	9.2
228.13510	1.0
235.08226	7.2
238.08499	1.5
243.12401	1.2
253.09282	22.4
254.09596	1.3
273.18768	0.8
275.20132	6.8
277.21683	0.9
281.13974	1.0
289.18246	1.8
291.19653	21.1
292.19968	2.5
293.21228	78.5
294.21625	7.5
299.15079	1.1
307.15640	1.6
307.19193	1.9
341.06927	1.1
389.19751	2.0
443.19513	5.1
444.19754	1.0
445.21109	1.0
457.33154	1.4
461.20352	13.7
462.20569	1.2
463.21509	0.9
483.31226	1.6
527.28918	1.6
529.30115	1.5
563.22461	0.8
719.40057	2.9
737.41315	40.7
738.41528	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	737.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03452	1.5
59.01376	8.2
61.98830	2.2
66.45659	0.3
66.54882	0.3
69.03461	0.7
69.66935	1.4
69.67365	0.8
69.84352	0.2
71.01388	6.4
71.05028	0.5
72.99281	0.3
73.02961	0.8
80.02667	1.4
81.03444	1.4
83.01392	0.8
83.05032	5.4
84.02144	0.6
85.02956	1.7
87.00887	1.1
89.02458	3.7
91.66753	0.3
93.03455	0.5
95.01418	0.6
95.05054	1.7
97.02952	1.9
97.06581	0.4
98.20564	0.5
99.00911	0.5
101.02460	5.2
106.04230	0.3
107.05060	0.4
109.06604	8.4
110.03731	0.7
110.06902	0.4
111.00866	0.3
111.08176	8.4
111.52159	0.3
113.02476	2.3
113.09728	0.5
114.64654	0.3
119.03529	0.9
121.06608	0.6
121.10247	0.3
123.04540	1.3
123.08180	0.6
125.02470	0.4
125.06099	0.4
125.09719	0.5
129.01971	0.3
131.03528	0.4
133.05083	0.4
135.08221	1.7
136.05305	0.4
137.06227	0.3
137.09729	0.7
139.11440	0.4
141.09276	0.3
142.02655	0.6
142.98154	0.3
145.05067	0.8
149.09727	0.6
152.36371	0.2
153.09248	0.4
153.12883	0.4
161.04564	2.2
161.09775	0.6
163.11301	8.5
164.11662	0.6
165.12881	2.1
167.10818	1.9
171.10332	1.5
177.12842	1.7
179.05580	0.8
179.10793	1.6
179.14452	0.3
180.11333	0.3
181.12436	1.3
184.47774	0.3
189.09204	1.0
191.10753	0.9
195.13924	8.4
196.14302	0.6
197.11798	0.7
199.13351	0.4
203.14400	0.5
207.10274	24.8
208.10606	1.3
209.11839	84.2
210.12160	5.0
211.13318	1.3
221.11800	0.4
223.13316	2.1
225.11330	11.3
226.11554	0.8
227.12880	13.1
228.13283	1.0
235.08231	3.9
243.12495	0.3
247.20648	2.1
253.09274	15.9
254.09645	0.4
256.13074	0.4
260.35367	0.3
273.18573	1.5
275.20135	3.8
276.20544	0.3
291.19647	100.0
292.20007	9.8
293.21216	33.8
294.21603	3.1
299.14896	0.4
305.20575	0.4
309.20767	0.5
319.34308	0.3
329.21069	0.5
359.77997	0.3
443.19324	1.9
445.20639	0.9
461.20239	3.5
483.31293	0.6
509.27405	0.7
527.28583	7.7
528.28839	1.4
529.30133	0.5
719.40875	2.1
720.40607	0.6
737.41296	13.7
738.41608	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	737.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03446	0.6
59.01381	4.4
61.98832	2.1
69.03461	3.9
71.01386	5.5
71.05030	2.0
72.99313	0.4
73.02953	1.0
79.44924	0.4
80.96527	2.2
83.01396	0.9
83.05049	0.8
85.02943	1.2
87.00907	0.7
89.02437	2.4
94.98087	0.5
97.06625	0.7
101.02433	2.7
105.52876	0.4
108.57969	0.4
113.02477	1.9
119.03513	0.5
123.08164	0.8
125.09745	1.8
127.66796	0.4
136.21867	0.4
151.11308	1.5
153.12894	1.7
161.04561	1.0
161.09721	2.4
169.12357	1.1
179.10803	6.1
180.10999	0.5
190.92931	0.4
197.11842	79.8
198.12193	4.2
223.09738	1.6
240.23216	0.4
241.10817	3.2
253.09309	2.2
274.89014	0.4
277.21725	22.5
278.22086	2.7
343.19049	1.9
361.20160	2.6
375.21588	0.6
459.18579	0.9
477.19580	2.1
525.83344	0.5
635.85022	0.5
719.40869	0.4
737.41278	100.0
738.41589	24.4
738.55133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37331	0.2
59.01387	2.2
61.98833	48.0
62.98538	0.3
63.99247	0.3
69.67071	0.6
69.67501	0.9
69.97490	0.2
71.01388	2.2
72.99320	0.2
73.02962	0.5
79.95751	0.3
80.02689	0.7
80.96529	1.3
81.03478	0.9
83.01414	0.2
83.05034	3.8
84.02179	0.6
84.05408	0.2
85.02960	1.8
87.00905	0.7
89.02454	1.1
93.03498	0.8
94.98086	0.3
95.01387	0.3
95.05014	0.4
96.96043	0.2
97.02975	0.3
99.00908	0.4
101.02468	1.5
105.40811	0.2
109.02985	0.3
109.06585	0.2
111.04475	0.3
113.02479	0.9
116.92901	0.2
119.03541	0.2
120.21114	0.2
125.02489	0.5
125.06118	0.6
127.04030	0.3
135.08173	0.6
137.02408	0.2
161.04596	0.7
163.11322	3.1
164.11667	0.3
165.12860	1.9
169.12379	3.0
171.10295	1.7
173.04579	0.3
181.12373	0.7
183.13921	0.5
191.05635	12.0
191.10818	0.7
192.05946	0.5
197.11943	0.2
199.13475	0.2
207.10266	0.4
209.11842	100.0
210.12184	6.5
211.13435	0.3
213.11316	0.2
225.00758	0.5
225.11458	0.2
227.12889	14.8
228.13258	0.9
235.08215	2.1
236.55066	0.2
237.11342	0.4
242.05869	0.4
243.03082	0.3
247.13426	0.3
253.09265	4.7
254.09592	0.2
254.77319	0.2
255.02980	1.3
256.03632	0.4
259.15405	0.3
268.03806	0.5
269.04547	0.6
270.05215	0.3
273.17078	0.6
283.02524	0.4
285.04120	0.3
296.03256	0.9
297.03918	0.9
316.42526	0.2
325.03400	0.4
405.21371	0.3
407.07654	2.5
408.08182	0.3
445.20752	3.9
446.21179	0.4
447.07449	0.5
448.08054	0.7
457.15768	0.2
463.21777	0.3
468.73837	0.2
527.13190	0.2
637.32611	0.8
640.14038	1.5
641.14606	0.3
655.32990	0.3
659.33502	0.4
673.34564	0.2
705.33826	0.3
737.30383	1.5
738.31665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.30076	0.5
57.03433	1.3
58.00578	2.0
59.01380	30.1
61.98838	2.6
68.99835	0.4
69.03442	1.5
69.44386	2.4
69.44822	2.4
71.01388	34.3
71.05014	0.6
72.01746	0.7
72.99316	2.7
73.02954	5.3
81.03461	1.8
83.01404	3.9
83.05025	1.7
85.02959	6.5
87.00883	6.9
89.02451	23.3
91.03992	0.6
93.03452	0.6
93.61473	0.4
95.01389	1.9
95.05006	0.8
97.02959	6.0
99.00893	2.1
101.01781	1.1
101.02456	22.3
109.02953	1.0
109.06610	4.7
111.04536	1.4
111.08177	1.7
113.02461	12.5
119.03519	6.7
121.02915	0.7
123.04540	0.6
125.02469	10.5
125.09750	1.0
131.03479	0.7
133.05060	1.1
135.08185	0.9
137.02414	0.5
139.04027	0.9
143.03532	4.4
149.04523	0.5
151.03973	0.8
161.04562	5.0
163.11252	3.7
165.12810	0.5
167.03558	0.7
168.81432	0.4
169.05051	0.6
171.10245	1.5
179.05643	5.1
179.10788	0.9
181.12311	1.6
183.13866	0.9
185.11876	0.8
189.09346	0.5
191.05663	0.9
191.10886	0.5
193.64507	0.4
195.13878	2.0
199.06198	0.7
199.13319	0.7
207.10272	14.4
208.10550	1.2
209.11841	22.2
210.12132	1.7
211.13414	3.6
221.06664	1.2
223.13293	0.9
225.11337	9.2
227.12897	4.5
235.08244	12.5
235.16931	0.7
236.08653	0.8
243.12564	0.5
253.09305	7.8
263.07687	0.7
263.20187	0.7
273.18610	0.6
275.20145	1.9
277.09351	0.6
279.23282	78.5
280.23648	9.0
287.07703	3.5
291.19650	17.8
292.20032	1.9
293.21216	14.3
294.21497	1.3
305.08783	4.5
307.19186	1.4
323.09924	1.3
341.06784	0.7
397.13513	100.0
398.13840	8.3
415.14566	31.0
416.14938	2.3
438.55707	0.5
461.20303	2.3
463.22043	0.7
483.30936	0.8
527.28430	1.3
566.05072	0.5
625.10132	0.7
668.15387	1.2
677.37897	3.4
678.38055	0.9
737.41400	7.3
738.41626	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	737.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	0.6
57.03452	0.8
59.01383	4.8
61.98833	100.0
62.98541	0.9
62.99231	0.5
63.99258	3.2
68.99821	0.9
69.03467	0.6
70.16531	0.4
71.01388	53.5
71.05011	0.5
71.72175	0.5
72.01727	1.1
72.99319	0.6
73.02959	1.5
76.11211	0.4
78.95908	0.9
79.95752	1.0
80.02669	0.8
80.96533	2.4
81.03474	1.5
83.01414	0.6
83.04623	0.4
83.05022	2.3
84.02177	0.5
85.02957	2.1
85.50435	0.3
87.00871	2.5
87.65220	0.3
89.02463	1.4
94.98082	0.4
95.01409	0.6
95.05042	0.9
97.02962	2.6
97.06603	1.2
99.00883	1.5
101.02464	3.1
107.05056	0.6
109.02949	0.7
109.06609	9.8
110.03748	0.7
111.04534	1.4
113.02457	1.3
119.03584	0.5
121.06589	0.5
122.03707	0.5
123.04514	0.6
123.08169	0.7
125.02421	1.4
125.06087	0.5
125.09738	2.8
127.11295	1.0
135.08174	1.9
136.05290	0.4
142.02679	0.6
145.05080	0.6
148.99164	0.4
151.11237	0.7
153.09109	0.5
161.04477	0.8
161.05812	0.4
161.09729	2.0
163.11330	6.8
164.11555	0.4
164.98758	0.6
165.09244	0.5
165.12907	0.4
169.12355	0.5
171.10300	11.0
172.10577	0.6
172.20575	0.4
177.09222	0.6
179.10783	1.8
181.12367	3.1
185.11823	1.9
187.09753	0.9
189.09050	0.5
191.05643	2.2
197.11836	2.8
199.09714	0.9
199.13452	2.3
201.11320	4.7
205.08746	2.7
207.10274	22.9
208.10553	1.1
209.11838	20.8
210.12155	2.1
211.13322	1.5
213.11189	0.8
215.12753	0.5
221.11792	0.5
223.09778	5.5
225.00641	0.9
225.11325	15.5
226.11537	1.3
227.12874	2.3
235.08176	1.3
237.11269	0.4
243.12434	1.9
244.79779	0.4
246.86584	0.4
253.09264	4.8
257.04315	0.4
263.12750	0.7
371.18222	0.4
397.20007	0.6
415.21008	0.6
433.21265	0.5
459.18451	0.9
461.20215	2.6
462.20901	0.5
479.21106	0.5
587.53326	0.4
651.29919	0.6
669.30627	0.9
687.32123	1.0
719.35168	0.5
737.30518	4.2
738.31018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80459	0.4
57.03444	0.7
57.24183	0.3
59.01378	4.6
61.98833	100.0
63.32579	0.3
63.99233	0.4
68.99817	0.3
69.03471	0.6
70.15570	0.3
71.01388	40.2
72.01719	0.8
72.99313	0.4
73.02947	1.4
78.95908	0.4
78.98620	0.5
79.95747	3.2
80.02692	0.9
80.96532	6.6
81.03478	1.2
81.41130	0.4
83.01427	0.8
83.05051	1.4
84.02190	0.4
85.02975	1.8
87.00881	2.2
89.02462	1.3
94.98109	1.0
95.05044	0.6
96.96017	1.5
97.02955	2.3
97.06606	0.7
99.00913	1.2
99.04523	0.3
101.02477	2.1
109.02965	0.6
109.06612	7.0
110.03788	0.4
110.06955	0.4
111.04564	1.1
113.02484	1.3
121.06608	0.7
122.97623	0.4
123.04550	0.5
123.08168	0.5
125.02470	1.8
125.06088	0.4
125.09746	2.1
127.11311	0.5
131.03494	0.4
131.73151	0.4
135.08211	1.4
136.05403	0.7
137.09654	0.4
142.02679	0.7
152.98703	0.7
159.34186	0.3
161.04626	0.8
161.09763	1.4
161.66179	0.4
163.11311	4.2
164.11668	0.6
164.98679	1.0
165.09297	0.9
169.12320	0.5
171.10291	7.2
171.11665	0.7
172.10658	0.7
179.10855	1.6
181.03865	0.4
181.12328	2.0
185.11925	1.4
187.09848	0.8
191.05678	1.7
197.11844	3.2
198.12228	0.8
199.09845	0.8
199.13486	0.9
201.11305	2.2
205.08725	1.7
207.08319	0.9
207.10291	16.1
208.10699	1.4
209.11855	15.2
210.12254	2.3
211.13420	1.3
215.12906	0.6
223.09818	3.9
225.00812	1.5
225.11345	11.2
226.11884	0.8
227.12921	1.8
231.16316	0.4
235.08202	0.9
237.14999	2.4
239.12906	0.8
243.12419	1.6
253.09258	3.1
255.16130	0.7
273.17169	1.7
274.17490	0.7
289.07300	0.8
299.15100	0.5
373.95160	0.4
459.18878	0.6
461.20566	2.0
616.30292	0.4
669.32379	0.6
687.32782	0.9
719.29651	1.0
737.30365	8.1
738.31207	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	737.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01375	2.3
61.98831	16.7
63.96250	1.4
69.03455	1.3
71.01384	8.4
71.05410	0.5
71.05734	0.5
72.99317	0.6
73.02962	2.0
78.95917	1.0
78.98601	6.8
79.95739	13.6
80.34148	0.3
80.96521	73.8
81.03454	1.5
83.01398	0.7
83.05033	1.1
85.02958	7.6
86.03326	0.3
87.00880	4.5
89.02430	0.3
93.03465	1.6
94.98096	16.9
95.01394	0.4
96.96006	1.3
97.02968	1.9
99.00896	0.7
99.04525	0.7
101.02448	2.4
106.98100	3.9
109.02962	1.6
111.04528	0.7
113.02494	0.8
121.02957	0.3
122.97600	3.5
123.04524	0.4
125.02457	3.9
127.04007	1.8
133.03018	0.3
134.97592	5.9
136.99158	1.8
137.02492	0.7
146.97664	0.3
148.99150	6.7
151.03961	0.4
152.98648	7.6
161.02470	0.6
163.11302	0.6
164.98639	15.3
165.12843	0.6
167.00233	0.6
169.12360	0.6
171.03062	0.4
171.10278	2.3
173.04547	1.0
177.02063	0.3
182.99730	0.4
183.13914	0.5
188.98700	0.4
191.05620	45.2
192.05940	2.0
195.10217	0.5
197.11818	1.5
206.99675	3.9
209.11829	11.0
210.12157	2.0
215.12939	0.6
217.01566	0.3
225.00737	26.4
225.11339	0.7
226.01064	0.8
227.12878	1.5
229.05165	0.3
241.14467	0.7
242.14697	0.3
243.03072	0.4
253.09262	0.8
255.02998	1.3
256.03580	0.4
268.03668	0.3
269.04517	0.8
283.02451	0.9
283.05182	0.4
289.07092	0.3
296.03336	0.6
297.04059	1.1
299.05481	0.6
341.06409	0.4
407.07794	0.9
447.07306	1.6
447.12653	0.3
448.07690	0.8
503.13132	0.4
509.16959	5.5
510.17310	0.6
531.14777	0.5
531.93585	0.3
545.14636	0.7
555.67755	0.4
563.15961	0.7
569.48804	0.4
592.25580	0.7
640.14886	0.8
662.33307	0.6
663.33826	1.7
668.18732	0.3
677.34869	0.8
687.31946	0.4
737.30737	100.0
738.31061	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.57263	0.2
59.01385	1.7
60.84992	0.2
61.98827	1.1
67.01915	0.3
69.76227	0.3
69.76630	1.0
71.01376	1.0
72.99310	0.2
73.02959	0.4
81.03452	0.4
83.01379	0.4
83.05022	0.4
85.02962	9.4
87.00889	2.0
93.03474	4.6
93.04069	0.2
95.01406	0.6
99.04517	0.5
101.02452	0.2
108.02201	0.2
109.02990	2.5
111.04544	1.2
111.88604	0.2
116.00274	0.2
121.02959	0.5
122.03764	0.5
123.04557	1.3
125.02457	1.2
127.04025	2.7
133.02956	0.5
135.04575	0.3
137.02489	2.0
139.28055	0.2
145.02864	0.2
147.04483	0.3
149.02435	0.4
150.03236	0.8
151.04091	1.1
153.01979	0.2
154.02734	0.6
155.03519	0.3
158.03757	0.2
159.04570	0.3
161.02464	1.1
164.01285	0.3
165.01970	0.4
167.03529	0.2
171.03081	1.1
171.04361	0.3
173.04608	2.0
173.06030	0.4
174.03200	0.5
175.04030	0.7
176.15001	0.2
177.01970	0.6
179.03528	0.5
185.06068	0.3
186.58121	0.2
187.04149	0.2
189.01973	0.4
191.05637	100.0
192.05974	4.6
196.05391	0.3
199.03972	0.9
200.04729	0.3
201.01956	0.3
201.05528	0.3
211.04015	0.3
212.04674	0.3
213.05682	1.0
213.07291	0.2
214.02727	0.4
215.03426	0.3
217.01407	0.2
225.05653	0.6
227.03477	1.9
227.07121	0.3
228.04272	0.8
229.05054	0.4
229.08702	0.8
240.04381	0.3
241.05029	1.5
242.02246	0.3
242.05876	1.0
243.02988	2.8
243.06795	0.3
245.08174	0.2
251.03452	0.2
253.05072	0.8
254.02109	0.2
254.05701	0.2
255.02989	17.5
255.06422	0.6
256.03659	4.5
257.04529	2.1
259.05957	0.2
267.02963	0.4
268.03741	4.2
269.04523	7.5
270.05255	2.7
271.02429	0.5
271.06036	0.9
273.07864	0.3
281.04626	1.1
282.01694	0.6
282.05231	0.3
283.02512	3.1
283.05722	0.2
283.11908	0.2
284.03232	0.5
285.04047	2.8
286.04477	0.2
289.03577	0.3
289.07117	0.5
294.05313	0.4
295.02594	1.2
295.05554	0.3
295.09653	0.4
296.03275	9.7
297.04050	9.2
298.04422	1.1
299.02240	0.3
299.05615	1.8
300.02753	0.4
300.05807	0.3
301.03735	0.2
307.02475	0.7
307.05865	0.2
311.05698	0.4
315.05118	0.2
323.09259	1.2
324.09866	0.4
325.03546	3.5
325.10764	0.2
326.03769	0.4
328.02194	2.2
351.08774	0.7
352.09454	0.5
353.09674	0.4
365.10306	0.3
374.78073	0.2
379.08475	0.4
381.09799	0.6
385.13205	0.2
389.06476	0.3
393.08813	0.2
403.08252	0.2
404.09149	0.3
406.06970	2.5
407.07736	20.0
408.08139	2.6
420.08365	1.0
421.09195	0.3
422.09177	0.2
430.07104	1.4
446.06519	0.5
447.07172	5.1
447.13318	0.4
448.07794	3.6
449.08548	0.4
452.11230	0.2
466.08875	0.4
475.14148	0.3
489.10541	1.0
501.15732	0.4
503.13467	10.0
504.13751	1.5
517.15686	0.3
519.16486	0.4
527.13562	1.1
545.14459	5.4
546.14886	1.1
563.15717	1.9
599.18085	0.3
640.14404	9.9
641.14777	1.9
677.49658	0.3
737.20825	1.4
737.32483	0.4
738.21362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01375	1.1
63.02379	0.5
64.42074	0.4
65.00332	1.1
71.01382	1.3
71.71563	0.5
73.27959	0.4
83.01395	1.3
85.02969	3.3
87.00903	0.5
89.02465	0.5
93.03471	1.9
94.61961	0.4
101.02451	0.5
107.01398	1.8
108.02187	1.2
109.02948	2.2
113.02514	0.5
121.02954	1.6
122.15665	0.4
123.04509	0.7
125.01759	0.4
125.02475	4.4
133.02998	0.6
135.00850	0.4
137.02460	1.8
147.04459	0.5
148.01633	0.8
149.02400	0.8
150.03348	0.4
151.00400	9.3
151.03996	0.9
159.04532	1.1
161.02457	1.9
162.82739	0.4
163.00369	1.4
163.04041	0.6
164.01172	0.8
165.01974	2.4
173.02373	0.7
173.04634	0.9
173.06058	0.7
174.03223	1.3
175.04051	1.5
175.07768	0.4
177.01917	2.0
178.99887	3.8
187.04025	0.9
189.01968	1.3
189.05415	0.5
191.05629	19.7
192.06067	1.0
199.04018	2.1
201.01918	0.6
201.05528	0.6
203.03508	0.8
211.03976	0.8
215.07292	0.6
216.04218	0.7
217.01381	0.7
219.02914	0.6
226.02727	0.7
227.03511	2.2
227.07059	0.5
228.04337	0.6
239.03352	0.5
241.04933	1.0
243.02979	7.8
244.03426	0.6
245.04608	0.6
253.04991	0.8
254.02234	1.8
255.02985	17.9
255.06818	0.7
256.03577	1.9
257.04434	0.7
258.01678	3.5
269.04477	1.8
270.05292	0.6
271.02478	34.1
272.02908	3.2
273.04037	4.5
283.02429	1.3
285.04080	1.3
287.05450	0.6
289.07126	0.7
297.04059	2.9
299.02020	1.3
299.05304	1.0
300.02759	71.2
301.03491	33.2
302.04123	2.2
325.03287	0.6
329.08844	2.4
339.04794	0.6
345.15509	1.2
407.07675	3.2
420.08774	0.4
447.07031	2.9
448.08057	0.5
463.08813	100.0
464.09161	13.8
466.09186	0.7
466.98157	0.5
501.15778	2.1
502.16135	0.5
503.13248	1.4
519.16382	1.0
527.13214	0.8
545.14429	3.8
546.14575	1.1
563.15802	1.8
573.09717	0.6
591.11047	0.6
640.14417	0.5
737.20886	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	736.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98833	100.0
62.98542	0.2
71.01402	0.4
71.69258	0.1
71.71388	0.1
78.98608	0.1
79.95747	0.4
80.96521	0.9
83.05054	0.1
88.98843	0.2
94.98112	0.1
97.03029	0.1
101.02457	0.1
113.02493	0.1
116.92856	0.1
119.87921	0.1
121.10258	0.1
125.02489	0.1
152.98653	0.1
163.11386	0.1
164.98718	0.1
171.10310	0.1
185.11899	0.1
191.05650	0.1
197.11922	0.1
207.10275	0.2
209.11844	2.2
210.12122	0.1
211.13419	0.5
225.00803	0.3
225.11418	0.2
227.12956	0.2
235.08385	0.2
251.16507	0.1
253.09348	0.2
289.18091	0.1
291.19656	1.2
445.21021	0.1
504.44260	0.1
507.48755	0.1
527.28601	0.1
637.32703	0.1
665.29163	0.2
691.30255	0.2
737.31885	0.5
748.07428	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	736.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98831	100.0
62.98535	0.1
71.01384	1.4
71.71397	0.1
72.01723	0.1
72.99310	0.1
73.02946	0.1
78.95920	0.1
83.01404	0.2
85.02981	0.3
87.00430	0.1
87.00913	0.3
89.02448	0.6
94.98113	0.1
97.02971	0.2
101.02463	0.9
109.06626	0.3
113.02479	0.3
119.03525	0.2
125.02448	0.4
135.08212	0.1
161.04558	0.2
163.11330	0.2
171.10318	0.2
195.13914	0.1
207.10294	0.9
209.11880	0.9
210.12271	0.2
211.13371	0.8
212.13716	0.3
213.14166	0.1
225.11357	1.4
227.13031	0.5
235.08261	0.6
253.09207	0.4
271.02368	0.1
275.20154	0.1
277.21768	1.0
278.22168	0.8
279.22800	0.1
289.18188	0.4
291.19623	0.7
293.21198	0.9
397.13580	1.6
398.13760	1.1
399.14154	0.1
415.14462	0.5
416.14938	0.4
461.20291	0.3
583.09076	0.1
599.08582	0.2
736.31927	0.1
737.41357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.0
61.98831	100.0
62.05863	0.0
62.98529	0.2
62.99274	0.1
70.07098	0.2
71.01388	0.0
79.95749	0.0
80.96492	0.1
85.02998	0.0
87.00921	0.0
99.00881	0.1
106.45140	0.0
138.34261	0.0
171.10349	0.0
191.05646	0.4
197.11905	0.1
209.11772	0.3
210.12248	0.1
211.12444	0.1
225.00810	0.0
227.12961	0.0
255.03114	0.0
269.04620	0.0
407.07504	0.0
566.94543	0.0
640.16492	0.0
736.29510	0.1
737.31140	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	736.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
61.98833	100.0
62.98540	0.2
71.01408	0.2
78.95930	0.1
79.95739	0.2
80.96498	0.3
87.00902	0.1
94.98081	0.1
98.19856	0.2
101.02486	0.1
110.75186	0.1
125.02475	0.1
146.22092	0.1
163.11349	0.1
183.13895	0.1
191.05605	0.1
197.11823	0.4
207.10320	0.4
209.11882	0.5
211.13399	0.5
212.13843	0.1
222.42961	0.1
223.13287	0.1
225.00687	0.1
225.11430	0.3
226.86037	0.1
227.12950	0.1
253.09378	0.1
281.96576	0.1
285.82452	0.1
345.13940	0.1
379.46857	0.1
655.33691	0.1
737.33655	0.1
748.41559	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	735.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19976	0.3
55.01873	1.0
57.03447	1.0
57.70319	0.5
58.00601	1.4
59.01382	10.2
61.98833	73.0
62.98520	0.4
68.99819	0.6
69.03455	2.6
69.88129	2.2
71.01385	43.0
71.05025	0.9
72.01717	0.9
72.99318	1.3
73.02950	3.7
75.00891	0.6
78.91902	0.5
79.93756	0.4
80.02689	1.9
80.96526	0.8
81.03461	3.3
83.01395	3.7
83.05034	6.5
84.02184	2.4
85.02959	4.2
87.00890	3.2
89.02461	4.7
90.11699	0.4
91.04013	0.9
93.03472	1.0
95.01405	1.5
95.05035	2.2
97.02966	5.2
97.06597	1.2
98.19869	0.8
99.00902	1.5
101.02453	7.2
107.05031	0.5
109.02987	0.6
109.06609	11.0
110.03788	1.1
111.00913	0.7
111.04508	0.9
111.08231	0.4
113.02451	4.3
119.03517	1.4
121.06608	0.6
123.04501	0.7
123.08192	1.4
125.02457	1.2
125.06150	0.8
125.09741	5.5
125.26762	0.5
127.11286	3.1
131.03539	0.5
135.08162	3.1
137.09705	0.6
139.07675	1.1
141.09261	0.5
142.02733	0.9
142.74463	0.4
143.03508	1.2
145.05057	0.7
147.11908	0.6
149.09726	1.1
151.11308	0.5
153.09236	1.1
153.12941	0.9
155.10817	1.8
161.04604	3.1
161.09723	1.5
163.11304	16.0
164.11665	1.1
165.09145	0.9
165.12881	3.0
167.10831	0.5
167.52542	0.4
169.12352	2.0
171.10289	47.8
172.10590	2.5
179.05608	0.7
179.10794	2.8
181.12373	4.2
183.10315	0.6
183.13881	0.8
185.11899	3.0
189.09215	1.5
191.05630	0.4
191.10812	2.9
195.13889	0.5
197.11856	27.9
198.12183	1.7
199.09772	1.7
199.13400	0.8
201.11346	21.8
202.11641	0.9
207.10280	42.2
208.10675	2.7
209.11847	100.0
210.12190	8.2
211.13409	10.4
212.13739	1.0
215.12924	2.5
223.13431	0.9
225.11340	37.9
226.11760	3.4
227.12900	10.0
228.13210	0.9
235.08260	6.0
239.12903	16.4
240.13153	0.9
241.14488	1.5
243.12460	2.1
243.16011	0.7
253.09293	21.8
254.09558	0.9
271.15533	1.7
273.17068	88.4
274.17401	8.5
295.10379	1.3
299.15143	0.5
309.53067	0.4
356.77103	0.4
405.17581	0.5
407.18997	0.7
419.24484	0.5
427.26724	0.6
433.20923	2.8
434.20966	0.5
443.02591	0.5
443.19382	2.5
445.20749	1.4
447.22333	1.3
457.27661	0.5
461.20358	7.8
462.20621	1.4
479.21017	0.9
499.50064	0.4
509.26056	0.7
625.31866	0.5
717.37500	5.5
718.37561	2.2
723.97510	0.5
735.40192	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	735.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
58.72598	0.2
59.01376	2.1
60.99303	1.4
61.98815	0.5
67.01892	2.7
69.03456	0.9
71.01392	2.3
71.72134	0.5
72.99309	1.4
75.00886	3.1
78.17323	0.3
81.03455	0.9
83.01419	0.3
83.05032	1.1
85.02956	4.8
87.00885	5.8
89.02470	0.3
89.03980	0.2
93.03467	25.6
94.03824	0.9
95.01382	0.3
99.00895	0.7
99.04536	0.7
101.02472	0.5
103.00381	0.3
109.02962	0.8
111.04543	3.7
111.30603	0.3
113.02454	0.9
117.03485	1.0
121.02966	3.1
124.01731	0.3
125.02478	1.6
127.04038	1.3
129.01949	0.8
133.02867	0.3
134.03760	8.2
134.99289	0.2
135.04289	0.3
137.02473	1.2
139.04054	0.3
149.06110	0.5
151.00349	0.3
151.04027	0.3
153.01918	0.3
155.03522	0.8
160.01759	0.3
161.02426	0.5
165.01843	0.2
165.09164	1.0
167.03477	0.3
167.35858	0.3
173.04564	7.9
173.06039	0.5
175.04021	0.7
175.73309	0.3
191.05623	100.0
192.05968	4.5
193.05064	5.2
194.05472	0.4
199.04108	0.4
209.88609	0.2
237.11282	0.5
243.02942	2.0
249.06062	1.4
255.12395	3.1
256.12796	0.3
261.04013	2.2
262.04315	0.3
281.10364	2.2
289.07010	0.7
297.13394	0.4
299.11331	4.3
300.11758	0.5
321.00507	0.3
363.16660	0.8
367.10336	39.6
368.10709	5.2
368.14700	0.2
371.09778	5.8
371.13416	0.5
372.10172	0.7
435.09378	0.8
583.10864	0.6
735.15546	0.3
739.57520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
61.98832	100.0
62.98529	0.2
62.99268	0.1
68.86734	0.0
71.01398	0.1
71.43133	0.1
78.95907	0.0
83.05019	0.1
84.93259	0.1
86.30938	0.1
97.94695	0.1
109.06646	0.1
125.02452	0.1
163.11333	0.1
163.20415	0.0
166.13179	0.1
169.12355	0.1
171.10376	0.1
176.96532	0.1
183.13939	0.0
197.11842	0.7
199.13527	0.1
201.11382	0.2
207.10437	0.1
208.10551	0.1
209.11852	1.7
210.12183	0.2
211.13405	0.7
211.15311	0.1
225.11458	0.1
227.12964	0.4
242.47830	0.1
253.09375	0.2
271.02509	0.1
368.70087	0.1
433.20792	0.1
445.21402	0.1
447.22177	0.1
610.51672	0.1
686.34235	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	734.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98830	100.0
62.98536	0.3
70.40826	0.1
71.01402	0.2
71.05041	0.1
73.02929	0.1
80.96513	0.1
83.05033	0.1
89.02460	0.1
101.02497	0.1
113.02446	0.1
116.92897	0.3
125.09744	0.1
149.97388	0.1
159.50421	0.1
163.11388	0.2
165.12883	0.1
171.10443	0.1
197.11839	0.6
198.12213	0.1
199.13480	0.1
201.11301	0.1
201.33257	0.1
207.10324	0.1
209.11845	2.3
210.12216	0.9
211.13477	0.2
225.11327	0.2
227.12947	0.6
228.13298	0.1
253.09314	0.2
273.17108	0.2
445.21066	0.1
656.33862	0.2
734.37488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.5
59.01376	11.9
61.64742	1.3
61.98835	100.0
66.50178	1.3
69.03464	1.6
71.01392	50.8
71.72205	2.0
72.99310	3.1
73.02964	2.3
75.00886	2.2
78.95909	2.1
80.02664	1.5
80.96527	3.6
81.03474	2.7
83.05046	3.1
84.57048	1.4
85.02988	2.8
87.00899	3.3
88.63141	1.2
88.98817	4.1
89.02468	4.8
95.01360	1.3
95.05025	1.6
97.02974	4.7
98.21864	1.3
99.00913	1.4
101.02465	5.7
109.03024	1.5
109.06635	9.3
113.02477	3.4
116.92927	1.5
117.07131	2.2
125.02499	2.9
125.09710	2.6
135.08232	2.3
142.11598	1.2
152.57967	1.5
155.10823	1.3
161.04579	2.7
161.05914	1.2
161.09752	1.7
163.11330	7.7
167.14426	1.4
169.12383	1.7
171.10327	13.7
172.10596	1.3
181.12405	3.2
181.41093	1.2
183.13956	5.9
185.11867	5.9
193.12305	1.7
197.11819	2.2
199.09946	1.9
199.13431	9.2
201.11389	4.5
207.10294	28.2
208.10696	1.9
209.11847	40.1
209.13747	2.5
210.12204	3.0
211.13423	85.9
212.13779	5.1
223.09737	3.7
223.13628	1.6
225.11345	21.5
226.11626	1.6
227.12912	17.8
235.08310	5.2
251.12788	1.4
253.09329	11.3
271.15463	1.8
273.17148	2.1
289.07379	1.4
336.17838	1.4
373.23737	2.2
383.22198	2.6
401.23376	4.1
419.24316	3.8
443.19473	2.8
447.22351	2.0
461.20313	7.2
463.21628	1.7
541.82971	1.6
560.51221	1.7
637.31836	6.4
655.33362	8.6
656.33771	3.3
733.29468	2.8
733.40515	2.7
734.39258	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	733.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45301	0.4
55.01864	0.6
57.03444	1.4
58.00629	0.6
59.01382	28.2
61.98831	2.9
65.36720	0.5
67.65295	0.4
67.70957	0.5
69.03451	0.8
70.58694	1.4
71.01389	56.8
72.01737	0.6
72.99314	0.5
73.02937	2.2
78.95912	1.3
81.03461	1.8
83.01384	1.2
83.05039	2.5
85.02969	2.4
87.00918	2.4
89.02460	3.2
95.01392	0.9
95.05043	1.3
96.53912	0.4
97.02965	2.9
97.06599	0.6
99.00887	1.8
99.42959	0.5
100.73254	0.5
101.02454	6.1
109.02949	0.5
109.06609	8.4
110.03759	0.9
111.00996	0.5
111.04501	0.6
113.02464	2.8
113.09763	1.1
119.03526	1.1
121.06594	0.9
123.04550	0.9
125.02473	1.0
125.09744	1.4
129.19560	0.4
130.55249	0.4
135.08156	2.0
135.54579	0.5
136.05281	0.8
137.49103	0.5
142.02776	1.0
143.03523	0.5
145.05077	1.8
151.03963	0.5
161.04570	2.5
161.09776	0.9
163.11316	6.8
165.09225	0.6
165.12859	1.4
167.10765	0.8
167.14499	1.0
171.10300	5.7
179.05605	0.6
179.10774	0.8
181.12378	3.3
183.13928	8.7
184.14204	0.5
185.11856	2.2
189.09142	0.9
193.12282	2.2
197.04700	0.5
199.09808	1.4
199.13411	4.8
201.11366	3.6
207.10283	30.1
208.10657	1.8
209.11862	19.7
210.12172	1.9
211.13411	100.0
212.13762	6.6
225.11331	19.6
226.11752	1.4
227.12880	18.1
228.13252	1.2
229.14522	0.9
235.08220	6.3
243.12407	1.4
253.09309	8.7
277.14429	0.9
285.15021	0.5
289.07483	0.6
293.21234	3.3
294.21436	3.4
339.23169	0.8
357.24527	1.1
373.23901	2.4
375.21490	0.7
375.25562	0.7
383.22180	2.7
384.22571	0.5
391.24860	2.3
401.23389	7.3
402.23651	0.9
402.47440	0.5
419.24377	3.6
420.24759	0.8
443.19220	1.8
443.24496	0.6
447.22382	2.1
461.20175	3.6
462.20587	0.7
463.21924	1.8
475.27768	0.5
506.69641	0.5
609.33020	0.8
637.32336	8.0
638.32593	1.5
655.33545	11.7
656.34393	5.0
673.34814	2.0
674.33978	0.7
733.42023	4.2
734.43042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13669	0.1
58.80327	0.1
59.01383	0.5
61.98832	100.0
62.98529	0.2
69.92696	0.6
70.96101	0.1
71.01384	0.5
72.90467	0.1
72.99321	0.2
73.02950	0.1
73.49020	0.1
75.00884	0.3
80.96535	0.2
83.05055	0.1
87.00900	0.1
88.98834	0.3
89.02464	0.2
97.02976	0.2
101.02477	0.2
109.06619	0.4
113.02433	0.1
123.04498	0.1
125.09786	0.1
152.45596	0.1
153.60033	0.1
163.11287	0.2
169.12413	0.2
171.10248	0.7
177.01961	0.1
179.10814	0.1
181.12399	0.2
191.05588	0.2
197.11848	1.2
201.11430	0.1
207.10263	0.8
209.11894	1.3
210.12257	0.1
211.13429	0.4
223.09767	0.3
225.11290	0.9
226.11781	0.1
227.12956	0.3
243.12288	0.1
253.09343	0.3
273.17084	0.8
289.07236	0.1
375.26160	0.1
443.19199	0.1
461.20233	0.2
563.13104	0.1
623.31549	0.2
641.32654	0.4
655.33630	0.1
688.24438	0.1
733.36279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98534	0.2
62.99259	0.1
70.72850	0.1
70.73241	0.1
71.01397	0.1
80.17628	0.1
88.98834	0.1
97.91730	0.1
128.17514	0.1
171.10330	0.2
172.10582	0.1
191.05202	0.1
207.10313	0.1
209.11818	0.4
210.12222	0.2
211.13417	0.2
223.13489	0.2
224.13840	0.2
225.11395	0.1
227.12952	0.1
235.08345	0.1
243.16063	0.1
324.40527	0.1
341.23663	0.1
358.85242	0.1
397.96878	0.1
424.97946	0.1
451.58124	0.1
733.39392	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	732.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11538	0.5
57.03445	0.4
59.01379	1.9
61.98832	100.0
70.66423	0.4
71.01403	1.6
71.72043	0.8
75.00900	0.8
87.03609	0.4
89.02473	1.0
95.01394	0.6
101.02434	0.4
106.95233	0.4
108.02171	2.6
110.00104	0.5
113.02480	1.0
116.38031	0.4
119.03534	0.7
123.00886	2.8
123.04541	7.1
124.01679	34.5
124.04838	0.6
125.02525	1.0
136.01692	0.6
137.02466	1.2
138.03198	0.9
139.04030	39.5
140.04404	1.9
149.02451	0.9
151.00403	0.6
151.04074	0.6
152.01164	2.3
163.04108	0.5
164.01137	0.6
178.06366	0.5
179.07121	5.8
180.07494	0.6
189.05634	1.0
190.06326	0.5
191.05620	1.3
191.07176	1.3
192.07936	6.5
203.03566	0.5
205.05116	0.8
205.08739	0.9
206.05849	7.1
207.06630	21.5
207.10217	8.7
208.07048	1.7
208.10686	0.6
209.11823	4.7
221.08179	4.5
222.08774	0.8
227.12880	2.5
269.04553	1.7
283.02487	0.9
299.02170	0.5
327.12387	0.8
329.10403	2.5
330.11105	9.9
331.11606	1.1
345.13437	24.9
346.13870	3.4
356.72571	0.5
492.16556	1.2
507.18695	57.1
508.18945	9.0
577.91400	0.5
593.76733	0.4
639.47467	0.6
669.24054	28.5
670.24591	6.0
732.32886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46601	0.3
54.48042	0.4
55.01888	0.6
57.03466	0.6
59.01374	4.9
61.98834	7.4
65.03992	0.4
71.01389	3.7
71.05044	0.5
71.42815	0.6
72.99335	0.5
73.02952	0.8
73.43574	0.4
73.92809	0.4
75.00910	0.5
76.04858	0.4
80.02716	1.1
81.03500	1.2
82.71475	0.4
83.01422	1.0
83.05035	5.6
83.05448	0.5
84.02216	1.1
85.02951	0.9
85.51841	0.4
87.00907	1.2
89.02485	1.6
91.06550	0.3
93.03507	0.6
95.05082	0.7
96.96088	0.6
97.02959	4.7
97.03443	0.4
97.06627	0.9
99.00891	7.4
99.04517	0.5
101.02447	2.5
109.06618	3.5
110.03789	0.8
111.04588	0.5
113.02495	1.4
119.03500	0.9
121.06626	0.4
123.04608	0.8
123.08190	0.8
125.02470	1.0
125.09736	3.1
133.02979	0.6
135.08195	1.3
136.05313	1.0
142.02763	1.1
147.10732	0.4
161.04591	1.3
161.09711	0.7
163.09984	0.3
163.11296	9.1
164.11626	1.4
165.12871	2.3
171.10292	1.6
177.01958	0.5
179.10895	0.7
181.12361	11.6
182.12697	0.4
185.11873	0.7
191.05656	1.0
191.10794	1.3
197.11867	0.6
199.13455	1.5
207.10280	34.5
208.10574	2.2
209.11839	100.0
210.12183	6.6
211.13365	0.5
221.08186	0.4
225.11320	62.7
226.11688	3.7
227.12904	19.6
227.14716	0.3
228.13199	1.5
235.08234	2.2
239.30927	0.4
243.12366	6.6
244.12706	0.5
253.09288	4.1
273.40170	0.4
299.15030	0.5
351.07068	0.6
373.23752	0.7
379.21243	0.9
391.25150	0.6
399.21997	0.6
417.22818	1.4
435.23965	0.6
443.19180	2.6
445.20734	1.2
461.20273	17.7
462.20572	2.5
509.27158	0.5
609.32495	0.9
627.30658	1.2
635.30737	1.9
653.31830	15.0
654.32355	3.5
671.21735	0.8
671.32843	15.1
672.23547	0.5
672.33215	4.1
676.48517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
58.00602	0.3
58.74859	0.3
59.01363	1.4
63.02399	0.4
65.00320	1.1
66.18858	0.2
71.01413	0.3
72.99313	9.7
75.00878	8.3
76.01217	0.3
76.21253	0.2
83.01392	0.6
83.05020	0.6
87.04514	0.6
107.01403	2.3
108.02196	0.5
109.02962	1.4
121.02978	1.7
125.02422	0.3
135.00876	0.4
148.01649	0.8
149.02444	0.5
149.75163	0.3
150.99168	0.5
151.00389	10.0
151.04074	0.3
152.00722	0.5
155.40881	0.2
157.06631	0.2
159.04614	0.3
161.02475	0.3
161.09727	0.3
163.00392	2.6
163.03964	0.3
163.11398	0.6
169.01393	0.4
178.99886	4.9
183.04527	0.3
185.06157	0.3
190.99936	0.4
191.05635	0.4
201.05582	0.6
207.10283	0.7
211.03996	1.0
213.02023	0.2
215.03383	0.3
226.02779	0.5
227.03490	2.0
229.05014	1.0
239.03482	0.4
239.12886	18.0
240.13239	1.3
243.02968	4.8
244.03336	0.6
245.04631	1.4
254.02232	1.5
255.02974	15.3
256.03323	1.3
257.65671	0.3
265.10764	0.6
271.02463	27.2
272.02872	2.8
273.04007	0.9
283.02628	1.6
283.11862	29.6
284.02957	0.3
284.12216	3.0
285.04214	0.4
299.02023	0.5
300.02753	58.0
301.03491	44.8
302.03906	3.6
315.44370	0.3
447.09323	100.0
448.09671	13.1
614.88824	0.3
731.31732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48251	0.1
59.01399	0.1
60.31912	0.1
70.20800	0.3
70.21197	0.3
71.01388	0.3
85.02966	0.2
85.07095	0.1
93.03471	0.9
107.12864	0.1
111.04537	0.1
117.03499	0.3
119.05047	90.5
120.05384	4.6
121.02993	0.1
133.03033	0.1
135.04544	0.2
151.07664	0.4
163.04031	100.0
164.04373	5.4
167.03427	0.1
173.04631	0.6
191.05632	3.7
192.06003	0.1
194.63474	0.1
205.05208	0.2
209.04636	0.2
243.02977	0.2
261.04022	0.6
271.08401	0.1
283.01425	0.1
325.09302	16.1
326.09644	1.6
337.09326	2.4
338.09537	0.3
357.11942	0.4
427.72012	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.91322	0.2
59.01377	1.2
60.99309	1.1
61.98828	0.3
67.01896	3.0
69.03460	0.6
71.01386	2.1
73.02946	0.3
81.03478	0.4
81.63834	0.2
83.01395	0.3
83.05035	0.7
85.02956	4.1
87.00882	4.6
93.03468	19.0
94.03814	0.6
94.60490	0.2
95.01392	0.2
99.00891	0.8
99.04552	0.4
101.02434	0.2
109.02963	0.9
111.04542	3.8
112.70055	0.2
113.02446	0.4
117.03486	0.5
119.05043	28.5
120.05433	1.3
125.02508	0.5
127.04022	1.2
127.07557	0.2
129.01958	0.7
133.02979	0.9
135.04544	3.4
136.04922	0.3
137.02451	0.7
145.02959	2.6
151.00403	0.6
151.04062	0.3
153.01939	0.2
155.03545	2.0
157.02914	0.3
161.02475	1.5
163.04027	50.0
164.04364	2.5
167.03558	0.6
169.01779	0.2
171.02959	0.2
173.04579	14.8
173.05984	0.6
174.04916	0.7
175.02681	0.3
175.03992	1.2
175.06133	5.1
177.01985	0.8
179.03503	3.7
191.05623	100.0
192.05917	3.6
199.04013	2.0
209.08163	0.4
217.05026	0.8
233.04590	0.4
243.02979	6.8
244.03259	0.8
261.04037	15.7
262.04462	1.5
277.03452	0.6
297.13382	0.9
319.04507	0.2
325.09229	1.7
337.09290	58.8
338.09586	5.5
393.08279	5.7
394.08771	0.4
731.73547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.3
57.03453	1.1
58.00595	0.5
59.01085	0.6
59.01381	10.1
60.77090	0.4
60.99305	1.4
65.00330	0.4
67.01891	4.6
67.13007	0.3
69.03461	1.0
69.18670	0.3
69.92715	0.3
71.01387	8.5
71.71295	0.5
72.99314	0.7
73.02967	0.5
73.40667	0.3
76.13552	0.3
78.32085	0.3
81.03468	1.4
83.01391	0.6
83.05029	0.8
85.02957	5.9
87.00890	5.5
89.02457	7.3
93.03471	33.6
94.03796	1.4
95.01411	1.0
96.02257	0.4
99.00892	0.5
99.04537	0.8
101.02461	3.9
101.06102	0.4
107.01404	0.6
109.02977	1.7
111.04543	5.5
113.02483	3.0
119.03606	2.7
119.05042	15.8
120.05393	0.8
125.02477	1.2
125.13044	0.3
127.04071	1.2
129.01979	0.4
131.03558	0.5
131.05078	0.5
133.02942	0.6
135.04533	0.6
137.02467	3.5
143.03526	1.2
145.03011	1.0
147.04541	11.2
148.04851	0.4
149.06059	0.4
151.00404	1.1
151.04070	0.8
155.03571	2.5
155.04655	0.4
157.02902	0.5
161.04634	0.7
163.04031	25.8
164.04393	1.2
165.05630	0.3
173.04575	60.6
174.04898	2.7
175.03998	1.7
177.02010	0.3
177.13687	0.3
179.03551	0.5
179.05629	4.0
191.05634	100.0
192.06003	3.7
193.05035	0.6
199.04085	2.5
217.05025	1.0
233.04539	0.5
243.02962	9.1
244.03342	1.1
245.04564	0.4
261.04044	19.3
262.04370	1.9
289.07266	1.0
299.86728	0.4
310.52020	0.3
327.10858	12.1
328.11157	0.9
337.09299	61.9
338.09619	6.7
366.76019	0.3
393.08334	6.0
394.08896	0.7
638.19995	0.4
681.55353	0.4
731.16528	0.5
754.60986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01384	0.3
60.12196	0.2
63.30259	0.2
69.88879	1.3
71.01367	0.2
81.03454	0.4
83.05038	0.5
85.02959	1.0
87.00893	0.3
93.03472	2.4
95.56139	0.2
98.20493	0.3
103.59418	0.2
109.02983	0.3
111.04539	2.3
119.05043	50.0
120.05379	2.6
121.03016	0.3
125.02438	0.2
127.04040	0.5
129.01982	0.3
135.04582	0.9
137.02434	0.3
151.00369	0.3
155.03523	2.0
163.04028	100.0
164.04362	5.5
173.04567	3.6
175.04025	0.3
191.05626	14.1
192.05998	0.6
199.04012	0.5
243.02956	1.7
261.04004	3.0
262.04425	0.3
265.61484	0.2
283.98087	0.2
337.09293	41.2
338.09616	3.7
393.08185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55850	0.2
59.01364	0.4
70.21853	0.5
70.22243	0.5
71.01389	0.4
73.02956	0.3
81.03482	0.3
83.05032	0.7
85.02956	3.3
87.00887	0.9
93.03479	3.4
109.02975	0.4
111.04532	2.5
117.03465	0.3
119.05044	55.8
120.05376	1.9
125.79253	0.2
127.04028	1.0
135.04512	0.4
137.02477	0.4
145.02957	0.6
149.46707	0.2
155.03526	2.2
163.04028	100.0
164.04381	4.9
173.04565	4.6
174.04987	0.3
191.05627	42.6
192.05972	2.0
199.03986	0.4
243.02982	0.7
261.04050	1.4
337.09290	59.9
338.09653	5.7
344.25818	0.2
393.08301	0.6
557.71368	0.2
615.09753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
57.90070	0.1
59.01377	0.7
67.01892	0.3
69.93944	0.6
71.01393	0.6
73.02946	0.2
77.08582	0.1
77.82418	0.1
78.09930	0.1
81.03484	0.2
83.05030	0.2
85.02958	5.5
86.78327	0.1
87.00873	1.2
93.02921	0.2
93.03472	2.5
94.03810	0.2
99.04504	0.3
105.03512	0.1
109.02972	0.6
111.04507	0.9
119.05022	0.5
125.02465	0.2
127.04034	1.8
129.01996	0.2
133.02977	1.2
134.03787	0.7
135.03494	0.2
135.04541	3.9
136.04843	0.3
137.02417	0.3
143.03481	0.2
153.01909	0.1
155.03540	0.2
161.02463	2.9
163.04053	0.9
168.70599	0.1
171.02969	0.4
173.04578	1.2
177.02000	0.1
179.03499	3.4
180.03862	0.2
185.64056	0.1
189.01773	0.6
191.05623	100.0
192.05962	4.6
201.01692	2.3
215.05586	0.2
216.99103	0.3
227.09610	0.1
261.04132	0.2
337.09329	0.2
351.07367	0.3
352.07541	0.2
353.08774	16.5
354.09100	1.7
375.06973	8.7
376.07410	0.9
391.04398	1.0
459.85919	0.1
555.93909	0.2
567.13110	0.2
729.15363	0.5
730.15643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
59.01380	30.3
61.98835	15.7
69.03452	2.0
71.01381	16.8
72.99286	2.6
73.02932	1.9
78.95934	1.5
80.02702	1.6
81.03458	5.5
83.01379	3.1
83.05038	6.8
84.02171	1.8
85.02952	4.6
87.00909	2.1
87.87464	1.4
88.98811	3.9
89.02453	6.8
93.03462	2.2
95.01405	1.5
95.05038	4.9
96.95985	2.0
97.02972	11.6
97.06609	2.7
98.19878	3.8
99.00902	2.2
101.02430	10.7
105.65698	1.4
106.04245	1.5
106.50134	1.4
107.05032	2.0
109.02975	2.7
109.06602	47.5
110.06887	2.2
111.04523	2.2
111.13335	1.3
113.02449	5.1
119.03507	2.4
121.02978	1.9
121.06605	4.2
123.08166	2.6
125.02460	5.5
125.09748	10.0
135.04539	2.5
135.08228	7.8
137.02435	2.6
142.02704	4.7
161.04585	2.7
161.09717	2.9
163.04143	1.9
163.11305	29.6
164.11656	2.7
171.10266	5.6
175.11259	1.7
179.10638	2.1
179.14792	1.6
181.12386	8.3
185.11864	2.7
187.09743	4.4
189.09282	2.4
191.05597	4.2
191.10802	1.8
197.11839	3.2
199.09747	1.6
201.11372	13.5
205.08655	2.1
207.10283	100.0
208.10602	6.2
209.11833	21.7
211.13414	10.7
212.13696	1.9
223.09734	4.9
223.13354	13.8
225.11339	46.2
226.11615	4.6
227.12897	25.2
228.13380	2.1
235.08221	4.7
235.13232	1.7
237.14864	2.1
245.11670	2.1
253.09247	11.7
263.12897	3.0
309.20642	3.8
361.20004	1.8
369.20242	1.4
371.18576	4.2
371.22556	2.2
379.20425	1.5
387.21896	2.5
389.19489	2.1
397.20184	6.1
405.17691	1.9
415.21155	15.4
433.22397	4.1
443.19156	2.5
456.77640	1.5
461.20071	11.2
462.20895	2.7
463.21936	2.7
471.46762	1.8
594.13965	1.6
597.29260	3.9
607.27765	11.4
608.28094	3.2
625.28821	22.7
626.29218	4.1
633.29053	13.8
651.30304	54.8
652.30652	11.7
669.31396	33.0
670.31622	5.5
729.34912	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	727.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01381	3.0
60.51952	0.5
61.98834	5.9
71.01381	3.8
71.72137	1.0
73.02952	0.7
78.95924	0.9
79.05548	2.2
80.73363	0.6
80.96519	0.7
81.03474	0.9
83.01401	0.8
83.05038	1.6
85.02969	1.8
87.00878	0.7
88.98803	0.9
89.02465	1.7
96.96039	0.7
101.02461	2.6
105.96055	0.5
109.02962	1.4
111.04525	0.7
113.02493	0.9
119.03485	0.6
120.58337	0.6
123.04525	1.0
125.02451	3.0
127.11245	0.6
131.29198	0.7
135.04555	0.6
137.02425	1.0
149.09740	1.2
151.04004	0.8
155.10831	0.8
155.49005	0.6
161.04553	1.4
163.11328	1.3
165.12885	0.8
171.10268	1.5
179.03471	0.7
179.05605	0.7
179.10796	0.7
191.05678	3.8
191.10712	0.7
201.11336	25.1
202.11769	1.5
207.13960	4.4
209.11838	100.0
210.12155	6.5
225.11272	0.9
227.12881	23.6
228.13272	2.0
235.08218	5.7
251.12848	4.7
253.09259	10.2
289.07126	1.7
296.13870	0.8
333.13425	0.7
341.06479	0.9
375.21527	0.8
393.22549	0.8
405.18042	0.7
437.20435	3.8
438.19977	0.8
445.20694	16.7
446.20947	2.2
463.21747	2.6
601.74988	0.7
611.31122	1.1
629.32251	5.6
630.32416	1.0
637.32288	2.9
647.32794	2.0
655.33704	1.4
667.39502	5.2
673.34637	2.2
674.34351	0.7
727.33148	32.7
728.33673	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01381	5.9
61.98820	2.2
69.03444	0.8
71.01389	5.1
71.72141	1.2
73.02921	1.5
78.95930	0.7
83.05037	1.4
85.02953	1.7
86.25047	0.6
87.00876	1.6
89.02441	2.0
95.05032	1.1
97.03048	0.7
97.06603	6.5
101.02469	4.3
113.02463	2.1
145.05083	0.7
149.09702	0.7
151.11310	13.6
152.11555	1.1
161.04579	2.0
169.12361	56.7
170.12660	2.6
171.10271	1.0
185.17999	0.7
195.10275	1.3
195.13885	4.6
197.11833	1.3
209.11818	5.0
211.13408	0.8
213.11325	7.9
214.11668	1.0
217.33643	0.6
223.13393	3.4
235.08180	1.2
251.20226	0.8
253.09215	3.2
275.20059	3.3
279.19696	4.8
293.21225	20.7
294.21570	2.3
431.19409	1.6
449.20023	3.5
627.07874	0.7
627.33917	0.9
725.41388	100.0
726.41608	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	727.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01382	4.2
65.00333	1.9
68.99813	0.6
71.01392	2.4
71.71393	0.7
73.02962	1.2
81.03465	0.6
83.01398	2.6
85.02969	1.9
89.02484	1.4
100.22995	0.5
101.02427	1.0
107.01408	2.0
107.05038	1.7
109.02964	2.1
109.06607	13.2
113.02464	3.0
117.03463	0.5
123.04543	1.6
125.02459	7.5
127.07672	81.3
127.85734	0.6
128.07997	3.6
129.86099	0.5
131.05043	2.5
133.02985	2.2
135.00961	0.6
135.04541	7.1
136.04826	0.7
137.02454	1.1
147.04521	1.2
149.02464	1.8
149.06084	0.8
149.54005	0.5
150.03262	0.7
151.00423	5.7
151.04030	4.5
151.07672	1.3
153.01982	0.6
155.05052	2.2
156.31912	0.5
157.03004	0.8
161.02455	1.4
161.04648	0.6
163.04100	0.6
167.03580	1.3
171.06659	97.8
172.07019	4.6
173.04700	1.0
173.06084	4.7
174.03241	0.6
175.04019	8.0
176.04362	0.7
177.01883	3.0
179.03505	2.1
191.03575	1.6
191.05647	4.5
193.05038	2.5
195.06694	0.7
199.04034	13.6
200.04459	1.2
202.99736	0.6
213.05782	0.6
213.07744	1.7
217.05058	5.7
218.05463	0.6
218.49449	0.5
219.02946	1.1
223.06180	1.8
233.04646	1.1
243.02980	48.8
244.03313	4.9
259.02545	0.7
261.04031	100.0
262.04337	7.3
287.05353	0.7
289.07236	1.4
333.11911	38.5
334.12289	3.0
353.08771	3.4
389.06525	3.4
393.08267	28.8
394.08713	2.9
397.11722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.9
61.98834	100.0
63.99237	2.5
65.20053	2.4
71.01379	8.7
71.20313	7.3
73.39236	2.4
75.00928	2.6
78.95917	3.6
88.98804	2.8
89.02475	4.2
89.28756	2.9
96.96062	3.7
101.02414	3.8
116.92889	5.8
125.02477	3.4
130.54456	2.7
138.18219	2.8
151.03908	2.6
161.04601	2.9
163.11217	4.9
171.10307	6.1
183.13931	3.2
191.05661	4.8
197.11879	5.1
201.11470	4.1
204.99492	2.7
207.10199	9.4
209.11844	74.8
210.12065	3.4
211.13411	92.0
212.13750	4.3
227.12918	20.5
227.18715	2.9
235.08130	5.4
253.09280	7.3
255.36674	2.7
274.64450	2.7
407.63214	2.7
445.20706	5.7
447.22305	18.5
639.33997	8.2
640.33716	3.2
657.35565	5.3
725.35431	58.8
726.35626	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	725.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87039	0.2
55.01908	0.2
57.03447	0.7
59.01381	12.1
59.60896	0.2
61.98836	0.2
69.03462	2.3
69.52978	1.7
71.01389	3.3
71.05029	0.8
71.58623	0.2
72.99290	0.2
73.02956	0.7
81.03499	0.3
83.01398	0.4
83.05042	0.7
85.02968	0.7
85.06621	0.4
87.00901	0.6
89.02452	2.3
93.03434	0.2
95.05041	0.6
97.02939	0.3
97.06617	0.4
98.19926	0.4
99.00890	0.2
101.02457	3.3
108.05809	0.2
109.06598	0.8
111.08168	2.6
113.02451	1.8
116.92886	0.2
119.03510	0.6
123.08137	0.2
125.02496	0.3
125.09760	0.4
141.09233	0.4
143.03526	0.5
145.05142	0.4
149.09726	0.5
151.11385	0.4
153.09218	0.4
153.12860	0.8
161.04597	1.3
167.10777	3.3
167.12068	0.3
169.12363	4.3
177.12886	0.7
179.05656	0.6
179.10776	1.7
179.14424	3.5
181.12578	0.2
185.11862	0.3
195.13913	10.2
196.14272	0.7
197.11839	50.7
198.12161	2.7
199.13396	0.6
205.12338	9.1
206.12617	0.6
211.13469	1.3
213.11299	0.3
223.13394	100.0
224.13733	8.0
227.12874	0.5
235.08205	4.6
249.14871	0.5
253.09286	9.2
254.09636	0.5
263.20093	0.6
265.17935	0.3
273.18616	0.4
281.57132	0.2
286.10437	0.2
289.25272	0.2
291.19623	4.8
292.19992	0.3
293.14020	0.2
293.21143	0.4
309.20700	14.7
310.21008	1.4
385.23682	0.2
403.24536	0.2
411.25360	0.9
415.19843	0.2
429.26196	1.2
433.20691	2.4
434.21149	0.4
441.21155	2.4
442.21677	0.4
459.22351	15.5
460.22577	1.8
527.28772	0.3
545.29407	0.5
595.31366	0.5
597.61426	0.2
605.03040	0.2
621.32739	0.8
647.34412	2.5
648.35034	0.5
665.35443	3.5
666.35797	1.0
725.40503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36411	0.3
57.03448	0.8
59.01365	0.5
65.00323	2.1
67.78120	0.3
68.99799	0.6
70.69302	0.3
71.01397	0.3
71.71409	0.4
74.08944	0.3
81.03469	0.7
82.93405	0.3
83.01385	2.5
85.02930	0.4
89.03963	0.3
93.03468	0.5
95.05017	0.8
97.02953	1.4
101.06136	0.6
107.01412	1.9
107.05043	1.1
109.02971	6.4
110.03292	0.3
119.05061	0.5
121.03015	0.7
122.03722	0.4
123.04557	3.6
124.01602	0.3
125.02468	7.7
131.05049	3.5
133.02992	2.1
135.00909	0.6
135.04518	0.6
137.02458	2.9
139.04054	0.6
143.05048	0.5
145.03001	0.5
145.06607	0.3
147.04529	0.9
149.02448	1.3
149.06093	1.1
150.03348	0.3
151.00404	5.8
151.04025	5.5
152.04375	0.4
153.01945	0.8
155.05067	1.9
157.02953	1.7
161.02484	0.8
161.06108	1.4
163.03992	0.6
164.01137	0.8
165.01923	0.8
167.03557	0.5
170.32619	0.3
171.04561	1.0
173.04649	0.6
173.06090	5.2
173.08261	0.4
174.03212	1.1
174.06412	0.5
175.04021	11.5
175.07585	0.3
176.04381	0.8
177.01958	3.2
177.05550	0.3
179.03503	1.1
181.05121	0.5
187.04063	1.6
188.04820	1.0
189.05537	0.9
191.03528	1.8
191.05580	1.0
193.05063	2.6
198.03227	0.5
199.04022	17.5
200.04344	1.3
201.01941	1.9
201.05692	0.4
202.99855	0.4
203.07117	2.8
205.05107	1.9
207.02908	0.3
215.03450	0.7
217.05089	7.3
218.05464	0.5
219.02979	0.9
221.08226	0.8
226.51630	0.3
227.07109	0.3
231.03023	0.5
232.03790	0.4
233.04480	0.8
243.02979	58.0
244.03333	4.3
245.08183	4.2
259.02512	1.1
260.03033	0.4
261.04031	100.0
262.04385	7.4
271.06039	0.4
273.04019	0.9
285.04044	0.6
287.05634	0.3
289.07181	24.1
290.07498	2.2
303.05093	2.3
319.13867	0.3
331.04538	0.3
351.13034	0.8
373.11554	0.3
375.07214	6.4
376.07730	0.7
393.08340	3.2
435.09335	59.2
436.09674	7.5
539.75134	0.3
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
53.39849	0.1
55.01868	0.3
57.03437	0.2
58.00611	0.2
59.01381	3.5
59.98552	0.1
61.98841	0.1
65.50502	0.1
69.03455	0.1
70.48465	0.1
70.48817	0.3
71.01385	3.7
72.99308	0.2
73.02950	0.9
75.00887	0.1
78.95898	0.2
80.02684	0.9
81.03472	1.0
83.01385	0.5
83.05031	3.6
84.02173	0.5
84.05369	0.1
85.02968	0.9
87.00887	1.0
89.02457	1.8
93.85358	0.1
95.01412	0.3
95.05070	0.5
97.02983	0.2
97.06593	0.3
98.19930	0.1
99.00893	0.2
100.52625	0.1
101.01790	0.2
101.02454	3.1
109.06604	0.3
111.04525	0.1
111.08171	0.2
112.01696	0.1
113.02468	1.7
113.06096	0.1
115.04025	0.1
119.03493	0.5
125.02460	0.2
125.06116	0.3
125.09772	0.2
127.07693	0.2
133.05093	0.3
135.08188	0.5
143.03513	0.3
145.05101	0.7
147.11813	0.2
149.04591	0.1
152.99608	0.4
153.09239	0.1
161.04588	1.1
163.11307	3.0
164.11623	0.2
165.12880	1.5
167.91667	0.1
179.05603	0.2
179.27937	0.1
181.12334	0.5
183.13828	0.1
191.10835	0.7
199.13338	0.2
207.10220	0.1
209.11842	78.2
210.12173	5.3
211.13474	0.2
225.11328	0.1
227.12904	10.0
228.13235	0.5
233.22697	0.2
235.08224	5.7
236.08525	0.3
253.09291	9.0
254.09665	0.4
259.20593	0.4
275.20139	0.3
277.21722	100.0
278.22067	11.0
445.20975	0.4
446.21143	0.1
463.21841	0.2
469.15158	0.2
470.91934	0.1
513.30701	0.4
687.35211	0.2
705.36426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.1
57.03449	0.2
58.00611	0.2
59.01085	0.2
59.01381	2.6
69.03459	0.1
69.83099	0.6
71.01389	2.1
71.05009	0.2
72.99318	0.2
73.02940	0.4
80.02682	0.8
81.03460	0.8
83.01389	0.5
83.05036	3.9
84.02174	0.5
84.05358	0.1
85.02949	0.6
87.00897	0.3
89.02457	1.6
91.04032	0.1
93.03481	0.1
95.01405	0.2
95.05041	0.6
97.02960	0.1
97.06606	0.2
99.00885	0.1
101.02451	1.9
101.03081	0.1
102.02815	0.1
109.06624	0.3
111.08189	0.1
113.02483	1.2
113.06077	0.1
119.03499	0.4
125.02550	0.1
125.06133	0.4
125.09712	0.1
135.08179	0.5
143.03520	0.2
147.11842	0.2
149.09830	0.1
152.99553	0.1
161.04576	0.8
163.11310	3.4
164.11653	0.2
165.12871	2.0
166.13174	0.1
179.05585	0.5
180.05809	0.1
181.12337	0.4
191.10808	0.8
199.13335	0.2
207.10248	0.1
209.11845	100.0
210.12177	6.9
225.11288	0.2
227.12901	10.6
228.13300	0.7
233.11531	0.1
233.22768	0.2
235.08241	1.3
241.30650	0.1
251.12979	0.1
253.09285	7.1
254.09674	0.4
259.20660	0.2
265.36124	0.1
275.19986	0.2
277.21725	48.1
278.22076	5.5
328.65527	0.1
445.20752	1.2
446.21283	0.2
463.21393	0.1
469.32971	0.1
723.42291	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47199	0.1
55.01884	0.4
56.60995	0.1
57.03455	0.2
58.00603	0.2
59.01376	3.4
61.98845	0.3
64.34846	0.1
64.54271	0.1
68.57019	0.1
69.03452	0.2
69.64043	0.9
69.64435	0.2
71.01382	3.2
72.99305	0.2
73.02953	0.7
78.95927	0.5
80.02686	0.9
81.03461	1.2
83.01405	0.8
83.05029	4.0
83.05530	0.2
84.02170	0.7
84.05374	0.2
84.31853	0.1
85.02951	1.0
86.00137	0.1
87.00873	0.6
87.30245	0.1
89.02456	2.2
89.02998	0.2
93.03451	0.1
95.01440	0.2
95.05033	0.5
97.02966	0.4
97.06603	0.2
99.00908	0.2
100.39661	0.1
101.02454	2.7
101.03077	0.2
102.02828	0.1
103.04041	0.1
109.06592	0.5
110.06963	0.1
111.08174	0.2
113.02470	1.6
113.06090	0.1
115.03995	0.2
119.03529	0.4
123.08189	0.1
125.02493	0.1
125.06055	0.5
125.09751	0.2
127.07711	0.2
133.05106	0.2
135.08191	0.6
140.13548	0.1
143.03537	0.3
145.05103	0.5
147.11833	0.2
152.99652	0.5
161.04576	1.5
163.11304	3.6
164.11642	0.3
165.12866	2.2
166.13152	0.1
179.05635	0.3
179.10681	0.1
181.12378	0.7
191.10832	1.0
197.11963	0.1
199.13402	0.4
207.10287	1.0
208.10635	0.7
209.11835	100.0
210.12164	7.2
225.11324	0.4
226.11694	0.3
227.12886	12.4
228.13248	0.9
233.22771	0.2
235.08206	3.8
236.08545	0.4
241.10928	0.1
248.28630	0.1
253.09264	9.4
254.09642	0.5
259.20612	0.2
275.20096	0.2
277.21704	83.8
278.22049	10.0
279.22302	0.6
445.20770	0.9
446.21091	0.2
463.21378	0.3
469.14606	0.3
705.36456	0.4
723.42981	1.3
724.43085	0.2
754.61420	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03453	0.5
58.00593	0.4
59.01383	2.2
61.98514	0.4
61.98834	7.3
70.09145	1.3
71.01389	2.8
73.02943	0.8
75.00880	0.3
80.02684	1.0
81.03465	0.8
83.01408	0.4
83.05028	3.8
84.02164	0.8
84.99455	0.2
85.02956	0.7
87.00879	0.9
89.02474	1.7
89.02966	0.3
93.03462	0.5
95.01436	0.3
95.05006	0.6
96.96026	0.4
97.02999	0.4
97.06612	0.3
99.00889	0.4
101.02464	2.1
109.02975	0.6
109.06613	0.4
113.02471	1.2
116.92879	0.5
119.03548	0.5
125.02454	0.7
125.06112	0.5
125.09753	0.9
127.11304	1.3
133.03012	0.4
135.04514	0.3
135.08168	0.6
136.72729	0.2
143.03532	0.5
150.03143	0.2
151.04008	0.2
155.10788	0.6
161.02406	0.2
161.04543	0.7
163.11314	3.0
165.01939	0.3
165.09225	0.5
165.12880	1.9
169.12373	0.7
171.10258	2.0
172.10579	0.3
173.04587	0.3
179.05649	0.4
181.12381	0.6
191.05647	2.2
191.10805	0.8
197.11868	0.4
199.09834	0.5
199.13345	0.3
201.11340	21.5
202.11658	1.4
207.10309	0.4
209.11844	100.0
210.12167	8.2
215.12833	0.3
225.11339	0.5
227.12897	14.9
228.13232	1.0
235.08212	3.0
243.02933	0.5
247.13487	0.4
253.09294	8.3
254.09682	0.5
259.15491	0.5
282.97424	0.3
289.07190	0.4
289.21768	0.5
303.88913	0.3
317.03326	0.3
325.20215	0.2
351.07132	0.2
355.15668	0.3
375.21820	0.8
393.22672	0.5
405.17361	0.3
419.19495	0.3
437.20370	0.9
445.20773	5.8
446.21082	0.8
449.14606	0.3
463.21802	0.5
478.05405	0.2
610.03918	0.3
611.30719	0.7
629.31982	0.6
637.32507	0.5
655.33563	0.3
673.34387	0.3
687.22687	0.2
687.33362	0.4
705.34277	0.5
723.37079	1.5
748.13824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	56.5
58.03786	1.0
59.01382	1.3
61.98836	0.4
68.03295	0.2
69.50394	2.3
71.01396	0.6
76.54307	0.2
81.03474	1.0
83.01424	0.7
85.02957	0.8
93.03449	0.3
99.04533	25.1
100.04859	0.5
101.02458	12.0
109.02962	1.3
111.00921	0.3
121.02979	0.4
123.00892	1.1
123.04519	0.5
124.01749	0.3
125.02464	14.4
126.02783	0.5
137.02467	5.8
139.00407	0.3
139.04021	0.3
143.03551	0.4
149.02454	0.5
150.03191	0.3
151.00391	11.5
151.04012	0.8
152.01120	0.9
152.04784	2.0
159.04686	0.2
161.02415	0.6
161.04639	0.3
163.04010	0.5
164.04836	0.4
164.84009	0.2
165.01956	0.6
166.02733	40.7
167.03329	2.8
175.04056	0.9
176.04771	0.3
177.01921	1.8
177.05569	0.5
178.02679	0.2
179.03539	0.4
179.07201	0.3
181.05080	53.3
182.05377	2.9
184.03763	0.5
189.01985	0.3
190.02782	0.5
190.06319	0.7
191.03561	0.6
191.05641	2.3
192.04333	1.0
193.05069	0.7
195.03096	0.3
202.06410	0.2
203.03453	0.3
205.05101	0.9
205.08757	1.0
207.06708	0.8
209.04668	0.3
219.06743	0.5
220.07570	0.4
243.03012	0.8
271.02338	0.4
299.02051	2.0
300.02502	0.3
301.07327	0.3
305.08783	0.4
311.05722	0.3
329.10306	0.3
357.09659	0.5
359.11319	1.2
387.10721	9.0
388.11224	1.2
400.25699	0.3
402.08047	0.4
402.13214	6.2
403.13797	1.5
417.15564	100.0
418.15906	13.9
553.11627	0.3
561.19543	1.2
562.20319	0.3
579.20630	0.7
723.25208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42257	0.2
57.03437	0.5
59.01386	0.6
61.53734	0.2
65.00329	1.7
67.25227	0.2
68.99813	0.3
71.01376	0.6
79.76351	0.2
81.03466	0.9
83.01396	1.6
85.02951	0.5
87.00866	0.4
93.03462	0.7
94.91526	0.3
95.05021	0.3
101.02448	0.3
107.01407	2.0
107.05078	0.5
109.02978	1.5
119.05022	0.7
123.04547	7.2
125.02458	5.0
126.02807	0.4
131.05046	1.7
131.76604	0.2
133.02985	1.8
135.04567	1.6
137.02457	0.6
143.04965	0.3
145.06691	0.4
147.04552	1.1
149.02437	0.7
149.06088	0.9
151.00388	5.3
151.04012	2.5
153.02000	0.6
155.05064	1.8
157.02940	1.2
161.02472	0.6
163.04022	0.6
165.01891	0.3
167.03508	27.9
168.03882	1.2
171.04579	0.4
173.04599	0.5
173.06082	3.2
174.03186	0.9
174.06412	0.4
175.02498	0.5
175.04021	9.0
176.04350	0.7
177.01913	2.5
179.03535	1.0
187.03996	0.4
189.05672	0.3
191.03566	1.2
191.05615	5.7
193.05104	1.7
198.03142	0.3
199.04019	11.2
200.04333	1.0
201.01993	1.0
209.04395	0.4
215.03526	0.3
217.05055	4.5
218.05475	0.3
219.02940	0.6
233.04539	0.8
243.02966	39.4
244.03288	3.3
259.02463	0.7
261.04019	100.0
262.04382	7.7
289.07193	0.3
320.12961	0.3
329.08725	4.0
329.12082	0.2
330.09186	0.3
353.08572	0.7
385.11377	0.3
393.08279	31.6
394.08606	3.9
399.84052	0.2
691.18921	1.1
723.19916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48099	0.3
59.01376	0.8
60.99304	0.3
67.01891	0.4
69.83238	1.3
69.83671	1.0
71.01380	1.0
81.03476	0.6
83.05016	0.6
85.02957	6.8
85.03442	0.5
87.00889	1.5
89.03992	0.4
93.03463	4.4
95.05025	1.0
102.93404	0.3
105.03464	3.1
107.05041	2.2
109.02962	1.5
111.04547	2.5
121.02979	0.8
122.03769	0.6
123.04544	11.4
127.04001	1.9
133.02975	28.8
134.03839	2.4
135.04543	35.3
136.04868	1.9
137.02423	0.8
138.61984	0.3
139.03896	0.4
142.20660	0.3
149.02454	1.2
150.03029	0.4
151.04034	8.4
152.04359	0.5
155.03479	1.9
161.02460	2.7
171.03006	0.5
172.78619	0.4
173.04561	7.5
174.04956	0.3
175.03909	0.4
177.01941	13.8
178.02316	0.8
179.03514	34.5
180.03844	2.5
191.05623	100.0
192.05998	5.0
195.02995	16.4
196.03288	1.0
281.24857	0.3
353.08783	62.9
353.43158	0.4
354.09161	6.9
355.09296	0.4
369.08258	12.6
370.08713	1.3
531.12573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29003	0.2
57.03442	0.5
59.01381	1.0
60.99309	1.4
67.01894	3.4
69.03459	0.8
70.15243	0.8
71.01378	1.7
73.02933	0.3
81.03469	0.6
83.05019	0.7
84.07212	0.2
85.02960	6.3
86.98759	0.2
87.00882	5.4
89.33188	0.2
93.03469	23.5
94.03809	0.8
95.05029	0.4
98.19875	0.4
99.00906	0.5
99.04526	0.4
101.02463	0.3
105.03462	1.7
107.05054	0.4
109.02975	2.0
111.04541	4.3
111.79983	0.2
115.03980	0.4
121.02985	0.5
122.03757	0.2
123.04541	12.3
123.39848	0.2
124.04903	0.4
125.02394	0.2
127.04052	2.2
129.01952	0.5
133.02974	15.3
134.03319	0.6
135.04539	1.6
137.02435	0.6
139.03958	0.3
149.02452	0.7
150.03030	0.3
151.04054	1.2
153.02000	0.3
155.03548	1.2
161.02486	1.1
163.04092	0.2
171.03021	0.6
173.04570	15.9
174.04907	0.6
177.01944	10.7
178.02274	0.5
179.03485	0.8
191.05626	100.0
192.05974	4.2
193.01517	0.3
195.03000	6.0
196.03307	0.3
207.05054	0.2
208.03900	0.2
215.05634	3.4
216.05928	0.2
219.03004	0.3
307.08148	0.4
351.07236	10.8
352.07639	1.1
353.08804	8.3
354.09256	1.5
369.08273	32.6
370.08600	3.8
531.11224	0.3
723.18097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.8
67.05472	1.3
71.01394	4.7
78.95911	1.2
80.02667	1.2
81.03480	1.9
83.05032	2.3
85.02966	2.1
87.00880	1.3
89.02447	3.4
97.02968	6.2
97.06581	0.9
99.00916	1.4
101.02452	3.8
106.73321	0.9
107.05096	1.2
109.05874	2.0
109.06610	33.4
110.03707	0.9
113.02438	1.5
119.03493	1.0
121.06590	1.4
128.40385	0.9
135.08153	2.8
142.02742	2.4
151.04109	1.1
152.99579	1.5
154.35782	1.0
161.04536	1.4
163.11317	17.4
164.11601	1.1
179.05612	1.0
181.12379	2.9
189.09239	3.5
207.10272	100.0
208.10596	7.6
209.11981	1.6
221.08205	2.8
225.11343	36.8
226.11674	2.4
235.08257	3.2
253.09309	13.1
277.21729	74.6
278.22073	7.7
299.14935	2.6
358.31378	1.0
360.19412	1.1
361.20004	1.6
441.34039	1.4
443.19379	4.6
449.80203	0.9
461.20328	12.9
462.20761	1.5
487.19412	1.2
637.35748	1.0
721.41901	36.3
722.42206	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	722.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98831	100.0
62.98532	0.3
62.99239	0.1
63.99255	0.5
68.23943	0.1
71.01399	0.6
71.71036	0.1
71.71427	0.1
78.95940	0.1
80.96529	0.3
83.05057	0.1
85.02990	0.1
88.98808	0.1
91.50277	0.1
94.98130	0.2
96.96057	0.1
101.02472	0.2
109.06622	0.2
125.02470	0.2
134.35251	0.1
171.10263	0.3
183.13925	0.1
191.05551	0.4
197.11858	0.4
200.69997	0.1
207.10258	0.5
209.11823	0.8
210.12196	0.2
211.13463	0.4
212.13940	0.2
215.77643	0.1
225.11369	0.2
227.12943	0.2
228.31454	0.1
253.09297	0.2
273.17172	0.1
289.07391	0.1
461.19998	0.1
577.62695	0.1
669.30469	0.1
698.12164	0.1
722.32178	0.4
723.33167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00620	0.6
58.08663	0.5
58.76446	0.5
59.01382	6.7
59.35706	0.5
61.98833	17.2
69.03441	1.1
71.01385	8.8
71.05029	3.1
71.72415	0.5
72.99303	0.6
73.02956	1.4
79.95733	1.1
80.02701	1.2
80.96524	5.9
81.03464	2.0
83.01400	1.2
83.05035	5.0
84.02164	0.7
85.02966	2.2
87.00900	2.7
89.02451	3.0
93.03460	1.4
94.98105	1.3
95.01387	1.2
95.05036	2.3
96.96022	0.6
97.02969	3.5
97.06595	3.3
99.00896	18.0
100.36172	0.6
101.02459	4.5
104.51683	0.5
106.04188	0.6
109.02950	1.1
109.06607	1.7
111.04514	0.9
113.02454	3.2
119.03522	0.8
121.28635	0.5
123.04549	1.1
123.08171	1.3
125.02483	3.0
125.09731	6.6
127.11297	1.2
133.02907	0.7
134.03728	0.5
135.04562	0.8
135.08318	1.1
137.02451	1.9
142.02704	0.6
149.02490	0.6
150.03221	0.7
151.04054	1.0
152.98723	0.6
153.12863	1.5
155.14432	0.7
161.02438	0.8
161.04527	1.6
161.09717	0.6
163.11319	13.9
164.11703	1.1
164.98616	1.5
165.01920	1.1
165.12872	1.9
169.12456	0.8
171.10287	18.7
172.10553	1.8
173.04576	0.9
177.01910	1.0
178.02724	1.1
181.12360	19.0
182.12729	1.0
191.05658	8.3
191.10793	0.7
192.06061	0.7
197.11813	3.5
199.09698	0.9
199.13387	9.4
207.08313	1.2
207.10277	24.0
208.10626	2.3
209.11844	60.5
210.12169	4.5
211.13254	1.1
225.00793	2.1
225.11333	39.3
226.11636	3.1
227.12837	6.6
235.08250	1.7
243.12376	19.8
244.12787	2.0
253.09370	4.4
283.13165	0.5
285.04196	0.7
289.07153	1.3
317.15997	0.7
366.04770	0.6
400.12924	0.6
407.19113	1.1
445.20694	1.4
459.07269	1.2
460.07739	0.7
461.20334	2.5
479.21286	5.7
480.21716	0.8
501.08328	0.7
515.28528	2.3
541.11102	0.7
634.24280	0.7
671.32678	2.6
672.33600	0.8
689.34125	100.0
690.34381	23.0
721.17957	10.8
721.32281	6.7
721.35071	6.5
722.18719	3.1
722.29559	0.7
722.37158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.0
55.01867	0.9
57.03456	0.9
59.01378	7.6
60.78426	0.5
61.98833	5.9
66.40401	0.5
68.38392	0.5
68.99836	0.6
69.03432	0.9
69.12231	0.5
70.48951	0.6
71.01386	100.0
71.05009	0.6
72.01716	1.7
72.99294	0.7
73.02947	2.6
79.95802	0.5
80.02679	2.1
80.96526	1.2
81.03468	2.6
83.01395	1.1
83.05037	6.6
84.02173	1.4
85.02956	2.2
85.81010	0.5
87.00874	1.1
89.02465	3.7
90.23294	0.5
93.14314	0.6
95.05035	1.4
97.02949	3.7
97.06590	1.1
99.00874	1.4
101.02475	4.1
107.04992	0.6
109.06600	12.9
110.03761	1.0
111.08210	0.8
113.02464	3.3
119.03509	1.0
123.08183	0.6
125.02431	0.7
125.06087	0.7
125.09750	2.4
127.11281	0.6
135.08174	1.9
136.05350	0.9
142.02812	0.6
143.03482	0.6
149.09717	0.6
151.04030	0.5
155.10751	0.7
161.04599	1.6
161.09764	0.8
163.11314	12.2
164.11653	0.8
165.12837	3.3
171.10280	15.8
171.11667	1.1
179.10788	0.9
181.12372	4.3
185.11850	2.5
189.09155	0.8
191.05630	0.8
191.10767	1.9
197.11810	0.8
199.09724	1.4
199.13368	0.8
201.11343	7.3
207.10277	35.5
208.10638	3.2
209.11850	93.3
210.12187	11.5
211.12460	1.9
215.12813	0.8
225.11328	26.3
226.11642	2.0
227.12901	10.5
228.13202	1.3
229.47305	0.7
235.08250	2.8
243.12384	2.5
249.11281	1.1
253.09288	10.4
254.09482	0.8
265.14487	0.7
269.23981	0.6
273.17078	5.8
274.17413	5.7
275.17709	2.8
377.15994	0.5
399.21756	2.6
417.22742	1.8
443.19299	1.5
461.20200	7.2
462.20557	0.7
479.08975	0.7
479.21890	0.7
635.30328	1.7
653.31183	2.5
654.32629	0.7
671.32764	4.7
672.33441	2.1
689.34729	3.4
721.34558	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	721.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13592	0.3
57.03441	0.5
58.00620	0.3
59.01378	2.1
61.98834	24.5
63.62696	0.3
63.96243	1.8
63.99253	0.4
66.42411	0.3
69.03436	0.9
71.01389	11.4
71.71803	0.6
73.02950	2.1
77.87845	0.3
77.99014	0.3
78.95927	0.3
78.98597	6.0
79.95746	13.2
80.28773	0.3
80.96526	74.2
81.03461	0.7
83.01374	0.6
83.05022	0.9
85.02955	3.7
87.00896	3.5
88.98821	0.8
89.02448	0.4
94.98103	17.3
95.01420	0.5
96.96008	1.8
97.02954	1.7
99.00910	1.0
99.04510	0.5
101.02455	2.9
106.98097	3.6
109.02944	0.5
109.06601	1.0
113.02448	0.6
118.29667	0.3
122.97611	3.3
125.02473	4.4
127.04050	1.5
127.11347	0.5
134.97604	5.9
136.99133	1.8
137.02495	0.5
148.97983	0.4
148.99159	6.3
152.98651	6.9
161.02426	0.5
161.04500	0.5
161.94389	0.3
163.11307	1.0
164.97281	0.6
164.98663	13.1
165.12872	0.4
165.99014	0.3
167.00218	0.4
171.10231	1.8
181.12363	0.5
187.04086	0.3
191.05661	2.0
197.11848	1.4
199.13518	0.4
201.11369	0.6
206.99712	3.4
207.10297	2.0
208.10690	0.4
209.11859	8.2
210.12158	1.4
211.13409	3.5
215.12920	0.5
225.00757	24.5
225.11342	1.8
226.01027	1.4
227.12923	1.6
235.08234	0.5
239.12967	0.5
253.09290	1.1
273.17154	0.4
283.04947	0.8
321.48099	0.3
396.79538	0.3
493.17590	2.7
509.16852	1.6
604.55682	0.3
671.32751	0.5
721.31244	100.0
722.31592	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98538	0.2
70.29195	0.3
71.01397	0.1
78.51205	0.1
80.02770	0.1
80.96525	0.1
88.88612	0.1
98.20570	0.1
209.11899	0.3
210.12175	0.1
211.13464	0.5
212.13783	0.2
253.09344	0.1
544.94342	0.1
647.98865	0.1
720.31061	0.1
721.30121	0.1
746.82819	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	720.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86269	0.1
59.01371	0.3
61.98832	100.0
62.98531	0.3
62.99252	0.1
63.99259	0.1
66.58162	0.1
67.59920	0.1
71.01395	0.6
71.71936	0.1
71.72327	0.1
77.83962	0.1
78.95932	0.1
79.95728	0.2
80.96519	0.9
83.05022	0.1
85.03001	0.1
87.00897	0.2
89.02438	0.2
92.47807	0.1
94.98137	0.3
96.96017	0.2
101.02467	0.2
113.02444	0.1
116.92921	0.1
125.02496	0.3
148.99063	0.1
152.98608	0.1
163.11368	0.1
164.98682	0.1
169.12389	0.4
171.10332	0.3
177.74794	0.1
183.04863	0.1
185.11952	0.1
191.05617	0.2
197.11797	0.2
207.10342	0.2
209.11844	3.1
210.12173	0.9
211.13419	1.3
212.13690	0.2
225.00841	0.2
225.11287	0.2
227.12886	0.5
235.08264	0.2
236.84048	0.1
239.12947	0.1
253.09325	0.4
273.17053	1.3
274.17377	0.6
289.07336	0.1
443.30017	0.1
617.32666	0.1
660.34082	0.1
703.36511	0.2
720.30090	0.9
721.31036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85929	0.3
53.58554	0.3
55.01859	0.5
57.03438	1.2
57.11757	0.4
58.00558	0.4
59.01381	5.6
61.98833	31.6
67.01909	0.4
69.03456	4.1
71.01388	6.1
71.03680	0.5
71.04041	0.8
71.05026	2.2
73.02925	1.1
79.95749	0.6
80.02662	1.2
80.96524	4.0
81.03452	1.8
83.01402	0.6
83.05037	6.4
84.02165	1.0
85.02950	2.2
87.00883	1.4
89.02454	3.1
89.36002	0.4
94.98099	1.1
95.01398	0.6
95.05016	1.2
96.96037	0.5
97.02942	0.7
97.06587	1.0
97.87122	0.3
99.00873	0.7
101.02450	5.5
109.06597	0.7
111.00906	0.5
113.02482	1.7
119.03510	1.0
119.77190	0.3
123.04578	0.4
123.08163	1.2
125.02459	1.2
125.06092	0.7
125.09743	3.0
132.65587	0.3
135.08145	0.8
143.03499	0.5
145.05096	0.5
149.09834	0.5
151.11305	2.5
153.12877	1.8
161.04587	1.7
161.09747	5.2
163.11305	4.5
164.98593	0.6
165.12843	2.0
171.10283	1.2
179.05569	0.5
179.10796	8.8
181.12367	0.8
185.11874	0.8
191.05591	0.5
191.10799	1.4
197.11842	65.3
198.12216	3.9
199.13358	0.5
207.10301	0.5
209.11844	72.4
210.12175	5.4
211.13339	0.4
213.11313	0.5
223.09724	1.1
225.00801	1.1
225.11319	0.8
227.12910	5.6
228.13202	0.4
235.08275	0.6
237.14969	0.7
241.10797	3.4
253.09291	4.7
273.17099	0.9
288.02887	0.5
475.06558	0.4
477.19968	1.4
669.31671	0.5
687.32532	100.0
688.20667	0.7
688.32861	20.9
719.35565	24.7
720.36023	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	719.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01127	0.5
59.01384	5.6
69.50893	2.0
69.51311	1.9
71.01385	5.2
85.02960	0.8
89.02455	8.8
95.09985	0.4
98.19897	0.7
101.02472	2.9
113.02475	3.1
119.03519	3.4
131.03455	0.7
143.03552	0.9
149.04520	0.4
161.04601	0.8
179.05624	4.2
197.02171	0.7
198.02669	0.4
215.03310	3.8
316.61609	0.4
341.10898	17.4
342.11285	1.7
364.04950	0.4
371.50049	0.4
377.08572	100.0
378.04517	0.6
378.08926	6.8
390.77585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11602	0.5
54.38655	0.6
57.03437	1.1
58.92820	0.5
59.01379	9.8
61.98831	18.0
63.69814	0.5
69.03441	1.4
71.01387	9.5
71.72209	0.9
71.72607	0.7
72.99289	1.0
73.02950	2.5
79.95731	1.3
80.02669	1.6
80.96523	6.3
81.03450	2.0
83.01369	1.7
83.05029	7.3
84.02162	1.2
85.02934	2.4
87.00861	2.0
89.02444	4.7
93.03454	0.6
94.98049	1.5
95.01334	0.8
95.05020	1.1
96.95981	0.9
97.02947	1.7
97.06567	1.3
99.00896	0.7
101.02464	6.5
109.02950	1.1
109.06585	0.8
111.00831	0.6
111.04504	0.9
113.02455	3.2
113.03107	0.5
116.92930	0.7
119.03510	1.4
123.04545	1.1
125.02470	3.2
125.06065	1.2
125.09698	1.0
134.97516	0.7
135.04509	0.6
137.02415	1.0
143.03484	0.9
151.00380	0.6
151.04025	0.6
151.11360	2.5
153.12813	0.9
155.10767	0.7
161.02444	0.6
161.04555	2.4
163.11288	5.9
164.98643	1.3
165.01956	0.6
165.12886	3.2
169.12361	31.9
170.12698	2.2
171.10278	3.3
176.04112	0.5
177.09120	1.0
179.10774	1.2
181.12378	1.3
185.11821	2.0
191.05632	4.0
191.10811	1.9
195.06729	0.7
195.10298	4.8
197.11839	59.1
198.12239	3.1
201.11446	0.6
205.08649	0.8
207.10306	0.8
209.11841	100.0
210.12189	7.0
211.13301	0.6
213.11285	2.9
223.09772	1.8
225.00757	2.2
225.11264	0.7
227.12923	9.1
228.13266	0.8
235.08218	1.1
241.10811	1.2
253.09259	6.8
289.06921	0.5
333.90842	0.5
359.07800	0.6
379.50189	0.6
445.21158	0.9
513.27222	3.3
514.27289	0.7
669.31793	0.9
687.32550	61.2
688.32849	13.3
688.43817	1.1
719.35468	68.6
720.35889	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	717.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
61.98834	11.7
62.32335	0.2
69.03454	0.3
69.51376	0.7
69.51787	1.9
71.01389	2.6
73.02948	0.9
80.02684	0.7
81.03459	0.8
83.01385	0.5
83.05035	3.0
84.02174	0.4
85.02971	0.9
87.00890	0.8
89.02448	2.0
95.05042	0.6
101.02449	2.5
113.02463	1.1
119.03545	0.4
125.06071	0.4
135.08130	0.4
143.03464	0.3
161.04602	0.8
163.11281	2.2
165.12868	2.0
167.14485	0.6
171.10277	0.6
179.05679	0.5
181.12332	0.5
183.13916	6.2
184.14276	0.6
191.10788	1.0
193.12341	1.9
209.11842	64.4
210.12180	4.5
211.13405	100.0
212.13741	6.9
227.12903	10.6
228.13132	0.5
235.08226	3.6
253.09282	6.8
273.17108	0.5
277.37558	0.3
328.38956	0.3
403.24820	0.4
429.21051	0.6
445.20663	1.4
447.22382	8.6
448.22656	1.3
535.47363	0.3
592.00330	0.3
621.33057	1.0
639.34570	0.7
657.35333	0.5
718.40540	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	718.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74516	0.1
59.01374	0.3
61.98833	100.0
62.98537	0.2
62.99252	0.1
71.01385	0.2
71.08014	0.1
71.71432	0.1
74.96859	0.1
78.95930	0.2
80.96535	0.1
83.05065	0.1
85.02987	0.1
88.98843	0.1
89.02454	0.1
97.03006	0.1
101.02462	0.1
161.04602	0.1
163.11322	0.1
163.57147	0.1
169.12323	0.1
171.10352	0.1
179.10814	0.1
183.13928	0.2
193.12491	0.1
195.14026	0.1
197.11841	0.7
199.13414	0.4
207.10275	0.4
209.11876	0.9
210.12206	0.3
211.13420	2.0
212.13774	0.1
227.12949	0.7
235.08311	0.1
239.12947	0.5
253.09233	0.3
261.07205	0.1
273.17050	0.8
273.19510	0.1
293.21201	0.3
311.22195	0.1
327.08670	0.1
433.20673	0.1
447.22357	0.1
627.33649	0.1
700.38281	0.1
718.40558	0.4
719.39587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.1
57.41159	0.1
59.01369	0.3
61.98834	100.0
62.98536	0.2
66.06366	0.1
71.01387	0.6
71.72372	0.1
78.95911	0.4
80.96549	0.1
88.52643	0.1
88.61252	0.1
88.98868	0.1
89.02459	0.1
99.88062	0.1
101.02470	0.2
101.29827	0.1
109.06614	0.2
113.02437	0.2
116.92904	0.2
142.55141	0.1
148.66402	0.1
161.04597	0.1
163.11331	0.2
165.12914	0.1
171.10356	0.2
178.97488	0.1
185.11884	0.1
191.05643	0.2
197.11847	1.4
197.13531	0.1
198.12172	0.2
199.13489	0.3
207.10289	0.8
209.11864	1.3
210.12289	0.2
211.13432	2.2
212.13806	0.2
225.11485	0.2
227.12874	0.7
239.12976	0.3
241.14563	0.6
242.14917	0.4
245.08240	0.1
253.09337	0.3
273.17023	0.7
297.25714	0.1
311.22400	0.1
447.22488	0.2
527.03821	0.1
528.62524	0.1
547.33191	0.1
640.34595	0.1
641.85870	0.1
658.35791	0.1
718.39478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
68.61011	0.3
70.19962	0.7
70.20377	1.3
71.01410	1.7
71.01717	0.3
73.02956	0.5
79.05535	0.7
81.03460	1.5
85.02956	0.8
91.01907	0.9
93.03498	0.9
96.95998	0.6
101.02460	0.8
111.04517	1.2
113.02452	0.5
121.10255	5.1
122.03764	1.3
123.08179	6.4
137.02481	0.4
137.82802	0.4
147.08214	0.8
155.03525	0.8
161.04675	0.4
165.09224	100.0
166.09573	5.8
191.05673	0.7
191.07149	10.2
191.29189	0.3
192.07549	0.4
199.04195	0.9
207.10181	0.6
209.08214	5.9
210.08418	0.6
213.09261	0.7
214.08786	0.7
240.10371	0.4
257.06754	0.6
257.09314	7.9
258.09628	0.8
269.04755	0.4
283.10828	1.7
309.99539	0.4
343.23026	0.4
345.10968	1.8
355.08469	1.0
371.13483	98.0
371.43909	0.4
372.13834	10.8
717.18799	4.2
718.19153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27632	0.7
59.01387	5.2
61.98821	2.3
65.00323	2.9
70.47816	1.9
70.48209	2.3
83.01377	1.7
97.99471	0.7
107.01392	2.6
109.02966	2.8
121.04006	0.8
123.67001	0.8
125.02438	4.0
131.05023	2.8
133.02972	2.0
147.04521	0.9
151.00389	6.9
151.04022	3.7
153.01939	2.0
155.05048	3.2
157.02953	2.5
161.02451	1.9
173.06084	4.5
175.03999	13.1
176.04305	1.0
177.01942	4.5
191.03601	1.9
193.05083	2.5
197.11794	2.0
198.03192	1.8
199.04015	23.9
200.04272	1.6
201.01959	3.5
203.03653	0.7
215.03450	1.6
217.01591	0.9
217.05055	7.0
219.02951	0.8
227.03564	1.1
233.04449	1.7
241.05374	1.0
242.02219	1.6
243.02971	84.9
244.03290	5.4
257.04495	1.0
259.02338	4.3
260.03232	1.8
261.04025	100.0
262.04321	7.7
272.03821	0.8
285.03934	2.1
289.07297	1.0
303.05096	12.1
327.08621	0.9
357.06183	1.9
375.07205	6.3
375.21915	0.9
417.08249	14.6
435.09363	4.2
459.09238	7.5
460.09460	1.1
477.10376	46.8
478.10812	5.6
519.11407	84.7
520.11749	11.8
717.31531	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	716.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46189	0.2
52.92382	0.2
57.03482	0.2
58.93987	0.2
59.01369	0.2
61.98834	100.0
69.75117	0.3
69.75516	1.2
71.01395	0.3
72.93170	0.2
74.24178	0.2
75.45425	0.1
113.02470	0.2
123.04535	0.2
182.68935	0.2
209.11920	0.5
211.13501	0.3
220.80362	0.2
255.23300	0.3
256.23651	0.2
277.14624	0.5
289.07349	0.2
293.21283	0.3
383.24918	0.3
398.13916	0.3
399.13962	0.3
400.14349	0.3
427.24698	0.2
716.41144	0.2
717.33722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49435	0.2
55.01882	0.4
57.03451	0.6
58.00595	1.2
59.01381	30.2
60.01722	0.3
62.45987	0.2
70.04208	0.2
71.01388	19.8
71.70602	0.4
72.01733	0.4
72.99319	1.5
73.02961	0.6
83.01384	1.4
85.02963	3.6
87.00903	0.8
89.02455	21.0
90.02785	0.3
95.01398	1.4
99.00916	0.2
99.04514	0.2
99.08170	0.4
101.02459	13.4
102.02836	0.2
107.01472	0.3
108.02210	0.8
109.02976	0.3
113.02462	7.0
114.02795	0.3
119.03516	9.0
120.03815	0.2
123.04523	0.4
125.02475	0.7
130.94237	0.2
131.03506	0.7
135.04556	0.7
136.62291	0.2
137.02463	0.2
143.03523	0.7
143.07170	0.3
149.04623	0.3
151.00357	0.3
151.03984	0.3
151.07645	1.6
152.01137	1.6
152.08020	0.8
161.04588	0.7
161.08189	0.7
163.04047	0.6
167.03508	2.8
168.03796	0.2
173.04654	0.4
173.06110	0.3
175.04018	0.6
179.03488	0.6
179.05617	0.7
191.05615	2.9
192.06152	0.2
199.04037	1.0
217.05048	0.4
243.02979	2.4
261.04031	4.0
262.04178	0.4
289.07275	0.2
312.34988	0.2
323.13480	100.0
324.13803	8.4
339.49228	0.3
353.08710	0.8
357.12030	1.1
358.12186	0.9
359.12421	0.7
391.15750	0.2
393.08246	1.1
715.91119	0.2
717.17828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98831	100.0
62.98541	0.2
71.01397	0.2
78.95940	0.1
89.02462	0.2
89.05872	0.1
91.09653	0.1
99.01005	0.1
101.02483	0.1
111.04578	0.1
115.15676	0.1
125.02462	0.1
165.96530	0.1
180.15048	0.1
207.10538	0.1
208.07440	0.2
221.08232	0.2
228.17024	0.1
229.56633	0.1
255.23398	0.3
256.23755	0.3
257.23941	0.1
274.09183	0.1
277.14352	0.2
292.18063	0.1
359.18561	0.1
397.13919	0.1
398.13794	0.3
399.14182	0.4
400.14484	0.2
427.24619	0.1
429.26810	0.1
717.32721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64078	0.4
57.03447	0.4
59.01383	5.2
61.98836	6.7
71.01373	2.7
71.72319	0.8
71.93613	0.5
72.99306	0.6
78.95901	0.6
80.02676	0.8
81.03448	1.1
83.01409	0.6
83.05051	3.3
84.02168	0.5
85.02956	1.2
87.00885	1.1
89.02430	2.1
95.05042	0.9
97.02961	1.0
97.06600	0.5
99.00858	0.5
101.02453	3.2
109.06600	3.6
113.02474	1.2
116.36302	0.5
125.02499	0.4
125.09700	1.1
134.03812	0.7
135.04504	0.4
135.08179	0.8
137.02490	0.5
161.04591	0.9
163.11290	3.7
163.96031	0.4
165.12871	1.6
171.10283	1.0
179.05606	0.6
181.12357	1.0
183.13939	1.5
185.11856	0.7
187.09901	0.5
191.05571	1.1
191.10805	0.5
193.12418	0.7
207.10295	9.0
208.10603	0.6
209.11839	100.0
210.12144	7.3
211.13400	22.1
212.13737	1.4
223.13399	0.6
225.11319	4.4
227.12904	8.1
228.13127	0.5
235.08182	2.5
240.96002	0.5
253.09297	6.7
273.17441	0.4
293.21045	0.6
307.98218	0.4
311.22070	0.5
373.23965	0.7
383.22269	1.3
391.24841	0.5
397.46149	0.4
401.23547	2.5
402.23920	0.4
419.24265	1.4
443.19266	0.7
443.61426	0.5
445.20917	2.8
447.22092	0.8
461.20374	1.2
609.32690	0.6
619.31055	0.5
637.32367	7.0
638.32703	1.8
648.61517	0.5
655.33569	5.2
656.34448	0.9
657.79498	0.5
715.27588	1.7
715.39703	0.9
716.37921	1.0
726.11877	0.5
726.24139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56459	0.7
57.03443	1.3
59.01383	19.1
60.01665	0.8
61.98834	27.1
63.51974	0.6
71.01390	8.3
71.71555	1.3
73.02945	2.4
75.93559	0.7
80.02710	1.2
81.03462	2.5
83.01357	1.4
83.05042	3.0
85.02964	3.9
87.00878	2.5
88.98811	1.1
89.02467	4.7
95.01408	1.1
95.05048	1.7
97.02949	5.4
97.06606	3.3
99.00874	1.6
101.02449	6.4
107.05039	1.0
109.06606	21.1
110.03741	0.9
113.02458	3.5
119.03519	1.1
121.06636	1.0
123.08141	0.9
125.02469	1.4
125.09734	10.6
135.08238	1.9
136.05324	0.9
142.02710	1.1
145.05084	1.3
161.04568	2.5
161.09706	1.3
163.11307	13.0
165.12810	1.3
171.10309	3.8
179.10693	0.8
181.12338	3.3
183.13901	9.3
185.11836	1.4
187.09741	6.6
189.09232	1.7
191.05624	2.1
193.12350	2.4
197.11870	2.8
207.10280	55.0
208.10634	3.8
209.11859	10.0
211.13406	100.0
212.13779	8.8
213.14731	0.9
223.13350	1.5
225.11333	24.4
226.11748	1.7
227.12900	2.7
235.08243	6.1
253.09290	10.6
254.09554	0.8
289.06766	1.0
299.15091	1.1
339.23309	2.6
341.06491	0.9
355.22821	1.0
373.23807	4.7
383.22147	3.9
391.24835	3.0
401.23343	11.3
402.23749	2.2
416.14780	0.8
419.24255	3.5
443.19031	3.2
447.22354	6.5
461.20227	8.1
508.35428	0.8
535.43500	0.8
609.33160	2.2
619.31427	3.2
620.32318	1.2
637.32404	35.1
638.32861	8.0
655.33441	34.4
656.33820	9.6
715.27814	1.3
715.39343	14.4
716.39575	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	715.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66488	0.1
55.01878	0.2
57.03439	0.3
59.01383	0.9
61.98833	0.2
67.38080	0.2
71.01386	1.7
71.72215	0.2
73.02944	0.3
79.05534	0.6
81.03461	1.4
83.01402	0.4
85.02950	1.0
87.36082	0.2
89.02464	0.3
91.01874	0.9
93.09199	0.2
93.09776	0.2
101.02448	0.7
111.04536	0.2
113.02445	0.4
121.03001	0.2
121.10254	5.0
122.03773	1.3
122.10619	0.2
123.04586	0.4
123.08185	5.4
124.08488	0.3
125.02463	0.6
137.02454	0.7
137.06110	0.2
147.08162	0.7
164.08466	0.3
165.09224	100.0
166.09561	6.7
181.05032	0.7
191.03560	2.3
191.05696	0.5
191.07153	11.2
192.07520	0.7
195.06680	0.2
207.10260	0.5
208.07487	0.3
209.08203	6.0
210.08516	0.3
233.08203	0.2
251.09358	0.3
321.15314	0.3
326.20078	0.2
342.93118	0.2
350.59586	0.2
369.11038	0.2
371.13483	91.6
372.13803	10.9
373.09308	0.2
405.06940	0.2
485.86734	0.2
600.07361	0.2
715.17230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30582	0.8
59.01366	0.8
68.05961	0.8
70.01942	4.3
70.02353	1.6
81.03450	2.1
83.05034	3.6
85.09800	1.0
87.00890	1.2
93.03476	12.0
109.02979	1.8
111.04538	20.7
113.00547	0.9
117.89000	0.9
127.03966	1.0
128.48407	0.9
133.02954	1.3
134.03749	2.8
135.04553	18.1
136.04889	2.0
137.02478	4.4
155.03522	16.6
161.02464	6.0
165.09221	2.2
173.04520	1.6
179.03476	6.9
181.03276	1.0
191.05634	3.7
199.04207	12.4
217.05238	4.1
259.06213	2.2
269.04755	11.0
287.05707	2.0
305.02667	0.8
309.07983	3.3
311.05560	0.8
311.09131	1.0
327.08762	1.0
337.07626	2.0
354.08551	1.3
355.04062	1.5
355.08447	26.6
356.08817	2.6
361.07358	3.9
371.09683	1.2
371.13574	1.3
373.09549	24.9
374.09573	2.2
391.10461	7.1
535.12671	6.7
536.13153	2.4
552.14099	1.2
553.13721	20.0
554.14172	2.6
715.17120	100.0
716.17444	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	715.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76561	0.3
54.22025	0.3
59.01383	0.9
59.02397	0.4
62.22742	0.3
63.98023	0.3
65.03987	0.4
66.03449	0.3
68.99776	0.3
69.03459	0.7
69.68199	3.0
71.01343	0.6
71.36103	0.3
75.00845	0.5
81.03463	2.1
83.05034	8.5
85.02946	0.8
87.00887	1.4
93.03470	12.9
94.03844	0.6
98.20692	0.6
99.04546	0.5
107.05043	0.8
109.02969	2.1
111.04533	28.7
112.04858	1.6
113.00526	0.6
113.02449	0.5
117.03432	0.5
125.02467	0.7
127.04020	0.8
133.02951	1.1
134.03769	3.5
135.04541	27.6
136.04863	2.3
136.81972	0.3
137.02480	3.2
137.04137	0.5
143.03523	0.4
144.24345	0.4
151.03981	0.4
153.03796	0.4
155.03525	23.6
156.03851	1.2
159.02594	0.8
161.02452	2.9
161.04086	2.3
163.04099	0.6
166.17471	0.4
166.66907	0.3
173.04562	2.4
177.83759	0.4
179.03528	12.3
180.03851	0.9
181.03178	0.7
191.05620	7.6
198.04533	0.8
199.04195	16.6
205.03143	3.8
209.96030	0.4
217.05226	2.7
225.15565	0.4
241.05193	0.8
255.12456	0.4
259.06262	2.8
261.04053	1.2
268.05090	0.4
269.04703	7.9
270.04944	0.5
287.05710	1.4
289.07159	0.6
297.04138	0.7
298.04974	0.8
299.11081	0.5
309.07925	1.3
311.05753	0.7
311.09238	0.6
317.08487	0.6
333.07809	0.5
337.07452	1.7
353.08798	1.5
354.08850	1.9
355.08447	35.5
356.08743	3.9
361.07367	9.9
362.07578	1.0
367.10373	0.5
372.09872	1.3
373.09500	20.1
374.09811	2.4
379.08612	0.6
390.10962	0.5
391.10529	7.9
392.10654	0.6
448.47485	0.4
449.08698	0.5
517.11188	0.4
535.12567	6.5
536.12988	1.0
553.13715	9.4
554.14038	1.6
715.17108	100.0
716.17395	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12923	0.3
51.38566	0.3
55.01873	1.0
57.03436	0.8
58.00596	1.6
59.01379	24.6
60.01736	0.3
60.58879	0.3
68.99835	0.4
69.03457	1.7
69.25617	0.3
71.01386	25.6
72.99316	1.8
73.02953	4.2
75.00873	0.9
81.03457	1.2
83.01395	3.4
83.05056	0.4
85.02952	4.6
87.00880	5.6
89.02453	20.6
91.04052	0.4
91.69155	0.3
93.03481	0.6
95.01398	1.9
97.02958	4.9
99.00890	1.6
99.04549	0.4
101.02454	19.5
102.02778	0.4
103.00448	0.3
109.02970	0.5
111.04531	1.1
113.02462	9.1
114.02801	0.4
119.03512	5.0
123.00822	0.3
125.02461	8.1
127.03960	0.4
131.03505	1.0
133.05086	0.6
139.04022	1.2
141.01944	0.4
143.03537	3.9
146.68028	0.3
149.04527	0.9
161.04572	4.8
167.03499	0.7
169.05035	0.6
179.05638	3.9
185.04587	0.3
191.05640	0.5
193.10678	0.3
199.06097	0.5
217.07030	0.5
221.06638	1.8
229.62848	0.4
235.08238	10.8
236.08577	0.7
245.06664	0.6
253.09280	1.6
255.23283	69.1
256.23593	7.4
263.07721	0.7
287.07776	3.2
305.08810	3.7
323.09836	1.0
379.12433	0.9
381.82913	0.3
397.13516	100.0
398.13840	8.3
398.19046	0.4
415.14557	26.3
416.14838	2.4
653.37659	5.7
654.37817	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	713.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03456	1.1
58.00589	1.1
59.01382	27.6
61.98826	1.9
63.82584	0.5
64.59122	0.4
66.55811	0.6
68.05670	0.6
69.03452	1.3
69.09900	0.5
71.01387	25.3
71.73381	1.0
72.99313	2.6
73.02943	4.1
73.15733	0.5
81.03456	0.5
83.01391	3.3
85.02946	5.3
87.00882	5.6
88.80061	0.6
89.02455	22.5
91.04036	0.7
95.01403	1.7
97.02988	3.7
99.00893	2.1
101.01791	1.2
101.02451	20.6
111.04523	1.2
113.02458	10.7
115.04025	0.7
116.92867	2.1
119.03523	5.2
123.04642	0.6
125.02470	8.3
131.03520	1.2
132.10851	0.6
133.05098	0.6
137.02449	0.5
139.04048	0.6
141.02008	0.7
143.03510	2.9
161.04573	4.4
167.96873	0.6
179.05580	3.4
199.22287	0.6
221.06680	1.7
235.08217	9.4
239.37001	0.5
253.09196	1.3
255.23296	66.8
256.23596	6.0
260.83734	0.6
263.07736	1.0
287.07663	2.4
305.08780	3.3
323.10037	0.6
330.57767	0.7
397.13528	100.0
398.13895	8.3
415.14590	30.3
416.14819	2.5
653.37701	6.8
654.37738	0.9
728.52948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82496	0.3
57.03439	0.7
58.99342	0.3
59.01377	16.7
61.98824	1.2
67.01861	0.3
69.03458	1.9
71.01382	3.7
71.05021	0.6
73.02954	0.7
74.42805	0.3
78.95919	0.4
83.01409	0.4
83.05018	0.4
85.02957	1.5
85.06605	0.5
87.00894	1.2
89.02443	2.9
93.03455	3.3
95.01369	0.3
95.05016	0.7
97.06622	0.7
98.19926	1.0
99.00856	0.4
101.02454	3.6
109.06617	0.4
111.04524	0.9
113.02486	1.8
119.03507	0.9
123.08164	0.6
125.02465	0.5
125.09750	1.8
133.02974	0.9
135.04555	0.8
135.11800	0.5
141.09247	0.3
149.09740	0.4
155.10623	0.3
161.04547	1.3
161.05962	0.6
167.10788	2.8
167.14479	0.5
173.04556	1.4
177.01942	0.4
177.12814	0.5
179.05591	0.9
179.10788	0.9
179.14406	2.4
183.10432	0.3
183.13902	5.9
185.11839	0.5
187.04076	0.4
187.09805	0.8
191.05647	3.6
193.12375	1.5
195.13907	8.2
196.14328	0.4
201.11415	0.5
205.12320	6.8
206.12686	0.7
209.11809	0.7
211.13397	100.0
212.13748	6.8
215.03479	1.3
215.05428	0.4
223.13393	74.9
224.13745	5.6
233.04543	1.4
235.08153	3.7
253.09271	7.1
254.00705	0.3
254.09621	0.5
277.21613	0.7
293.21271	0.8
351.07278	1.7
352.07440	0.4
361.20374	2.0
392.43884	0.3
397.13843	1.7
399.25415	1.1
407.09851	1.3
417.26376	0.9
429.21613	0.9
432.45471	0.3
441.21103	1.9
442.22006	0.4
447.22314	8.4
448.22748	1.3
459.22336	11.0
460.22775	1.2
521.22260	0.4
609.33179	0.7
631.38586	0.5
635.34637	3.7
636.34491	0.9
653.35583	3.9
654.35834	0.8
713.27045	3.5
714.28802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47036	0.6
69.86359	3.2
69.86777	1.4
109.02959	1.5
125.02435	0.7
151.00391	2.9
227.03415	1.6
230.02390	0.8
243.02963	1.7
245.22739	0.7
257.04523	1.0
258.01682	26.9
259.02451	12.4
260.03098	0.8
271.02441	16.7
272.03256	9.3
273.04028	13.3
279.96115	0.7
283.02530	1.0
285.04031	5.4
287.61639	0.7
301.03540	78.9
302.03860	7.2
304.02341	1.8
313.03583	6.9
331.04590	46.6
332.04922	4.7
343.04718	1.6
403.06909	0.9
421.07761	100.0
422.08078	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	711.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50189	1.7
58.70782	2.1
60.16398	1.6
71.72684	2.9
78.95918	26.4
96.96960	3.1
109.26218	1.9
127.04427	1.9
127.11349	2.2
143.59990	2.1
152.99625	33.0
163.11389	1.9
171.00655	5.8
191.35548	2.2
201.11316	27.1
202.11601	2.4
209.11821	29.2
227.12825	3.0
255.23297	100.0
256.23660	11.7
363.12335	2.0
693.40491	9.8
694.40314	2.5
711.41077	98.7
712.41510	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	709.389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19107	0.6
50.57632	0.7
59.01366	1.6
63.96232	1.7
65.05003	0.7
66.67901	0.6
71.01382	7.8
73.02953	1.3
75.29457	0.6
78.95911	16.1
78.98592	6.2
79.95737	12.4
80.96523	69.9
81.03480	1.1
83.09010	0.7
84.14940	0.7
85.02941	2.5
87.00880	2.6
94.98095	14.2
96.96076	1.0
96.96934	1.1
97.02953	1.8
98.20636	1.4
99.00933	0.9
99.92594	1.0
101.02457	2.7
106.98089	3.3
109.06632	3.8
115.92052	1.0
122.97601	2.5
125.02441	2.9
125.09671	0.9
134.97588	4.6
136.99164	1.4
148.99153	7.0
152.98598	4.5
152.99600	17.0
153.99881	0.8
163.11331	1.5
164.98648	12.5
167.00314	1.0
171.00650	2.3
171.10283	2.5
179.00378	0.7
181.12390	0.8
187.70264	0.6
199.13347	2.0
206.99693	2.0
207.10284	6.0
209.11852	1.1
225.00748	17.0
225.11322	6.6
227.12927	3.5
232.60092	0.6
253.21616	1.1
255.23288	29.1
256.23590	2.9
361.10553	2.6
385.50922	0.7
435.14246	2.4
437.15323	0.8
453.14490	4.3
455.16953	5.0
537.27368	1.2
691.38446	14.6
692.38556	4.2
709.38611	100.0
710.38959	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55866	0.4
52.66894	0.4
56.49392	0.4
57.03460	0.6
57.53942	0.4
59.01371	1.0
63.96235	1.4
69.03461	1.3
71.01388	7.5
73.02952	1.3
76.11868	0.5
78.95918	4.8
78.98598	7.0
79.95742	11.4
80.96525	71.3
81.03479	0.7
83.01401	0.6
85.02961	2.3
87.00881	2.8
88.05516	0.5
94.98101	15.5
96.96016	1.0
96.96941	0.5
97.02966	1.8
98.19838	1.1
99.00900	0.5
101.02456	2.1
106.98096	3.2
109.06601	0.9
113.22425	0.4
114.62086	0.4
121.44367	0.5
122.97588	3.4
125.02451	3.6
127.04011	1.1
134.97591	5.7
136.99150	0.9
143.57211	0.5
148.99156	6.4
149.51802	0.5
152.98630	6.2
152.99637	4.0
163.11290	0.8
164.98651	13.5
165.19618	0.5
165.99014	0.5
171.00571	0.7
171.10254	2.1
172.10646	0.5
188.98569	0.6
206.99667	3.0
207.10266	1.8
225.00746	20.3
225.11392	2.5
226.01236	0.5
243.12521	0.5
255.23250	6.5
256.23666	0.6
310.77936	0.4
361.10541	0.6
453.14380	3.9
493.31683	0.5
537.27057	1.5
691.38574	2.7
709.38574	100.0
710.38922	24.3
710.51782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45703	0.6
56.46067	0.6
57.03453	1.3
57.22004	0.6
58.00599	1.0
59.01380	12.5
61.98833	12.8
68.02760	0.6
69.03479	0.8
71.01388	15.1
71.05055	0.6
71.72088	0.9
72.99303	0.8
73.02958	2.0
75.00872	0.8
75.57448	0.7
78.95908	1.2
80.02673	1.5
80.96507	1.1
81.03464	1.9
83.01407	1.3
83.05037	2.9
85.02955	2.5
87.00885	2.0
88.98820	0.8
89.02460	7.3
95.01373	0.8
95.05045	1.2
97.02975	3.9
97.06586	1.5
99.00897	2.6
101.02460	8.1
109.03009	0.7
109.06605	20.2
110.03755	1.2
111.00972	1.0
113.01780	0.6
113.02460	4.0
113.09717	2.3
119.03513	2.4
121.06627	1.7
123.04539	1.2
125.02479	1.7
125.09772	0.9
133.24289	0.7
135.08189	2.5
135.97540	0.6
136.05339	1.0
142.02733	1.3
145.05115	1.3
161.04578	3.0
161.09712	2.0
163.11308	11.8
164.11626	0.8
165.12927	1.7
171.10266	2.4
179.05649	1.6
179.10834	0.6
181.12379	3.2
183.13922	20.7
183.15558	1.0
184.14273	2.1
185.11861	2.5
189.09308	1.6
193.12376	2.0
197.11858	1.4
199.09790	2.1
207.10287	64.6
208.10544	4.2
209.11862	14.7
210.12186	1.5
211.13411	100.0
212.13715	7.3
225.11327	34.5
226.11641	1.9
227.12831	4.0
235.08205	6.1
243.12187	1.6
249.14767	0.9
253.09291	15.0
254.09689	0.9
272.63547	0.7
289.07062	0.7
293.21219	10.0
294.21683	1.5
299.15048	1.2
332.49622	0.7
339.23322	0.8
373.23953	3.2
375.25604	1.1
383.22342	3.6
391.24945	3.5
397.13519	1.9
401.23386	8.9
402.23663	2.0
415.14410	1.5
419.24545	3.5
443.19315	3.7
447.22168	2.3
461.20245	15.4
462.20624	2.9
463.21906	1.3
482.08444	1.1
609.32996	1.3
611.30774	1.4
637.32507	13.8
638.32922	2.5
655.33472	20.5
656.33740	7.8
673.34698	1.8
709.31305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71964	0.9
56.75075	0.9
57.97635	0.9
58.93935	0.9
59.01385	10.1
61.98833	91.9
63.99263	1.0
67.67954	0.9
71.01391	19.0
71.72322	1.6
72.01733	0.9
72.99314	1.1
73.02969	2.1
78.95921	2.4
80.96479	1.1
81.03484	1.4
83.05030	2.8
85.02956	2.0
87.00902	2.5
88.98802	1.5
89.02443	5.1
91.13073	0.8
93.03487	0.9
95.82172	0.9
97.02928	5.2
99.00868	1.5
101.02468	6.8
109.06606	24.1
113.02474	2.8
116.92860	0.9
119.03556	1.7
120.58797	0.8
121.06627	1.5
121.56355	0.7
124.46889	0.7
125.02439	1.4
125.06094	1.2
133.99026	0.9
135.08170	3.1
142.02737	1.5
143.03534	0.8
145.05090	2.0
152.99556	1.1
161.04523	2.4
161.09781	1.1
163.11301	12.2
166.82828	0.8
166.88190	0.9
171.10278	3.6
181.12366	3.0
183.13922	5.7
185.11841	3.4
189.09250	1.9
191.05672	1.7
193.12347	1.3
197.11865	1.3
199.09793	3.3
201.11308	1.0
207.10278	65.4
208.10611	5.5
209.11841	10.3
209.63956	1.0
210.12148	1.4
211.13409	100.0
212.13710	6.0
225.11328	42.7
225.13544	2.0
226.11662	3.8
227.12976	4.8
235.08266	5.6
253.09296	13.7
299.14795	1.6
339.23163	1.0
350.54581	0.9
357.24512	1.0
373.23776	2.1
383.22168	2.8
391.24774	2.8
401.23480	5.9
402.23807	1.7
419.24475	3.2
443.19232	3.0
447.22388	1.6
461.20279	16.5
462.21021	1.9
529.52545	0.9
553.76514	1.1
609.32971	1.8
611.31189	1.1
637.32568	7.0
638.32507	1.5
647.38300	3.8
655.33411	15.3
656.33734	7.6
673.33508	1.4
709.34808	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	709.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01380	1.1
67.01901	0.3
68.05428	0.2
69.88335	0.2
70.88013	0.2
71.01385	1.4
73.02954	0.5
73.28145	0.2
81.03471	0.6
85.02951	6.1
87.00874	1.2
91.01886	0.4
93.03468	3.2
98.20702	0.6
109.02963	0.4
111.04515	0.9
113.02446	0.5
117.03509	0.3
119.05010	1.0
121.10231	2.8
123.08186	3.0
125.02462	0.3
127.04040	1.4
135.04547	0.5
136.05325	0.5
145.02950	0.8
163.04019	1.7
165.09221	55.1
166.09554	2.9
168.98238	0.2
171.03035	0.6
173.04529	1.6
191.05621	100.0
191.07068	4.5
192.05991	4.3
207.10245	0.3
209.08267	1.1
213.09224	0.5
230.59178	0.3
239.06898	0.3
270.63550	0.2
337.09277	27.6
338.09637	2.9
371.13474	30.2
372.13837	3.5
391.06396	0.4
407.32858	0.2
535.65472	0.2
709.19806	0.6
726.46124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73152	0.1
56.99822	0.2
57.03450	0.8
58.00594	0.2
65.00313	1.3
69.03449	0.2
69.52267	0.2
69.52447	0.3
69.52856	1.3
69.53114	0.3
72.99313	7.9
73.02951	0.8
73.80083	0.2
75.00880	33.0
76.01205	0.3
83.01407	0.7
83.45309	0.2
87.04520	1.2
107.01392	2.1
122.96709	0.1
123.04571	0.4
124.01637	0.3
125.02463	2.4
133.02963	0.3
135.04536	0.4
137.09706	0.2
139.11313	8.1
140.11653	0.4
143.21048	0.2
149.02469	0.3
150.03264	1.1
151.00394	7.3
151.04041	1.5
152.01161	1.1
153.01949	0.3
153.12914	1.1
155.10759	0.2
165.09218	0.2
169.01442	0.2
169.12334	0.3
173.02579	0.2
175.04001	0.5
177.01932	0.4
178.99849	1.7
183.10277	9.2
184.10657	0.5
191.05621	0.5
197.11833	1.4
199.04042	0.4
213.11333	0.6
215.12906	2.4
217.05061	0.3
241.10779	0.5
259.11847	100.0
260.12195	6.9
285.04068	3.3
286.04404	0.3
303.05081	1.7
308.60196	0.2
445.74979	0.2
449.10895	4.3
450.11398	0.5
646.00201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89116	0.1
55.01872	0.1
57.03437	0.4
58.00568	0.2
59.01085	0.3
59.01379	5.2
67.01887	0.4
68.99438	0.2
70.73623	0.5
71.01387	4.1
72.99299	0.4
73.02953	0.2
75.00876	0.8
83.01412	0.2
83.05047	0.3
85.02956	6.5
87.00893	1.4
89.02457	3.1
93.03467	3.4
95.01389	0.5
99.00895	0.7
99.04531	0.3
101.02453	1.7
109.02946	0.7
111.04517	1.0
113.02476	2.0
119.03519	1.3
119.05000	1.5
121.02961	3.4
121.10295	0.8
123.08150	1.2
123.87230	0.2
124.01687	0.2
125.02452	0.2
127.04024	1.5
135.04568	0.2
137.02501	0.2
143.03490	0.2
144.40907	0.2
145.02997	0.7
153.59161	0.2
155.03510	0.3
163.04037	3.1
165.09233	18.0
166.09525	1.1
171.03032	0.3
173.04581	1.7
191.05634	100.0
192.05984	3.9
209.08244	0.4
231.05034	0.2
240.40906	0.2
249.06139	2.2
337.09299	27.2
337.15045	12.6
338.09653	2.5
338.15408	0.8
344.53159	0.2
363.13641	0.2
371.09665	4.0
371.13559	10.1
372.10367	0.3
372.13956	0.9
404.25937	0.2
419.06061	0.2
463.31635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	0.5
63.02393	0.4
63.81313	0.2
65.00325	2.0
69.55833	1.5
71.01389	0.3
79.95767	0.4
83.01388	1.3
89.58688	0.2
90.84661	0.2
93.03484	0.7
99.04515	0.2
101.02467	0.2
107.01406	5.1
108.01742	0.2
109.02975	0.3
119.05046	2.3
120.99364	0.7
123.04523	0.2
124.01641	0.2
125.02496	1.0
133.02992	1.4
135.04555	0.2
137.02490	0.2
145.02905	0.3
150.03082	0.2
151.00392	44.2
152.00755	1.5
161.02434	0.2
161.06110	0.2
163.04015	0.2
165.01917	0.4
169.01469	0.5
173.04616	0.5
177.01894	1.2
179.03531	0.3
185.06126	0.2
191.05623	0.7
195.06592	0.6
199.04152	0.3
203.97389	1.0
204.98085	0.2
215.05663	0.5
218.93661	0.1
218.95987	0.8
225.05551	0.2
227.06990	0.2
229.05103	1.2
230.96049	25.6
231.96375	1.3
241.05093	0.7
243.03018	0.2
256.97629	0.3
269.04544	0.8
271.06116	4.5
272.06546	0.4
275.09158	0.2
287.08936	0.2
309.00769	0.3
333.44720	0.2
343.11905	0.2
349.43341	0.2
351.01807	100.0
352.02151	10.1
352.05630	0.2
352.06781	0.3
403.14044	1.6
612.50513	0.2
664.10559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03436	2.2
58.00586	1.9
59.01382	29.5
61.98831	17.1
67.01887	0.6
69.03452	1.6
69.31181	0.4
69.91746	2.1
71.01385	26.4
72.99313	2.7
73.01802	0.4
73.02961	3.7
73.93548	0.4
75.00846	0.7
78.70081	0.4
78.75482	0.4
78.95918	0.9
80.96548	0.8
81.03478	1.4
83.01382	2.0
83.05031	1.5
85.02958	4.6
86.00122	0.3
87.00879	5.2
87.86634	0.4
88.98812	0.5
89.02454	26.0
90.02778	0.5
91.04019	0.4
91.47793	0.3
93.03479	0.8
94.00893	0.4
95.01383	1.5
95.05035	1.4
97.02959	3.9
99.00883	1.9
101.02454	21.4
102.02763	0.5
109.02976	0.5
109.06582	0.9
111.04511	0.9
111.08176	11.1
112.08498	0.4
113.02467	8.8
113.09758	0.4
115.04044	0.5
119.03525	8.6
121.02964	0.7
123.04541	0.6
123.08200	0.5
125.02464	7.0
131.03511	1.5
133.05043	0.7
137.09715	0.8
139.04044	0.6
139.11293	0.5
143.03537	3.9
143.42863	0.4
149.04568	0.6
149.09698	0.7
161.04575	3.7
163.04047	0.4
163.11238	0.5
167.10786	2.0
171.10266	1.3
177.12842	2.5
179.05603	4.1
179.10785	2.0
185.04608	0.8
191.05614	0.5
195.13910	7.3
196.14235	0.8
197.11845	1.1
199.06197	0.5
199.09778	0.6
201.11320	1.1
203.14287	0.5
207.10239	1.0
209.11876	2.7
211.13402	0.8
217.07097	0.6
221.06667	2.4
223.13472	0.6
225.11305	1.5
235.08231	5.6
245.06544	0.5
247.20636	1.6
253.09302	1.7
263.07614	0.8
273.18582	1.0
275.20187	0.7
277.09171	0.4
287.07816	0.9
291.19653	100.0
292.20044	11.2
305.08777	0.5
309.20859	1.5
323.10043	0.9
379.12311	0.5
397.13547	18.0
398.13873	1.5
415.14572	16.3
416.14917	1.8
491.57544	0.4
498.48029	0.5
669.58307	0.4
707.34851	1.3
722.00952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48388	0.4
53.00299	0.5
55.01878	0.6
57.03445	1.1
58.00598	1.1
59.01379	9.7
60.05072	0.5
61.89074	0.5
61.98837	6.4
69.03461	0.9
69.51205	1.1
69.51611	3.6
70.08064	0.5
71.01386	76.2
71.05022	1.0
72.01720	1.4
73.02948	2.9
80.02689	1.6
81.03464	1.8
83.01407	1.3
83.05032	5.7
84.02172	1.3
85.02949	2.7
85.21937	0.4
87.00896	2.0
89.02447	4.7
93.03483	0.6
95.01408	0.9
95.05036	1.6
97.02955	1.8
97.06631	1.0
99.00898	1.8
101.02453	5.8
103.03918	0.5
109.03010	0.7
109.06619	6.4
110.03705	0.7
111.00871	0.9
113.02486	3.1
119.03551	1.3
121.06626	0.7
123.04535	0.6
123.08205	0.6
124.01662	0.6
125.02486	1.1
125.06083	0.7
125.09748	3.3
127.11314	3.7
135.08170	2.3
135.45506	0.5
137.02466	0.6
137.09760	0.9
139.04015	1.0
139.07690	0.6
145.05128	0.7
151.11325	3.1
153.09251	0.8
155.10782	1.7
161.02452	0.6
161.04599	2.5
161.09825	0.6
163.11311	9.6
165.09196	0.8
165.12877	2.0
171.10291	51.9
172.10686	2.6
179.05627	0.6
179.10887	0.6
181.12358	3.1
185.11864	1.7
191.05591	1.2
191.10786	2.0
197.11938	1.1
199.09772	7.1
199.13400	2.1
201.11337	37.0
202.11641	2.3
207.08319	1.0
207.10283	18.9
208.10634	2.4
209.11844	100.0
210.12149	7.9
215.12906	1.6
219.17592	1.6
221.15486	0.8
225.11320	24.1
226.11650	1.8
227.12900	12.8
228.13336	0.9
235.08220	4.1
243.12408	1.8
251.12982	0.8
253.06580	0.8
253.09276	14.7
254.09523	0.8
258.99377	0.5
271.02618	0.7
272.99835	0.5
282.19879	0.6
289.21719	18.5
290.22083	1.8
300.02554	0.5
307.75235	0.4
333.20602	1.4
345.13474	0.6
391.21051	0.9
399.21722	1.0
405.19235	3.2
406.19470	0.8
407.19131	0.6
417.22760	1.2
435.18597	1.7
443.19012	1.1
461.20291	5.1
462.20517	0.5
479.21509	0.6
507.18771	0.9
627.30621	0.6
645.31104	1.4
653.32068	1.4
671.32483	2.5
672.33386	1.2
689.33948	3.6
690.34369	0.8
707.35156	6.3
708.35413	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	707.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85018	0.5
53.00304	0.6
55.01883	0.7
57.03447	2.4
58.00595	0.8
59.01383	10.9
61.98832	6.2
69.03458	0.8
71.01390	45.8
71.04998	0.6
71.72660	0.8
72.01718	1.2
72.40372	0.5
72.99323	0.7
73.02945	3.1
75.00880	0.8
78.95905	0.6
80.02683	1.6
80.96533	1.3
81.03454	2.4
83.01400	1.5
83.05035	6.3
84.02184	1.2
85.02967	2.3
87.00891	2.2
88.98798	1.2
89.02462	5.3
95.01418	1.1
95.05032	1.5
96.96049	0.7
97.02954	2.0
97.06613	1.0
99.00893	3.3
101.02452	6.7
107.53343	0.6
109.02895	0.7
109.06596	3.8
113.02476	3.2
113.05933	0.6
116.92874	0.5
119.03500	1.6
123.08156	0.9
125.02480	1.8
125.06081	1.0
125.09719	3.3
127.11296	2.0
135.08217	0.9
136.34271	0.5
137.02432	1.1
137.09671	0.8
139.07712	0.6
139.11313	1.5
143.03560	0.7
145.05040	0.9
153.09203	0.6
155.10808	1.2
158.79155	0.5
161.04578	2.5
161.09749	0.6
163.11292	8.1
164.11594	0.6
165.01933	0.9
165.09201	0.7
165.12857	2.5
167.10793	1.5
169.12392	0.5
171.10292	50.0
172.10628	3.3
179.05685	0.6
179.10818	0.9
181.12415	3.0
185.11867	19.5
186.12181	1.3
191.05634	1.6
191.10805	1.6
197.11798	2.4
199.09821	6.9
199.13448	2.0
201.11337	26.7
202.11671	1.4
205.72775	0.6
207.08327	0.7
207.10281	12.3
208.10654	0.6
209.11850	100.0
210.12206	8.3
211.13501	1.2
213.11266	0.7
215.12959	1.4
219.10201	0.6
225.11331	16.2
226.11696	1.1
227.12927	14.3
228.13237	2.8
235.08279	4.0
243.02989	1.1
243.12344	2.4
253.09296	12.3
254.09669	0.8
271.02463	0.6
272.10303	0.5
280.48077	0.5
289.07187	0.8
309.20767	1.5
393.72733	0.7
397.13647	1.2
399.21857	1.1
407.18848	0.6
415.14850	1.0
435.18649	0.7
461.20352	4.7
463.21646	0.7
479.21149	0.7
609.29492	0.6
635.31219	0.8
645.30084	0.7
653.31964	1.6
671.32928	2.3
672.33374	0.9
675.32550	22.3
676.32928	5.3
689.33740	3.4
690.34265	0.7
707.35223	13.5
708.35913	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	707.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85018	0.5
53.00304	0.6
55.01883	0.7
57.03447	2.4
58.00595	0.8
59.01383	10.9
61.98832	6.2
69.03458	0.8
71.01390	45.8
71.04998	0.6
71.72660	0.8
72.01718	1.2
72.40372	0.5
72.99323	0.7
73.02945	3.1
75.00880	0.8
78.95905	0.6
80.02683	1.6
80.96533	1.3
81.03454	2.4
83.01400	1.5
83.05035	6.3
84.02184	1.2
85.02967	2.3
87.00891	2.2
88.98798	1.2
89.02462	5.3
95.01418	1.1
95.05032	1.5
96.96049	0.7
97.02954	2.0
97.06613	1.0
99.00893	3.3
101.02452	6.7
107.53343	0.6
109.02895	0.7
109.06596	3.8
113.02476	3.2
113.05933	0.6
116.92874	0.5
119.03500	1.6
123.08156	0.9
125.02480	1.8
125.06081	1.0
125.09719	3.3
127.11296	2.0
135.08217	0.9
136.34271	0.5
137.02432	1.1
137.09671	0.8
139.07712	0.6
139.11313	1.5
143.03560	0.7
145.05040	0.9
153.09203	0.6
155.10808	1.2
158.79155	0.5
161.04578	2.5
161.09749	0.6
163.11292	8.1
164.11594	0.6
165.01933	0.9
165.09201	0.7
165.12857	2.5
167.10793	1.5
169.12392	0.5
171.10292	50.0
172.10628	3.3
179.05685	0.6
179.10818	0.9
181.12415	3.0
185.11867	19.5
186.12181	1.3
191.05634	1.6
191.10805	1.6
197.11798	2.4
199.09821	6.9
199.13448	2.0
201.11337	26.7
202.11671	1.4
205.72775	0.6
207.08327	0.7
207.10281	12.3
208.10654	0.6
209.11850	100.0
210.12206	8.3
211.13501	1.2
213.11266	0.7
215.12959	1.4
219.10201	0.6
225.11331	16.2
226.11696	1.1
227.12927	14.3
228.13237	2.8
235.08279	4.0
243.02989	1.1
243.12344	2.4
253.09296	12.3
254.09669	0.8
271.02463	0.6
272.10303	0.5
280.48077	0.5
289.07187	0.8
309.20767	1.5
393.72733	0.7
397.13647	1.2
399.21857	1.1
407.18848	0.6
415.14850	1.0
435.18649	0.7
461.20352	4.7
463.21646	0.7
479.21149	0.7
609.29492	0.6
635.31219	0.8
645.30084	0.7
653.31964	1.6
671.32928	2.3
672.33374	0.9
675.32550	22.3
676.32928	5.3
689.33740	3.4
690.34265	0.7
707.35223	13.5
708.35913	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	707.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
67.01898	0.3
69.53381	2.7
71.01401	0.7
71.02223	0.2
78.07564	0.3
83.05040	0.6
83.93143	0.3
85.02957	5.8
85.03449	0.4
87.00874	1.7
91.05547	0.4
93.03473	3.7
107.05027	1.3
109.02956	0.7
111.04545	2.4
117.03494	0.5
122.47016	0.3
127.04012	1.9
129.01918	0.4
133.02965	1.4
134.03770	4.8
135.04541	54.5
136.04861	3.2
137.02539	0.4
152.62637	0.3
155.03563	1.5
161.02448	4.0
171.03036	0.4
173.04572	2.9
179.03510	51.5
180.03818	2.4
191.05623	100.0
192.05966	3.8
250.55730	0.3
329.44574	0.3
342.70566	0.3
353.08783	81.3
354.09167	8.6
354.12552	0.2
355.09161	0.3
555.45703	0.3
581.83789	0.3
707.18677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03447	1.0
58.00594	1.4
59.01383	11.8
61.98836	6.9
68.99824	0.7
69.03461	0.9
69.47716	2.2
69.48145	2.9
71.01388	94.5
72.01740	1.8
73.02935	3.4
80.02702	1.7
81.03451	2.5
82.51610	0.4
83.01404	1.1
83.05035	6.4
83.10577	0.4
83.62097	0.4
84.02193	1.4
85.02964	2.5
87.00895	2.0
89.02445	5.0
91.04092	0.5
93.03471	0.7
95.05058	1.6
97.02975	2.8
97.06632	0.8
99.00906	1.9
101.02460	7.4
109.02994	0.7
109.06611	8.6
113.02483	3.6
115.71542	0.4
119.03523	1.5
121.06608	1.0
123.04568	1.4
124.01683	6.8
125.02518	0.7
125.06126	0.9
125.09738	4.8
127.11304	4.5
135.08188	1.5
137.09761	0.9
139.04042	7.7
139.07660	0.6
140.04347	0.6
142.02777	0.7
143.03535	1.0
145.05080	1.2
149.09641	0.7
153.09232	0.7
155.10834	1.2
161.04576	2.2
161.09753	1.0
163.11308	9.4
164.11673	0.7
165.09180	1.2
165.12880	2.2
171.10291	61.1
172.10629	3.2
179.05745	0.7
179.07159	1.3
179.10789	0.7
181.12335	4.3
185.11836	2.6
187.09747	0.6
189.09232	1.2
191.05577	0.8
191.10828	1.2
192.07880	0.9
197.11858	1.3
199.09789	7.5
199.13443	2.0
201.11337	39.1
202.11609	2.4
203.58176	0.6
206.05855	1.0
207.06775	3.2
207.10277	22.4
208.07103	0.8
208.10600	1.6
209.11845	100.0
210.12177	9.7
211.13431	1.4
215.12920	1.6
219.10449	0.6
221.08264	0.8
221.11893	0.5
225.11325	24.6
226.11755	2.3
227.12903	13.3
228.13179	1.2
235.08238	5.2
243.12375	2.0
253.09279	14.2
253.11774	1.0
254.09721	0.7
291.19623	3.2
292.19806	0.6
330.11139	1.8
345.13452	3.4
346.13837	0.7
374.43417	0.6
391.21573	0.8
397.13333	2.6
399.21765	1.1
415.14670	0.9
417.22531	1.2
435.18973	0.7
437.20306	0.6
443.19257	1.1
461.20190	6.2
462.20584	1.0
479.21307	1.0
507.18610	8.6
508.19003	2.1
509.19638	0.7
524.01038	0.5
609.28802	1.1
627.30237	0.8
635.31146	1.0
645.31165	2.1
646.31805	1.1
653.32690	0.9
654.31824	0.5
669.23712	3.4
671.33588	2.6
672.33838	0.6
689.34430	2.7
690.35028	0.9
707.35553	5.9
708.35968	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	706.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98833	100.0
62.98542	0.3
69.72374	0.6
71.01389	0.3
80.96539	0.1
85.03014	0.1
101.02407	0.1
117.04513	0.1
121.78521	0.1
148.31416	0.1
165.12796	0.1
168.67461	0.1
171.10321	0.2
183.13896	0.9
184.14349	0.2
197.11781	0.5
198.12196	0.1
207.10196	0.1
209.11856	0.7
210.12247	0.4
225.11317	0.1
227.13002	0.2
253.09367	0.1
259.93884	0.1
673.34485	0.1
674.35022	0.7
675.35492	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	707.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29287	0.1
52.57693	0.1
59.01374	1.0
67.01907	0.3
69.03458	0.1
69.81546	0.8
71.01385	0.7
73.02950	0.2
77.15381	0.1
79.43932	0.1
81.03487	0.2
83.01405	0.2
83.05025	0.2
85.02959	7.3
87.00887	1.7
89.43039	0.1
93.03473	2.9
99.04558	0.2
109.02956	0.7
111.04523	1.0
113.02502	0.1
113.05901	0.1
116.47559	0.1
127.04021	1.7
133.02971	0.9
135.04539	0.9
137.02502	0.1
155.03596	0.3
161.02457	1.7
162.02802	0.1
171.03061	0.7
173.04555	1.2
179.03526	0.8
191.05626	100.0
192.05974	3.4
220.03535	0.1
351.06894	0.1
352.07669	0.2
353.08789	17.1
354.09061	1.2
454.07407	0.1
470.37180	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	705.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03449	0.2
59.01371	1.6
61.98818	0.2
62.20274	0.1
71.01387	1.7
71.48866	0.2
73.02948	0.4
80.02686	1.0
81.03460	1.0
83.01411	0.3
83.05032	4.1
84.02168	0.6
84.05318	0.2
85.02942	0.4
85.86382	0.2
87.00895	0.4
87.42838	0.1
89.02457	1.3
95.05039	0.5
97.02937	0.2
99.00858	0.2
101.02459	1.5
109.06590	0.2
113.02483	0.9
118.02547	0.1
119.03479	0.4
125.02486	0.3
125.06104	0.4
125.09735	0.3
135.08200	0.6
136.79871	0.2
142.74982	0.1
145.05026	0.3
161.04591	0.9
161.95735	0.2
163.09993	0.3
163.11296	3.0
165.12845	1.9
171.10345	0.9
171.11647	0.2
179.05545	0.2
181.12378	0.5
191.10762	0.8
197.11934	0.1
199.13370	0.3
207.10286	0.3
209.11836	100.0
210.12160	6.8
227.12895	14.3
228.13170	0.8
232.21135	0.1
235.08197	1.6
247.13361	0.3
253.09274	5.4
254.09651	0.3
259.15518	0.4
369.55981	0.1
400.09833	0.1
445.20868	1.9
446.21167	0.3
463.21744	0.3
637.32416	0.6
638.06799	0.2
655.33270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67686	1.4
57.03466	2.2
58.00594	1.9
58.75030	1.3
59.01383	20.5
61.98835	60.7
68.48283	1.6
71.01391	98.6
71.61308	3.9
71.61697	1.5
72.99335	1.5
73.02951	5.3
75.13250	1.6
78.95920	6.8
78.98616	3.7
79.95741	4.3
80.02646	2.1
80.96527	27.2
81.03490	3.2
83.01404	3.1
83.05054	5.5
85.02977	4.5
87.00896	5.5
89.02461	6.4
93.03532	1.9
94.98105	4.5
95.01415	2.9
95.05054	4.7
95.69814	1.6
96.96048	2.2
97.02966	6.2
97.06631	1.8
99.00893	5.7
101.02464	8.0
106.98129	1.8
109.02990	2.4
109.06610	17.3
113.02478	5.0
123.04523	2.4
125.02482	4.5
125.09753	5.2
135.08218	3.1
137.02400	1.9
138.54478	1.5
143.03516	1.6
145.05095	2.1
146.06912	1.6
148.99173	4.0
151.04045	2.1
152.98558	3.8
152.99654	2.4
161.04590	3.4
161.09818	2.4
163.11316	13.3
164.98633	5.7
165.12877	2.0
169.12405	4.5
171.10287	19.6
172.10690	2.0
179.10794	2.0
181.12410	8.3
183.13925	9.5
184.30679	1.7
185.11909	3.8
191.05615	4.8
193.12404	1.7
197.11859	7.2
199.09737	2.0
199.13451	8.9
201.11330	9.2
206.99678	2.7
207.10289	49.4
207.12166	3.4
208.10602	4.4
209.11853	45.8
210.12192	3.8
211.13425	100.0
212.13716	9.0
223.13150	1.9
225.00729	8.2
225.11340	43.3
226.11639	4.8
227.12915	16.8
235.08282	5.5
243.12439	4.5
253.09259	16.6
256.81631	1.7
343.24728	2.2
401.23404	6.2
419.24371	3.3
429.25522	1.8
461.20181	8.0
493.18027	1.9
530.97516	1.5
604.60083	1.8
609.33228	2.1
621.66443	1.7
637.32068	8.3
638.32587	2.9
655.33356	11.4
656.34064	5.6
673.34644	6.0
674.34180	1.8
705.31427	36.4
706.31750	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	705.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89524	0.4
53.00317	0.8
53.13102	0.4
54.72185	0.4
55.01884	0.9
56.41479	0.4
57.03448	2.0
58.00592	1.7
59.01382	13.5
61.98838	4.1
67.05547	0.4
68.99819	1.3
69.03463	1.2
70.97353	0.4
70.98323	1.2
71.01387	100.0
71.05030	0.8
71.15175	0.4
72.01342	0.4
72.01724	1.5
72.99316	2.3
73.02956	5.4
75.00883	1.3
78.64723	0.4
79.17242	0.4
80.02689	1.7
81.03467	3.0
83.01409	2.0
83.05035	5.3
84.02173	1.4
85.02957	5.1
87.00882	16.7
89.02460	5.4
93.03497	1.0
95.01405	1.9
95.05042	2.7
97.02962	6.0
97.06598	2.3
99.00900	2.7
99.04535	0.4
101.02458	7.6
106.04271	0.7
107.05035	0.9
108.02219	0.5
109.02960	1.6
109.06606	17.8
110.03739	2.0
110.06960	1.0
111.00864	0.9
111.04552	2.5
111.08177	1.0
111.12301	0.4
113.02473	4.6
119.03526	1.7
120.03820	0.5
121.03008	0.5
121.06618	1.5
122.03826	0.6
123.04533	1.1
123.08187	1.6
124.46792	0.4
125.02474	1.1
125.06115	1.3
125.09743	6.9
127.11332	2.3
129.01973	0.5
133.06691	0.6
135.08192	3.1
136.05298	1.2
137.09747	0.7
139.07687	1.0
139.11320	0.6
141.01945	0.4
142.02765	1.7
143.03528	1.2
145.05074	0.7
145.10248	0.7
149.09715	0.9
151.11310	1.4
153.09319	0.9
153.12875	0.5
155.10823	1.6
161.04662	1.9
161.09735	3.2
163.11311	13.8
164.11713	0.8
165.09299	1.0
165.12854	1.7
167.10799	0.8
169.12363	1.2
171.10287	41.0
172.10654	1.6
177.09215	1.0
179.05629	0.6
179.10768	4.1
181.12347	5.4
183.10298	0.9
183.13922	0.8
185.11870	3.5
187.09827	1.9
189.09264	2.1
191.05627	1.0
191.10789	0.7
195.10347	1.0
197.11833	3.9
199.09831	2.2
199.13353	3.7
201.11337	19.1
202.11780	0.8
205.08691	3.7
207.10277	38.9
208.10609	2.9
209.11842	42.8
210.12155	3.1
211.13498	2.3
213.11319	2.2
215.12881	2.7
221.11830	1.1
223.07596	0.3
223.09756	9.2
224.10135	0.6
225.11322	35.8
226.11693	1.9
227.12868	7.1
228.13245	0.7
235.08224	2.8
236.08435	0.4
237.11378	0.5
238.66083	0.4
241.10846	1.2
243.12354	2.4
249.11389	0.8
253.09300	9.9
263.12927	0.5
299.15024	1.0
307.19263	0.5
371.18625	0.6
407.19592	0.7
415.21225	1.0
443.19727	0.8
461.20200	5.9
462.20917	1.2
463.21948	1.0
479.21216	1.0
499.29169	3.4
500.29654	1.0
615.31104	0.8
637.32422	1.3
651.30316	0.7
652.31311	0.5
655.33783	1.5
669.31824	0.9
670.31934	0.6
673.34552	1.7
674.80524	0.5
687.32733	1.2
705.18744	1.2
705.34131	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	705.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33681	1.1
55.01873	2.9
57.03450	72.2
58.00582	1.9
59.01379	54.2
61.98820	3.6
62.13197	0.9
71.01385	42.9
72.99309	2.3
73.02950	9.9
75.00882	5.9
77.57239	1.1
78.95905	1.0
81.03475	3.1
83.01376	6.4
85.02969	18.2
87.00920	2.4
89.02454	21.1
93.03486	1.5
95.01398	4.5
97.02966	2.2
98.20690	3.0
99.00917	4.7
99.04532	38.1
101.02459	45.8
109.02952	3.8
111.00864	2.7
113.02467	23.7
119.03500	5.9
121.02988	1.0
123.04516	4.2
125.02467	41.6
126.02789	2.4
127.47520	1.2
133.02972	1.3
137.02431	5.6
137.09763	1.3
143.03477	2.6
151.00406	1.2
151.04024	5.9
159.02982	3.0
159.04469	1.3
161.02457	4.0
161.04633	6.9
161.05794	1.6
164.01170	2.1
165.01962	1.5
171.10283	2.6
171.81825	1.2
173.04544	1.1
175.03944	1.4
177.02010	1.4
179.05647	1.3
179.10822	1.2
187.03989	1.6
188.04773	1.1
191.05597	4.1
197.11884	10.3
201.11380	1.5
203.07196	2.3
204.41751	1.1
209.11815	4.2
225.11375	2.3
227.12915	1.1
229.88451	1.2
245.08195	2.9
287.05478	1.4
289.07159	13.4
290.07278	1.7
299.02185	2.6
399.23648	1.2
417.15219	1.2
543.28058	45.2
544.28125	6.0
561.29199	77.3
562.29559	14.6
603.30341	7.8
608.13135	2.3
643.33044	2.4
687.32532	1.9
705.33575	100.0
706.33954	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	705.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03449	77.8
58.00582	1.7
58.03783	1.3
59.01381	58.5
59.74881	0.7
60.01685	0.8
61.98835	4.6
67.22987	0.9
68.11002	0.9
69.53385	9.2
71.01387	46.4
71.05717	1.0
72.99316	2.5
73.02948	9.8
75.00871	2.5
77.53493	0.8
81.03461	3.4
83.01403	7.7
83.04950	0.9
83.78374	0.8
85.02955	22.0
87.00883	3.4
89.02454	27.1
95.01403	4.7
96.96018	1.3
97.02960	1.4
98.20634	1.9
99.00887	4.9
99.04537	41.7
100.04820	1.0
101.02458	48.9
109.02961	3.0
109.39507	0.8
111.00880	1.8
113.02466	23.0
119.03515	8.8
119.53149	0.8
121.02970	1.1
123.04531	3.6
123.27282	0.8
124.33231	0.8
125.02466	40.3
126.02734	1.2
131.03516	1.0
135.04524	1.1
137.02451	4.6
137.09737	3.0
139.04060	1.0
143.03520	4.8
149.02504	1.3
151.04012	6.5
159.03017	3.2
161.02463	3.3
161.04575	8.3
164.01187	1.7
165.01921	2.2
167.03517	0.9
171.10249	3.0
175.04007	1.6
177.01944	2.6
179.03502	2.0
179.05740	1.4
191.05603	4.7
197.11812	12.6
198.12158	1.0
202.06279	1.1
203.07074	1.6
205.05080	1.1
209.11794	4.3
219.06557	0.9
225.11340	2.0
243.02898	2.0
245.08253	1.8
259.02560	1.5
271.02435	1.3
287.05713	1.8
289.07147	12.0
290.07620	1.7
292.35031	0.9
299.02081	1.8
399.23880	2.1
417.15860	1.2
543.28101	46.0
544.28296	8.2
561.29242	79.5
562.29730	12.5
603.30298	10.1
643.33807	1.6
705.33606	100.0
706.22156	1.4
706.33972	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	705.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.2
61.98832	48.7
69.03438	2.3
69.71175	12.9
71.01384	62.0
72.99285	2.1
73.02972	1.8
73.55173	1.4
75.18520	1.5
78.98582	2.1
79.95713	2.0
80.96528	12.7
81.03449	2.7
83.01338	2.4
83.05023	4.0
83.41976	1.5
85.02944	4.6
87.00878	3.0
89.02443	3.5
91.99872	1.6
94.98084	2.2
95.05005	1.7
97.02965	3.4
99.00855	2.1
101.02436	5.6
109.06578	9.1
110.13564	1.7
113.02438	4.6
125.02395	2.9
125.09739	1.9
153.44000	1.7
161.04524	2.4
163.11307	9.1
164.98578	2.4
167.10629	2.0
169.12354	3.3
171.10303	11.8
179.05603	2.3
181.12325	2.3
183.13850	5.2
185.11780	2.1
191.05591	3.1
193.12314	2.1
197.11876	18.0
199.13402	4.0
201.11342	4.2
205.12347	2.8
207.10260	25.9
208.10553	2.3
209.11842	100.0
210.12117	7.9
211.13399	43.2
212.13734	4.2
223.11339	3.0
223.13414	56.5
224.13640	5.2
225.00740	2.7
225.09492	1.8
225.11360	17.7
227.12880	31.6
235.08168	4.7
253.09291	12.3
273.17010	3.5
274.04541	2.2
276.85956	1.7
360.11008	1.8
401.22803	4.5
419.24509	2.1
445.20767	8.9
459.22607	8.6
461.20059	4.9
490.09000	1.8
503.73264	1.9
567.59442	2.0
633.33069	2.2
637.31702	2.1
643.32428	2.0
651.34161	10.2
655.33423	4.6
669.34753	4.6
705.32336	59.7
706.32489	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	705.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.2
57.03449	1.8
59.01385	12.1
61.98833	33.6
66.02158	0.9
68.99836	2.3
69.03461	1.8
71.01389	100.0
71.71371	1.2
71.71783	1.0
72.01717	1.6
72.99318	1.9
73.02953	4.8
74.17913	0.8
78.45463	0.9
78.95918	6.5
80.02666	1.4
81.03482	2.9
83.01402	0.9
83.05044	4.4
85.02966	3.9
87.00885	11.6
89.02471	4.8
90.72561	1.0
93.03467	1.1
95.01437	2.1
95.05045	2.3
96.96986	1.2
97.02970	5.4
97.06600	1.8
99.00892	3.2
101.02439	6.5
107.05077	1.3
108.18478	0.9
109.06609	19.7
110.03756	1.7
111.00903	1.3
111.04533	3.4
113.02459	4.0
119.03524	1.5
123.04567	0.9
123.08215	1.1
125.02446	1.7
125.06001	0.9
125.09756	6.2
127.11341	1.7
135.08182	2.5
136.05374	1.1
137.09822	1.0
142.02733	2.1
152.99600	2.7
155.10776	2.4
161.04601	2.2
161.05934	0.8
161.09752	3.3
163.11310	11.3
164.11653	1.1
165.09274	1.0
165.12799	0.9
169.12520	1.0
171.10291	28.5
172.10646	1.0
177.09222	1.6
179.10780	2.9
181.12389	3.8
185.11833	5.1
187.09775	1.9
189.09192	1.4
191.05617	1.1
195.10342	1.0
197.11841	3.3
199.09785	2.5
199.13432	2.0
201.11330	12.8
205.08727	3.1
207.10277	38.9
208.10593	2.2
209.11841	33.5
210.12093	1.7
211.13455	2.1
213.11281	1.5
215.12880	2.1
221.11967	1.4
223.09776	7.7
223.13362	0.9
225.11334	33.2
225.13541	2.1
226.11676	2.1
227.12868	3.4
235.08183	2.1
241.10783	1.6
243.12340	2.7
253.09250	7.6
256.30423	1.0
277.21735	1.7
362.24594	0.8
375.21976	1.1
415.21533	1.4
443.18927	1.1
461.20331	5.3
479.21432	1.0
567.95752	1.2
615.30707	1.3
655.32550	1.1
669.31018	1.7
687.32471	3.0
705.33508	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	705.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53322	0.2
50.62801	0.2
57.03455	0.5
58.00581	0.2
59.01381	75.1
60.01714	0.8
65.00343	0.6
69.03462	0.3
69.70860	0.2
69.77806	1.2
71.01389	5.2
72.99311	0.3
73.02958	1.9
81.03473	2.4
83.01405	1.2
85.02969	1.7
85.06602	0.6
87.00898	0.2
87.04517	0.3
89.02452	3.6
90.87621	0.2
93.03462	0.2
95.01403	0.7
97.02984	0.2
99.00900	0.4
101.02455	4.2
107.01387	0.2
107.05035	0.2
109.06585	1.3
111.04545	2.3
113.02467	3.6
119.03510	1.5
121.03018	0.2
125.02464	4.1
127.07689	0.3
131.03510	0.6
133.06616	1.0
135.04530	0.2
136.05328	0.5
139.00546	0.2
141.09232	0.4
143.03551	0.4
149.02454	0.5
149.04579	1.1
151.00359	0.9
151.07671	18.0
152.07983	0.9
153.05574	0.2
161.04587	1.7
167.10818	0.2
177.05589	1.2
179.03441	0.2
179.05623	0.6
183.23642	0.2
191.05565	0.3
195.06641	100.0
196.06972	5.4
219.06595	0.3
221.06697	0.9
237.07683	1.2
261.13431	0.5
293.45844	0.2
303.14502	3.1
303.17920	0.3
304.14813	0.3
331.44522	0.2
347.17139	9.0
348.17340	0.9
357.11914	16.0
358.12234	1.5
514.31140	0.2
656.21411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49648	0.3
55.01879	0.5
57.03445	0.6
58.00586	0.4
59.01382	10.2
61.98839	4.8
63.04547	0.4
67.29462	0.4
69.03483	0.7
71.01386	7.0
71.05019	0.6
72.99311	0.8
73.02962	1.6
80.02689	2.5
80.96557	0.9
81.03464	3.6
83.00898	0.4
83.01405	1.3
83.05034	7.5
84.02181	1.7
84.05368	0.5
85.02968	1.6
87.00893	1.5
89.02453	4.0
93.03463	0.8
95.05035	1.7
97.02968	4.6
97.06605	0.8
99.00897	1.7
99.04548	0.6
101.02457	7.0
107.05049	0.8
109.02973	0.8
109.06604	24.1
110.03766	1.0
110.06931	1.1
111.04513	0.7
113.02489	2.6
113.89901	0.4
119.03510	1.3
121.06623	1.5
123.04551	0.8
123.08178	0.6
125.02476	1.1
125.06065	0.7
125.09743	1.8
129.01970	0.6
133.05099	0.4
134.03702	0.4
134.38214	0.5
135.08171	3.1
136.05316	0.7
137.02444	0.5
142.02730	1.2
142.67519	0.4
145.05078	0.7
147.11874	0.5
153.72670	0.4
161.04582	1.9
161.09727	1.8
163.11304	17.1
164.11629	1.4
165.09282	0.5
165.12898	2.4
169.12370	1.1
171.10281	1.6
179.05592	0.7
179.10815	1.0
181.12367	4.9
185.11852	2.4
187.09822	0.7
189.09207	2.3
191.10828	1.1
197.11847	11.2
199.13420	0.7
201.11263	0.6
205.12383	0.5
207.10280	61.5
208.10701	3.7
209.11845	100.0
210.12184	7.8
211.13409	1.8
223.13434	0.5
225.11328	27.3
226.11719	2.1
227.12907	17.2
228.13261	1.5
231.10222	0.9
235.08247	3.7
243.12341	0.5
247.13406	0.6
249.11281	1.4
253.09274	12.8
254.09691	0.6
259.15253	0.6
263.12720	0.7
265.14462	0.7
289.06961	0.5
299.14896	0.9
306.07693	0.7
340.60431	0.4
355.23120	0.5
373.24069	0.7
389.23126	0.7
399.21786	5.1
400.22079	0.5
405.17908	0.6
417.22778	3.8
418.23361	0.6
433.20840	0.7
435.23712	0.6
443.19409	2.3
445.20694	1.5
461.20270	9.4
462.20413	1.5
598.69708	0.4
609.30896	0.5
625.34094	0.7
635.30933	13.9
636.31097	3.1
653.31830	12.9
654.32086	2.9
671.32971	23.8
672.33301	6.1
685.38696	0.7
703.36511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04047	0.1
58.00601	0.2
59.01380	7.0
61.98824	0.6
67.91907	0.2
69.03439	0.4
71.01382	1.3
73.02950	0.3
78.95919	0.4
83.01412	0.2
83.05049	0.3
85.02940	0.4
87.00877	0.3
89.02459	1.1
92.29853	0.2
101.02454	1.5
113.02472	0.8
119.03564	0.2
130.38745	0.2
152.99660	0.2
159.10347	0.2
161.04582	0.6
167.10820	0.3
167.14409	0.8
171.10268	0.8
179.05595	0.4
183.13908	6.4
184.14250	0.3
193.12366	1.7
207.10342	0.4
209.11771	0.8
211.13403	100.0
212.13734	6.7
212.15796	0.2
225.11304	0.2
227.12990	0.3
235.08206	1.9
239.16698	0.2
253.09288	3.5
254.09602	0.2
277.21658	0.2
295.22830	0.7
387.25333	0.3
405.26617	0.4
429.21344	1.5
430.22070	0.3
447.22336	8.7
448.22595	1.4
623.34503	1.7
624.34821	0.4
641.35773	0.9
701.39301	0.2
702.39862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47973	0.1
59.01379	0.4
61.98830	100.0
62.98540	0.3
62.99271	0.1
64.64992	0.1
70.56973	0.1
71.01383	0.3
82.42113	0.1
85.02962	0.1
97.36469	0.1
101.02449	0.1
113.02499	0.1
125.02489	0.1
125.06072	0.1
137.04578	0.1
161.04572	0.1
171.10304	1.1
172.10626	0.3
191.05621	0.2
195.13977	0.2
197.11850	1.6
198.12206	0.2
207.10350	0.4
209.11897	0.4
211.13507	0.2
225.11310	0.6
227.12878	0.1
227.90295	0.1
237.14960	0.1
243.03058	0.2
253.09293	0.2
257.04636	0.1
258.77261	0.1
276.55649	0.1
283.02545	0.2
291.19797	0.1
309.20801	0.2
310.21240	0.1
341.06812	0.2
359.07742	0.1
430.12149	0.1
621.32813	0.1
622.33386	0.4
637.32764	0.3
641.32349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.01382	37.5
60.81536	1.0
61.98833	25.8
65.03969	2.1
71.01394	20.1
71.72221	1.8
72.99313	1.6
73.02957	4.7
75.00859	1.4
75.49964	1.0
78.95884	1.1
80.02701	1.1
81.03478	1.9
83.01402	3.2
83.05035	7.0
85.02964	6.9
85.06593	1.6
87.00881	7.1
89.02456	8.7
93.03444	1.0
95.01409	1.4
95.05019	1.7
96.95999	1.5
97.06614	3.9
99.00878	1.5
101.02464	17.5
109.02964	1.3
109.06626	2.0
111.00867	1.1
111.04553	1.3
111.08184	5.1
113.02460	6.2
119.03542	2.3
119.05023	2.2
121.02895	1.3
123.08199	2.3
125.02465	3.4
125.06106	1.8
125.09733	10.2
127.11295	1.4
129.02037	1.1
135.04556	1.5
135.08180	1.6
137.09755	2.2
143.03465	1.7
145.05104	3.2
151.04063	1.1
151.11226	1.3
161.04572	4.2
163.11279	1.9
171.10301	55.3
172.10645	2.3
179.03424	1.4
179.05704	1.1
185.11852	2.3
189.16541	1.4
191.05626	1.5
197.11798	1.8
201.12881	1.1
205.15976	4.3
207.10391	1.8
209.11841	16.3
210.12129	1.7
211.13414	14.1
215.14441	8.6
216.14627	1.0
221.15541	1.9
231.13953	4.8
233.15472	29.4
234.15813	2.9
235.08110	6.4
235.13480	1.5
247.17224	1.1
249.14949	23.8
250.15331	1.7
251.16583	1.2
253.09340	5.1
253.14464	1.6
300.02731	1.3
331.26471	2.6
339.23303	1.2
341.24908	6.2
357.24506	2.2
359.26053	2.4
367.22665	4.7
375.25397	3.6
377.26773	1.2
385.23792	20.7
386.24051	2.5
393.26398	1.3
403.24918	32.6
404.25229	3.9
407.19278	2.1
420.11264	1.2
421.25995	8.8
429.26587	1.2
467.23340	1.9
485.23822	3.2
517.09442	1.3
611.34686	4.4
621.32941	100.0
622.33386	24.5
637.32440	3.0
639.33990	81.1
640.34210	19.0
699.32898	3.6
700.32013	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	699.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56729	0.5
59.01363	0.9
63.45271	0.6
65.00327	0.5
69.61575	4.9
71.01389	1.1
81.03468	1.9
83.01395	0.8
83.05035	5.5
87.00878	1.2
93.02921	1.0
93.03470	10.6
98.19863	1.0
102.95720	0.5
107.01397	1.4
109.02934	1.6
111.04539	23.5
112.04903	1.4
113.00552	0.6
117.03464	0.6
119.05052	7.4
119.41476	0.6
125.02425	1.8
127.04042	1.0
131.05016	0.8
133.02950	1.7
134.03755	1.9
135.04539	15.9
137.02487	2.1
143.91731	0.6
145.03017	1.7
151.00461	1.5
151.04163	1.2
155.03526	22.5
155.04971	1.2
156.03833	0.8
161.02437	3.8
161.03807	0.6
163.04039	5.9
173.04591	1.2
173.06079	1.3
175.04004	3.3
176.14940	0.6
177.01947	1.8
179.03513	6.6
181.03220	0.7
191.03645	0.8
191.05594	2.8
193.04987	0.8
198.04517	1.3
199.04158	19.6
200.04533	1.4
205.03180	1.5
215.03534	0.7
217.05177	3.7
218.26268	0.6
241.05304	0.7
243.02966	17.5
244.03239	1.0
250.09749	0.6
261.04025	38.8
262.04410	2.4
267.02808	0.6
267.07034	0.7
269.04712	9.2
285.04077	3.8
287.05615	0.8
292.03406	0.6
301.03497	0.7
303.05145	1.5
309.07739	2.6
337.07349	1.6
354.08810	2.4
355.08441	45.3
356.08844	3.4
361.07330	4.9
373.09470	14.2
374.09653	1.9
417.08154	2.8
423.09338	13.7
435.09540	1.4
465.10281	1.1
477.10355	24.5
478.10464	4.1
519.13068	3.6
535.12604	5.9
536.13263	0.9
537.13818	2.8
699.17596	100.0
700.17920	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	699.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25113	0.7
59.01381	1.8
59.52037	0.8
61.98830	1.8
69.64412	6.5
71.01408	1.5
81.03460	2.6
83.05029	5.0
85.02937	1.8
87.00880	2.8
93.03474	12.5
93.17127	0.8
97.02956	1.3
99.00902	0.9
109.02956	2.6
109.19586	0.8
111.04528	17.4
113.00573	1.3
116.92902	2.1
119.05033	15.3
121.02971	0.8
123.91093	0.8
125.02434	3.1
125.06094	0.9
127.04005	1.0
133.03014	1.4
134.03790	0.9
135.04549	10.5
137.02484	4.0
139.04018	1.8
145.02975	1.9
153.01984	1.4
155.03513	14.6
156.03831	1.0
161.02464	7.4
163.04033	13.5
164.04344	1.1
165.01994	1.2
167.03514	0.8
169.01439	1.2
173.04619	1.5
179.03532	5.5
181.03088	0.8
183.03009	4.7
184.03407	0.7
191.03905	0.7
191.05626	16.1
198.04514	0.9
199.04213	11.8
200.04625	0.9
243.02826	1.0
245.53075	0.8
259.09769	1.7
261.03915	1.4
263.05850	2.1
269.04709	12.0
283.09839	1.3
287.05698	1.4
297.04193	0.9
309.07962	5.6
311.14938	1.3
319.04614	0.9
327.08734	14.4
328.08951	0.9
333.62082	0.8
337.07330	1.6
343.06293	0.9
354.08713	2.2
355.08447	39.3
356.08752	2.1
361.06976	1.0
373.09576	14.9
384.96210	0.8
427.04663	0.8
519.13196	4.9
535.12500	5.5
536.13147	0.9
537.13837	2.9
537.20172	2.2
689.70074	1.0
699.17542	100.0
700.17902	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	699.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.7
64.67753	0.5
69.03419	0.5
70.03013	2.5
70.98360	0.5
71.01390	0.9
81.03456	1.5
83.05036	5.0
87.00890	1.7
93.03469	10.3
94.03828	0.6
95.01402	0.5
101.45525	0.5
109.02940	1.1
111.04539	17.0
112.04868	0.6
113.00580	0.8
117.03542	0.5
119.05041	7.4
127.04007	0.7
133.02943	1.6
135.04533	5.0
137.02461	3.0
145.02959	2.0
155.03531	16.8
156.03902	0.5
161.02477	8.2
161.03818	0.9
161.04263	0.6
163.04065	5.5
173.04546	1.5
178.77055	0.4
179.03535	3.0
181.03072	0.5
183.01024	0.6
191.05667	1.8
193.25108	0.6
199.04214	14.9
200.04344	0.6
205.03296	0.7
214.65031	0.6
217.05263	1.7
243.03104	1.0
251.03607	1.0
261.04117	0.9
263.06030	0.8
268.05139	0.8
269.04742	11.5
270.04953	0.8
287.05951	0.6
298.04831	0.7
309.07877	6.4
311.05954	0.8
337.07294	2.2
354.08829	1.4
355.08441	39.0
356.08789	4.4
361.07089	1.1
372.10010	1.1
373.09451	14.3
374.09778	1.1
391.10324	0.7
433.09448	0.8
449.08554	0.7
519.12903	3.1
535.12543	7.4
536.13049	1.6
537.14099	1.9
578.89661	0.6
699.17621	100.0
700.17957	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98650	1.0
55.01892	1.1
61.98834	3.2
70.08116	1.1
71.01370	1.0
71.33662	0.9
71.72297	2.2
80.96540	8.0
87.04527	19.6
94.98089	1.5
111.04533	3.6
115.98487	1.0
123.01832	1.1
123.08172	1.1
124.01682	1.4
125.02490	2.4
137.02490	3.9
139.04024	3.1
146.29131	1.1
151.04008	3.1
153.01926	1.5
154.02739	2.1
165.09195	1.9
166.02698	5.3
167.03545	4.1
168.02177	0.9
177.02013	1.0
177.90579	1.0
180.04266	2.1
195.06612	4.4
207.06589	1.1
208.07382	1.3
209.08203	10.8
219.10300	5.3
221.08189	18.5
222.08810	3.3
225.00702	1.7
233.08237	3.3
235.09776	4.5
236.10106	1.5
247.09796	4.9
251.12759	1.2
255.23257	1.1
261.11279	3.4
265.14395	6.8
266.14700	1.1
276.13757	3.1
277.14459	20.8
287.12628	2.2
288.14005	1.4
289.14432	2.8
304.13293	1.6
304.16553	1.2
305.13956	100.0
306.14505	16.1
322.14252	2.2
329.21182	1.6
345.20883	6.0
346.21155	1.6
357.20578	2.5
359.18604	4.2
359.22467	1.1
361.20114	2.1
373.20154	4.8
374.20996	34.7
375.18045	18.4
375.21817	16.8
376.18790	5.4
376.22842	1.7
387.21799	3.7
393.95520	1.1
400.09006	1.2
441.30341	1.6
443.24182	2.2
444.25137	38.9
445.25665	10.8
453.24905	1.0
513.91040	1.1
628.36310	4.3
637.37231	3.1
665.41394	1.1
679.42798	5.9
680.42706	1.2
689.98401	1.4
697.43787	29.5
698.44635	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	697.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
63.02395	0.7
64.47919	0.2
65.00328	3.8
65.71261	0.2
83.01389	3.2
93.03469	1.7
95.05025	0.3
97.02929	0.5
107.01406	5.5
108.01656	0.2
108.99318	0.2
109.02953	1.6
117.03488	2.4
121.02984	0.3
123.04524	1.3
125.02455	2.2
131.05014	0.7
135.04538	3.1
137.02455	2.2
139.04001	0.2
147.04550	0.2
149.02412	0.5
151.00388	11.4
151.04016	0.7
152.00703	0.6
157.06570	1.3
158.03760	0.4
159.04532	8.1
160.04976	0.4
161.02457	6.6
161.06079	0.5
162.03026	0.2
165.01962	0.5
167.03395	0.2
169.01396	0.3
173.06136	0.3
175.04062	0.3
177.05583	2.1
179.03470	0.6
179.10039	0.2
183.04500	0.7
185.02458	0.3
187.00423	0.2
187.04068	0.3
188.04805	0.2
191.05643	0.2
201.05583	5.5
202.05939	0.4
203.03676	0.4
203.07191	1.1
205.05029	0.5
221.08252	0.3
227.03491	2.6
241.05020	0.3
243.03206	0.3
245.04538	100.0
246.04878	7.4
269.04303	0.2
287.05655	0.5
289.07162	9.9
290.07425	0.8
311.05063	0.2
407.09830	23.6
408.10101	3.1
698.18359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06079	0.3
59.01379	0.7
67.01905	0.4
69.89725	2.1
71.01390	0.7
81.03497	0.5
83.05022	0.6
85.02962	7.2
87.00869	1.8
91.05544	0.3
93.03471	3.7
107.05015	1.8
109.02977	0.7
111.04514	1.9
117.03456	0.5
127.04067	1.6
133.02977	1.0
134.03766	4.1
135.04544	56.1
136.04877	2.2
137.02443	0.5
155.03543	1.3
161.02438	4.0
171.03011	0.6
173.04558	2.8
179.03513	51.2
180.03847	2.6
185.16328	0.3
191.05626	100.0
192.05978	4.3
332.23303	0.4
353.08786	83.4
354.09137	9.7
354.15887	0.4
531.06696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
57.35984	0.6
59.01379	1.0
63.02388	1.1
65.00326	16.8
71.67850	1.2
74.02475	0.8
83.01395	6.4
95.01378	0.6
104.42643	0.7
107.01405	24.4
108.99277	0.6
109.03001	1.0
111.00905	0.8
121.02961	0.7
123.00890	0.7
123.04541	6.8
124.01678	2.5
125.02458	24.9
133.02971	2.9
135.04541	2.7
137.02470	0.7
149.02446	2.8
150.03247	11.7
151.00391	100.0
151.04010	18.1
152.01196	14.5
152.04314	1.0
153.01894	2.2
169.01439	3.0
175.04031	5.6
176.01190	1.1
177.01949	4.8
178.99861	20.4
180.00360	0.6
181.01430	0.8
185.06203	0.7
187.03981	0.9
191.05641	1.2
199.04012	3.8
201.01874	0.7
211.03847	0.8
215.03497	1.0
216.04198	0.7
217.05074	3.3
241.05035	3.0
257.04517	1.0
259.05954	1.3
275.05579	1.9
285.04044	54.9
286.04352	4.8
297.09726	3.2
302.04355	2.4
303.05106	30.2
304.05435	2.6
323.07843	2.5
421.96399	0.7
431.09756	1.5
449.10907	77.4
450.11288	9.6
503.15262	0.7
650.77679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52747	0.6
78.95912	26.2
80.02688	0.8
81.03485	0.9
83.05036	2.9
90.48956	0.5
96.96973	2.1
133.46124	0.6
152.99614	30.3
153.99930	0.7
163.11311	3.1
165.12912	1.8
171.00665	5.3
197.11891	1.7
209.11836	37.2
210.12193	3.1
227.03175	0.8
227.12862	7.0
229.40459	0.8
231.89272	0.5
253.21672	0.8
255.23291	100.0
256.23642	8.4
363.12134	6.3
364.12424	1.0
437.15887	6.0
438.16083	1.0
443.28915	0.8
455.16858	1.5
456.17361	0.7
457.17926	1.0
465.26288	0.7
693.40039	96.6
694.40405	22.9
694.52466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01367	0.7
62.30511	0.1
67.01877	0.2
71.01391	0.6
73.02941	0.2
78.95881	0.1
83.05022	0.2
85.02958	5.7
87.00880	1.3
93.03467	2.8
96.96003	0.4
99.04511	0.2
99.92597	0.3
105.03515	0.1
109.02989	0.6
111.04546	0.8
113.02396	0.2
116.92060	0.2
116.92874	3.1
117.92872	0.2
119.05000	0.7
125.02502	0.1
127.04040	1.3
133.02963	0.8
134.03767	0.3
135.04553	3.3
136.04845	0.2
137.02496	0.2
151.03990	0.2
151.07655	1.4
155.03456	0.3
161.02449	1.9
163.04015	1.5
164.04395	0.1
171.03032	0.4
173.04559	1.4
174.04955	0.2
177.01909	0.2
177.05595	0.2
179.03500	3.8
180.03865	0.3
191.05621	100.0
192.05969	4.2
215.05598	0.1
235.35114	0.1
337.09213	0.6
340.10092	0.1
341.08804	0.6
344.45654	0.1
351.07217	0.3
352.07721	0.1
353.08783	14.9
354.09140	1.7
357.11929	0.9
369.08276	0.3
445.43729	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	693.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.6
61.98831	29.8
62.91407	1.8
71.01394	4.6
89.58703	1.6
101.02433	3.0
111.31836	1.7
113.02486	2.0
125.02411	1.9
129.25578	2.0
129.26498	2.0
132.56293	1.7
134.66759	1.8
163.11296	2.3
171.10283	6.7
172.13397	1.6
183.13908	3.2
209.11823	71.8
210.12280	4.9
211.13393	100.0
212.13731	7.5
227.12878	23.0
228.13112	2.3
229.35840	1.9
235.08237	5.5
253.09290	5.9
295.22946	4.0
405.92828	2.1
445.20746	3.9
447.22269	19.5
448.22900	3.0
509.49597	2.0
621.32324	3.3
639.33826	6.0
640.33655	3.0
693.32727	41.8
694.33221	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	693.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
59.01371	0.3
65.03954	0.2
67.01888	0.3
69.03464	0.7
71.01388	0.3
71.30299	0.3
72.99309	0.2
75.00877	0.3
80.02682	0.3
81.03463	2.8
83.01390	2.9
85.02966	0.3
89.39622	0.2
93.03461	1.9
95.01392	0.7
95.05033	3.5
97.02966	5.6
98.03310	0.2
99.04550	0.4
101.02509	0.2
105.03456	0.3
105.08324	0.2
107.05050	0.2
108.02208	0.9
109.02970	22.5
110.03297	0.8
111.04514	0.3
121.02981	3.2
122.03797	0.9
123.04543	14.9
124.01701	0.3
124.04870	0.6
125.02467	14.7
126.02811	0.5
131.05028	0.3
133.02968	0.5
135.04533	1.7
137.02461	8.9
138.03134	0.7
139.04027	3.3
145.02966	0.8
146.03790	1.2
147.04510	0.4
149.02466	3.2
149.06053	0.2
150.03279	1.2
151.04024	8.5
152.04369	0.5
157.06668	0.3
159.04558	2.6
160.05289	1.5
161.02472	1.1
161.06108	4.2
162.03268	1.7
163.04039	1.1
164.01169	2.8
165.01961	3.8
166.02591	0.5
167.03537	2.3
173.04620	0.3
173.06073	0.9
174.03252	0.6
174.06895	0.3
175.04024	2.1
175.07675	2.0
176.07967	0.2
177.02000	0.2
177.05586	0.6
179.03510	5.9
180.03902	0.5
185.06107	1.0
187.04024	4.9
188.04788	3.5
189.05145	0.3
191.05602	2.0
192.05933	0.5
193.06172	0.2
199.07626	0.6
201.05602	1.0
202.06293	2.1
203.07146	12.8
204.07457	1.0
205.05064	7.2
206.05396	0.5
211.03976	0.3
212.04794	0.5
217.05090	0.3
217.08640	0.5
221.08195	2.7
222.08562	0.3
225.07751	0.3
227.07140	2.3
229.04973	0.3
230.05922	0.6
231.03000	0.5
241.14418	0.2
243.03029	0.3
245.08185	15.5
246.08533	1.6
247.06033	1.0
261.04071	0.5
261.35239	0.2
271.06015	0.9
289.07181	100.0
290.07529	9.3
297.13113	0.3
298.13742	0.2
299.11432	0.9
300.45480	0.2
354.72870	0.2
407.58566	0.2
526.17017	0.2
557.88641	0.2
581.29547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.72252	0.7
78.95909	31.6
80.02683	1.7
81.03484	1.7
83.05031	7.1
84.02180	1.2
95.05011	1.0
96.96980	3.0
100.96878	0.5
104.72379	0.5
106.21218	0.5
114.89557	0.5
117.69883	0.4
125.06096	1.0
135.08183	0.8
145.99867	0.4
149.85104	0.5
152.99611	52.6
153.99963	1.1
163.11314	5.8
164.11604	0.5
165.12834	4.3
171.00650	5.8
181.12282	0.7
191.10794	1.4
209.11842	100.0
210.12167	7.4
225.32195	0.5
227.03314	3.7
227.12904	9.0
245.04369	1.4
253.21721	20.7
254.22089	1.5
363.12140	8.2
437.15750	5.4
438.16037	0.9
455.16861	85.2
456.17230	9.0
532.59448	0.6
691.38470	85.6
692.38855	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96186	0.4
55.01879	0.6
55.67794	0.4
57.03451	2.0
57.44402	0.4
58.00601	0.6
59.01381	7.1
61.98833	2.9
62.78785	0.4
67.44247	0.4
68.63702	0.4
69.03470	0.8
70.58853	1.3
71.01391	16.8
72.01711	0.5
72.92946	0.4
72.99323	0.5
73.02952	1.8
80.02677	1.1
80.11183	0.4
81.03454	1.0
83.01397	1.2
83.05035	4.2
83.47757	0.4
84.02184	1.0
85.02959	1.6
87.00884	1.3
89.02464	3.8
94.32312	0.4
95.01427	0.5
95.05032	1.5
97.06607	4.5
99.00893	0.8
101.02467	5.9
109.06612	1.3
113.02496	2.8
119.03490	0.9
125.02492	0.9
125.06085	0.6
125.09723	1.4
125.24052	0.4
133.10271	0.8
135.08174	0.8
145.05092	0.6
149.09741	0.7
151.11304	14.7
152.11668	0.8
153.02029	0.4
161.04559	1.9
163.11324	4.5
164.11607	0.6
165.12921	2.0
169.12363	72.5
170.12706	3.7
171.10291	8.0
172.10669	1.0
181.12465	0.9
183.13930	1.0
185.11841	1.0
191.05714	0.5
191.10828	1.6
195.10223	1.2
197.11877	2.8
199.09816	1.4
199.13411	1.4
201.11354	1.8
207.10289	2.7
209.11850	58.2
210.12152	6.0
211.13426	10.9
212.13799	1.2
213.11311	9.4
225.11369	1.9
226.11703	0.6
227.12936	6.5
228.13158	0.5
235.08281	2.0
243.12323	0.5
253.09270	6.1
254.09422	0.4
259.15543	0.6
293.21161	1.4
304.96207	0.5
397.13458	0.7
401.23477	0.5
415.14777	0.6
419.24365	0.5
431.19473	1.3
449.20251	3.6
461.21460	0.5
463.20508	0.6
637.32910	3.0
638.32782	1.1
641.31970	1.7
655.33325	1.7
659.32935	100.0
660.33295	22.7
691.35669	10.4
692.36322	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	691.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15712	0.2
55.01874	0.5
57.03438	0.5
58.00590	0.7
59.01382	15.7
61.98830	2.0
68.99808	0.3
69.03458	0.9
71.01389	21.2
72.01717	0.7
72.99313	1.1
73.02960	1.9
75.00887	0.5
81.03468	0.8
83.01404	1.9
83.05044	0.5
85.02959	3.1
85.52430	0.2
87.00890	2.9
89.02458	11.2
91.03996	0.3
93.03486	0.3
95.01402	0.8
95.05022	0.3
97.02955	2.0
97.53078	0.2
99.00884	0.9
101.02459	10.3
109.02975	0.3
109.06579	0.5
111.00848	0.3
111.04522	0.4
111.08174	0.4
113.02463	5.1
113.09627	0.2
115.04084	0.3
119.03520	3.5
123.04618	0.3
125.01618	0.3
125.02462	3.1
125.09710	0.6
127.11263	0.2
131.03487	0.3
139.04047	0.3
141.01997	0.3
143.03551	1.7
143.04536	0.3
149.04623	0.3
155.10768	0.4
161.04567	2.3
163.11324	0.5
167.10805	0.4
169.12346	0.4
171.10294	7.3
172.10657	0.4
177.13029	0.2
179.05617	2.9
179.14441	0.7
181.12360	0.4
183.10384	0.2
183.13965	1.1
185.11945	0.3
195.13924	7.2
196.14464	0.8
197.11873	1.0
197.15259	0.2
198.12207	0.2
199.09796	1.2
199.13405	0.6
201.11368	1.8
201.28944	0.2
205.12395	0.6
205.15947	0.5
207.10358	1.4
209.11853	3.4
210.12183	0.7
211.13431	10.4
212.13741	0.8
217.07123	0.2
221.06676	1.1
223.13408	5.8
224.13838	0.6
225.11400	1.2
225.14931	0.3
227.12880	1.0
228.13525	0.7
229.44511	0.3
231.21082	0.3
235.08261	3.2
253.09256	2.7
256.13156	1.0
263.07718	0.6
265.21567	0.3
275.20187	3.7
276.20450	0.5
287.07742	0.9
293.21222	100.0
294.21570	10.6
305.08817	0.6
323.09775	0.4
379.12729	0.3
397.13528	23.1
398.13763	2.2
401.23312	0.3
415.14572	27.6
416.14932	2.7
439.23630	0.2
443.01419	0.2
443.19006	0.2
461.20328	0.2
534.17566	0.5
613.74268	0.3
637.32550	0.3
654.27936	0.7
659.33527	0.4
673.34558	0.4
691.35608	2.2
692.36353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87156	0.2
57.03408	0.2
58.00581	0.3
59.01377	2.1
61.98817	0.5
67.82623	0.2
71.01386	2.2
71.48802	0.4
73.02924	0.5
80.02683	0.8
81.03468	0.8
83.01379	0.3
83.04559	0.3
83.05032	3.8
84.02170	0.6
85.02951	0.6
87.00880	0.3
89.02449	1.5
93.03471	0.2
95.01397	0.2
95.05017	0.4
97.02968	0.3
101.02467	1.9
109.06573	0.3
111.08160	0.2
113.02480	0.9
119.03505	0.4
125.02529	0.1
125.06078	0.5
125.09750	1.1
127.11335	1.0
135.08177	0.4
143.03505	0.2
145.05020	0.2
146.58420	0.1
155.10815	0.4
161.04613	0.8
163.11313	2.7
164.11610	0.2
165.09161	0.3
165.12866	2.1
171.10295	1.3
172.10605	0.2
179.05702	0.2
181.12395	0.5
191.10818	0.7
195.15868	0.1
199.09737	0.5
199.13412	0.2
201.11343	22.0
202.11746	1.2
207.10349	0.2
209.11848	100.0
210.12193	7.4
220.40359	0.1
225.11249	0.3
227.12901	15.3
228.13173	1.2
235.08247	3.0
247.13441	0.2
253.09294	8.0
254.09671	0.5
289.07257	0.2
296.87805	0.2
325.95422	0.2
375.21936	0.6
377.65250	0.2
393.22964	0.6
411.23810	0.2
419.19394	0.2
419.24692	0.2
437.20282	1.0
445.20743	2.8
446.21167	0.3
463.22037	0.5
611.31189	0.5
629.32397	0.4
637.32544	0.5
647.33099	0.2
655.33026	0.3
673.33893	0.2
701.76709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
63.02401	3.5
64.25832	0.4
65.00327	6.4
69.44234	2.2
69.44670	2.0
71.01389	3.1
73.02944	0.6
83.01399	3.8
85.02978	1.3
89.02470	2.8
93.03472	1.9
95.01419	0.9
101.02454	2.3
107.01412	12.7
109.02968	1.4
111.08186	0.9
113.02455	2.7
119.03548	0.8
121.02970	10.8
122.03226	0.4
125.02450	1.1
127.11396	0.4
137.02496	0.4
139.04105	0.9
149.02489	1.4
151.00397	41.4
152.00778	1.5
159.04645	0.5
161.04585	1.1
163.00394	0.7
164.01151	1.2
165.01924	0.5
165.12862	18.1
166.13202	1.3
169.01495	2.7
178.99879	17.3
179.01489	0.6
179.05516	0.6
180.00262	0.8
183.13921	47.5
184.12733	0.6
184.14238	3.1
191.05656	0.5
193.01445	0.9
197.15424	0.9
201.11267	0.8
207.13919	1.3
209.11792	3.8
225.14970	0.8
227.12898	100.0
228.13239	5.7
229.05103	1.3
243.02843	0.4
245.04774	0.9
251.12935	3.1
253.09183	0.5
257.04562	1.0
269.13989	1.0
273.03873	2.2
289.06937	0.5
293.14142	0.7
299.14941	0.6
301.03543	68.4
302.03900	5.8
303.04102	0.5
307.87933	0.4
329.16068	1.4
389.18179	27.3
390.18506	2.4
664.84418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15447	0.1
56.98792	0.1
57.03450	0.1
59.01368	0.9
60.99297	0.1
61.98834	0.1
64.87206	0.1
67.01887	0.3
69.03475	0.1
70.24938	0.3
70.25330	0.2
71.01393	0.8
73.02948	0.3
77.48041	0.1
80.49481	0.1
81.03468	0.3
83.05038	0.3
85.02959	6.1
86.03304	0.3
87.00879	1.4
93.03471	3.2
94.03825	0.2
99.00903	0.1
99.04519	0.3
105.03502	0.2
108.02128	0.1
109.02975	0.6
111.04533	1.1
113.02448	0.1
115.00394	0.2
119.05051	1.1
123.04525	0.2
125.02492	0.3
127.04038	1.8
133.02971	1.5
134.03354	0.2
135.04538	1.5
136.04893	0.1
137.02417	0.2
139.00543	0.1
151.07631	0.2
155.03511	0.4
161.02461	2.6
162.02771	0.1
163.04019	1.3
167.03479	0.2
171.03018	0.4
173.04568	2.0
175.02449	0.1
177.02032	0.6
179.03548	1.2
191.05626	100.0
192.05984	4.3
215.46425	0.1
227.07132	0.4
255.10236	0.7
256.10715	0.1
277.03564	0.3
319.04587	0.1
337.09302	0.3
343.08295	0.3
351.07236	0.2
352.07620	0.2
353.08777	22.8
354.09119	2.2
357.11792	0.2
361.15039	0.3
404.62103	0.1
463.11133	0.1
499.12030	0.2
517.13568	0.4
691.18878	2.6
692.19452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56002	0.3
52.64094	0.3
59.01377	0.7
59.04945	0.3
69.83380	2.1
70.32076	0.3
71.01381	0.7
79.29945	0.3
81.00952	0.3
81.03477	0.3
83.05054	0.7
85.02959	5.3
87.00898	1.3
93.03468	3.5
109.03014	0.5
111.04548	2.2
119.05044	34.5
120.05419	1.6
127.04014	1.6
133.02959	0.4
135.04547	1.9
137.02478	0.4
155.03522	1.8
161.02487	1.1
163.04027	66.3
164.04361	4.1
165.77925	0.3
171.03000	0.4
173.04550	3.9
179.03500	0.8
191.05624	100.0
192.05960	4.2
221.01956	0.3
264.62534	0.3
314.68829	0.3
322.94302	0.3
337.09283	33.4
338.09607	4.3
353.08780	12.9
354.09146	1.3
406.66602	0.3
691.18500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.79900	0.2
68.72942	0.2
69.77780	1.7
71.01387	0.8
76.71624	0.2
81.03490	0.3
85.02962	6.5
87.00896	1.0
90.74464	0.2
93.03481	2.3
94.03788	0.3
106.68004	0.2
108.49722	0.2
109.02974	0.7
111.04545	1.0
125.11667	0.3
127.04037	1.5
133.02985	1.0
135.04524	0.5
153.93298	0.2
161.02480	2.2
163.04019	0.2
171.02998	0.4
173.04573	1.6
173.05797	0.2
179.03522	0.5
191.05627	100.0
192.05986	4.8
195.90829	0.3
223.77122	0.2
263.38821	0.2
337.09210	0.4
351.06873	0.2
353.08792	20.6
354.09143	2.2
490.46600	0.3
691.18646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.5
69.55493	1.3
69.55893	4.8
73.19212	0.6
78.95909	33.9
81.03458	1.0
83.05032	1.2
88.77841	0.6
96.96999	3.5
97.02964	5.3
99.00905	2.1
109.06605	17.1
110.03767	1.6
110.06971	1.0
112.20092	0.6
121.06637	0.9
125.09745	0.7
135.08209	1.9
136.05319	1.6
142.02745	1.7
149.70140	0.5
150.98076	0.6
152.99605	55.0
154.00041	0.8
161.09729	1.2
163.11310	11.4
171.00639	5.6
181.12373	15.4
182.12659	0.6
201.70679	0.6
207.10275	47.9
208.08932	0.6
208.10547	3.4
225.11324	63.2
226.11620	3.9
227.03239	4.9
245.04324	2.1
253.21707	21.2
254.22090	2.5
361.10614	8.1
435.14282	6.5
436.14731	1.1
453.15314	100.0
454.15643	11.5
689.36926	60.6
690.37195	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	689.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03449	3.2
58.00605	1.7
59.01381	28.7
61.98832	8.2
63.24027	0.6
69.03462	3.1
71.01387	55.1
71.05032	1.5
71.72128	1.1
72.01743	0.9
72.99316	2.4
73.02940	4.5
75.00851	0.8
80.02747	1.2
81.03465	2.2
83.01405	2.7
83.05031	6.0
84.02176	1.4
85.02960	6.7
87.00890	7.0
88.98822	2.2
89.02449	17.6
89.52206	0.6
95.01398	2.5
95.05050	3.1
95.17070	0.7
97.02968	5.0
97.06607	1.2
99.00901	3.0
99.04576	0.9
101.02457	19.0
109.02983	1.8
109.06606	6.4
111.04539	0.9
111.08174	8.6
113.02463	8.8
115.92086	0.7
116.92907	1.0
119.03512	5.3
121.03014	1.5
121.06641	1.0
123.04554	1.0
125.02473	8.2
125.06069	1.0
125.09728	2.5
127.11340	0.9
131.03539	0.8
133.05104	0.9
135.08186	1.0
137.02496	1.3
137.09717	1.4
141.01947	0.7
143.03523	2.5
145.05061	0.9
149.09735	1.3
151.11296	1.0
153.12775	0.9
155.10767	0.8
161.04623	4.4
161.09825	0.8
163.11302	8.1
165.01984	1.1
165.12849	3.7
167.10808	2.8
169.12349	1.1
171.10283	19.3
172.10594	1.2
177.12827	2.2
179.05666	3.7
179.10794	2.6
181.12337	3.2
183.13947	8.5
185.11865	2.3
189.09267	1.4
191.05634	3.3
193.12349	1.0
195.13953	5.7
197.11827	7.7
198.12245	1.0
199.09760	0.9
199.13420	3.4
201.11343	8.8
207.10272	18.2
208.10576	1.5
209.11839	91.6
210.12160	9.8
211.13432	38.7
212.13680	2.9
215.12921	2.7
221.11812	1.3
223.09831	1.2
225.09145	1.4
225.11324	20.0
225.76936	0.7
226.11726	1.5
227.12906	19.7
228.13188	2.0
235.08263	10.4
241.14516	3.7
242.14731	2.0
243.12338	1.0
243.15030	1.0
247.20720	2.3
253.09286	11.7
273.18793	1.1
277.09534	0.7
287.07727	1.1
289.07193	0.9
291.19647	100.0
292.19998	10.9
305.08728	0.8
323.09772	0.9
391.24747	0.8
397.13510	45.0
398.13785	4.6
399.21927	0.8
415.14581	25.7
416.14801	1.9
420.22705	0.7
445.20517	1.5
447.22052	2.3
461.20273	3.6
463.21408	1.5
504.87131	0.7
609.78241	0.9
635.30463	1.3
653.31848	2.5
657.32672	1.1
671.32959	4.6
672.33124	1.1
689.34027	12.4
690.34161	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	689.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.4
54.89340	0.4
57.03445	1.0
58.00590	0.8
59.01378	6.5
61.30961	0.4
61.98830	6.6
64.39246	0.3
69.03456	0.6
69.88043	1.7
69.88457	0.6
71.01385	57.7
71.05028	0.9
72.01723	1.2
72.99313	0.8
73.02936	3.0
78.95915	1.6
80.02683	1.5
81.03463	2.5
83.01388	0.6
83.05034	6.1
84.02174	1.3
84.20332	0.3
85.02958	2.7
87.00890	1.9
89.02451	2.7
93.03460	0.7
93.38828	0.3
95.01392	1.0
95.05036	1.9
97.02964	2.7
97.06580	0.4
98.19933	0.7
99.00888	1.7
101.02452	3.6
106.04256	0.4
109.06600	7.9
110.03753	0.6
111.04503	0.9
111.08157	0.6
113.02483	2.5
119.03555	0.4
121.06633	0.8
123.04447	0.5
123.08209	0.5
125.02424	0.5
125.06110	1.1
125.09757	2.8
127.11288	1.6
135.08168	2.3
136.05273	0.6
138.52533	0.4
139.07671	0.5
139.11267	0.4
141.01901	0.3
142.02745	0.9
143.03497	0.9
145.05080	0.9
147.08148	0.4
147.11844	0.4
149.09688	0.5
152.99632	0.8
155.10767	0.9
161.04602	2.2
161.09726	1.1
163.11298	10.9
165.09233	0.5
165.12828	2.6
167.10751	0.5
171.10286	30.3
172.10590	1.9
179.05608	0.6
179.10765	0.6
181.12401	3.6
183.10353	0.5
184.61011	0.3
185.11867	2.3
187.09743	0.5
189.09238	1.0
191.10805	1.2
197.11807	1.3
199.09811	1.0
199.13454	1.5
201.11342	14.2
201.13203	0.8
202.11726	0.7
202.37329	0.4
203.00383	0.4
207.10283	21.3
208.10620	1.7
209.11847	100.0
210.12166	7.8
211.13319	0.5
215.12964	1.6
221.11896	0.4
223.13387	0.6
225.11337	24.2
226.11620	2.7
227.12895	12.2
228.13142	0.7
233.11836	0.7
235.08218	2.9
239.12779	0.4
243.12372	1.7
249.11415	0.4
251.12872	1.3
253.09279	10.4
254.09654	0.8
263.12903	0.4
264.89688	0.4
295.10318	0.8
399.21722	1.3
407.19199	0.6
417.22855	1.6
435.23804	0.4
443.19226	1.0
448.48477	0.4
461.20300	4.4
462.20248	0.7
479.21118	0.6
487.21469	0.7
618.03522	0.4
635.30908	1.0
636.30963	0.4
653.31787	2.3
654.32251	0.7
657.33551	0.5
671.32770	3.5
672.33514	1.1
689.34180	5.8
690.34436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.6
53.54733	0.5
55.92324	0.4
57.03456	1.1
57.23590	0.5
58.00582	0.8
59.01382	8.3
60.92119	0.5
71.01389	59.4
71.04987	0.6
71.28751	0.6
71.29099	1.0
72.01726	0.8
72.99313	0.5
73.02948	3.1
75.40616	0.5
80.02676	1.7
81.03464	2.7
81.96943	0.4
83.01404	0.7
83.05032	6.6
84.02176	1.6
85.02972	2.5
85.95594	0.5
87.00880	2.7
89.02458	2.4
95.05026	2.2
97.02972	2.6
97.06625	0.7
98.78107	0.5
99.00911	1.3
101.02475	3.6
109.06609	8.0
110.03734	0.8
111.04546	0.6
113.02471	2.4
121.06622	1.2
125.02517	0.5
125.06060	0.8
125.09692	2.5
127.11301	1.6
135.08180	2.0
139.07674	0.7
143.03494	1.1
145.10204	0.6
155.10788	1.4
161.04582	1.4
161.09691	0.8
163.11305	10.3
164.11653	0.7
165.12851	2.6
171.10295	30.6
172.10654	1.6
179.05598	0.6
181.12399	4.4
182.12639	0.6
183.10243	0.6
185.11877	2.2
188.21814	0.6
189.09309	1.0
191.10828	1.2
197.11821	1.5
199.09819	1.0
199.13400	1.2
201.11343	15.6
202.11641	0.9
207.08311	1.1
207.10283	20.9
208.10614	2.0
209.11847	100.0
210.12154	7.5
215.12865	1.5
223.13319	0.8
225.11330	27.2
226.11697	1.9
227.12903	10.4
228.13303	0.7
235.08185	3.5
243.12404	2.0
247.32706	0.5
251.12852	1.4
253.09291	10.9
254.09674	0.7
263.12900	0.6
265.14432	0.7
281.13968	0.7
399.21777	1.2
405.17395	0.6
417.22845	1.0
436.13486	0.5
443.19107	1.3
461.20349	4.6
479.21640	0.8
538.02350	0.6
618.86975	0.6
635.31189	1.3
636.47504	0.5
653.32123	2.6
671.33020	3.6
672.33502	1.3
689.34180	3.4
690.33868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
63.02404	3.3
65.00317	3.8
67.01887	0.5
68.99818	0.5
69.78284	3.3
70.40929	0.4
71.01402	0.7
77.52526	0.4
81.03458	1.2
83.01392	4.7
91.01923	0.8
93.03422	0.6
95.01394	4.5
98.19873	0.7
107.01414	8.5
108.02197	1.5
109.02968	53.7
110.03320	2.2
111.00874	0.5
117.26642	0.4
119.01376	0.7
121.10245	2.2
123.00888	1.2
123.04509	0.6
123.08201	3.2
124.01688	3.2
125.02464	7.9
133.02997	2.2
135.00916	5.4
135.04550	0.9
137.02469	1.7
139.00340	0.6
148.80385	0.4
151.00392	28.1
152.01169	12.0
153.01958	21.2
153.02922	0.3
154.02246	1.1
159.04539	1.1
161.02415	1.3
163.00392	50.9
164.00882	3.5
165.09225	47.9
166.09540	2.5
169.01474	3.3
173.04514	0.6
173.06046	0.5
174.03174	0.6
175.04019	1.3
177.01932	0.5
178.99881	23.7
180.00232	1.2
181.01418	1.9
183.04549	1.7
185.02316	0.7
187.04037	2.3
189.01901	1.0
190.99879	35.8
191.05795	2.7
191.06978	2.9
192.00212	2.1
199.04013	1.5
201.01967	0.6
201.05550	0.9
203.03523	2.3
206.99362	28.5
208.00102	11.9
209.08206	1.9
210.03264	0.4
211.04008	4.5
213.01976	1.1
217.05048	1.8
227.03493	11.1
228.03783	0.8
229.05147	1.0
230.02136	0.7
231.02954	5.0
232.03264	0.5
243.02989	0.7
245.04568	4.0
255.02972	13.0
256.03397	1.2
258.01700	1.4
271.02469	3.6
273.04010	5.0
282.01608	0.8
299.01978	13.4
300.02411	1.5
317.03033	100.0
318.03351	9.4
351.07275	0.6
371.13477	26.0
372.13733	2.4
689.17834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65906	0.5
57.03440	1.6
59.01371	1.1
63.02387	2.9
65.00336	3.5
68.99813	0.6
71.01366	1.1
71.71305	0.5
71.71704	0.5
73.02920	0.5
75.00856	0.6
78.68235	0.4
81.03440	1.0
83.01377	4.6
85.02948	1.7
91.01917	0.5
93.03448	0.9
95.01408	3.1
107.01392	8.2
108.02200	1.4
109.02968	51.9
110.03290	1.5
111.00866	0.7
113.02432	1.2
118.06643	0.5
121.02938	3.0
123.00896	1.4
123.08167	1.0
124.01672	2.9
125.02458	10.3
133.02972	1.7
135.00914	4.9
135.04510	1.0
137.02449	2.1
151.00383	28.0
151.04037	0.8
152.01186	12.0
153.01964	21.2
154.02324	0.8
159.04524	1.0
161.02463	2.5
161.04292	0.5
162.05653	6.3
163.00389	46.8
164.00792	3.6
165.01952	0.7
165.09221	15.1
166.09679	0.8
169.01476	3.4
173.02336	0.5
173.04526	0.9
174.03406	0.5
175.04004	1.7
176.01068	0.5
177.01959	1.4
178.99876	21.4
179.03394	0.7
180.00226	1.2
181.01454	1.9
183.04524	2.2
185.02513	0.8
187.04016	1.7
189.01970	0.9
190.99872	36.2
191.05608	5.1
191.07140	1.0
192.00200	1.8
199.04001	1.5
201.05562	1.3
203.03540	2.7
206.99356	27.0
208.00096	11.6
209.00587	0.9
211.04037	5.0
213.02026	0.8
217.05045	2.3
227.03502	11.6
228.03770	0.8
229.05029	0.9
231.02991	3.7
243.02991	1.2
245.04568	3.6
249.06102	1.3
255.02968	13.1
256.03409	1.0
258.01550	1.2
271.02481	3.5
273.04007	4.8
281.01163	0.8
289.06961	0.7
299.01981	13.2
299.05240	1.0
300.02298	1.8
317.03030	100.0
318.03372	9.4
323.05734	1.0
337.88046	0.5
351.07043	0.6
371.09647	2.4
371.13519	10.3
372.13922	1.3
417.09940	0.7
537.14117	1.0
689.19080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3259
Annotation	Kidamycin
Peak:m/z	Relative Intensity
50.85386	0.2
54.55676	0.3
55.01880	0.6
57.03443	1.0
59.01380	5.3
60.33165	0.3
61.98835	2.9
67.01877	0.4
68.05169	0.3
69.03462	4.9
70.06991	1.2
71.01383	5.9
71.05018	1.7
71.85413	0.3
72.99314	0.3
73.02953	1.0
75.00856	0.3
80.02676	1.1
81.03471	1.8
83.01402	1.0
83.05035	5.3
83.60288	0.3
84.02186	1.3
85.02974	1.5
87.00874	1.5
89.02438	2.4
93.03394	0.3
95.01399	0.6
95.05064	0.9
97.02964	1.0
97.06614	1.0
99.00895	1.0
101.02452	4.9
104.21278	0.3
109.06607	1.2
110.03691	0.3
111.04544	0.6
113.02491	1.7
116.92883	0.5
119.03530	0.7
121.06605	0.4
123.08164	1.2
125.02466	0.6
125.06089	0.8
125.09750	2.9
127.11350	0.4
135.08214	0.8
137.09726	0.6
147.11832	0.4
149.09764	0.5
151.11340	2.2
153.12877	1.3
161.04575	1.4
161.09756	3.9
162.10139	0.3
163.11316	4.4
165.01935	0.4
165.12866	2.1
171.10287	2.9
179.10797	7.6
181.12358	1.3
185.11876	0.5
191.05655	0.7
191.10811	1.2
197.11848	50.8
198.12204	2.9
199.13399	1.1
201.11302	0.3
205.08710	0.6
207.10278	1.8
209.11845	62.3
210.12177	4.8
213.11514	0.3
223.09718	1.7
225.11401	3.0
227.12909	5.6
235.08217	0.8
241.10838	3.5
242.11035	0.4
243.12515	0.4
253.09279	3.1
279.63638	0.3
359.17279	0.3
426.05920	0.4
459.18604	1.2
461.20258	0.4
477.19815	1.6
525.27252	0.4
651.30627	0.5
661.70288	0.3
669.31104	1.3
670.31281	0.4
687.32495	100.0
688.32825	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83182	0.7
59.01443	2.1
60.93150	0.7
63.09844	0.7
69.03519	1.8
69.23425	0.6
69.39503	0.7
78.95512	1.7
78.96001	26.3
83.05108	0.7
96.97078	2.3
109.06693	0.8
124.34576	0.9
140.12859	0.9
149.09778	1.1
152.99608	40.1
155.37173	0.8
167.10902	3.2
170.99409	0.9
171.00812	3.4
179.10970	1.1
179.14481	4.2
195.13905	10.5
197.08273	2.0
205.12349	10.4
205.14011	0.8
223.13402	60.9
224.13788	5.8
227.03418	3.4
233.94882	0.8
245.04370	1.6
253.21727	24.8
254.22136	1.8
255.23418	2.5
256.23761	1.1
279.23340	0.8
281.24863	2.0
306.55688	0.7
359.12778	5.1
433.16238	1.8
451.17383	100.0
452.17764	11.6
471.59146	0.9
569.75763	0.8
686.45483	1.2
687.38733	38.4
688.39197	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	687.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03452	1.6
59.01377	7.2
61.98836	1.2
67.01879	0.3
68.99818	3.8
69.03467	1.5
70.74057	1.0
71.01388	15.7
71.05010	0.5
72.99308	1.8
73.02957	1.7
80.02684	1.8
81.03461	2.1
83.01394	1.7
83.05033	6.9
84.02180	1.4
85.02961	2.6
87.00884	2.2
89.02455	3.1
90.29242	0.3
93.03463	0.6
95.01389	1.0
95.05048	1.6
97.02950	2.1
97.06589	2.0
99.00918	0.6
99.04587	0.4
101.02458	4.5
106.04295	0.5
107.05045	0.7
108.02230	0.5
109.02953	1.1
109.06620	2.4
110.03756	2.7
111.00962	0.4
111.04541	8.4
111.05302	0.4
111.08176	0.9
113.02455	2.5
119.03520	0.6
121.02975	0.4
121.06594	0.4
122.03745	0.7
123.04559	1.5
123.08165	1.6
125.02439	0.5
125.06084	1.5
125.09740	4.2
126.10099	0.3
127.11303	0.7
135.04463	0.3
135.08185	1.6
137.09755	0.7
141.01994	0.3
143.03568	0.7
145.05110	0.6
149.06042	0.4
149.09720	0.7
151.07683	0.4
151.11304	2.9
153.09213	1.8
155.10818	0.5
159.08211	0.3
161.04547	1.5
161.09729	5.4
163.07687	0.5
163.11314	5.8
164.11674	0.4
165.12869	3.0
167.10806	0.7
169.12447	0.8
171.10292	36.0
172.10664	1.7
177.09253	3.1
179.05623	0.8
179.10797	8.3
180.11124	0.3
181.12386	0.6
185.11885	2.1
187.09793	1.3
191.10794	1.5
195.10262	1.5
197.11850	3.5
199.09766	0.9
199.13293	0.4
201.11401	1.7
205.08717	10.9
206.09042	0.7
207.10287	3.3
208.10606	0.3
209.11848	100.0
210.12198	6.6
211.13362	0.7
213.11320	4.0
221.11771	0.5
223.09776	30.1
223.13063	3.4
224.10132	1.3
225.11308	2.7
227.12900	15.8
228.13220	0.9
235.08257	3.9
235.13463	0.4
241.10770	3.2
241.14433	0.6
242.11102	0.3
251.12930	0.5
253.09297	9.4
263.12683	0.4
283.02258	0.3
345.20618	0.4
377.20523	0.4
379.19104	0.4
386.92377	0.3
392.05057	0.3
397.20203	1.0
405.17560	0.6
407.19345	1.4
415.21292	1.8
419.19019	0.6
433.22437	0.7
441.17758	1.1
445.20813	1.6
459.18448	5.1
459.23474	0.4
460.19061	0.8
461.20145	0.6
477.19708	1.5
581.29681	0.7
599.30554	0.5
623.30408	0.5
633.29285	1.0
643.29865	1.4
651.30353	4.9
652.30756	1.0
659.32922	0.6
669.31213	7.4
670.31427	1.4
687.32507	13.3
688.32770	2.7
702.84418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03462	1.4
58.00587	1.3
59.01377	10.5
61.98832	20.0
61.99147	1.6
68.99843	1.2
69.03470	1.9
71.01387	11.7
71.05025	0.9
71.71833	0.8
72.99319	2.4
73.02947	2.6
75.00883	0.7
78.95894	0.9
80.02698	2.1
81.03465	2.5
83.01393	1.8
83.05050	7.6
84.02149	0.8
85.02976	3.5
87.00912	2.1
88.98825	2.7
89.02453	5.5
93.03490	1.2
95.01392	1.8
95.05035	1.8
97.02967	2.3
97.06579	1.0
99.04528	0.7
101.02464	7.3
107.05055	1.2
107.08890	0.7
107.61504	0.6
109.02975	2.0
109.06615	3.8
110.03777	1.1
111.04552	4.0
113.02469	4.3
119.03542	1.8
121.06593	0.9
123.04505	1.6
123.08187	1.8
125.02509	3.7
125.06099	1.2
125.09734	2.6
135.08200	2.1
137.02470	3.4
141.01971	0.8
147.04451	0.8
150.03299	1.0
151.11295	2.5
153.12837	1.3
161.02490	1.1
161.04570	2.6
161.09782	3.6
163.11293	8.4
165.01958	2.6
165.12900	2.8
169.12360	13.9
171.10287	24.0
172.10614	1.1
177.05571	0.7
177.09203	2.1
179.05679	1.0
179.10796	3.7
181.12344	2.5
185.11839	2.3
186.06429	0.8
191.04192	0.8
191.05542	4.0
191.10753	2.1
195.10257	4.7
197.11838	31.9
198.12138	1.8
199.09850	0.9
199.13393	1.9
201.11383	2.7
205.08678	4.2
207.10274	12.0
208.10553	1.1
209.11841	100.0
210.12137	7.1
213.11317	2.6
215.12933	1.2
223.09790	13.1
225.11301	14.6
225.47874	0.8
226.11623	1.0
227.12885	14.5
235.08244	3.3
235.13387	1.0
241.10817	4.9
253.09253	9.5
261.11200	0.7
285.04135	0.9
289.07104	1.4
289.18271	1.1
338.37872	0.9
415.21182	1.2
441.17853	0.9
445.20663	0.8
459.18756	2.3
461.20200	1.9
477.19925	1.4
615.30499	1.9
633.29437	1.1
651.29926	4.7
669.31213	8.4
670.31335	2.0
687.32434	82.3
688.32843	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	687.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23425	0.1
54.32245	0.2
57.89087	0.2
59.01378	0.7
61.98824	0.2
67.01896	0.4
68.51871	0.1
69.07004	0.1
71.01389	0.8
71.71687	0.3
73.02933	0.2
76.78416	0.2
81.03477	0.3
85.02956	6.1
87.00872	1.1
93.03472	2.6
95.72519	0.2
99.04529	0.3
105.03443	0.4
109.02961	0.6
111.04541	1.1
125.02469	0.2
127.04013	1.6
127.07694	0.3
129.82147	0.2
133.02980	3.0
134.03316	0.7
135.03601	0.2
135.04565	1.1
137.02534	0.2
155.03435	0.3
161.02460	2.1
161.59720	0.2
163.04015	0.3
167.03555	0.2
171.03044	0.4
171.06616	0.6
173.04565	1.7
177.01974	0.8
178.02330	0.2
179.03519	0.7
191.05621	100.0
192.05962	4.5
197.04550	0.4
215.05554	0.3
295.06064	0.2
306.41129	0.2
333.12256	0.2
351.07352	1.0
352.07544	0.6
353.08777	20.7
354.09094	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	685.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
57.03448	2.1
58.00576	0.7
59.01379	10.4
61.98838	6.2
69.03468	3.7
70.58265	2.3
71.01389	100.0
71.05018	1.7
72.01723	2.6
72.99302	0.7
73.02958	5.3
78.29268	0.6
80.02675	0.9
81.03465	1.6
83.01408	1.7
83.05035	3.7
84.02180	0.7
85.02969	4.7
87.00900	3.4
89.02462	4.3
93.03469	1.2
95.01385	0.9
95.05032	2.5
97.02940	3.6
97.06602	1.5
99.00897	2.5
101.02459	6.9
107.05047	1.2
109.06603	9.5
110.03751	1.0
110.06986	0.7
111.00912	0.6
111.04520	0.9
111.08248	0.7
113.02483	4.6
115.94447	0.7
119.03500	1.1
121.06617	1.2
123.04506	0.7
123.08153	1.3
125.02471	1.0
125.09753	3.2
127.11262	0.8
135.08182	2.0
136.05350	0.6
139.07697	1.0
142.02707	1.3
143.03529	1.0
145.05080	1.4
145.10243	0.7
145.60170	0.7
153.09250	0.8
155.10817	0.9
161.04608	2.4
161.09734	1.0
163.11317	7.6
167.10803	4.5
171.10294	15.4
175.11137	0.8
177.12831	1.6
179.03357	0.6
179.07033	0.6
179.10796	1.6
179.14417	2.5
181.12384	4.1
185.11833	1.8
187.09816	0.6
189.09224	1.2
191.05621	1.1
193.12393	0.9
195.13939	10.3
196.14206	1.0
197.11832	2.6
199.09744	1.0
199.13380	1.3
201.11324	13.1
202.11703	0.7
205.12338	9.4
207.10286	25.6
208.10535	2.0
209.11839	19.2
209.13759	1.3
210.12143	1.1
211.13406	1.9
215.12854	1.5
219.13901	0.7
221.11807	7.4
223.13397	81.8
224.13716	5.5
225.11327	24.1
226.11629	1.2
227.12843	2.3
235.08214	6.0
235.13374	0.7
236.08453	0.6
237.14961	1.2
239.12881	13.6
240.13113	0.7
243.02988	2.3
243.12328	2.1
247.13437	2.8
253.09244	11.0
259.13318	1.1
263.12854	0.7
265.14322	1.6
271.02496	2.5
273.04092	3.2
277.09113	0.7
277.14450	0.9
279.23163	0.9
283.02432	0.7
299.01767	0.7
299.14731	0.8
341.06622	2.7
343.08353	3.8
351.23471	0.8
369.24588	0.7
385.23654	1.4
395.22211	2.6
403.24786	1.6
413.23285	6.2
431.24188	2.9
443.18988	1.7
449.25400	0.8
459.22437	4.6
461.20288	6.3
475.21527	1.6
479.21454	1.1
501.23550	0.9
631.31604	0.7
649.32495	5.5
650.32501	1.5
667.33392	9.1
668.33508	2.3
685.16095	1.6
685.34662	8.7
686.34784	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	685.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
58.92069	0.4
59.01376	4.2
59.05044	0.4
61.02955	0.5
61.98830	2.1
67.01878	1.2
69.03457	0.8
71.01390	4.2
71.71652	0.7
72.99296	0.9
75.00874	0.8
81.03468	1.1
83.05033	2.7
85.01025	3.6
85.02955	4.2
87.00879	5.0
87.04586	0.5
88.98853	0.4
89.02434	1.1
91.05440	0.4
93.03468	11.8
94.03780	0.7
97.02956	0.5
99.04505	0.6
99.08118	0.5
100.87411	0.5
101.02447	1.2
109.02953	1.6
111.00890	0.4
111.03814	0.7
111.04542	9.0
112.04852	0.4
113.00571	0.6
113.02438	1.8
115.00401	4.1
115.02095	0.4
116.92922	0.6
119.03551	0.6
119.92862	0.4
121.02911	0.6
123.04527	1.7
125.02435	1.7
127.02150	0.6
127.04014	1.5
129.01973	3.3
133.01459	10.0
133.02980	1.4
133.05054	1.4
134.03746	1.2
135.04553	7.2
137.02454	3.1
139.04001	0.6
139.39084	0.5
143.05191	1.2
143.31302	0.4
145.03021	1.3
149.02394	0.9
151.03989	1.4
155.03529	10.6
157.03154	0.6
161.02464	6.2
161.06055	0.4
161.08186	0.5
163.03955	0.7
163.11295	0.6
167.80954	0.4
167.84544	0.4
173.04575	6.2
179.03526	4.0
183.01036	0.8
187.04211	0.8
187.07785	0.6
191.05634	25.5
192.05919	1.5
199.04205	3.3
203.07019	0.7
205.05026	0.8
207.10291	1.1
217.05208	1.7
223.04099	0.8
227.13040	0.7
231.02988	0.6
234.54097	0.4
239.07654	0.4
241.05151	0.8
258.05307	0.4
268.05206	0.6
269.04761	7.3
271.06348	0.8
275.09106	1.2
282.05383	0.8
283.06213	2.2
284.02844	0.5
284.06348	0.5
285.07721	0.7
287.05917	0.7
289.07294	1.9
293.13922	0.7
300.09943	0.4
301.03540	0.6
301.07187	0.6
313.07150	0.7
325.10959	0.7
331.08176	1.7
331.11905	1.0
343.12137	0.6
349.13156	3.3
353.08679	0.5
361.09506	2.7
370.05344	0.4
379.10468	1.9
385.13358	0.5
419.13861	2.1
449.08853	0.8
459.16464	1.0
505.17337	11.6
506.17313	1.6
522.58264	0.5
523.18518	8.7
524.18646	0.8
546.60242	0.4
684.21716	0.8
685.21777	100.0
686.22070	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	685.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
60.10110	0.1
67.01885	0.4
71.01401	1.0
71.03353	0.5
73.02950	0.2
73.45375	0.1
81.03474	0.4
83.05027	0.3
85.02959	5.1
87.00880	1.5
89.02457	0.7
93.03471	2.6
95.01416	0.3
97.02980	0.3
99.04504	0.3
101.02448	0.4
109.02979	0.3
111.04532	0.7
113.02478	0.4
117.05582	0.3
119.03498	0.4
123.04591	0.1
125.02466	11.2
126.02811	0.4
127.04014	1.6
133.02959	1.2
133.39796	0.2
134.03732	0.5
135.04538	6.1
136.04874	0.4
148.94589	0.2
155.03499	0.3
161.02451	2.0
167.03490	0.3
168.00702	0.3
169.01440	23.8
170.01810	1.0
171.02997	0.5
173.04572	1.3
177.01917	0.3
179.03514	5.9
180.03822	0.2
191.05624	100.0
192.05966	4.6
195.89450	0.2
215.05589	0.2
240.31895	0.2
279.10831	2.5
280.11151	0.3
331.06686	9.2
332.06927	1.0
345.68637	0.2
352.07697	0.2
353.08774	20.7
354.09116	2.7
422.44504	0.2
601.72626	0.2
615.79279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
57.03450	0.6
58.00595	1.7
59.01381	33.2
60.01711	0.4
60.33163	0.2
71.01387	26.8
72.01728	0.5
72.99315	2.2
73.02974	0.7
75.00867	0.5
83.01402	0.9
85.02956	4.2
87.00882	2.0
87.90340	0.2
89.02454	35.8
95.01405	1.4
96.96021	0.6
97.02966	0.4
99.00869	0.4
101.02460	14.8
102.02833	0.5
113.02466	11.5
114.02797	0.3
115.04044	0.2
118.80943	0.2
119.03521	11.5
120.03848	0.2
125.02460	0.4
131.03531	1.7
135.04437	0.3
136.44524	0.2
143.03529	2.6
149.04593	1.1
161.04578	3.7
177.91902	0.2
179.05632	13.7
180.05974	0.4
191.05630	0.9
204.78233	0.2
216.03604	0.2
222.93164	0.2
250.32393	0.3
276.28229	0.2
341.10904	100.0
342.07156	0.5
342.11234	7.8
432.84799	0.2
454.03818	0.2
516.17383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70752	0.7
57.03456	4.5
59.01379	7.8
61.98812	2.0
69.78632	3.2
69.79057	2.5
70.64139	0.8
71.01382	4.7
72.99260	0.9
73.02997	0.7
73.27540	0.8
78.95906	1.7
82.97356	0.8
83.05024	1.0
85.02965	1.2
89.02441	4.5
95.01407	1.0
95.05032	1.3
97.06608	14.5
101.02462	3.3
113.02457	2.3
119.03448	0.8
123.08160	6.3
123.98198	0.9
125.09741	93.3
126.10072	3.8
127.82485	0.6
143.10788	0.9
169.08734	2.3
187.09770	72.6
188.10110	3.2
200.85686	0.6
209.11903	1.5
231.60826	0.7
253.09253	1.7
255.23125	0.8
277.21732	14.9
278.21997	1.3
405.17682	3.9
423.18665	13.8
424.19357	1.3
438.67166	0.8
458.71103	0.8
494.21005	0.9
501.17184	0.7
606.79602	0.8
621.71320	0.9
683.40332	100.0
684.40686	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
59.22576	0.4
62.66420	0.3
64.11506	0.4
71.01391	2.0
73.02947	0.9
85.02979	1.6
87.00883	0.5
91.05534	1.0
93.03461	0.5
98.20695	0.5
99.00929	0.4
101.02448	0.7
107.08683	4.0
109.02917	0.3
109.06609	4.9
111.04590	0.7
113.02444	0.5
119.05053	1.7
123.00958	0.3
133.02898	0.4
133.06609	1.0
135.04517	0.9
136.05286	0.4
151.07664	100.0
152.07996	5.1
155.03450	0.3
163.04050	1.8
173.04622	0.7
175.02534	0.4
177.05580	8.7
178.05835	0.6
179.03462	0.4
191.05627	16.3
191.07355	0.8
192.05972	0.8
195.06612	3.6
197.04593	0.4
202.55971	0.4
210.59155	0.4
243.02885	0.5
261.03931	0.6
337.52466	0.4
353.08704	2.5
354.09131	0.7
355.08484	0.4
357.11908	86.4
358.12274	9.3
521.40533	0.4
541.60791	0.3
639.69391	0.5
670.16473	0.5
683.17859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45140	0.1
57.03447	0.2
58.38886	0.1
59.01371	0.9
60.24409	0.1
60.99287	0.1
61.98832	1.0
66.72443	0.1
71.01377	0.8
71.71301	0.1
73.02946	0.3
76.85832	0.1
81.03458	0.2
81.27564	0.1
83.05026	0.3
85.02959	5.7
87.00877	1.5
88.33398	0.1
93.03474	2.4
94.03812	0.2
99.00942	0.2
99.04518	0.2
105.03465	0.3
109.02962	0.4
111.04523	1.0
113.02450	0.2
118.53403	0.1
125.02413	0.2
127.04031	1.5
127.04993	0.2
127.07692	0.1
133.02966	1.8
134.03337	0.4
135.04544	2.0
136.04903	0.1
143.03497	0.1
150.60452	0.1
155.03503	0.3
157.52814	0.1
161.02444	2.1
164.52715	0.1
167.03519	0.4
171.03043	0.4
171.06659	0.2
173.04561	1.9
174.04965	0.2
175.02463	0.3
177.01955	0.7
179.03540	1.9
191.05630	100.0
192.05984	4.0
195.03467	0.1
199.04085	0.1
205.44675	0.1
215.05598	0.3
243.03041	0.3
261.04086	0.3
349.11160	0.2
351.07297	0.4
352.07449	0.4
353.08783	19.7
354.09167	1.7
354.13312	0.2
458.44016	0.1
476.87573	0.1
656.84619	0.2
683.18427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48113	0.3
57.03439	0.4
59.01382	0.9
65.00328	1.7
67.70146	0.3
68.99823	0.4
69.63782	2.1
71.01367	0.4
81.03454	0.3
83.01405	1.1
85.02975	0.4
89.02480	0.3
93.03467	0.5
95.05054	0.6
97.02971	0.6
98.19782	0.6
107.01407	2.5
107.05046	0.5
109.02962	4.4
111.04593	0.6
112.67818	0.3
119.05042	0.5
121.02989	0.6
122.03791	0.3
123.04548	2.7
124.01785	0.3
125.02471	4.1
131.05058	1.7
133.02980	0.8
135.00874	0.4
135.04541	0.7
136.12285	0.3
137.02454	1.9
139.04019	0.5
143.05006	0.3
145.03020	0.3
145.06587	0.5
147.04588	0.5
149.02470	0.8
149.06090	0.8
150.03279	0.5
151.00397	4.3
151.04037	3.6
152.04474	0.3
155.03624	0.6
155.05064	1.7
157.03058	1.4
161.06168	0.8
163.04005	0.8
165.01938	0.7
167.03528	0.3
171.04544	0.6
173.04626	0.7
173.06104	2.7
174.03268	0.7
174.04626	0.3
175.02579	0.5
175.04030	8.2
175.07678	0.3
176.04399	0.8
177.01935	2.0
179.03520	1.2
185.06178	0.4
187.04065	0.6
188.04823	0.4
191.03548	1.5
191.05632	2.3
193.05092	1.3
196.42734	0.4
198.03203	0.8
199.04041	13.1
200.04337	1.0
201.01974	1.3
201.05635	0.4
202.02498	0.4
203.07205	1.9
205.05081	1.0
214.34209	0.3
215.03493	0.4
217.05080	3.6
219.03122	0.4
221.08203	0.3
229.01361	0.3
231.02998	0.7
233.04652	0.6
243.02983	52.6
244.03307	3.8
245.08173	2.4
246.08238	0.3
261.04028	100.0
262.04370	7.9
287.05499	0.4
289.07181	16.6
290.07648	1.6
351.13016	0.4
355.08337	0.4
393.08292	23.4
394.08691	2.9
430.20135	0.3
509.80051	0.4
683.18280	2.2
684.18073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20017	0.4
57.03441	0.8
62.10892	0.5
71.05022	0.7
71.06207	1.1
78.84869	0.4
79.01890	0.6
83.63911	0.5
93.30638	0.4
97.06612	0.6
99.08157	0.7
100.37955	0.5
101.06058	0.7
104.67895	0.5
111.04529	1.9
123.04549	2.2
125.06087	4.4
125.09722	1.1
137.09747	1.1
139.03996	0.9
139.11359	0.6
151.04031	9.8
152.04495	0.5
163.11343	0.6
165.05627	0.8
166.02704	1.3
167.03500	0.5
173.09523	0.5
177.01952	2.0
179.03453	1.4
179.10817	1.1
180.04257	2.2
191.10736	0.7
203.07098	1.0
207.10274	1.8
208.07266	0.8
209.08212	0.6
217.08690	3.2
221.08208	10.3
222.08942	4.6
223.09744	5.3
233.08130	0.8
235.09761	68.5
236.10223	9.2
247.09720	1.2
248.10062	0.6
248.63745	0.5
249.11333	3.6
251.12825	0.8
277.14804	0.5
279.12192	0.6
289.14450	1.8
301.21793	0.6
303.16074	0.8
304.16333	0.9
305.13821	0.5
333.17068	5.4
333.20819	0.5
334.17487	0.9
359.18570	2.4
360.19144	0.6
361.20193	0.8
374.20718	0.7
375.21735	2.3
376.22235	0.8
428.25711	1.5
429.22830	1.7
443.24243	0.8
579.39410	0.6
681.47583	100.0
682.47955	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
58.00595	0.6
59.01382	12.5
68.49292	0.4
71.01387	9.5
71.71665	0.8
72.99303	0.6
73.02950	1.1
75.00874	0.8
83.01403	1.1
85.02964	2.2
85.57050	0.4
87.00889	0.7
89.02457	9.5
91.01885	0.6
91.05555	0.4
93.03436	0.9
95.01420	1.0
101.02457	6.6
107.05079	0.5
107.08686	4.6
109.06608	4.9
113.02489	3.0
119.03523	3.7
119.05018	1.2
125.02537	0.7
133.06580	0.5
134.03709	0.7
135.04550	1.1
137.02484	1.3
151.07669	100.0
152.07991	5.5
163.04080	1.4
167.03481	0.7
173.04532	0.8
177.05585	8.4
179.03423	0.5
191.05626	6.9
192.05983	1.2
195.06622	3.9
198.07031	0.4
225.05615	0.6
226.06317	0.7
241.08746	0.6
243.02814	0.5
252.07799	0.8
253.08652	1.0
267.10248	0.9
269.11716	0.6
289.07150	0.6
323.13486	42.6
324.13885	4.2
337.09406	0.6
339.44565	0.4
353.08859	0.9
354.09082	0.7
357.11926	81.0
358.12228	9.2
519.15082	1.4
681.20654	3.7
682.20898	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95304	2.2
57.03457	3.8
61.45163	2.1
65.31666	2.5
70.95984	7.5
71.05026	9.0
72.43010	2.1
79.62344	2.1
80.06508	2.2
83.05064	2.7
83.22279	2.3
95.05025	3.1
101.06099	28.7
107.05056	4.8
122.03761	3.9
123.04574	3.5
125.06087	15.6
137.02451	2.4
139.11324	4.7
149.02478	2.9
149.06084	2.3
150.03287	6.9
151.04028	12.8
152.04807	3.3
163.04027	8.5
165.05544	3.6
175.03937	2.4
177.01891	4.6
177.05550	2.6
188.04839	2.9
189.05620	12.3
190.06306	4.2
193.12413	2.6
198.18611	2.3
203.07159	2.5
207.10378	3.5
219.06703	13.7
219.10127	3.7
221.08144	5.4
223.09798	3.3
233.08127	5.3
234.08897	4.8
235.09781	28.2
236.10358	5.5
247.09796	4.3
248.10588	3.1
259.17023	2.8
271.13440	2.5
273.11411	2.4
287.12906	3.8
289.14362	3.4
289.21704	4.2
290.15308	2.6
291.77075	2.8
301.14575	3.7
303.15976	19.5
311.16397	3.3
327.16092	5.7
329.17523	6.7
333.20566	3.5
336.54233	2.3
341.17462	3.2
343.22989	3.4
355.15213	2.5
355.19226	2.5
355.23123	2.4
358.21878	2.3
359.18390	2.9
369.20627	12.5
373.15784	3.6
373.20261	43.9
374.20670	6.1
385.20145	5.8
411.21396	2.6
412.22540	10.0
413.23370	25.5
421.77524	2.4
425.23264	8.3
437.26743	4.2
442.27258	2.6
453.26541	5.2
454.27005	8.4
481.29523	3.5
495.41769	2.7
507.31012	8.9
535.30487	8.5
559.37915	9.3
560.38446	4.3
569.38605	2.5
577.39044	29.5
578.39166	5.4
592.37720	2.7
661.44867	100.0
662.45276	27.7
679.46124	20.9
680.46362	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03436	2.6
70.15019	3.2
70.15438	1.4
70.51036	0.8
70.61531	0.7
71.01394	0.8
71.05029	20.9
79.01894	0.9
83.05028	1.0
85.06603	0.9
87.04497	0.9
88.11711	0.7
92.72426	0.7
95.05035	2.2
97.02939	1.5
98.20657	1.0
99.08170	1.2
101.06096	16.6
107.05038	1.3
109.02975	1.0
109.06547	1.0
111.04546	1.0
111.08189	1.0
121.02926	0.9
121.06633	1.8
123.04571	1.9
123.08176	1.8
125.02473	2.8
125.06106	18.0
133.06535	1.0
135.04564	1.1
135.08170	1.1
136.05322	1.0
137.02493	1.5
137.09705	4.6
138.03215	1.8
139.04042	1.0
139.11317	14.7
149.02437	1.9
149.05969	1.2
149.09740	1.1
150.03244	4.2
151.04024	11.3
152.04797	1.8
155.10722	1.4
159.08139	0.8
161.06042	0.8
163.04031	5.8
163.11331	1.5
164.04872	1.4
165.05536	2.4
166.02707	1.1
167.03447	1.0
167.14438	3.2
175.03986	1.5
175.07622	1.1
176.04707	1.0
177.01939	4.7
177.05615	2.9
177.09282	0.9
178.02670	2.0
178.06335	0.7
179.10835	2.1
180.04332	2.2
181.12285	0.8
187.07640	2.7
189.05602	3.1
189.09088	0.8
190.06435	1.2
191.03467	1.3
191.07167	1.7
191.10826	2.3
192.04187	0.8
193.12375	1.4
201.05676	0.9
202.06473	0.8
203.07104	1.2
203.14397	0.9
205.05077	1.1
205.08740	1.5
205.12428	0.9
206.09445	2.2
207.10150	1.3
215.07300	0.9
217.08739	2.7
219.06656	14.3
219.10242	2.5
219.17477	0.9
221.08226	6.3
221.15480	2.1
222.09010	2.4
223.09824	6.0
231.06671	1.3
233.08160	5.8
233.11736	1.1
234.08879	5.9
235.09766	38.4
236.10298	6.6
247.09772	7.8
247.16940	1.6
248.10374	2.5
249.11311	3.9
255.13882	0.9
259.13406	1.6
259.17096	1.6
261.11392	1.6
261.15048	1.2
266.08008	1.4
269.11884	1.3
273.11212	1.9
274.12036	1.4
275.12762	1.3
275.16507	1.3
277.14435	2.3
287.12964	1.6
288.13293	1.0
289.14517	2.7
289.21735	16.5
290.15387	2.0
290.22006	1.7
291.15857	1.4
299.12967	1.8
300.13708	1.5
301.14468	1.7
301.17914	1.1
302.14963	1.2
303.16025	24.9
304.16397	3.2
305.14041	7.4
311.16449	1.2
315.16135	2.5
316.16577	0.9
317.14041	1.4
317.17694	1.2
327.15817	2.2
327.19534	1.2
329.17590	4.4
329.21057	1.6
333.17166	1.5
333.20731	16.3
334.21170	0.9
336.16019	1.6
341.17435	2.0
341.21176	1.6
343.19113	1.7
345.24612	1.7
355.19131	2.7
356.19681	1.8
357.20688	2.1
359.18454	1.1
359.22476	4.5
361.20255	1.2
369.17288	1.0
369.20895	7.4
371.18323	1.2
371.22467	5.2
372.22626	1.2
373.20218	62.1
374.20660	10.5
375.21924	1.4
385.20316	2.9
387.21753	1.7
395.21985	0.9
397.14368	0.9
397.20087	1.1
412.22437	1.7
413.23276	2.5
427.25012	3.1
439.24786	3.6
440.25339	1.0
441.26407	2.9
442.27301	13.8
443.28040	7.8
453.26224	1.1
455.24326	2.2
481.29642	1.8
493.29440	0.9
507.31158	6.7
508.31714	2.2
511.38156	1.1
524.31213	1.4
559.37921	2.9
577.39081	41.4
578.39368	9.7
593.38226	1.5
595.40338	3.2
661.44995	11.4
662.45544	2.7
679.46039	100.0
680.46393	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	1.1
69.69689	0.9
72.00674	0.9
87.57890	0.9
101.06098	6.6
107.05035	1.1
121.19795	0.8
125.06100	22.0
133.16068	1.0
137.02435	3.8
137.09741	1.8
138.03305	1.1
139.03008	1.6
139.04030	19.1
151.04024	2.9
153.05556	3.7
166.02689	1.9
177.01938	2.4
179.03630	0.8
179.10773	1.1
180.04338	1.3
191.03470	2.1
196.07410	6.6
200.06894	3.2
205.05101	1.6
207.10356	1.1
217.12396	1.2
219.06664	4.5
219.10234	1.7
221.08235	6.9
222.08940	2.7
223.09711	2.7
233.08151	4.4
234.08855	1.9
235.09758	22.1
236.10297	3.2
243.10313	1.0
245.08279	1.3
245.87257	1.1
246.08936	1.2
247.07338	1.8
247.09746	24.9
248.10263	2.7
249.11298	3.0
259.13220	1.1
259.17014	1.3
261.11246	3.2
265.14447	48.8
266.14716	4.0
273.11328	1.9
275.12775	1.0
276.13620	1.8
277.14468	9.0
287.12836	3.4
287.16431	2.0
289.14426	2.8
290.14951	1.3
291.15845	2.8
301.11423	1.1
301.14478	6.5
302.15234	9.0
303.12619	1.0
303.15961	27.8
304.16312	3.8
305.13910	6.8
306.14246	1.1
313.21713	1.1
314.15198	1.2
315.15964	15.7
316.13135	0.9
316.16431	2.3
317.13776	1.1
327.16006	1.2
333.17087	1.7
345.20795	11.6
347.19067	1.0
357.20630	3.1
371.17737	1.3
371.22296	27.5
372.23047	7.9
373.20209	91.5
374.20682	18.0
375.21603	3.9
385.20773	1.4
385.24164	9.4
389.19696	4.5
395.26215	1.0
427.24814	1.2
431.83176	0.9
439.24490	1.6
441.26419	8.8
442.27209	14.8
443.27725	3.2
455.24066	6.4
497.32596	3.0
524.31287	1.4
555.36945	12.3
556.37250	2.0
593.38855	1.1
661.45062	10.5
662.44940	4.3
679.46002	100.0
680.46436	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	679.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.2
57.03461	1.3
67.02904	0.6
68.99837	1.4
69.60880	5.0
71.05065	0.8
73.95776	0.5
79.01896	0.6
79.42059	0.7
95.05092	0.6
97.02988	0.6
97.06627	0.7
99.08179	0.7
101.06097	6.3
105.50692	0.5
106.42869	0.5
107.05075	1.3
109.03067	0.6
111.04636	0.5
121.06608	0.7
122.03804	0.8
123.04565	1.4
125.02487	1.1
125.06106	27.2
126.06451	1.4
135.08153	0.9
137.02466	3.8
137.09772	2.6
138.03232	0.7
139.04025	13.9
141.09247	0.8
149.02515	1.1
150.03239	1.6
150.38251	0.5
151.04051	5.6
151.33965	0.6
152.04817	0.6
153.05579	3.0
163.04118	0.7
163.11459	0.6
164.04805	0.9
165.09262	0.6
166.02800	1.2
166.12022	0.6
167.14424	0.7
177.01952	5.8
177.05589	1.4
177.09346	0.6
178.02692	1.9
179.03531	2.0
179.10825	1.3
180.04337	2.3
187.07669	1.6
189.05602	0.6
189.09348	0.7
191.03520	1.0
191.10722	1.3
196.07428	5.3
200.06923	3.3
205.05157	2.1
205.08694	0.7
206.09470	1.6
207.10257	1.2
217.08725	1.3
217.12383	1.2
219.06659	17.5
219.10155	1.2
220.07095	0.7
220.10846	0.8
221.08221	6.0
222.08919	1.9
223.09787	6.5
231.06580	0.8
231.10243	0.9
233.08202	7.8
234.08936	6.2
235.09761	30.9
236.10297	4.1
238.67908	0.5
245.08080	0.6
247.09729	10.5
248.10411	2.0
249.11356	1.7
251.53699	0.6
259.17065	1.5
261.11179	2.7
261.15076	0.8
265.14444	39.6
266.07895	1.0
266.14832	2.9
273.11255	1.0
273.18771	0.7
275.12854	0.7
275.16638	1.6
277.14481	4.2
289.14346	2.7
291.15942	1.1
300.13516	0.6
301.14374	1.3
302.15311	2.1
303.16010	32.0
304.16434	3.0
305.13919	1.6
315.16086	4.7
316.13068	1.5
316.16583	1.1
317.13892	1.0
317.17557	1.2
327.16043	0.9
329.17627	0.7
329.21048	1.3
333.17184	0.7
334.17706	1.3
336.15994	2.3
341.17664	1.2
345.20734	6.0
355.19016	3.9
357.20731	2.9
359.18317	0.8
369.20801	2.7
371.22284	6.5
372.23013	2.9
373.20224	100.0
374.20700	18.6
375.21432	1.2
385.20132	1.8
385.23984	2.6
386.20529	0.8
389.19711	2.5
390.20428	0.9
391.21112	0.6
399.25241	0.8
413.23312	0.6
413.30582	1.9
425.27112	1.2
427.24823	3.5
439.24896	3.9
441.26709	3.3
442.27274	21.5
443.27563	4.1
458.26703	0.9
459.27353	0.9
474.26178	0.9
492.40616	0.6
495.30927	0.7
497.32755	1.1
555.36920	6.7
556.37634	1.2
661.44879	7.4
662.45276	2.1
679.46051	78.3
680.46405	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03456	3.3
61.98804	1.2
66.58520	0.6
71.05022	1.3
79.01897	0.9
79.78382	0.6
96.67710	0.8
98.19805	1.3
99.08176	2.0
101.06120	3.1
101.06654	0.6
111.04528	1.0
123.04498	1.4
125.02481	0.8
125.06112	26.7
126.06378	1.4
129.00249	0.7
137.02423	1.0
137.09749	3.3
139.04057	4.3
139.11273	0.7
141.09209	3.0
148.12590	0.7
150.03201	1.1
151.04018	5.8
151.11349	0.8
153.05574	1.0
161.09779	0.7
163.11337	0.6
166.02744	0.9
177.01945	3.7
178.02708	1.7
179.03474	1.3
180.04288	1.7
195.06764	0.7
196.07407	1.3
200.06944	0.9
205.08662	0.9
206.09422	1.2
207.06633	1.0
207.10184	1.1
217.08733	0.7
219.06616	10.7
219.10114	1.2
220.07045	0.9
221.08221	9.0
222.08829	2.6
223.09735	4.5
231.06558	1.1
233.08211	7.2
234.08905	3.9
235.09756	32.5
236.10429	4.4
247.09737	10.9
248.10213	1.8
249.11143	2.1
259.17017	1.5
261.11343	1.7
261.15036	0.8
265.14478	8.9
273.11295	0.6
275.12799	1.1
275.16464	0.8
276.13705	0.7
287.12909	1.3
288.13287	0.9
289.14322	2.2
289.22052	0.6
297.25793	0.8
300.13577	0.8
301.14462	1.8
302.15073	2.7
303.16000	26.0
304.16342	2.9
305.13828	1.3
306.14545	0.7
315.12830	0.8
315.15955	4.8
316.16324	1.3
317.13721	1.3
317.17151	1.0
333.16986	1.5
336.15628	2.4
345.20691	2.2
355.18970	2.0
357.20581	2.4
367.96289	0.7
369.20660	1.8
371.22369	9.0
372.22977	3.9
373.20203	79.3
374.20700	15.9
375.21283	3.2
385.20004	2.3
385.24457	3.0
387.21423	0.9
413.23505	0.9
425.26669	1.3
427.24820	1.8
429.99759	0.8
439.24857	2.3
441.26358	2.3
442.27237	17.6
443.24075	2.5
443.28073	2.5
444.24799	0.9
555.36646	1.6
577.36731	0.9
661.45264	3.3
662.45001	1.1
678.48059	2.0
679.46173	100.0
680.46332	26.7
690.94775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03451	1.9
61.98829	2.8
71.05013	2.6
88.45767	0.8
97.67258	0.8
98.20017	3.7
99.08140	1.5
101.06083	2.2
107.05019	1.4
109.36164	0.8
125.06108	17.8
126.06431	1.3
127.56210	0.8
137.09735	2.2
139.11311	2.2
145.44604	1.0
149.06387	0.8
150.03232	1.8
151.04015	7.0
163.03964	1.4
166.02740	1.9
177.01990	3.1
177.09169	0.9
178.02631	2.1
179.10732	1.5
180.04300	1.3
185.91887	1.1
191.03471	1.1
193.12413	0.9
205.05110	0.9
205.08630	1.5
206.09450	1.6
207.10283	1.3
217.08725	1.5
219.06660	14.2
219.10268	1.2
220.06995	1.3
221.08130	5.6
222.08826	2.6
223.09792	6.8
233.08209	7.1
234.08928	6.1
235.09752	33.8
236.10278	5.1
247.09790	7.9
248.10397	4.1
249.11159	2.5
259.16745	1.2
261.11340	2.1
262.11124	1.0
266.08102	1.2
270.15961	0.8
275.16534	1.9
289.14377	1.9
289.21808	1.7
290.14917	1.5
300.13565	1.4
301.14313	1.6
302.15121	0.9
303.16046	30.4
304.16437	5.2
315.15933	3.0
316.16559	1.7
317.17252	1.5
332.15826	0.8
333.20642	1.8
336.15814	2.0
345.20740	1.3
355.18967	1.3
357.20630	2.0
361.20389	1.1
369.20618	2.6
371.22516	1.9
372.22604	1.3
373.20203	75.2
374.20596	19.3
375.21072	6.7
385.19528	1.2
385.23984	1.2
399.25629	1.0
425.27292	1.7
427.24835	2.6
429.22397	1.4
441.26373	2.2
442.27231	19.8
443.23267	1.1
443.28278	1.7
577.38989	1.1
661.45496	1.8
678.48029	2.5
679.46570	100.0
680.46423	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.9
61.98825	7.3
63.88124	1.5
67.28535	1.6
69.63251	11.0
69.63680	3.5
71.05006	2.0
83.22186	1.7
87.04536	2.3
91.63370	1.8
98.20548	3.9
101.05523	1.6
101.06084	9.1
111.04559	2.5
116.36868	1.7
123.04549	4.6
125.02478	9.3
125.06094	15.4
137.09671	1.9
148.20319	1.4
150.03224	3.0
151.04033	12.5
165.05653	2.2
177.01958	2.9
179.03479	2.8
179.10892	2.6
180.04272	4.2
207.10233	2.9
217.08635	2.2
219.06619	9.3
219.10277	3.7
221.08286	7.9
223.09731	7.1
233.08200	4.3
234.08986	4.6
235.09756	86.4
236.10403	15.9
247.09811	8.6
249.11401	3.4
253.32782	1.9
289.14508	4.5
290.15286	2.2
291.03329	2.0
296.12479	2.6
303.16019	26.2
304.16571	6.0
315.15942	4.7
317.17517	3.4
329.17609	2.1
333.16995	2.1
333.20651	24.8
334.17569	3.0
334.21170	2.3
336.15784	25.6
337.16287	3.7
345.20764	2.1
355.19116	2.6
357.20697	5.5
359.18604	4.0
371.22299	5.6
373.20193	61.8
374.20773	11.4
375.21451	2.6
391.21268	7.2
427.25082	1.9
441.26553	2.6
442.27194	20.7
443.27698	2.5
459.27469	2.6
535.34784	1.7
577.38971	10.1
595.40253	5.0
596.40826	2.1
661.45215	5.2
679.46051	100.0
680.46704	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	679.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01367	0.9
60.99313	0.2
67.01888	0.3
69.03466	0.2
70.47356	0.3
70.47752	0.4
71.01378	0.8
73.02920	0.2
81.03484	0.3
83.05010	0.2
85.02961	6.0
86.03319	0.2
87.00886	1.5
93.03473	2.8
94.03817	0.2
95.54568	0.2
100.67842	0.2
109.02958	1.0
111.04517	0.9
119.03376	0.2
119.05048	5.4
120.05329	0.2
120.99696	0.2
123.04625	0.2
127.04049	1.8
133.02986	1.1
134.03465	0.2
135.04568	1.8
136.04941	0.3
137.02522	0.3
143.03471	0.2
151.86752	0.2
155.03503	0.4
161.02478	1.9
163.04036	10.7
164.04398	0.5
171.03012	0.5
173.04593	1.5
177.02048	0.2
179.03505	0.8
185.31555	0.2
191.05632	100.0
192.05989	4.0
193.06091	0.2
201.24547	0.2
209.03856	0.2
211.43993	0.2
215.05609	0.4
226.06357	4.6
227.07079	1.9
228.07358	0.2
255.10243	0.5
277.00397	0.1
286.49030	0.2
308.08963	0.2
309.27808	0.2
337.09317	4.3
338.09641	0.3
351.07245	0.5
352.07550	0.3
353.08771	10.9
354.09103	1.0
389.12436	4.3
390.12604	0.7
403.11511	0.2
487.12411	1.0
505.13721	0.4
601.32990	0.2
679.19196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01374	2.0
60.99296	0.2
63.83870	0.2
67.01897	0.7
69.03468	0.2
71.01395	1.3
71.68246	0.3
71.71132	0.4
76.53786	0.2
83.05035	0.3
85.02959	6.6
85.07403	0.2
87.00880	2.2
89.02448	0.7
93.03470	6.4
94.03796	0.3
99.00869	0.3
99.04525	0.3
101.02472	0.5
105.03479	0.8
107.05036	0.4
109.02960	1.7
111.04528	1.7
115.00360	0.3
119.03504	0.4
119.05058	4.3
120.05401	0.3
120.99674	6.1
122.18884	0.2
123.04555	0.3
125.02454	0.4
127.04053	1.3
133.02972	6.5
134.03293	0.4
135.04541	3.5
137.02530	0.3
137.81282	0.2
150.03276	0.3
151.04068	0.3
155.03481	0.5
161.02422	1.6
163.04036	4.6
164.04413	0.3
165.05591	0.6
171.03047	0.4
173.04575	5.4
174.04871	0.4
177.01976	2.0
179.03528	2.8
181.04153	0.3
191.05627	100.0
192.05983	5.9
193.06036	1.1
215.05614	3.0
244.03036	0.3
255.10289	0.8
285.04529	0.5
307.08136	0.5
323.13440	1.4
324.13776	0.6
325.13953	1.1
337.09253	2.7
338.09509	0.4
341.08670	0.7
351.07233	6.1
351.11279	0.5
352.07587	0.5
353.08789	12.3
354.09164	1.9
355.09454	0.4
357.11786	0.3
389.12134	0.3
553.59082	0.3
576.60046	0.3
679.19318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47890	0.4
54.60348	0.4
57.03443	0.6
59.17707	0.4
60.53999	0.4
68.39085	0.4
79.05522	0.7
114.81046	0.4
119.08667	0.6
125.06109	4.5
137.09705	2.1
151.04008	0.9
179.10823	0.4
181.08658	0.5
187.11299	0.7
191.03485	0.6
217.08655	0.5
219.06570	0.5
222.08954	1.3
223.09605	0.9
231.10211	1.8
233.08215	1.1
235.09735	8.7
236.10307	0.8
247.09731	9.2
248.10114	0.8
257.08237	0.4
259.06326	0.4
261.11310	1.2
269.15527	1.0
271.17014	2.2
289.14401	1.1
297.15063	0.8
301.14487	1.2
302.15192	4.0
303.15900	5.8
304.16440	0.8
315.12488	0.4
315.16000	11.1
316.16382	1.1
327.23279	1.0
329.21237	0.6
332.68753	0.4
355.19199	0.6
371.22269	6.2
372.22766	1.9
373.20203	52.3
374.20605	7.3
385.23956	2.1
415.27911	0.4
633.49164	0.9
677.48083	100.0
678.48468	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93896	0.2
57.03439	0.3
61.98814	0.5
70.96032	0.5
70.96403	0.5
78.95892	0.3
79.01926	0.3
79.05531	0.9
80.05927	0.2
87.51454	0.2
99.08238	0.3
101.06065	0.4
119.08655	0.4
122.62117	0.3
125.06108	4.8
137.09723	2.3
138.03250	0.3
140.43787	0.2
142.26950	0.3
151.04021	1.1
152.99580	0.3
163.04047	0.3
166.02736	0.6
179.10808	0.3
181.08650	0.2
187.11301	1.1
189.09297	0.3
191.03589	0.4
203.10704	0.3
205.05067	0.3
207.10339	0.3
211.13359	0.8
217.08784	0.6
219.06674	0.7
222.08966	1.1
223.09647	0.5
231.10272	2.0
233.08144	1.2
235.09756	8.8
236.10205	0.8
245.07788	0.3
247.09753	10.6
248.10129	0.8
255.23286	1.4
257.08163	0.4
261.11395	1.3
269.15482	0.6
271.16983	2.3
287.12967	0.5
287.16461	0.6
288.13516	0.5
289.14450	1.4
297.14984	0.8
299.12854	0.3
301.14432	0.9
302.15298	3.3
303.15985	7.3
304.16391	0.7
313.22028	0.2
314.15152	0.3
315.12335	0.6
315.16016	12.1
316.16388	1.0
327.23126	0.8
329.21127	0.7
355.19165	0.4
357.16684	0.3
371.17728	0.4
371.22284	6.6
372.22797	1.9
373.20203	58.3
374.15823	0.5
374.20535	6.7
385.19913	0.3
385.24033	2.5
427.24692	0.3
633.48804	1.0
677.48108	100.0
678.48431	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55437	0.7
59.01378	3.4
61.98834	3.7
69.46245	8.0
71.01382	1.7
80.05073	3.3
82.03004	3.2
85.02972	1.1
85.11801	0.7
89.02460	0.7
89.79092	0.7
94.02993	40.8
94.06652	3.1
95.03313	1.1
96.04549	1.6
96.96038	2.2
97.02973	1.0
98.20580	1.6
101.02470	1.8
104.05091	1.0
106.06654	2.4
107.03791	5.8
108.04600	1.8
109.02983	1.3
110.06152	1.1
116.92884	1.9
120.04550	1.2
120.08215	28.6
121.05358	1.0
121.08551	1.3
122.06136	38.2
123.06489	1.5
124.07698	2.0
125.02442	1.7
132.04570	3.7
134.06139	7.9
136.04066	1.3
137.02473	1.7
138.05627	16.9
139.02744	0.9
148.04109	1.4
150.05629	2.9
152.07193	88.2
153.07530	3.7
154.51616	0.9
160.04083	1.6
161.02507	0.9
161.04778	1.3
162.05478	1.0
164.07170	2.7
165.02090	1.0
172.07648	1.2
173.04594	0.8
174.05522	1.6
176.03531	1.0
184.88705	0.7
187.08687	1.2
190.05156	4.6
191.05556	1.6
209.08223	0.9
211.12413	1.6
215.11932	2.2
221.10703	1.0
223.08784	6.8
223.12341	1.0
224.09575	2.4
225.10350	3.8
227.11807	0.9
227.42067	0.7
235.12433	2.2
236.09578	1.8
237.10310	11.2
238.11072	4.3
239.11913	7.6
241.09540	0.9
245.13007	4.3
249.06767	2.0
249.10350	2.4
250.07411	1.3
251.08284	3.3
251.11856	6.0
252.12579	1.7
252.84735	0.8
253.13431	1.9
263.08228	4.1
263.11942	1.7
264.09030	8.8
264.12045	1.1
265.09760	8.5
265.12473	1.0
266.10172	1.7
267.11371	2.5
271.10806	2.5
276.09061	1.7
277.09763	3.7
278.10623	3.2
279.11383	28.4
280.11951	5.6
281.12955	2.7
283.10910	1.4
285.12271	1.0
289.07068	1.6
291.11432	7.1
292.12079	4.2
293.12952	1.9
295.10919	3.9
296.11566	1.1
297.12250	2.0
305.09418	1.6
311.13724	1.1
313.12000	2.4
322.09637	1.1
323.10391	8.6
324.11084	4.1
325.11966	3.1
326.12177	1.0
334.15787	1.5
335.10294	1.3
336.11096	1.1
337.11682	0.9
339.09738	1.5
355.13022	3.1
356.13391	0.8
358.15729	0.9
376.16522	2.2
376.20676	1.2
384.17178	1.0
387.15427	0.9
388.16769	2.8
389.17331	1.3
400.16394	1.0
402.18329	7.6
403.18832	1.7
404.19675	1.3
416.19830	2.1
417.20743	1.9
426.18207	1.0
430.17584	1.0
443.18173	1.1
444.19418	9.7
445.19760	2.0
446.17484	1.3
448.18912	5.1
449.19211	1.0
453.17133	1.0
461.19705	4.2
462.20386	4.3
471.17944	3.0
472.18024	1.3
488.18283	10.5
489.19022	15.0
490.19254	1.9
515.28693	1.1
520.20905	19.8
521.21375	4.6
541.24469	8.8
542.24817	1.5
583.25635	9.0
584.25653	1.3
585.23615	23.2
586.23816	4.2
601.26678	5.4
617.16437	1.8
617.26318	33.2
618.26740	7.6
627.24725	23.6
628.25031	4.1
645.25775	100.0
646.26129	20.3
659.27313	14.4
660.27551	4.9
677.28296	35.3
678.28644	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	677.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77328	0.3
57.03439	0.7
58.00595	0.4
59.01382	14.3
60.01698	0.3
67.01892	1.2
69.03430	0.4
71.01387	9.7
72.99307	1.1
73.02959	0.4
81.03500	0.4
83.01398	0.6
83.05028	0.6
85.02963	8.3
87.00881	1.8
89.02456	9.1
93.03469	9.9
94.03834	0.4
95.01405	0.6
96.96030	0.6
98.19833	0.5
99.00884	0.3
99.04528	0.4
101.02454	5.7
101.18121	0.4
105.03471	0.4
107.05021	0.4
109.02959	1.2
111.00905	0.5
111.04552	2.2
113.02458	3.7
114.02809	0.3
115.00435	0.3
119.03532	4.5
119.05013	1.0
120.05337	0.4
120.99686	0.3
123.04556	1.6
124.01693	0.3
125.02473	0.9
127.04037	1.9
129.01956	0.4
133.02977	3.3
134.03732	1.0
135.04544	20.0
136.04863	0.8
137.02483	2.0
143.03539	0.3
152.01244	0.5
155.03549	1.8
161.02457	2.9
163.04068	0.9
167.03522	6.3
171.03026	0.5
173.04570	31.3
174.04904	0.9
177.01953	1.8
179.03516	19.8
180.03876	1.0
191.05627	100.0
192.05995	4.5
215.05629	0.7
229.37144	0.4
283.04581	0.9
293.12347	0.4
323.13477	41.7
324.13794	3.3
351.07214	2.2
351.30765	0.3
352.07321	0.5
353.08792	41.9
354.09125	4.0
677.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
58.00584	0.3
59.01381	13.3
60.99315	0.4
61.98840	0.5
62.01169	0.3
67.01892	0.8
69.03453	0.7
71.01388	9.9
71.71658	0.5
72.99324	0.8
72.99734	0.2
73.02968	0.5
83.01398	0.5
83.05071	0.4
85.02962	7.7
87.00873	2.2
89.02455	8.7
93.02917	0.5
93.03472	5.3
94.03822	0.3
95.01387	0.4
96.96033	0.8
99.04546	0.3
101.02467	5.3
105.03469	0.3
107.05061	0.3
108.02180	0.5
109.02970	1.0
111.00898	0.6
111.03870	0.3
111.04539	1.7
113.02451	2.7
115.00390	0.7
119.03526	3.5
119.05038	3.8
120.05382	1.2
123.04547	2.3
125.02465	0.8
127.04032	1.3
129.01930	0.6
131.03542	0.4
133.02965	3.8
135.03496	0.4
135.04538	6.8
136.04912	0.4
137.02455	0.9
139.04033	0.4
143.03572	0.6
151.04033	0.3
151.07648	0.3
152.01125	0.4
155.03511	0.7
161.02475	2.4
163.04031	3.6
164.04372	1.1
165.04498	0.4
167.03525	9.0
170.95984	0.3
171.03052	0.3
173.04579	8.2
173.06029	0.6
174.04926	0.7
175.49783	0.2
177.01965	1.5
179.03516	5.8
180.03789	0.4
191.05641	100.0
192.05959	4.4
193.06097	0.4
215.05638	1.4
227.18712	0.3
237.09146	0.4
283.04599	1.3
289.07205	0.4
323.13489	34.3
324.13864	2.5
325.14020	0.4
327.08789	0.7
328.09015	0.8
329.09317	0.6
337.09183	0.6
338.09793	0.5
351.07153	3.0
352.07831	0.6
353.08801	20.9
354.09109	2.7
503.14011	0.5
533.99884	0.3
677.20056	2.0
678.21033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99514	0.1
55.01877	2.0
57.03442	1.2
58.00593	2.3
59.01380	48.0
60.01721	0.6
61.39283	0.2
61.98827	0.7
64.67050	0.2
67.01888	0.4
68.99827	0.6
69.03458	2.4
71.01386	43.2
72.01732	0.5
72.99311	3.6
73.02952	6.9
75.00873	1.0
78.95919	0.4
81.03458	2.0
83.01393	4.3
83.05041	0.6
84.02192	0.2
85.02961	8.7
86.00095	0.6
86.03320	0.2
87.00883	10.9
87.04507	0.3
88.01211	0.2
89.02454	36.1
90.02784	0.5
91.04014	0.7
93.03459	0.6
95.01405	3.0
95.05043	0.4
97.02962	8.0
99.00896	2.5
99.04523	0.5
101.02455	34.6
101.74821	0.1
102.02791	0.9
103.00378	0.4
103.04012	0.4
109.02976	0.9
111.00901	0.9
111.04534	1.4
113.02464	15.9
114.02805	0.5
115.04002	0.8
118.05540	0.2
119.03516	11.5
120.03851	0.4
121.02963	0.8
123.00900	0.3
123.04568	0.3
124.01685	0.5
125.02462	15.7
126.02814	0.5
127.04031	0.6
127.07669	0.2
129.01971	0.3
131.03525	2.2
133.05090	1.1
135.04480	0.2
137.02496	0.3
139.04013	1.2
141.01958	0.7
141.05579	0.2
143.03525	6.7
145.05029	0.2
149.04578	1.3
155.03415	0.2
157.05101	0.2
159.03056	0.2
161.04578	7.8
163.04016	0.2
167.03557	1.0
169.05060	0.6
171.02997	0.3
179.05640	7.1
180.05879	0.3
181.05083	0.2
185.04553	0.7
199.06096	0.7
203.05598	0.6
212.13533	0.1
217.07144	1.0
219.05057	0.4
221.04515	0.2
221.06630	2.9
227.12807	0.2
233.22704	0.5
235.08224	15.9
236.08575	0.6
244.73558	0.2
245.06693	1.0
253.09288	4.3
259.08325	0.2
259.20609	0.6
263.07675	1.8
275.20111	0.5
277.09686	1.2
277.21710	100.0
278.22058	10.9
287.07724	4.1
288.08005	0.3
291.23071	0.4
305.08759	4.6
306.09189	0.5
323.09818	2.1
361.11612	0.8
379.12515	1.2
397.13519	95.8
398.13840	8.6
415.14566	39.8
416.14914	3.7
675.35706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34901	0.3
57.03452	2.9
59.01383	1.8
67.01904	0.3
68.95960	0.3
69.03452	0.6
69.89494	0.5
69.89897	2.1
71.01382	2.6
72.99336	0.4
74.08874	0.3
74.99068	0.4
75.00868	1.5
77.44483	0.4
78.63626	0.3
80.02677	0.4
81.03473	2.6
81.81979	0.4
83.01403	3.1
85.02970	3.3
87.00877	1.5
89.02444	0.9
91.05556	0.8
93.03474	4.2
95.01387	1.3
95.05035	3.0
97.02970	6.3
99.00876	0.6
99.04511	0.6
107.05060	0.6
108.02193	0.9
109.02969	26.1
110.03306	1.0
111.04540	0.9
113.02481	3.3
117.01989	0.4
117.03470	0.8
119.05042	3.8
120.04584	0.3
120.99670	1.4
121.02959	3.1
122.03758	0.9
123.04546	15.9
124.01657	1.0
124.04853	0.4
125.02464	15.6
126.02834	0.6
130.79953	0.4
131.05081	0.5
135.04558	1.9
136.04875	0.4
137.02469	9.5
138.03223	0.8
139.04041	3.8
143.05042	1.2
145.02946	1.2
145.06439	0.4
146.03760	1.4
147.04498	0.8
149.02473	4.7
150.03204	0.9
151.00401	0.8
151.04039	8.3
152.04260	0.6
155.03513	0.4
157.06577	0.5
158.03816	0.4
159.04544	2.9
160.05339	1.7
161.02469	1.0
161.06091	4.6
162.03217	1.8
163.04015	3.8
164.01184	3.7
164.04774	1.5
165.01973	3.7
165.09193	1.0
166.02655	0.7
167.03476	2.0
173.04570	2.0
173.06122	1.0
175.04012	2.5
175.07640	2.0
177.05537	0.8
179.03525	6.5
179.07086	0.5
185.06044	1.3
186.06900	0.5
187.04044	4.7
188.04802	3.4
189.05367	0.4
190.02826	0.5
191.05663	5.8
193.01482	0.5
199.07658	0.7
201.05504	1.1
202.06413	2.2
203.03574	0.5
203.07149	13.5
204.07512	1.0
205.05093	7.1
208.03781	1.5
209.08191	1.8
212.04846	0.8
217.08733	0.4
221.08199	3.2
223.06108	5.9
227.07135	2.3
229.05034	0.7
230.05797	1.0
237.09055	0.5
239.10709	0.7
245.08200	17.8
246.08543	1.3
247.06116	1.4
249.06253	0.8
253.07185	1.8
261.04092	1.0
263.05502	2.3
265.08676	0.7
267.07178	8.9
271.06091	1.2
289.07178	100.0
290.07498	7.8
327.08722	6.7
328.09000	0.6
385.06412	0.7
385.11346	9.8
386.11835	1.3
477.09909	0.7
501.13910	2.3
502.13956	0.7
624.00214	0.5
675.19794	3.6
676.20026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	11.7
58.79092	0.5
59.01371	2.0
59.32325	0.5
61.98830	1.9
71.01401	1.2
73.02959	0.8
78.95921	0.7
81.03460	2.6
83.01379	5.3
85.02963	0.7
86.83092	0.5
93.03481	1.9
95.01398	0.7
95.05030	3.0
96.96046	0.8
97.02939	4.0
107.05039	1.3
108.02180	0.6
109.02972	18.9
110.03334	1.2
111.08184	0.9
117.03467	0.7
121.02958	3.0
122.03739	1.5
123.04544	12.7
124.01685	0.9
125.02468	100.0
126.02780	4.4
131.04976	0.7
133.02971	3.6
135.04549	2.5
135.08194	2.6
137.02475	18.3
137.09717	0.7
138.02998	0.7
139.04045	3.0
145.02974	1.2
146.03773	0.8
147.04578	0.8
149.02431	4.8
150.03123	1.2
151.00345	0.9
151.04037	10.4
152.04420	0.8
153.09209	0.7
157.06610	0.6
158.03813	0.6
159.04570	2.1
160.05341	0.6
161.02470	22.3
161.06009	3.8
162.03194	3.1
163.00383	1.7
163.04048	2.8
163.66620	0.6
164.01199	3.9
165.01974	7.8
165.05592	0.6
166.02411	0.5
167.03516	2.1
173.06131	1.3
174.03261	0.7
175.04016	6.5
175.07640	1.6
177.01944	4.4
177.05684	1.1
178.02631	1.0
179.03590	4.4
179.07153	18.5
179.08760	0.9
180.07472	1.0
181.08792	0.7
185.06122	0.9
187.04001	5.6
187.07487	0.6
188.04764	2.2
189.01938	2.1
190.02711	0.7
191.03571	1.1
191.05614	1.0
191.07187	2.8
193.05144	0.7
199.04053	1.9
201.05623	2.0
202.06250	1.0
203.03506	1.8
203.07158	7.9
204.07474	0.9
205.01413	2.7
205.05086	7.3
205.08653	0.8
215.03511	0.9
217.01530	1.1
217.05087	1.9
217.08818	0.7
218.05884	0.9
219.03281	0.8
219.06667	7.8
221.08194	1.7
223.09772	32.2
224.10124	2.3
227.03566	1.4
227.07071	2.1
229.05089	1.8
229.08592	1.3
231.03012	1.5
231.06635	1.7
233.08223	1.2
234.08444	0.8
241.05093	0.7
243.03070	3.2
243.06566	1.3
245.04497	2.8
245.08186	12.3
246.08583	1.4
247.06137	1.6
253.05145	0.8
255.02975	2.0
255.06612	1.0
256.03720	1.7
257.04474	0.9
261.03983	5.3
262.08456	2.4
263.09210	0.8
269.04620	1.8
271.06049	0.7
273.03955	0.8
273.11313	0.6
281.04645	2.3
284.03433	0.7
285.04080	0.9
285.07675	0.8
287.05627	5.2
289.07178	58.4
290.07480	6.4
297.04272	0.7
297.07535	0.9
299.05682	4.4
299.08899	0.9
300.05945	1.2
309.07663	0.7
315.09052	0.7
329.06607	1.0
339.08899	2.3
341.06696	1.3
341.10422	1.0
343.11932	3.3
353.10373	0.7
358.29807	0.6
367.11798	0.8
371.11508	5.1
385.12924	22.1
386.13406	3.5
407.07675	9.9
408.08087	1.6
425.08786	1.7
431.09610	1.2
433.09195	0.7
451.10278	10.5
451.16107	0.9
452.10672	2.1
461.12442	2.0
477.10394	1.9
503.10016	0.8
505.15021	17.3
506.15698	3.0
510.47614	0.7
523.16101	30.3
524.16504	5.9
559.12213	0.7
577.13770	1.9
613.13495	0.9
657.19879	1.2
675.20837	14.4
675.30487	1.2
676.21399	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	675.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65713	0.1
56.80241	0.1
57.03467	0.1
59.01388	0.3
67.01900	0.3
69.91541	1.0
71.01402	0.5
72.17121	0.1
74.09417	0.1
81.03461	0.2
84.94971	0.1
85.02957	5.0
85.87901	0.1
86.03314	0.2
87.00891	1.3
93.03466	2.7
98.19881	0.3
99.04542	0.2
109.02977	0.4
111.04541	0.8
113.02468	0.2
117.03408	0.2
119.05060	0.6
126.03931	0.1
127.04062	1.4
127.39207	0.2
145.02896	0.7
155.03564	0.2
163.04001	1.4
171.03038	0.5
173.04562	1.4
191.05623	100.0
192.05968	4.2
337.09290	27.8
338.09607	2.9
407.27710	0.2
419.88358	0.1
465.04285	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	675.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64331	0.3
53.24543	0.4
54.04084	0.3
59.01366	0.6
60.44726	0.4
71.01401	0.5
71.44465	0.8
71.44797	0.5
76.42171	0.3
83.05032	0.7
85.02957	3.2
87.00898	1.3
93.03472	3.5
99.04532	0.6
111.04543	2.2
118.38829	0.4
119.05045	54.5
120.05364	2.5
126.47319	0.4
127.04004	0.9
145.02991	1.0
155.03529	2.7
163.04037	100.0
164.04404	7.1
173.04581	4.6
191.05647	51.5
192.05995	2.5
224.02931	0.4
225.09705	0.4
259.42068	0.4
337.09305	52.6
338.09561	5.5
407.72775	0.4
441.34097	0.5
455.57245	0.4
468.32272	0.4
469.25644	0.4
577.02368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21223	0.6
55.01891	1.0
57.03443	4.2
59.01378	16.1
59.65161	0.7
63.25721	0.7
69.03472	1.3
69.82845	4.5
71.01385	22.0
72.99310	3.5
73.02943	1.2
74.99101	3.3
75.00879	14.2
81.03492	1.0
83.01394	2.0
85.02957	24.9
87.00882	10.5
89.02450	6.9
91.04039	1.0
91.05565	4.9
93.03471	5.5
95.01402	5.3
95.05052	1.0
96.95981	1.2
97.02997	2.1
99.00893	7.6
101.02458	1.3
103.00408	2.3
108.02162	0.7
109.02964	7.4
113.02466	40.4
114.02856	1.1
115.00407	1.6
117.01971	2.8
117.03465	4.5
119.05031	2.9
121.02981	3.7
123.04531	4.6
124.01685	1.5
125.02459	5.8
129.01952	2.4
129.53885	0.7
131.03534	1.1
135.04555	4.0
135.86708	0.7
136.99158	4.7
137.02461	3.8
139.04036	2.3
143.05080	0.9
149.02448	2.3
150.03279	0.8
151.04015	2.5
161.06123	1.2
163.04054	3.8
164.01204	1.3
165.01956	1.7
173.04581	2.8
175.02470	1.8
175.03951	1.6
179.03487	2.0
187.04041	1.0
188.04779	0.7
191.05632	14.7
192.05997	0.8
203.03444	1.0
203.07115	3.3
205.05107	2.3
205.07213	1.9
207.05165	2.1
223.05966	0.9
239.10832	0.9
245.08177	5.5
248.67505	0.7
249.06136	8.3
259.06174	1.1
263.09268	0.7
265.08728	1.3
267.07196	98.1
268.07574	5.3
283.09769	0.9
287.05487	0.9
289.07196	29.6
290.07413	2.0
327.08881	4.4
384.14334	1.1
385.11392	100.0
386.11737	12.2
387.16241	1.1
409.89874	0.7
501.13898	3.0
552.95801	0.8
675.18860	5.1
676.19464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
58.14399	0.2
59.01383	1.0
60.99302	0.9
67.01896	3.0
69.03458	0.9
70.73692	0.6
71.01386	1.7
72.99335	0.2
73.02944	0.4
81.03453	0.7
83.05049	0.7
85.02957	5.2
85.03444	0.4
87.00883	4.6
93.03465	19.4
94.03805	0.7
96.96022	14.6
99.00869	0.3
99.04545	0.4
101.02415	0.2
109.02970	1.2
111.04529	3.3
111.64740	0.2
112.05019	0.2
113.02436	0.2
117.03471	0.4
119.05043	8.1
120.05363	0.4
123.04520	0.4
125.02472	0.7
127.04040	1.8
129.01994	0.5
131.05022	0.3
133.02966	0.5
134.03770	1.0
137.02473	1.2
143.05026	0.9
145.02957	1.4
149.06012	0.2
155.03575	1.2
161.02426	0.4
163.04021	6.9
164.04393	0.5
171.03067	0.4
173.04572	16.4
174.04871	0.8
178.02798	0.5
179.03438	0.2
191.05623	100.0
192.05965	4.3
193.05052	2.0
211.07610	0.6
237.09241	0.7
243.12424	0.3
244.12820	0.3
265.08624	1.3
289.07220	0.5
309.07553	0.5
319.14087	0.8
320.14368	0.5
321.14526	0.4
327.08740	9.5
328.09097	1.3
337.09293	26.7
338.09662	3.2
353.08691	0.8
355.10571	0.3
361.89777	0.3
407.07706	0.4
425.08664	0.6
501.13806	1.4
659.09772	0.2
675.19476	7.4
676.19727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11509	0.2
56.75306	0.2
57.03440	0.4
59.01387	1.4
60.99301	0.9
67.01895	2.6
69.03454	0.4
69.51150	0.5
69.51561	1.5
71.01382	2.0
73.02969	0.3
78.33017	0.2
81.03481	0.6
83.01399	0.4
83.05031	0.8
85.02964	5.0
85.99594	0.2
87.00884	5.3
89.02470	0.3
93.03468	21.7
94.03808	0.8
95.01456	0.2
96.96028	6.8
96.99332	0.7
99.00909	1.7
99.04515	0.6
99.48589	0.2
109.02983	1.4
109.06631	0.4
111.00928	0.4
111.04531	3.9
113.02471	0.6
115.00392	2.3
117.03451	0.5
119.05048	11.3
120.05415	0.4
121.03014	0.3
123.04609	0.3
125.02460	1.0
125.76682	0.2
127.04044	1.4
127.07674	2.3
129.01956	0.8
130.56354	0.2
131.05070	1.0
133.02986	1.0
135.04538	0.9
137.02441	1.1
139.00381	0.9
143.03488	0.2
143.05061	2.9
145.02950	1.5
149.06133	1.1
153.05554	0.3
155.03479	1.1
157.01440	0.4
159.03082	0.3
159.04541	0.3
161.02461	2.6
161.06050	0.2
163.04031	14.5
164.04346	0.8
165.01884	0.6
167.03539	0.4
171.04573	0.5
171.06645	2.7
173.04568	14.7
174.04942	0.4
175.02486	1.4
175.03952	0.5
175.06239	0.2
177.01935	3.5
179.03542	0.6
189.05608	0.4
191.05626	100.0
192.05974	4.1
203.03374	0.2
206.02216	0.7
209.00844	0.3
211.07712	1.2
219.03072	0.3
233.04538	2.2
235.07610	0.6
237.04144	0.3
237.09219	0.9
265.08679	4.2
266.09125	0.3
277.03558	7.7
278.03976	0.6
289.07208	0.4
309.07727	1.5
319.04572	3.3
320.05124	0.3
327.08743	19.4
328.09064	2.5
333.11874	0.9
337.05804	2.2
337.09293	39.2
338.05847	0.4
338.09653	4.0
425.08862	0.2
501.14023	2.9
653.58997	0.2
675.19427	3.3
676.19818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.1
57.03451	1.8
58.00607	0.3
59.01380	2.2
61.98833	0.6
64.47958	0.1
67.01901	0.1
69.03465	0.2
69.62151	0.2
69.62561	0.5
69.73078	0.1
71.01387	2.2
71.05032	0.2
72.99347	0.1
73.02962	0.5
75.00878	0.1
76.28840	0.1
78.95917	0.1
80.02683	1.0
81.03460	1.4
83.01396	1.0
83.05036	4.4
84.02168	0.8
84.05369	0.2
85.02969	0.5
87.00894	0.4
87.04517	0.1
89.02463	1.5
93.03479	0.6
95.01395	0.3
95.05044	1.0
97.02958	0.8
97.06589	0.1
98.20699	0.2
99.00894	0.1
101.02454	1.9
104.89088	0.1
107.05064	0.2
108.02161	0.1
109.02979	1.7
109.06615	0.4
111.04536	0.2
111.08154	0.2
113.02470	1.0
119.03532	0.2
120.02210	0.1
121.02953	0.7
122.03754	0.4
123.04555	1.5
123.08205	0.1
124.01669	0.2
124.04903	0.1
125.02467	11.9
125.06083	0.5
125.09779	0.2
126.02819	0.4
127.11337	0.1
131.03625	0.1
131.05031	0.1
133.02969	0.5
135.04565	0.3
135.08221	0.6
136.01678	0.1
137.02472	3.5
138.03127	0.1
139.04039	0.4
141.01738	0.1
143.03554	0.1
143.04987	0.2
145.03001	0.2
145.05064	0.2
146.03737	0.1
147.11801	0.2
149.02475	0.9
149.09766	0.1
150.03246	1.3
151.04053	0.8
151.11360	0.2
153.12851	0.1
159.04497	0.5
160.01666	0.1
160.05322	0.1
160.34209	0.1
161.02475	4.3
161.04597	0.8
161.06104	0.5
161.09639	0.1
162.03111	0.3
163.00360	0.4
163.04112	0.5
163.11313	3.3
164.01166	1.6
164.11635	0.2
165.01956	1.7
165.12863	2.5
166.02589	0.2
166.13292	0.1
167.03511	0.2
171.08934	0.2
171.10286	1.6
172.05397	0.1
172.10603	0.1
173.06117	0.2
174.03252	0.2
175.04028	0.6
175.07683	0.2
176.01176	0.2
176.04512	0.1
177.01888	0.5
177.05453	0.1
179.03531	0.7
179.05682	0.3
181.12372	0.7
183.13905	0.1
184.93172	0.1
185.06142	0.1
185.11818	0.2
186.06732	0.1
187.04019	1.2
187.07591	0.1
188.04800	0.4
189.01926	0.3
190.02745	0.1
191.03806	0.2
191.05626	0.7
191.10800	1.0
192.05945	0.1
197.11824	0.2
199.04007	0.1
199.07797	0.1
199.13391	0.9
200.04849	0.1
201.05573	0.2
201.11324	0.1
202.06267	0.2
203.03510	0.2
203.07133	1.0
203.14465	0.1
205.01559	0.5
205.05060	0.7
207.10278	0.3
209.11848	100.0
210.12183	7.6
211.04021	0.2
211.13434	0.1
213.05280	0.1
215.03477	0.3
217.05011	0.2
217.08687	0.2
221.08231	0.2
221.11830	0.2
223.13402	0.1
225.05550	0.2
225.11304	0.4
226.06349	0.1
227.12904	17.8
228.04042	0.1
228.13223	1.4
229.05040	0.9
229.14403	0.3
230.05751	0.1
231.03056	0.1
235.08253	1.7
241.04791	0.1
243.02951	0.3
243.06625	0.2
245.04507	0.5
245.08205	1.3
246.05104	0.1
246.08456	0.1
247.13437	0.7
249.15065	0.1
253.09293	5.7
254.09644	0.3
255.02968	1.4
256.03665	0.4
257.04605	0.2
265.14407	0.3
266.14783	0.1
269.04590	0.3
272.08914	0.2
273.04028	1.1
281.04352	0.1
283.02478	0.1
285.04037	0.4
286.04691	0.3
287.05588	1.2
288.06171	0.3
289.07187	8.8
290.07553	1.0
297.04361	0.1
299.05722	0.4
327.05084	0.1
328.05951	0.3
329.06436	0.1
339.08841	0.1
381.09937	0.1
383.11423	0.5
383.22635	0.1
385.12903	0.5
401.23349	0.3
407.07739	1.1
408.08313	0.2
419.24313	0.3
424.07822	0.2
425.08588	0.7
426.09143	0.1
427.09622	0.1
445.20840	1.0
446.21265	0.2
449.08539	0.2
450.09970	0.5
453.08395	0.1
463.21899	0.7
464.21960	0.1
501.22971	0.1
503.13388	1.0
504.13586	0.1
521.14514	1.9
522.14978	0.3
547.15948	0.4
576.12793	0.1
593.29102	0.1
611.30865	0.2
619.32190	0.1
637.32178	0.8
638.33087	0.2
655.33618	0.7
656.33319	0.1
673.19000	0.5
673.33435	0.6
674.19818	0.2
674.31982	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	673.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11283	0.7
55.01881	1.0
57.03442	1.3
57.42798	0.7
58.00596	2.1
59.01380	12.4
61.00315	0.7
61.98822	1.1
69.03460	1.6
70.73804	1.5
71.01385	59.1
72.01705	1.5
73.02944	5.0
78.95921	0.7
80.02700	1.5
81.03466	2.5
83.01404	1.7
83.05035	6.2
84.02164	0.9
84.92596	0.6
85.02959	3.8
87.00903	3.3
89.02456	5.4
95.01382	1.1
95.05041	1.4
97.02974	4.8
97.06591	1.1
99.00890	2.2
101.02459	10.1
107.05077	0.8
109.06603	12.8
110.06945	0.7
111.00861	1.2
111.08111	0.6
113.02454	4.8
119.03516	2.2
121.79900	0.7
125.02449	1.7
125.06060	0.9
125.09718	2.7
127.11398	0.7
129.02008	0.6
131.39114	0.7
135.08171	2.0
136.05261	0.9
143.03526	1.0
145.05058	1.5
151.11324	1.0
153.12842	1.2
155.10828	1.0
161.04572	3.3
161.09715	1.1
163.11304	10.8
164.11591	0.8
165.09315	0.7
165.12819	4.6
171.10286	16.8
172.10667	0.8
174.28474	0.7
179.05598	1.0
179.10867	0.8
181.12373	5.0
183.10289	1.0
183.13910	9.7
185.11862	3.6
189.09230	1.3
191.10786	1.6
193.12349	1.3
195.78564	0.8
197.11835	1.9
199.09717	1.5
199.13409	20.8
200.13760	0.9
201.11319	9.6
207.10281	37.8
207.21292	0.7
208.10567	2.1
209.11839	100.0
210.12163	7.5
211.13400	87.8
212.13692	5.5
215.12962	1.5
221.11795	1.0
223.13483	2.1
225.11337	24.7
226.11604	1.8
227.12892	61.7
228.13220	3.5
229.14449	2.3
235.08215	7.9
235.13321	1.6
243.12372	1.8
245.13997	0.9
247.13441	1.6
249.14917	1.1
253.09294	17.7
253.14624	0.8
254.09612	1.5
265.14413	1.2
339.23218	1.2
357.24634	1.1
360.87146	0.7
373.23770	2.2
375.25519	1.3
383.22281	2.9
391.24991	2.6
393.26685	0.9
401.23221	8.5
402.23569	1.5
419.24210	5.6
420.24426	0.9
443.19223	1.9
445.20856	1.9
447.22263	2.1
461.20331	7.0
463.21616	6.5
464.22079	0.9
471.22214	0.8
577.60199	0.7
619.31769	1.2
637.32324	9.9
638.32715	2.8
655.33276	13.2
656.34119	4.0
673.34412	9.7
674.34741	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	673.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03447	1.2
58.00594	1.6
59.01380	13.2
59.02543	0.6
61.98833	4.0
69.03465	1.7
71.01389	69.2
71.04996	0.8
72.01733	1.5
72.99310	1.1
73.02952	3.5
80.02666	1.1
81.03461	2.0
83.01398	1.4
83.05038	5.1
84.02168	1.5
85.02958	3.5
87.00890	3.4
89.02463	5.0
95.01385	0.9
95.05044	1.8
97.02981	3.5
97.06641	1.1
99.00883	2.5
101.02454	8.5
102.81298	0.6
109.02937	1.0
109.06613	11.8
110.03751	1.0
111.00862	0.9
111.08183	0.7
113.02463	5.7
119.03496	1.3
121.06579	0.7
123.08192	0.7
125.02462	1.2
125.09737	2.0
127.11296	1.3
131.03490	0.7
133.05112	1.0
135.08211	1.9
142.02682	0.7
145.05081	1.5
147.56523	0.6
149.09814	0.6
153.12894	0.7
155.10838	1.1
161.03410	0.7
161.04530	3.2
161.09741	1.7
163.11305	8.6
165.12901	3.4
167.10840	0.8
169.12346	1.7
171.10295	13.7
171.12544	0.7
171.14018	0.8
172.10629	0.9
177.20604	0.7
179.05568	0.8
179.10808	0.8
181.12376	4.4
183.13930	12.4
184.14195	0.7
185.11841	3.7
191.10829	1.4
193.12379	2.3
197.11855	1.6
199.09747	3.2
199.13419	17.9
200.13840	1.3
201.11330	10.3
207.10286	32.0
208.10628	2.6
209.11850	72.0
210.12160	6.3
211.13416	100.0
212.13728	7.0
215.12959	2.1
221.11674	0.8
225.11342	25.3
226.11621	2.2
227.12912	51.1
228.13263	3.9
229.14337	1.5
235.08241	5.3
235.13348	1.4
237.15038	0.8
243.12465	1.5
245.13924	1.0
247.13400	2.2
251.13071	0.9
253.06613	1.1
253.09283	15.8
253.14442	1.3
265.14529	1.0
277.09433	0.7
295.10406	0.7
299.14856	0.9
339.23117	1.1
357.24490	1.5
373.23785	1.6
375.25531	1.0
383.22211	3.2
391.25018	1.6
392.25339	1.1
401.23328	7.1
402.23715	0.7
419.24500	5.9
420.24777	0.8
443.19211	1.8
445.20840	1.2
447.22266	2.2
461.20248	7.0
462.20767	0.9
463.21777	7.1
464.22284	1.2
593.29498	1.0
611.31195	0.8
637.32507	9.5
638.32935	2.4
655.33673	13.3
656.34290	4.3
673.34735	10.6
674.34955	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	673.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.7
57.03453	1.1
58.00597	1.6
59.01380	9.8
61.98823	4.1
69.03477	1.5
71.01386	52.8
71.05033	0.8
71.75327	0.5
72.01755	0.8
72.99303	1.2
73.02956	3.2
78.95909	2.3
80.02686	1.5
81.03482	1.7
83.01398	1.5
83.05029	4.6
84.02171	0.8
85.02963	3.1
87.00879	2.5
89.02456	5.2
95.01418	0.6
95.05042	1.6
97.02966	3.5
97.06635	1.1
99.00887	3.1
101.02462	7.5
107.05096	0.7
109.06612	8.9
110.06898	0.5
111.00941	0.7
113.02480	4.7
119.03505	0.8
121.06644	0.9
123.08163	0.8
125.02476	1.0
125.06097	0.6
125.09724	3.2
127.11340	0.8
133.05075	0.6
133.52103	0.6
135.08171	2.1
142.02711	0.7
143.03491	0.6
145.05087	1.4
152.99590	0.9
155.10829	2.0
161.04591	2.1
161.09819	0.5
163.11330	9.2
164.11630	0.7
165.12856	1.9
167.10710	0.7
167.14461	1.2
171.10298	8.3
171.13794	0.5
178.99974	0.6
179.05580	1.0
179.10725	0.7
181.12395	3.9
183.13919	9.7
185.11850	2.3
187.09737	0.7
191.10759	0.9
193.12349	1.6
197.11807	1.4
199.09821	0.6
199.13405	17.1
200.13806	1.1
201.11372	5.9
207.08292	1.2
207.10274	29.6
208.10492	3.0
209.11847	50.8
210.12181	4.6
211.13406	100.0
212.13744	6.5
215.12782	0.6
225.11334	19.0
226.11688	1.9
227.12901	41.8
228.13174	3.3
229.14386	0.9
235.08221	4.4
243.12328	2.2
245.13936	0.8
247.13443	1.2
253.09296	12.9
254.09727	1.2
263.16461	0.6
265.14536	1.0
299.15073	0.9
311.22382	1.7
322.38507	0.6
339.23517	1.2
355.22946	1.0
357.24463	1.3
373.23856	2.3
383.22202	2.5
391.24872	1.9
401.23346	5.9
402.23795	0.7
419.24356	4.2
443.19034	1.2
445.20844	0.8
447.22318	1.6
461.20334	4.2
462.20618	0.7
463.21857	6.6
464.22510	0.8
637.32202	6.4
638.33038	1.2
655.33514	9.7
656.33820	3.2
673.34442	13.7
674.34796	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
57.03448	0.1
58.00621	0.1
58.58415	0.1
59.01383	1.9
71.01386	1.6
71.05053	0.1
71.68462	0.1
73.02953	0.4
80.02677	1.0
81.03470	0.9
83.01407	0.3
83.05040	4.3
84.02174	0.9
85.02966	0.4
87.00902	0.4
89.02459	1.0
91.12012	0.1
93.03455	0.2
95.05032	0.6
97.02908	0.1
97.06612	0.2
99.00916	0.2
99.04536	0.1
101.02461	1.6
109.06617	0.3
111.04587	0.1
111.08184	0.1
113.02469	0.8
119.03558	0.3
125.02494	0.1
125.06107	0.4
125.09727	0.3
128.30486	0.1
135.08185	0.5
143.03491	0.1
145.05042	0.2
147.11848	0.2
161.04601	0.5
161.05739	0.1
163.11310	3.7
164.11655	0.3
165.12869	2.1
165.14259	0.1
166.13199	0.1
171.10287	1.6
173.09692	0.1
179.05617	0.2
181.12398	0.6
185.11801	0.2
191.10832	1.0
199.13373	0.4
203.14526	0.1
209.11847	100.0
210.12181	7.2
211.13271	0.1
221.11815	0.3
225.11319	0.2
227.12904	14.1
228.13216	0.9
229.32535	0.1
235.08223	1.7
247.13394	0.9
253.09290	5.6
254.09927	0.2
265.14493	0.2
393.22772	0.1
401.23425	0.2
419.24515	0.3
445.20840	1.0
446.21582	0.2
447.90753	0.1
463.21918	0.2
611.30371	0.1
637.32373	0.6
638.33167	0.1
655.33270	0.3
673.34137	0.2
685.70331	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	673.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
56.00219	0.1
57.03460	0.2
58.00593	0.3
59.01382	2.2
64.21377	0.1
68.36364	0.1
69.85029	1.1
71.01381	1.8
71.05028	0.3
73.02947	0.3
80.02675	1.0
81.03464	1.3
83.01414	0.4
83.05036	4.2
84.02173	1.1
85.02979	0.5
87.00887	0.4
89.02471	1.1
93.03435	0.2
93.21834	0.1
95.05035	0.7
100.25516	0.2
101.02460	1.6
109.06586	0.3
113.02502	0.8
119.03531	0.5
125.06082	0.7
125.09693	0.4
135.08180	0.6
145.05037	0.2
147.66533	0.1
150.21811	0.1
161.04593	0.5
163.11313	3.5
165.12872	1.8
171.10284	1.4
179.05653	0.3
179.73573	0.2
181.12309	0.4
185.11862	0.2
191.10854	1.1
199.13376	0.2
209.11847	100.0
210.12173	6.9
221.11775	0.3
227.12895	13.2
228.13197	0.6
235.08282	1.5
247.13350	0.9
253.09286	5.6
254.09566	0.3
265.14441	0.4
332.95258	0.2
419.24469	0.2
445.20764	0.8
637.32379	0.6
646.30511	0.2
655.33734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45441	0.3
55.01862	0.5
57.03439	1.0
58.00595	0.9
59.01379	6.1
61.98831	1.8
64.01473	0.3
69.03457	0.8
71.01385	13.1
72.99332	0.3
73.02944	1.9
77.50973	0.3
80.02682	1.5
81.03463	1.8
83.01407	1.3
83.05030	5.9
84.02196	0.9
85.02966	1.8
87.00898	1.3
89.02458	3.6
93.03480	0.9
95.01401	0.7
95.05042	1.7
97.02959	1.7
97.06595	0.7
99.00890	0.9
99.04508	0.4
101.02454	5.2
109.02965	0.7
109.06626	4.5
110.06913	0.8
111.04507	0.5
111.08161	0.5
113.02475	3.2
119.03507	1.2
123.04526	0.6
123.08134	0.4
125.02489	2.4
125.06071	0.7
125.09731	1.5
125.99323	0.3
127.11287	0.5
135.08206	1.7
137.02448	0.5
137.09717	0.4
142.02768	0.6
145.05106	0.7
149.09697	0.3
153.12759	0.4
155.14494	0.3
161.04561	1.9
161.09665	0.4
163.11301	8.0
164.11639	1.2
165.01962	0.5
165.12883	3.1
166.13165	0.4
167.10789	0.5
169.12337	0.9
171.10294	10.6
171.13861	0.4
172.10681	0.7
179.05608	0.9
179.10793	0.4
181.12381	2.2
182.12566	0.4
183.13921	2.7
184.14282	0.3
185.11836	2.8
189.09282	0.5
191.05594	0.5
191.10794	1.0
193.12297	0.4
197.11874	1.4
199.09753	0.5
199.13400	13.0
200.13783	0.8
201.11331	2.3
207.10278	11.6
208.10588	3.1
209.11845	100.0
210.12184	11.4
211.13445	25.1
212.13712	1.9
215.12929	0.7
221.11684	0.4
225.11334	12.7
226.11688	2.8
227.12903	43.9
228.13231	3.4
229.14452	1.5
235.08217	3.5
235.13474	0.5
242.02209	0.6
243.12300	0.8
244.12444	0.4
245.13849	0.6
247.13377	2.2
251.12808	0.4
253.09290	10.1
253.14551	0.3
254.09680	1.0
258.01682	1.0
265.14404	1.2
268.43231	0.3
289.07272	0.7
299.15167	0.3
343.08109	3.3
344.08508	0.4
373.23959	0.6
375.25409	0.7
383.22391	0.8
391.24902	0.6
401.23193	4.1
402.23785	0.4
407.19266	0.5
409.25467	0.3
419.24335	2.6
437.25412	0.6
443.18948	0.5
445.20737	2.4
447.22318	0.9
461.20551	2.6
462.20724	1.2
463.21695	4.7
464.22333	0.8
501.23560	0.5
611.30457	0.4
637.32349	6.3
638.32648	1.3
655.33276	7.7
656.33459	1.7
673.34143	7.8
674.34357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.6
59.56382	0.5
61.98832	0.8
65.03981	0.6
69.03456	1.2
69.65282	2.3
69.65703	1.8
75.00877	0.9
81.03483	1.8
83.01400	4.3
91.23222	0.5
93.03482	2.5
95.01386	1.1
95.05016	2.1
96.96026	0.6
97.02975	3.5
98.20637	0.6
105.13365	0.5
107.05042	1.3
108.02168	0.8
109.02971	14.0
110.03278	0.5
115.58814	0.5
117.03445	0.7
121.02998	3.9
122.03745	2.0
123.03710	1.0
123.04536	9.6
124.01691	1.4
125.02462	100.0
126.02798	3.3
131.05061	0.8
132.02202	0.6
133.02965	2.4
135.04567	2.3
137.02463	29.0
138.02837	0.9
139.04085	2.6
143.04881	0.8
145.03012	1.3
146.03738	1.8
147.04543	1.3
148.01656	0.6
149.02457	5.4
149.06104	0.8
150.03217	2.3
151.00401	0.9
151.04025	10.0
158.03802	0.7
159.04535	3.7
160.01743	1.6
160.05252	0.8
161.02472	9.9
161.06104	3.0
162.03201	1.6
163.00403	3.3
163.04033	2.9
164.01166	9.1
165.01938	14.5
165.03242	1.1
165.05574	0.7
166.02628	1.0
167.03589	3.1
167.04832	0.7
173.06073	3.1
174.03262	1.9
174.06856	0.7
175.04012	7.9
175.07654	4.5
176.01128	1.3
176.04666	0.7
177.01939	9.0
177.05569	0.6
178.02524	1.1
179.03534	4.5
181.05070	1.3
185.06157	1.0
187.04031	6.1
187.07607	1.4
188.04744	2.6
189.01886	0.7
189.05527	1.2
189.09212	0.7
190.02737	1.3
191.03491	1.1
191.05634	1.5
193.05060	0.6
195.06592	0.9
197.06145	0.7
199.03995	3.1
199.07559	1.1
200.04782	2.1
201.05583	2.2
201.09279	1.4
202.06364	2.1
203.03539	0.9
203.07146	7.9
204.04283	1.0
205.01456	4.8
205.05075	5.6
211.04015	2.0
211.07663	0.7
212.04793	1.3
213.05615	2.2
214.02753	0.7
214.06241	0.8
215.03516	2.5
215.07114	1.8
217.05164	1.0
217.08670	3.7
221.08231	1.5
225.05481	0.9
227.03604	2.7
227.07091	2.1
228.04288	3.4
228.07614	0.7
229.05110	3.3
229.08698	3.5
230.05650	1.0
231.02980	1.1
231.06616	0.8
239.07153	1.0
240.07936	0.7
241.05029	1.4
243.02983	2.9
243.06644	1.0
245.04536	1.4
245.08185	7.1
246.08652	0.7
247.06183	2.0
253.04941	1.2
255.02979	9.9
255.10190	0.8
256.03680	5.4
257.04507	2.4
257.08160	6.7
258.08655	1.0
259.06003	0.7
269.04550	1.6
271.06143	1.4
273.04074	6.2
281.04532	2.3
281.07996	1.0
282.01801	1.0
283.02496	2.5
285.04068	2.8
286.04788	2.1
287.05585	2.8
288.02762	0.8
289.07175	34.2
290.07562	3.0
297.03986	1.5
297.07797	0.7
297.11362	0.8
298.04895	1.3
299.05612	1.9
301.02917	0.6
301.11066	0.6
323.12863	0.7
329.06696	3.9
330.07050	0.7
339.08746	2.5
341.06677	0.9
341.10461	1.7
365.10083	0.9
367.11877	6.1
381.09845	2.4
383.11362	15.1
384.11777	1.5
385.12991	8.3
386.13208	1.3
395.11414	4.7
396.11740	1.0
405.10272	0.6
407.07693	37.1
408.08121	5.4
425.08743	18.6
425.14420	1.1
426.09250	2.7
450.10001	0.9
467.09909	0.7
472.72925	0.6
485.11877	4.9
486.12674	1.2
503.13382	9.9
504.13873	1.6
521.14539	5.9
522.14764	0.9
529.15063	2.4
547.15936	11.3
548.16064	3.0
655.18573	1.3
673.19580	7.6
673.30725	1.6
674.20300	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	672.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80653	0.5
61.98840	1.3
63.02406	0.7
65.85344	0.5
69.64862	4.4
73.39839	0.5
83.01406	0.9
107.01404	2.5
108.02219	1.0
109.02940	0.7
121.02975	1.7
123.40807	0.6
125.02460	1.9
135.00952	0.6
148.01732	0.9
151.00397	8.5
163.00392	1.9
178.99892	5.4
203.55647	0.5
226.02708	1.0
227.03474	2.0
243.02988	7.1
244.03575	0.9
245.04524	0.9
252.58073	0.5
254.02150	1.6
255.00836	0.4
255.02972	19.2
256.03314	2.0
271.02472	38.1
272.02982	5.1
273.03998	0.7
283.02408	1.2
289.53641	0.6
299.02042	1.4
300.02765	82.5
301.03448	34.1
302.03992	3.2
343.04642	0.7
369.73993	0.6
532.88916	0.6
609.14758	100.0
610.15100	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	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03441	0.8
58.00584	0.4
59.01381	9.8
61.98827	0.3
65.03953	0.2
69.03448	0.7
70.74045	1.0
71.01385	6.5
73.02946	1.0
75.73705	0.2
78.43413	0.2
80.02696	1.8
80.80054	0.2
81.03470	3.4
83.01391	1.4
83.05031	7.4
84.02181	1.2
85.02954	1.7
87.00884	1.5
89.02454	3.7
93.03460	1.3
95.01414	0.7
95.05019	1.4
97.02959	5.1
97.06587	0.9
99.00898	1.3
101.02460	4.9
106.04251	0.4
107.05038	0.6
109.02978	0.4
109.06606	20.0
110.03750	1.2
110.06937	1.0
111.04565	0.5
111.08170	0.4
113.02472	2.4
119.03499	0.8
121.02958	0.3
121.06626	1.3
123.04548	0.5
125.02465	0.6
125.06137	0.8
125.09760	2.2
127.11295	0.3
129.01904	0.3
131.03575	0.3
133.05103	0.4
135.08163	3.3
136.05330	1.1
142.02740	1.0
145.05092	0.8
145.10225	0.4
147.11707	0.4
159.29488	0.3
161.04570	1.7
161.09773	1.8
162.09886	0.3
163.11310	15.7
164.11623	0.9
165.09221	0.4
165.12849	2.3
171.10268	3.0
177.12791	0.3
179.05681	0.6
179.10793	0.8
181.12378	3.8
185.11906	2.7
187.09775	0.7
189.09210	1.6
191.05638	0.3
191.10774	1.6
197.11864	0.4
199.13344	0.4
201.11313	0.4
205.08856	0.3
205.12474	0.4
207.10287	59.2
208.10608	4.4
209.11847	100.0
210.12178	6.9
211.13396	0.4
217.12396	0.8
219.13841	0.3
221.11789	0.8
223.09868	0.5
223.13383	0.9
225.11334	27.4
226.11635	1.7
227.12901	13.9
228.13210	1.0
231.10223	1.3
235.08238	2.9
235.13470	0.5
243.12404	0.6
245.11865	0.4
247.13341	0.9
249.11398	1.3
253.09282	10.4
254.09613	0.4
263.12817	0.8
265.14523	1.3
281.13925	0.4
299.14957	1.3
315.39563	0.3
355.22794	0.9
373.23917	1.1
381.20728	0.7
389.23395	0.4
399.21750	5.3
400.21945	0.8
405.17618	0.6
407.24539	0.3
417.22894	5.1
418.22977	0.8
435.23666	0.7
443.19238	2.9
444.19565	0.5
445.20667	0.7
461.20285	8.3
462.20471	0.8
473.25510	0.4
485.20029	0.6
491.26379	0.5
509.27524	0.5
523.37561	0.3
609.29236	0.6
610.29883	0.3
625.32819	0.6
627.30426	0.6
635.30902	11.4
636.31213	2.5
653.31860	13.6
654.32336	2.7
671.32886	26.1
672.33209	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	671.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70670	0.2
53.03510	0.3
55.01873	0.4
57.03444	1.0
58.00595	0.3
59.01378	8.2
61.98831	5.0
66.84175	0.3
69.03455	0.7
69.97592	0.3
71.01382	6.2
71.05023	0.6
72.99318	0.4
73.02943	1.5
75.00859	0.4
80.02687	2.0
81.03456	2.9
83.01396	1.2
83.05032	6.7
84.02180	1.1
85.02957	2.3
87.00898	1.7
89.02448	3.1
93.03476	1.2
95.01397	0.9
95.05031	1.7
97.02962	5.9
97.06587	1.0
99.00893	4.2
99.04484	0.3
101.02463	4.4
106.04258	0.5
107.05054	0.4
108.02134	0.5
108.40550	0.3
109.02946	0.4
109.06606	16.4
110.03751	1.5
110.06944	0.4
111.00882	0.4
111.04528	0.9
111.08149	0.4
113.01929	0.3
113.02477	2.8
119.03493	0.7
121.02979	0.5
121.06626	1.0
123.04547	0.7
123.08176	0.6
125.02477	1.5
125.06098	0.7
125.09735	3.4
127.11352	0.3
133.06636	0.4
134.03714	0.3
135.08202	2.8
136.05293	1.3
137.02435	1.0
142.02763	1.6
143.03554	0.6
145.05103	0.7
146.07373	0.3
147.11873	0.3
149.09665	0.4
150.03223	1.1
157.92050	0.3
161.04590	2.2
161.09737	1.3
163.00386	0.9
163.11302	14.5
164.11618	0.8
165.01955	0.6
165.12846	2.2
171.10280	3.5
177.13055	0.5
179.05606	0.7
179.10770	0.5
181.12364	7.3
182.12718	0.5
185.11818	2.1
187.09743	0.7
189.09230	1.3
191.10800	1.4
197.11809	0.8
199.13391	0.9
201.11317	1.7
203.14476	0.4
207.10278	54.8
208.10600	4.0
209.11838	100.0
210.12166	6.5
211.13312	0.5
213.09215	0.4
221.11850	0.9
223.13365	1.0
225.11325	51.4
226.11699	3.2
227.12881	16.6
228.13174	1.4
231.10172	0.8
235.08191	3.4
235.13425	0.5
243.12366	3.5
245.11708	0.6
247.13452	1.1
249.11267	1.2
249.15149	0.5
253.09276	8.0
254.09749	0.4
255.03011	1.2
257.04538	0.4
263.12833	0.7
265.14413	0.7
269.04434	0.4
281.13971	0.5
284.03250	0.6
285.04037	1.8
299.15091	1.4
355.22824	0.7
365.23053	0.3
373.23898	1.4
381.20691	0.4
389.23254	0.5
391.24991	1.0
399.21780	3.8
400.22131	0.6
405.17642	0.5
407.24603	0.6
409.25766	0.4
417.22882	4.8
418.22867	0.7
423.07095	2.4
435.23801	1.4
443.19250	3.3
444.19489	0.4
445.20853	0.9
445.39944	0.4
451.06631	0.5
461.20242	14.3
462.20673	1.8
485.20532	0.5
499.21750	0.4
509.27554	0.5
609.33051	0.9
623.97430	0.3
625.32794	0.4
627.30939	0.6
635.30859	9.4
636.31329	1.5
653.31836	16.1
654.32184	3.6
671.32947	27.9
672.33319	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	669.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67404	5.3
75.90814	0.6
78.95886	1.0
79.01915	0.9
89.23217	0.6
95.01213	0.7
107.56859	0.8
108.85769	0.9
111.04526	6.3
123.04520	1.9
123.08148	2.0
126.06423	0.8
151.04019	10.2
152.99612	1.4
165.05562	0.9
177.01871	1.2
177.09250	1.4
180.04253	0.8
193.08727	1.9
200.89221	0.7
203.07124	3.0
207.06604	4.2
208.07356	2.4
209.08130	2.6
210.21271	0.8
221.08195	82.1
222.08720	9.1
233.08022	0.9
235.09752	7.6
255.23262	0.9
287.20099	1.0
301.14444	1.3
319.15564	10.0
320.15924	1.9
361.20325	4.1
421.54480	0.8
550.92737	0.8
594.12250	0.7
669.47437	100.0
670.47797	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	671.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69240	0.3
57.03445	1.4
59.01369	2.0
59.47482	0.2
59.86690	0.3
60.99309	0.8
61.98821	0.3
63.73074	0.2
67.01895	3.1
69.03448	0.7
71.01373	1.7
71.31894	0.5
71.32208	0.3
73.02950	0.3
81.03465	0.6
83.05022	0.9
85.02953	4.1
87.00887	5.4
89.02454	0.5
91.16629	0.3
93.03468	20.3
94.03806	0.7
95.01427	0.4
95.19868	0.3
99.00906	1.3
99.04507	0.6
99.50655	0.3
101.02403	0.3
109.02979	1.3
109.06609	2.6
111.04529	3.4
113.02459	1.1
115.00385	1.3
119.05033	7.6
119.57344	0.2
123.04528	0.8
125.02458	3.2
127.04044	1.0
127.07668	17.8
128.07993	0.6
129.01956	0.9
133.02988	0.9
135.04514	0.7
137.02502	1.3
139.00391	0.4
143.03537	0.4
145.02951	1.4
147.04486	0.5
149.06088	1.1
151.04042	1.1
151.07690	0.4
155.03510	0.9
156.03926	0.3
161.02435	2.8
163.04025	10.6
163.05391	0.5
164.04367	0.4
165.01939	0.5
171.06650	23.4
172.06984	1.0
173.04573	11.4
174.04890	0.4
175.02499	0.7
175.04045	0.5
177.01968	2.6
179.03540	1.0
189.05565	0.4
191.05626	100.0
192.05971	4.1
193.04971	0.4
197.04521	0.4
199.04044	0.4
205.04988	0.4
220.09805	0.4
233.04561	1.4
237.04097	0.6
243.03217	0.4
245.08325	0.4
269.04810	0.3
277.03564	3.3
287.05701	0.4
289.07251	1.5
293.74985	0.3
319.04523	1.5
333.11935	6.8
334.12134	0.6
337.05890	1.3
337.09286	35.9
338.09677	3.5
347.00659	0.3
502.14978	0.3
644.92255	0.3
672.21191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3864
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03437	1.2
59.01387	2.9
61.98833	3.4
62.33555	0.2
70.28657	1.0
71.01383	2.4
73.02942	0.5
73.32130	0.2
83.01404	0.4
83.05019	0.6
85.02940	1.5
87.00896	0.9
89.02464	1.2
93.03453	0.3
95.04980	0.3
96.96008	0.3
97.02956	0.5
97.47488	0.2
99.00858	0.2
99.04533	1.0
101.02460	1.3
101.06109	0.3
109.02947	0.6
109.06593	0.7
111.00957	0.3
111.04531	0.6
111.08179	0.5
113.02482	0.9
113.06083	0.6
121.02968	0.4
121.06621	0.3
122.03767	0.6
123.04545	0.5
124.01681	0.3
125.02497	0.7
125.09754	0.5
135.08218	0.9
136.05327	0.5
137.02451	2.0
137.06090	0.6
139.04013	0.3
148.05275	0.3
149.06113	6.0
150.06886	45.0
151.07207	2.2
151.11305	0.4
153.09210	0.7
155.10695	0.3
157.08704	1.0
161.04597	0.5
161.09781	0.9
162.06906	0.7
163.07675	9.9
163.11308	0.6
164.08441	6.3
165.01952	3.4
166.02342	0.3
166.18118	0.3
169.12357	0.7
171.10249	0.7
176.08427	1.9
177.09169	1.2
178.09995	3.3
179.03561	0.3
179.10789	14.2
180.11119	0.8
187.03958	0.3
189.09137	0.3
190.77115	0.2
191.05626	0.3
193.08755	0.3
205.05064	0.3
205.08676	0.5
207.10246	1.4
209.11836	2.9
223.09758	1.2
223.13518	0.3
225.11319	2.1
226.11568	0.3
227.12965	0.4
235.09923	0.4
243.03029	0.3
253.09142	0.5
255.03076	0.3
259.02527	0.8
263.20117	0.6
279.23260	0.5
281.21176	0.8
282.07175	0.3
283.02554	0.5
283.19290	0.5
288.06357	0.6
325.23880	1.2
327.21768	5.4
328.22250	0.4
341.06769	0.8
428.29459	1.2
443.31607	0.9
444.32208	0.6
446.30420	8.8
447.31006	1.3
460.31985	1.5
461.32684	10.8
462.33124	1.8
471.31293	0.3
488.31436	2.3
489.32172	2.1
490.32196	0.5
492.31339	0.4
506.32480	3.3
507.33228	28.2
508.33496	5.1
549.33746	0.4
611.12256	0.5
625.29480	0.5
633.29272	0.4
651.29736	1.3
669.38855	100.0
670.39252	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	669.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.2
53.98846	0.2
55.01896	0.5
55.55101	0.2
57.03449	1.0
58.00605	0.3
59.01379	6.6
61.98841	0.7
69.03455	2.2
71.01383	4.5
71.01745	0.3
71.05029	1.1
71.70576	0.4
72.99342	0.4
73.02948	1.0
79.48001	0.1
80.02689	1.1
81.03468	1.3
83.01409	0.7
83.05033	5.4
84.02164	1.0
84.05386	0.2
85.02949	1.1
85.06607	0.5
86.00069	0.2
87.00903	1.1
89.02449	2.7
93.03489	0.6
93.07061	0.2
95.01413	0.3
95.05025	1.0
97.02954	0.3
97.06628	0.4
99.00900	0.3
101.02458	4.4
101.03084	0.3
109.06643	0.8
109.07286	0.2
111.08181	0.3
113.02455	2.1
115.44695	0.2
119.03560	0.6
123.08192	0.3
125.06119	0.5
125.09779	0.8
129.59973	0.2
133.05093	0.2
135.08191	0.7
135.67297	0.2
141.09236	0.3
142.57573	0.2
143.03542	0.4
143.05110	0.2
145.05101	0.7
147.11852	0.2
149.09747	0.6
153.09297	0.2
161.04579	1.9
161.13388	0.4
162.06900	1.1
163.11314	3.8
164.11644	0.3
165.12877	2.3
167.10806	3.5
171.10306	1.9
177.09224	0.5
177.12897	0.6
179.05652	0.7
179.10834	0.9
179.14430	3.6
180.14676	0.2
181.12367	0.7
185.06055	0.2
187.11267	0.4
191.10797	0.8
195.13924	10.6
196.14311	0.5
197.11963	0.2
199.13411	0.2
205.12354	10.1
206.12666	0.7
207.10350	0.3
209.11844	96.7
210.12183	7.1
223.13400	100.0
224.13750	7.6
225.11310	0.4
227.12900	16.1
228.13197	1.1
235.08224	4.2
236.08516	0.3
241.14563	0.2
242.02177	0.2
243.02988	0.7
253.09288	10.8
254.09636	0.6
261.14944	1.9
271.02448	1.0
272.03116	0.6
273.03970	0.4
283.02563	0.8
325.07269	0.2
327.08603	0.3
341.06750	1.4
342.07095	0.3
343.07983	0.3
397.23941	0.4
397.46402	0.2
415.24759	0.6
433.26120	0.4
441.21384	0.9
442.21497	0.3
445.20758	1.3
446.20410	0.2
459.22363	11.3
460.22696	1.6
491.28693	0.4
519.55951	0.2
633.33008	1.0
634.32745	0.3
651.33868	1.4
652.33643	0.3
669.15973	1.2
669.39227	2.0
670.16412	0.3
670.38635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44738	0.2
51.91023	0.3
59.01381	2.9
61.98831	1.9
71.01389	1.6
71.05608	0.9
83.01379	0.4
85.02947	0.3
85.52210	0.2
88.98820	0.4
89.02436	1.4
95.01423	1.1
101.02472	1.3
101.72206	0.3
108.02185	7.7
110.00115	0.9
111.00942	0.4
113.02470	0.8
119.03544	0.8
123.00911	6.9
123.03616	0.4
123.03848	0.3
123.04538	14.1
124.01676	79.1
125.01971	2.5
135.04549	0.3
136.01675	2.2
137.02458	2.0
137.70840	0.3
138.03242	1.2
139.04028	71.4
140.04376	2.6
149.02490	1.6
150.06802	0.6
151.00414	0.7
151.04051	0.6
152.01186	6.0
157.66365	0.3
161.06100	0.8
162.06898	0.3
163.04037	1.7
163.07672	0.8
164.01244	0.3
165.01921	0.6
177.05563	0.5
178.06342	1.5
179.07150	16.8
180.07494	1.0
189.05574	2.4
190.06342	0.8
191.03529	0.3
191.07149	4.5
192.07924	13.3
193.08464	0.9
205.04977	0.5
205.08696	1.6
206.05856	14.5
207.06635	48.0
207.10214	16.2
208.07010	3.1
208.10619	0.9
209.11830	0.6
221.08211	8.2
222.08720	0.9
223.09897	0.4
225.11369	0.5
251.09346	0.3
301.10590	0.4
327.12338	1.3
329.10324	6.4
330.11072	19.3
331.11511	1.7
345.13437	61.4
346.13776	6.3
369.11694	0.5
492.16388	2.3
493.16458	0.4
507.18683	100.0
508.18994	15.5
508.25208	0.2
642.95331	0.3
651.29852	0.3
654.21600	0.6
661.02863	0.4
669.23413	11.8
670.23547	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	669.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86537	0.2
59.01386	1.0
69.03449	0.3
70.19415	0.5
70.19805	0.5
71.01399	1.2
73.02939	0.6
74.91507	0.2
76.30650	0.2
81.03453	0.2
83.01365	0.3
85.02957	6.1
87.00877	1.1
93.03470	3.0
95.01409	0.4
99.00901	0.3
100.53904	0.2
101.02454	0.5
107.05070	0.2
108.02188	25.5
109.03000	8.9
110.03263	0.4
111.04533	0.6
113.02446	0.4
119.05036	1.2
121.02943	0.5
123.00947	0.6
123.04611	0.4
125.02455	0.6
127.04044	1.3
133.02945	1.2
134.03738	0.2
135.04549	1.9
151.04050	0.6
152.01175	24.5
153.01970	9.1
154.02258	0.4
161.02428	1.8
163.04021	2.9
164.88789	0.2
165.01953	0.6
167.03523	0.5
169.01427	1.0
171.03038	0.3
173.04576	1.3
179.03563	1.2
191.05626	100.0
192.05977	4.6
233.58165	0.2
248.12927	0.2
252.29102	0.2
315.07211	44.7
315.86520	0.2
316.07513	3.4
337.09265	1.0
351.06949	0.3
353.08795	17.4
354.09174	1.6
369.08563	0.3
431.88385	0.2
438.69269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18386	0.4
57.03431	1.2
61.98818	0.5
69.86496	0.8
69.86909	1.9
71.05032	0.7
78.95910	0.4
79.01890	0.5
82.02505	0.4
87.04519	0.5
89.06624	0.5
95.05018	0.6
101.06072	0.4
107.05042	0.6
109.02953	0.6
111.04559	4.9
111.08154	0.9
117.15704	0.4
121.06599	0.6
121.20039	0.4
123.04539	2.0
123.08166	1.8
125.06090	1.2
137.09727	0.7
139.04013	0.9
151.04041	8.0
163.11320	0.5
165.05592	1.0
165.09277	0.7
166.02750	1.0
177.01923	1.0
177.09225	1.5
179.03429	0.5
179.06995	0.4
179.10780	2.5
180.04340	1.8
181.95589	0.5
191.10796	0.7
193.06903	0.5
193.08725	1.8
203.07121	4.2
205.12337	0.8
207.06680	4.9
208.07408	5.6
209.08194	5.8
219.06622	0.9
221.08203	83.5
222.08777	9.3
223.09764	14.0
224.10164	1.5
233.08144	1.7
235.07410	0.8
235.09770	15.6
236.10347	2.2
249.11319	16.7
250.11635	1.5
261.11288	0.5
261.18637	0.9
275.12778	2.1
276.13345	0.6
277.14136	0.5
287.20242	0.5
289.14453	0.7
301.14621	0.8
303.16064	1.0
317.17578	1.1
319.15530	5.4
320.16351	1.0
347.18616	0.5
359.18634	0.9
360.19080	0.6
361.20142	3.3
363.18164	0.6
364.19006	0.5
374.21033	0.8
385.71362	0.4
415.24744	0.5
423.10934	0.5
443.28064	26.4
444.28442	4.8
598.38910	0.6
649.44049	0.7
667.46185	100.0
668.46741	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	667.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03439	0.5
60.17987	0.2
61.98810	0.3
69.62747	0.2
71.05040	1.7
79.01904	1.6
83.05045	0.4
85.06577	0.2
87.00849	0.2
95.05043	3.4
97.02992	1.3
99.08175	0.7
106.06316	0.3
107.05030	0.6
109.02989	0.4
111.04524	1.5
121.02963	0.8
123.04520	1.2
123.08190	1.1
125.06101	5.0
125.09745	0.4
135.04485	0.3
136.05304	0.5
137.09740	2.2
138.03230	0.3
139.03020	0.5
139.04044	7.7
140.04367	0.3
149.02449	0.3
151.04018	6.9
152.04759	0.5
162.03305	0.5
165.01907	1.9
165.05612	0.4
165.09300	0.3
166.02748	1.3
177.01965	1.5
177.09236	0.7
179.03511	1.6
179.10796	15.4
180.04294	6.6
180.11124	0.8
181.04625	0.6
191.10841	0.7
193.08734	0.5
193.12317	0.5
195.06580	0.3
203.07118	0.7
203.10675	0.3
205.05103	0.4
205.08725	0.9
207.06627	1.1
207.10260	1.4
208.07399	0.6
209.08281	1.4
217.08755	1.9
219.06763	0.6
220.07326	0.6
221.08199	17.0
222.08838	3.7
223.09770	90.5
224.10104	5.9
233.08223	0.8
234.54057	0.3
235.09769	72.5
236.10431	17.4
237.07584	0.4
237.11143	2.2
247.09752	3.2
248.10081	0.4
249.11346	2.9
261.11304	0.6
285.42728	0.2
289.14468	1.1
290.14896	0.9
301.14438	0.4
303.15695	0.4
317.14026	0.3
319.15494	0.8
320.15723	0.3
357.20795	0.3
359.18594	1.6
359.22421	1.0
360.18967	2.1
361.19180	1.4
373.20297	0.6
374.20856	1.2
375.21515	0.4
376.21997	0.3
399.29456	0.6
425.26892	0.3
429.26440	3.8
430.26471	0.6
443.28055	100.0
444.28372	17.0
666.46484	0.8
667.38489	15.0
667.46613	11.2
668.37384	5.1
668.47681	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	667.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
58.00603	0.2
59.01376	1.7
60.99310	1.0
67.01888	2.9
69.03453	0.6
70.02966	0.4
70.72984	0.3
70.73334	0.6
71.01379	1.8
73.02955	0.3
74.02489	3.1
74.46577	0.2
80.46124	0.2
81.03467	0.9
83.05032	0.9
85.02957	4.5
87.00881	4.3
88.98801	0.2
89.02427	0.3
93.03468	18.5
94.03802	0.6
98.02499	1.1
99.00899	0.4
99.04518	0.5
101.02456	0.3
109.02979	0.8
109.06609	0.9
111.04536	3.3
113.02434	0.3
114.59520	0.2
116.03554	2.0
117.03490	0.2
119.05045	19.4
120.05367	0.9
121.02966	0.4
123.04552	1.8
125.02462	0.9
127.04011	1.1
127.06783	0.4
127.07671	5.0
129.01987	0.8
132.04591	1.0
134.03735	0.3
135.04550	1.1
137.02464	0.5
138.15710	0.2
144.04543	0.3
145.02995	1.2
148.50522	0.2
151.04076	0.3
153.05591	0.3
155.03514	1.5
161.02467	0.7
163.04028	33.6
164.04353	1.7
167.03516	5.6
168.03816	0.3
171.06662	5.3
172.06973	0.3
173.04573	12.3
174.04886	0.6
175.06197	1.3
179.03505	0.9
191.05626	100.0
192.05968	4.2
197.04573	1.1
201.06566	0.2
203.57259	0.2
261.08807	4.5
262.09174	0.3
277.03479	0.4
289.07156	0.4
319.04623	0.2
329.08759	0.9
333.11923	1.8
337.09296	47.4
338.09589	4.2
351.07169	0.3
353.08658	0.3
367.10406	0.4
407.07681	0.3
422.19730	0.3
674.74835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33083	0.3
54.28659	0.4
55.29256	0.3
57.03442	0.8
58.06833	0.4
59.01372	1.2
69.29128	0.4
71.01379	1.8
71.70676	0.5
71.71030	0.5
73.02962	0.4
81.03464	0.9
83.05024	0.7
85.02959	1.7
87.00900	0.8
92.81589	0.4
93.03465	4.0
101.02423	0.7
108.01447	0.8
108.02190	15.2
109.03011	0.5
111.04544	2.3
113.02424	0.4
113.06095	1.3
115.00417	0.4
119.05042	45.4
120.05379	1.8
121.02973	2.4
123.04541	7.9
124.04845	0.4
125.02447	0.8
127.04021	0.6
133.03024	1.9
135.04562	3.4
137.02446	0.7
140.93687	0.4
152.01183	15.5
153.01669	0.8
153.05623	2.2
155.03514	2.4
161.02557	0.5
163.04034	100.0
164.04369	5.7
167.03523	45.4
168.03865	2.3
171.03050	0.4
173.04585	4.2
175.06134	1.1
177.01985	0.9
179.03514	2.1
191.05632	24.2
192.05936	1.5
197.04585	9.6
198.04799	0.6
201.88438	0.4
215.05759	0.4
232.18333	0.4
241.65373	0.3
246.23679	0.4
313.05554	1.0
329.08807	9.0
330.09384	0.6
337.09302	30.9
338.09650	2.9
351.07117	1.5
353.08774	4.1
375.07120	1.0
375.79895	0.5
534.86707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01362	2.8
61.98832	57.3
63.02396	2.2
65.00327	4.4
69.63475	1.3
69.63880	3.9
71.01368	1.4
83.01387	2.7
93.03452	1.1
99.60725	0.7
107.01399	7.6
109.02951	0.7
121.02965	7.0
125.02462	1.1
134.41293	0.6
137.02487	0.7
139.04028	0.7
143.54672	0.6
149.02461	1.1
151.00381	27.9
151.03848	0.6
152.00711	1.4
169.01414	1.8
178.99878	12.3
179.01456	0.7
180.00185	1.1
191.05626	1.9
207.02319	0.6
209.11703	0.8
229.05067	1.0
243.03223	0.9
245.04405	0.9
255.03033	0.7
267.54752	0.6
273.04083	1.3
287.01923	1.0
289.07077	1.3
299.02002	1.4
301.03546	100.0
302.03934	9.8
341.06796	1.3
343.08240	2.1
355.10431	0.7
365.19739	1.9
420.84598	0.7
456.32535	0.7
461.22284	0.9
505.13327	2.0
623.27820	1.1
666.30774	0.7
667.19019	5.0
667.29962	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	665.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01912	0.2
57.03460	0.4
67.09444	0.3
71.17386	0.8
73.69782	0.3
74.33755	0.3
77.59854	0.3
97.06601	0.4
107.05058	0.7
123.04521	1.5
124.21004	0.3
125.06093	4.8
125.09717	0.3
137.02478	0.3
137.09767	1.4
151.04037	8.0
152.04559	0.6
154.21786	0.3
154.74268	0.3
161.00957	0.3
165.05646	0.6
166.02739	0.9
177.01944	1.1
179.03458	1.1
179.10741	0.8
180.04286	2.4
191.10802	0.7
196.83717	0.3
205.12294	0.5
207.06731	0.4
207.10277	2.0
209.08069	0.4
217.08685	2.9
217.12093	0.3
219.06618	0.3
221.08195	5.8
222.08939	2.7
223.09749	3.2
224.09999	0.4
225.56920	0.3
233.08199	0.4
234.08752	0.3
235.09763	71.6
236.10300	9.3
247.09740	0.9
249.11288	7.2
249.18474	0.6
250.11745	0.6
259.74893	0.3
275.12820	0.6
277.14471	0.4
289.14377	0.5
301.21704	1.5
315.16040	0.5
333.17117	5.2
334.17612	1.1
357.20755	0.4
359.18570	0.5
375.21793	5.6
376.22156	0.8
493.04642	0.4
595.39880	0.4
596.41510	0.4
621.48193	0.5
665.47968	100.0
666.48309	27.5
690.07190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77374	0.3
56.05482	0.3
56.37776	0.2
57.03442	0.7
61.65507	0.3
70.56956	0.9
79.01894	0.8
81.03473	0.3
85.96331	0.2
91.91650	0.3
95.17392	0.3
97.06588	0.3
99.08140	0.5
101.06084	0.4
107.05053	0.8
111.04543	0.6
121.06612	0.4
123.04553	2.0
124.28852	0.3
125.06094	5.0
125.09724	0.4
137.09746	1.7
138.03227	0.4
139.04034	1.3
151.04030	9.4
152.04465	0.5
163.11276	0.5
165.02003	0.4
165.05586	0.8
166.02754	1.3
177.01958	1.5
179.03563	2.0
179.10779	1.2
180.04263	3.5
186.79201	0.3
191.10722	1.6
203.10701	0.3
205.12283	0.8
207.06802	0.4
207.10277	2.1
217.08713	3.5
219.06558	0.4
219.10217	0.3
221.08191	5.7
222.08955	3.9
223.09749	5.6
223.17027	0.4
231.10297	0.4
233.08220	1.1
235.09761	72.3
236.10291	8.4
236.89783	0.4
247.09804	0.8
249.11305	7.5
250.11751	0.8
251.12881	1.3
275.56827	0.3
277.14484	1.0
289.14563	1.4
289.17810	0.3
291.16107	0.7
293.13977	0.7
301.14630	0.4
301.21695	1.7
302.22220	0.3
305.17603	0.4
315.15814	0.7
317.17444	0.4
333.17068	4.6
334.17627	0.8
334.52444	0.3
347.18613	0.3
357.20715	0.8
359.18561	2.0
361.20084	0.4
371.22238	0.5
373.20251	0.5
375.21774	8.7
376.22247	1.5
399.76413	0.3
401.23355	0.3
428.25659	0.7
429.26367	0.5
470.38470	0.3
497.32446	0.5
503.78702	0.3
528.16870	0.3
553.35583	1.2
554.36041	0.4
581.38678	0.9
621.48901	0.4
665.47931	100.0
666.48273	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00034	0.3
57.03463	0.4
57.94685	0.3
79.01878	0.8
91.56879	0.4
95.04995	0.3
97.02919	0.4
98.20712	0.7
107.05042	1.0
111.04547	4.8
123.04540	2.5
125.06160	1.9
135.04514	0.5
137.09763	0.4
149.02478	0.5
151.04013	9.7
152.04634	0.5
153.12811	0.5
165.05603	0.9
165.09196	0.6
175.40916	0.4
177.01945	1.5
177.09328	0.8
178.02647	0.7
179.03537	1.7
179.10698	0.5
180.04309	2.2
191.10831	0.4
193.08705	2.8
195.10257	0.5
203.07152	4.2
205.12318	0.8
207.06703	1.9
207.10342	0.5
208.07349	0.7
209.08247	2.5
217.08664	0.8
219.06631	0.7
221.08200	100.0
222.08881	19.0
223.09726	3.7
233.08246	0.8
235.09763	21.7
236.10263	2.7
244.40828	0.4
247.09746	1.0
247.13425	1.7
249.11325	5.7
250.11797	0.6
254.07924	0.7
261.11389	1.2
262.15863	0.5
269.88153	0.4
275.12952	1.6
277.14459	0.9
289.14526	2.0
290.15182	3.5
291.15631	0.5
291.70120	0.4
293.14011	0.8
294.14456	0.4
301.14410	0.5
303.15924	0.4
305.14014	0.4
317.14209	0.4
317.17587	0.9
319.15500	2.9
320.16238	4.9
322.14224	33.6
323.14545	2.4
331.71497	0.4
333.16962	2.5
334.17581	0.7
357.20694	0.8
359.18585	0.4
371.22296	0.6
375.21750	8.2
376.22073	1.5
377.19736	9.0
378.20334	1.5
387.21756	2.2
429.26520	0.5
431.24417	1.8
445.26013	3.2
446.26437	1.7
447.27618	2.9
448.28366	0.4
478.25555	1.1
607.40601	1.0
621.49731	0.4
665.47961	44.1
666.48297	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	665.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
68.99774	1.4
69.66877	5.9
79.01903	1.4
82.70917	0.9
83.05039	1.4
85.06612	1.5
87.04513	6.6
88.14478	0.9
99.08179	0.9
100.90523	0.9
108.25611	0.7
111.03804	1.6
111.04537	26.4
115.04027	1.0
123.04527	1.3
123.08183	2.1
125.02489	1.2
125.06074	2.6
125.09690	0.9
136.05240	1.1
137.02492	3.5
139.00397	0.9
139.04034	16.1
141.09248	1.0
149.02403	1.0
150.03241	1.2
150.91171	0.9
151.04008	5.9
165.09203	1.8
166.02678	1.5
177.01939	7.5
177.09200	1.2
178.02696	1.7
179.03468	1.5
180.04288	3.0
182.05824	6.9
186.05336	2.8
189.09074	1.1
191.03471	1.6
192.04164	1.0
192.07973	5.2
193.08621	1.0
195.06697	1.3
203.07172	1.9
205.05092	5.7
207.06636	8.0
208.07413	3.0
209.08240	8.6
219.06671	10.3
220.07420	10.2
220.92651	1.0
221.08188	32.9
222.08900	5.9
223.09634	1.4
231.06609	1.7
233.08212	10.8
234.08746	3.3
235.09752	9.5
236.10092	1.4
245.15358	3.1
247.09775	5.3
251.12877	47.4
252.06374	3.3
252.13173	3.8
259.09674	1.5
261.11176	1.3
261.14871	1.8
271.12866	1.1
273.11234	1.5
275.12750	1.9
277.14630	4.4
287.12897	1.9
288.13498	2.9
289.14453	41.7
290.14825	5.8
301.14462	5.0
302.14987	1.2
305.14014	1.8
315.16043	1.1
315.19571	2.0
317.13861	1.6
320.16379	1.3
327.15994	1.4
331.14951	1.1
331.18872	2.2
333.17221	1.2
341.17676	4.9
343.19418	1.4
345.20679	3.5
355.18994	3.3
357.20749	9.8
358.21213	2.7
359.18634	100.0
360.19110	18.5
361.19891	1.7
371.22385	2.3
373.20181	4.0
374.20633	2.7
375.17999	3.7
385.20108	5.8
400.26398	1.0
411.24948	1.5
413.23279	3.9
413.30188	1.4
427.24896	8.4
428.25659	26.8
429.26172	4.7
439.24777	5.2
440.25708	1.2
444.25153	1.5
509.28964	2.4
510.29962	2.1
541.35132	5.6
542.35858	1.3
577.38525	1.1
579.37250	2.3
602.71985	0.9
647.43237	8.7
648.43378	2.3
665.44354	90.7
666.44452	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	665.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25078	2.7
60.69178	3.0
69.44701	32.5
71.05020	11.3
87.04516	21.7
101.06083	4.9
104.74980	3.9
111.04513	18.8
122.03730	3.2
123.04545	3.7
125.02415	3.0
139.04016	5.7
139.11324	4.6
148.37714	3.2
150.03236	6.3
151.04028	14.4
152.04723	4.4
163.04015	7.2
173.06024	3.0
177.01918	3.8
180.04233	3.2
189.05516	10.6
190.06441	3.7
203.07185	5.8
205.05031	5.5
207.06581	5.0
209.08203	3.8
219.06602	7.5
220.07335	5.3
221.08150	28.8
222.08807	6.1
233.08113	3.7
235.09712	10.0
247.09915	3.8
289.14536	15.6
289.21695	6.4
290.15164	3.5
303.15976	8.7
316.69116	3.2
327.15872	6.3
329.17529	8.7
333.20721	7.5
341.17575	7.1
351.19150	3.8
355.19321	3.8
359.18622	44.9
360.19107	7.6
369.20798	4.6
371.18622	9.3
373.19913	4.8
398.20911	10.5
399.21790	23.4
425.23386	10.6
429.26511	9.8
437.26831	3.5
439.24792	14.7
440.25455	5.9
507.31116	10.2
535.30615	9.3
559.37671	14.9
560.38165	5.4
577.39001	25.5
578.38867	3.8
629.41974	4.0
647.43274	100.0
648.43927	23.6
665.44733	31.8
666.45306	10.2
668.40265	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	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15836	0.5
57.03449	100.0
58.00625	0.6
58.02593	0.6
58.03799	1.1
59.01380	15.3
59.06502	0.6
61.98832	2.0
71.01385	9.1
72.99313	1.3
73.02962	0.7
75.15472	0.5
79.93037	0.5
81.03461	3.4
83.01419	1.3
85.02963	1.7
87.00909	0.9
88.83478	0.6
88.98794	0.7
89.02453	15.2
95.01382	0.8
98.19835	1.1
99.04532	11.3
101.02457	41.9
102.02778	1.2
113.02455	4.4
119.03512	8.4
125.02469	2.8
131.03606	0.9
137.02545	0.6
143.03513	2.0
145.01453	0.8
145.02977	1.9
146.04584	0.8
149.04556	0.8
161.04590	2.2
179.05609	8.0
191.05676	1.4
197.11877	1.5
201.11394	1.2
204.69569	0.5
209.11877	1.1
221.09842	0.7
224.04880	0.6
230.12704	0.6
237.09238	1.6
243.03027	1.2
261.03955	1.0
265.04785	0.7
265.06009	0.6
265.08646	4.3
266.08981	0.6
283.09775	1.5
293.08170	6.1
294.08762	1.0
295.09613	0.8
297.11295	0.7
308.10562	1.2
309.11435	0.5
311.09286	5.4
325.10699	4.0
326.11603	6.4
327.12256	1.7
338.11386	0.6
340.13074	1.5
341.13916	14.3
342.14178	1.3
351.12488	0.8
353.10300	14.0
354.10632	1.6
365.13980	1.5
367.11740	2.0
368.12616	14.5
369.13013	1.9
383.15002	30.1
384.15335	4.2
392.15683	0.9
393.13431	12.1
394.13400	1.2
407.14914	1.2
408.15753	14.4
409.16162	1.3
423.18140	39.4
424.18481	4.6
425.15863	0.8
485.18207	12.1
486.18561	2.2
519.11395	1.0
665.24573	46.8
666.24915	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	665.216
Annotation	Lychnose
Peak:m/z	Relative Intensity
57.03452	17.2
58.00585	2.9
59.01380	68.7
64.44592	0.7
69.53756	4.2
69.54188	2.2
71.01386	43.5
72.01739	0.6
72.99303	2.1
73.02956	2.9
75.00875	0.7
81.03468	2.0
82.29160	0.7
83.01379	1.9
85.02950	6.0
87.00880	2.4
89.02456	58.5
90.02783	1.5
95.01394	3.1
97.06609	0.8
99.04531	28.0
101.02458	28.0
113.02465	24.4
114.02831	0.8
119.03521	22.6
123.04514	2.0
125.02464	18.0
131.03543	3.8
141.05629	1.2
143.03531	9.1
149.04596	2.8
161.04578	38.7
162.04880	1.4
179.05627	52.3
180.05977	1.7
191.05617	4.1
192.06020	0.8
203.05602	2.4
221.06697	3.2
233.06648	1.0
240.43092	0.7
263.07718	10.0
279.10889	1.2
288.24802	0.7
295.55801	0.7
323.09836	100.0
324.10199	7.5
341.10684	1.0
390.22437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59233	1.0
57.03470	1.1
71.72595	1.9
78.95930	1.2
101.06085	9.5
109.01228	1.0
125.06082	3.1
150.03249	2.7
151.04001	2.1
152.99596	1.3
163.03995	1.6
197.11864	1.8
219.06676	2.6
223.09709	1.6
234.08788	1.5
235.09798	5.3
236.10214	1.3
255.23401	3.0
289.14490	1.7
303.15985	4.3
315.16229	1.6
342.22003	1.3
343.22733	1.5
357.20337	1.3
370.21539	2.9
371.22272	15.3
372.22772	3.6
373.20218	15.3
374.20645	3.1
439.28473	4.0
455.28107	5.0
456.28555	2.6
481.32806	1.5
509.32712	7.7
510.33252	1.5
517.11127	1.3
561.39673	1.6
579.40497	9.5
594.39459	1.6
663.46478	100.0
664.46729	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
70.47076	1.7
96.25990	0.6
125.06081	4.7
137.09772	1.3
151.04018	1.1
179.10780	0.7
179.18626	0.5
191.03670	0.5
221.08316	0.7
222.09024	1.1
231.10262	1.9
233.08194	0.8
235.09741	7.9
247.09747	9.9
248.10178	1.0
261.11191	0.9
269.15445	0.7
271.17007	1.9
287.12677	0.7
289.14304	0.8
297.15121	0.7
299.02335	0.5
301.14273	1.3
302.15408	3.0
302.18237	0.7
303.15955	6.0
304.16281	0.8
315.16055	9.2
316.16321	1.2
327.23367	1.2
329.21143	0.9
355.19077	0.7
371.22327	7.2
372.22739	1.8
373.20209	54.7
374.20477	8.0
385.23779	2.3
619.47668	1.3
663.46362	100.0
664.46783	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58430	0.6
57.29026	0.7
61.98841	1.3
69.73148	5.3
71.93690	0.7
78.95918	0.7
84.41322	0.7
101.06110	10.0
109.02953	0.8
111.04563	1.4
120.52689	0.7
123.04527	1.0
123.08202	1.3
125.06087	3.6
128.83006	0.7
137.09755	1.4
138.03302	1.2
150.03261	2.8
151.04062	3.3
152.04843	1.5
163.04080	1.2
165.05544	0.9
166.02663	0.6
171.34648	0.7
177.02032	1.8
191.10861	0.9
193.12384	0.9
197.11916	1.6
207.06538	0.7
208.07469	1.6
219.06697	3.7
219.10245	1.4
221.08231	2.4
223.09799	2.1
233.08244	2.2
234.09001	1.0
235.09721	7.1
236.10632	1.0
247.09801	2.1
248.10426	1.0
255.23373	2.8
261.11673	1.0
289.14386	0.9
295.20236	0.8
301.14661	0.9
303.16046	7.0
315.16138	1.1
329.21408	0.7
343.22836	1.2
352.91153	0.9
355.19327	0.9
357.20840	1.8
358.21844	1.8
359.22427	0.8
369.20901	1.3
370.21439	1.7
371.18481	2.4
371.22421	10.9
372.22717	3.7
373.20206	16.0
374.20746	2.6
399.21786	0.9
439.28659	4.4
442.27264	0.9
455.28140	3.1
456.28519	0.8
481.33160	0.9
509.32977	3.8
510.33380	2.0
561.39972	1.9
579.40564	12.7
580.41144	2.5
610.22839	0.9
663.46515	100.0
664.46814	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	663.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33354	0.4
57.03468	0.5
63.55060	0.4
79.05546	0.6
101.06094	1.0
111.04530	4.7
123.08182	2.0
125.06119	1.0
133.06679	0.4
138.03290	0.4
143.80049	0.4
150.03189	0.6
151.04024	2.3
152.04915	0.4
165.09215	0.5
177.01952	0.5
187.11307	0.6
197.11890	0.6
208.07452	1.4
209.08174	0.5
219.06703	1.3
219.10281	0.6
220.07573	0.8
221.08208	8.4
222.08662	0.8
231.10217	1.8
233.08183	10.8
234.08553	0.9
235.09793	1.6
247.09923	2.0
247.13455	0.6
255.13812	1.0
255.23259	1.6
257.15430	1.9
271.16974	0.5
273.11398	0.8
283.13300	1.0
287.12982	0.6
288.13727	4.0
289.14453	8.1
290.15042	1.0
299.13083	0.4
300.13858	0.6
301.14447	11.6
302.14856	2.3
303.16000	1.4
313.21765	1.0
315.16058	1.0
315.19565	0.7
327.23505	0.6
357.20752	8.4
358.21353	1.8
359.18655	59.4
360.19034	6.6
371.22269	4.8
373.20145	5.1
374.20636	0.6
380.43930	0.4
455.28360	0.9
579.40796	1.0
591.58185	0.4
619.47571	1.8
620.47473	0.6
663.46448	100.0
664.46777	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01379	5.2
68.02483	0.3
70.07936	1.5
71.01388	2.6
73.02954	1.1
81.03462	1.0
83.01398	0.9
85.02978	1.2
88.06600	0.3
89.02441	1.7
95.01381	0.6
98.20533	0.4
101.02464	0.8
107.01387	0.3
107.05046	0.7
107.08641	0.4
109.06607	16.0
110.06963	0.9
111.08170	0.4
113.02475	2.3
123.04543	10.8
124.04845	0.6
125.02472	3.0
127.07671	82.5
128.08003	4.3
141.09239	0.8
151.00407	0.7
151.07680	1.5
153.05624	0.6
156.68585	0.3
161.04568	0.9
167.03519	35.3
168.03831	1.8
171.06651	100.0
172.06999	5.1
191.05626	1.7
195.06667	1.4
213.07639	1.8
273.09821	0.7
322.49768	0.4
329.08795	3.8
330.09091	0.6
333.11914	31.7
334.12183	3.0
363.16763	0.3
489.14163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38219	0.4
70.56697	0.8
70.57056	0.7
79.05565	0.5
88.95835	0.3
89.52695	0.4
94.50968	0.4
101.06107	0.9
111.04529	2.9
123.08173	1.5
125.06107	1.1
150.03268	0.6
151.04025	1.9
152.04796	0.7
177.01973	0.5
177.05606	0.4
180.04308	0.5
189.05550	0.5
208.07330	0.6
219.06665	0.8
221.08212	6.6
222.08769	0.7
231.10213	1.1
233.08199	6.9
234.08731	0.5
235.09738	4.3
236.10373	1.3
247.09749	1.4
255.13841	0.6
257.15485	1.2
273.11240	0.5
287.12793	0.5
288.13675	2.0
289.14453	6.1
290.14951	0.9
300.13583	0.6
301.14487	7.2
302.14822	0.8
303.16138	1.0
312.55142	0.5
313.21680	0.5
315.19650	0.6
317.43774	0.5
329.17487	1.3
343.19073	1.5
357.20743	4.8
358.21445	1.5
359.18634	40.4
360.19012	5.0
371.22232	3.1
372.22574	0.6
373.20154	2.7
374.20700	0.4
413.23578	0.5
429.26227	1.2
463.81815	0.4
472.62750	0.4
579.40588	4.7
580.41028	1.3
618.76050	0.4
619.47620	1.0
620.47180	0.4
663.46387	100.0
664.46753	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	663.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
69.70437	1.2
69.70858	0.6
71.01392	0.4
72.59995	0.3
73.02960	0.3
79.90652	0.3
83.05028	0.4
85.02958	0.9
87.00892	0.4
93.03472	3.2
101.02425	0.3
107.34358	0.3
109.03024	0.2
111.04552	1.8
114.65102	0.2
118.38596	0.2
119.05045	44.5
120.05386	2.0
135.04565	0.5
137.02473	0.5
144.04628	0.5
145.03047	0.4
155.03497	2.1
160.72192	0.2
163.04031	100.0
164.04366	4.2
173.04584	3.4
191.05634	11.1
191.07037	0.2
192.05917	0.3
318.40833	0.2
337.09277	30.8
338.09540	2.7
454.40891	0.3
489.13715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58174	0.2
59.01373	0.4
59.93770	0.2
61.98840	0.4
63.02419	0.4
65.00332	0.5
71.01382	0.7
81.03460	0.3
81.13201	0.2
83.01400	0.4
84.08645	0.2
89.02442	0.3
93.03471	0.3
94.49900	0.2
95.05031	0.2
99.04586	0.3
107.01399	1.0
109.02971	0.4
121.03008	1.0
123.04533	0.6
125.02469	1.3
137.02443	0.3
138.46721	0.2
149.02443	0.4
151.00407	3.5
151.04057	0.7
161.02440	0.3
164.01196	0.2
165.01909	0.6
165.09235	0.4
167.03479	0.6
169.01445	0.3
178.99886	1.7
179.03505	0.6
183.04456	0.4
187.04172	0.3
191.05644	0.6
201.11313	0.4
205.04950	0.5
209.08209	2.6
209.11807	0.4
211.03957	0.3
227.03494	0.4
227.07330	0.3
227.13002	0.5
229.01439	0.5
229.05002	0.9
229.54063	0.4
230.02193	2.8
231.02660	0.3
239.03487	1.0
241.01511	0.3
243.03064	0.6
244.03665	0.5
251.09239	3.4
255.03009	0.5
258.01678	9.6
259.02222	1.6
272.03262	0.8
273.04037	3.8
274.04428	0.3
281.10150	0.3
282.01764	0.4
283.02478	8.4
284.02927	0.7
289.07285	0.4
295.06125	0.3
299.02090	0.3
301.03546	11.9
302.03891	1.0
313.07111	0.9
323.05637	2.6
325.03476	2.0
331.08234	3.5
341.06677	9.2
342.06970	1.0
359.07730	100.0
360.08069	11.2
361.09158	0.3
371.13559	0.4
455.23251	0.4
569.64093	0.3
661.21112	0.7
661.30084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03451	1.5
59.01379	5.8
61.98828	2.9
63.80353	0.3
67.02401	0.3
69.03455	0.7
70.07180	1.2
71.01387	5.8
72.99310	0.6
73.02954	1.5
80.02682	1.2
80.96518	0.4
81.03471	1.7
83.01402	1.2
83.05031	5.4
84.02170	1.0
85.02952	1.9
87.00877	1.8
89.02448	3.4
93.03475	0.5
95.01410	0.7
95.05042	1.7
96.96040	0.3
97.02959	0.6
97.06602	5.4
98.20567	0.3
99.00883	0.7
101.02451	4.9
107.05042	0.5
109.06627	0.7
113.02454	3.1
119.03511	1.0
125.02458	0.6
125.06110	0.7
125.09715	0.9
127.11234	0.3
133.10258	0.9
135.04503	0.5
135.08195	0.7
137.02492	0.8
143.03525	0.4
145.02962	1.2
145.05096	0.8
149.08672	0.3
149.09763	0.5
150.03288	0.3
151.11305	15.9
152.11650	1.0
155.10750	0.3
161.04573	1.8
163.11313	3.7
165.12857	2.1
167.10809	0.5
169.12360	59.4
170.12708	3.0
171.10260	1.1
177.01932	0.9
179.05554	0.3
181.12379	0.8
185.11891	1.3
187.09816	0.3
191.05663	0.8
191.10773	1.1
195.10286	2.8
196.10583	0.3
197.11815	2.2
199.13385	1.0
207.10281	0.5
209.11841	73.5
210.12175	5.5
211.13510	2.3
212.13770	1.1
213.11320	9.3
213.13503	0.5
214.11688	0.6
225.11378	0.8
225.14848	0.3
227.07150	0.6
227.12889	7.8
228.13188	0.8
235.08224	1.8
241.05069	0.5
253.09265	4.6
255.02972	0.4
255.06618	7.0
256.07217	1.1
258.01666	1.5
269.07950	0.7
271.02368	0.3
283.02515	0.8
284.03302	0.6
329.06665	0.5
353.13876	0.8
431.19193	2.4
445.20972	0.6
449.20279	5.4
450.20667	0.7
463.21545	0.4
471.15454	0.5
481.26135	0.7
483.48871	0.3
497.27667	0.7
520.14832	0.3
539.27106	0.3
610.44977	0.3
616.39355	0.3
622.38257	0.3
641.31940	3.0
642.31757	0.3
659.32782	100.0
660.33160	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75116	0.3
55.01884	0.4
57.03461	1.5
59.01381	6.2
61.98835	1.9
69.03458	0.8
71.01384	5.1
71.05019	0.4
71.72173	0.6
72.99309	0.7
73.02943	1.2
80.02694	1.0
81.03448	1.7
83.01388	1.0
83.05037	5.2
84.02186	1.1
85.02951	1.8
87.00902	1.3
89.02461	3.2
95.01421	0.6
95.05044	1.4
95.49062	0.3
97.02980	0.5
97.06601	4.5
99.00892	0.4
101.02460	5.0
107.04995	0.4
107.36342	0.3
109.06583	0.7
111.04552	0.4
113.02474	2.6
119.03516	0.8
125.06116	0.6
125.09750	1.3
133.10243	0.4
135.04532	0.8
135.08182	0.9
137.02350	0.3
145.02943	0.7
145.05138	0.4
149.09718	0.5
151.00322	0.3
151.11304	14.8
152.11685	0.5
161.04584	1.4
163.11336	3.7
165.12848	1.7
169.12361	68.4
170.12703	3.9
171.10266	0.9
177.01930	0.7
179.05602	0.3
181.12334	0.8
185.11833	1.2
186.29219	0.3
191.05580	0.6
191.10825	0.9
195.10246	2.4
197.11832	1.9
199.13469	0.7
209.11841	59.1
210.12210	4.1
211.13501	1.9
212.13757	0.7
213.11337	11.1
214.11702	0.5
225.11288	1.0
225.14941	0.4
227.07031	0.4
227.12888	6.5
228.13145	0.7
235.08186	1.8
253.09251	4.9
254.09618	0.5
255.02818	0.8
255.06642	3.2
256.07120	0.6
283.02505	1.5
284.03247	0.7
307.96280	0.3
417.76318	0.3
431.19138	2.5
449.20264	6.9
449.25851	0.7
450.20850	0.6
481.26257	0.4
630.90356	0.4
641.32172	2.6
642.32104	0.7
659.32867	100.0
660.33246	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42167	0.2
59.01371	0.5
62.15143	0.2
65.18971	0.3
69.92255	1.5
71.01382	1.9
71.29497	0.2
73.02955	0.6
76.78596	0.3
81.03477	0.4
83.01400	0.4
85.02963	1.5
91.01894	0.4
91.05540	0.9
93.03468	0.7
101.02464	1.0
107.08679	4.4
109.03000	0.6
109.06604	4.9
113.02477	0.8
119.05020	1.4
121.03004	0.3
123.04575	0.4
125.02467	1.9
127.07674	0.4
133.02983	0.5
133.06610	0.6
133.64644	0.2
135.04514	1.2
137.02441	0.6
139.04027	0.4
151.07663	100.0
152.01189	0.3
152.08006	5.5
152.09241	0.2
161.02469	0.6
163.04053	1.3
164.04625	0.2
167.03435	1.4
171.06670	0.7
177.05592	8.2
178.05867	0.6
179.03514	0.6
191.05621	4.7
192.06013	0.4
193.08745	0.4
195.06656	3.6
196.06938	0.3
254.00703	0.2
287.05515	0.4
289.03796	0.4
305.06784	1.7
322.28137	0.3
351.07095	0.3
353.08847	0.9
357.11908	79.1
358.12228	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	658.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.05431	0.1
61.98832	100.0
62.98520	0.2
65.62897	0.1
71.72054	0.2
78.95921	0.6
106.95316	0.1
120.58786	0.2
135.23268	0.1
140.37506	0.1
152.99670	0.3
209.11870	0.3
210.12140	0.2
211.13437	0.4
658.36792	0.2
659.36615	0.7
682.70618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62649	0.2
56.42346	0.2
59.01377	63.9
60.01712	0.8
61.98824	0.8
70.57982	0.9
90.97175	0.6
107.15269	0.3
118.96672	0.4
132.98238	1.7
140.51399	0.3
146.97351	0.3
156.71700	0.2
157.03600	1.0
159.01488	1.0
174.99258	24.9
175.99622	0.5
192.95879	1.6
195.52890	0.3
201.02570	15.9
202.02713	1.3
217.00305	100.0
218.00626	2.7
218.98170	0.4
228.86852	0.2
250.49234	0.2
286.15158	0.3
337.64969	0.3
343.03729	1.9
344.04260	0.4
359.01471	31.8
360.01669	3.8
374.99228	49.1
375.99625	2.4
458.09647	0.3
517.00311	10.1
518.00305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98818	0.9
63.02405	3.0
65.00331	5.5
71.01366	0.6
71.71910	0.5
71.72301	0.5
83.01399	3.9
91.70950	0.4
93.03445	1.4
96.96028	0.6
97.02937	0.4
99.59903	0.3
101.02456	0.5
107.01400	10.9
108.99276	0.3
109.02967	2.0
121.02135	0.7
121.02972	10.3
122.03291	0.6
123.00893	0.3
123.04518	0.9
125.02467	0.9
135.04472	0.4
137.02438	1.0
139.00403	0.5
139.04015	1.1
149.02440	1.2
151.00391	37.3
152.00769	1.1
157.14986	0.4
159.04492	0.7
161.02469	0.7
161.06163	0.4
163.00359	0.7
163.04012	0.6
164.01195	1.0
165.01968	0.6
169.01433	2.2
171.04448	0.5
175.04051	0.6
178.99876	16.7
179.03484	0.5
180.00266	0.5
187.04120	0.4
191.05617	0.4
192.00641	0.5
193.01367	0.7
203.03510	0.4
203.07127	0.6
205.05069	1.1
211.04022	0.8
213.00121	0.4
213.01929	2.5
214.02501	0.4
217.08656	0.4
227.03471	1.0
227.12921	0.4
228.04181	0.7
229.05064	1.2
235.04237	0.3
238.02702	0.6
241.01480	0.6
242.02177	0.7
243.02966	0.5
245.04602	0.9
245.08127	0.8
255.03145	1.5
256.03751	11.7
257.04495	2.9
259.02505	0.3
269.00870	0.6
273.04007	2.5
281.04547	0.4
283.02463	1.5
284.03217	1.3
289.07214	4.1
299.02353	0.6
299.05563	4.3
299.08621	0.4
301.03543	100.0
302.03885	8.0
307.14273	0.3
314.07993	1.4
339.08868	0.6
342.07526	1.0
357.09811	42.0
358.10138	4.7
369.13474	3.9
390.67575	0.3
478.33261	0.3
540.64355	0.3
658.31238	0.5
659.32697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03440	0.3
58.00595	0.3
59.01380	3.4
61.98827	0.5
69.03459	0.4
69.86276	0.7
69.86700	0.2
71.01387	2.8
71.05019	0.1
73.02950	0.5
80.02673	0.9
81.03467	1.0
83.01396	0.5
83.05031	4.3
84.02172	0.6
85.02978	0.8
86.87291	0.1
87.00894	0.6
89.02455	2.3
94.57252	0.2
95.01393	0.4
95.05028	0.7
97.02965	0.2
97.06610	0.3
101.02461	2.6
109.06594	0.3
111.08158	0.3
113.02474	1.6
119.03524	0.6
122.47478	0.1
123.04483	0.1
125.02438	0.6
125.06081	0.5
125.09694	0.2
127.11237	0.1
133.05083	0.2
135.08170	0.5
143.03531	0.2
145.05093	0.4
151.03951	0.2
155.10861	0.2
160.13818	0.1
161.04578	1.1
163.11302	3.2
164.11693	0.3
165.12854	2.4
166.13181	0.1
167.10760	0.2
167.14404	0.6
171.10269	1.5
172.10625	0.2
179.05605	0.5
181.12343	0.5
183.13913	6.1
184.14270	0.4
191.10756	0.8
193.12358	1.4
199.13416	0.5
201.35782	0.2
207.10379	0.2
209.11839	100.0
210.12175	6.9
210.14189	0.3
211.13396	94.0
212.13736	6.2
214.69208	0.2
225.11395	0.2
227.12894	15.2
228.13217	0.9
235.08221	3.2
236.08569	0.2
249.14943	1.0
253.09277	8.8
254.09569	0.5
283.55847	0.1
385.23657	0.3
401.23053	0.1
403.24954	0.8
421.26215	0.3
429.21277	0.6
445.20804	2.2
446.21072	0.2
447.22366	3.6
448.22653	0.4
463.22101	0.4
540.80347	0.2
613.32806	0.2
621.32385	0.9
639.33545	0.8
640.33728	0.3
657.35645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03447	0.3
58.00597	0.3
59.01379	3.0
59.76849	0.1
61.98819	0.5
66.95200	0.1
69.03458	0.5
69.73093	1.1
71.01385	2.7
71.05050	0.2
73.02950	0.5
80.02668	0.7
81.03461	0.7
83.01392	0.6
83.05033	3.2
84.02171	0.7
85.02975	0.9
87.00883	0.9
89.02447	1.8
90.47759	0.2
93.75330	0.1
95.01390	0.2
95.05047	0.4
97.06600	0.3
99.00905	0.2
101.02457	2.6
102.02756	0.2
109.06598	0.4
111.08161	0.3
113.02456	1.4
117.91714	0.1
119.03514	0.5
125.02438	0.5
125.06098	0.4
135.08183	0.5
137.09767	0.1
143.03584	0.3
145.05057	0.3
147.11827	0.2
161.04582	1.1
163.11322	2.6
164.11642	0.2
165.12883	1.8
166.13281	0.2
167.10788	0.3
167.14412	0.6
171.10329	0.8
175.11389	0.2
179.05603	0.2
181.12405	0.4
183.13927	6.1
183.65831	0.1
183.97177	0.2
184.14224	0.3
191.10835	0.7
193.12354	1.7
199.13408	0.4
207.10236	0.4
209.11852	71.8
210.12181	4.7
211.13411	100.0
212.13741	7.0
212.80054	0.2
225.11328	0.2
227.12900	11.6
228.13268	0.7
235.08226	3.4
236.08600	0.3
249.14912	1.0
253.09296	8.5
254.09579	0.3
328.08783	0.2
329.09430	0.2
347.06210	0.1
385.23889	0.2
403.24854	0.6
421.25943	0.3
429.21378	0.4
445.20883	1.0
446.21005	0.2
447.22324	5.3
448.22861	0.7
463.21753	0.3
621.33191	0.9
622.33270	0.2
639.33594	1.1
640.34045	0.2
657.34229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87600	0.3
59.01386	0.4
64.27962	0.3
66.76918	0.4
71.01034	0.3
71.01384	1.5
71.70515	0.4
73.02947	0.7
81.03452	0.5
85.02953	1.2
87.00883	0.5
93.03491	0.6
95.01376	0.7
101.02463	0.7
108.02189	41.3
109.02994	15.0
110.03286	0.5
113.02454	0.8
121.02892	0.8
123.00910	0.6
123.04523	0.8
129.01895	0.4
133.02980	0.5
135.04539	0.6
137.23511	0.3
151.04030	1.1
152.01175	40.4
153.01968	18.9
154.02245	0.8
163.04033	1.0
164.15538	0.4
165.01913	1.0
167.03465	0.7
180.71480	0.3
191.05612	1.6
192.99635	0.8
211.72269	0.4
315.07214	100.0
316.07556	10.3
334.97311	0.3
339.42645	0.4
365.04688	0.3
385.05994	0.4
657.18738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.4
69.03446	0.3
71.01385	1.7
71.71617	0.4
73.02947	0.5
74.99101	0.6
76.98681	0.3
78.12215	0.2
81.03472	0.5
83.01418	0.5
85.02962	2.4
87.00920	0.5
93.03475	0.8
95.01395	1.3
97.02934	0.3
101.02460	0.7
108.02187	44.7
109.02998	15.4
109.57220	0.3
110.03294	1.0
113.02475	1.1
119.03551	0.3
119.05038	0.7
121.02970	0.7
123.00900	1.0
123.04507	0.9
125.02484	0.5
133.02946	1.0
135.04543	0.4
136.99181	0.7
138.98763	0.5
138.99722	0.3
151.04044	1.3
152.01175	47.6
153.01967	22.9
153.02924	0.3
153.03281	0.5
154.02312	0.9
163.04036	2.6
165.00563	0.3
165.01923	1.8
167.03506	0.3
173.04716	0.5
177.01923	0.8
179.03549	0.5
185.98296	0.3
191.05629	5.8
192.06029	0.6
195.02972	0.4
203.32713	0.3
215.05505	0.3
225.03891	0.4
265.12775	0.3
266.19965	0.3
303.05176	0.3
315.07211	100.0
316.07556	8.2
351.07248	0.6
353.08807	0.7
385.05988	0.3
445.09885	0.3
458.96063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03440	1.1
58.00600	0.7
59.01082	0.7
59.01382	12.3
61.98830	1.8
65.81074	0.4
69.03460	1.4
70.47829	1.6
71.01392	9.6
71.05022	0.5
72.99313	0.7
73.02955	2.0
80.02677	0.9
81.03458	2.4
83.01396	0.9
83.05031	2.6
85.02963	2.6
87.00893	2.8
89.02467	5.3
90.61480	0.4
93.03476	0.6
95.01402	1.1
95.05051	1.4
97.02975	6.8
97.06591	1.5
99.00906	1.6
101.02463	7.0
103.04032	0.4
106.04239	0.8
107.05056	0.8
109.06615	22.4
110.03747	1.8
110.06939	0.8
111.04517	0.7
113.02462	4.2
115.04050	0.5
119.03529	1.8
120.00151	0.3
121.06628	1.2
123.04582	0.9
123.08195	0.6
125.02478	1.2
125.06123	0.7
125.09735	2.4
135.08206	2.5
136.05316	1.4
142.02751	1.5
143.03484	0.7
145.05092	1.4
145.10234	0.7
161.04567	2.8
161.09712	2.1
163.11319	12.9
164.11649	1.2
165.12885	0.7
167.10793	0.6
167.14452	1.0
171.10295	2.7
179.05661	1.0
179.10794	1.1
181.12354	4.2
183.13930	8.5
185.11861	5.2
187.09741	0.4
189.09270	2.4
189.12805	0.4
193.12300	2.7
197.11877	1.0
199.13428	0.9
201.11389	0.8
203.14407	0.8
205.12346	1.4
207.10287	62.5
208.10605	4.4
209.11859	10.0
209.13753	0.8
210.12173	1.4
211.13417	100.0
212.13766	6.3
213.15009	0.7
219.13884	0.4
221.11917	0.6
221.15495	1.5
223.13359	1.2
225.11334	33.9
226.11687	2.4
227.12898	2.2
228.13422	0.4
231.14043	0.5
232.14378	0.4
233.11844	0.9
235.08191	5.7
243.12323	0.7
247.09691	0.5
247.13402	1.7
249.15005	1.0
251.12959	2.2
253.09296	9.7
263.13403	0.4
263.16479	1.1
265.14389	0.9
267.16208	0.5
273.14969	0.7
275.13184	0.4
275.16553	0.4
281.13962	1.0
299.14938	0.7
313.21405	0.4
321.22226	0.5
329.24866	1.4
339.23395	2.9
340.23694	0.7
355.22614	1.9
357.20639	0.4
357.24573	2.0
358.21292	0.4
365.21356	1.2
373.23947	4.2
374.23856	0.4
375.21445	0.6
375.25586	1.0
375.36700	0.4
383.22324	9.0
384.22653	1.3
391.24918	3.8
392.25415	0.7
401.23367	17.6
402.23413	2.3
419.24399	7.8
420.24844	1.2
437.25891	0.5
443.19281	3.6
445.20557	0.6
447.22446	3.1
461.20261	9.2
462.20532	1.4
475.27057	0.6
493.27759	1.2
494.28406	0.5
528.81195	0.4
593.29321	0.7
609.32953	4.9
610.33374	1.1
611.31110	1.3
612.31531	0.5
619.31390	4.4
620.31683	0.9
627.33740	1.0
637.32440	37.9
638.32758	8.4
652.04407	0.4
655.33490	46.0
656.33813	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	655.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01369	1.1
63.02409	3.4
63.47771	0.5
65.00334	3.7
65.00616	0.6
69.03445	0.8
70.85443	0.5
71.01394	0.8
74.16767	0.6
81.03462	1.0
83.01391	5.5
85.02969	3.2
87.00864	1.0
93.03485	2.0
95.01400	3.8
101.02466	0.7
107.01400	9.9
108.02209	1.5
109.02971	56.4
110.03299	1.8
111.00832	0.7
119.01417	1.0
119.05038	1.1
123.00884	1.7
124.01691	2.8
125.02467	9.3
133.02977	0.9
135.00891	5.7
137.02498	1.8
139.00427	1.1
145.03079	0.6
151.00389	34.4
152.01192	13.0
153.01965	21.2
154.02290	1.1
159.04468	0.8
161.02448	1.3
163.00389	48.5
163.04034	2.1
164.01117	3.0
169.01471	3.8
175.03970	1.2
177.01965	0.7
178.99870	25.2
180.00307	1.1
181.01457	2.4
183.04482	1.0
185.02310	0.6
187.04063	2.1
189.01860	0.8
190.99886	35.8
191.05629	58.2
192.00214	2.3
192.05989	2.3
199.04022	1.7
203.03542	2.5
206.08228	1.7
206.99364	26.5
207.08525	0.7
208.00096	10.8
209.00645	0.8
211.04028	4.7
213.02061	0.8
217.05051	1.9
227.03471	12.6
228.03976	0.8
229.61017	0.9
230.02220	1.2
231.02934	4.3
243.03163	0.7
245.04555	3.8
255.02980	13.3
256.03323	1.2
258.01633	2.2
271.02557	4.0
273.04056	3.8
299.01947	12.8
317.03040	100.0
318.03384	9.7
318.56573	0.7
337.09274	15.4
338.09653	1.1
357.47260	0.8
406.06253	0.7
456.18250	0.6
582.07288	0.8
623.83130	0.7
655.29321	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	653.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64177	0.3
69.41666	2.7
71.05028	1.1
79.01892	1.6
95.05026	3.4
97.02966	1.0
98.20574	0.6
107.05060	0.3
111.04541	2.7
111.08159	0.5
121.02971	0.9
122.03738	0.4
123.04572	0.8
123.08208	0.6
125.06088	1.8
137.06076	0.3
137.09769	1.5
138.03224	0.4
139.04027	8.1
151.04024	5.9
164.08498	0.4
165.01955	1.6
165.09175	0.6
166.02757	0.6
177.09229	0.9
178.02769	0.5
179.03548	0.6
179.10789	15.0
180.04321	2.8
180.11124	0.8
181.04512	0.3
193.08704	1.4
203.07115	2.2
205.08736	1.1
207.06622	4.3
208.07387	2.0
209.08167	2.7
219.06596	0.6
221.03726	0.5
221.08200	73.6
222.08922	18.1
223.09760	84.3
224.10117	5.7
233.08168	2.9
235.09796	4.0
235.17320	0.4
236.10277	0.5
247.09735	0.4
303.15994	0.7
317.13983	0.4
359.18472	0.5
359.22379	0.9
360.19562	1.2
385.27396	1.0
429.26474	100.0
430.26816	15.9
430.32773	0.6
443.27826	1.4
460.23880	0.3
653.37030	23.1
654.37341	5.3
654.47424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01365	2.6
59.01632	0.5
61.87056	0.5
62.85902	0.5
69.74630	1.2
69.75047	3.1
75.33359	0.7
76.06638	0.5
78.95920	0.7
79.01893	1.6
79.65278	0.6
85.69205	0.5
95.05054	1.9
97.02962	1.3
99.08162	0.6
105.76245	0.6
111.04531	2.4
125.06078	1.4
132.76599	0.6
137.09741	0.9
139.04030	4.5
151.04028	3.3
165.01952	1.0
165.09230	0.7
166.02744	0.6
171.10190	0.8
177.09154	0.9
179.10793	8.4
180.04282	1.9
186.91357	0.6
193.08755	0.8
203.07169	1.4
205.08830	0.7
207.06628	3.8
208.07408	1.2
209.08209	2.0
209.11790	1.4
221.08197	49.0
222.08919	13.9
223.09761	55.2
224.10089	4.4
233.08234	1.8
235.09758	14.3
236.10190	0.7
277.21884	0.8
289.14755	0.9
303.16043	1.2
360.19379	2.0
429.26465	100.0
430.26764	15.3
443.27963	1.7
504.39725	0.7
653.37207	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	653.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32172	0.7
58.08092	0.7
59.01370	2.9
61.23577	0.7
70.00620	4.9
78.95945	1.0
95.05054	1.5
98.20541	1.5
99.08176	0.8
111.04560	2.0
115.37582	0.9
115.54664	0.7
125.06083	1.8
131.72578	0.8
137.09726	1.4
139.04091	4.4
151.04034	3.5
165.02023	1.3
166.02695	1.2
179.10774	9.3
180.04305	2.0
180.05846	0.8
193.08650	1.0
203.07155	1.6
207.06650	3.0
208.07338	1.1
209.08208	2.0
221.08203	63.5
222.08858	14.2
223.09769	63.5
224.10164	3.5
233.08199	2.6
235.09746	3.1
255.23227	0.8
271.38223	0.8
277.21631	1.9
313.15286	0.8
359.18738	0.9
429.26483	100.0
430.26859	18.1
443.28094	1.7
517.67621	0.8
638.93634	0.8
653.37573	1.6
654.37207	1.4
667.58154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
65.00329	0.2
69.40669	1.4
69.41090	0.6
71.05025	0.7
79.01888	1.0
93.34963	0.2
95.05039	2.6
97.02969	1.1
97.70460	0.2
99.08195	0.5
101.06073	0.3
107.05064	0.2
111.04527	1.4
111.08176	0.3
117.57917	0.2
121.02947	0.4
121.06564	0.2
123.04521	0.5
123.08202	0.9
125.06091	1.9
135.08249	0.2
136.05342	0.2
137.09738	1.5
138.03226	0.2
139.04025	4.4
140.04356	0.2
147.08215	0.2
149.02501	0.2
150.06856	0.2
151.04041	3.5
151.07761	0.3
155.10773	0.2
161.09787	0.4
165.01935	1.0
165.09245	0.7
166.02727	0.5
177.01942	0.4
177.09227	0.6
179.03540	0.5
179.10791	18.2
180.04317	1.7
180.11104	0.9
193.08675	0.7
203.07143	1.3
205.08789	1.1
207.06635	2.2
208.07410	1.2
209.08199	3.9
219.06639	0.3
221.08202	44.0
222.08907	10.4
223.09761	100.0
224.10103	6.7
233.08183	1.2
235.09764	3.3
236.10400	0.5
247.09799	0.3
289.14178	0.2
317.14078	0.3
359.18436	0.4
359.22351	0.4
360.19293	1.0
385.27524	0.5
429.26465	63.2
430.26794	9.6
443.28061	2.6
444.28366	0.4
510.51028	0.2
653.37042	7.8
653.47833	0.4
654.37402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65683	0.6
59.01387	1.0
67.21872	0.6
70.07913	3.2
71.01387	2.5
73.02950	1.0
74.99131	1.1
81.03522	0.7
81.88622	0.7
83.05032	1.1
85.02946	7.7
87.00900	1.3
93.03468	5.2
95.01388	1.0
101.02468	1.0
108.02187	38.4
109.02990	14.6
110.03368	0.6
111.04530	4.0
119.05045	42.5
120.05392	2.5
121.02940	0.8
123.04533	0.7
127.04031	2.2
133.02986	3.1
135.04523	1.6
136.99193	1.0
137.02501	0.8
140.20465	0.5
152.01169	32.5
153.01970	13.2
154.02309	0.6
155.03525	1.9
161.02396	1.3
163.04025	92.9
164.04373	3.5
165.01941	1.2
167.03554	0.7
173.04544	4.5
175.06126	1.1
179.03615	0.8
191.05626	100.0
192.05952	4.7
199.07408	0.6
214.95567	0.6
215.05565	1.1
248.68690	0.5
315.07208	65.1
316.07687	4.8
337.09256	32.1
338.09525	2.9
351.07202	2.4
353.08875	11.1
354.08939	1.2
416.61588	0.6
511.17123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30722	0.4
62.65406	0.4
69.39941	4.0
71.05025	1.3
77.04012	0.4
79.01908	2.0
85.06602	0.6
95.05053	2.0
97.02966	1.5
99.08200	1.0
102.35718	0.4
111.04520	2.4
121.03008	0.6
123.04558	0.4
123.08215	1.0
125.02500	0.5
125.06062	2.4
131.79346	0.4
132.95007	0.4
135.88507	0.4
137.09761	1.8
139.04042	4.8
151.04013	5.5
151.07738	0.4
161.09718	0.8
163.07558	0.8
165.01965	1.4
165.05624	0.6
165.09248	4.4
166.02754	1.2
177.09189	0.9
179.03514	0.9
179.09303	0.9
179.10796	11.8
180.04289	3.1
180.11125	0.9
193.08719	1.3
203.07179	1.5
205.08688	1.7
207.06635	4.2
208.07495	2.3
209.08205	22.3
210.08508	1.2
221.08202	64.5
222.08917	16.0
223.09764	80.2
224.10147	4.8
233.08241	2.2
235.09741	16.0
236.10365	3.4
247.09798	1.0
249.11191	1.0
289.14380	0.8
303.16211	0.6
335.93109	0.5
359.22321	0.7
360.19321	1.2
385.27475	0.8
398.21454	0.5
429.26465	100.0
430.22360	0.4
430.26804	14.7
443.28024	21.4
444.28497	3.1
653.37018	27.2
654.37537	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	653.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03416	0.4
59.01371	0.9
65.00315	0.6
67.09849	0.4
71.01378	1.8
71.70562	0.8
71.86818	0.4
72.43583	0.3
72.99306	0.4
75.00874	1.5
83.05032	0.6
85.02958	5.9
87.00888	1.5
89.02442	0.4
91.01902	3.1
93.03474	4.6
95.01402	0.4
98.56816	0.4
108.02188	3.0
109.02997	0.7
111.00922	0.6
111.04532	1.6
119.05045	23.5
120.05392	0.9
121.02947	0.6
123.00874	0.5
123.04556	14.3
124.04855	0.9
125.02540	0.4
127.04014	1.4
129.01952	2.0
133.02982	1.3
135.04567	0.6
137.02496	3.4
147.03033	2.3
151.00420	0.7
152.01183	3.4
153.01973	4.9
155.03474	1.1
161.02470	1.8
163.04033	48.5
164.04359	2.5
165.04074	2.3
167.03522	51.3
168.03853	1.9
173.04590	3.0
177.01952	9.8
179.03503	1.2
184.16354	0.4
191.05627	100.0
192.05965	3.4
197.04517	1.0
199.05107	0.6
282.77875	0.5
299.07999	0.6
299.11154	0.5
315.07214	27.3
316.07584	2.2
337.09299	20.5
338.09518	2.3
353.08792	13.7
354.09317	1.1
386.95724	0.5
461.34146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
60.07118	0.4
60.48776	0.4
61.61687	0.4
61.98827	6.8
64.20441	0.4
64.61644	0.5
71.01394	0.7
71.71696	0.5
71.72127	0.7
82.81893	0.4
83.01385	0.5
85.30070	0.4
90.45617	0.4
99.72546	0.4
101.02441	0.5
107.01384	1.4
125.02477	1.9
151.00342	1.9
185.02419	0.6
205.12315	0.5
209.11855	2.0
211.13475	1.5
221.11293	0.4
223.13284	0.7
229.01416	47.4
230.02081	8.7
239.03490	0.6
243.02982	3.6
257.00909	50.0
258.01608	14.8
259.02371	3.0
271.02463	12.4
272.02829	1.0
283.02469	16.3
284.02789	1.7
297.04022	0.8
307.05960	2.2
309.04272	0.6
309.07617	1.1
309.20654	0.6
321.03955	1.9
325.07172	2.0
327.08798	1.3
377.03079	1.6
389.03000	12.6
390.03311	1.4
399.05115	0.8
403.04483	1.1
413.06589	1.9
415.08334	2.1
417.06409	0.8
431.08163	2.2
432.08591	2.2
443.04160	1.8
457.05856	1.0
459.03452	0.7
471.03500	1.0
472.04059	0.9
515.02478	20.5
516.02850	3.8
529.04083	9.9
530.04498	1.3
540.10498	3.1
541.04077	14.8
541.10052	0.5
542.04480	2.0
549.08466	0.6
555.05872	1.1
565.08081	0.7
566.08527	2.9
567.09436	6.6
568.09491	0.9
569.07275	1.1
584.09613	100.0
585.00671	1.0
585.09991	21.8
616.08789	4.5
617.08569	0.9
652.46814	0.7
653.05786	0.9
653.16711	12.4
653.26984	1.0
653.32892	0.9
654.17303	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37638	0.1
57.03422	0.3
59.01374	2.1
60.99296	0.2
61.98831	5.1
63.02393	0.5
65.00311	0.4
69.51334	1.5
71.01388	1.4
73.02946	0.3
83.01360	0.3
83.04999	0.2
83.69444	0.1
85.02956	0.9
87.00867	0.4
88.98810	1.1
89.00316	0.2
89.02450	1.1
93.03468	0.4
94.13936	0.2
95.01394	0.2
97.02921	0.2
98.20596	0.3
99.00880	0.1
101.02441	0.7
107.01373	1.0
108.02229	0.2
109.02949	0.9
113.02443	0.5
115.00342	0.4
115.05522	0.3
116.92838	0.3
119.03489	0.4
119.04939	0.1
121.02921	0.2
123.04544	0.4
125.02432	0.4
127.04022	0.2
133.01456	1.4
133.02985	2.3
133.05067	0.2
135.00832	0.3
135.04486	0.3
143.05017	0.6
143.27823	0.2
143.29659	0.2
147.00856	0.3
147.04478	0.2
149.02435	0.3
150.03291	0.2
151.00395	1.3
151.03970	0.4
152.00882	0.2
155.04993	0.3
157.02913	0.6
159.04544	0.3
161.02374	0.4
165.05638	0.2
171.04527	1.8
173.02391	0.5
173.04543	0.3
175.04039	1.4
177.01910	0.3
178.99899	0.2
183.04520	0.4
185.02490	0.2
187.04037	1.0
189.05573	0.2
191.05629	9.4
192.05968	0.4
197.02423	0.5
197.11752	0.3
198.03235	0.5
199.04024	5.3
199.05591	0.1
200.04352	0.3
201.01945	1.7
203.03490	0.4
207.06575	0.2
209.08258	0.9
213.01747	0.2
215.03508	2.2
215.05440	0.3
217.04834	0.2
225.01962	0.2
226.02718	0.7
227.03517	3.1
228.03658	0.3
229.01547	0.2
233.08252	0.2
242.02235	0.7
243.02960	3.8
244.03362	0.2
255.02992	1.1
261.04062	0.2
263.12891	0.2
271.02466	37.3
272.02829	3.1
275.12885	0.2
282.01688	0.4
299.01981	100.0
300.02356	8.9
301.03397	0.4
311.01990	0.2
351.07355	0.6
353.08780	2.2
354.09250	0.2
455.17789	0.2
461.05182	0.3
463.08813	0.3
473.25931	1.0
532.86536	0.2
542.08643	0.2
609.29187	0.3
652.30127	0.3
653.31982	7.3
654.32458	0.6
680.46899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35212	0.1
57.03426	0.1
59.01389	1.0
61.98813	0.4
63.02119	0.1
63.02384	0.8
65.00298	0.7
65.49245	0.1
70.46832	0.6
71.01383	0.7
73.02946	0.1
79.01900	0.2
81.03452	0.1
83.01379	0.4
84.26742	0.1
85.02924	0.4
87.00863	0.2
88.98817	0.3
89.00314	0.4
89.02435	0.4
93.03445	0.5
94.53387	0.1
95.01411	0.2
96.95985	0.1
97.02947	0.2
101.02456	0.4
101.06075	0.3
107.01389	1.2
109.02957	1.2
113.02444	0.3
115.05536	0.3
116.92888	0.2
119.01369	0.2
119.03516	0.1
123.04573	0.2
125.02465	0.2
127.04023	0.2
131.04980	0.2
133.02972	2.2
134.03259	0.2
135.00883	0.4
135.04439	0.2
139.03992	0.2
143.05034	1.2
145.02983	0.3
147.00865	0.4
147.04506	0.4
149.02458	0.3
151.00369	1.3
151.03990	0.2
155.05008	0.5
157.02931	0.7
159.04524	0.3
160.98778	0.1
161.02469	0.2
161.09709	0.1
169.02921	0.2
171.03238	0.2
171.04536	2.4
173.02419	0.5
175.04018	1.7
177.01926	0.2
179.03503	0.2
181.05040	0.1
182.03720	0.2
183.04492	0.5
185.02419	0.3
187.04016	1.0
188.04411	0.1
189.05569	0.4
191.05620	3.5
191.07323	0.2
192.05823	0.2
195.06638	0.2
197.02547	0.4
198.03163	0.6
199.04012	6.1
200.04317	0.4
201.01958	1.9
202.02258	0.1
203.03456	0.5
209.08255	0.3
213.01949	0.4
214.02675	0.3
215.03513	2.7
215.05579	0.3
216.03828	0.2
219.06447	0.2
225.01923	0.4
226.02660	1.1
227.03493	3.2
228.03824	0.3
229.01439	0.2
237.14969	0.2
241.01358	0.2
242.02249	0.8
243.02985	3.6
244.03264	0.3
249.07701	0.1
255.02995	0.9
259.02826	0.2
267.12335	0.2
271.02454	42.6
272.02789	3.3
282.01697	0.5
299.01968	100.0
300.02319	8.6
300.05875	0.2
307.15512	0.2
351.07196	0.5
461.05429	0.2
473.25549	0.4
609.29041	0.7
652.29767	0.3
653.31903	5.3
654.32623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67661	0.1
59.01377	0.5
61.98809	0.5
63.02392	0.8
65.00313	0.7
66.62844	0.1
67.23806	0.1
71.01371	0.5
71.04965	0.1
71.72163	0.2
83.01375	0.5
84.08408	0.1
85.02937	0.4
85.25064	0.1
88.98797	0.2
89.00321	0.2
89.02435	0.3
91.01862	0.2
93.03448	0.3
95.01373	0.1
101.02438	0.3
102.11253	0.1
105.03450	0.1
107.01385	1.1
108.02249	0.1
109.02948	1.0
111.04533	0.1
113.02457	0.2
115.05537	0.1
119.01394	0.2
121.02986	0.1
125.02435	0.3
127.03924	0.1
131.05005	0.3
133.02969	3.0
134.03673	0.1
135.00887	0.3
135.04539	1.8
137.02408	0.2
143.05038	0.9
145.02951	0.2
147.00848	0.4
147.04520	0.1
148.13266	0.1
149.02458	0.1
151.00377	1.5
155.04999	0.4
157.02954	0.8
159.04503	0.2
161.02441	0.4
163.04080	0.1
171.04529	2.4
173.02435	0.4
173.04544	0.3
175.04008	1.5
177.01842	0.5
179.03487	1.5
181.05055	0.2
182.03754	0.2
183.04526	0.4
185.02458	0.3
186.03188	0.1
187.04027	1.1
189.01837	0.1
189.05582	0.2
191.05621	3.1
197.02512	0.8
197.11800	0.1
198.03232	0.7
199.04016	5.8
200.04340	0.4
201.01959	2.1
202.02184	0.2
203.03473	0.3
209.08208	0.6
211.03989	0.1
213.01952	0.2
214.02693	0.3
215.03516	2.5
225.01910	0.3
225.07576	0.1
226.02701	1.2
227.03502	3.0
228.03824	0.3
229.01361	0.2
241.01451	0.2
242.02280	0.8
243.02972	3.4
244.03304	0.2
255.02907	1.0
271.02457	43.3
272.02805	3.2
282.01718	0.4
287.12820	0.1
298.01297	0.2
299.01968	100.0
300.02319	8.8
300.05896	0.1
351.07028	0.2
353.08749	2.6
354.09375	0.2
461.05035	0.5
609.29962	0.2
644.12512	0.1
652.31281	0.2
653.31903	3.7
654.32330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30131	0.2
57.03451	0.4
61.22407	0.3
70.95421	0.4
70.95768	0.4
75.53877	0.2
79.01901	1.0
85.06617	0.4
86.57584	0.2
107.05059	0.8
111.04539	5.7
111.08172	0.4
122.03734	0.3
123.04527	1.6
123.08191	1.6
138.03156	0.3
139.04021	0.3
151.04030	9.1
152.04362	0.5
165.05528	0.5
165.09264	0.9
166.02737	0.3
177.01930	1.6
177.09262	1.2
179.03467	0.8
180.04335	1.6
190.99994	0.3
191.10796	0.4
193.08771	2.3
203.07173	4.6
207.06645	6.3
207.10289	0.3
208.07394	3.8
209.08195	3.9
209.15549	0.4
210.08401	0.3
221.08203	90.7
222.08748	10.0
223.09380	0.3
233.08238	1.1
235.09752	7.2
235.16905	0.5
236.10040	0.5
249.11287	0.3
254.07886	0.3
261.11319	0.3
263.12949	0.6
275.12616	0.4
287.20285	1.9
291.16092	0.5
301.14444	1.0
303.16205	0.3
319.15512	5.6
320.16034	0.8
343.19348	0.3
347.18445	0.4
361.20221	7.4
362.20609	1.1
406.43948	0.3
429.26328	0.4
539.33655	0.4
567.37482	0.3
581.38171	0.4
582.39246	0.6
651.46411	100.0
652.46722	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48237	0.1
54.70930	0.1
57.03442	0.2
59.01387	1.1
59.08484	0.1
61.98832	0.7
63.02414	0.5
65.00052	0.2
65.00306	0.7
71.01392	0.7
73.02978	0.2
83.01408	0.4
85.02957	0.4
87.00895	0.2
89.00365	0.2
89.02488	0.4
93.03506	0.2
95.01413	0.2
98.20622	0.4
101.02469	0.5
105.03468	0.2
107.01408	1.2
109.02960	1.2
111.04540	0.2
113.02500	0.2
114.93474	0.2
115.00414	0.2
115.05589	0.2
121.02969	0.4
125.02472	0.4
131.05042	0.2
133.02979	3.2
135.00922	0.4
135.04558	2.6
143.05075	0.7
145.03021	0.3
147.00941	0.4
149.02451	0.3
151.00417	1.6
151.04070	0.3
155.05069	0.5
157.02997	0.6
159.04541	0.3
160.98790	0.2
161.02457	0.6
170.03777	0.2
171.04521	2.2
173.02431	0.5
173.04630	0.3
174.89001	0.6
175.04047	1.4
177.01930	0.6
179.03535	1.8
183.04556	0.6
185.02512	0.2
187.04066	1.2
189.05583	0.3
191.05624	4.4
193.08653	0.2
195.06668	0.2
197.02470	0.6
198.03273	0.7
199.04033	5.4
200.04381	0.3
201.01971	1.8
201.11316	0.1
203.03552	0.5
209.08180	0.4
213.01961	0.3
214.02719	0.4
215.03517	2.7
217.05115	0.1
226.02704	0.9
227.03500	2.7
228.03932	0.2
229.01591	0.2
241.01505	0.2
241.73228	0.1
242.02310	0.8
242.12755	0.2
243.02991	4.0
243.06667	0.2
244.03589	0.2
253.69928	0.2
255.02922	0.8
271.02478	42.0
272.02823	3.5
282.01724	0.2
285.04300	0.1
299.01981	100.0
300.02332	9.4
312.65198	0.2
319.01883	0.2
327.05136	0.2
353.08801	3.6
353.60867	0.2
461.05148	2.1
462.05438	0.3
609.28687	0.2
653.32202	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	651.464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55495	0.2
57.03450	0.3
61.10195	0.2
66.04530	0.2
72.86497	0.2
79.01897	0.5
85.06603	0.4
88.51785	0.2
97.06677	0.2
104.56805	0.3
107.05047	0.5
111.04541	4.2
111.08173	0.4
121.06589	0.3
123.04521	1.1
123.08195	1.6
151.04021	5.4
165.05582	0.6
165.09241	0.8
166.02776	0.4
177.01968	0.8
177.09244	0.8
179.03517	0.7
180.04291	1.2
189.09221	0.5
191.10838	1.1
193.08746	1.6
203.07141	2.8
207.06619	4.5
208.07436	3.1
209.08208	5.0
210.08592	0.3
217.08723	0.5
219.06529	0.4
221.08202	50.0
222.08823	6.7
233.08275	0.8
234.08856	0.6
235.09749	7.9
236.10062	0.7
249.11182	0.6
263.12912	1.5
275.12692	0.3
279.12427	0.7
287.20120	1.4
291.16040	1.0
301.08347	0.2
301.14462	0.9
303.16107	0.5
305.17670	0.5
317.14279	0.3
319.11819	0.3
319.15479	5.0
320.16086	0.8
343.19061	0.3
347.18558	0.3
350.41461	0.3
357.20914	0.6
361.20200	6.4
362.20639	0.7
401.23303	0.3
415.24805	0.6
445.25977	0.6
455.52783	0.3
469.29324	0.5
539.33746	1.1
562.17328	0.3
567.36713	0.5
581.39044	0.6
596.41669	0.3
651.46399	100.0
652.46729	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
57.84436	1.6
59.82426	1.4
71.04932	5.6
87.04527	2.4
106.18971	1.6
111.04538	11.3
113.06773	1.7
123.08206	2.8
147.04465	1.6
151.04033	2.3
165.09235	5.5
166.02744	2.7
183.60988	1.7
205.08789	5.7
207.06633	14.9
208.07433	10.1
209.08188	21.7
219.06682	6.9
221.08163	16.5
222.08817	3.0
231.06721	3.0
233.08183	30.5
234.08690	3.3
235.09685	2.7
245.08272	2.2
247.13457	2.4
261.11362	5.5
275.12900	84.2
276.13477	14.8
289.14478	4.0
291.16156	1.7
303.15887	1.7
308.12570	2.5
343.19180	3.6
346.17755	2.6
359.18570	7.5
361.20184	29.6
362.20746	2.3
371.18649	29.3
372.19107	3.7
413.23651	4.2
414.24146	37.1
415.24454	9.3
431.24402	1.9
446.23401	2.2
507.31586	2.8
591.36621	2.4
619.40289	1.8
633.42181	2.0
646.22955	1.8
651.45691	100.0
652.46179	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.9
65.76328	0.8
70.23782	2.0
70.24199	3.3
79.05525	2.0
79.62816	0.9
85.06564	3.8
87.04508	1.9
90.93106	0.8
92.64568	0.9
93.03426	0.9
94.66458	0.9
95.04961	1.3
107.05013	2.3
109.02962	1.4
109.06567	3.3
111.03832	1.5
111.04538	24.5
111.08199	4.5
117.72956	1.0
123.00885	1.2
123.04457	1.4
123.08145	2.5
125.47025	0.9
137.02458	2.3
139.07600	1.2
149.02380	1.4
151.04036	5.4
163.03941	1.2
165.05580	4.7
165.53853	1.1
166.02708	2.3
175.11237	2.5
177.01878	1.3
177.09248	1.3
179.07097	1.6
181.05101	4.3
191.03433	1.0
191.07121	1.0
193.05074	4.9
193.12224	1.1
194.05754	1.3
198.05220	0.9
203.07103	1.6
205.04874	1.7
205.08781	4.8
207.06679	12.9
208.07440	8.1
209.08046	4.1
217.08727	1.0
217.12265	1.2
219.06665	5.6
221.08197	35.4
222.08672	6.0
231.06555	1.3
231.13771	1.3
233.08191	26.5
234.08423	2.5
235.09605	2.6
245.08078	2.3
247.13353	1.7
249.11250	2.7
250.11749	1.0
257.11746	0.9
261.11197	3.0
261.18497	1.9
263.12759	1.3
273.11133	1.6
275.12885	56.7
276.13388	10.3
277.14426	1.7
287.12820	1.5
289.14429	5.6
291.15903	1.6
301.14401	2.7
303.15903	1.6
304.16260	1.3
305.17447	3.3
308.12744	1.1
313.14523	1.6
319.15402	1.8
321.17007	4.9
331.15646	1.2
331.19180	1.7
343.19086	1.4
345.16953	2.0
347.18292	1.3
357.16742	1.3
359.14304	1.4
359.18652	28.3
360.19101	7.8
361.20233	5.6
369.24359	1.9
371.14276	1.6
371.18646	20.0
372.18921	2.0
373.20169	15.3
374.20407	2.8
383.22098	2.7
385.19809	1.5
397.23831	1.3
401.23291	1.9
413.23346	43.1
414.24042	18.0
415.24911	11.9
415.62518	0.9
416.25040	1.8
425.23325	8.9
426.23401	1.3
430.23660	9.0
431.24023	2.0
451.28085	1.3
453.29956	4.2
467.27762	1.2
471.31085	10.6
472.31372	2.6
495.27609	15.5
496.28098	7.8
497.28357	1.3
512.31177	3.0
549.31879	2.2
565.35547	5.8
582.35455	11.2
583.35919	2.5
633.41791	11.3
634.41986	3.0
651.43164	100.0
652.43286	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87292	0.3
59.01376	0.6
71.01390	5.2
71.21909	0.3
71.23024	0.8
73.02943	0.5
85.02969	0.8
91.05538	0.5
93.03469	10.7
101.02444	0.6
107.05078	0.4
108.02192	1.0
113.02515	0.5
115.00386	2.5
119.05044	70.0
120.05383	3.2
121.02948	0.4
123.04523	0.3
131.05008	0.7
132.05812	2.2
133.03006	0.6
133.06627	1.8
134.03790	0.9
135.04562	0.4
143.05064	0.3
145.06599	2.6
147.04593	0.8
153.05646	0.3
160.73587	0.3
163.04030	44.3
164.04419	2.5
177.02003	0.5
177.05598	10.4
178.05988	0.5
191.05635	1.0
197.04535	1.0
209.06065	0.5
210.06877	18.7
211.07648	100.0
212.07996	8.7
237.09201	5.9
238.09814	0.9
239.10776	18.9
240.08890	0.4
240.11026	1.7
253.08684	2.0
283.09766	20.9
284.10114	1.9
303.17322	0.3
325.09286	0.4
327.08783	2.2
328.08972	0.4
337.09348	0.3
353.07956	0.3
373.12939	1.8
445.14966	2.9
489.14087	4.9
490.14496	0.7
622.48383	0.3
651.19403	68.7
652.19727	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	651.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86247	0.1
71.01389	0.1
71.29027	0.4
72.98155	0.1
86.59586	0.1
91.05521	0.2
93.03487	0.8
117.03503	0.2
119.05048	85.6
120.05391	3.9
121.02982	0.3
133.02992	0.8
135.04601	0.2
137.02443	0.5
163.04031	100.0
164.04364	5.2
173.04588	0.2
177.01939	0.2
185.06085	0.1
191.05632	0.5
197.04529	0.3
205.05023	0.5
207.48430	0.1
215.05495	0.2
325.09311	1.9
332.40427	0.1
351.07196	0.6
383.91434	0.2
440.09805	0.2
473.15448	0.1
587.17828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41238	0.5
54.82637	0.5
55.25293	0.6
56.38970	0.5
61.98829	3.4
65.22071	0.6
71.01387	0.7
71.05048	0.6
71.47250	1.1
71.47607	0.8
78.30334	0.5
83.12137	0.6
85.06637	0.7
87.04526	18.6
88.04896	0.5
97.06596	1.0
107.04986	0.6
111.04537	6.0
120.56695	0.5
122.03806	0.9
123.08192	1.2
125.06104	1.6
125.09721	1.2
125.58942	0.6
137.06146	0.8
138.03226	0.9
150.03285	1.2
151.04074	3.1
163.04008	1.7
164.62610	0.8
165.05629	0.9
165.09183	0.7
175.04042	1.6
175.07773	0.6
177.01880	1.2
177.05576	1.7
177.09245	0.9
178.24623	0.6
189.05614	1.2
192.07884	1.2
193.12376	0.8
203.07114	1.8
203.14410	0.6
205.05051	1.4
205.12415	0.8
205.16048	0.8
207.06697	1.0
208.07419	1.4
209.08177	1.4
219.06633	3.2
219.10182	1.1
220.07391	2.6
221.08186	9.6
222.08789	1.8
233.08211	1.9
234.09109	0.9
235.09818	1.5
245.15413	0.7
246.91116	0.7
247.09691	1.8
251.12946	0.8
261.11386	0.7
261.14923	0.8
261.18533	1.0
275.13010	1.1
275.16599	0.7
276.24954	0.6
289.14499	6.8
290.14938	1.1
291.15927	0.7
301.14536	1.1
303.16013	2.7
315.16309	0.6
329.17572	1.2
341.17447	1.5
343.19113	2.4
355.19058	0.7
357.20755	1.2
358.21045	0.7
359.18640	16.2
359.22913	1.0
360.19037	3.3
371.22238	4.3
373.20105	1.3
385.20126	1.2
399.21970	1.3
400.22311	0.7
413.23004	1.2
428.25565	4.9
429.25812	1.1
439.28458	4.2
441.26373	2.3
447.23990	2.2
461.25461	10.6
462.25787	2.4
477.29413	0.7
509.32608	2.5
524.67133	0.7
561.39569	2.5
579.40497	2.4
580.39832	0.8
649.44861	100.0
650.45129	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21270	1.5
71.72885	2.8
81.91250	1.4
85.06573	1.4
87.04510	1.5
91.74092	1.4
111.04554	11.6
123.08158	2.4
151.04070	2.7
177.01987	1.8
192.07909	2.7
205.05035	4.0
207.06686	2.6
208.07402	2.2
209.08177	5.8
219.06645	6.9
220.07382	5.2
221.08203	15.3
222.08693	2.4
233.08188	5.5
234.08916	1.6
235.09804	2.9
247.09846	1.4
278.02530	1.4
289.14536	13.1
290.15048	2.1
301.14404	1.5
303.15814	2.3
343.18961	1.9
357.20834	3.8
359.18665	42.1
360.19080	4.6
361.20142	2.7
395.22348	1.7
428.25784	1.8
447.24353	1.9
461.25482	3.5
475.26947	2.3
592.41425	1.6
649.44867	100.0
650.45251	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	649.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36645	0.6
51.77305	0.6
69.52045	1.5
69.52460	3.6
79.05526	1.3
111.04546	4.3
112.35404	0.6
122.48502	0.6
123.08186	1.4
136.36046	0.8
168.16840	0.7
184.57632	0.6
187.11324	0.9
189.09235	0.7
207.32567	0.6
208.07457	0.9
219.06702	1.1
220.07326	0.8
221.08195	6.7
225.72797	0.7
231.10294	1.1
233.08189	8.1
247.09630	0.9
255.13803	1.3
257.15536	2.0
288.13724	3.9
289.14447	5.8
290.14740	0.8
300.13312	0.7
301.14462	12.8
302.14737	1.3
313.21649	0.7
315.19443	0.7
357.20761	7.7
358.21436	1.9
359.18646	58.4
360.19031	6.1
371.22131	1.8
398.28995	0.6
416.00842	0.6
457.85403	0.7
462.41031	0.6
605.45953	1.0
606.45966	0.9
649.44861	100.0
650.45245	28.4
650.53888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44924	0.2
57.03460	0.7
69.97697	0.3
79.01923	0.5
82.31617	0.3
85.06593	0.7
87.04546	0.4
97.03017	0.3
98.20642	0.6
109.37259	0.3
111.04540	4.8
111.08181	0.3
117.86690	0.3
123.04528	1.6
123.08172	1.5
125.06073	0.4
133.02995	0.3
151.04033	6.8
152.04730	0.4
163.90669	0.3
165.02011	0.5
165.05563	0.7
165.09256	0.5
166.02779	0.5
177.01955	1.2
177.09248	0.9
179.03525	1.1
180.04288	2.0
191.03568	0.4
191.10783	0.9
193.08742	1.8
203.07150	3.0
207.06618	4.4
208.07390	3.8
209.08168	1.8
217.08771	0.4
219.06688	1.3
220.07121	0.3
221.08200	51.0
222.08888	11.2
223.09425	0.7
233.08246	2.5
234.08746	0.5
235.09740	7.4
235.17020	0.5
236.10065	0.5
247.09821	0.3
261.11179	0.3
263.12860	0.6
289.14398	1.8
291.15958	0.6
301.14453	1.2
303.16165	0.4
315.19763	0.9
319.15509	1.4
341.17480	0.4
343.19061	0.4
357.20645	0.7
359.18646	16.9
360.19101	2.0
361.20044	0.8
362.58582	0.3
373.20224	1.2
427.25037	0.4
429.17996	0.3
431.24548	0.3
441.26477	0.9
443.24115	0.5
499.53906	0.3
509.33557	0.3
512.30750	0.4
515.74976	0.3
537.32379	1.1
563.37482	0.4
579.37103	0.3
580.37329	0.5
603.39581	0.3
605.46497	0.4
649.44867	100.0
650.45197	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	649.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63529	0.9
65.28241	0.8
66.28625	0.7
69.02780	0.9
70.39971	0.9
82.17324	0.8
87.04515	4.4
98.19877	1.6
107.63531	0.7
111.04519	3.3
122.03750	1.9
123.08189	1.3
125.18724	0.8
138.03210	1.3
150.03259	4.7
151.03995	5.2
192.08049	1.2
207.06696	1.3
208.07379	1.1
209.08099	0.8
219.06755	1.2
220.07423	0.9
221.08148	11.9
222.08762	2.7
233.08186	3.2
289.14371	6.5
290.15076	1.2
301.14459	4.4
357.20847	2.5
358.21368	1.3
359.18674	28.4
360.19125	4.5
371.22363	3.5
439.28448	2.1
441.26413	1.7
447.23828	1.8
461.25159	1.5
509.32593	1.5
649.44849	100.0
650.45233	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13404	0.8
58.35063	0.8
61.98822	0.7
63.19367	0.7
68.52460	0.7
69.37872	0.7
78.95897	1.7
87.04507	0.9
111.04556	4.2
123.08176	0.9
151.03989	1.0
152.99622	1.5
209.12021	0.9
221.08208	5.9
231.10248	2.3
233.08182	7.8
247.09814	2.1
257.15427	1.4
273.11502	1.1
273.14581	1.1
288.13626	3.1
289.14465	7.2
301.14456	10.2
306.51733	0.8
343.19128	7.8
357.20688	7.7
358.21225	2.5
359.18643	46.8
360.18930	7.2
371.22165	2.1
412.87332	0.7
558.47516	0.9
649.44861	100.0
650.45203	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90593	0.5
57.03430	0.7
58.35523	0.4
70.61837	0.8
79.74701	0.5
83.02486	0.5
87.04552	0.5
111.04524	3.4
123.08183	1.3
151.04031	0.7
152.99612	0.6
180.54631	0.6
208.07402	1.1
209.08269	0.6
221.08221	6.1
222.08810	0.6
223.94827	0.5
231.10297	1.6
233.08199	7.1
234.08638	0.7
239.11232	0.5
245.15596	0.7
247.09729	1.1
257.15402	1.9
273.14783	0.5
274.12030	0.6
288.13657	3.4
289.14423	6.5
290.14868	0.6
300.13486	0.5
301.11053	0.5
301.14459	10.8
302.14819	1.1
313.21527	0.7
341.17773	0.7
357.20691	5.2
358.21304	1.0
359.18637	50.4
360.18961	6.0
368.18951	0.5
371.22406	2.4
579.36853	0.5
605.45825	0.8
649.44855	100.0
650.45209	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	649.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10248	0.8
66.22993	0.8
83.75022	0.8
87.04516	7.4
111.04522	3.9
118.93990	0.8
122.03763	1.2
123.04610	1.0
123.08166	1.2
125.96333	0.9
138.03310	1.1
150.03235	1.4
151.03931	1.2
163.04085	1.1
171.83517	0.8
177.01894	1.1
207.06720	1.3
209.08313	1.3
219.06554	1.7
220.07327	2.0
221.08150	4.0
222.08586	0.9
233.08199	0.9
267.65234	0.9
289.14471	6.2
342.22189	1.2
343.22641	2.3
357.20895	1.2
358.21259	1.3
359.18649	12.6
360.19061	2.1
369.20920	0.8
370.21387	2.4
371.22150	9.4
372.22745	1.4
439.28546	4.3
441.26471	5.2
442.27014	2.5
470.65659	0.8
481.33496	1.4
509.32861	5.6
510.32999	1.8
561.39862	3.9
579.40576	3.0
649.44867	100.0
650.45209	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93369	0.2
52.89931	0.2
55.01868	0.2
58.00599	0.4
59.01378	11.5
60.01661	0.2
69.03455	0.3
70.62909	0.4
71.01383	7.4
71.67142	0.2
72.99300	0.5
73.02951	0.4
83.01437	0.4
85.02956	6.1
87.00893	1.6
89.02453	8.0
89.26392	0.2
93.03463	2.0
95.01372	0.6
95.37122	0.2
98.43102	0.2
99.04506	0.3
101.01790	0.3
101.02448	5.3
108.02167	1.2
109.02969	1.0
111.04537	0.7
113.02472	2.9
113.03700	0.2
115.00341	0.2
119.03516	4.1
119.04935	0.2
125.02488	0.3
127.04025	1.6
131.03551	0.3
133.01486	0.3
133.02998	0.6
135.04538	2.5
136.04918	0.2
137.02484	0.2
143.03531	0.4
145.05159	0.2
152.01205	1.0
153.01950	0.9
161.02467	1.9
163.04042	0.5
171.03026	0.5
173.04584	1.3
179.03514	2.5
179.05646	0.4
191.05621	100.0
192.05975	4.0
218.19447	0.2
295.10339	45.2
296.10730	2.6
315.07178	1.8
333.11948	0.3
353.08774	19.8
354.09094	2.5
550.00403	0.3
653.81934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03447	1.7
58.79220	0.6
59.01377	7.0
61.98834	11.3
65.00359	0.6
65.71111	0.5
71.01389	5.7
71.71880	0.9
73.02961	1.9
78.95904	0.5
83.01404	1.6
83.05045	1.5
84.02190	0.7
85.02940	2.8
87.00900	1.0
88.98837	1.7
89.02458	2.4
93.03468	1.6
95.01399	0.8
95.05074	0.9
97.03011	1.3
99.00933	0.7
99.92591	0.6
101.02465	3.7
106.71344	0.5
108.02188	0.7
109.02970	1.8
109.06535	0.6
111.00894	1.4
113.02454	1.9
116.10399	0.6
116.92871	9.3
117.01962	1.0
121.02968	1.0
123.04565	1.0
124.01683	0.7
125.02478	4.0
125.09744	1.3
126.02827	0.5
127.04103	0.7
127.11266	1.4
133.03059	0.7
135.04468	0.9
137.02480	2.1
142.86134	0.6
143.03458	0.7
145.02998	1.1
146.03807	0.9
149.02531	0.8
150.03319	0.7
151.00418	1.5
151.04031	2.0
159.04546	1.3
161.02486	1.3
161.04550	0.9
163.04041	0.7
163.50597	0.6
165.01974	0.9
171.04584	0.8
171.10286	0.9
172.24022	0.6
173.02518	1.2
173.04599	1.2
174.03265	1.5
175.04092	0.6
177.01912	0.9
179.03574	0.6
182.47891	0.5
183.04535	1.1
185.11711	0.6
187.04015	2.8
187.09801	0.8
189.01944	3.1
190.02605	0.7
191.03705	1.3
191.05620	10.9
192.05934	0.9
201.01907	0.8
201.11340	17.4
202.11678	8.1
203.03545	0.9
203.11841	1.1
205.04990	0.8
209.11865	16.6
210.12169	7.3
211.04033	1.0
211.12302	0.7
215.03487	4.7
216.03786	0.6
217.01488	5.2
218.02147	0.8
226.02623	0.7
227.03436	2.0
227.12936	2.5
228.13118	0.8
229.01524	1.4
230.02243	4.7
231.02878	1.7
235.08295	0.6
239.03508	4.8
241.01537	1.2
242.02171	0.9
243.02986	2.5
244.00008	0.7
244.03807	1.6
245.00974	2.7
246.01711	8.8
253.09296	2.6
254.09721	1.2
255.02969	3.9
255.09882	0.8
257.04675	0.6
258.01682	16.0
259.02466	88.2
260.02841	7.0
271.02472	1.0
272.03259	2.1
273.00433	5.0
273.04037	6.8
274.01193	100.0
275.01501	6.9
282.01660	6.3
283.02493	53.4
283.13101	0.7
284.02872	4.4
285.04056	2.1
287.01953	4.3
288.02774	11.2
289.03540	87.4
290.03909	6.1
290.07022	0.9
298.01080	0.9
301.03537	9.9
302.03903	1.3
307.06354	1.4
320.50574	0.8
323.05600	1.2
325.07269	2.2
325.20163	1.0
331.04550	4.0
341.06665	18.7
342.07059	2.0
343.08267	12.4
344.08371	1.1
359.07739	86.0
360.08078	9.5
388.37805	0.7
389.08789	8.0
390.09119	1.2
401.25647	0.8
442.84494	0.6
545.29633	6.7
563.30872	4.9
605.31415	0.9
649.11774	15.0
649.29413	1.7
649.73962	1.0
650.11945	3.0
667.43536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87720	0.3
59.01382	3.1
61.26534	0.3
65.31545	0.3
69.41782	2.1
69.42188	1.2
71.01385	3.0
72.22945	0.3
73.02976	0.6
75.00869	1.6
83.01386	0.3
85.02976	1.6
87.00914	0.4
89.02474	1.7
91.01916	0.6
91.05564	0.8
93.03490	0.6
95.01406	0.5
99.00922	0.5
101.02424	1.6
106.39192	0.4
107.08689	4.4
109.02953	0.4
109.06604	4.9
113.02451	0.9
118.98071	0.8
119.03481	0.7
119.05061	1.2
123.04620	0.4
125.02445	1.0
133.06619	1.0
137.02405	1.7
151.00345	1.0
151.07666	100.0
151.23454	0.3
152.01056	0.4
152.07985	5.7
153.01955	0.5
163.03978	0.8
167.03528	1.0
177.05591	7.5
178.05798	0.5
178.99829	0.5
191.05670	4.6
193.08768	0.5
195.06630	3.8
226.91951	0.4
285.04092	0.8
289.07224	0.7
303.04935	0.4
323.09576	0.6
323.13458	6.7
353.08813	0.7
357.11911	80.5
358.12216	7.6
449.10947	1.2
450.11313	0.6
628.33228	0.4
647.16235	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	647.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
59.01377	1.8
64.53585	0.1
65.43882	0.1
67.01903	0.3
70.06915	0.2
70.07325	0.4
71.01386	1.6
71.11649	0.1
73.02954	0.2
74.01213	0.1
81.03448	0.2
83.05028	0.3
85.02959	5.6
85.06567	0.2
87.00875	1.4
89.02456	0.7
93.03468	2.1
94.03838	0.1
99.04524	0.2
101.02464	0.7
109.02992	0.6
111.04524	0.8
111.64574	0.1
113.02454	0.3
119.03477	0.3
124.37095	0.1
125.02465	0.2
127.04028	1.8
131.07138	0.6
133.03012	0.8
134.02423	0.1
134.06085	0.1
135.04541	1.6
141.38481	0.1
151.07674	1.4
152.08049	0.2
153.01906	0.2
155.03542	0.2
161.02444	1.8
163.04042	0.2
171.03017	0.3
173.04546	1.7
176.69196	0.1
177.01834	0.2
177.05542	0.2
178.99889	0.1
179.03513	1.7
191.05624	100.0
192.05972	4.0
199.59810	0.1
231.36479	0.1
285.04053	0.2
293.12405	1.6
295.00476	0.1
323.13507	2.0
341.08746	0.2
347.03125	0.1
351.07224	0.4
352.07141	0.2
353.08780	16.6
354.09091	1.7
357.11859	1.4
358.12115	0.2
379.23312	0.1
383.09943	0.2
449.11249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.6
59.01392	1.8
61.98835	24.2
69.41282	6.0
70.50838	0.5
71.01413	0.7
81.34316	0.4
89.02440	0.5
92.02634	0.5
95.01404	1.0
96.96024	0.8
97.02955	0.5
99.04548	1.5
101.02464	1.6
105.00171	0.6
108.02190	1.6
109.02988	0.7
110.00093	1.2
111.00923	1.2
123.00915	7.2
123.04546	5.3
124.01683	80.8
125.02454	2.5
137.02448	1.2
137.99559	0.9
139.00410	27.1
139.04033	100.0
140.00713	0.8
140.04369	4.0
151.00449	0.6
151.03970	0.8
153.01949	13.8
154.02693	1.1
161.04610	0.9
165.01918	2.6
166.02472	0.5
179.03564	0.7
179.31793	0.5
180.04251	1.9
184.60504	0.5
187.13586	0.5
194.05792	0.8
195.06607	2.2
198.05347	0.7
201.11285	0.5
208.10040	0.5
225.07701	1.9
262.04825	11.9
263.05045	0.8
263.07803	0.6
263.12833	2.1
276.06610	0.5
277.07172	69.2
278.07532	6.4
281.01419	0.6
305.08853	1.2
421.11273	0.8
439.12469	63.3
440.12796	8.3
481.13531	22.2
482.14026	3.8
521.16620	3.3
583.16711	14.6
584.17096	2.7
602.21350	0.5
626.13947	0.5
646.18262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.98831	0.5
65.00314	0.3
67.01905	0.3
71.01389	14.0
71.71804	0.7
74.60513	0.3
83.01398	0.8
85.02960	0.9
85.71303	0.3
87.00883	0.5
88.31756	0.3
89.00338	1.5
89.70718	0.2
91.01910	0.7
99.04540	0.3
102.40570	0.2
106.00631	1.3
111.00923	0.6
113.02439	0.6
114.99659	0.4
115.00401	6.9
121.02977	27.2
122.03307	1.1
123.00873	1.4
125.02535	0.3
127.00424	0.7
127.07655	0.6
136.98834	0.3
138.03235	2.6
139.00381	0.8
139.03992	0.5
153.05597	22.8
154.02715	0.4
154.05923	0.9
160.50410	0.3
166.99857	0.8
171.06641	0.5
182.02214	4.2
182.21266	0.2
183.02547	0.4
191.05731	1.7
197.04570	100.0
198.04892	5.5
199.67059	0.3
237.20934	0.3
267.88754	0.3
313.05627	7.0
314.06131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01263	0.6
57.03450	0.6
57.91663	0.6
59.11536	0.6
61.23302	0.6
68.99815	1.5
70.40150	2.1
90.20377	0.6
98.76662	0.6
99.08148	0.7
104.28558	0.7
111.04561	1.0
113.08467	0.7
125.06101	10.0
127.07677	8.1
137.09714	3.3
148.97661	0.7
151.04077	0.8
163.07631	0.7
166.02841	0.7
207.13962	1.1
209.08157	0.8
221.08224	1.2
222.09021	1.9
231.10231	1.5
233.08211	2.0
235.09737	10.1
236.10457	2.0
247.09750	10.6
247.12190	0.8
247.13458	1.6
248.10257	1.3
249.11313	3.9
249.14835	0.7
261.11301	1.9
271.13416	0.6
271.17072	1.0
289.14426	1.9
293.13953	18.0
294.14301	1.5
297.14917	0.7
301.14322	0.7
302.15228	4.0
303.15973	10.1
304.16656	2.8
305.17569	1.3
315.15991	8.9
317.17490	1.7
327.23282	1.0
331.18994	0.8
359.18503	0.7
371.22357	10.9
372.22641	1.7
373.20203	42.3
374.20648	5.3
385.19955	2.1
385.24396	3.2
389.19720	3.0
443.24527	4.1
457.26114	1.5
459.27484	2.3
645.45343	100.0
646.45648	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	645.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37233	0.3
57.03439	0.5
68.99816	0.3
70.95957	0.9
79.05542	0.9
79.98772	0.3
91.68260	0.3
92.46249	0.3
100.43277	0.3
108.89632	0.3
111.04529	0.5
121.10818	0.3
125.06093	4.2
127.07663	0.8
137.09752	2.5
151.03970	0.6
165.05524	0.4
165.09157	0.4
166.02707	0.5
177.01944	0.3
179.10698	0.3
187.11278	0.8
191.03525	0.4
203.10782	0.3
205.05104	0.3
207.13977	0.4
209.08127	0.4
214.09792	0.3
217.08725	0.3
219.06638	0.5
221.08305	0.4
222.08826	0.9
223.09628	0.5
231.10255	2.0
233.08186	1.2
235.09784	6.8
236.10352	0.6
247.09740	9.6
248.10335	0.8
249.11314	2.1
261.11337	1.6
269.15491	0.8
271.17029	1.7
287.12848	0.6
287.16415	0.7
289.14511	0.9
293.13959	7.4
294.14304	0.7
297.14978	0.8
301.14429	1.2
302.15231	3.9
303.16006	8.4
304.16629	0.9
315.16028	9.0
316.16373	1.1
317.14005	0.5
317.17407	0.7
327.19574	0.3
327.23203	0.8
329.21344	0.4
341.25034	0.4
357.20712	0.6
371.22260	8.2
372.22870	2.0
373.20197	53.2
374.20526	6.3
385.20041	0.9
385.24216	3.2
389.19690	0.5
429.22754	2.0
443.24515	0.9
459.27478	1.2
601.46393	1.5
645.45337	100.0
646.45654	25.9
646.61627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80810	0.4
57.03431	1.4
59.75327	0.4
61.78701	0.3
61.98849	0.5
68.99823	2.3
69.41306	0.4
70.95895	0.7
70.96235	0.7
75.33111	0.4
79.01914	0.6
79.05523	0.8
80.64209	0.4
81.42805	0.4
97.06596	3.4
99.08159	2.1
101.06091	0.5
107.05037	0.9
107.61118	0.4
111.04504	0.6
111.08165	0.8
113.62778	0.4
121.06628	0.7
125.06103	17.4
125.09752	3.7
126.06464	0.6
127.07666	9.3
127.47210	0.4
137.09761	3.5
149.09647	0.4
151.04021	0.9
151.07668	0.4
153.09215	0.6
166.02759	0.7
179.07179	0.6
179.10863	0.6
180.04279	0.9
181.08676	0.4
187.11292	1.0
189.09285	0.5
191.03459	0.8
191.10785	0.9
193.08653	1.1
202.88924	0.4
205.05061	1.0
205.12352	1.3
205.15877	0.7
207.10228	1.7
212.06796	0.4
217.08633	0.5
219.06657	0.8
219.10211	1.1
221.08156	0.8
222.09087	0.7
223.09666	1.0
231.10271	1.5
233.08179	1.4
234.08826	0.5
235.09766	13.0
236.10452	2.2
246.08961	0.4
247.09738	10.6
247.13284	2.4
248.10051	0.4
249.11453	0.6
259.16953	0.6
261.11258	1.1
265.14423	0.5
271.16943	2.2
272.79767	0.4
273.18558	0.7
275.16461	0.9
275.20129	0.7
287.12970	0.6
287.16437	0.4
289.14423	1.2
293.13922	0.5
297.14896	0.7
301.14526	0.6
302.15274	2.5
303.15985	9.4
304.16663	2.3
305.14233	0.5
305.17508	2.2
313.21887	0.5
315.12317	0.6
315.16031	9.1
316.16470	0.6
317.17535	1.4
327.23087	0.9
341.17282	0.4
341.20944	0.9
341.24857	0.5
345.20853	0.8
348.24515	0.4
357.24503	2.3
371.22208	7.5
372.22757	1.9
373.20206	50.3
374.20541	6.9
375.21997	1.0
385.24026	2.5
389.19730	1.9
390.20178	0.6
399.25598	1.1
401.23428	0.9
429.22879	3.7
430.22974	0.7
443.24384	41.5
444.24673	7.1
457.25830	2.9
458.26242	1.0
459.27505	5.8
475.26974	0.6
490.25781	1.1
599.43176	0.7
601.46497	1.0
645.45337	100.0
646.45685	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	645.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
68.99817	1.0
71.05026	0.8
71.36202	0.7
79.05522	0.6
81.07130	0.3
95.05028	0.4
97.06604	7.8
99.08176	4.3
101.06083	0.5
109.06594	0.7
113.95381	0.3
121.06599	0.7
123.04549	0.6
123.08175	1.0
125.06102	16.7
125.09740	9.6
126.06407	0.5
126.10175	0.7
127.07663	2.8
127.91267	0.3
129.13675	0.3
133.06636	0.3
135.39053	0.3
137.09726	1.3
147.55023	0.3
151.04060	0.8
151.07733	0.3
153.09267	1.3
163.11354	0.9
169.16029	0.4
177.09248	0.4
178.10205	0.3
179.03506	0.4
179.10892	0.5
180.04266	0.7
189.09218	0.6
191.10883	0.8
203.14561	0.5
205.12378	3.2
205.15964	1.2
207.10280	4.0
208.10735	0.4
217.08742	0.4
217.15990	0.4
219.10355	0.3
219.13904	0.6
221.08105	0.3
223.09860	0.3
223.56085	0.3
231.10303	0.4
233.08221	0.4
233.11758	0.3
234.12596	0.3
235.09737	5.9
236.10544	1.4
247.09708	2.8
247.13443	0.6
249.11243	0.9
261.11298	1.1
261.14893	0.4
264.64185	0.3
270.16318	0.7
271.17084	0.8
273.18661	1.1
275.17010	0.5
275.20035	2.3
289.14420	0.5
292.13098	0.3
301.14600	0.3
302.15225	0.8
303.16058	1.6
303.19162	0.3
304.16656	0.4
305.17398	0.4
315.16190	2.2
315.19504	0.5
317.17667	0.8
319.19138	1.2
330.18481	0.3
331.15442	0.5
331.19107	0.4
341.21271	2.3
343.15436	1.4
357.24347	4.9
358.24734	0.7
371.22467	1.5
372.22855	0.4
373.20227	9.6
374.20636	1.9
375.21906	1.1
383.22592	0.4
385.24237	0.4
389.19650	2.2
390.20422	0.6
399.25513	3.7
400.25961	0.7
401.23438	0.5
443.24387	100.0
444.24716	15.7
457.25912	2.8
458.26401	0.9
459.27527	7.9
460.27847	1.2
475.26810	0.7
599.43274	0.9
600.43567	0.4
645.45325	18.7
646.45465	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	643.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16059	0.1
54.11726	0.1
55.01873	0.2
58.00573	0.2
59.01382	2.7
61.98816	0.2
69.03456	0.7
69.77489	0.5
69.77915	0.4
70.01865	0.1
71.01386	2.5
71.04992	0.1
72.99323	0.1
73.02948	0.5
80.02684	0.8
81.03481	0.8
83.01395	0.4
83.05031	3.6
84.02177	0.7
85.02958	0.7
87.00893	0.5
89.02454	1.9
92.08364	0.1
93.03490	0.1
95.05025	0.4
97.02984	0.3
97.06606	0.2
98.20583	0.2
99.00909	0.2
101.02460	2.6
101.77866	0.1
109.06589	0.2
113.02467	1.5
116.62743	0.1
119.03526	0.6
125.06126	0.4
125.09785	0.3
131.03592	0.2
135.08202	0.3
141.09267	0.3
143.03502	0.3
145.05095	0.4
147.11797	0.2
151.11258	0.3
153.09218	0.6
153.12912	1.4
161.04604	1.0
163.11301	2.7
164.11595	0.1
165.12866	1.8
169.12360	6.2
170.12663	0.4
171.10258	0.9
179.05597	0.5
179.10747	0.7
181.12326	0.5
191.05663	0.2
191.10793	0.7
195.10205	0.1
197.11844	100.0
198.12178	6.2
199.13383	0.3
201.11293	0.3
209.11841	78.8
210.12172	5.0
210.14191	0.3
211.13295	0.2
223.13405	0.4
227.12894	11.8
228.13242	0.8
235.08232	3.4
235.13367	1.1
236.08560	0.2
253.09288	8.8
254.09648	0.5
371.22427	0.3
389.23413	0.5
407.24225	0.2
415.19626	0.3
433.20801	4.9
434.21234	0.6
445.20737	1.0
463.21646	0.2
517.16351	0.1
607.31201	0.7
608.31061	0.2
625.32227	0.7
643.33466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3309
Annotation	Ervafoline
Peak:m/z	Relative Intensity
57.80243	0.3
59.01369	0.5
61.98828	1.6
62.52074	0.3
69.03474	0.3
71.01397	0.3
71.71774	0.5
76.26543	0.3
79.05528	0.3
81.66954	0.3
93.03497	0.7
111.04548	0.4
147.04558	0.4
158.27913	0.2
171.10202	0.4
173.04575	0.5
175.03973	0.5
183.13875	0.4
197.11845	1.9
199.04150	1.4
203.07137	0.6
203.10799	1.0
209.11838	1.2
211.13388	4.5
212.13733	3.0
213.14003	0.8
216.05756	0.6
217.01790	0.3
217.05266	7.0
217.08649	4.3
218.09065	0.5
227.12950	0.3
229.08696	1.1
231.10275	2.2
300.02521	0.3
365.10565	2.6
366.11035	1.4
367.11551	0.3
379.07925	0.4
379.12338	1.5
379.16281	0.3
380.12878	0.8
393.09595	2.1
393.14291	0.6
394.10730	3.2
395.11313	0.4
407.11313	5.2
407.15430	0.7
408.12009	1.0
408.16644	2.3
419.15683	1.5
420.15540	0.4
421.13074	5.2
422.13507	0.8
435.14798	4.5
436.15518	22.9
437.15924	2.4
447.14667	2.3
448.15573	0.7
449.16333	4.9
450.16681	0.6
461.16217	1.5
462.17087	0.4
468.14539	1.6
475.17648	0.7
489.19406	0.5
491.17542	0.6
501.19464	2.8
502.20053	0.4
503.21100	1.0
504.21277	0.4
505.18372	0.5
515.21368	0.5
517.22461	1.3
531.20648	0.6
545.21796	0.3
557.25745	3.1
558.25403	0.4
559.23383	1.6
573.25098	1.2
574.25854	1.5
625.31689	0.3
629.26154	0.3
643.33112	100.0
644.33423	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53794	0.4
59.01376	1.5
61.98834	5.5
65.30689	0.4
67.01913	1.2
68.65553	0.4
71.01386	1.2
71.66204	0.6
71.66547	0.4
73.67107	0.4
80.96512	0.9
85.02945	0.4
88.98811	0.5
89.02473	0.8
93.03479	0.6
96.96031	1.2
101.02467	0.7
107.05077	0.9
108.02282	0.6
109.02965	4.3
114.90089	0.5
121.02980	0.9
123.00928	1.5
123.04588	0.9
124.01678	0.6
125.02465	1.6
133.02972	0.5
135.00938	0.5
135.04564	1.1
136.01660	1.4
137.02460	23.6
138.02809	0.9
139.00511	0.3
139.04010	0.6
145.02928	0.4
147.00873	0.7
147.04561	0.5
148.01727	0.4
149.02448	1.1
150.03241	2.1
151.00388	5.2
151.03990	4.9
152.01108	1.5
152.04808	1.7
153.01973	0.9
153.05629	0.4
159.04623	0.4
161.02469	0.8
162.03224	1.0
163.04004	0.9
164.01227	2.0
164.04694	0.6
165.01949	100.0
165.05566	3.0
166.02718	15.7
167.03470	2.7
173.02470	0.5
175.03989	1.6
176.04698	0.4
177.01944	1.6
177.05623	1.3
178.02704	1.2
179.03510	21.7
180.04300	52.0
181.05074	18.9
182.05388	0.9
184.03793	0.8
187.04012	2.1
190.06274	1.0
191.03555	0.8
191.05627	1.3
192.04317	1.2
193.05093	1.4
194.05847	3.5
195.03059	2.1
195.06636	68.2
196.06998	3.7
197.11821	1.4
202.06316	0.6
203.03525	0.5
204.04236	0.7
205.05058	4.5
205.08740	0.7
207.06645	1.4
209.11865	1.6
210.05357	11.1
211.05704	0.9
219.06516	0.6
220.07425	2.3
221.08226	2.8
222.08644	0.7
223.08815	0.8
225.07692	54.4
226.08018	3.1
227.03427	0.4
227.12842	0.7
233.08310	0.5
235.09810	0.8
245.19681	0.4
273.03891	0.5
289.07126	0.5
339.08957	0.4
341.06567	0.5
355.07794	0.4
359.11407	2.1
371.11304	0.9
372.11969	1.2
373.13202	0.5
385.12585	0.6
386.13748	1.0
387.10611	2.8
387.14874	6.2
388.14957	0.9
402.13037	1.6
403.13898	2.1
404.14108	0.6
416.14798	1.3
417.15576	27.0
418.15762	3.7
459.07141	0.4
565.21234	2.7
566.19080	0.4
580.19800	0.9
595.21881	39.6
596.22107	8.5
599.26941	0.4
642.31787	0.6
643.33002	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	642.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83149	0.2
59.01360	0.3
61.98834	100.0
62.99231	0.2
69.84328	0.8
69.84744	0.3
78.95927	0.2
96.47897	0.2
129.79060	0.2
138.36258	0.2
152.99641	0.2
206.58319	0.2
209.11884	0.2
211.13300	0.2
221.08139	0.2
284.11411	0.2
305.41827	0.2
462.57181	0.2
642.37665	0.3
643.38989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.4
59.01376	1.6
61.98833	0.9
66.97235	0.3
67.01902	0.6
67.03483	0.3
67.84338	0.3
69.03433	0.3
69.82671	1.7
71.01385	1.3
73.02956	0.4
81.03455	0.6
83.01398	0.5
83.05058	0.4
85.02956	11.0
87.00878	2.1
93.03468	4.9
95.05051	0.5
99.04533	0.3
108.02209	0.3
109.02976	5.5
111.04527	1.5
119.05035	1.0
123.04533	2.9
124.04859	0.3
125.02443	1.6
127.04015	2.3
127.89732	0.3
133.02979	1.0
135.04549	1.8
136.39177	0.3
137.02449	0.9
139.04031	0.3
145.02998	0.4
147.04521	0.8
149.02486	0.3
151.04008	2.1
151.07690	0.6
152.04399	0.3
155.03508	0.3
159.04520	0.4
161.02493	1.9
162.03201	0.4
163.03993	1.5
165.01915	0.3
167.03508	1.1
171.02994	0.5
173.04544	1.6
175.03960	0.4
177.01938	5.3
179.03510	1.2
187.04045	0.6
189.01970	8.6
190.01031	0.4
190.02635	1.8
191.05623	100.0
192.05986	5.1
199.03979	0.5
200.04453	0.3
203.03514	1.0
203.07188	0.6
205.05081	0.3
216.00703	0.9
217.01427	5.8
218.02049	0.8
219.03001	3.0
231.03004	2.3
233.04538	0.4
245.08197	0.7
281.04480	0.7
289.07169	2.3
297.07690	0.5
299.05621	1.4
305.06726	0.8
317.56979	0.3
323.05621	0.5
341.06668	24.5
342.06937	2.0
353.08710	3.4
354.09061	0.3
357.12152	0.3
407.10220	0.3
409.35605	0.3
449.08932	0.3
451.10336	33.3
452.10611	4.7
492.42093	0.3
507.40082	0.3
643.16187	1.9
644.16638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.2
57.03450	0.2
59.01381	1.4
60.38488	0.1
61.98835	1.0
69.03448	0.5
70.63966	0.2
71.01385	1.5
73.02947	0.5
83.01394	0.3
83.05072	0.3
85.02955	0.5
87.00876	0.4
89.02450	1.3
101.02457	1.4
111.04460	0.2
113.02470	0.9
119.03528	0.3
121.03027	0.2
123.04520	0.2
124.32885	0.2
124.81448	0.1
125.02424	0.2
125.06062	0.2
141.35599	0.2
143.03485	0.2
145.05118	0.2
155.10799	0.3
161.04582	0.6
165.12877	0.3
167.10771	0.3
167.14398	0.4
171.10321	0.2
179.05609	0.3
181.12224	0.2
183.13914	6.2
184.14279	0.3
191.05672	0.4
193.12354	1.7
197.11937	0.4
199.09769	0.4
209.11771	0.3
211.13403	100.0
212.13750	6.6
212.15817	0.3
223.13406	0.6
225.11484	0.2
235.08240	2.0
241.04720	0.1
253.09280	3.3
254.09541	0.2
255.06537	0.2
387.25522	0.7
405.26633	0.4
429.21179	0.8
447.22363	6.3
448.22690	0.7
459.22070	0.1
597.33325	0.3
623.34839	1.2
624.34448	0.2
641.32098	1.0
642.34009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84355	0.2
57.03447	0.2
59.01390	0.8
60.99310	14.8
61.98828	1.6
62.83347	0.2
63.52356	0.1
70.19938	0.4
70.20347	0.3
71.01388	0.9
73.10277	0.1
80.16843	0.1
81.03471	0.4
83.01376	0.2
83.05040	0.5
85.02963	0.4
85.93477	0.1
87.00893	0.3
87.04520	0.5
88.98817	100.0
89.02444	0.9
89.99152	1.0
93.03443	0.3
99.00954	0.2
101.02447	0.4
109.02975	0.2
111.00858	0.2
113.02434	0.3
124.01663	0.2
125.02464	0.5
137.02412	0.2
151.00385	0.7
151.04060	0.1
162.03181	0.2
165.12947	0.2
173.06035	0.2
178.99886	0.4
183.13885	0.6
191.05644	1.1
195.06514	0.2
205.05162	0.2
227.12920	1.5
228.13263	0.2
243.17250	0.2
257.04669	0.1
275.09283	0.5
289.07135	0.2
301.03571	0.7
318.00684	0.2
338.74753	0.1
352.08920	0.1
389.18042	0.8
390.18570	0.2
447.07379	0.3
449.14499	0.4
463.06760	0.4
495.96539	0.1
511.25827	0.2
553.26642	0.4
578.16180	0.2
598.04688	0.2
641.31622	2.3
641.41852	1.5
642.32074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59889	0.5
57.03448	2.5
59.01122	0.7
59.01380	7.2
64.66439	0.5
64.80777	0.5
67.01900	1.0
69.03448	1.0
71.01384	8.2
71.28622	0.5
71.28961	1.1
72.99311	2.6
73.02950	0.8
75.00880	9.5
81.03476	0.7
83.01388	1.0
83.05066	0.6
85.02958	12.7
87.00890	4.7
89.02435	2.4
93.03474	4.8
95.01392	3.6
95.05038	0.8
97.02979	0.7
99.00900	5.5
101.06095	64.7
102.06429	2.4
103.00390	1.0
105.03470	1.8
109.02961	4.6
111.00907	0.6
111.04509	0.8
111.08083	0.5
113.02465	12.1
115.00391	1.0
117.01959	1.7
121.02935	0.9
122.03707	0.5
123.04534	3.4
125.02451	7.3
127.04014	0.6
129.01965	1.3
133.02969	10.8
134.03378	0.5
135.04521	2.4
137.02499	3.6
147.04506	0.4
149.02454	0.7
151.04010	1.8
159.04564	0.7
161.02444	1.9
161.06046	1.0
164.01245	0.5
165.01897	1.2
173.04575	4.0
173.05966	0.8
173.08173	0.9
174.03163	0.9
175.02473	1.5
175.04031	2.2
177.01978	4.2
179.03528	2.4
187.03964	0.7
188.04736	0.8
189.05605	0.6
191.05624	22.2
192.06021	1.2
199.04065	0.7
199.07579	0.5
201.01958	0.8
203.07146	1.7
205.05080	1.6
215.05560	2.5
217.05017	1.1
221.08093	0.6
225.05533	0.5
227.07231	0.7
231.05069	1.5
243.03004	1.5
245.08202	2.0
246.08568	0.5
249.06133	11.8
250.06485	0.6
253.05295	1.1
267.07236	1.0
271.06082	0.8
284.03232	0.6
287.05646	0.9
289.07178	11.3
290.07495	1.4
291.11096	0.6
297.04114	3.2
333.11951	0.8
338.05075	0.5
351.07425	6.3
351.12955	100.0
352.08151	0.9
352.13275	9.6
353.08932	1.0
405.09528	1.1
407.07892	0.5
423.10928	2.0
431.16690	0.5
449.08771	11.6
450.08987	1.6
450.90637	0.5
488.71396	0.5
489.10364	1.2
492.47037	0.6
620.71613	0.6
641.14728	4.4
642.15387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
57.08226	0.2
59.01379	1.7
61.98823	0.2
67.01885	0.4
71.01384	1.6
73.02949	0.4
80.12900	0.1
81.03468	0.4
83.05041	0.5
85.02959	10.4
86.03315	0.2
87.00882	2.3
89.02454	0.2
93.03470	3.8
97.02979	0.2
98.20611	0.6
99.00916	0.2
99.04542	0.3
101.02444	0.2
109.02975	1.7
111.00915	0.2
111.04526	1.4
113.02451	0.4
123.04524	0.9
125.02469	0.5
127.04035	2.3
137.02455	0.3
142.75323	0.1
151.00342	0.2
151.03996	0.5
155.03511	0.4
171.02988	0.7
173.04594	1.9
175.04089	0.3
177.01993	0.2
191.05624	100.0
192.05981	3.7
199.04115	0.2
207.10249	0.2
211.04083	0.2
213.05586	0.5
214.02707	0.2
225.11374	0.2
227.03571	0.9
228.04306	1.0
242.02284	0.3
243.02963	2.2
244.03419	0.2
255.02980	7.9
256.03696	3.1
257.04504	1.7
258.05084	0.2
269.04611	0.9
282.01596	0.5
283.02545	1.5
284.03174	0.5
285.04022	2.9
286.04254	0.4
289.06940	0.2
297.04071	1.1
299.05688	0.3
389.06082	0.2
397.13443	0.2
407.07709	17.9
408.08069	2.1
449.08707	4.0
450.09128	0.4
467.09839	3.8
468.10132	0.6
641.15253	8.2
642.15527	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	641.1742
Annotation	Brartemicin
Peak:m/z	Relative Intensity
53.96072	0.4
59.01371	0.8
65.00323	0.9
68.06121	0.3
69.73600	2.6
71.01389	11.8
83.01362	0.4
85.02976	1.9
87.00905	0.5
91.01904	4.6
93.03451	0.7
102.67394	0.4
107.08685	0.6
108.02197	3.7
109.02958	1.3
109.06586	0.8
111.00928	0.7
113.02491	0.6
115.00393	6.4
119.05040	1.1
123.04543	21.4
124.04887	0.9
125.02447	0.8
129.02007	0.6
133.01450	0.7
133.02974	1.0
135.04575	0.6
137.02409	0.6
139.00435	0.4
151.07675	13.5
152.01176	4.8
152.07999	0.5
161.02510	0.5
163.04037	1.1
165.01959	0.6
167.03519	100.0
168.03847	4.3
173.02454	0.4
173.04541	0.4
174.03119	0.4
175.04036	1.0
176.04330	0.4
177.01978	0.8
177.05592	1.2
179.03542	0.4
191.05634	11.9
192.06021	0.4
193.04829	0.4
199.04065	1.2
215.03566	0.4
243.03046	0.9
253.05081	0.9
283.04602	8.6
284.04987	0.4
289.07321	0.4
297.04147	2.2
315.45013	0.3
352.32779	0.3
357.11917	8.2
357.16046	0.7
358.12305	0.6
405.09448	0.8
406.09143	0.4
407.07852	0.6
408.08096	0.4
423.10895	1.3
449.08813	6.2
450.09372	1.1
463.97812	0.3
512.03479	0.4
568.26672	0.4
641.14825	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	641.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01381	2.1
59.92714	0.3
61.98825	1.5
67.01878	0.5
69.03453	0.8
69.58650	1.3
69.59058	1.1
69.67365	0.3
71.01381	1.6
71.05010	0.5
73.02936	0.8
81.03493	0.5
83.01402	1.0
83.05032	0.6
85.02956	10.1
87.00898	2.6
89.02478	0.4
93.03471	5.0
95.01402	0.5
95.05033	1.4
96.05465	0.3
97.02963	2.2
98.03330	0.4
99.00871	0.5
99.04543	0.5
101.02463	0.6
105.03485	0.4
108.02204	0.5
109.02964	8.3
110.03292	0.4
111.00906	0.9
111.04548	1.7
113.02460	0.3
120.99686	0.4
121.02951	1.5
122.03748	0.6
123.00903	0.5
123.04552	3.0
125.02464	15.9
126.02845	0.8
127.03102	0.4
127.04012	3.1
133.02995	1.2
134.03754	0.7
135.04538	3.5
137.02458	3.4
139.04036	4.6
140.04350	0.9
141.04520	0.5
145.02957	0.8
146.03688	0.4
147.04521	1.3
149.02477	2.1
150.03201	1.2
151.04018	1.8
153.01958	2.3
154.02332	1.3
155.03587	0.7
159.04512	0.9
161.02484	5.2
161.06053	0.8
162.03142	1.2
163.00392	0.8
163.04010	1.0
164.01161	0.6
165.01935	5.2
166.02266	0.5
171.03023	0.8
171.04539	0.4
173.04570	2.3
173.06078	0.9
174.03130	0.5
175.04008	4.1
176.01161	0.9
177.01945	4.4
177.05505	0.4
178.02544	0.5
179.03491	2.2
183.03006	4.7
183.04507	0.5
184.03368	2.6
185.03430	1.1
185.06070	1.1
187.04033	1.0
187.16559	0.3
189.01949	3.5
189.05574	0.6
190.02701	3.0
191.05621	100.0
192.04109	0.5
192.05965	3.4
197.06142	0.5
199.03996	0.9
199.13475	1.6
201.01918	0.7
201.05588	0.4
202.99803	0.5
203.03546	0.4
203.07182	0.3
205.05052	1.2
209.06090	0.4
212.04929	0.4
213.05597	1.2
214.02689	0.4
214.06372	0.5
215.07138	0.7
216.00639	0.8
217.01436	3.1
217.05057	2.9
218.01857	0.3
225.05525	0.8
225.11324	1.0
227.03511	1.5
227.07175	0.6
228.04158	0.8
229.05074	0.6
229.08650	0.6
231.03006	1.3
240.04266	0.5
241.04890	0.5
242.02039	0.5
243.02972	2.0
243.06670	0.5
243.12233	0.4
247.06010	0.7
253.05013	0.6
255.02956	5.3
255.06747	0.7
256.03674	2.7
257.04468	1.8
259.06067	0.5
269.04553	2.8
271.06076	3.0
272.69766	0.4
281.04541	1.1
282.01746	0.4
283.02478	1.5
283.05676	0.5
284.03262	3.6
285.03992	3.1
286.04474	0.4
287.05533	0.9
289.07114	0.9
295.06003	0.4
297.04044	9.4
297.07458	0.6
298.04422	1.2
299.05573	1.7
309.03958	0.7
313.07227	0.9
319.04697	0.8
320.04901	0.9
321.05005	0.7
325.03491	1.1
327.05106	1.1
339.05310	0.5
341.06693	0.4
353.08795	1.3
367.10236	0.5
405.09738	0.6
407.07724	11.9
408.07971	2.2
423.10889	15.6
424.11139	1.9
431.07751	0.4
449.08762	49.7
450.09106	6.9
467.09818	4.3
468.10086	0.5
581.22577	1.3
641.15320	9.3
641.26886	3.2
642.15839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01375	2.2
61.98821	1.1
67.01867	0.6
68.47903	0.5
71.01384	1.3
71.70615	0.9
81.03450	1.3
83.01385	1.3
84.75056	0.5
85.02956	10.9
87.00885	2.1
93.03472	5.7
95.05007	0.6
97.02965	1.8
98.87616	0.5
99.04546	0.8
108.02146	0.6
109.02960	10.8
111.04537	2.1
113.02489	0.6
119.05058	1.3
121.02972	3.5
122.03770	0.8
123.04533	3.9
124.04848	0.6
125.02470	9.1
126.02843	1.0
127.04015	2.6
127.07632	0.8
133.02963	4.4
134.03752	0.9
135.04567	4.1
137.02435	5.3
138.20015	0.5
139.04047	0.9
145.02953	1.4
146.03735	0.8
147.04497	2.8
149.02470	2.8
151.04024	3.0
152.04362	1.0
155.03502	1.9
156.83707	0.5
159.04570	1.4
161.02464	5.9
161.06113	0.9
162.03180	1.7
163.00374	1.5
163.04012	2.3
164.01242	1.1
165.01936	5.6
171.03049	0.7
171.04587	1.1
172.05420	0.6
173.02443	1.0
173.04568	3.8
173.06071	1.9
174.03252	1.5
175.04036	7.0
176.01181	1.3
177.01955	6.8
179.03464	2.5
185.06082	1.2
187.04054	1.7
188.04764	1.0
189.01956	5.8
189.05597	1.6
190.02711	4.0
191.05623	100.0
192.05913	4.0
194.56001	0.6
197.06071	0.8
199.04013	2.0
201.01842	0.9
201.05562	1.2
203.03484	1.0
203.07124	1.0
205.01361	0.8
205.05081	2.6
211.03978	1.0
211.07646	0.8
213.05579	2.0
215.03569	1.1
217.01410	5.0
217.05016	5.3
218.02325	0.7
225.05626	1.6
227.03537	2.1
227.07188	1.1
228.04202	1.6
229.05075	1.1
229.08598	0.8
230.05536	0.5
231.02992	1.9
240.04234	1.0
241.05002	1.3
243.02966	5.1
243.06757	1.2
245.08246	0.8
246.08470	0.6
247.06113	1.2
253.05077	2.2
254.06032	0.6
255.02959	4.8
255.06599	1.5
256.03699	2.4
257.04483	2.5
259.06207	1.1
269.04562	2.3
270.05325	0.9
271.06033	3.7
273.04019	1.1
279.02975	0.8
281.04648	2.4
283.02533	1.8
283.06192	1.5
284.03284	7.0
285.04044	3.7
287.05569	1.1
289.07104	3.3
290.07571	1.2
295.06073	0.7
297.04056	12.3
298.04474	1.2
299.05457	3.0
300.05920	0.7
307.08289	1.1
313.06924	0.7
325.03625	1.1
327.04974	1.6
340.05832	0.7
351.07230	1.6
355.12109	0.6
405.09821	1.6
407.07678	10.4
408.08038	4.3
418.73569	0.6
423.05154	1.2
423.10870	26.4
424.10980	2.7
425.08936	1.1
426.09152	1.9
449.08749	75.0
450.09122	9.9
452.10352	0.8
467.09946	4.7
468.10138	0.7
477.15167	0.6
489.10709	0.9
578.13812	1.8
641.15015	9.6
642.15912	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	640.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83553	0.9
57.03181	0.8
57.03448	11.3
59.01374	1.9
61.98832	18.6
69.73953	6.2
81.03469	2.1
83.01398	4.8
83.05033	1.3
85.02953	3.2
87.00887	1.3
93.03483	5.2
95.05046	2.4
95.81197	0.8
97.02951	3.4
98.19930	1.8
101.02510	0.7
103.80591	1.0
105.03472	1.0
107.05033	1.8
108.02200	1.7
109.02968	20.5
110.03300	1.0
111.04583	1.4
117.03515	1.1
119.05082	0.9
121.02964	3.4
122.03747	1.3
123.03687	1.5
123.04533	13.0
125.02464	100.0
126.02803	2.8
131.05061	0.8
133.02972	7.1
135.00896	0.8
135.04521	3.3
137.01421	1.6
137.02451	23.9
139.04022	3.6
145.02945	1.7
146.03830	1.5
147.04558	1.6
149.02448	7.0
149.06088	1.9
149.76006	0.8
150.03188	1.8
151.04019	14.4
159.04535	4.0
159.59010	0.9
160.05347	0.8
161.02461	26.7
161.06114	4.9
162.03133	2.0
163.00372	2.1
163.02888	0.8
163.04021	5.4
164.01157	3.5
165.01944	6.4
167.03502	2.5
173.04550	3.2
173.05902	1.3
174.03342	1.7
175.04034	14.2
175.07648	1.4
177.01939	7.8
177.05542	1.2
179.03510	6.1
185.06139	1.8
187.04027	8.2
188.04843	4.1
189.01953	1.1
189.05524	3.7
190.02737	1.2
191.05627	22.2
191.07292	1.5
193.05084	1.0
199.03975	2.0
199.07620	1.4
201.05522	1.8
202.06296	1.2
203.03493	2.5
203.07173	10.3
204.99261	0.8
205.01372	1.8
205.05042	9.3
211.04045	1.5
212.04774	1.4
213.05679	2.3
215.03503	2.1
217.04953	3.9
221.08229	1.2
225.05609	1.7
227.03484	1.6
227.07066	2.8
228.04269	1.3
229.04967	4.3
230.05855	1.3
231.02927	3.1
231.06606	1.8
243.02965	6.6
243.06683	1.2
244.03633	1.1
245.04556	6.2
245.08171	14.4
247.06142	1.2
253.05046	2.2
255.03001	11.2
255.06514	1.4
256.03766	4.7
257.04526	5.7
259.06064	1.5
261.07599	1.2
269.04489	2.4
271.06161	4.4
273.04028	5.2
281.04575	5.1
283.02423	2.8
284.03256	1.2
285.04031	3.8
287.05576	12.9
288.05893	1.3
289.07187	61.1
290.07559	4.0
297.04126	5.0
297.07224	1.4
299.05649	8.1
329.06760	1.6
339.08594	4.3
341.06592	0.9
351.07205	2.2
354.72348	1.0
363.08563	1.3
381.09787	2.2
407.07718	67.0
408.08118	8.2
423.10901	15.1
425.08798	59.0
426.09106	6.6
448.07645	1.2
449.08804	12.0
451.10333	17.3
451.16309	0.6
452.10706	3.3
467.09564	1.6
489.10638	0.9
559.12799	2.1
577.13586	26.0
578.13928	6.2
640.19647	1.1
641.15350	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	639.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69417	0.9
63.46734	0.8
66.84921	0.8
70.98721	0.7
71.19205	1.4
75.35364	0.9
80.14677	0.7
81.03463	3.8
99.08167	1.0
101.06079	0.7
111.04532	3.3
123.04455	0.7
123.08208	2.0
125.02458	1.8
125.06129	2.0
147.08174	1.2
151.04080	4.7
151.07701	6.0
165.09229	19.0
166.08188	0.9
166.09596	1.3
167.05765	0.7
176.65755	0.8
177.09195	1.2
180.04312	3.6
191.07141	1.5
193.08727	1.0
195.06653	21.6
196.07036	1.4
203.07147	1.6
207.06688	3.9
208.07372	1.8
209.08203	90.3
210.08514	4.6
221.08206	61.1
221.09883	0.5
222.08882	14.5
233.08182	2.5
235.09744	18.7
236.10385	4.2
248.61240	0.8
360.19458	1.0
429.26468	100.0
430.26886	13.9
443.28036	25.1
444.28217	5.3
445.91089	0.8
639.35510	17.7
640.35675	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	639.355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57011	0.7
60.70170	0.8
67.66415	0.7
68.49020	0.6
79.01899	1.6
85.06617	1.5
87.04535	0.7
95.05025	1.7
98.20636	1.7
109.06684	0.8
111.04536	3.3
121.02961	0.9
123.08173	1.6
125.02384	0.9
125.06041	0.9
139.04022	3.8
151.04033	4.7
165.01900	0.9
165.09216	17.2
166.02744	0.9
179.03516	0.9
180.04243	2.3
191.07141	1.0
195.06702	1.0
203.07111	1.2
207.06677	3.5
208.07446	1.5
209.08200	93.0
210.08563	5.9
221.08195	70.7
222.08923	16.9
233.08224	3.3
235.09782	4.3
289.34283	0.9
360.19147	1.3
429.26462	100.0
430.26810	14.5
634.28461	0.9
639.35461	23.7
640.35968	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	639.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60717	0.2
56.04240	0.2
57.03445	0.4
57.39486	0.2
66.19361	0.2
67.35165	0.2
71.72015	0.3
73.85305	0.2
79.01883	1.2
85.06590	0.9
87.04517	0.5
95.05029	2.4
97.02966	1.1
99.08146	0.2
107.05019	0.5
109.03009	0.2
109.06599	1.0
111.04530	3.4
121.02972	0.5
122.03765	0.2
123.04554	0.7
123.08187	1.8
124.55466	0.2
138.03322	0.3
139.04027	4.2
147.08168	0.8
150.06888	0.4
151.04016	4.2
152.04720	0.3
163.07680	0.3
165.01964	0.6
165.09219	18.9
166.02724	0.8
166.09570	1.1
177.01901	0.4
177.09218	0.6
179.03494	0.5
179.07126	0.2
180.04263	1.8
191.07162	1.4
193.05072	0.2
193.08804	1.0
193.12163	0.2
203.07156	1.4
207.06664	2.7
208.07397	1.5
209.08192	100.0
210.08540	6.8
210.10141	0.1
210.10640	0.2
221.08186	51.3
222.08894	12.2
223.09253	0.5
233.08157	1.6
234.08740	0.4
235.09654	1.8
235.17012	0.4
247.09839	0.4
287.12790	0.2
289.14474	0.2
317.13861	0.3
334.24017	0.2
345.17099	0.3
359.18552	0.4
359.22525	0.4
360.19296	0.9
361.20163	0.2
385.27573	0.7
429.26447	65.1
430.26794	10.3
430.32727	0.4
639.35486	8.5
640.35693	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46133	0.3
55.01873	0.4
57.03448	1.5
58.00594	0.4
58.09060	0.3
59.01380	8.2
61.98833	10.6
69.40538	3.9
72.99303	0.7
73.02950	1.0
75.17709	0.3
78.95900	0.4
81.03455	0.7
83.01407	0.8
83.05020	2.1
84.63373	0.3
85.02952	2.3
87.00882	0.8
87.41376	0.3
88.98824	0.5
89.02466	4.3
93.03432	0.4
94.65456	0.4
95.01378	0.7
95.05041	0.6
95.31519	0.3
97.02956	0.5
97.06602	0.7
98.20663	0.7
99.08167	0.6
101.02460	4.2
101.06054	0.4
105.05943	0.4
107.05032	0.7
109.02975	0.6
109.06626	0.4
111.04557	0.4
113.02450	1.9
119.03516	0.7
121.88654	0.4
123.04535	0.8
123.08181	0.4
125.02498	0.8
125.06116	5.0
125.09779	1.6
126.06460	0.3
135.08125	0.5
137.09734	0.9
138.03284	0.4
151.04037	5.4
161.02402	0.3
161.04582	0.9
163.11305	2.1
165.05495	0.8
165.12877	1.5
166.02737	0.9
167.53593	0.3
167.99132	0.3
171.06396	0.3
171.10287	2.9
177.01939	1.0
179.03502	1.1
180.04257	2.5
183.13889	2.9
191.05693	1.2
191.10840	1.1
193.05138	0.6
193.12364	0.7
195.10283	0.4
197.11885	1.2
205.12361	0.7
207.06650	0.7
207.10280	0.8
209.11844	48.5
210.12166	3.4
211.13406	41.0
212.13736	3.1
214.13136	0.5
217.08696	1.9
221.08206	5.1
222.08968	2.0
223.09708	1.3
223.13342	0.6
231.64471	0.4
233.08302	0.5
233.15468	1.4
235.09775	58.3
236.10341	9.8
247.09825	0.6
249.11301	6.2
249.15054	2.0
250.11662	0.6
253.09222	3.7
278.18600	0.4
291.15997	0.7
300.02182	0.4
305.17776	0.4
308.16293	0.4
315.16107	1.1
328.64511	0.4
333.17050	4.5
334.17599	0.6
335.18701	2.8
341.24466	0.4
349.20236	0.7
375.21503	2.3
376.22098	0.5
385.23578	1.8
392.22021	1.8
393.22665	0.6
403.24744	2.0
415.28564	0.4
421.25790	0.5
429.20932	0.5
445.20895	1.1
447.07260	1.5
447.22437	2.2
459.27539	7.6
460.27832	1.7
461.29196	3.2
477.28851	0.4
542.57904	0.4
555.28625	0.4
570.27557	0.4
620.85022	0.4
621.32471	10.5
622.33105	1.3
634.13306	0.4
639.33978	100.0
640.34290	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	639.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03441	2.2
58.00593	0.4
59.01379	11.0
61.98830	7.8
65.03954	1.2
70.17115	0.8
70.17513	0.9
71.01388	9.4
72.99315	1.3
73.02944	2.1
77.85384	0.4
81.03435	1.1
83.01397	1.4
83.05018	2.4
85.02966	2.8
85.06611	0.8
87.00877	3.0
87.04485	0.6
88.98808	1.2
89.02453	5.5
93.03460	0.9
95.01382	1.2
95.05039	0.6
97.02969	1.1
97.06608	1.5
97.74840	0.4
99.00895	0.6
99.08160	0.6
101.02465	7.4
101.03092	0.8
101.06110	0.7
105.07089	0.4
107.05019	0.8
109.06580	0.9
111.04538	0.8
111.08174	1.2
113.02460	3.7
115.51841	0.3
119.03526	1.3
119.05080	0.6
119.08646	0.4
121.06636	0.6
123.04522	1.0
123.08153	1.2
125.02473	0.7
125.06104	4.7
125.09746	6.3
127.11281	0.4
133.05011	0.4
133.06606	0.8
135.04533	0.6
135.08246	0.6
137.09756	0.9
143.03545	0.6
145.05103	1.8
145.58116	0.4
151.04013	2.5
161.04584	1.4
163.03961	0.5
163.11299	1.1
165.05580	1.3
168.03714	0.4
171.10297	18.7
172.10605	0.7
179.03526	0.9
179.05666	0.5
180.04320	1.0
185.11882	0.9
187.09665	0.7
191.05618	1.3
191.10837	0.5
193.12352	1.1
201.12888	0.6
203.14561	0.4
205.12383	1.5
205.15955	1.2
207.06772	0.5
207.10353	0.7
207.13950	0.7
209.11870	10.8
210.12183	0.7
211.13425	10.7
212.13768	0.5
215.14412	4.8
216.14723	0.4
217.08745	0.7
221.08228	4.3
221.15494	0.9
222.08940	1.9
223.09784	0.9
230.01582	0.4
231.10208	0.6
231.13887	2.1
233.15480	14.5
234.15852	1.5
235.09866	28.4
236.10294	4.4
247.16878	0.7
249.11336	22.7
249.14972	8.6
250.11655	1.0
250.15326	1.2
251.16600	0.6
253.09282	1.9
258.08914	0.4
261.18750	0.5
303.16003	0.8
305.14426	0.6
305.17380	2.1
317.17279	0.6
319.19226	1.4
323.23779	0.7
331.26474	1.1
333.16998	2.2
339.23569	0.5
341.24698	2.1
357.24545	0.8
359.25949	1.0
367.22873	1.4
373.20316	0.4
374.20850	0.7
375.21710	3.8
375.25604	1.6
376.21915	0.9
385.23865	9.6
385.28848	0.5
386.24207	1.4
393.26572	0.6
403.24918	15.3
404.25314	1.8
405.17532	0.6
407.19421	0.6
421.25964	4.2
422.26257	0.8
447.07303	1.3
447.22559	0.6
459.27585	10.2
460.28006	2.1
467.23074	0.5
485.23825	0.9
540.35297	0.4
585.89508	0.5
611.34381	0.8
621.32959	41.3
622.33240	9.1
639.33997	100.0
640.34344	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70329	0.3
55.06206	0.3
57.03436	0.7
59.01377	5.9
61.98836	2.3
68.99825	0.4
71.18181	0.7
72.99321	0.4
73.02937	0.7
74.24096	0.3
75.00875	0.5
79.01895	2.7
83.01370	0.7
85.02962	1.6
85.06583	0.3
87.00863	1.0
87.04526	1.0
89.02448	2.7
95.01405	0.5
101.02438	3.0
103.00372	0.7
107.05044	0.6
109.02981	0.7
111.04529	12.0
112.04849	0.4
113.02440	1.2
119.03496	0.9
121.06572	0.5
123.04527	0.8
123.08182	0.5
125.02460	1.4
132.11684	0.3
137.02438	0.7
139.04001	0.6
145.06618	2.8
146.06874	0.3
151.04027	3.8
161.04555	0.7
163.04044	0.7
165.02058	0.3
165.05615	0.5
165.09207	0.7
177.01910	0.5
179.03479	0.6
179.05592	0.3
181.05060	0.5
191.03520	0.4
191.05608	1.1
191.10760	0.5
193.05038	0.4
193.08737	0.5
203.07115	0.7
205.04993	1.1
205.08801	0.4
206.05824	0.9
207.06635	3.5
208.07315	0.8
209.08176	1.0
209.11760	0.7
219.06670	7.2
220.07315	1.8
221.08197	9.7
222.08884	1.9
231.06647	1.1
233.08189	9.8
234.08626	0.9
235.09787	2.0
245.08267	1.5
245.15324	0.4
246.08809	0.3
247.09740	0.9
249.11395	0.6
252.06325	0.8
259.09827	0.5
259.13614	0.3
261.11380	0.4
263.09210	3.2
273.11307	3.2
274.11520	0.5
275.09271	0.5
277.10831	4.7
278.11261	0.4
287.12906	2.2
288.13696	6.1
289.10913	0.4
289.14197	1.5
290.11444	0.5
295.02191	0.4
303.16071	1.4
305.13959	1.3
315.12411	1.0
317.13760	0.6
333.13297	0.8
343.19028	1.0
349.12775	0.6
355.22238	0.3
359.18622	6.8
360.18909	0.8
375.18130	2.7
376.18521	0.6
377.15540	0.4
377.19687	4.2
378.20050	0.6
392.18732	0.4
447.07169	1.0
448.06976	0.5
451.19934	0.4
459.23657	0.9
467.19357	0.7
472.33755	0.3
477.30908	0.4
495.18677	2.0
521.23926	0.4
523.21484	1.8
538.24139	0.7
639.30310	100.0
640.30682	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	639.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83091	0.3
52.99797	0.2
53.92751	0.3
55.85667	0.3
59.01389	0.6
69.89216	1.9
71.01389	0.8
72.77323	0.3
74.90042	0.3
84.09155	0.3
85.02956	3.8
87.00902	0.7
93.03461	1.4
98.20674	0.3
111.04536	0.6
115.00357	0.3
119.05043	36.1
120.05393	1.6
120.99670	100.0
121.38346	0.3
122.00074	1.4
122.99268	0.3
127.04037	0.8
133.02974	0.8
135.04543	0.6
161.02478	0.8
163.04025	7.3
167.03574	1.6
168.03873	0.4
173.04617	0.8
179.03522	0.6
191.05626	62.6
192.05977	2.9
285.04373	9.4
286.04944	0.6
304.94937	0.3
345.19830	0.3
353.08759	9.5
354.09018	0.7
447.06964	0.5
468.72681	0.3
583.13361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1209
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03450	0.8
58.00597	0.3
59.01381	3.7
62.46131	0.2
63.02402	2.4
65.00327	3.9
67.01890	0.5
68.99829	0.2
69.03477	0.4
70.06081	0.2
71.01376	6.8
71.71591	0.3
72.99306	0.5
73.02958	0.3
75.00871	1.1
81.03446	0.3
83.01400	3.1
85.02963	4.7
87.00880	1.8
89.02480	0.4
93.03474	4.5
95.01400	1.5
96.95998	0.4
99.00893	1.4
103.00410	1.3
107.01405	10.6
108.02213	0.5
109.02955	1.2
111.04531	0.4
113.02460	5.5
115.00377	0.5
117.02026	0.4
121.02966	8.2
122.03345	0.3
123.04578	0.6
125.02477	1.1
129.01979	0.5
133.03024	0.4
134.03766	1.0
135.00955	0.3
138.96783	0.2
139.04103	0.3
148.01709	0.3
148.92262	0.2
149.02455	1.3
149.88358	0.2
150.03214	0.4
151.00391	44.4
152.00703	1.7
159.04556	0.4
161.02422	0.6
163.00409	1.1
163.04024	0.4
164.01126	0.8
164.07239	0.4
166.02753	0.3
169.01462	2.3
173.02470	0.3
173.04651	1.2
175.02499	4.3
175.04042	0.9
175.67267	0.3
177.01875	0.4
178.99879	20.4
180.00246	1.0
181.05052	0.6
183.04585	0.3
185.06081	0.3
187.04007	0.7
191.05626	16.3
192.05963	0.7
193.01486	0.8
193.05069	0.9
199.04004	0.8
203.03560	0.4
205.04993	0.4
211.04013	1.0
215.03537	0.4
217.05109	0.4
227.03549	0.8
228.04178	0.3
229.05124	1.0
243.02998	2.6
245.04453	1.2
255.02975	1.9
256.03726	0.4
257.04492	0.4
259.02542	0.5
261.04016	3.5
267.02972	0.3
271.02432	2.1
272.03241	0.5
273.04025	2.7
283.02432	0.6
285.04037	0.5
289.07343	0.4
295.02524	1.4
296.03192	1.2
299.01999	0.4
300.02756	9.4
301.03537	100.0
302.03906	8.8
303.05060	0.3
315.01617	0.3
343.16324	0.3
367.10345	6.0
368.10449	0.5
423.09018	0.4
435.09598	0.4
447.07184	5.2
448.07419	1.1
459.05865	0.7
463.08798	17.6
464.09061	2.3
477.06628	23.7
478.06989	3.4
639.12146	18.4
640.12213	3.4
640.21735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88880	0.1
52.00370	0.1
57.03447	0.2
59.01363	0.6
61.98832	100.0
62.98534	0.2
71.01398	0.5
71.71914	0.2
73.02956	0.2
73.69598	0.1
75.00867	0.3
81.03487	0.1
83.01394	0.2
85.02967	0.3
89.02473	0.4
93.03511	0.2
96.08856	0.1
97.03013	0.1
99.00925	0.2
101.02498	0.2
109.02972	0.7
113.02498	0.2
121.03007	0.3
123.04588	0.5
125.02466	2.7
125.03411	0.2
135.04527	0.2
137.02483	0.7
139.04086	0.1
147.00893	0.2
149.02492	0.4
151.04073	0.4
159.04483	0.2
161.02441	0.8
161.06131	0.2
162.03262	0.1
163.00423	1.1
164.01169	0.3
165.01973	0.7
171.04518	0.2
174.03337	0.2
175.04095	0.6
176.01221	0.4
177.01917	0.5
179.03532	0.2
185.06105	0.2
187.04079	0.3
189.02019	0.2
189.05586	0.1
191.05614	1.8
192.05919	0.2
199.04076	0.3
203.03551	0.2
203.07137	0.2
205.01578	0.1
205.05058	0.1
213.05688	0.2
217.05106	0.5
229.05078	0.2
241.05103	0.3
243.03070	0.4
243.06448	0.1
245.08272	0.4
255.03087	0.3
256.03723	0.2
257.04645	0.3
258.05130	0.1
269.04465	0.2
281.04617	0.1
283.02551	0.2
283.05945	0.1
285.04031	3.6
286.04437	0.3
287.05716	0.2
289.07156	2.6
290.07538	0.2
295.02457	0.2
297.04187	0.4
307.06311	0.4
309.04196	0.3
313.03641	0.2
327.05234	0.2
341.06995	0.3
387.04999	0.1
407.07834	0.9
408.07846	0.1
411.07690	0.2
421.09485	0.2
423.07233	3.3
424.07715	0.4
435.07043	0.2
447.07056	0.9
449.08716	2.3
450.09134	0.4
452.07431	0.8
453.08533	0.3
471.11487	0.2
521.08044	0.1
539.09821	0.9
557.11157	0.2
575.12000	5.2
576.12183	1.0
595.10974	0.2
637.28131	0.5
638.27887	0.4
639.29962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20570	0.3
55.01873	0.7
57.03444	1.2
58.00584	0.5
59.01378	13.9
60.14859	0.4
61.98833	4.1
65.03962	2.7
68.99810	0.3
69.03450	1.7
71.01385	13.6
71.05001	0.6
72.99313	1.4
73.02954	2.6
81.03458	0.9
83.01397	1.7
83.05031	1.6
85.02959	4.1
86.00093	0.4
87.00875	3.8
89.02459	5.6
91.05540	1.2
93.03474	0.9
95.01396	1.0
95.05041	1.3
97.02957	0.9
97.06618	2.1
99.00883	0.6
99.04556	0.4
101.02458	8.3
105.07162	0.9
107.05052	0.8
109.02931	0.3
109.06580	2.3
111.00903	0.6
111.04530	0.6
111.08167	0.8
113.02467	4.5
115.05555	1.8
117.07125	0.6
119.03492	1.5
119.05013	0.7
121.06615	0.6
123.08171	1.5
125.02470	0.5
125.06100	4.2
125.09739	9.9
126.10046	0.7
127.07648	0.5
131.05052	0.5
132.05774	0.5
133.06627	0.5
133.10223	0.8
135.08189	2.0
137.09683	0.7
139.07671	0.5
145.05093	1.9
149.09628	0.4
151.03961	0.5
153.09273	0.4
157.10219	0.7
159.11781	0.6
161.04590	1.9
163.11327	1.3
165.09230	0.4
165.12906	0.5
171.10251	2.4
175.11267	0.5
179.05658	0.8
181.12343	0.7
185.10045	0.5
185.11848	3.7
185.13307	0.5
187.09711	1.6
187.14937	4.3
189.12924	0.7
191.10770	1.1
195.11911	0.7
197.11821	0.6
201.12880	0.7
203.14461	0.4
205.12347	1.3
205.15831	0.4
207.10272	2.3
209.11841	12.0
211.11627	0.4
211.13394	2.0
213.12877	6.0
214.13217	0.9
215.10831	0.9
217.12280	0.4
221.15411	0.8
223.13396	0.5
225.11337	0.8
227.14607	0.4
231.13919	13.0
232.14268	1.0
233.11816	2.6
235.08037	2.7
235.13394	1.0
247.13426	1.1
249.11292	0.4
249.14928	2.4
253.09334	1.8
257.11685	0.4
261.15030	0.9
273.15024	0.4
289.14505	0.5
311.23947	0.5
321.22354	0.4
329.24847	0.9
331.19086	0.7
334.77408	0.4
337.21463	0.5
339.23343	2.9
340.23752	0.4
349.20020	0.4
355.22888	1.3
357.24460	1.6
365.21182	1.8
373.23975	2.1
373.64426	0.4
383.22293	12.8
384.22617	1.5
391.24908	1.3
401.23340	13.6
402.23663	1.8
405.17697	0.5
419.24451	3.4
420.24490	0.5
425.00507	0.3
457.25955	1.0
459.27515	0.6
463.85495	0.4
475.27026	0.6
511.25626	2.6
513.08118	0.4
567.27863	0.4
609.32965	1.0
619.31354	100.0
620.31720	20.9
637.32416	35.1
638.32721	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29961	0.3
55.01870	0.3
57.03440	1.1
59.01379	9.1
61.98835	6.4
68.99818	0.7
71.01389	7.0
72.72831	0.3
72.99322	0.7
73.02948	1.0
78.95918	1.4
79.01897	4.5
81.03436	0.3
83.01408	0.9
85.02973	2.1
86.92371	0.3
87.00859	0.4
88.98809	2.0
89.02464	4.5
90.59004	0.3
93.03465	0.5
95.01412	0.7
96.96008	0.4
96.96941	0.4
97.02956	1.5
99.08152	0.4
101.02464	3.5
109.02968	0.8
111.04559	0.7
113.02473	2.3
116.92899	0.4
118.80594	0.3
119.03516	1.9
121.03025	0.4
121.06629	0.7
123.04564	1.9
124.01676	0.5
125.02451	0.6
125.06099	8.6
126.06409	0.3
128.90187	0.3
135.04553	0.9
137.02460	0.6
137.09715	0.4
149.02394	0.4
150.03214	0.9
151.00362	0.3
151.03999	1.3
152.04839	0.8
161.04607	0.3
161.06050	0.3
165.01840	0.4
165.05597	0.9
171.10268	0.3
176.72250	0.3
177.01904	0.9
178.02750	0.6
179.03587	0.7
179.05673	0.5
179.07190	0.7
180.04320	0.8
180.07826	0.5
181.08720	0.3
188.08574	0.3
191.05652	0.7
193.05128	0.7
193.12267	0.3
203.03391	0.3
205.05048	0.9
205.12384	0.3
206.09532	0.5
207.06647	0.8
207.10298	0.6
208.07433	0.4
209.08185	0.6
209.11836	4.7
210.12172	0.4
211.13370	0.4
212.06979	1.0
216.07690	0.3
219.06644	7.2
219.10283	0.3
220.07074	1.1
221.04761	0.3
221.08208	0.8
223.09898	0.4
233.08203	5.6
234.08963	3.6
235.09825	2.4
236.10527	0.8
245.08136	0.6
247.09743	5.7
248.09894	0.5
249.11348	0.8
253.04915	0.6
253.09070	0.6
259.09702	0.5
266.07968	3.2
268.07394	1.3
273.11295	0.6
275.12924	0.5
277.10840	10.1
278.11197	1.0
283.09811	1.4
289.14389	2.6
291.16052	0.4
305.14044	1.1
306.14764	0.7
307.15576	0.5
307.18945	0.3
313.14368	0.9
331.15524	8.2
332.15942	1.1
333.13425	3.5
333.16995	0.5
333.20529	0.4
334.14261	2.4
343.08334	0.5
357.17096	0.6
366.13211	0.4
373.20105	2.8
374.20697	0.4
375.18225	3.9
376.18619	0.5
383.11380	0.3
390.20529	0.8
401.23447	0.9
437.04324	0.4
439.19559	0.4
445.05502	0.7
457.20544	0.6
457.26132	7.0
457.32248	0.2
458.26450	0.9
459.27567	2.5
475.22922	0.4
526.12463	0.3
575.17395	0.4
593.29944	1.1
619.32031	0.5
637.32428	100.0
638.32794	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03447	1.0
59.01378	6.3
61.98832	5.0
68.99817	0.5
71.01389	4.8
71.71851	0.4
72.99320	0.8
73.02953	0.5
74.86214	0.3
79.01897	4.4
79.23873	0.3
81.03467	0.5
83.01403	0.5
83.05044	0.5
85.02963	1.5
87.00867	0.4
88.98817	0.8
89.02454	3.4
93.74082	0.3
95.01403	0.5
97.06590	0.4
101.02473	2.7
101.06103	0.4
108.93755	0.3
109.02997	0.5
109.06619	0.6
111.00843	0.5
111.04549	0.7
113.02454	1.5
116.92903	0.4
119.03500	0.9
121.06615	0.5
123.04510	0.5
124.01618	0.4
125.02452	0.6
125.05202	0.6
125.06105	8.7
125.09716	0.5
150.03261	0.4
151.00371	0.4
151.04025	1.3
152.04810	0.7
163.11319	0.5
165.05609	0.7
166.02763	0.4
177.02019	0.3
178.02757	0.4
179.03488	0.7
179.07280	0.3
180.04297	1.2
191.10815	0.4
193.08716	0.5
195.06746	0.4
205.05032	0.6
205.12349	0.4
206.09435	0.3
207.06587	0.5
207.10242	0.7
209.08492	0.5
209.11839	11.5
210.12245	0.7
212.06918	0.7
213.14973	1.0
219.06641	6.8
219.10075	0.6
220.07269	0.8
221.04512	0.6
221.08179	1.0
222.08827	0.8
223.09717	0.4
233.08179	6.1
234.08949	3.5
235.09782	3.1
236.10451	1.2
245.08058	0.4
247.09734	5.7
247.13623	0.4
248.10243	0.4
249.11340	1.0
253.09227	0.5
259.09845	0.5
266.07922	2.6
273.11276	0.5
275.09421	0.4
275.12790	0.5
277.10803	9.2
278.11160	0.9
287.13153	0.4
289.11478	0.5
289.14349	2.3
291.12170	0.3
305.14035	0.6
306.14685	0.3
313.14435	0.7
317.13965	0.5
319.11920	0.5
319.15335	0.4
331.15488	8.4
332.15909	1.1
333.13422	3.1
333.17020	0.8
334.14163	1.5
345.20566	0.4
366.13077	0.6
373.20105	1.8
375.18048	3.4
376.18665	0.9
390.20566	1.2
391.25430	0.3
401.23056	1.4
419.24213	0.7
445.05750	0.6
457.20712	1.6
457.26212	1.3
459.27560	2.5
542.09467	0.3
575.21460	0.9
618.44891	0.4
619.31616	0.9
637.32404	100.0
638.32745	19.1
638.43829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03295	0.3
51.77861	0.3
55.01875	0.5
57.03439	1.5
58.00571	0.6
59.01382	8.8
61.98831	7.3
68.99792	0.6
71.01390	6.1
71.71868	0.8
72.99293	0.9
73.02967	0.8
75.00909	0.3
78.95924	1.8
79.01904	4.0
83.01376	0.8
83.05028	0.7
85.02944	1.6
87.00873	0.4
88.98819	2.1
89.02458	4.6
95.01418	0.9
95.74817	0.3
97.02947	1.3
97.06585	0.3
101.02450	4.1
105.58199	0.3
109.02975	0.8
111.00822	0.3
111.04527	0.6
113.02448	2.1
116.92871	0.3
119.03526	1.6
121.06617	0.5
123.04539	0.9
124.01753	0.4
125.02454	1.0
125.06105	7.4
127.07667	0.6
128.90199	0.4
129.43666	0.3
135.04552	0.8
135.74393	0.3
137.02467	0.5
137.06148	0.4
137.09749	0.7
139.04030	0.5
150.03207	1.0
151.00304	0.7
151.04012	1.1
152.04753	0.5
165.05569	0.7
166.02693	0.5
171.00685	0.3
177.01884	1.0
178.02713	0.7
179.03500	0.7
179.05705	0.4
180.04309	1.2
180.07928	0.6
191.03596	0.5
191.05623	0.9
191.10677	0.6
193.05096	0.7
205.05069	0.8
205.12311	0.7
207.06599	0.9
207.10329	0.8
208.07324	0.6
209.08231	0.5
209.11804	3.7
210.01666	0.4
210.12245	0.4
212.06836	0.8
217.05119	0.4
219.06635	6.0
219.10040	0.4
220.07210	0.9
221.04584	0.5
221.08101	1.1
233.08192	5.5
234.08926	3.4
235.04272	0.3
235.09807	3.1
236.10452	1.2
240.92178	0.3
243.13911	0.4
247.09776	5.6
247.12578	0.4
247.13397	0.4
249.11275	1.0
253.05045	0.7
253.09453	0.7
261.14948	0.5
266.07916	2.2
268.07410	1.5
273.11374	0.4
275.12915	0.6
277.10812	9.5
278.11148	0.5
283.09784	2.1
289.14453	2.2
291.15881	0.6
299.01791	0.6
305.14008	0.7
306.14621	1.0
313.14355	0.7
317.14087	0.6
331.15527	8.2
331.19431	0.7
332.15927	1.2
333.13434	3.1
333.16959	0.7
334.14127	2.2
341.23404	0.5
343.08240	0.6
346.05557	0.5
366.13080	0.6
373.20154	2.6
375.18121	4.1
376.18518	0.6
383.22299	0.6
390.20407	1.0
391.20834	0.4
401.23318	0.8
419.24554	0.6
439.24664	0.4
445.05231	0.5
457.26172	4.3
458.26526	0.8
459.27545	2.5
593.29755	1.0
619.30841	0.4
637.32416	100.0
638.32806	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	637.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01385	0.5
61.98829	0.2
65.00346	0.7
65.24159	0.3
67.01896	0.3
70.15905	1.3
71.01389	11.9
72.01731	0.4
73.02944	0.3
74.01674	0.3
75.00871	0.2
85.02948	3.1
87.00898	0.8
88.02379	0.2
91.01900	3.9
93.03474	2.0
95.01468	0.3
96.97034	0.2
98.11856	0.2
98.20650	0.2
108.02190	3.7
109.03001	0.7
111.00906	0.6
111.04492	0.3
115.00391	7.6
116.00704	0.3
119.05064	1.1
123.00883	0.4
123.04543	21.4
124.01710	0.4
124.04875	1.0
127.04058	1.0
133.01465	0.6
133.03006	0.5
135.04564	2.2
137.02390	0.3
151.07755	0.2
152.01186	5.8
161.02431	1.2
163.04042	1.3
167.03519	100.0
168.03868	5.5
173.04570	1.5
179.03531	2.2
191.05627	54.7
192.05933	2.4
279.29446	0.3
283.04584	10.7
283.07709	0.6
284.04922	0.9
337.09485	0.4
353.08789	11.9
354.09009	1.5
360.42886	0.2
457.82156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98825	0.8
71.01369	0.4
71.72478	0.2
73.02954	3.2
75.00877	0.1
79.99453	0.1
85.02972	0.2
89.02457	0.4
99.00894	0.6
99.92600	10.5
100.92625	0.5
101.02464	0.3
109.03007	0.1
111.04506	0.2
113.02460	0.1
114.93431	0.4
116.92879	100.0
117.01955	7.6
117.02812	0.3
117.92886	5.9
118.02327	0.2
118.08011	0.1
125.02471	0.2
151.00372	0.2
155.28412	0.1
167.56644	0.1
171.00529	0.2
175.04030	0.3
191.05659	0.5
197.11807	0.2
199.04085	0.2
203.03485	0.2
243.02971	1.0
253.14578	0.2
261.04050	1.2
283.02402	0.3
327.09088	0.2
367.57928	0.1
398.75748	0.1
417.08200	0.2
420.49637	0.1
463.20456	0.1
477.10486	0.4
519.11511	0.8
593.18579	0.2
636.33044	0.2
636.43683	0.2
637.28876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03452	5.6
59.01385	7.0
59.32679	0.3
59.95971	0.4
60.99296	0.5
61.98831	11.6
69.03459	1.2
71.01383	7.3
72.99321	0.6
73.02958	1.6
80.02679	1.3
81.03466	1.1
83.01387	1.2
83.05025	4.7
85.02951	2.0
87.00882	1.7
88.98813	3.1
89.02446	4.5
95.01377	1.1
95.05045	2.0
96.96024	0.5
97.02946	0.8
97.06602	13.4
98.06923	0.4
99.00894	0.8
99.04527	0.4
99.57357	0.4
101.02470	4.9
109.02962	1.5
109.06622	0.6
113.02441	2.9
116.92889	0.7
117.77544	0.4
119.03484	1.3
123.04541	0.9
123.08176	7.1
125.02465	4.9
125.09741	95.6
126.10088	4.2
133.02896	0.6
133.05081	0.4
137.02446	1.5
137.90402	0.5
143.10808	0.7
145.05064	0.6
151.00310	0.9
151.04004	1.1
154.43295	0.4
161.02451	1.1
161.04573	1.2
161.05853	0.4
163.11290	2.9
163.91899	0.4
165.01849	0.5
165.12872	1.5
169.08734	1.5
171.10291	4.4
172.10477	0.5
177.01913	0.9
179.05598	1.0
187.09772	61.2
188.10138	2.9
189.02007	0.4
191.03717	0.5
191.05614	1.3
191.10783	0.8
199.13437	0.5
201.11285	0.7
207.10301	1.4
209.11839	50.9
210.12143	3.6
211.09753	0.5
211.13326	0.7
225.11285	1.3
227.12946	6.0
229.14474	0.4
235.08295	1.8
239.07306	0.6
243.12395	0.7
245.08195	0.9
253.09277	3.9
253.94151	0.4
261.13394	0.7
271.02521	0.5
283.02481	0.6
289.07132	1.8
307.02069	0.4
327.08630	1.1
341.06744	1.0
405.17673	5.5
423.18753	12.6
424.19104	1.7
453.24939	0.5
471.25940	1.3
489.14026	1.0
490.14456	0.5
519.03229	0.4
615.30322	7.1
616.30688	0.9
633.31390	100.0
634.31781	21.9
634.41223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
62.47570	0.5
68.99821	1.1
69.39790	6.4
79.05565	1.1
85.06616	0.7
88.06405	0.6
93.07154	0.9
97.06593	1.2
99.08188	0.9
111.04545	9.9
112.04958	0.6
113.06104	6.0
122.03808	0.6
123.04552	0.7
123.08183	2.2
123.12144	0.5
125.06109	2.4
125.09701	1.3
137.09860	0.5
151.03955	1.1
165.09192	0.7
187.11310	0.8
193.08716	1.3
203.07201	0.6
208.07442	1.0
209.08258	0.6
219.06683	0.9
220.07367	0.8
221.08200	11.4
222.08887	2.2
223.09689	0.7
231.10233	2.0
233.08191	11.4
233.11856	2.1
234.08669	0.9
235.09816	2.8
247.09689	1.8
247.13350	0.8
255.14055	0.8
257.15460	2.3
261.11414	0.9
273.11395	0.8
273.15155	1.0
283.13379	0.8
287.12943	1.1
288.13794	3.6
289.14417	9.4
290.15063	1.7
291.16022	1.3
301.14462	12.4
302.14893	1.3
313.21680	0.9
331.19067	1.4
357.20755	9.2
357.24728	0.8
358.21191	2.4
359.18649	65.5
360.18988	8.4
371.22308	3.6
373.20447	0.6
375.18048	1.8
389.19754	1.3
390.20001	0.6
429.22781	2.1
443.24478	12.1
444.24789	2.9
445.25580	1.1
457.25870	1.7
458.26764	0.7
459.27628	0.6
461.25067	0.8
476.23837	0.7
530.86493	0.7
587.44885	1.9
631.43799	100.0
632.44116	27.7
632.54706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.5
57.03441	0.7
59.21931	0.4
61.98835	0.8
69.60994	3.0
72.91697	0.4
75.39084	0.4
77.54858	0.3
79.05544	0.8
83.05020	0.5
85.06589	0.6
87.04546	0.4
87.54424	0.3
88.58920	0.4
92.25029	0.4
94.56763	0.3
97.02927	0.5
97.06592	0.7
105.07056	0.4
109.02965	0.5
109.06645	1.0
111.04533	9.1
111.08144	0.4
113.06097	1.5
117.74029	0.4
119.08670	0.5
121.06603	0.8
123.04568	0.8
123.08175	5.4
125.06118	2.9
125.09812	0.4
127.07663	1.4
137.06129	0.5
137.09755	1.6
138.03307	0.4
139.82158	0.4
149.09741	0.5
151.04037	1.4
151.07658	0.5
163.11308	0.4
164.08411	0.5
165.05571	0.8
165.09196	0.9
166.02777	0.8
167.07155	1.6
175.11247	0.4
177.01993	0.4
177.09183	0.4
179.03360	0.4
179.10828	0.6
187.11278	1.0
189.09154	0.7
191.03549	0.6
191.07108	0.4
191.10843	1.0
193.08725	1.1
193.12395	0.9
203.07202	0.4
203.10741	0.7
207.06555	0.8
207.13919	1.2
208.07379	1.9
209.08177	3.4
217.08725	0.4
219.06607	1.8
220.07434	0.6
221.08195	13.3
222.08772	2.4
231.10298	1.4
233.08176	13.0
233.11795	0.8
234.08647	1.4
235.09750	7.0
235.13501	1.0
236.10292	0.8
245.15504	0.8
247.09795	2.8
248.10327	0.5
249.11307	3.9
249.15030	0.9
250.11922	0.5
255.13762	0.6
257.08093	0.5
257.15479	2.3
261.07990	0.5
261.11063	0.7
273.11395	1.0
273.14929	0.9
275.12973	0.8
279.12363	16.0
280.12775	1.5
283.13504	0.6
287.12848	1.2
288.13681	4.3
289.14389	10.4
290.15036	2.4
293.13943	20.4
294.14304	2.1
299.13110	0.5
301.11014	0.8
301.14447	11.0
301.17719	0.7
302.14838	1.3
303.12488	0.8
303.16031	2.3
305.14075	0.7
313.21716	1.0
315.12430	0.6
315.19696	0.8
317.13898	1.2
317.17648	1.4
319.15521	0.6
327.22964	0.6
331.19135	0.4
331.31714	0.4
341.17444	0.7
343.18915	0.6
347.18750	0.4
350.17349	0.4
357.20740	9.8
358.21069	2.5
359.18640	52.9
360.19019	7.5
361.20111	1.0
371.18167	2.5
371.22693	2.8
373.19888	0.5
375.17978	1.5
385.20190	5.7
386.20593	0.6
389.19650	2.2
415.59235	0.4
429.22852	4.5
430.23236	0.7
443.24219	3.5
444.25232	0.5
445.25800	2.8
457.25562	0.6
459.27591	3.3
496.36606	0.5
517.24274	0.4
561.35742	0.6
585.41589	0.6
587.44501	0.8
588.44849	0.5
614.61627	0.4
631.43787	100.0
632.44080	26.4
658.32251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37931	0.3
52.91348	0.3
57.03452	1.8
69.02184	0.3
69.03468	0.5
69.41908	2.6
78.95526	0.3
79.01894	0.3
79.05536	0.9
83.05053	0.3
85.06593	2.4
87.04553	0.5
97.06604	4.5
99.08151	0.8
100.08529	0.3
105.07169	0.4
105.88259	0.3
109.06612	0.6
111.04531	10.2
111.08166	3.9
112.04851	0.4
113.06125	0.7
121.03100	0.3
121.06591	0.5
123.04493	0.7
123.08186	2.0
125.06104	2.4
125.09741	1.0
127.07655	0.5
127.15453	0.3
139.07623	0.3
146.80093	0.3
149.09703	0.6
151.04027	1.3
153.09288	0.3
163.11301	0.4
165.05678	0.3
165.09247	0.7
166.02658	0.4
167.06982	0.3
175.07542	0.5
175.11246	0.3
177.09248	0.6
185.09668	0.3
187.11267	0.8
188.41512	0.3
189.09206	0.4
191.03496	0.4
191.10818	1.5
191.14456	0.4
193.08690	2.4
201.12910	0.4
203.07152	0.3
203.14445	0.6
205.12346	0.8
207.06761	0.4
207.10309	0.5
208.07388	0.8
209.08073	0.5
217.12451	0.4
219.06688	0.9
219.10275	0.3
221.08189	9.2
222.08763	1.1
222.48796	0.3
231.10269	1.5
233.08186	10.1
234.08624	0.6
235.09767	1.2
236.10416	0.4
245.11678	0.3
245.15466	0.7
247.09669	2.1
249.11205	0.3
255.13931	0.7
257.15445	2.7
261.18658	1.0
272.14273	0.3
273.11368	0.8
273.14987	1.0
273.18552	0.7
274.11993	0.3
275.12976	0.4
275.16473	0.4
275.20193	0.6
283.13376	0.8
287.12891	0.7
288.13626	3.5
289.14417	9.3
290.14859	1.0
299.12927	0.4
299.20132	0.3
300.13705	0.5
301.14471	10.6
302.14728	1.4
303.16028	0.8
305.17624	0.4
313.18369	0.3
313.21753	1.0
315.19672	0.9
317.17532	0.5
325.22006	0.3
327.19632	0.6
327.23068	0.5
331.19049	0.4
341.17511	0.6
341.21274	0.3
343.15573	0.9
343.19287	0.4
343.22812	2.3
357.20688	8.5
357.24246	0.5
358.21509	2.0
359.18634	55.3
360.18985	7.5
361.20206	0.9
369.20505	0.4
371.22418	2.4
373.20074	0.4
385.23889	2.0
399.25479	0.4
413.23401	0.5
427.23874	0.3
429.22824	42.8
430.23148	6.6
443.24380	13.2
444.24744	2.4
445.25858	3.8
446.26227	0.6
457.25909	1.0
459.27716	0.9
461.25491	0.3
585.41962	0.7
587.44958	1.2
631.43781	100.0
632.44104	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37931	0.3
52.91348	0.3
57.03452	1.8
69.02184	0.3
69.03468	0.5
69.41908	2.6
78.95526	0.3
79.01894	0.3
79.05536	0.9
83.05053	0.3
85.06593	2.4
87.04553	0.5
97.06604	4.5
99.08151	0.8
100.08529	0.3
105.07169	0.4
105.88259	0.3
109.06612	0.6
111.04531	10.2
111.08166	3.9
112.04851	0.4
113.06125	0.7
121.03100	0.3
121.06591	0.5
123.04493	0.7
123.08186	2.0
125.06104	2.4
125.09741	1.0
127.07655	0.5
127.15453	0.3
139.07623	0.3
146.80093	0.3
149.09703	0.6
151.04027	1.3
153.09288	0.3
163.11301	0.4
165.05678	0.3
165.09247	0.7
166.02658	0.4
167.06982	0.3
175.07542	0.5
175.11246	0.3
177.09248	0.6
185.09668	0.3
187.11267	0.8
188.41512	0.3
189.09206	0.4
191.03496	0.4
191.10818	1.5
191.14456	0.4
193.08690	2.4
201.12910	0.4
203.07152	0.3
203.14445	0.6
205.12346	0.8
207.06761	0.4
207.10309	0.5
208.07388	0.8
209.08073	0.5
217.12451	0.4
219.06688	0.9
219.10275	0.3
221.08189	9.2
222.08763	1.1
222.48796	0.3
231.10269	1.5
233.08186	10.1
234.08624	0.6
235.09767	1.2
236.10416	0.4
245.11678	0.3
245.15466	0.7
247.09669	2.1
249.11205	0.3
255.13931	0.7
257.15445	2.7
261.18658	1.0
272.14273	0.3
273.11368	0.8
273.14987	1.0
273.18552	0.7
274.11993	0.3
275.12976	0.4
275.16473	0.4
275.20193	0.6
283.13376	0.8
287.12891	0.7
288.13626	3.5
289.14417	9.3
290.14859	1.0
299.12927	0.4
299.20132	0.3
300.13705	0.5
301.14471	10.6
302.14728	1.4
303.16028	0.8
305.17624	0.4
313.18369	0.3
313.21753	1.0
315.19672	0.9
317.17532	0.5
325.22006	0.3
327.19632	0.6
327.23068	0.5
331.19049	0.4
341.17511	0.6
341.21274	0.3
343.15573	0.9
343.19287	0.4
343.22812	2.3
357.20688	8.5
357.24246	0.5
358.21509	2.0
359.18634	55.3
360.18985	7.5
361.20206	0.9
369.20505	0.4
371.22418	2.4
373.20074	0.4
385.23889	2.0
399.25479	0.4
413.23401	0.5
427.23874	0.3
429.22824	42.8
430.23148	6.6
443.24380	13.2
444.24744	2.4
445.25858	3.8
446.26227	0.6
457.25909	1.0
459.27716	0.9
461.25491	0.3
585.41962	0.7
587.44958	1.2
631.43781	100.0
632.44104	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
58.86096	0.4
68.99817	1.0
70.29784	1.9
79.01918	0.6
79.25700	0.5
79.76714	0.5
83.05061	1.0
85.06614	1.2
87.04525	1.4
93.03453	0.5
95.05053	0.7
107.05044	0.6
108.93206	0.4
109.02940	0.9
109.06605	1.3
111.04537	12.1
111.08187	0.6
112.04904	0.6
113.06109	2.0
119.08663	0.4
119.15525	0.4
121.06608	1.3
123.04551	1.1
123.08181	11.4
124.08531	0.5
124.54528	0.4
125.06112	3.7
127.07661	3.4
127.65633	0.4
134.23857	0.4
135.04552	0.9
135.08174	0.9
137.06149	0.7
137.09702	2.4
138.03223	0.7
141.09262	1.1
151.04030	1.9
151.07690	0.5
163.07668	0.5
164.08443	1.3
165.05591	1.6
165.09253	2.2
166.02718	1.8
166.06239	0.5
167.07169	5.3
175.07758	0.4
175.11337	0.9
177.01976	0.9
179.07205	0.5
179.10759	1.0
189.09128	0.7
191.03462	1.2
191.07208	0.8
191.10803	1.5
191.14423	0.4
193.05127	0.7
193.08672	1.0
193.12352	5.6
203.07176	0.6
203.14394	0.4
206.09438	0.5
207.06644	2.2
207.10330	0.5
207.13918	1.0
208.07347	2.6
209.08173	7.7
215.07237	0.6
217.08684	0.6
217.12367	1.4
218.09505	0.6
219.06621	3.7
221.08211	16.1
222.08920	2.5
231.06477	0.6
231.10181	1.0
233.08205	14.5
233.11737	0.9
234.08887	2.2
235.09763	23.6
235.13313	4.3
236.10275	2.8
236.13945	0.4
245.11874	0.6
247.09807	3.8
247.13319	0.8
248.10385	0.5
249.11305	3.8
257.15521	0.9
259.09830	0.8
259.17026	0.8
261.07635	0.6
261.11261	2.3
264.09821	0.6
265.10867	0.9
273.11359	1.4
274.12018	0.6
275.12823	1.1
279.12387	100.0
280.12766	7.8
280.15811	0.6
285.11411	0.6
287.09451	0.7
287.12808	1.3
288.13736	3.7
289.14435	10.5
290.15125	1.2
293.13956	19.4
294.14371	1.6
300.13528	0.6
301.10983	1.0
301.14429	7.0
302.11407	1.5
302.14682	0.8
303.12390	2.9
303.16064	8.0
304.12915	0.8
304.16333	1.1
305.13959	0.8
305.17572	0.7
313.21887	0.9
315.19427	0.6
317.14157	1.0
317.17654	1.2
319.15598	0.9
331.19308	0.7
336.15799	2.0
343.19122	0.8
345.17438	0.6
347.18567	1.9
357.16895	0.9
357.20740	11.3
358.21280	2.4
359.18658	34.5
360.19113	4.0
371.18555	18.3
371.22464	2.5
372.18802	2.3
375.18188	8.4
376.18713	1.2
385.20151	3.7
389.19714	2.1
426.24393	1.0
427.24774	1.3
429.22787	1.5
430.22742	0.5
443.24222	3.1
444.25089	1.6
445.25916	12.2
446.26297	1.2
457.25980	1.0
459.27667	2.8
461.25763	1.1
475.28046	0.5
585.41705	3.2
586.41370	0.6
587.44916	0.7
631.43811	79.3
632.44147	17.5
632.54602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01363	0.5
60.35802	0.4
68.99825	0.5
69.03435	0.4
71.05022	0.3
79.05534	0.4
83.05047	0.2
85.06600	5.2
87.04516	0.9
89.12427	0.3
95.05017	0.4
97.06598	9.5
98.06954	0.4
99.08169	1.2
107.05036	0.4
109.06588	1.6
111.04532	15.4
111.08169	9.9
112.08463	0.4
113.06097	4.0
118.28177	0.3
120.05830	0.3
121.06615	1.1
123.04513	1.3
123.08190	2.1
125.06100	5.6
125.09731	3.5
135.04526	0.3
135.08151	0.6
137.06093	1.0
139.07648	1.2
140.07898	0.3
140.66901	0.3
149.02463	0.5
149.09721	0.9
150.53288	0.3
151.03996	0.7
153.09230	0.5
155.14421	0.3
163.07634	0.6
163.11302	0.6
165.09212	0.4
167.07187	0.3
169.16019	0.8
175.07635	0.6
177.01952	0.3
177.09247	0.6
179.07195	0.4
180.04356	0.5
189.09212	0.4
191.07143	0.4
191.10796	3.4
191.14539	1.3
193.08708	4.3
193.12386	0.6
194.09013	0.3
203.10829	0.4
203.14430	0.7
205.12370	1.2
205.16019	0.3
207.06778	0.3
207.10295	1.4
208.07370	0.6
209.08159	0.7
217.12263	0.5
219.06735	0.5
219.10226	0.6
219.13879	0.4
221.08188	6.6
222.08888	1.8
223.09673	0.3
229.12222	0.3
231.10388	0.4
233.08240	1.9
233.11861	0.9
235.09720	2.3
236.10452	0.5
247.09773	1.7
249.11287	0.6
255.64500	0.3
256.14560	0.4
257.15451	0.8
261.11441	0.3
261.14954	0.9
261.18536	2.8
262.18787	0.3
270.74109	0.3
273.18524	1.8
275.16574	0.8
275.19879	0.5
280.58649	0.3
287.13049	0.4
289.14420	2.1
291.16089	0.6
293.13953	0.5
299.16666	0.3
301.14468	1.0
303.16135	0.5
305.14209	0.5
305.17676	1.2
315.16214	0.4
315.19672	0.6
317.14038	0.7
317.17618	1.1
319.19113	0.7
327.19717	2.0
331.19150	1.3
341.21252	0.6
343.15802	2.2
343.22690	5.0
344.15765	0.4
344.23117	0.4
345.20615	0.4
357.20551	0.7
357.24451	1.8
359.18677	7.3
360.19046	1.2
361.20154	1.7
369.20703	0.8
373.20285	0.7
375.17813	2.5
375.22092	0.4
376.18542	0.8
385.24020	4.2
386.24463	0.3
387.21823	0.6
399.25143	1.3
429.22818	100.0
430.23166	13.5
431.24319	0.3
443.24368	36.6
444.24780	5.4
445.25906	7.7
446.26437	1.2
457.25888	2.5
458.26395	0.7
459.27600	2.5
461.25565	0.5
476.24463	0.4
515.98834	0.3
585.41656	1.4
586.42517	0.3
595.25714	0.3
610.78937	0.3
631.43671	11.4
632.43817	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	631.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.0
61.98804	0.6
72.70810	0.6
79.05534	0.8
83.05045	1.6
85.06603	3.5
87.04540	1.8
93.75050	0.6
95.05032	0.8
95.44933	0.6
97.06603	5.9
98.20921	0.6
99.08147	1.3
101.06088	1.4
102.91323	0.6
105.96284	0.6
107.05058	1.2
109.06594	2.9
111.04534	17.9
111.05314	1.1
111.08181	4.8
113.06105	1.4
114.96037	0.6
119.08650	0.8
121.06598	2.7
122.03781	1.0
123.04529	1.9
123.08180	8.7
125.06107	11.1
125.09724	2.0
125.57027	0.6
127.07647	0.7
135.04530	1.0
135.08188	0.9
136.05319	0.7
137.06079	1.3
137.09723	6.9
139.03957	1.0
141.09230	1.2
149.09784	1.3
151.04010	3.3
151.11237	0.8
163.03999	1.0
163.07683	0.8
163.11287	0.7
165.05556	2.1
165.09210	3.3
166.02754	2.0
167.07161	5.4
177.09180	0.9
178.10036	1.7
179.10892	0.7
180.04327	0.8
181.08655	1.4
191.03453	1.0
191.07051	1.0
191.10841	2.6
193.05112	1.1
193.08665	2.4
193.12306	2.9
205.05498	0.7
205.12308	2.6
207.06602	0.9
207.10402	0.9
207.13890	5.1
208.07419	2.3
209.08189	8.3
217.12263	1.3
219.06616	2.7
219.10304	0.8
220.07274	0.9
220.10881	0.8
221.08202	17.6
222.08894	5.2
223.09714	1.8
231.10236	2.5
231.13838	1.5
233.08168	13.5
233.15312	0.7
234.08752	2.2
235.09773	16.1
235.13478	1.9
236.10283	1.8
243.13875	0.7
247.09727	5.5
247.13519	0.7
248.10307	1.7
249.11307	19.0
249.14935	4.0
250.11839	2.0
255.13818	0.9
256.14612	0.8
257.15417	2.0
259.13370	0.7
261.11276	2.4
261.18625	1.8
262.08395	0.8
263.12888	1.2
273.11224	1.2
273.18726	0.7
275.09116	0.9
275.12854	2.4
279.12375	31.1
280.12839	3.1
287.12939	1.4
288.13715	3.5
289.14462	10.0
290.15063	1.0
293.13947	98.0
294.14273	9.6
298.07520	0.7
301.10965	1.3
301.14404	9.1
302.14896	0.9
303.12338	2.1
303.16016	3.1
305.14001	1.0
305.17487	1.0
313.21930	1.4
315.12540	0.9
316.13202	1.2
317.13895	4.3
317.17596	5.6
318.18118	1.0
319.15399	1.6
327.19720	1.5
331.19098	1.0
336.15854	1.2
343.15457	1.6
343.19177	0.9
343.22784	2.4
347.18643	0.9
350.17374	1.2
357.20721	8.8
358.21252	2.5
359.18649	51.9
360.18982	7.0
361.20126	2.9
371.18597	7.5
371.22400	1.7
372.18613	1.1
375.18005	4.1
385.20157	18.5
386.20673	2.5
389.19690	9.2
390.20154	1.2
429.22830	53.3
430.23248	6.4
440.25699	1.1
441.26733	1.2
443.24341	19.5
444.24786	2.6
445.25861	8.1
446.26172	0.8
457.26083	2.1
458.26895	1.0
459.27542	12.6
460.27838	1.2
461.25269	0.8
475.27017	1.1
585.41522	3.1
586.41925	1.2
587.44562	1.3
631.43805	100.0
632.44067	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03868	0.5
57.03446	2.4
59.01383	6.5
71.01388	1.3
72.99315	38.7
73.02952	1.1
74.31368	0.5
75.00881	28.7
79.59310	0.5
83.01408	0.7
83.05041	2.2
87.00886	0.9
87.04530	2.3
89.02433	0.6
101.02463	0.9
109.02981	0.9
117.62038	0.5
125.02477	0.9
143.08011	0.5
145.10240	0.7
161.09743	0.9
163.11348	1.0
165.01939	1.5
166.05046	0.6
175.11261	0.7
177.01901	0.6
177.09311	0.6
177.12843	1.3
189.01970	0.6
189.09351	0.6
207.10269	2.5
239.12901	63.2
240.13255	5.6
265.10846	1.3
283.11880	100.0
284.12198	8.1
341.06595	1.9
341.30466	0.5
366.38043	0.5
427.47418	0.5
451.10425	1.4
602.69049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88387	0.2
57.03436	0.2
59.01372	0.9
61.78117	0.2
61.98830	1.1
69.73162	0.2
71.01379	0.4
71.72314	0.2
71.72688	0.3
85.02961	0.4
88.98801	0.3
89.02423	0.2
93.03439	0.2
95.01401	0.2
96.96037	0.2
103.00365	0.2
106.25809	0.2
107.05096	0.2
109.02956	0.8
115.05607	0.2
116.92899	0.3
117.03532	0.2
119.05054	0.3
120.77115	0.2
121.02951	0.4
123.04532	0.5
125.02483	0.9
135.04579	0.3
137.02477	0.4
143.05019	0.6
145.02910	0.4
147.04523	0.3
149.02454	0.6
150.03264	1.5
151.00398	0.6
151.03993	0.5
159.04590	1.2
161.02472	1.1
163.04004	0.5
165.01942	0.7
165.05594	1.6
171.04517	0.6
173.02351	0.4
176.04848	0.5
179.03499	1.6
180.04260	0.2
187.04012	2.7
188.04514	0.2
189.01947	0.7
191.03519	1.0
191.05589	0.7
191.07219	0.2
192.04207	0.2
194.05853	1.2
195.06667	1.9
203.03447	1.0
209.08191	2.4
214.02643	0.3
215.03531	5.5
216.03793	0.3
217.01410	1.3
218.01831	0.2
225.07684	0.3
231.02953	1.4
259.02475	100.0
260.02832	6.9
271.02335	0.2
279.16275	0.2
289.07187	0.5
299.02145	0.3
323.15060	0.2
341.06326	0.3
373.12875	0.3
404.58279	0.2
417.10599	0.2
469.18402	0.2
479.99973	0.2
555.57019	0.2
604.51788	0.2
613.13928	0.5
630.28131	0.2
631.24695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85424	0.4
59.01365	1.2
59.97227	0.4
61.98836	2.3
63.02426	0.5
63.91674	0.4
71.01369	1.2
71.70619	0.7
83.01405	0.5
87.56268	0.4
89.02444	0.5
95.97690	0.4
102.58646	0.4
116.92841	0.6
123.00893	0.5
124.01662	1.2
124.68745	0.4
125.09727	1.0
126.10035	0.5
126.66930	0.4
139.03989	0.5
145.02956	0.4
163.26976	0.4
171.10248	1.2
175.04001	0.5
183.04544	1.4
185.11891	0.5
187.03923	0.6
187.09798	0.5
189.01837	1.1
189.05630	0.6
190.02678	0.7
191.07121	1.3
198.03279	0.9
199.03951	0.6
199.09770	0.9
205.05061	0.5
205.08638	0.5
209.11870	0.8
211.03998	1.4
211.13342	1.3
212.13797	0.5
213.01953	1.8
214.02698	1.6
216.00775	0.6
217.01439	1.0
217.04997	0.5
219.06555	0.5
226.02675	4.6
227.03450	4.9
229.01433	1.7
230.02203	1.0
239.03458	1.7
241.01349	1.2
241.05170	0.6
242.02126	0.9
243.02843	0.7
244.00116	1.7
245.00780	0.7
246.01711	4.3
247.99556	0.8
253.09280	0.7
254.02142	1.7
255.02988	19.5
255.05681	1.0
256.03427	1.9
257.04663	2.0
258.01733	0.6
271.02457	1.2
271.99622	0.8
272.03174	0.4
274.01178	55.1
275.01520	4.0
281.04379	0.5
282.01700	41.0
283.02454	38.6
284.02994	4.2
285.04031	20.1
286.04410	1.7
287.01935	5.8
288.02408	0.4
289.03540	41.3
290.03937	3.0
297.07684	1.4
307.06146	4.7
308.06369	0.6
313.07294	0.5
323.05603	1.3
325.03403	1.1
325.07181	4.7
326.07516	0.7
329.10190	0.7
341.06674	86.0
342.07019	9.4
343.08231	100.0
344.08551	9.8
503.72260	0.4
525.74438	0.4
534.17413	3.9
554.82684	0.5
573.06274	0.9
630.32281	1.3
631.31738	0.8
649.49194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16462	0.2
61.98824	0.9
62.21744	0.2
70.58686	0.5
70.59102	0.6
71.01390	0.3
73.37209	0.2
88.98813	0.3
93.03465	0.7
111.00869	0.3
111.04551	0.5
137.02455	0.5
147.04480	0.3
170.23944	0.2
171.10385	0.4
173.04568	0.4
175.04022	0.4
175.07674	0.5
189.05592	0.7
189.09207	1.5
197.11803	0.7
198.12181	0.5
199.04201	1.2
199.09721	0.5
201.05380	0.3
203.07158	5.3
204.07614	0.5
211.13420	1.6
212.13768	0.5
215.07210	1.2
216.05620	0.3
217.05246	6.4
217.08603	2.2
221.08195	0.3
222.08925	0.3
233.06256	0.4
262.18414	0.2
272.03012	0.2
283.13577	0.3
342.18448	0.3
351.08813	0.6
364.10541	0.3
365.10504	3.0
366.11328	1.4
379.08252	0.3
379.12225	2.7
393.08936	1.8
393.14279	3.0
394.10690	0.7
394.14719	5.2
395.15125	0.3
405.13733	1.1
406.12027	0.4
407.11594	7.6
408.12048	1.1
420.12857	0.3
421.13254	5.7
422.13937	27.4
423.14340	3.2
433.13184	2.3
435.14697	6.0
436.14990	0.7
447.14529	0.9
448.15408	0.6
454.13110	2.2
461.16220	0.4
475.17545	0.6
477.15915	0.6
487.17770	1.7
488.18015	0.3
489.19608	1.4
490.20078	0.3
491.17676	0.3
501.19617	0.4
503.20905	0.9
517.23022	0.4
532.25305	0.3
543.24103	3.9
544.24219	0.4
545.21960	1.6
559.23743	1.0
560.24402	1.5
561.24762	0.6
628.32080	0.5
629.31555	100.0
630.31879	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	629.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98827	3.5
63.03493	0.4
66.09225	0.4
66.52954	0.4
71.67854	0.4
71.71196	0.8
71.71594	0.5
88.98811	1.0
93.03491	0.8
96.29579	0.4
102.48631	0.4
109.06607	0.6
111.04510	0.6
116.92838	0.6
119.04979	0.5
133.02930	0.6
135.04495	0.6
137.02431	0.5
160.54922	0.6
171.10265	0.7
180.28511	0.4
185.11806	1.3
189.09286	0.7
189.36491	0.4
191.05597	1.6
197.11848	0.8
199.04237	0.7
199.09863	0.8
199.13419	1.4
203.07175	4.7
207.10156	1.0
209.11743	1.1
211.13356	3.1
214.85915	0.4
215.07114	1.6
216.07770	0.4
217.05283	4.8
217.08665	1.7
225.11319	0.4
243.13889	1.2
271.13406	2.6
272.13696	0.4
285.14819	0.6
296.24316	0.5
303.05136	0.4
326.07797	0.5
327.08725	2.7
343.31937	0.5
351.07373	0.6
365.10587	1.8
368.08633	0.5
379.12033	1.4
393.09521	0.8
393.13803	1.5
394.14792	2.4
405.13672	1.2
407.11584	5.1
414.91144	0.5
421.13141	4.3
422.13898	16.8
423.14114	1.7
433.13107	5.1
434.13715	1.1
435.14725	3.3
436.15366	0.5
447.14471	0.7
454.12674	0.6
475.17676	0.7
477.15424	0.6
487.17694	1.3
489.19485	9.1
490.19763	2.1
501.19678	0.7
502.20132	1.1
503.21024	6.4
504.21054	1.2
543.24231	1.4
544.24347	0.5
545.21606	1.9
559.24042	0.7
560.24200	2.7
561.24683	0.6
629.31549	100.0
630.31830	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	627.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.5
61.98833	3.4
67.34219	0.9
70.01878	6.0
71.05012	1.0
74.37212	0.9
85.02969	1.3
85.06602	1.6
87.04514	1.5
91.43436	0.9
95.04974	1.2
99.08200	1.5
101.06048	1.5
107.05083	1.3
111.04574	1.8
123.04549	2.3
124.30636	1.1
125.06107	11.4
137.09724	2.2
151.04030	10.4
152.04755	1.4
165.09206	1.5
166.02808	1.4
167.03481	1.3
177.01866	1.6
179.03453	2.1
180.04227	9.1
181.08745	1.1
191.07132	1.5
193.08656	1.9
195.06577	1.6
197.08180	2.0
207.06700	1.5
207.10278	3.2
209.08162	10.7
210.08499	1.4
217.08690	3.3
219.06660	1.4
221.08199	4.5
222.08958	3.1
233.08093	1.4
235.09764	100.0
236.10474	26.6
237.07814	1.3
239.33453	1.1
247.09631	4.9
249.11282	4.9
261.15283	1.2
277.14627	1.6
289.14764	1.1
303.15848	1.4
305.13934	1.7
306.14758	4.2
331.19055	1.6
333.17068	1.1
335.18622	1.7
336.80484	1.1
347.18695	4.0
373.20151	6.9
374.20999	19.2
375.21793	11.8
390.20480	7.7
425.27060	2.6
429.26859	5.1
447.27612	2.2
482.09235	1.0
548.69440	1.2
595.36212	1.2
609.37994	7.0
610.38269	1.6
621.53662	1.2
627.39191	73.4
628.39612	16.8
651.95544	1.4
656.16870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.3
61.98829	8.0
67.01865	0.8
68.99798	1.0
70.14367	2.8
71.01389	1.6
78.95916	1.2
79.01882	2.6
83.01383	1.0
85.02946	1.3
88.98814	1.1
91.05648	0.7
93.03450	3.6
95.01379	3.9
96.96031	8.4
96.96950	2.4
107.05025	1.1
109.02940	3.2
111.00882	2.1
111.04517	1.1
117.03486	0.7
119.05008	1.4
121.03001	4.2
122.03765	7.5
123.00883	7.5
123.04509	1.4
124.01641	2.3
125.02434	2.5
127.00385	1.5
129.98705	0.6
133.02960	2.2
135.04520	2.2
136.01631	2.2
136.98798	1.3
137.02492	3.5
137.99687	0.7
138.03255	3.5
139.00409	6.3
139.04008	1.8
145.02954	1.9
147.04535	5.1
149.02451	13.1
150.03249	50.1
151.00392	17.6
151.04018	4.5
152.00888	1.2
153.01952	3.3
153.05576	3.1
154.02722	0.6
155.03500	0.6
159.04562	3.3
161.02420	2.1
162.03200	2.5
163.04050	3.0
164.04761	2.1
165.01920	1.7
165.05585	46.2
166.02725	32.5
166.05911	3.0
167.03253	1.5
173.02414	0.9
174.03162	0.8
175.04041	5.4
176.01094	1.5
176.04704	0.8
177.01958	4.1
177.05551	3.2
178.02733	2.0
179.03505	2.1
180.04283	4.6
181.05081	51.3
182.05357	2.1
187.04016	1.3
188.04839	0.8
189.01866	1.5
189.05528	1.2
190.02719	1.7
191.03496	11.4
191.05591	4.0
192.04291	5.7
193.05081	4.4
194.05858	3.2
195.02943	0.7
195.06627	17.0
196.06857	1.2
197.04698	0.8
198.05383	1.4
201.01933	10.5
202.02444	1.2
203.03505	24.6
204.04065	2.8
205.05084	3.1
206.05977	0.7
207.06660	6.6
208.07149	0.7
209.08055	1.1
217.05125	1.0
218.05846	17.7
219.02994	0.7
219.06404	2.4
220.03696	1.1
221.04585	5.2
222.04985	1.1
227.12776	1.0
229.01413	3.4
233.08186	27.0
234.05286	1.5
234.08440	1.5
235.06117	3.7
236.06885	15.7
237.07349	1.4
239.03650	0.6
243.03014	0.9
243.06732	0.8
249.07681	1.2
251.09241	55.6
252.09584	3.7
257.00943	10.1
258.01663	4.0
259.02469	12.4
260.02686	0.9
260.14691	0.6
263.12851	3.1
264.13208	2.5
269.04688	0.8
271.02423	2.2
271.06039	0.8
289.07239	3.3
329.10623	0.9
339.08813	1.2
341.06577	1.6
343.08185	1.2
353.09543	0.9
355.08160	1.4
357.09805	1.7
358.10626	3.5
358.15741	0.6
359.11307	1.3
372.12485	0.8
373.12973	6.5
385.12906	2.3
387.10727	0.8
393.06241	1.8
403.09613	1.1
403.13959	2.2
407.21011	0.7
415.13782	1.0
416.11063	1.9
417.11783	2.6
418.12592	1.5
419.12961	1.0
420.06985	25.0
420.12604	1.4
421.07632	4.0
421.12393	0.7
431.13474	2.6
432.14178	2.9
433.14990	20.5
434.15347	2.4
449.15421	1.8
487.10413	1.4
503.10034	0.9
518.73920	0.7
551.15277	1.1
581.20270	10.0
582.20612	1.0
611.21692	1.7
629.22321	100.0
630.22729	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14987	0.5
59.01374	1.7
62.83443	0.6
64.96437	0.5
69.55493	0.5
71.01391	1.6
73.02922	0.6
79.27067	0.6
85.02953	9.2
87.00894	3.1
88.98811	2.2
93.03460	3.3
98.19920	1.1
99.04560	0.7
109.02966	2.0
111.04536	1.2
119.05041	51.3
120.05369	2.6
121.03039	0.7
123.00904	1.7
123.04546	1.2
124.01678	82.8
125.02022	1.8
127.04030	2.5
128.80756	0.5
137.02492	1.0
139.04030	89.7
140.04361	2.6
145.03027	0.6
151.04050	0.5
155.03496	0.6
163.04025	54.9
164.04359	2.9
165.01932	4.1
167.03506	2.2
171.02968	0.7
173.04509	1.3
177.01875	0.8
189.01941	0.9
190.02594	0.6
191.05624	100.0
191.86113	0.6
192.05980	4.3
217.01488	0.8
245.73386	0.6
301.03711	1.2
301.09290	17.5
302.09677	1.3
325.09222	5.4
326.09399	0.9
337.09225	0.7
341.06595	2.9
435.11038	4.9
623.33026	0.5
627.24200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	71.0
60.01716	1.1
61.98787	0.7
69.39993	5.7
69.40401	1.2
71.01385	1.2
75.38103	0.6
85.02948	2.3
87.00877	1.0
92.35637	0.6
93.03464	1.4
93.35061	0.6
98.19882	1.1
109.10736	0.7
113.02487	0.6
121.02996	3.8
122.03762	6.2
123.04446	0.8
123.19194	0.7
125.02489	0.9
133.02931	0.7
135.04559	0.9
149.02466	24.8
150.03253	47.9
151.03635	1.5
160.05328	0.8
161.02457	6.0
163.04097	0.7
164.04805	6.8
165.05594	78.7
166.05923	3.8
175.07553	1.0
176.04807	4.1
179.03529	9.9
180.04280	5.3
191.05620	16.6
191.07138	1.2
194.05850	13.4
195.06642	100.0
196.06967	5.2
209.08200	42.1
210.08546	2.5
295.05927	0.8
300.02890	1.1
310.08545	1.1
313.10550	0.8
342.11166	6.3
357.13434	43.6
358.13828	5.5
385.16913	0.6
405.15570	33.4
406.15869	4.3
576.99292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86890	0.2
57.03438	0.6
59.01374	1.4
60.99300	0.3
67.01905	1.3
69.81552	1.5
71.01377	1.3
73.02555	0.3
73.02963	0.4
81.03482	0.5
83.05029	0.6
85.02438	0.6
85.02957	9.1
87.00893	2.5
93.03467	8.3
99.04524	0.5
109.02961	1.2
111.04536	2.2
111.08160	0.9
115.01276	0.3
117.95890	0.3
119.05042	2.8
123.04498	0.5
125.02472	0.4
127.04059	2.2
137.02435	0.8
151.04059	0.4
155.03500	0.6
163.04021	4.3
165.01971	0.5
171.03044	0.4
173.04565	15.7
173.08147	1.7
174.04869	0.9
174.08591	0.5
175.08807	0.4
177.02000	0.4
188.91319	0.3
189.01901	1.3
189.39513	0.3
190.02563	0.3
191.05623	100.0
192.05969	4.2
217.01526	0.8
219.03030	0.3
245.08119	0.3
248.59279	0.3
283.06189	0.5
289.07062	1.3
303.14487	0.4
337.09268	9.4
338.09567	0.6
341.06699	2.3
435.10898	3.1
436.11121	0.4
627.17126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
60.99323	0.2
67.01893	0.6
69.03471	0.4
69.43636	0.2
69.77769	1.1
69.78171	0.4
71.01379	1.0
71.94378	0.2
73.02940	0.3
73.24007	0.2
78.53175	0.2
81.03461	0.5
83.05038	0.5
85.02961	9.8
87.00876	2.1
93.03463	6.0
99.04510	0.5
108.05799	0.2
109.02963	1.8
111.04537	1.3
111.95309	0.2
117.03454	0.2
119.05024	1.4
123.04532	0.5
125.02482	0.4
127.04032	2.5
129.05492	0.2
137.02452	0.6
145.02971	0.5
149.02457	0.3
151.03951	0.4
153.01955	0.3
155.03525	0.3
163.04027	1.6
171.03004	0.7
173.04576	5.7
173.08177	0.2
174.04855	0.3
177.01950	0.7
189.01973	1.3
190.02629	0.3
191.05624	100.0
192.05989	4.1
202.35568	0.2
203.07274	0.3
205.04956	0.2
209.15791	0.2
216.00673	0.3
217.01399	1.1
219.03017	0.4
231.02890	0.3
270.19281	0.2
274.16861	0.2
289.07111	1.0
337.09296	3.3
338.09641	0.3
341.06674	2.7
342.06909	0.3
435.10916	2.8
436.11255	0.3
480.73056	0.2
627.17023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
68.25230	0.3
68.99836	0.3
69.03457	0.7
69.99574	1.6
71.01389	1.2
71.05025	1.5
77.03964	0.7
83.01392	0.6
85.02956	2.5
87.00893	0.8
89.02475	0.3
91.00030	0.3
93.03487	2.3
95.05038	3.3
95.15799	0.2
97.02967	6.7
99.04510	0.2
100.94060	0.3
101.02464	0.5
109.02972	5.5
115.04028	0.9
121.02985	3.8
127.04003	0.6
137.02464	17.4
138.02843	0.8
139.04036	12.7
140.04404	0.5
153.01961	12.6
154.02321	0.5
158.96094	0.3
165.01956	100.0
166.02299	5.3
170.81804	0.3
183.03015	24.9
184.03352	1.1
191.05646	29.3
192.06012	1.0
301.03549	39.6
302.03854	4.3
303.14389	0.6
319.04614	11.5
320.04913	1.2
337.09183	0.3
352.19196	0.3
408.22861	0.3
465.09177	0.6
627.25732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83619	0.2
57.03436	0.4
59.01373	1.7
60.99298	0.2
69.03474	0.4
71.01385	1.6
72.99307	0.2
73.02950	0.4
74.33941	0.2
81.03477	0.4
83.01420	0.3
83.05025	0.5
85.02959	9.8
87.00883	1.9
87.72142	0.2
88.98837	1.3
89.02452	0.6
93.03468	4.3
97.02981	0.3
99.04552	0.4
101.02484	0.5
108.02167	0.3
109.02963	1.8
111.04535	1.0
113.02473	0.5
119.05043	27.7
120.05384	1.4
121.02969	0.3
123.00903	0.9
123.04537	1.0
124.01678	39.4
125.02050	1.3
127.04047	2.1
137.02467	0.9
139.04031	45.1
140.04387	1.7
142.66762	0.2
145.03009	0.4
147.04500	0.2
149.02393	0.4
151.04007	0.6
153.01942	0.6
161.06122	0.3
163.04025	29.3
164.04358	1.2
165.01947	2.2
167.03517	1.4
171.02962	0.7
173.04576	1.3
177.01930	0.9
183.02972	0.6
187.04079	0.3
189.01952	1.2
190.02692	0.5
191.05623	100.0
192.04230	0.5
192.05945	4.6
203.07072	0.3
216.00484	0.4
217.01378	0.8
219.03012	0.6
220.20540	0.2
227.28413	0.2
231.03001	0.7
245.08191	0.3
289.07132	0.7
301.03571	0.9
301.09290	8.7
302.09637	0.8
325.09290	3.0
326.09644	0.4
337.09329	2.6
341.06610	3.2
342.06824	0.3
405.08420	0.3
435.10886	4.2
436.10989	0.5
453.11905	0.3
465.09839	0.3
475.48749	0.3
538.25031	0.2
567.26862	0.4
627.23102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03455	3.5
58.00592	0.7
59.01383	7.9
61.98832	9.3
69.03465	0.4
71.01386	6.8
71.71841	0.7
72.99317	0.5
73.02961	0.9
75.00891	0.6
78.95911	3.3
80.96535	0.4
83.01408	0.7
83.05016	0.5
85.02966	1.8
85.06594	5.1
87.00887	0.6
87.04532	1.3
88.98843	0.7
89.02448	4.3
93.03476	0.7
95.01424	0.5
96.96034	0.6
96.96976	0.8
97.02963	0.4
97.06604	0.8
99.00883	0.5
99.16582	0.4
99.92622	0.4
100.31072	0.3
101.02462	4.9
107.05089	0.4
109.02995	0.5
111.04536	12.0
111.08178	11.5
112.08543	0.5
113.02493	2.5
116.92884	2.4
119.03532	1.7
121.03002	0.6
123.04539	1.2
123.08206	0.8
125.02459	1.6
125.09742	0.6
135.04579	0.6
136.05286	0.6
139.07681	1.0
149.02411	0.4
149.09749	0.6
152.99628	3.0
161.04686	0.6
163.07634	0.5
163.11273	1.9
165.09196	0.6
165.12863	0.7
167.10783	0.5
169.12338	0.6
171.10258	1.0
175.07666	0.5
175.11391	0.7
177.09206	0.7
187.11382	0.5
189.12816	1.8
191.03687	0.5
191.05586	1.0
191.14494	1.8
193.08710	1.3
193.12387	1.5
197.11855	8.4
198.12231	0.5
203.10902	0.5
203.14478	0.8
206.05666	0.7
207.06659	0.8
207.13960	0.6
209.11855	8.7
210.12245	0.6
211.13481	1.0
217.12346	0.6
221.08258	0.7
227.12843	0.7
233.08272	0.8
233.15453	0.4
235.13399	0.9
241.01231	0.9
247.09729	0.9
253.09335	0.8
257.15521	0.5
261.18637	1.3
273.18774	0.4
275.16492	0.7
291.12524	0.7
305.14200	0.4
305.17551	1.2
309.20844	0.6
323.05768	0.4
343.15280	0.5
343.22690	3.2
344.23325	0.5
369.20782	1.7
371.18216	0.4
375.21970	0.6
383.25891	1.1
389.23419	0.9
401.26880	2.4
445.25964	30.5
446.26303	5.5
485.24576	0.5
607.31384	1.1
625.32605	100.0
626.32928	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	625.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26553	0.2
57.03448	1.1
58.00599	0.3
59.01383	5.9
60.15508	0.2
60.52423	0.3
61.98545	0.4
61.98835	3.4
67.40771	0.2
68.53584	0.3
69.03477	0.3
69.81380	1.2
69.81795	0.7
71.01392	3.2
72.99333	0.3
73.02952	0.4
76.06263	0.3
79.10435	0.3
80.29227	0.3
83.01417	0.4
83.05018	0.3
85.02963	1.0
85.06606	0.7
87.34641	0.2
89.02459	2.2
95.01440	0.3
95.05099	0.3
97.02962	0.3
98.19848	0.4
99.00924	0.3
99.04524	0.3
101.02453	2.6
106.54460	0.3
107.05049	0.4
109.03011	0.5
111.04545	3.6
111.08167	0.5
113.02480	1.2
119.03539	0.6
123.04530	1.0
125.02471	0.5
137.02448	0.4
139.07817	0.3
140.39578	0.3
143.37953	0.3
149.09735	0.3
151.04033	5.7
165.09100	0.3
166.02748	0.6
171.10274	0.8
172.12576	0.3
177.02002	1.1
177.09221	0.8
179.03510	0.8
180.04271	2.1
191.05658	1.2
191.10950	0.3
193.08766	1.5
195.10291	0.6
197.11853	5.0
203.07178	2.3
206.05896	0.4
207.06648	4.5
208.07338	1.6
209.08206	0.9
209.11853	6.3
211.13602	0.6
221.08203	72.1
222.08841	12.2
222.62704	0.3
223.09264	0.7
225.11053	0.3
227.12918	0.6
233.08267	1.8
235.09787	3.4
235.13377	0.7
243.84700	0.3
253.09340	0.8
289.14624	0.3
291.16031	0.4
305.17551	0.5
317.13943	0.5
319.15558	0.8
327.15732	0.3
359.18686	0.7
360.19336	0.8
361.20175	5.0
362.20819	0.8
371.22549	0.6
375.21887	0.7
389.23392	0.8
401.26855	0.6
433.20624	0.3
445.25955	21.1
446.26254	3.6
540.25806	0.5
607.31293	0.9
625.32428	100.0
626.32770	21.7
626.43243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
58.23861	0.3
59.01382	2.7
67.01881	0.4
71.01379	1.6
71.28926	0.5
71.29279	0.7
73.02982	0.5
81.03461	0.5
83.01418	0.4
83.05038	3.3
85.02952	1.2
88.89195	0.4
89.02467	0.7
93.03469	1.3
97.02932	0.5
101.02430	0.9
109.02976	1.5
109.06603	0.9
111.04510	0.6
111.08175	39.3
112.08511	1.1
113.02473	1.9
123.04589	0.8
125.02444	1.0
129.09258	2.4
129.61157	0.4
133.03049	0.4
135.04543	1.0
137.02441	0.9
153.09259	1.6
162.89246	0.3
163.04050	0.8
173.08205	100.0
174.08562	4.2
179.03532	2.3
187.09772	1.1
191.05638	4.0
197.08176	3.7
203.07016	0.5
209.11833	0.6
215.09325	0.8
233.54623	0.4
245.08176	0.7
289.07211	4.3
335.07953	1.2
335.13470	13.9
336.13855	1.0
337.09238	1.1
397.13974	0.3
416.81714	0.4
543.69238	0.3
547.64709	0.3
581.20709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03442	1.7
58.00598	0.4
58.60067	0.2
59.01382	7.6
61.98834	3.2
69.03448	0.5
69.96244	1.5
71.01389	6.1
72.99316	0.3
73.02934	0.8
75.00883	0.5
78.17988	0.3
78.95931	0.4
79.95747	2.3
80.02693	0.7
80.96524	2.3
81.03461	0.9
83.01396	1.0
83.05042	2.7
83.40398	0.3
85.02957	2.4
85.06622	0.4
86.00137	0.3
87.00883	0.8
87.04502	0.3
89.02454	4.3
93.03468	0.7
94.98104	0.7
95.01403	0.8
95.05042	0.9
96.96059	0.4
97.02963	0.4
97.06591	0.4
99.00904	0.4
101.02457	4.4
107.05042	0.4
109.02975	0.7
109.06586	0.6
111.04539	4.9
111.08163	1.5
112.04861	0.7
113.02476	1.8
119.03505	1.1
121.06644	0.4
123.04524	1.1
123.08186	0.6
125.02456	1.1
125.06141	0.3
125.09735	0.7
129.30498	0.3
135.08185	0.6
137.02443	0.3
137.09718	0.5
143.03456	0.3
151.00273	0.3
151.04030	4.0
151.07571	0.4
151.11288	0.3
153.09236	0.3
153.12883	0.5
161.04538	0.8
163.11319	1.8
164.98712	0.5
165.05537	0.6
165.09317	0.3
165.12857	1.1
166.02725	0.6
166.13284	0.3
167.10744	0.3
169.12338	2.5
171.10303	4.1
173.04546	0.7
177.01891	0.4
177.09232	0.4
179.03543	0.4
179.05585	0.4
179.10764	0.4
180.04254	0.9
181.12442	0.5
187.09799	0.3
191.05643	4.1
191.10767	1.4
193.05096	0.3
193.08736	0.6
193.12337	0.3
195.10271	1.7
197.11842	43.2
198.12236	2.2
201.12817	0.4
203.07156	1.6
204.07297	0.4
207.06638	4.1
207.10025	0.3
208.07370	2.5
209.11839	64.4
210.12183	4.5
211.13367	2.0
212.13846	0.3
215.12921	0.3
217.08778	0.4
219.13936	1.1
221.08197	49.1
222.08852	8.0
225.00644	0.8
227.03561	0.6
228.04237	0.3
233.08218	0.6
235.09924	5.6
235.13316	2.6
235.17062	0.4
236.10085	0.5
236.13741	0.5
249.11314	0.3
253.09280	3.8
259.02530	0.7
263.12811	0.5
283.02499	2.5
283.13354	1.9
284.02954	0.3
291.16141	0.5
299.01990	0.8
301.14456	1.4
308.16284	0.7
319.15564	4.6
320.16058	1.0
321.17084	3.4
323.05569	0.7
325.03473	0.4
327.23340	0.5
335.18579	0.5
341.06540	2.1
345.17114	0.6
353.14017	0.4
359.18423	0.4
360.19308	0.7
361.20090	2.3
371.22256	1.7
375.21896	0.4
377.19733	0.5
378.20496	2.9
379.20880	0.6
389.23337	2.4
390.23776	0.3
401.26859	0.4
407.24240	0.7
415.19647	0.8
433.20532	2.1
445.20563	1.9
445.26013	8.6
446.26233	1.1
447.27524	3.0
448.27673	0.4
497.17133	1.2
513.26184	0.4
539.17834	0.8
567.05719	0.4
607.31409	4.4
608.31769	0.9
625.32452	100.0
626.33307	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	623.3089
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
50.29546	0.2
52.32097	0.2
55.36743	0.2
57.03430	0.7
59.01385	5.0
61.98834	5.8
68.54569	0.2
68.87934	0.2
68.99803	0.4
69.03447	0.4
70.28805	1.2
71.01389	3.9
72.99297	0.5
73.02950	0.8
78.91883	0.5
78.95884	0.4
79.01899	0.4
81.03476	0.3
83.01398	0.3
85.02950	1.5
85.06596	0.3
87.00884	0.4
87.04520	1.0
89.02470	1.9
94.54875	0.3
95.01404	0.7
95.05030	0.3
97.06631	0.4
98.20003	0.3
99.00858	0.4
101.02451	2.8
109.06609	0.4
111.00881	0.3
111.04539	8.8
112.04873	0.3
113.02478	1.5
113.06106	0.5
119.03506	0.4
123.08189	0.4
125.02477	0.8
137.02466	0.3
137.09775	0.6
151.04036	0.8
161.04578	0.3
179.03584	0.2
189.12778	0.4
197.11833	0.5
199.13148	0.3
207.06662	0.5
207.10271	0.9
208.07349	0.4
219.06607	1.8
220.07288	0.4
221.08199	2.9
222.08798	0.6
225.11166	0.4
233.08197	1.9
235.09816	0.4
249.15077	0.3
252.06348	0.4
287.12912	0.6
289.14325	0.4
303.15967	0.4
317.13916	1.1
325.21466	0.4
343.19055	0.4
345.16968	0.9
359.18500	0.6
359.22308	0.8
360.19330	0.7
369.20743	0.8
377.23245	0.6
387.21594	1.4
405.22751	0.5
443.24237	0.8
443.28781	0.5
445.26132	0.3
461.25223	1.5
461.30856	0.4
463.01593	0.3
491.35892	2.2
503.26630	0.3
534.36896	0.3
560.57953	0.3
595.32587	0.3
605.29718	1.0
610.98755	0.3
623.30878	100.0
624.31201	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3088
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
50.28398	0.4
55.01882	0.7
57.03452	3.9
58.00594	0.6
59.01089	0.7
59.01378	14.8
60.96113	0.5
61.98833	15.4
62.16003	0.4
70.49552	0.4
71.01384	10.4
72.99308	1.1
73.02946	1.0
78.48694	0.4
81.03455	0.8
83.01399	2.1
85.02955	3.2
85.06571	0.5
87.00864	1.3
87.04512	1.9
88.98803	1.5
89.02455	7.9
90.87138	0.5
93.03464	0.6
95.01406	1.3
95.05023	1.3
96.96011	1.0
97.02959	1.1
97.06594	0.5
99.00900	1.0
99.04543	0.5
101.02451	7.2
104.00200	0.5
105.03412	0.6
106.29527	0.4
109.02971	3.4
111.04518	3.0
113.02449	3.6
119.03535	2.4
121.02965	1.0
122.03727	1.0
123.04540	4.9
123.08170	1.2
124.01709	0.6
125.02461	21.2
131.03506	0.6
133.03003	0.8
135.04538	1.1
137.02475	4.8
139.03975	0.8
141.05586	1.4
144.45650	0.5
145.02940	0.5
147.69437	0.4
149.02431	1.2
149.04515	0.7
149.06096	0.8
150.03210	1.4
150.06894	0.6
151.00435	1.0
151.04025	6.1
151.07611	1.5
160.84500	0.5
161.02493	3.7
161.06061	0.6
163.00388	0.8
163.03961	1.1
164.01199	1.4
165.01927	1.9
167.03493	0.6
175.04004	1.6
175.07628	0.7
177.01944	1.4
177.05580	3.6
177.09160	0.5
179.03459	0.7
179.07161	5.3
180.07863	0.6
181.04999	1.0
187.03989	0.8
191.05623	1.3
194.83060	0.4
195.06638	20.4
196.06973	1.4
197.11836	12.4
198.12160	1.0
203.03464	0.5
203.07144	1.8
204.04312	0.8
205.04987	1.0
207.10297	0.6
209.11838	2.6
213.09248	0.6
215.07051	0.7
217.05128	0.9
219.06633	2.1
219.13817	0.6
243.02972	1.2
245.08131	1.8
245.11742	0.9
247.13365	0.7
248.14043	0.5
255.03163	0.6
255.13853	0.5
257.04446	0.6
257.15472	1.0
259.13422	1.6
263.12933	0.5
265.14407	10.0
267.03259	0.5
273.14929	0.6
285.04034	1.3
287.05499	1.5
287.12820	1.0
289.07141	9.3
289.14407	0.7
305.13596	0.6
315.19681	0.7
321.17102	1.5
330.18405	2.2
331.18729	0.8
343.15488	4.5
351.12762	0.5
359.18610	0.8
399.25195	1.4
407.07727	1.0
425.18152	1.8
426.18387	0.6
443.19180	9.3
443.24542	0.7
444.19461	1.2
445.25662	0.7
451.10272	0.7
503.26266	1.6
511.25192	0.9
561.30450	1.0
563.30414	1.0
564.30096	0.6
574.11591	0.5
577.30304	3.3
578.30646	0.9
579.31921	1.3
605.29895	5.9
606.30164	1.0
623.30884	100.0
624.31189	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	623.309
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
51.75215	0.2
57.03445	1.1
58.00586	0.5
59.01379	6.9
61.98829	2.8
68.99812	0.3
70.48344	0.6
70.48735	0.5
71.01389	5.4
71.05019	0.3
71.26247	0.2
71.62794	0.2
71.92636	0.2
73.02953	0.3
78.95916	1.6
79.01907	5.2
83.01407	0.4
83.05015	0.3
85.02943	1.2
87.00911	0.3
87.04547	0.3
88.98801	0.5
89.02448	3.0
95.01384	0.5
95.05071	0.2
95.59197	0.2
96.83771	0.2
97.03020	0.4
99.00896	0.3
101.02450	2.9
107.05091	0.3
109.02966	0.5
111.04534	9.6
113.02462	1.3
114.93439	0.4
115.00430	0.3
115.81220	0.2
116.92874	1.7
119.03526	1.1
121.06604	0.3
123.04550	0.5
123.08181	0.4
125.02488	1.1
128.30257	0.3
131.03444	0.3
137.02402	0.3
146.55716	0.2
149.02536	0.5
150.03233	0.6
151.00392	0.6
151.04031	1.2
152.99605	0.9
161.04581	0.4
161.05920	0.2
163.11308	0.4
165.05580	0.4
166.06384	0.4
171.10216	0.4
177.01952	0.8
177.09225	0.4
178.02530	0.4
179.03488	0.6
179.07184	0.5
180.04283	0.7
191.05630	0.4
191.07210	0.3
191.10872	0.6
192.07927	1.5
193.04948	0.4
193.08701	0.4
194.05882	0.4
195.06604	0.7
198.05321	0.9
203.07124	0.3
204.04404	0.3
205.05119	2.4
205.08835	0.4
206.05861	0.5
207.06619	0.8
207.10297	1.1
209.08218	0.4
209.11824	1.7
219.06619	8.0
219.10016	0.4
220.07390	5.0
221.08128	3.1
222.09019	1.4
225.11302	0.9
233.08192	6.9
234.08578	0.8
234.86133	0.2
235.09773	0.7
235.13495	0.3
243.03024	0.6
245.08229	0.6
247.09714	0.4
249.11345	0.5
252.06366	3.6
253.06825	0.4
259.09674	0.4
261.11377	0.5
263.09225	10.2
264.09625	1.0
265.14438	0.4
275.09290	0.6
289.14401	2.9
299.12845	1.0
305.13931	0.5
306.14404	0.3
313.18018	0.3
317.13950	11.6
318.14423	1.5
319.15552	1.1
331.19110	0.6
333.13437	4.3
333.17056	0.5
334.14001	1.2
343.15411	0.3
359.18668	3.1
360.18723	0.4
361.16684	2.0
363.12250	0.3
376.18954	1.4
377.19482	0.3
397.13031	0.3
408.17725	0.5
443.19165	0.5
443.24274	1.6
444.24734	0.3
445.25885	2.8
446.26260	0.4
561.20239	0.3
576.63824	0.3
591.25812	0.5
623.30872	100.0
624.31244	22.3
624.41840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.309
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
57.03450	2.4
57.60250	0.3
58.00598	0.4
59.01383	7.1
61.98836	5.6
71.01388	4.8
71.72653	0.5
72.99329	0.7
73.02959	0.5
73.13004	0.3
79.01904	6.0
83.01386	1.1
83.05051	0.4
85.02953	1.1
85.06604	0.4
86.82013	0.3
87.04539	0.6
88.98831	0.6
89.02451	4.0
93.03480	0.4
95.01379	0.6
97.02982	0.6
99.00867	0.6
99.04547	0.5
101.02454	2.9
109.03010	1.4
111.04530	8.0
112.04879	0.3
113.02462	1.2
119.03515	1.3
121.03017	0.5
121.06628	0.4
122.03756	0.3
123.04569	2.1
123.08242	0.4
125.02463	6.0
135.04514	0.4
137.02431	1.5
139.04039	0.5
141.01936	0.3
149.02463	0.8
149.06076	0.4
150.03221	1.1
151.00374	1.3
151.04037	2.7
161.02481	1.6
161.04616	0.6
163.11368	0.7
164.01167	0.7
165.01987	0.6
165.09227	0.4
166.06346	0.3
167.03535	0.4
171.10306	0.5
175.04004	0.4
177.01953	1.3
177.05623	0.5
177.09254	0.5
178.02686	0.4
178.15498	0.3
179.03528	0.9
179.07127	0.7
179.10835	0.3
180.04327	0.5
183.64087	0.3
187.04095	0.3
191.05659	0.4
191.10794	0.8
192.08009	1.7
193.05113	0.4
193.08752	0.5
194.05954	0.3
195.06703	1.0
195.10246	1.8
198.05368	1.2
203.07127	0.5
205.05078	2.9
206.05920	0.4
207.06558	0.7
207.10237	0.9
209.08249	0.7
209.11900	2.9
219.06636	9.5
220.07384	5.1
221.08134	3.6
222.08939	1.3
225.11266	0.7
233.08211	6.3
233.11861	0.4
234.08540	0.5
235.09784	1.0
243.02690	0.5
243.99974	0.4
245.04462	0.3
245.08206	1.5
249.11386	0.3
252.06349	3.0
259.09705	0.5
261.11212	0.3
263.09232	12.5
264.09625	1.3
265.14453	0.8
271.99634	1.5
272.09335	0.3
287.01968	2.5
289.07184	3.0
289.14417	2.5
299.12973	0.9
301.14252	0.4
302.04263	1.5
305.13998	0.7
317.06760	3.5
317.13980	11.4
318.07181	0.6
318.14688	1.5
319.15521	0.6
321.07733	0.5
331.19324	0.5
333.13489	4.9
333.17184	0.3
334.14044	1.2
359.18646	3.7
360.19022	0.6
361.16647	2.6
376.19052	1.6
377.19354	0.4
407.07809	3.7
408.07822	0.7
439.17676	0.4
443.19244	1.8
443.24466	1.7
445.26013	2.6
446.25790	0.5
451.10236	0.4
593.29718	0.5
605.29749	0.4
623.30896	100.0
624.31244	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	623.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36027	0.3
55.01885	0.9
57.03439	1.6
58.00590	1.2
59.01377	22.5
60.01696	0.4
61.84330	0.4
61.98834	6.6
64.01716	0.4
68.99819	1.1
70.69634	0.4
70.69980	1.4
71.01387	15.1
72.01730	0.3
72.99312	1.1
73.02956	1.9
75.00884	0.3
78.95866	0.8
83.01400	1.6
83.05025	1.0
85.02959	4.0
85.06590	1.1
87.00871	0.6
87.04508	2.3
89.02457	11.3
95.01399	1.6
97.02985	0.4
97.06625	0.5
97.72746	0.4
99.00896	0.6
101.02454	10.3
109.06625	0.9
111.00938	0.8
111.04535	40.7
111.15651	0.4
112.04868	1.0
113.02476	4.3
113.06099	4.5
119.03515	3.1
121.06657	0.4
123.04506	0.7
123.08226	0.5
125.02470	0.5
125.06134	0.5
131.03519	0.5
143.07164	0.6
151.04002	0.9
152.11632	0.4
152.99605	0.9
153.63829	0.4
161.04631	0.7
165.05600	0.4
173.13356	0.5
177.02028	0.4
177.12915	0.5
179.07153	0.7
193.12346	0.8
195.10164	0.5
197.11929	0.4
205.05038	0.6
207.10294	1.9
209.11876	1.0
221.08165	3.4
221.15572	0.5
225.11365	1.5
233.08231	0.4
235.09865	0.9
236.10498	0.6
243.21228	1.2
253.29823	0.4
287.20120	2.5
294.67270	0.4
299.01917	0.4
303.12250	0.5
305.21170	0.8
331.19147	0.8
343.95651	0.4
346.25897	0.4
349.20203	1.5
397.13821	0.6
399.25418	0.5
443.24237	4.1
445.26041	1.6
493.24460	0.4
510.29434	0.4
511.17569	0.8
511.25458	37.9
512.25848	6.0
623.30920	100.0
624.31256	23.3
629.07971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01386	2.0
61.98830	0.7
63.02393	2.0
64.98347	0.3
65.00321	2.9
66.38606	0.3
71.01388	3.0
72.99319	0.4
73.02940	0.4
75.00864	0.5
83.01402	2.9
85.02986	1.8
93.03466	1.1
95.01377	0.6
99.00906	0.7
101.02461	0.6
103.00375	0.4
107.01404	8.2
109.02962	3.3
113.02470	2.3
115.00363	0.4
116.92915	0.8
121.02971	7.2
122.03400	0.5
125.02464	1.2
135.00887	0.6
139.03976	0.4
148.01711	0.6
149.02467	1.2
151.00394	28.9
152.00693	1.0
158.93959	0.8
159.04524	0.6
161.02466	0.4
163.00400	3.9
164.01167	0.6
167.04939	0.4
169.01358	2.2
173.06090	0.4
175.02438	0.8
175.03889	0.4
178.99881	13.8
180.00278	0.8
181.93289	0.3
183.04582	1.0
185.02408	0.6
187.04065	1.3
190.99791	0.6
191.05643	1.0
192.00706	0.5
193.01241	0.4
199.04030	0.5
201.05568	1.0
207.10277	0.5
211.03984	1.5
217.05016	0.4
223.06133	0.5
225.11351	0.8
227.03523	1.5
229.04997	1.6
239.03513	0.8
243.02954	1.0
245.04573	3.3
255.03000	4.4
256.03555	1.0
257.04611	0.7
266.02081	0.7
271.02457	1.5
272.03217	0.5
273.04025	2.5
283.02466	2.0
300.02756	2.2
301.03549	100.0
302.03891	8.6
385.44357	0.4
447.09296	3.1
459.05731	0.6
471.47888	0.4
475.02615	0.4
477.06750	66.8
478.07120	9.1
565.69135	0.4
623.12183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1841
Annotation	Lethedioside A
Peak:m/z	Relative Intensity
59.01373	0.6
61.98826	1.1
71.01376	0.3
71.43385	0.2
72.99305	0.1
83.01398	0.1
85.02972	0.1
87.00899	0.1
88.98819	0.5
89.02445	0.4
96.96017	0.1
97.02976	0.1
99.00893	0.2
101.02447	0.3
108.02118	0.2
109.02987	0.1
111.04494	0.2
116.92866	0.1
125.02444	0.1
151.00414	0.1
151.36295	0.1
187.49292	0.1
191.05573	0.2
201.11391	0.1
202.02747	0.2
209.11868	0.7
219.06567	0.2
230.02216	1.1
231.02869	0.2
243.02957	1.3
244.03789	1.5
245.04103	0.1
256.03815	1.0
257.04575	0.1
258.01700	4.2
259.02176	0.4
271.02475	2.5
272.03210	3.3
273.03665	0.3
283.02481	15.9
284.03040	2.3
285.03830	0.1
293.04834	0.1
294.05307	0.3
295.06155	0.8
297.03979	0.2
299.09305	0.2
304.02280	0.3
309.07864	0.2
311.05582	0.4
312.06415	0.5
323.09253	0.3
327.08740	100.0
328.09076	11.4
369.09845	0.3
498.95435	0.1
620.31799	0.2
621.18219	0.4
621.32300	2.1
622.32416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2575
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.01671	0.6
50.35527	0.7
61.98814	2.7
69.40610	7.2
72.76859	0.6
73.39874	0.6
78.95905	6.5
80.04821	0.7
98.19824	1.6
119.74765	0.7
131.66730	0.6
139.17276	0.7
152.99567	3.8
170.07304	0.7
186.58296	0.8
209.11896	1.8
244.22215	0.8
255.23224	5.3
363.12033	1.4
391.22510	1.0
401.13940	1.6
409.23196	1.0
415.15649	3.3
416.16449	12.5
417.16776	2.2
429.17017	1.0
430.17816	2.1
431.18820	1.6
444.15665	1.3
458.17105	1.1
459.18265	100.0
460.18707	17.2
470.32370	0.9
473.19778	15.7
474.20627	6.4
475.20895	0.9
485.16177	1.0
501.19211	2.3
503.17435	3.5
517.18903	0.9
518.11603	0.8
518.19580	45.2
519.19977	8.4
532.21173	8.7
533.21893	92.9
534.22235	18.6
544.21350	1.2
587.23206	6.9
588.23938	1.0
619.25781	85.4
619.34949	3.1
620.26093	20.6
620.35382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98833	4.1
69.42307	2.9
71.01383	1.0
73.02949	0.3
81.76315	0.3
85.02995	0.3
87.00883	1.2
88.98805	0.7
89.02454	1.2
95.01420	0.3
99.00912	0.3
101.02453	1.2
105.81998	0.2
109.02962	0.5
113.02457	0.5
115.05529	0.3
119.05078	0.3
125.02471	1.0
131.05011	0.3
135.04631	0.4
136.00845	0.2
143.05034	0.9
145.03008	0.4
147.04578	0.5
149.02458	1.0
151.00389	0.7
151.04047	0.4
159.04504	0.9
161.02502	0.6
169.01317	0.3
170.80342	0.3
171.04564	1.3
171.10303	5.4
172.10680	1.8
173.02455	1.3
173.10748	0.4
177.46567	0.3
183.04529	0.3
185.02443	0.4
187.04045	2.7
189.01956	0.7
191.03506	1.2
191.05505	0.5
197.02379	0.3
198.03195	0.3
201.05583	0.4
203.03493	1.4
209.11859	4.0
210.12202	2.3
211.04021	0.6
213.01985	0.8
215.03516	5.5
216.03809	0.4
217.01442	1.0
224.94669	0.3
226.02663	0.5
227.03563	0.6
227.12857	0.5
229.01395	0.9
229.05157	0.4
230.02158	1.9
231.02986	1.5
239.03476	2.0
241.01486	0.8
242.02071	0.6
243.02995	0.8
244.03708	0.6
253.09244	0.4
255.02953	1.6
256.03528	0.4
257.00922	1.0
258.01682	13.3
259.02463	100.0
260.02774	7.5
271.02539	0.4
272.03256	0.7
273.04028	3.3
282.01709	2.4
283.02478	23.3
284.02722	2.2
285.04047	0.5
287.02264	0.4
299.02029	0.6
301.03543	6.0
302.03986	0.6
323.05554	0.4
325.20236	0.4
341.06653	7.9
342.07108	0.7
343.08215	2.9
357.22650	0.3
359.07730	41.3
360.08075	3.9
575.31012	0.5
618.34717	0.4
619.11072	8.7
619.20947	0.5
619.29218	1.8
620.11206	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27670	0.5
56.21354	0.4
56.76262	0.4
57.03453	2.1
57.03691	0.4
62.06992	0.5
66.78023	0.5
79.01895	0.7
81.03423	0.6
83.05010	0.6
85.06593	3.2
87.04507	1.6
93.03451	0.6
95.05039	1.0
97.03012	0.5
97.06604	4.3
98.19849	0.9
107.05046	1.0
109.02978	0.6
109.06605	1.9
111.04540	17.3
111.05315	0.9
111.08179	5.4
113.06106	4.8
121.06600	1.4
122.03789	0.6
123.04549	1.6
123.07339	0.9
123.08180	11.4
125.06111	1.5
135.04559	0.6
135.08185	0.8
137.06163	0.8
139.07709	0.6
141.09267	0.9
147.08192	0.5
149.06111	0.9
151.04025	1.3
155.14439	0.6
162.04567	0.4
163.07697	0.8
163.11357	0.5
164.08481	1.5
165.05563	1.5
165.09259	2.6
166.02754	0.8
167.07179	4.9
170.86493	0.5
173.06046	0.4
175.03970	0.6
175.07552	0.9
175.11330	0.9
177.09155	0.8
179.10799	1.0
183.07883	0.4
189.09239	0.5
191.03468	1.0
191.07172	1.1
191.10825	3.4
191.14493	0.9
193.05074	0.7
193.08687	3.0
193.12381	6.8
195.06670	0.8
203.07123	0.7
205.12363	0.5
206.09473	0.6
207.06650	1.6
207.10245	0.5
207.13858	0.5
208.07451	2.5
209.08183	5.5
210.08498	0.5
217.08632	0.7
217.12283	1.1
219.06723	3.4
219.10123	0.7
220.07407	0.7
221.08186	12.2
222.08984	2.3
233.08194	4.8
233.11847	0.8
234.09007	2.6
235.09773	22.1
235.13298	5.7
236.10327	2.7
247.09749	2.8
249.11319	0.9
259.06149	0.9
261.07532	0.5
261.11450	2.1
261.18643	2.1
263.09308	0.6
264.09988	0.7
273.18445	0.8
275.12991	0.6
277.14340	0.7
279.12384	100.0
280.12735	9.1
285.11444	0.8
289.14352	0.9
291.15948	1.1
293.13956	5.3
294.14218	0.6
301.10886	1.0
302.11603	1.7
303.12372	4.6
303.16013	7.0
304.16486	0.8
305.13968	0.8
305.17493	0.7
317.14120	0.6
317.17514	1.0
319.15460	0.9
327.19601	1.0
331.19208	0.7
336.15720	1.6
337.76102	0.5
343.15836	1.0
343.22800	2.4
344.23056	0.6
347.18466	1.4
354.12650	0.5
357.17120	0.8
359.18668	1.1
369.20560	0.5
371.18652	18.2
372.18869	2.4
373.20294	0.6
375.18079	6.9
376.18622	1.4
385.19730	0.7
385.23901	1.4
403.21307	0.7
426.24405	1.1
427.24625	1.1
429.22830	41.9
430.23132	5.7
443.24304	1.9
444.25015	1.3
445.25922	12.4
446.26254	1.5
461.25296	0.9
476.24881	0.6
477.83316	0.5
571.40289	2.4
572.40594	0.7
591.99097	0.6
617.41339	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	617.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.8
59.01373	0.7
61.98840	0.6
66.38692	0.6
70.96151	1.8
85.06604	5.4
87.04557	0.7
97.02934	0.8
97.06605	7.6
99.77554	0.6
109.06599	1.2
111.04544	18.1
111.08180	10.4
113.06103	6.1
121.06643	0.7
123.04530	1.3
123.08202	2.0
125.06075	3.7
125.09753	1.1
137.06134	1.2
137.09750	1.5
139.07663	0.9
149.09700	1.1
151.04025	1.4
155.14334	0.7
165.05603	1.1
165.09227	0.9
167.07196	0.8
177.09203	0.7
179.07135	1.2
191.10809	2.3
191.14391	1.1
193.08690	5.3
203.14406	0.7
205.12354	1.1
207.06665	1.1
207.10376	0.8
207.13960	1.7
209.08217	2.0
219.06630	1.1
219.10321	0.7
221.08192	6.9
222.08929	3.3
233.08159	1.6
233.11824	1.3
235.09752	2.8
247.09746	2.6
249.11334	5.1
261.15356	0.7
261.18564	2.6
263.12885	0.6
263.45007	0.6
273.18433	0.8
275.09381	0.7
275.12640	0.7
275.27664	0.6
287.13040	1.0
289.14413	1.5
290.15390	1.1
291.15988	1.3
293.13974	20.8
294.14359	1.7
303.12628	0.6
303.15967	0.7
305.14075	0.8
317.17630	2.3
327.19672	2.1
331.19220	1.5
343.15485	1.7
343.22742	4.4
345.17090	3.4
350.17270	0.7
361.20190	2.0
367.60013	0.6
369.20560	0.9
373.20023	0.8
375.18024	3.6
376.18411	0.7
380.81839	0.7
385.20160	2.8
385.24561	3.1
387.22192	0.8
389.19745	1.5
412.62198	0.7
429.22833	100.0
430.23132	15.7
430.28583	1.3
443.24384	15.8
444.25107	3.2
445.26019	8.3
446.26395	1.7
457.26059	1.5
459.27722	3.4
461.25580	1.0
475.26907	0.8
571.40283	1.8
617.41943	7.8
618.41626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19383	0.2
55.01885	0.2
57.03449	0.4
58.00588	0.3
59.01381	5.8
61.98827	1.1
69.03458	0.2
71.01383	5.0
71.05018	0.2
71.72153	0.2
72.99303	0.5
73.02944	0.8
80.02680	1.0
81.03452	0.9
83.01389	0.6
83.05030	3.2
84.02177	0.5
85.02946	1.3
87.00884	0.8
88.98853	0.2
89.02451	5.0
93.03454	0.3
95.01388	0.5
95.05027	0.4
96.96021	0.2
97.02984	0.3
97.06638	0.4
101.02453	4.4
102.02794	0.2
109.02950	0.4
109.06625	0.2
113.02477	2.3
116.92889	0.2
119.03530	1.9
123.04548	0.5
123.08155	0.2
125.02460	1.5
125.06068	0.5
125.09695	0.9
126.02802	0.2
127.11292	1.9
131.03539	0.4
135.08150	0.4
137.02458	0.5
143.03534	0.5
145.05061	0.2
147.11874	0.4
149.04608	0.3
151.04062	0.4
153.09198	0.5
161.02388	0.3
161.04585	1.6
163.11311	2.7
165.12865	1.7
171.10283	100.0
172.10622	5.1
179.05615	1.2
181.12361	0.4
187.04051	0.2
188.33360	0.2
191.05614	0.3
191.10834	0.8
197.10164	0.2
197.11888	0.4
199.13425	0.4
201.11253	0.4
201.89221	0.2
209.11836	88.5
210.12170	6.3
211.13347	0.5
225.11325	0.2
227.12885	12.1
228.13216	0.7
235.08228	2.7
236.08530	0.2
245.08199	0.2
253.09270	8.1
254.09636	0.4
259.02499	0.2
275.20178	1.3
289.07153	0.7
293.20996	0.4
310.58145	0.2
345.20447	0.2
363.21643	0.3
401.94226	0.2
407.19211	2.0
408.19199	0.2
445.20688	1.3
455.26468	7.7
456.26978	1.0
558.66400	0.2
581.29248	0.3
599.30835	0.3
617.09790	0.3
617.30865	0.9
618.30389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28999	0.2
55.01865	0.2
57.03450	0.4
58.00606	0.3
59.01084	0.3
59.01380	4.2
61.98841	0.9
63.70651	0.1
71.01382	4.0
71.01759	0.3
72.99316	0.4
73.02945	0.7
78.95914	0.1
80.02690	0.7
81.03471	1.1
83.01391	0.7
83.05034	3.7
84.02185	0.6
85.02956	1.2
87.00893	0.6
89.02448	4.0
89.47350	0.1
95.01396	0.2
95.05073	0.4
96.96043	0.1
97.02950	0.2
97.06593	0.3
99.00889	0.3
99.04491	0.2
101.02457	4.0
109.02933	0.3
109.06604	0.3
113.02477	1.9
119.03527	1.2
123.04465	0.2
124.04963	0.1
125.02474	1.2
125.06114	0.2
125.09726	1.1
127.11319	1.7
131.03554	0.2
133.05119	0.2
135.08192	0.5
137.02469	0.2
143.03525	0.6
145.05083	0.4
147.11864	0.2
151.00488	0.2
151.04044	0.4
153.09221	0.5
161.02457	0.2
161.04597	1.3
163.11310	3.1
165.01884	0.2
165.12857	2.0
165.51068	0.1
171.10287	100.0
172.09148	0.3
172.10632	4.4
179.05566	0.8
181.12369	0.6
185.57991	0.2
187.04181	0.2
191.05757	0.2
191.10820	0.5
197.11815	0.3
199.13359	0.3
201.11314	0.3
209.11841	86.5
210.12187	5.5
210.14131	0.1
211.13353	0.3
227.12891	12.0
228.13144	0.8
235.08208	3.4
253.09286	7.6
253.13351	0.2
254.09625	0.5
258.01886	0.2
259.02667	0.2
270.36502	0.2
275.20230	0.7
289.07117	0.5
293.21063	0.3
343.83487	0.2
345.20996	0.2
363.21860	0.4
407.19299	2.1
437.25250	0.2
445.20840	1.1
455.26492	4.4
456.26599	0.4
463.21664	0.2
482.71799	0.1
532.87170	0.1
550.56305	0.1
581.30249	0.3
592.51117	0.1
599.08936	0.2
599.30463	0.2
617.09497	0.3
617.30310	1.0
618.31158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91388	0.3
54.61728	0.3
55.75311	0.3
56.82963	0.3
59.01373	1.3
61.98829	3.6
64.26011	0.3
70.47192	0.6
70.47615	1.0
71.01381	1.2
83.01386	0.3
83.05005	0.5
87.00857	0.3
88.98807	1.8
89.02465	0.8
101.02467	0.7
101.90446	0.3
109.06631	0.3
113.02477	0.7
117.03459	0.4
119.03491	0.4
125.02453	0.9
125.09738	0.7
137.02469	0.4
143.05054	1.1
145.03046	0.5
147.04541	0.5
149.02475	0.5
151.00357	0.9
151.03963	0.4
159.04494	0.7
161.02409	0.5
163.04007	0.5
171.04498	1.3
171.10289	8.2
172.10635	0.9
173.02477	0.6
175.04045	0.6
183.04520	0.3
187.04018	2.9
188.04494	0.4
189.01923	0.5
191.03503	0.9
191.05602	0.7
197.11800	0.4
199.04008	0.8
200.01187	0.3
201.01958	1.0
202.02455	0.3
203.03493	0.8
207.10277	0.9
208.10561	0.5
209.11870	4.7
210.12123	0.4
211.13451	0.7
215.03514	5.6
216.03925	0.6
217.01407	1.1
225.11295	0.5
226.11719	0.4
227.03575	1.0
227.12848	0.9
229.01366	1.4
230.02208	3.9
231.02899	1.6
243.02975	4.4
253.09213	0.9
255.02995	2.1
257.00909	3.0
258.01685	12.1
259.02457	100.0
260.02802	8.2
271.02499	8.1
272.02982	1.2
273.04163	0.4
281.00937	0.6
297.04062	0.5
299.01978	36.5
300.02393	3.2
301.03537	6.6
302.03754	0.8
323.05679	0.5
339.05069	0.7
341.06653	2.8
343.04684	0.4
357.06207	3.0
358.06717	0.8
359.07773	7.8
360.08011	0.7
394.13214	0.3
555.08771	0.5
555.28455	1.1
559.05194	8.7
560.05817	1.6
573.37091	0.4
599.08319	1.0
616.29999	0.4
617.09583	4.5
617.31519	3.0
618.09625	1.0
622.97632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57429	0.6
52.96714	0.6
57.22585	0.6
59.01379	100.0
60.01715	1.3
61.98833	3.1
69.05257	0.6
71.70594	1.4
72.99319	0.6
76.94239	0.7
90.10055	0.6
90.97143	1.0
100.39964	0.6
104.02126	0.6
109.58659	0.5
115.02518	3.1
117.00467	9.3
118.00468	0.6
132.98230	6.1
141.00458	1.3
156.99976	0.8
157.03491	1.1
159.01514	56.6
160.01642	6.1
174.99261	36.9
175.99545	1.1
192.95834	1.7
196.52008	0.6
198.62627	0.7
201.02571	11.8
202.02760	1.0
217.00302	84.5
218.00673	2.5
232.98352	1.7
248.95894	1.0
256.98492	0.6
259.01544	0.8
274.99350	5.7
275.99567	0.8
290.97305	4.1
298.99310	0.8
301.02664	25.1
302.02820	5.2
317.00409	56.7
318.00592	6.4
332.98203	21.7
333.01624	0.5
333.98361	1.2
334.60010	0.6
348.96143	0.8
359.01440	5.4
374.99252	31.3
375.99393	1.7
390.97168	1.2
432.98044	1.2
459.01682	6.3
460.01703	1.3
473.97845	0.9
474.99304	31.0
475.06168	1.5
475.99753	4.9
490.97195	1.5
514.97571	0.8
555.00391	1.2
556.00879	0.7
556.98419	37.3
557.98676	9.7
590.56934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01369	3.0
61.98851	0.7
69.03445	0.7
71.01382	2.6
71.71574	0.6
79.62505	0.8
81.03468	2.0
83.01367	2.7
85.02961	0.7
89.02462	2.4
93.03476	1.7
93.36626	0.5
95.01376	0.7
95.05013	2.9
97.02969	5.8
101.02443	1.2
107.05025	1.0
108.02212	1.3
109.02967	23.6
110.03286	0.8
111.61127	0.5
113.02458	0.7
116.92850	1.4
119.05051	21.1
119.05903	1.1
120.05338	1.2
121.02950	3.0
122.03715	0.9
123.04536	15.1
124.04903	0.7
125.02472	14.9
125.03412	0.8
128.98820	0.5
133.03053	0.5
133.68430	0.5
135.04573	1.6
137.02464	12.5
138.03221	0.6
139.04062	3.7
145.02946	1.9
146.03748	0.9
149.02457	4.5
150.03206	1.2
150.12367	0.6
151.04047	7.7
153.66058	0.5
158.00616	0.5
159.04529	2.2
160.05299	1.0
161.02435	1.1
161.04794	0.8
161.06039	3.8
162.03226	1.2
163.04028	29.4
164.01195	4.1
164.04332	1.1
165.01956	4.2
166.02736	0.8
167.03502	5.5
173.02408	0.6
173.06148	0.7
175.03961	2.2
175.07715	1.3
179.03500	5.4
185.06149	0.7
187.04012	5.3
188.04816	4.0
191.05659	1.5
197.04489	1.1
199.07693	0.7
201.05566	0.8
202.06361	2.1
203.07156	12.4
204.07507	0.6
205.05063	8.3
212.04805	0.6
217.08763	0.9
221.08212	3.7
227.07149	1.8
230.05818	1.2
231.03278	0.9
245.08195	17.1
246.08546	1.8
257.20627	0.7
261.04141	0.7
265.72928	0.6
271.06207	0.7
283.04742	0.6
289.07187	100.0
290.07516	8.0
313.09354	2.0
323.13461	1.6
324.13696	0.7
325.09308	3.4
325.13959	1.4
591.40161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98523	0.2
69.83157	0.6
97.77120	0.1
98.69290	0.1
112.94396	0.1
134.47394	0.1
149.66978	0.1
150.03307	0.3
161.02472	0.1
165.05591	0.3
180.04179	0.1
183.13956	0.3
195.06657	0.3
203.03448	0.2
227.12917	0.8
238.49379	0.1
375.38177	0.1
389.18182	0.5
402.03317	0.1
419.17184	0.3
567.22772	0.3
590.24371	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	613.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27335	0.8
56.11931	0.7
57.03444	0.8
58.00586	2.2
59.01381	35.3
61.98808	1.7
63.72719	0.8
64.28839	0.9
70.12946	4.3
71.01386	20.5
72.99306	2.0
80.72247	0.9
83.01379	1.5
85.02977	4.3
89.02459	24.5
95.01418	2.3
101.01798	1.2
101.02454	16.8
102.35903	1.0
109.02987	1.1
113.02462	10.0
119.03517	9.1
119.04974	1.2
125.02460	5.6
125.49288	0.8
137.02454	0.8
137.85913	0.8
149.02489	1.2
151.00375	1.6
151.04041	1.0
154.61595	0.9
161.02507	1.7
161.08205	1.1
165.01897	1.0
167.03532	1.3
178.99852	1.2
181.87077	0.9
191.05638	2.0
255.39139	0.9
269.04453	1.0
285.03915	1.3
287.05487	2.1
289.07224	2.4
296.51334	0.9
313.90979	0.9
323.13477	100.0
324.13849	6.7
407.07941	1.1
451.11215	1.4
613.17200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3763
Annotation	Synaptolepis factor K1
Peak:m/z	Relative Intensity
55.39552	0.9
70.08391	2.1
70.08790	1.2
72.62106	0.7
83.05032	1.4
85.06599	1.4
85.62717	0.7
87.04521	1.3
111.04538	8.3
123.04547	2.0
123.08206	2.4
125.02460	1.5
129.45451	0.6
137.02357	0.8
137.06102	1.0
139.04033	0.9
151.04008	7.4
152.04683	0.8
166.02721	1.1
167.03546	2.2
168.04225	1.4
169.80801	0.7
179.03586	1.8
179.07184	0.8
179.10851	0.7
180.04315	4.7
180.08119	0.8
193.08737	2.2
195.06650	8.7
203.07133	3.6
207.06668	1.8
208.07408	3.2
209.08138	1.4
219.06665	1.6
221.08200	100.0
222.08911	27.0
223.09372	1.9
233.08301	3.7
235.09750	6.8
236.10234	0.8
247.09804	1.2
247.13377	0.8
277.14297	1.4
287.12839	0.9
289.14597	1.3
305.14270	0.8
306.14700	6.2
307.14783	0.9
317.21402	0.9
321.17050	2.0
345.20691	0.8
359.18591	9.5
360.19394	15.0
361.20178	12.0
362.20374	1.5
376.18872	9.9
377.19275	1.6
411.25269	2.1
415.24829	2.8
416.25592	0.9
427.24716	1.1
433.25888	3.2
434.26767	0.8
450.47342	0.7
455.24490	0.9
483.27200	1.6
533.24408	0.7
595.36499	5.3
613.37555	68.8
614.37878	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
60.99290	0.5
61.98832	7.5
63.27763	0.4
70.56213	0.8
70.56609	0.5
71.01397	1.2
78.95909	0.4
80.91679	0.6
81.03505	0.4
85.02956	0.7
87.00852	0.5
88.98824	3.2
91.78160	0.3
93.03470	1.1
95.05054	1.2
101.02457	0.6
108.02174	1.0
109.02969	23.3
110.03297	1.2
113.02472	0.4
121.02984	1.7
122.03731	0.5
123.04540	12.6
125.02482	1.1
128.03564	0.5
133.03006	0.9
135.04538	1.9
137.02504	0.8
145.03003	0.7
147.04561	0.8
148.01616	0.5
149.02467	1.3
150.03255	1.8
151.04028	9.3
159.04536	0.8
161.02496	2.5
162.03255	0.7
165.01930	0.7
165.05615	1.2
166.02693	0.5
169.02989	1.0
173.02551	0.6
177.01944	7.3
181.05209	0.4
186.37849	0.5
187.04036	1.1
189.01945	14.2
189.03622	0.9
190.02673	2.9
191.03526	2.7
191.05695	1.5
193.04984	0.5
195.06651	1.4
197.02452	0.8
198.03096	0.6
201.01984	0.6
202.02718	1.6
203.03484	3.1
205.05182	0.5
209.11885	0.5
214.02814	1.6
215.03500	9.6
216.00713	1.4
216.04129	0.8
217.01440	12.2
217.05046	1.2
218.02037	1.3
219.03006	4.0
225.01962	0.9
229.01382	3.2
229.05037	0.8
231.03008	3.9
234.01752	1.4
239.03558	1.2
240.04211	0.5
241.01355	1.0
241.05089	0.9
242.02229	9.1
243.02951	7.9
244.03267	0.7
245.04498	1.0
246.01613	0.9
247.09538	0.5
253.05087	0.5
255.03033	1.9
257.04578	1.5
265.05060	0.6
269.00897	7.6
269.03738	0.6
270.01422	0.7
274.01184	6.8
275.01389	0.6
277.05219	0.7
279.06653	0.8
281.04559	0.8
284.03308	3.5
285.03827	0.7
293.04449	0.5
295.06131	0.6
297.04053	0.5
307.06113	1.1
309.04028	4.2
323.05630	4.2
324.06247	1.9
333.04074	0.7
335.05557	0.7
337.03561	1.3
338.03903	0.5
339.05203	1.3
341.06668	34.7
342.07022	4.2
349.07306	1.9
350.07562	0.5
351.05057	2.7
352.05981	1.1
367.08078	2.3
379.04654	3.7
384.04910	0.8
393.06171	34.5
394.06540	4.8
451.10245	1.7
461.08615	3.9
462.09039	0.9
489.08179	0.4
503.09827	100.0
504.10159	17.7
504.15848	0.4
505.63449	0.4
565.20782	0.8
613.13654	44.0
614.13983	9.7
617.67969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.397
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80665	0.2
71.73218	0.6
99.08161	0.3
105.83591	0.3
107.05058	1.0
110.69789	0.2
121.06581	0.3
123.04517	1.8
125.06111	4.1
125.09753	0.3
126.06497	0.3
129.29945	0.2
137.09761	0.6
145.78647	0.2
149.02493	0.3
151.04039	7.9
152.04727	0.9
162.24287	0.3
163.07851	0.3
165.05602	0.6
166.02733	1.2
177.01961	1.4
178.02675	0.2
179.03520	2.2
180.04301	9.8
181.04634	0.6
189.09264	0.3
191.03609	0.3
191.10783	0.6
205.12440	0.4
207.06564	0.4
207.10287	1.8
209.08252	0.4
217.08685	2.9
219.10214	0.4
221.08223	1.5
222.08955	1.8
223.09705	0.8
233.08168	0.7
235.09763	100.0
236.10449	26.2
237.10852	1.6
238.65041	0.2
247.09746	3.0
249.11298	3.4
261.11292	0.9
303.15976	0.4
306.14676	0.5
317.17563	0.4
335.18387	0.4
357.20816	0.4
359.18460	0.4
373.20349	3.6
374.20996	21.9
375.21548	4.6
390.20493	0.8
397.23538	0.3
413.26807	0.6
431.27878	1.0
456.25204	0.7
465.30249	0.5
467.27878	1.5
509.28778	1.2
551.33673	1.0
579.36884	0.9
593.38470	3.5
594.38812	1.0
611.39691	36.2
612.39990	9.3
612.50299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68875	0.3
54.46320	0.3
56.84339	0.3
57.03435	0.6
57.96787	0.4
59.30418	0.3
69.43058	2.1
69.43482	1.5
69.93266	0.3
71.05019	0.7
74.86778	0.3
79.05540	0.4
99.08158	1.2
101.06080	0.8
107.05044	0.8
109.06637	0.4
118.84538	0.3
121.06574	0.4
121.25262	0.4
123.04528	1.7
125.02480	0.9
125.06095	6.8
125.09734	0.6
127.07596	0.4
135.08179	0.5
137.02432	0.5
137.09738	1.0
138.88493	0.4
139.04062	0.4
139.07617	0.4
149.02374	0.4
151.04021	8.3
152.04790	1.2
155.07068	0.8
163.04045	0.4
163.11307	0.5
164.04803	0.6
165.05559	0.8
166.02718	1.0
167.03496	1.9
168.04207	0.6
169.08708	0.3
177.01906	1.7
177.09305	0.3
179.03474	2.3
179.10898	0.6
180.04294	9.9
191.10818	1.1
193.08670	0.5
195.03041	0.4
197.11815	0.5
205.08530	0.3
205.12325	0.9
207.06526	0.5
207.10260	1.8
209.08224	5.0
217.08687	3.1
219.06648	0.4
219.10252	1.0
221.08177	1.9
222.08971	2.4
223.09689	1.5
231.10217	0.6
233.08247	2.0
235.09753	100.0
236.10452	29.9
236.12506	0.2
237.08195	0.5
237.10892	2.0
247.09763	3.2
248.10318	0.5
249.11308	4.0
250.11615	0.4
261.11234	1.1
289.14453	1.1
291.19418	0.4
303.15915	0.9
305.14093	1.9
306.14667	3.6
317.13913	0.8
317.17545	0.6
329.21439	0.5
335.18546	2.9
345.21021	0.6
373.16519	0.4
373.20190	9.8
374.20938	17.5
375.21521	4.3
387.28775	0.6
390.20410	5.3
391.21030	0.9
397.24142	0.6
411.25110	0.5
413.26898	3.0
414.26984	0.7
419.15778	0.4
423.32690	0.5
431.28009	11.8
432.28534	1.8
441.34036	0.8
456.25314	2.4
457.25381	0.5
465.30176	2.2
485.32474	1.6
523.30426	0.6
527.33923	0.4
565.38867	0.6
579.36560	0.5
593.38495	7.7
594.38940	2.1
611.39648	51.8
612.39984	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
71.35284	0.6
71.35631	0.8
97.02992	0.5
99.08163	1.3
101.06087	0.5
107.05058	0.6
111.04578	0.4
121.02857	0.3
123.04553	1.7
125.02520	0.9
125.06112	5.6
125.09720	0.6
137.02499	0.6
137.09714	1.8
139.03983	1.0
146.79141	0.4
151.04028	7.5
152.04771	1.2
163.11339	0.6
165.02049	0.4
165.05629	0.4
166.02728	0.8
167.03517	2.7
168.04324	1.2
177.01970	1.5
179.03452	1.9
179.10881	0.4
180.04300	8.9
191.10835	1.0
193.08795	1.1
195.06694	0.5
197.11856	0.5
205.12444	0.4
207.10260	2.2
209.08185	2.8
217.08763	3.4
219.10318	0.7
221.08322	2.0
222.08974	1.7
223.09697	1.1
231.10170	0.5
233.08124	1.5
235.09760	100.0
236.10461	29.8
237.10847	2.0
243.10077	0.4
247.09749	3.0
249.11307	3.1
261.11307	0.8
273.18579	0.5
277.14447	0.4
289.14316	0.8
302.13791	0.4
305.13901	1.1
306.14731	4.6
307.15060	0.6
317.17590	0.6
331.22705	0.6
335.18701	1.5
359.18546	0.4
373.20172	8.0
373.24390	0.6
374.20996	15.8
375.21689	6.5
376.22171	0.7
390.20480	9.4
391.20959	1.5
413.26865	2.9
414.27481	0.5
431.27969	6.8
432.28268	1.0
456.24820	2.4
457.25809	0.9
465.30066	1.2
485.32635	1.0
509.28745	0.6
523.31281	0.5
530.20886	0.4
565.38818	0.8
579.37213	0.7
593.38507	6.8
594.38898	1.8
611.39667	47.3
612.39990	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	611.1636
Annotation	Huangqioside E
Peak:m/z	Relative Intensity
57.03455	2.5
57.80362	0.5
59.01376	2.0
63.02401	2.2
65.00325	11.0
71.01389	1.5
71.71436	0.7
71.71798	0.6
72.99309	0.7
78.46192	0.5
81.03481	0.8
83.01394	7.3
85.02923	0.7
85.37840	0.5
93.03490	0.6
95.01421	1.6
96.85134	0.5
97.02934	0.5
107.01411	20.4
108.02251	0.5
109.02991	4.1
111.00909	0.5
119.05043	1.8
121.02946	1.2
123.00894	1.5
123.04530	6.8
124.01670	2.8
125.02467	51.6
126.02809	1.8
131.01419	2.1
133.02953	2.6
135.04555	3.1
137.02502	3.0
139.00424	0.7
139.04004	1.4
145.02908	0.7
147.04558	1.4
149.02467	8.1
150.03236	6.4
151.00395	100.0
151.04016	11.0
152.01199	8.0
153.01967	18.5
154.02254	0.9
155.05173	0.6
161.02490	1.4
163.00397	1.1
163.04037	2.0
164.01125	0.8
165.01945	2.0
166.02687	0.8
167.03497	1.9
169.01431	5.1
171.04498	0.7
173.06169	0.8
174.03270	0.8
175.00398	11.0
175.04036	7.7
176.01060	1.7
177.01942	9.9
177.03513	0.8
178.99881	63.8
180.00162	2.9
181.01442	11.9
182.01772	0.7
185.06166	1.2
189.01994	0.9
189.05614	1.8
191.03510	1.5
193.01447	1.6
193.05008	0.7
195.02954	2.9
197.06108	0.6
198.03224	0.9
199.04030	6.7
200.04523	0.8
201.02010	1.3
202.99904	0.8
205.01463	1.8
211.04156	0.8
212.04897	0.9
213.05576	1.3
215.03362	1.3
216.04207	0.9
217.05087	4.9
227.03491	1.5
228.04301	0.7
229.04990	0.6
240.04338	1.1
241.05078	7.4
242.05531	0.9
243.02925	1.0
255.03033	1.0
256.03732	1.9
257.04504	2.3
257.72397	0.6
259.06116	2.2
265.05014	0.7
267.02975	0.8
275.05600	11.6
276.05869	1.2
284.03268	7.5
285.04047	88.2
286.04376	8.6
297.04068	1.0
297.09769	2.3
298.04773	0.7
299.05649	3.8
302.04349	1.9
303.05112	82.7
304.05438	7.3
309.04123	1.6
313.05673	5.3
314.06461	0.7
323.07761	1.9
327.05252	3.1
331.06693	0.7
341.05133	12.0
342.05594	1.6
343.06699	2.1
374.04779	0.9
431.09778	1.2
437.11118	1.1
447.09323	13.2
448.09512	1.8
449.10898	88.3
450.11194	10.6
465.10397	9.7
466.10699	0.9
522.51135	0.6
581.34283	0.5
611.16199	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	609.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35743	0.4
55.01876	0.5
57.03450	0.9
58.38230	0.4
59.01381	11.6
61.98832	22.5
69.03449	0.9
71.01378	9.5
71.05002	0.7
71.40254	0.8
72.99320	0.6
73.02948	1.2
78.98592	2.0
79.95746	2.7
80.96522	18.8
81.03478	0.8
83.01395	0.9
83.05089	0.4
85.02964	2.6
85.06608	1.2
87.00893	1.1
87.04523	0.7
88.98795	0.4
89.02464	4.3
94.98094	4.1
95.01426	0.8
97.02960	1.2
99.00889	0.6
99.04545	0.6
101.02449	5.2
106.98129	0.7
109.02976	0.5
111.04524	1.4
113.02464	2.5
113.06106	1.6
114.01522	0.4
119.03518	1.9
121.06577	0.5
122.97569	0.9
123.04572	1.3
125.02486	3.0
125.09745	2.7
127.04006	0.5
134.03737	1.2
134.97592	1.0
135.04546	2.2
136.05336	0.9
137.02452	1.7
137.06091	1.4
137.09740	5.7
138.06490	0.4
148.99150	1.4
150.03212	0.5
151.00374	0.6
151.04002	0.5
151.37006	0.4
152.98669	1.4
153.09229	0.7
163.08830	0.4
164.01289	0.5
164.98668	4.0
165.01955	0.7
165.12836	0.9
178.02773	0.4
189.12743	0.5
191.05675	0.5
193.05066	1.5
193.08665	0.7
197.11852	0.5
201.05591	0.5
206.99629	0.8
207.13899	4.6
208.14236	0.5
211.13396	1.2
217.01482	0.6
221.11880	0.8
225.00722	5.0
255.02959	0.9
255.27675	0.4
259.17072	0.7
271.02457	1.6
275.13126	0.4
275.16467	2.4
277.18036	0.8
281.32980	0.4
283.02457	0.6
289.07211	0.5
299.04617	0.9
300.02756	2.6
301.03464	1.6
317.21149	0.9
322.14264	1.7
359.22327	0.9
429.26468	48.8
430.26892	6.9
599.73096	0.5
609.25940	17.6
609.32977	100.0
610.26056	3.3
610.33948	18.5
616.98523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40512	0.5
57.03440	1.4
58.00586	1.2
59.01381	27.3
60.31301	0.5
61.98839	4.0
63.45503	0.4
69.60591	3.5
69.99499	0.5
71.01386	17.4
72.99315	1.1
75.00895	0.7
77.12858	0.5
83.01398	1.9
85.02949	3.8
87.00883	1.1
89.02451	14.9
93.03476	0.8
95.01414	1.3
95.05034	0.7
95.16782	0.5
97.02932	0.6
99.00933	0.6
101.02457	10.9
107.08210	0.5
109.02971	3.5
113.02474	5.4
118.53539	0.5
119.03516	5.8
121.02906	0.7
123.04530	3.3
125.02470	9.1
131.03621	0.6
137.02490	2.9
139.07675	9.2
139.51407	0.5
140.07988	0.9
151.03979	1.6
157.08749	0.7
161.02461	2.5
161.06076	1.0
163.03958	0.6
164.01111	1.5
165.01913	1.7
167.03552	0.8
175.04062	0.6
179.03502	0.8
179.05664	0.7
187.03993	1.1
188.04781	0.5
191.05641	4.9
192.06000	0.6
202.06279	0.7
203.07123	1.2
205.05084	1.3
207.14162	0.5
245.08127	2.5
287.05612	0.7
289.07178	13.1
290.07593	1.2
319.13989	100.0
320.10898	0.4
320.14319	10.4
419.64737	0.5
608.85699	0.5
609.23761	0.7
628.46924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66644	0.3
57.03448	0.8
59.01388	2.8
61.98833	1.8
71.01389	2.6
71.72499	0.6
79.01906	0.4
85.02946	0.5
89.02468	1.3
101.02447	1.1
111.04536	2.6
113.02502	0.4
121.06592	0.5
123.04546	1.0
123.08189	0.9
151.04045	3.8
165.05577	1.3
177.01924	0.8
177.09213	0.4
179.03564	0.3
180.04327	0.8
191.10814	1.6
193.04982	0.4
193.08733	0.8
203.07169	1.9
203.08899	0.4
207.06631	4.7
208.07391	3.0
209.08180	1.2
209.11818	0.7
217.08723	0.6
221.08200	57.9
222.08813	9.7
233.08218	0.8
235.09758	24.5
236.10011	1.9
245.72359	0.3
247.17067	0.9
271.02374	0.5
281.40073	0.4
285.84045	0.4
289.14398	1.2
290.14911	0.5
291.15997	2.8
292.16733	0.8
300.02621	1.4
301.03287	0.6
301.14493	0.5
303.16074	1.2
305.17459	2.1
317.17270	0.5
319.15530	2.8
360.19373	0.8
360.63034	0.4
361.20187	5.8
362.20770	1.2
397.13272	0.4
429.26456	16.1
430.26907	2.4
540.26068	0.9
574.51825	0.4
609.32965	100.0
610.33331	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	609.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.1
58.00592	0.9
59.01380	15.6
70.37027	4.8
71.01392	7.6
72.99323	2.1
75.00863	3.1
83.01394	3.7
85.02953	2.8
88.98833	2.1
89.02467	5.8
91.50555	0.9
93.03484	1.8
95.01398	1.8
97.02956	3.7
101.02458	4.1
109.02972	12.8
109.13737	0.9
113.02476	3.0
119.03523	1.9
121.02979	3.0
123.04560	7.2
125.02463	100.0
126.02782	3.7
133.02979	2.0
135.04514	2.1
137.02444	7.6
139.04050	2.7
139.07674	3.0
144.08577	1.0
147.04636	1.1
149.02493	3.1
151.04013	5.4
157.08733	1.1
159.04517	1.8
161.02461	23.4
161.06078	2.9
162.03062	2.1
163.04004	1.0
164.01161	10.4
165.01939	14.0
166.02266	1.1
167.03439	1.8
173.06032	1.2
175.03976	2.9
177.02000	1.1
179.03499	2.6
187.04027	2.3
188.04753	1.7
191.05640	14.0
197.04564	7.5
201.05638	1.0
202.06389	1.2
203.07166	5.6
205.05055	2.0
211.04080	1.0
217.05054	0.8
225.05725	1.4
231.07001	1.2
239.17253	0.9
243.02748	1.2
243.06688	1.0
245.08142	6.7
246.08578	1.1
269.04459	1.6
287.05630	12.7
288.05963	1.6
289.07193	38.6
290.07535	4.1
303.04968	1.8
305.98669	1.0
319.08414	7.9
319.13968	28.6
320.08392	1.2
320.14297	2.3
439.06793	1.4
609.14453	1.4
609.23315	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	609.1479
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
51.32605	0.3
59.01373	0.4
61.77490	0.4
61.98830	0.4
63.02395	1.3
65.00319	2.6
69.82195	2.4
70.12723	0.3
78.10781	0.3
83.01386	1.7
91.01911	0.4
93.03477	1.1
94.73980	0.3
105.83820	0.4
107.01410	6.8
107.48294	0.3
108.02199	1.0
109.02964	4.2
119.01424	0.7
121.02968	6.0
125.02430	1.8
135.00916	0.9
147.00964	0.4
148.01726	1.4
149.02481	1.2
151.00389	25.6
152.00787	0.7
157.06627	0.5
159.04549	1.0
161.02461	0.5
163.00397	6.3
164.01051	0.6
165.01886	0.4
167.04987	0.5
169.01448	1.8
173.06050	0.5
175.04001	0.6
178.99875	14.0
180.00209	0.7
183.04553	0.8
187.03961	1.0
189.05486	0.5
190.99994	0.6
192.00620	0.7
193.01434	0.6
199.04001	1.0
201.05505	0.8
203.03537	0.6
211.03987	2.5
215.03436	0.6
217.05035	0.6
226.02701	0.8
227.03479	3.0
229.05043	2.2
239.03450	1.1
243.03000	5.7
244.03491	0.4
245.04626	3.2
254.02206	1.0
255.02972	17.7
256.03430	2.7
257.04697	0.4
259.06146	0.5
266.02295	0.7
271.02463	29.3
272.02808	3.5
273.04059	3.0
283.02444	3.3
284.03043	0.6
285.04037	1.0
299.02014	0.4
300.02759	50.5
301.03510	76.8
302.03839	7.6
464.09177	0.5
465.09805	2.6
507.11179	1.0
609.14740	100.0
610.15039	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	609.1472
Annotation	Rutine
Peak:m/z	Relative Intensity
55.77850	0.5
59.04404	0.6
65.00325	1.6
66.51895	0.5
83.01392	1.2
91.01921	0.5
92.23666	0.6
95.89859	0.6
96.35713	0.6
97.74030	0.5
101.14387	0.5
107.01394	3.1
108.02191	1.5
109.02964	1.6
112.45615	0.5
121.02973	2.2
125.02444	0.6
135.00862	0.8
148.01695	1.2
151.00391	14.4
152.32961	0.6
162.50922	0.5
163.00383	2.7
164.01094	0.6
169.01436	0.7
178.99852	7.3
180.00331	0.5
183.04468	0.7
190.99997	0.8
193.01358	0.7
211.03947	1.5
215.03456	0.8
216.04231	0.6
226.02652	2.1
227.03506	3.9
229.05072	1.1
230.55800	0.6
231.03156	0.6
243.02997	13.5
244.03290	0.9
245.04593	1.5
254.02144	2.4
255.02974	34.8
256.03372	3.5
271.02460	67.8
272.02808	7.3
273.04007	1.4
283.02338	1.4
299.01987	1.3
300.02756	100.0
301.03427	40.5
302.03815	2.9
347.01535	0.7
362.56870	0.6
421.15024	0.6
609.14734	77.9
610.15027	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	609.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05434	0.3
59.01371	1.2
60.99309	16.4
61.98825	1.4
69.46012	1.8
69.46442	1.8
71.01402	0.9
88.98816	100.0
89.99149	1.1
125.02464	0.5
138.27419	0.4
151.00456	0.5
191.05705	0.5
211.13380	2.4
243.03096	0.6
255.02872	0.5
255.06659	0.7
261.03955	0.8
271.02344	0.7
300.02756	1.1
303.08905	0.7
311.44012	0.4
321.28552	0.4
397.13556	1.4
415.14755	0.8
609.14911	1.3
609.29364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33303	0.3
59.01383	4.6
60.99308	16.5
61.98833	2.7
64.63951	0.2
65.33103	0.2
65.59521	0.3
65.66418	0.2
69.54144	2.2
71.01394	4.5
71.28805	0.2
72.99314	0.4
73.02943	0.9
73.86470	0.3
78.26704	0.3
78.99901	0.2
81.03455	0.3
83.01398	0.6
85.02947	1.2
87.00892	0.6
88.98817	100.0
89.02453	3.1
89.99138	0.9
93.03484	0.3
95.01411	0.5
97.02962	0.5
99.00900	0.4
101.02467	3.0
107.01427	0.3
109.02988	0.6
113.02435	1.5
117.77060	0.3
119.03554	1.0
120.88736	0.3
125.02435	1.7
139.04109	0.3
143.03508	0.7
148.89163	0.3
151.00389	1.0
151.03989	0.4
161.04585	0.6
177.01947	0.6
178.99915	0.3
179.05608	0.5
183.13956	1.6
189.02003	0.5
189.18967	0.2
191.05653	1.1
197.11845	0.6
198.11928	0.3
209.11829	0.3
211.13406	18.5
212.13805	0.6
235.08156	1.2
243.03004	1.4
255.03064	1.1
257.18835	0.3
271.02402	2.7
272.02884	0.5
287.07828	0.3
296.89005	0.3
300.02753	5.2
300.44125	0.2
301.03497	2.5
305.08829	0.5
305.17126	0.3
341.06763	0.5
380.55115	0.3
381.10379	0.3
397.13498	10.4
398.13925	0.4
415.14578	4.7
419.11227	0.4
446.56171	0.3
505.33923	0.6
519.11884	0.4
549.29248	0.5
586.74280	0.3
609.14941	6.0
609.28308	1.3
610.15210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.3
59.01385	7.1
59.89526	0.8
61.98834	96.7
63.02390	1.1
64.79626	1.0
65.00328	17.2
65.88577	0.9
71.01394	5.4
71.72496	1.2
73.02959	1.2
75.00883	1.5
79.62533	0.9
81.03505	1.0
83.01393	9.2
85.02965	2.4
87.00887	2.2
89.02460	4.5
93.03459	2.0
95.01410	2.6
97.02998	0.9
101.02432	4.5
107.01405	25.4
109.02991	2.2
111.00871	0.9
113.02469	2.0
116.92865	1.7
121.02995	1.2
123.00944	1.7
124.01688	2.8
125.02469	56.4
125.80841	0.8
126.02806	1.6
137.02478	3.2
139.04065	0.8
146.03812	2.5
149.02448	1.5
150.03244	2.2
151.00394	100.0
152.01201	10.3
153.01945	7.2
159.04555	1.6
163.07477	0.9
165.01961	10.3
167.03586	3.0
169.01454	4.7
172.05370	1.4
173.06093	1.2
174.03232	7.7
175.03864	2.0
175.07637	4.1
177.02010	3.0
178.99881	19.1
179.03276	1.1
181.01439	2.9
183.14095	1.0
185.02452	0.8
185.06133	1.4
186.06857	1.4
187.04080	3.3
187.07576	2.0
188.04659	0.9
191.05641	4.0
200.04776	5.8
201.05475	1.4
201.09222	1.4
202.06403	3.0
203.07159	18.7
204.07489	1.9
205.01294	1.2
211.07671	1.1
211.13399	12.0
213.05582	1.3
214.06508	1.0
215.03552	1.5
215.07137	9.7
216.04254	2.1
216.07817	1.8
217.05046	2.4
217.08609	1.6
220.19977	0.8
226.02901	0.8
227.07277	1.0
229.05132	1.7
229.08694	13.4
230.09113	0.9
232.03781	1.0
233.08168	1.1
240.04224	1.2
241.05002	0.9
242.06085	0.8
243.02937	5.2
243.06728	2.6
244.03726	4.0
244.07422	1.4
245.08212	2.0
246.09035	5.5
247.09700	2.1
253.08801	1.3
254.05402	1.4
255.03008	3.1
255.06619	5.1
271.02444	6.2
271.09589	1.3
272.06900	8.5
273.07666	31.4
274.08041	2.5
284.03256	4.3
295.09695	1.2
300.02740	9.5
301.03641	2.8
311.09058	1.0
313.14874	1.0
316.02115	1.3
329.08920	1.4
337.10806	2.1
353.09897	1.3
363.08902	5.8
381.09802	45.8
382.10190	7.4
393.15472	3.3
397.13480	9.2
399.10846	49.1
400.11185	6.8
415.14679	2.7
419.13492	46.0
420.13858	5.8
431.09555	1.5
432.10056	1.7
477.94305	0.9
527.15759	5.8
545.16614	51.8
546.16943	10.9
547.28278	1.0
593.22321	1.0
609.14923	11.3
609.28564	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	608.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39317	0.9
57.03442	6.6
59.01368	5.0
61.98832	86.6
63.02408	1.8
65.00324	18.0
66.59531	0.9
69.43193	9.1
71.01384	3.5
75.00902	1.0
83.01388	8.4
85.02946	2.0
88.98825	1.3
89.02467	1.6
91.61275	0.8
95.01419	2.0
98.04499	0.9
101.02444	2.7
107.01401	23.4
109.02980	1.8
113.02505	1.1
116.92879	2.5
117.92902	1.1
121.02980	1.1
121.35375	0.8
123.00883	0.9
123.04568	1.4
124.01675	3.3
125.02460	57.2
126.02788	2.8
137.02481	2.4
146.03748	1.7
149.02417	1.1
149.48450	1.0
150.03226	1.9
151.00389	100.0
151.99413	1.0
152.01201	11.5
153.01974	7.4
163.38686	0.9
165.01968	9.4
167.03500	3.1
169.01457	4.0
172.05319	2.5
173.06094	1.2
174.03259	7.4
175.04059	1.8
175.07611	4.8
177.01912	3.3
178.99846	17.1
179.01291	1.3
181.01477	4.7
185.06096	2.0
187.04021	3.8
187.07684	1.9
188.04697	1.1
189.05524	1.3
191.05597	2.8
199.04083	2.2
200.04771	6.3
201.05502	1.6
201.09216	1.9
202.06299	2.7
203.07153	18.5
203.09041	1.1
204.07478	1.0
205.01494	1.6
211.07637	1.6
211.13397	3.2
213.05492	0.9
215.03606	2.3
215.07097	10.1
216.04387	1.4
216.07851	1.6
217.05092	1.5
217.08652	1.5
223.89470	1.0
227.07076	1.5
229.08662	13.5
241.05106	1.2
243.02985	6.1
243.06660	2.0
244.03700	4.6
244.07352	1.1
245.08189	2.4
246.08925	4.8
247.09558	2.6
253.08571	1.2
255.02979	1.7
255.06535	6.2
256.03769	1.0
256.07025	1.3
263.12988	1.1
271.02505	3.3
272.06802	10.3
273.07654	31.7
274.08023	2.8
277.08475	1.1
279.06506	0.9
284.03314	6.0
294.09048	1.1
295.09967	1.3
300.02805	3.6
301.03516	2.4
311.09457	1.4
336.09579	1.3
337.10815	2.5
343.10681	1.0
353.10321	1.9
363.08875	6.3
371.11340	1.0
381.09802	47.2
382.10104	6.0
393.15579	1.6
397.13446	2.2
399.10849	55.8
400.11261	6.8
419.13477	38.7
420.13889	6.1
527.15833	4.8
545.16602	48.2
546.16888	8.6
603.40155	1.2
609.14929	5.0
609.29333	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	607.313
Annotation	5-Acetoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
55.01871	0.4
57.03434	1.2
59.01381	9.9
59.78133	0.4
61.98835	21.4
63.96254	0.5
69.03484	0.6
71.01389	7.2
71.72590	0.8
73.02948	1.1
75.00870	0.6
78.95934	0.6
80.96515	0.5
81.03483	0.6
83.01385	1.0
83.05051	0.7
85.02945	2.1
85.06595	1.4
87.04533	0.5
88.98833	0.7
89.02454	4.2
93.03445	0.5
95.01436	0.7
99.00891	0.7
101.02464	5.2
109.02999	0.5
111.04524	2.7
113.02464	1.8
113.06100	1.6
113.35118	0.4
116.92836	0.5
119.03503	1.1
121.06619	1.7
123.04549	0.8
125.02463	2.2
125.09736	2.8
135.04514	1.4
135.08174	0.4
137.02454	1.5
137.06195	0.6
137.09738	6.2
138.10086	0.4
151.00371	0.5
151.11290	0.5
165.01965	0.9
178.99934	0.4
179.19048	0.4
181.12337	0.4
191.05644	1.2
193.12424	0.4
205.12440	0.4
207.13951	3.6
209.11859	1.2
212.17979	0.4
215.10686	0.5
273.14789	0.5
275.16589	1.1
277.18137	0.5
291.16107	0.6
317.21030	0.5
359.22409	0.5
397.13528	0.7
427.24771	0.6
429.26483	7.7
430.26810	1.2
455.22754	0.5
495.25784	1.6
545.16821	1.1
545.24561	0.4
563.34290	0.6
599.22998	0.7
607.31281	100.0
608.31726	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	607.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
58.00594	1.5
59.01382	31.8
61.98838	0.8
65.18584	0.6
65.91312	0.6
65.93195	0.6
67.86970	0.6
69.03455	2.0
71.01389	18.7
71.20793	1.1
72.99313	30.5
73.02959	3.2
75.00877	40.2
81.07022	0.6
81.31030	0.5
83.01380	1.4
83.05035	7.5
85.02960	6.7
87.00886	3.5
87.04523	1.7
89.02456	12.7
95.01373	0.7
97.02979	0.6
99.00875	1.4
101.02457	13.9
103.00385	1.5
107.05043	5.0
107.08681	0.7
109.06603	2.0
113.02465	6.1
119.03520	4.4
120.05811	1.7
123.04555	0.9
125.02456	2.1
131.03485	1.7
133.06612	3.7
135.04561	1.4
137.02400	1.0
143.03508	1.6
149.06078	1.8
157.05119	1.8
159.08122	0.7
160.08612	0.7
161.02454	0.9
161.04596	3.3
161.09738	6.7
163.07639	0.7
163.11336	1.6
174.72290	0.6
175.04059	0.8
175.11293	3.7
177.12869	1.7
179.05605	4.3
181.76512	0.6
185.09731	1.6
189.09233	3.7
189.31067	0.6
191.05655	4.2
193.12416	0.6
203.10785	2.3
207.10324	2.9
221.06656	2.5
221.11818	5.4
237.06143	1.0
239.12885	56.0
240.13255	4.4
245.65724	0.5
252.77168	0.6
265.10791	31.9
266.11102	3.5
272.94843	0.7
283.11871	100.0
284.12210	9.7
289.07138	1.8
325.12946	2.2
445.17285	2.1
446.17682	0.7
447.07281	0.6
452.80560	0.6
607.22473	69.8
608.13281	1.0
608.22778	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	607.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03442	3.3
58.00596	1.2
59.01088	1.3
59.01381	23.5
59.64751	0.6
60.99308	0.7
61.98824	0.5
65.00331	0.6
69.03458	4.2
71.01383	18.5
71.55644	1.0
71.55994	0.7
72.99314	27.9
73.02953	8.6
73.99688	0.5
75.00880	40.4
81.03467	0.7
83.01399	4.3
83.05036	9.7
85.02962	8.0
87.00890	4.2
87.04539	2.1
88.98813	1.8
89.02451	9.3
93.03430	0.9
95.01407	2.0
95.05057	0.7
97.02962	3.7
99.00880	2.3
101.02457	14.9
103.00413	2.7
107.01389	1.0
107.05048	7.6
107.08689	0.7
109.02940	1.0
109.06606	2.0
109.27931	0.6
113.02465	8.5
115.04015	0.6
117.01979	0.8
119.03525	2.9
120.05811	1.6
123.04499	1.1
124.01685	0.7
125.02452	3.3
129.05508	0.6
131.03505	2.6
133.03040	0.5
133.06607	4.9
135.04550	1.0
137.02466	1.6
139.03967	0.9
143.03528	1.7
143.08736	0.7
149.06091	2.4
151.00375	2.4
157.05069	1.8
157.06453	0.5
159.08084	0.9
161.02460	1.1
161.04562	6.9
161.09731	8.4
163.07626	0.8
163.11250	1.5
164.01057	0.9
165.01953	1.1
171.06635	1.1
173.09698	0.7
175.11304	3.6
177.01932	1.1
177.12854	1.8
178.99913	2.7
179.05582	3.9
185.09645	1.4
189.09219	4.9
191.05618	7.7
193.01517	3.5
193.03520	2.5
203.10822	1.2
205.01440	3.6
207.10220	2.3
221.06610	3.1
221.11815	6.9
223.09607	0.6
239.12878	48.3
240.13217	4.1
241.04884	0.6
243.03015	1.0
263.07620	1.0
265.10803	30.0
266.11087	2.7
283.11877	53.5
284.12170	4.3
285.04150	1.0
289.07050	1.3
316.02100	0.9
325.12946	2.3
329.10205	1.7
337.67429	0.6
344.12607	1.0
359.15009	1.4
387.10788	2.3
413.08969	2.9
427.15848	0.8
445.16635	0.9
493.55753	0.7
547.27716	0.8
607.22461	100.0
608.22821	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	607.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38163	0.6
57.03455	3.8
57.55363	0.7
58.00595	0.8
59.01381	29.8
60.01694	0.6
60.48539	0.6
60.99310	1.2
61.98826	1.5
62.28686	0.6
69.03461	2.1
69.72478	4.5
69.72869	1.0
71.01385	18.2
72.99313	32.5
73.02949	3.0
75.00880	41.5
83.01393	1.8
83.05036	7.9
85.02966	6.0
87.00884	2.9
87.04517	2.6
88.98811	1.6
89.02458	13.9
93.03458	0.9
95.01408	1.5
97.02982	0.9
99.00882	2.7
101.02463	11.9
103.00368	1.8
107.05040	4.9
107.08710	0.8
109.02939	1.3
109.06603	1.6
113.02460	8.5
119.03544	4.3
120.05814	1.6
123.04556	0.8
124.01708	1.2
125.02463	3.7
127.07684	0.9
127.40114	0.6
129.01936	0.7
131.03516	2.5
133.06609	3.9
137.02463	0.9
139.04018	0.9
143.03568	1.6
149.06100	1.2
151.00378	1.2
151.04019	1.4
151.23570	0.7
157.05099	1.5
159.04550	0.8
159.08061	0.9
161.02466	0.7
161.04538	3.1
161.09758	6.5
163.07628	0.8
163.11272	1.3
171.06615	1.3
175.04086	1.1
175.11240	3.7
177.01955	0.9
177.09264	0.9
177.12868	1.7
178.99959	0.9
179.05629	5.0
185.09784	1.6
189.09248	2.6
191.05615	5.0
193.01422	1.5
193.03523	0.6
195.06674	0.8
203.10776	2.0
205.01541	0.7
207.10258	2.1
221.06641	4.8
221.11783	4.2
221.13664	0.8
239.12888	61.2
240.13232	5.5
243.02975	1.3
245.79631	0.7
265.10809	25.5
266.11145	1.7
283.11871	100.0
284.12189	9.3
289.07159	2.4
325.12842	3.8
341.06912	0.9
387.10666	0.8
390.04782	0.6
401.18347	0.9
413.08432	1.9
427.15994	1.0
445.17386	7.0
446.17548	0.9
459.63980	0.8
520.91882	0.7
540.32910	0.7
575.14111	0.9
607.22461	60.6
608.22821	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	607.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32595	0.9
57.03443	5.3
58.00585	1.7
59.01088	1.4
59.01377	26.6
60.99285	1.1
61.98819	1.8
69.03455	2.8
69.78194	5.9
71.01385	25.2
72.99313	27.7
73.02952	2.6
75.00877	48.1
81.03468	1.4
83.01382	2.5
83.05030	9.1
85.02954	21.2
87.00883	3.5
87.04507	1.5
88.98800	4.6
89.02451	11.0
89.95011	0.9
93.03442	1.3
95.01392	8.7
96.95983	1.4
97.02954	1.0
99.00912	2.2
101.02449	8.8
103.00375	3.4
107.05038	6.3
109.02981	2.2
109.06606	1.9
113.02472	30.6
114.02818	1.0
119.03506	2.8
120.05869	1.7
123.04521	1.6
124.01661	2.4
125.02480	5.5
125.70853	1.1
131.03513	1.1
131.50606	1.0
133.06630	3.6
135.04510	1.9
139.04031	3.1
143.03506	1.6
149.06119	2.1
151.00377	3.2
157.05144	1.0
161.04602	4.6
161.09727	7.6
163.11296	2.6
173.04494	1.2
175.11276	3.5
177.01938	2.0
177.12868	1.7
178.99884	2.2
179.05623	2.3
182.04034	3.4
185.09709	2.2
189.09242	3.4
191.05632	11.1
193.01396	2.8
199.03949	1.1
203.10696	1.3
207.10294	2.3
209.11852	1.9
212.05280	1.3
217.01248	1.3
221.11772	5.6
237.06107	4.8
239.12888	61.7
240.13261	4.2
241.01363	1.8
265.10791	24.3
266.11136	1.4
270.01764	1.7
271.02454	2.1
283.11868	73.1
284.12268	5.5
289.07175	1.7
299.01904	3.6
301.03378	1.7
316.02136	2.1
325.12982	1.2
331.05109	1.1
341.06732	2.7
375.11404	1.9
387.11005	1.9
401.18103	1.3
413.08493	1.7
415.23398	2.1
427.15967	7.1
445.17133	8.3
463.14346	1.2
505.15173	1.6
547.27124	2.0
607.14130	3.9
607.22443	100.0
608.13654	1.1
608.22968	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	607.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88869	1.7
53.74186	1.5
57.67509	1.5
58.48552	1.8
59.01382	11.6
61.98828	8.5
69.53312	12.0
69.53735	5.1
71.01392	10.0
71.21750	1.6
73.02929	2.1
83.01412	2.3
85.02967	4.3
87.00900	2.9
89.02460	7.6
97.02949	2.0
99.00906	2.8
99.92617	2.2
101.02467	5.2
104.83896	1.5
107.01416	2.6
109.02960	3.9
111.00899	1.9
113.02476	4.9
116.92841	5.7
121.02994	4.1
123.04540	3.2
125.02453	7.3
126.11379	1.7
128.90227	2.9
135.04536	2.2
137.02516	2.5
147.04553	2.4
149.02470	4.6
150.03247	8.2
151.00368	10.4
151.04169	3.1
158.03735	3.3
158.93907	5.2
159.04507	7.4
160.05319	22.6
161.06036	7.6
163.04042	6.6
164.04765	5.4
173.06082	3.7
175.07658	21.4
176.07925	2.2
177.01825	2.1
177.05530	8.8
178.06335	4.7
178.99857	5.1
185.65887	2.0
189.01976	2.2
191.05598	5.4
193.01424	6.7
193.08688	1.9
209.11821	2.7
217.05164	2.1
219.06645	2.3
243.02937	5.7
255.02988	7.4
261.03867	2.4
271.02454	20.6
272.02917	3.7
283.11765	3.7
285.04089	3.4
299.01953	3.1
299.99585	1.6
300.02777	35.2
301.03485	15.5
319.09836	1.8
329.13940	100.0
330.14279	13.7
341.06561	5.4
359.14874	2.6
413.08801	10.4
431.09970	14.7
461.07190	2.0
463.08838	17.1
464.09125	4.1
505.09735	13.0
506.10382	2.7
545.12622	3.9
547.11395	2.2
547.27393	7.2
607.12701	8.7
607.22119	3.0
608.12921	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	607.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33212	0.5
57.03442	1.7
59.01385	7.3
65.00328	1.8
69.03468	1.2
71.01395	5.2
71.70818	0.6
72.99307	8.2
73.02947	1.6
75.00883	9.9
83.01388	2.8
83.05023	1.1
85.02978	2.8
87.00881	0.8
87.04523	0.8
89.02466	3.9
93.03440	1.0
95.01397	0.7
97.02964	0.8
98.55111	0.6
101.02457	3.1
103.00405	0.7
107.01363	2.9
107.05010	1.2
109.02983	2.9
109.06620	1.0
113.02450	3.2
119.03555	1.1
123.04591	0.9
123.82625	0.5
124.01668	2.3
125.02469	5.5
127.07681	6.9
130.71260	0.6
131.03438	0.7
131.05019	1.7
133.02982	1.5
133.06601	0.8
135.00894	0.8
135.04562	1.4
137.02426	1.2
139.04012	2.6
143.03482	0.6
143.04755	0.7
147.04491	0.8
149.06076	0.6
151.00381	7.1
151.02904	0.7
151.03979	3.6
155.05038	0.9
157.03008	0.8
161.02483	1.0
161.04601	1.0
161.09799	1.1
165.66640	0.6
171.04572	0.7
171.05255	0.7
171.06660	7.3
173.06097	4.5
174.03256	0.8
175.04047	10.5
175.11327	0.7
176.04375	0.6
177.01978	3.4
178.99832	2.8
179.05643	1.3
189.05556	1.3
189.09265	1.0
191.03667	1.1
191.05624	4.1
193.01443	2.2
193.03516	1.6
193.05096	1.6
199.04024	14.7
199.05725	1.2
200.04344	0.8
201.01898	1.2
205.01411	2.5
217.05070	5.7
219.02858	1.0
221.11771	1.6
239.12906	23.1
240.13213	1.7
243.02982	45.6
244.03334	2.7
245.04602	0.7
261.04031	100.0
262.04407	8.3
265.10828	5.2
283.11877	10.4
289.07013	1.1
290.07422	0.6
301.09326	1.1
325.13104	1.5
359.14868	0.7
375.07220	3.1
387.10941	1.7
401.14429	1.1
413.08762	2.1
427.16132	1.3
435.09351	41.6
436.09680	5.4
445.17294	3.5
448.21600	0.6
548.56360	0.7
590.22009	0.7
607.22534	14.9
608.22394	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.8
59.01367	1.4
63.02401	0.6
65.00317	1.1
65.32389	0.3
71.01370	0.9
72.99307	1.0
79.16792	0.3
83.01402	0.8
85.02967	0.4
89.02440	0.6
98.20628	0.9
99.04536	0.4
101.02470	0.8
107.01418	2.9
108.02197	1.2
109.02963	1.2
113.02471	0.8
121.02967	2.1
125.02460	0.6
135.00917	0.8
148.01715	1.3
149.02460	0.5
150.99156	0.7
151.00388	12.3
152.00784	0.5
161.04593	0.3
163.00397	2.4
164.01125	0.7
169.01418	0.6
178.99886	6.7
183.04471	0.6
187.03914	0.4
192.00681	0.4
193.01424	0.4
201.05530	0.7
203.03645	0.3
211.04056	0.6
215.03416	0.6
216.04251	0.6
221.11841	0.5
226.02776	1.3
227.03487	2.1
229.04977	0.5
239.12871	1.8
243.02998	7.6
244.03461	1.0
245.04565	1.1
254.02272	1.9
255.02982	23.9
256.03342	2.5
263.66342	0.3
265.10855	0.8
271.02463	48.8
272.02911	4.9
273.04025	1.4
283.02539	2.0
283.11899	2.2
299.01987	0.8
300.02753	100.0
301.03470	48.2
302.03885	3.6
343.04431	0.3
445.07663	0.4
463.08798	50.9
464.09128	5.8
505.09866	38.6
506.10214	5.6
545.12939	11.1
546.13214	1.8
607.13080	21.5
607.22546	4.8
608.13702	3.7
608.22821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41376	0.3
56.40458	0.3
57.03452	2.5
59.01375	4.0
63.02406	0.5
65.00329	1.6
69.03475	0.5
69.50117	2.4
71.01385	3.2
72.99310	3.7
73.02953	1.2
75.00877	6.6
83.01393	1.0
83.05050	1.5
85.02972	1.0
87.00889	0.7
87.04485	0.3
89.02455	1.6
95.01408	0.5
97.02970	0.7
98.20638	0.6
99.00878	0.3
101.02455	3.0
107.01417	3.4
107.05040	1.0
108.02192	1.1
109.02992	1.4
109.06635	0.4
113.02459	1.8
113.66288	0.3
119.03537	0.4
120.05811	0.3
121.02985	2.0
124.01701	0.5
125.02475	1.0
131.03508	0.4
133.06584	0.6
133.08377	0.3
135.00894	1.0
148.01718	1.3
149.02519	0.4
150.99168	0.6
151.00394	10.9
152.00786	0.5
153.01991	0.3
159.04480	0.3
161.02446	0.3
161.04587	1.1
161.05959	0.3
161.09743	0.9
163.00404	2.7
163.11278	0.4
164.01125	0.6
169.01492	0.9
173.06100	0.3
175.03998	0.5
175.11310	1.1
177.12869	0.6
178.99861	5.2
179.05602	0.6
183.04529	0.5
185.09726	0.4
187.04002	0.5
189.09181	0.7
190.99881	0.6
192.00682	0.5
193.01543	0.5
199.04100	0.3
203.03427	0.4
203.10873	0.3
211.03949	1.4
215.03549	0.6
216.04280	0.6
221.06821	0.5
221.11810	0.9
226.02753	1.2
227.03519	2.7
228.04146	0.3
229.04996	0.6
239.03465	0.4
239.12903	6.8
243.02977	9.1
244.03450	1.0
245.04543	1.2
254.02292	2.2
255.02988	25.3
256.03384	2.2
265.10809	4.2
266.02115	0.3
266.11206	0.4
271.02472	50.9
272.02933	6.0
273.03909	1.0
283.02380	1.9
283.11884	9.9
284.12274	0.7
299.02026	1.7
300.02765	100.0
301.03473	46.8
301.07217	0.5
302.03873	3.4
325.12817	0.6
343.04776	0.4
397.13556	0.3
413.09137	0.5
431.10052	0.5
445.07840	0.5
460.59256	0.3
463.08807	52.3
464.09137	6.6
464.15652	0.4
505.09851	40.5
506.10123	6.1
545.12970	11.1
546.13330	2.1
547.11511	0.3
583.84009	0.3
607.13055	22.3
607.22571	16.6
608.13361	3.9
608.22980	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	606.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57045	0.1
56.89106	0.1
58.53481	0.1
59.01376	0.5
61.98831	100.0
62.98537	0.2
69.38615	1.1
71.01385	0.4
78.95924	0.3
78.98623	0.2
79.95757	0.1
80.96514	0.9
83.77693	0.1
85.02981	0.1
85.21998	0.1
89.02481	0.1
91.78165	0.1
94.98100	0.3
97.03016	0.1
98.20654	0.2
101.02467	0.2
111.04552	0.2
113.02429	0.2
125.02464	0.1
150.33690	0.1
151.03989	0.1
152.99577	0.2
164.98706	0.2
191.05611	0.1
193.50912	0.1
209.11880	0.3
210.12222	0.1
211.13382	0.2
221.08276	0.2
225.00716	0.2
229.16084	0.1
233.08266	0.3
241.01346	0.1
260.52600	0.1
299.01859	0.1
364.16095	0.1
427.25125	0.2
575.26447	0.2
606.30432	0.2
607.23077	1.8
607.32208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61769	0.1
55.01905	0.1
56.57710	0.1
59.01371	1.2
61.98832	100.0
62.98520	0.3
71.01387	1.1
80.96552	0.3
83.01421	0.2
85.02956	0.4
85.06616	0.2
87.04546	0.2
89.02445	0.4
96.70838	0.2
98.20637	0.3
101.02457	0.7
111.04549	1.3
111.08154	0.2
113.02493	0.1
116.92952	0.2
125.02506	0.2
128.17506	0.2
132.37233	0.2
143.10832	0.3
152.99609	0.2
171.10251	0.2
191.05713	0.2
209.11848	0.7
211.13475	0.3
212.84251	0.2
221.08264	0.5
253.09360	0.3
305.17517	0.3
310.20734	0.2
311.22183	0.7
546.30212	0.2
606.30316	1.2
607.31482	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	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03452	26.2
59.01383	31.1
61.98833	100.0
70.68567	0.4
71.01389	5.5
71.72005	0.5
72.99336	0.4
73.02956	2.1
75.00864	0.5
78.95917	1.1
80.96502	0.5
81.03490	0.7
83.01397	1.1
85.02971	2.3
87.00890	0.7
88.98808	1.0
89.02472	1.9
95.01411	0.9
96.96027	3.6
96.96983	1.9
99.04536	34.6
100.04894	1.5
101.02456	10.7
101.03072	0.6
113.02464	2.7
119.03537	0.9
125.02460	13.8
126.02812	0.6
132.52638	0.5
137.02512	0.6
143.03555	1.7
143.21638	0.5
158.74687	0.5
161.04608	1.6
191.05583	1.1
208.07480	0.6
209.11873	1.5
237.91243	0.6
249.63687	0.5
253.09149	0.5
277.14511	2.0
278.14868	1.6
299.01773	0.6
319.88919	0.5
397.13474	0.5
399.23975	3.1
441.24939	5.8
442.25360	0.9
443.22833	1.1
481.28360	1.3
499.29120	0.9
543.28046	32.5
544.28491	6.3
606.31091	1.3
607.24646	1.6
607.33582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74098	0.5
57.03452	26.8
59.01384	31.0
61.98834	100.0
69.52173	5.2
71.01390	7.2
73.02969	1.2
75.00892	1.7
78.95927	0.9
81.03475	0.8
83.01408	1.8
85.02948	3.4
87.00909	0.9
88.98808	0.9
89.02473	3.1
95.01379	0.6
96.96034	6.0
96.96982	2.0
99.00919	1.0
99.04534	36.4
100.04918	0.7
101.02463	12.2
113.02451	2.8
116.92890	0.6
122.96600	0.6
125.02464	15.5
125.35493	0.7
130.74770	0.6
137.02493	0.8
143.03525	2.1
151.00409	1.2
159.03120	0.8
161.04619	1.7
191.05682	1.2
208.07457	0.7
209.11832	1.7
258.98413	0.6
264.13400	0.6
268.26614	0.6
277.14474	3.2
278.14871	2.5
310.20581	0.7
314.46362	0.6
399.23856	4.1
441.24933	6.8
443.22958	1.2
481.28284	1.7
499.28973	1.3
543.28094	35.9
544.28394	6.2
606.31708	1.3
607.23724	0.8
607.32471	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	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39183	0.3
55.01881	0.4
57.03457	1.8
58.00589	1.0
59.01382	40.6
60.01703	0.5
61.98835	7.7
64.56410	0.3
71.01389	24.0
71.05985	0.7
72.01715	0.5
72.99313	1.1
73.02957	9.3
78.95900	1.0
81.03492	0.4
83.01405	1.4
83.46552	0.4
85.02962	3.7
87.00884	0.8
87.74337	0.3
88.98782	0.3
89.02459	26.0
90.02779	0.7
95.01388	0.6
96.96033	4.2
96.96986	1.5
97.02963	1.3
99.00898	20.5
99.04540	1.2
100.01231	0.6
101.02461	13.3
113.02475	4.8
115.03973	0.7
119.03510	1.8
122.63657	0.3
125.02485	3.0
131.03551	3.4
149.04591	5.2
159.10268	0.7
161.04619	1.3
191.05644	4.9
194.80727	0.3
209.11832	0.3
221.06557	0.4
227.12830	0.5
251.16533	0.5
277.87625	0.4
279.19717	0.3
281.96716	0.4
290.48764	0.3
311.09589	0.4
413.25409	0.5
438.67529	0.4
509.68289	0.4
543.27728	1.3
545.29730	1.6
561.33331	0.9
587.31122	2.3
588.31146	0.6
605.31781	100.0
606.32184	19.3
606.42377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91337	0.3
56.98441	0.2
71.72698	0.4
97.30819	0.2
105.34702	0.3
106.06637	0.4
177.05638	0.4
199.95061	0.3
205.37297	0.3
310.30646	0.3
380.57263	0.2
394.12006	0.4
415.15631	0.7
416.16745	0.5
428.17062	0.3
429.17270	1.0
430.17944	1.2
443.19080	0.6
444.19952	0.6
456.15936	0.4
457.20901	1.8
458.17203	0.4
458.21359	0.6
459.17883	3.4
460.18442	0.6
461.23450	0.6
469.19940	0.3
470.21350	0.7
471.17584	1.2
472.18552	0.8
473.19711	4.4
474.20059	1.4
475.21902	0.5
485.18503	2.0
485.23917	1.1
486.20477	4.4
487.21179	1.7
496.18988	1.0
499.17661	2.1
500.18073	0.8
501.23752	3.4
502.23190	0.5
503.20273	0.4
511.21332	2.8
512.21796	0.8
513.19568	2.5
514.20099	8.5
515.20410	1.9
517.18610	0.8
518.19476	1.6
527.20483	0.4
528.21667	0.8
529.22430	100.0
530.22754	23.2
532.20752	1.8
533.21838	2.0
561.24982	1.0
573.21466	1.2
574.22284	0.5
605.23517	1.5
606.24487	0.7
618.75287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
58.32994	1.2
59.01376	21.8
61.98833	27.1
64.22800	1.1
69.03484	1.4
69.89597	5.4
69.90011	2.1
71.01388	11.6
72.99326	1.7
73.02953	2.1
78.95896	3.0
83.05050	1.7
85.02965	3.2
87.00893	1.3
89.02451	7.6
95.01417	2.2
96.63551	1.1
96.96027	5.5
101.02469	9.6
109.03024	1.8
109.06598	1.9
111.08184	15.2
113.02451	5.3
119.03509	2.7
124.01704	2.8
125.02467	5.6
129.35846	1.1
143.03546	1.4
151.00383	5.8
152.01152	3.3
152.99583	1.8
153.12878	1.6
161.02571	1.2
161.04584	4.3
169.12363	7.1
171.10280	1.5
177.01964	1.3
178.42166	1.2
179.05569	2.1
181.12280	1.2
183.13837	1.6
197.11844	78.2
198.12181	3.6
199.13364	5.8
211.13454	11.8
215.03529	3.3
227.07104	1.3
227.12881	2.9
239.25743	1.3
241.05081	3.5
242.02286	2.9
242.05243	1.5
243.02922	2.8
253.09299	51.9
254.09547	2.4
255.06621	24.7
256.07074	2.8
263.20081	3.5
269.08185	15.2
270.08923	14.2
273.18787	1.7
291.19629	23.4
292.19882	3.1
299.05634	2.4
309.20715	100.0
310.21115	12.5
314.07950	5.0
339.16058	4.1
347.18741	2.4
383.15005	75.6
384.15271	11.5
405.08170	2.9
406.17160	1.3
425.16168	3.5
526.05078	1.3
545.20349	4.0
545.29620	6.1
605.30750	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	603.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.8
61.98836	4.6
68.90670	0.5
69.56568	4.4
71.01393	1.1
72.52122	0.4
75.00894	0.9
78.43441	0.4
80.02659	0.8
81.03461	1.2
81.17070	0.5
83.05035	3.3
83.19488	0.5
88.98835	4.8
89.02460	0.6
97.47141	0.6
109.06592	0.6
125.09794	0.5
135.08130	0.5
144.59534	0.5
163.11322	2.7
165.12917	2.2
171.10287	7.7
174.61244	0.5
181.12360	0.5
185.11879	0.5
191.05679	1.0
191.10849	0.8
209.11848	100.0
210.12178	7.2
227.12920	10.7
228.13095	0.7
247.13380	2.0
265.14316	0.6
265.23459	0.5
287.02017	0.7
375.25568	0.8
399.18069	0.5
401.23312	0.5
449.25354	0.6
475.26749	1.2
493.28143	1.4
511.29407	0.9
603.30273	0.8
604.18506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98832	100.0
62.98529	0.4
71.01391	0.5
71.72543	0.2
73.41790	0.1
76.73931	0.1
78.95924	0.1
79.47780	0.1
82.66061	0.1
88.98857	0.3
93.03523	0.1
96.96037	1.0
96.96986	0.3
97.02988	0.2
101.02477	0.2
109.02961	0.2
121.03036	0.2
125.02541	0.3
137.02486	0.5
146.28886	0.1
149.02374	0.1
151.03972	0.1
165.01955	1.0
166.02307	0.4
179.03409	0.1
185.12112	0.2
191.05609	0.2
209.11870	0.2
233.08246	0.6
234.08540	0.6
235.08830	0.4
244.03793	0.1
273.04028	0.3
274.04492	0.2
288.45120	0.1
289.07150	0.2
299.01993	0.2
301.03580	1.1
302.03952	1.0
316.45065	0.1
360.19592	0.1
382.14651	0.1
391.08990	0.1
442.19214	0.1
513.70264	0.2
546.15546	0.1
604.36847	0.2
605.26526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04449	0.8
57.03444	1.0
58.05141	0.8
59.01382	58.5
60.99292	1.1
61.98832	16.5
67.01951	0.9
68.24181	0.9
70.49339	0.7
71.01391	6.4
71.72251	1.0
73.02961	2.0
75.00887	1.0
75.61040	0.8
76.70183	0.8
81.03460	2.6
83.01388	1.4
83.05050	2.7
85.02972	1.4
87.00864	1.6
88.98812	5.3
89.02457	5.9
95.05044	1.1
97.02974	2.5
97.06602	4.1
101.02468	7.7
109.06605	1.3
112.04068	0.8
113.02476	3.2
113.29988	0.8
119.03557	1.1
121.06602	0.9
123.04564	2.3
123.08164	2.2
125.06067	0.9
125.09721	5.7
125.67366	0.8
126.34195	0.9
135.04591	0.8
135.08153	1.5
137.09750	2.4
145.66016	0.9
152.44257	0.8
161.04619	2.6
163.11284	5.1
165.12904	2.0
171.10286	7.8
179.05676	1.2
181.12367	1.6
184.74544	0.9
185.11894	5.2
191.05542	1.1
191.10843	1.4
191.12962	0.8
191.14389	5.1
207.10345	2.6
209.11841	100.0
209.78445	0.9
210.12177	6.2
211.13371	2.2
217.16023	0.9
225.11334	3.1
227.12917	9.5
237.11365	2.4
245.19121	11.4
246.19460	1.4
253.06641	1.2
253.09276	24.2
254.09821	1.2
263.20181	2.5
265.14423	0.9
271.17032	2.0
289.06949	0.9
289.15622	1.0
289.18085	61.4
290.18472	6.1
307.19153	63.2
308.19470	6.0
309.20667	1.6
377.43881	0.8
475.26956	1.7
493.28122	1.5
543.27875	2.5
602.38159	0.9
603.10425	1.5
603.30640	1.9
632.95874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87845	0.5
60.53916	0.3
61.98833	100.0
68.88427	0.4
69.67868	1.4
69.68301	1.4
108.32599	0.3
125.03613	0.3
196.97031	0.4
293.44827	0.4
324.74133	0.4
396.10681	0.4
419.75842	0.4
460.64896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01753	0.2
55.79270	0.2
58.25052	0.2
59.01374	0.2
61.98828	0.7
63.02404	3.9
65.00327	7.3
66.00665	0.2
69.43890	0.8
69.44330	0.9
71.01373	0.2
82.94943	0.2
82.95435	0.7
83.01397	4.3
85.03044	0.2
88.98840	0.3
93.03474	1.9
95.01402	0.3
98.19823	0.3
107.01405	13.2
108.01716	0.4
109.02959	1.6
121.02972	11.8
122.03320	0.5
124.01669	0.3
125.02467	0.5
139.04057	0.8
145.02946	0.2
147.00925	0.3
149.02461	1.2
151.00392	44.2
152.00731	1.8
159.04526	0.4
161.02499	0.5
162.03221	0.2
163.00401	0.8
163.04048	0.5
164.01181	0.6
165.01906	0.5
165.97975	0.2
169.01439	2.6
171.04561	0.2
175.03976	0.4
178.99878	19.6
180.00211	0.6
183.04506	0.5
187.03975	0.7
189.05528	0.2
191.05537	0.3
192.00711	0.4
193.01425	0.7
199.03941	0.2
201.05614	0.6
203.03487	0.2
205.05098	0.3
211.04010	0.5
213.05542	0.2
215.03442	0.2
227.03488	0.6
229.05046	1.1
230.02150	0.2
231.03087	0.3
239.03485	0.3
243.02800	0.3
245.04530	1.0
255.03006	0.3
257.04544	0.6
258.01553	0.3
273.04001	2.8
274.04465	0.3
283.02203	0.3
299.01981	0.4
300.02563	0.3
301.03537	100.0
302.03882	8.8
420.89285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03438	0.6
58.00594	0.7
59.01381	40.2
60.01719	0.4
61.68841	0.3
61.98832	5.9
70.29082	0.9
70.29510	0.5
71.01388	16.8
71.04999	0.4
72.99326	1.4
73.02947	2.7
83.01389	2.2
83.05038	0.3
85.02450	0.4
85.02959	6.2
85.03445	0.4
85.07257	0.2
87.00895	1.3
88.98817	0.5
89.02454	9.4
89.02996	0.5
95.01402	1.0
97.02932	0.4
99.00909	1.3
101.02460	11.9
109.03016	0.4
113.02464	6.5
115.07671	2.3
119.03522	3.4
125.02489	0.9
135.05524	0.3
137.02432	0.4
139.04030	0.3
143.03551	0.6
151.04039	0.3
156.10323	2.0
158.11879	5.5
159.03029	0.9
161.04567	1.4
165.12874	1.4
168.14003	0.5
171.10278	2.8
172.10620	1.0
179.05647	0.7
183.13893	2.7
185.11911	0.5
191.05692	1.0
195.17519	0.3
209.11919	0.7
211.13445	2.3
212.13757	1.1
219.17592	0.5
228.16078	0.8
229.01457	0.4
230.01779	0.5
233.08183	0.4
237.18723	0.5
237.22299	1.0
257.00943	0.5
258.01199	0.3
273.03857	0.4
291.70697	0.3
320.17194	1.9
337.71667	0.3
362.26614	0.3
365.02948	0.8
366.03320	1.0
392.00955	0.6
486.27112	0.4
504.28149	0.7
539.16290	0.3
539.24664	0.3
542.33453	0.5
584.34583	3.4
585.35461	0.4
602.10205	3.7
602.35480	100.0
603.35895	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	602.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03449	0.8
58.00603	0.8
59.01382	41.8
60.01700	0.4
61.98837	3.8
67.59760	0.2
69.03461	0.4
69.67864	1.9
69.87690	0.3
70.26662	0.2
71.01388	16.6
72.01718	0.2
72.99331	1.4
73.02954	3.5
81.75436	0.2
82.03988	0.2
83.01404	2.2
84.25117	0.2
85.02959	6.2
87.00894	0.8
88.98825	0.7
89.02460	8.8
95.01424	1.3
95.01944	0.2
97.02952	0.5
98.19810	0.4
99.00890	1.3
101.02457	13.4
102.02785	0.3
109.02914	0.3
111.00902	0.4
113.02476	6.6
114.02849	0.3
114.09293	0.5
115.07672	3.0
119.03505	3.0
123.04547	0.4
125.02463	0.7
129.01903	0.3
131.03548	0.4
133.02942	0.3
140.10872	0.3
143.03474	0.6
149.04518	0.3
151.04073	0.2
156.10321	2.2
158.11890	6.9
159.03038	0.5
159.12099	0.3
161.04613	1.5
165.12865	1.6
171.10284	2.4
172.10593	0.8
179.05606	0.9
183.13936	2.6
185.11786	0.4
191.05672	0.5
195.17612	0.2
209.11830	0.7
211.13419	1.7
212.13763	0.9
219.17549	0.7
229.01355	0.3
230.01874	0.2
237.22243	1.2
239.16629	0.3
253.09201	0.4
262.21713	0.3
299.01743	0.3
320.17154	2.9
327.21979	0.3
362.27020	0.3
365.02618	0.4
504.27783	0.7
539.24481	0.3
542.33722	0.3
584.34497	3.0
585.35022	0.3
602.35480	100.0
603.35889	19.9
603.46082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31399	0.7
57.03442	5.1
59.01385	3.5
60.88366	0.7
61.98834	100.0
62.98551	1.3
63.99264	8.3
71.01386	1.0
73.02955	0.9
74.92374	0.7
82.98161	0.6
86.61347	0.8
91.60072	0.7
95.11433	0.7
99.04527	4.9
100.33190	0.8
101.02457	1.5
123.04559	1.6
125.02479	1.4
149.02478	2.1
150.03285	3.1
151.04030	0.9
161.02525	1.0
161.04576	8.2
165.05591	4.8
166.02769	1.2
179.03516	0.9
180.04247	1.3
181.05145	2.1
195.06625	4.1
217.05110	3.3
218.05829	5.7
247.09737	16.9
248.10178	1.1
257.08237	1.0
263.07788	5.2
263.10239	0.8
275.09247	40.1
276.09705	2.9
287.09375	2.9
305.10379	8.5
306.10818	0.9
317.10571	1.0
377.12592	1.0
395.13467	13.7
396.13828	1.5
437.14584	5.2
477.17932	1.1
539.17767	10.2
540.18378	1.9
586.27942	0.8
602.22382	0.8
603.19855	1.7
613.38904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98831	100.0
71.01406	0.5
71.71146	0.2
85.02970	0.3
85.12171	0.1
87.00902	0.3
89.02461	0.1
96.96032	0.2
97.02974	0.2
99.04509	0.2
120.99703	0.2
121.02967	0.3
125.02476	0.4
137.02434	0.2
137.44702	0.2
151.04039	0.3
161.02480	0.3
165.05669	0.2
186.11427	0.4
187.09749	0.2
191.05617	0.8
209.08177	1.1
243.03079	0.2
245.04601	0.2
444.77667	0.2
459.12811	0.2
491.19592	0.2
539.21667	0.4
602.26666	0.2
603.17957	0.3
603.26569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83833	0.8
51.69372	0.7
56.04639	0.7
57.03447	3.3
59.01388	1.7
61.98825	4.9
71.19706	1.8
83.05078	1.1
85.42719	0.8
95.05048	0.8
96.12038	0.7
97.06596	13.4
98.53809	0.8
111.08167	1.0
115.79001	0.7
123.08175	5.7
125.09742	100.0
126.10072	5.1
164.94879	0.8
169.08659	1.9
171.10283	5.3
187.09775	76.6
188.10094	3.3
211.13351	4.3
225.11287	1.1
230.94495	0.8
243.12270	1.7
261.13425	11.0
287.19193	1.0
413.21753	1.0
431.22903	19.0
432.23242	2.0
481.99109	0.8
583.30957	0.9
601.32330	91.3
602.32733	18.0
613.22345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01373	2.0
61.98835	4.5
65.00332	0.6
71.01388	1.7
71.72325	0.6
73.02952	0.6
73.28455	0.3
76.11106	0.3
86.15335	0.3
88.68618	0.3
89.02434	0.7
90.29233	0.3
101.02458	1.2
113.02458	0.9
119.05090	0.4
125.02444	1.0
143.05019	1.6
143.67593	0.4
145.03001	0.7
147.04521	0.6
149.02489	0.9
151.00392	0.8
159.04523	1.0
161.06148	0.5
167.14420	0.4
169.03052	0.5
171.04562	1.7
171.10295	13.9
172.10617	0.5
173.02432	1.3
175.04042	0.5
183.04541	1.1
183.13882	0.6
185.02452	1.2
187.04070	2.1
189.01918	0.8
191.03558	1.2
191.05579	0.5
197.02432	0.7
198.03198	1.1
199.04021	0.7
201.01813	0.7
203.03555	1.0
211.04057	1.5
211.13403	10.8
212.13766	0.5
213.01935	1.9
214.02728	1.3
215.03505	5.2
226.02728	4.9
227.03517	4.7
229.01413	4.5
229.05103	0.6
230.01996	0.6
231.02940	1.0
239.03554	1.3
241.01376	1.4
242.02187	1.2
243.02922	1.5
253.09262	1.1
254.02283	1.7
255.02982	21.0
256.03287	2.3
257.00931	9.1
257.04440	1.0
258.01501	1.9
259.02463	87.3
260.02826	6.1
267.03079	0.6
271.02615	0.7
281.04453	0.5
282.01691	42.7
283.02429	38.0
284.02850	3.4
285.04016	8.8
285.07028	0.6
286.04410	1.3
297.07562	1.8
307.05975	1.8
313.07144	0.7
323.05658	1.2
325.03445	1.1
325.07220	2.1
341.06677	100.0
342.07059	10.7
343.08243	51.3
343.12671	0.7
344.08633	5.5
407.19016	0.5
456.26959	0.9
498.27606	0.5
543.05829	1.2
565.26617	0.5
601.09552	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	599.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
58.00601	7.0
59.01379	100.0
60.99318	2.6
61.98835	16.3
62.21202	1.7
62.53933	2.0
65.47699	1.6
71.01389	74.3
71.72311	3.1
72.99316	8.0
73.02944	1.7
83.01372	2.2
85.02966	10.5
87.00890	6.9
88.42635	1.8
88.98822	15.2
89.02457	96.7
93.03477	2.9
95.01373	3.4
96.95998	2.6
101.02459	37.8
109.02977	3.5
113.02475	32.2
119.03530	38.4
120.03854	1.7
121.02969	5.6
123.04560	3.0
125.02480	5.9
131.03523	5.7
134.03804	2.9
135.04501	6.3
136.70392	1.9
137.02461	2.2
143.03531	11.1
145.02980	3.7
147.04561	2.1
149.04520	4.2
150.03267	2.1
151.04013	2.9
161.02490	4.8
161.04620	12.0
162.03259	35.4
163.03697	2.7
165.05586	3.5
166.06369	12.7
173.04692	2.5
175.04141	2.1
177.05579	39.3
179.05630	44.3
179.07182	2.8
180.04250	1.9
181.05112	2.3
181.08728	6.8
191.03735	2.2
191.05600	11.6
195.06648	7.3
217.95108	1.7
219.77489	1.7
231.76147	1.8
257.10068	2.8
284.07294	2.3
321.11646	2.5
329.14120	4.3
357.11923	3.2
377.16171	3.1
539.21045	8.3
599.12537	2.0
599.24207	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98832	100.0
62.98542	0.2
71.72024	0.1
89.02460	0.2
109.81212	0.1
110.68916	0.1
125.08981	0.1
150.03114	0.1
151.00409	0.1
165.05614	0.2
195.06671	0.1
221.39680	0.1
362.08295	0.1
375.20389	0.5
391.45999	0.1
413.25696	0.1
562.50366	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	599.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08758	0.4
59.01381	66.8
60.01725	0.7
61.98846	3.0
64.07053	0.4
64.90119	0.4
69.59035	3.9
69.64257	0.4
71.01386	0.6
72.99310	0.5
74.15364	0.4
77.65599	0.5
84.32509	0.4
85.01092	0.5
93.03488	1.2
95.48805	0.4
96.71689	0.4
112.98856	0.4
116.34955	0.4
121.02263	0.4
121.02972	2.7
122.03748	1.2
123.04552	0.8
125.02486	1.2
127.59197	0.4
132.02193	0.8
135.04562	1.1
137.02466	1.2
145.01456	0.6
147.04515	0.8
149.02461	43.7
150.03256	15.2
150.64102	0.5
151.03970	0.7
163.04012	0.7
164.04814	12.4
164.07054	0.5
165.05592	23.0
166.06331	2.6
167.07179	2.5
173.04478	0.4
180.04292	1.4
181.08748	1.5
191.05666	2.1
195.06639	17.9
196.06934	0.9
201.11354	0.9
259.06290	0.8
270.08878	0.5
271.09744	0.7
283.09674	1.5
285.11365	0.8
289.07187	0.5
314.11603	22.5
315.11801	2.5
329.13947	100.0
330.14264	12.2
330.17349	0.4
359.14954	1.1
377.16055	58.3
378.16385	8.1
437.11237	0.5
567.11932	0.7
599.13623	2.1
600.13678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
59.01372	0.6
60.53131	0.4
61.98839	6.2
64.65173	0.4
67.31388	0.5
71.05660	0.9
71.06023	1.1
75.40337	0.4
75.43207	0.5
75.70476	0.4
78.91891	1.3
79.01923	0.7
82.30215	0.5
93.03472	0.5
95.01374	0.7
101.03976	1.1
117.03494	1.4
119.57071	0.4
121.02985	0.7
145.02972	8.2
151.00383	0.9
156.05814	0.6
171.04518	1.5
171.10376	0.4
172.05313	1.2
178.99841	0.6
199.04057	3.6
200.04794	29.2
201.05202	2.1
228.04279	31.9
229.04697	2.4
232.03764	25.7
233.04121	2.1
288.04739	0.4
297.11316	100.0
298.11655	10.7
299.02036	0.7
301.03513	0.9
394.75003	0.4
463.74222	0.5
599.27753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.4
61.98824	1.8
62.97139	0.4
71.01390	2.1
71.70924	0.4
71.71312	0.5
72.99297	0.9
75.00881	4.7
79.95747	0.7
81.03468	0.9
83.01405	0.6
83.05035	3.2
84.99322	0.7
85.01031	0.7
85.02972	0.8
87.00908	1.9
89.02464	0.4
91.05510	0.5
93.03472	6.4
94.03790	0.6
95.97609	1.2
99.00907	0.7
101.02413	0.7
103.00412	2.2
107.05033	1.1
108.02174	0.5
109.02964	1.3
111.00886	0.4
111.03796	0.8
111.04536	11.4
112.04893	0.5
112.98824	6.9
115.00385	0.6
115.02039	0.5
117.02050	0.4
117.03471	0.7
118.06612	0.4
120.99680	0.4
127.02137	0.4
127.03989	0.8
129.01933	0.7
133.02939	1.1
134.03752	4.9
135.04547	34.2
136.04878	2.5
137.02449	1.9
142.99904	0.6
145.01469	4.1
146.43959	0.4
147.04500	0.6
154.99867	0.5
155.03523	8.6
156.03925	0.8
157.01439	0.8
158.06137	0.7
161.02509	2.1
161.04161	1.2
164.07199	1.4
165.05588	0.5
165.07487	0.9
167.03499	1.2
173.00917	0.4
173.04544	1.8
177.02049	0.4
177.23280	0.4
179.03506	17.5
180.03873	1.5
181.03186	0.6
184.07686	0.5
191.05641	5.9
198.04567	1.0
199.04204	17.7
200.04536	0.6
205.03134	1.8
217.05212	3.2
243.12410	0.4
244.02827	3.1
245.03127	2.0
246.07719	0.8
248.41907	0.4
259.06299	2.3
263.05777	1.2
270.02750	0.5
271.02631	4.1
271.05908	0.9
283.06470	0.5
287.05688	0.5
289.03931	0.7
289.07336	2.4
293.12384	1.0
299.05817	1.3
301.07434	0.5
305.06906	0.5
327.05298	2.3
333.06470	1.4
345.06226	2.3
353.08862	0.8
361.07394	8.8
362.07391	0.6
379.08261	1.0
387.07199	0.5
393.10040	0.6
405.08426	2.9
419.10040	13.1
420.10455	1.0
436.11780	0.8
437.11096	15.1
438.11450	1.6
507.09259	0.5
567.11658	2.5
568.12604	0.6
599.14294	100.0
600.14655	16.2
600.22253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34724	0.4
54.72835	0.4
55.01873	0.4
59.01376	2.7
61.98807	1.9
65.25863	0.4
68.99799	0.7
69.51322	4.1
71.01369	1.9
72.99295	1.2
75.00878	5.6
81.03454	1.3
83.01369	0.7
83.05036	2.7
84.99274	0.6
85.01015	1.1
85.02953	0.7
87.00904	2.3
89.01265	0.4
89.02444	0.8
93.03472	7.7
96.99297	0.5
99.00890	1.1
101.02502	0.6
103.00388	3.3
107.05015	1.5
108.02077	0.5
109.02917	0.7
111.00839	0.5
111.03803	0.6
111.04538	9.2
112.04818	0.5
112.98831	6.7
113.99117	0.4
115.00358	0.8
117.01884	0.5
117.03454	0.7
117.86123	0.4
120.84069	0.4
123.04480	0.4
124.98804	0.6
125.02438	0.9
127.04021	0.5
131.03517	0.5
131.62994	0.4
133.02945	1.2
134.03777	5.3
135.04552	33.0
136.04877	2.2
137.02422	1.5
137.97137	0.4
142.99850	0.5
145.01471	4.5
155.03528	9.1
156.03783	0.6
157.01393	0.9
161.02547	2.3
161.04126	1.2
164.07233	1.1
167.03487	3.5
171.01009	0.6
173.00905	0.4
173.04527	1.4
175.03952	0.4
179.03528	18.1
179.05115	0.9
180.03856	1.2
191.05685	4.1
198.04549	1.0
199.04216	16.2
200.04460	0.8
205.03084	1.7
217.05273	3.9
231.06804	0.4
235.02892	0.5
244.02831	1.1
245.03128	0.8
259.06259	2.8
261.04010	0.5
263.05911	0.9
267.87555	0.5
271.02667	4.4
283.06345	1.0
284.03586	0.5
289.04227	0.7
289.07346	2.4
293.12411	0.4
299.05865	1.1
301.07294	0.6
305.06558	0.5
311.98477	0.5
319.08405	0.5
327.05380	3.2
333.06458	1.0
345.06396	1.7
353.08755	0.5
361.07410	9.2
362.07687	0.8
379.08719	0.8
393.09909	0.6
405.08484	3.2
419.10086	13.2
420.10324	0.9
421.09518	0.6
437.11111	15.9
438.11359	1.9
507.09460	0.7
567.11755	2.0
599.14294	100.0
600.14648	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
70.40357	1.5
79.01896	0.5
85.02964	0.6
85.06598	4.2
91.10461	0.4
97.06602	0.7
99.08184	0.6
101.06100	0.4
111.04530	0.9
113.06133	0.4
120.04476	0.3
121.06623	0.4
123.04559	0.9
125.06091	3.6
125.09735	0.5
137.09732	1.0
139.11252	0.4
151.04044	3.8
151.07619	0.5
163.23468	0.3
165.05608	1.2
166.02777	1.2
169.55714	0.3
177.01978	0.6
177.12802	0.5
179.03517	1.1
179.10802	0.4
180.04330	2.3
183.06667	2.3
191.03531	0.5
193.08701	0.5
195.06628	0.5
203.10762	0.5
203.70195	0.3
205.12329	1.2
207.06621	0.4
207.10255	0.9
214.04807	0.4
217.08727	1.2
221.08188	5.7
222.08939	4.3
223.06218	0.8
223.09763	1.9
231.10217	1.1
233.08180	0.9
233.15485	0.9
235.09761	42.5
236.10349	6.1
237.10861	0.5
247.09731	0.8
249.11317	15.9
250.11723	1.1
261.18561	0.6
268.09537	0.5
277.14508	4.7
278.14752	0.6
291.12579	0.4
291.15936	1.0
301.21793	0.4
303.16147	0.4
305.17606	1.5
315.16068	1.3
317.17596	2.0
333.17087	8.8
334.17682	2.6
357.20703	0.7
359.18591	0.5
373.16534	1.2
375.21753	6.2
376.22296	1.0
401.31699	0.4
429.26886	0.5
471.31104	1.7
485.32974	0.8
527.33667	0.6
528.34601	0.5
553.42120	0.5
579.37708	1.0
597.41663	100.0
598.42035	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	597.4166
Annotation	Hericenone G
Peak:m/z	Relative Intensity
52.47639	0.2
55.01894	0.2
57.03447	0.3
57.80123	0.2
69.56311	1.8
73.38260	0.2
79.01900	0.5
79.05566	0.2
79.72973	0.2
85.06606	0.7
98.20609	0.6
101.06042	0.2
101.48483	0.2
107.05044	0.6
111.04506	0.2
115.37870	0.2
123.04578	1.3
125.06102	3.7
126.10226	0.2
137.09735	0.6
138.03294	0.3
138.57530	0.2
148.32513	0.2
149.09703	0.3
151.04030	5.9
158.06384	0.2
165.01999	0.3
165.05591	0.4
166.02708	0.9
177.01999	1.5
179.03574	1.0
179.10837	0.4
180.04312	2.3
191.10773	0.8
205.12332	0.6
205.15988	0.3
207.06665	0.3
207.10251	1.4
208.07309	0.3
217.08694	2.3
218.09232	0.2
219.06561	0.3
221.06030	0.4
221.08208	6.6
222.08961	3.1
223.09746	2.0
223.17033	0.4
233.08102	0.3
235.09761	70.7
236.10281	8.5
237.10950	0.4
247.09752	0.6
249.11333	4.5
249.18486	0.3
268.09573	0.3
277.14481	0.4
285.20343	0.3
291.12311	0.3
301.21698	1.0
303.16165	0.5
315.15784	0.4
317.17612	0.3
319.15506	0.3
333.17133	3.6
334.17847	1.1
375.21765	10.1
376.22165	1.5
429.26459	3.1
430.26779	0.3
452.55927	0.3
469.04254	0.2
511.34326	0.3
513.31842	0.3
528.35028	0.5
553.42328	0.4
597.41644	100.0
598.41992	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97906	0.3
57.03474	0.6
59.01383	0.3
60.77584	0.3
72.20895	0.3
85.06594	1.6
87.04581	1.1
88.56990	0.3
99.08235	0.3
107.05049	1.0
109.03035	0.4
110.48191	0.3
111.04533	6.8
111.08199	0.8
121.06654	0.5
123.04549	2.1
123.08202	1.4
125.02486	0.9
125.06098	0.6
135.04561	0.4
137.02527	0.7
137.09758	0.4
139.04059	0.9
141.05641	0.5
149.09854	0.4
151.04031	8.6
152.04764	0.8
163.04051	0.6
165.01999	0.4
165.05571	1.1
166.02750	0.9
167.03539	1.8
167.14439	0.4
168.04266	1.0
177.01976	1.3
177.05629	0.7
177.09242	0.7
179.03543	1.5
179.07182	0.9
180.04312	5.0
180.07919	0.4
181.04945	0.8
191.03621	0.5
191.10806	1.0
192.07903	0.6
193.08698	2.3
195.02861	0.5
195.06676	4.7
196.03719	0.4
196.06831	0.3
203.07204	3.6
205.08630	0.4
207.06667	1.7
207.10138	0.4
208.07437	2.2
209.08226	1.3
217.08636	0.7
219.06671	1.8
221.08211	100.0
222.08919	27.2
223.06180	0.5
223.09279	2.3
224.06813	0.6
229.86771	0.4
233.08183	3.0
234.08731	0.5
235.09784	11.1
236.10179	1.5
237.10211	0.4
247.09776	1.1
248.10464	0.4
249.11290	1.2
277.14774	0.5
289.14453	2.4
290.14777	1.6
291.12350	1.1
291.15152	0.9
303.15967	0.6
306.14749	3.2
321.17139	2.0
331.19177	0.5
333.17172	0.7
341.17572	0.7
343.18979	1.1
359.18643	8.7
360.19354	17.5
361.20047	4.0
362.17233	0.5
371.18655	0.5
373.27469	0.7
375.21490	0.4
376.18912	4.2
377.19196	0.6
383.22192	0.9
387.22104	0.4
399.25500	2.4
400.25943	0.4
417.26480	9.3
418.26758	1.5
423.32632	0.4
441.33344	0.5
442.23608	2.5
443.23956	1.1
451.28406	1.3
452.28589	0.6
459.27176	0.5
485.32468	1.2
486.32703	0.4
495.27490	1.0
509.28638	0.5
521.36072	0.5
535.38147	0.6
551.36639	0.4
565.35559	0.6
579.36951	7.4
580.37067	1.5
597.37897	49.6
598.38165	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	597.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67981	2.6
69.68416	2.7
69.94416	0.6
71.37660	0.6
85.06606	1.4
109.06585	0.7
111.04520	5.2
119.64280	0.7
123.04578	0.9
123.08205	0.8
139.04048	1.1
151.04030	6.2
167.03482	2.4
168.04248	0.8
177.09271	0.7
179.03554	1.4
180.04306	4.3
180.07898	0.8
181.04939	0.7
193.08719	3.2
195.06647	2.0
200.26385	0.8
203.07124	2.8
205.08562	0.8
207.06645	1.2
208.07419	2.6
208.37672	0.6
209.08177	1.3
217.08498	0.7
219.06644	1.4
221.08195	100.0
222.08920	32.2
223.09290	1.9
233.08199	2.2
235.09689	3.6
289.14383	0.9
306.14694	7.0
321.17004	1.9
359.18753	7.7
360.19385	18.8
361.20050	4.8
376.18939	9.1
377.19476	1.7
399.25522	3.2
417.26413	7.9
418.26938	1.2
442.23648	2.8
451.28561	1.6
485.32678	1.2
495.27618	0.8
521.37122	0.7
551.37244	0.7
579.36908	6.2
580.37256	1.5
597.38007	57.0
598.38416	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92593	0.4
57.03446	0.5
57.57137	0.4
60.40277	0.4
69.39574	1.3
69.39989	3.4
80.97235	0.4
90.15669	0.4
98.20602	0.8
107.05049	0.7
108.12714	0.4
111.04528	2.9
119.68529	0.5
123.04559	1.3
123.08184	1.0
129.03802	0.4
132.66969	0.4
151.04030	7.0
152.04608	0.7
177.01917	1.0
177.09233	0.5
179.03549	0.8
180.04321	4.6
193.08705	2.4
203.07147	3.8
207.06627	1.4
208.07486	2.4
209.62451	0.5
221.08209	100.0
222.08936	29.8
223.09282	1.3
233.08170	2.8
235.09776	4.4
236.10294	0.5
268.85928	0.4
289.14709	0.5
345.95255	0.6
359.18646	1.7
360.19403	17.2
360.23920	0.8
361.19968	4.2
453.26401	2.4
464.34055	0.4
475.25870	0.4
537.32172	2.6
579.36572	1.7
597.38007	48.7
598.38336	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.38
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68143	4.7
73.39382	0.7
74.28392	0.6
85.06600	1.9
102.10358	0.5
107.05039	1.1
111.04518	5.4
111.08171	1.0
123.04552	1.0
123.08189	2.3
125.02499	0.6
139.04022	0.7
151.04041	8.4
152.04688	0.7
165.09196	0.8
167.03513	3.5
168.04312	1.2
173.38527	0.5
177.01918	1.1
179.03513	1.0
180.04321	5.3
191.10741	0.6
193.08766	2.7
195.06682	3.3
197.11919	0.7
203.07097	3.7
207.06645	1.6
208.07414	2.5
209.08238	0.6
219.06676	1.6
221.08202	100.0
222.08926	30.6
223.09329	2.0
233.08279	3.1
234.54874	0.6
235.09808	4.7
247.09476	0.6
275.12729	0.8
289.14432	1.0
305.13916	0.8
306.14761	5.4
321.17050	1.8
341.17889	0.8
350.01816	0.5
359.18643	8.5
360.19388	16.5
361.20148	10.0
362.20642	1.0
376.18839	10.4
377.19305	1.0
399.25458	3.4
417.26428	7.9
418.26813	1.5
442.23541	1.7
451.28363	1.7
485.33295	1.1
495.27472	0.7
535.37811	0.9
579.37354	6.4
580.37122	1.7
597.37976	54.5
598.38312	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45412	0.2
63.41248	0.3
65.63384	0.3
69.51289	2.8
85.00182	0.3
85.06612	0.4
91.19761	0.3
95.72309	0.2
107.05055	0.7
109.16038	0.3
111.04543	3.3
111.08151	0.3
123.04568	1.6
123.08172	0.4
137.56711	0.4
149.02467	0.4
151.04027	7.3
152.04659	0.5
165.05623	0.4
166.02730	0.6
177.01959	1.5
177.09238	0.7
179.03496	1.3
180.04294	3.9
191.10754	0.3
193.08736	1.8
203.07150	3.1
207.06590	1.6
208.07387	2.8
209.08148	1.1
219.06668	0.6
221.08200	100.0
222.08910	28.4
223.09366	1.5
233.08211	2.6
235.09764	3.3
236.10117	0.6
237.07922	0.3
237.10739	0.3
247.09705	0.7
303.16071	0.7
306.14838	0.3
359.18658	2.1
360.19415	23.8
361.19858	3.5
371.18512	0.4
376.18661	0.4
377.19443	0.4
399.25714	0.3
442.23169	0.4
453.26352	1.6
454.26917	0.4
495.27652	1.1
509.32932	0.4
537.32318	1.3
538.32263	0.3
565.35492	1.0
579.36951	2.7
580.37268	0.7
597.37982	31.6
598.38300	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	597.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56341	0.5
54.17778	0.5
57.03450	1.0
59.01369	2.0
61.98847	0.7
68.99818	0.9
71.72533	1.1
85.02961	1.9
85.06599	1.1
87.04523	1.7
91.76509	0.5
93.56832	0.5
95.05049	1.3
107.05014	0.8
111.04532	9.1
111.08179	1.7
113.02455	0.9
113.06099	1.1
120.74856	0.5
121.02985	0.7
123.04515	1.6
123.08173	5.2
135.04561	0.6
137.06149	0.6
139.04034	0.8
139.07710	1.5
141.09204	0.7
149.02475	0.9
149.09767	1.5
151.04030	8.0
152.04848	0.6
154.30502	0.5
155.07170	1.6
155.56160	0.5
161.78645	0.5
163.07649	0.6
165.09270	0.9
166.02731	1.2
167.03487	2.0
167.07275	0.6
168.04286	0.7
177.01959	1.6
177.09137	0.8
179.03532	1.6
180.04314	5.1
181.05017	2.2
183.06636	12.0
184.06874	0.9
191.03531	0.7
191.07217	1.1
192.73265	0.5
193.08749	2.7
195.06670	1.5
203.07149	4.2
204.07463	0.7
205.05051	0.6
207.06670	1.3
208.07390	4.0
209.08224	2.7
214.04895	1.2
219.06699	3.1
221.08200	100.0
222.08890	25.3
223.09311	1.6
233.08180	4.9
234.08926	1.7
235.09760	5.4
236.10219	0.6
237.07645	1.0
240.32080	0.6
247.09683	1.8
275.12820	1.0
277.14404	0.6
289.14426	2.4
301.14398	0.6
303.16019	1.3
305.13953	0.7
306.14716	2.8
307.15234	0.6
317.14120	0.9
317.17584	0.9
333.17044	9.7
334.17395	1.5
341.17484	0.8
343.15637	1.7
343.19318	0.9
345.16959	0.7
347.75107	0.5
358.17743	0.7
359.18649	8.5
360.19409	18.8
361.20193	16.6
362.20517	1.8
376.18927	5.1
377.19394	1.6
442.23511	0.6
485.32745	1.7
509.32431	0.6
537.35779	2.1
551.37097	0.7
555.36969	1.2
565.35663	1.1
579.36835	8.2
580.37152	2.0
597.37976	81.5
598.38269	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	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29094	0.5
57.03468	1.1
59.01389	1.9
61.98845	1.3
63.18250	0.4
65.46331	0.5
67.01917	0.5
67.93564	0.4
68.99833	1.7
69.03473	1.5
71.01402	2.6
72.99342	0.5
73.02988	0.8
75.00896	0.8
81.03461	7.1
83.01394	6.3
83.01802	0.6
85.02975	1.3
93.03470	5.7
95.01426	2.2
95.05040	5.0
95.05524	0.5
96.17414	0.4
96.65198	0.6
97.02970	5.0
99.04548	1.9
107.05059	2.3
109.02986	4.1
109.06611	1.0
111.00896	0.8
111.04517	2.3
113.02474	2.0
115.00408	2.0
116.92862	0.6
119.05038	8.8
119.05801	0.8
120.23582	0.5
121.02972	3.0
121.06641	1.0
123.00868	0.6
123.04539	18.7
124.04875	0.7
125.02455	11.6
125.58645	0.6
133.01462	4.2
135.04549	4.6
137.02475	6.0
137.06108	7.0
139.04039	10.2
141.05565	1.0
145.03006	1.6
145.06639	0.6
147.04532	3.0
149.02481	1.9
149.06113	2.0
151.00372	0.6
151.04037	4.5
153.05595	1.2
155.03439	0.8
159.04556	1.1
161.06116	2.1
163.00392	0.6
163.04030	4.1
163.07703	1.3
164.04790	0.8
165.01944	3.0
165.05589	7.3
166.02711	1.3
167.03519	31.4
168.03900	1.4
173.06154	0.9
175.04134	0.8
177.02003	3.2
177.05569	2.7
177.92900	0.6
179.03523	8.2
179.07149	1.8
180.04210	0.8
181.05060	2.2
189.01915	2.6
189.05591	8.3
190.02788	0.6
191.03473	2.6
191.07126	0.7
193.05096	4.2
195.06581	0.8
197.04559	5.3
203.03554	0.6
205.01462	0.9
205.05096	1.7
207.02959	0.9
207.06651	1.8
209.04564	29.7
210.04858	1.4
216.00658	0.7
217.01463	2.1
217.04868	0.8
219.03049	1.7
219.06651	0.5
220.03790	0.5
221.04517	4.8
223.06152	1.5
229.08710	2.6
231.02937	1.0
232.03642	0.6
233.04530	1.6
235.06142	1.4
239.05594	11.3
240.05646	0.6
245.08234	0.7
247.06140	0.8
247.10083	0.6
248.03281	0.6
251.05595	4.6
255.06682	1.6
263.05612	2.2
265.06888	0.5
269.06482	2.5
271.05930	1.1
273.07635	5.8
275.05615	0.7
281.06708	1.5
285.07706	2.0
297.07599	0.7
300.02896	0.8
315.08749	19.3
316.09283	2.3
325.06973	0.6
327.08737	7.9
328.09055	1.4
341.06683	9.8
341.10245	0.9
342.06982	0.6
345.09723	5.8
346.10339	0.6
355.08490	0.7
357.09811	100.0
358.10144	14.5
369.09778	3.8
370.09866	0.6
371.11270	1.2
387.10861	77.6
388.11197	10.4
394.33780	0.6
399.10797	3.6
417.11935	21.9
418.12402	2.4
429.11969	2.0
435.10818	9.5
436.11279	1.4
441.12140	1.1
459.12982	10.1
460.13242	1.5
463.08759	1.2
471.12897	1.3
472.13391	0.5
477.14029	24.6
478.14435	3.2
489.14038	6.5
490.14423	1.1
507.14856	3.1
508.15176	0.6
579.17236	1.7
597.18207	15.8
598.18292	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74433	1.7
54.00577	1.7
55.47847	1.6
57.03458	3.8
58.00592	3.1
59.01382	37.0
61.98835	28.3
69.03471	17.5
71.01389	48.5
71.05504	2.9
71.05854	4.2
72.93081	1.9
72.99304	2.6
73.02953	3.8
75.00878	2.0
81.03469	1.9
81.55386	1.7
82.44089	1.7
83.01388	3.1
85.02966	12.0
87.00900	3.8
87.66464	1.7
88.98830	2.5
89.02451	39.6
93.03458	3.0
95.01407	6.5
96.95984	2.4
97.02959	14.0
99.00900	2.0
101.02445	13.8
107.01414	8.1
108.02190	46.4
109.02987	25.3
110.03371	1.8
113.02461	9.2
116.92834	2.5
121.02996	4.6
123.00904	5.1
123.04514	12.3
125.02464	42.2
125.03306	3.5
131.03482	8.7
133.01457	2.3
133.03008	4.3
134.03725	3.1
135.00911	31.9
135.04541	7.3
137.02443	5.0
143.03503	3.0
149.02470	5.1
149.04558	10.5
150.03236	5.2
151.00420	5.1
151.04012	8.1
152.01184	70.6
153.01953	55.9
154.02303	2.2
161.02454	8.3
161.04599	2.5
163.04007	2.5
165.01907	3.0
165.05608	2.7
177.01956	7.4
179.03506	5.8
189.01982	3.1
191.05606	9.1
193.04997	2.4
195.03014	5.3
195.06578	2.8
197.06117	3.3
204.49045	1.8
215.03499	4.9
217.01428	4.0
229.01364	1.8
231.03075	2.7
242.02200	2.3
242.05879	2.3
243.02783	1.9
243.06604	28.7
268.07410	2.9
269.00842	3.5
276.06403	2.4
283.09750	2.7
291.08817	6.8
292.05783	2.0
293.08752	14.9
307.06268	2.6
327.07227	10.2
341.06494	9.4
342.07169	2.3
363.05356	2.6
369.08136	4.4
393.06250	9.4
429.10373	100.0
430.10632	9.4
435.25943	2.5
487.10333	27.4
488.10638	4.9
503.09848	19.6
504.10199	3.3
549.20819	4.7
597.12677	9.9
597.31934	23.8
598.14398	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	595.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45340	0.5
69.60500	3.5
71.05022	0.8
79.01877	0.6
86.52716	0.5
98.20588	0.9
99.08164	0.9
114.40789	0.4
123.04539	1.0
125.06072	3.6
125.09741	1.7
137.09747	0.6
151.04007	5.3
152.04851	0.7
166.02696	1.5
177.01929	0.9
179.03499	1.9
180.04326	5.7
207.10303	0.8
217.08743	1.5
221.08189	5.7
222.09015	2.7
223.09750	0.7
235.09773	58.0
236.10460	16.1
244.68114	0.6
247.09787	2.7
249.11351	3.8
261.11392	0.7
289.14569	1.0
317.13928	0.6
359.18478	1.0
360.18845	0.6
373.20041	0.8
374.20798	0.9
413.86813	0.5
551.41028	0.9
595.40082	100.0
596.40424	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	595.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
59.01371	2.5
71.01982	2.9
71.02339	2.1
73.02943	1.5
79.01970	1.4
79.29683	1.4
79.74616	1.7
86.12328	1.8
99.08200	1.6
99.98387	1.4
101.06045	2.2
107.05016	1.7
111.92976	1.4
122.59821	1.4
123.04527	2.0
125.06101	19.4
133.06589	1.9
137.09799	8.3
138.03224	3.0
141.61148	1.6
150.03200	2.7
151.04031	6.4
161.09784	2.7
163.04022	1.8
163.07640	2.5
165.90898	1.5
166.02765	9.9
173.05974	2.5
180.04291	3.5
184.22081	1.7
189.09195	1.8
193.08661	5.5
195.06673	3.3
197.08217	10.6
200.21834	1.4
205.08688	8.9
209.08153	7.1
211.27287	1.7
217.12383	1.9
221.08168	8.8
222.08977	19.5
223.09578	2.4
231.06618	2.5
233.08313	2.1
235.09769	32.2
236.10353	7.2
237.07663	7.4
238.08481	3.6
243.10033	1.7
243.13927	5.0
245.11859	2.7
245.15460	8.7
247.09798	18.8
248.10559	2.6
249.11327	4.5
260.10693	1.6
261.11142	2.5
271.13547	3.5
275.12952	2.4
287.12836	4.7
288.13644	4.0
289.14441	98.6
290.15063	26.0
291.15366	2.2
319.19128	2.6
331.19254	3.5
333.17130	2.3
357.20624	13.2
357.23865	1.4
358.21454	22.2
359.22012	5.6
371.18631	37.1
372.18979	4.5
374.20987	16.0
374.69125	2.0
375.21518	4.6
391.21664	1.8
397.50195	1.8
413.26880	3.0
415.24857	5.1
429.26334	3.2
431.28131	3.8
439.24765	2.8
441.26193	4.7
458.26920	3.2
469.33081	3.2
509.32550	2.9
551.40289	2.3
577.39209	13.0
578.39459	4.6
595.40021	100.0
596.40448	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01385	6.2
68.99830	1.7
69.64063	1.5
69.64459	5.3
69.98818	0.7
79.01897	1.6
79.05544	2.2
82.13336	0.8
85.02946	1.9
97.02940	0.8
97.06590	1.0
98.20035	2.1
98.20629	1.2
99.08176	1.9
101.06113	3.0
107.05035	1.9
109.02964	1.0
109.06590	1.4
111.04510	1.0
113.02416	1.0
119.08688	1.3
121.06644	1.0
122.03745	1.1
123.04500	1.3
123.08197	0.8
125.02451	1.1
125.06106	22.8
126.06438	0.9
133.06595	2.1
137.02473	1.6
137.09749	14.7
138.03244	2.5
138.10011	0.8
139.04012	1.5
149.02443	1.0
151.04002	6.4
153.01952	0.9
153.09244	1.6
159.08183	2.7
161.09731	4.3
163.04001	1.7
163.07666	2.4
164.04936	0.8
165.02017	1.0
165.05608	1.4
166.02728	10.3
167.03464	3.4
169.08742	1.1
173.06021	0.8
175.07628	1.1
177.01945	0.9
177.05508	2.1
177.09291	1.1
179.03537	2.7
179.07098	1.6
180.04286	3.6
180.07947	0.9
181.08737	2.9
187.07741	1.3
189.05670	1.0
189.09230	2.2
191.07129	0.8
192.07961	1.3
193.04967	2.1
193.08710	3.7
194.05887	0.8
194.18950	0.8
195.06659	4.2
197.08224	16.7
198.08643	0.8
201.12862	3.6
203.07187	1.0
205.05185	1.0
205.08694	6.9
207.06665	1.9
207.10295	1.3
208.07288	1.1
209.08189	6.1
217.08687	1.2
219.06657	1.6
221.08197	4.7
222.09004	19.9
223.09584	5.5
225.13075	1.0
228.06416	2.8
231.06633	2.9
233.08208	3.3
235.09758	32.8
236.10466	7.7
237.07675	4.3
238.08420	3.5
243.13930	6.0
244.11060	1.4
245.08183	1.7
245.11824	7.6
245.15486	6.4
247.09770	19.8
248.10318	2.5
249.11229	1.1
249.15056	0.9
257.11871	1.1
259.09775	1.2
259.13449	1.9
259.16846	1.2
260.10535	2.4
261.11328	3.5
261.15076	1.9
261.18399	1.2
262.12006	0.8
262.15250	0.9
271.13428	2.9
273.11276	3.0
275.12946	1.9
276.13385	1.2
287.12836	4.1
288.13620	3.7
289.14459	92.2
290.15067	21.4
291.15652	1.6
305.13815	1.3
309.18668	1.4
315.19458	1.2
319.19315	1.3
325.17776	1.1
327.16165	1.7
327.19696	7.6
328.19919	1.3
331.19162	8.5
332.19614	1.3
333.17184	1.2
343.19208	2.6
355.19058	1.5
357.20712	18.2
358.21442	17.9
359.22278	4.9
371.18652	63.9
372.19016	10.3
373.20181	3.7
374.20947	23.5
375.21524	3.3
397.27774	1.4
407.33621	1.0
411.21490	1.9
413.26974	1.8
414.27441	1.4
415.24951	12.1
416.25464	1.7
425.23230	1.4
429.26797	1.0
431.28036	3.7
432.28259	0.9
439.24893	4.3
440.25671	2.9
441.26404	8.5
442.27136	1.5
449.30734	0.9
457.25827	0.8
458.26651	9.3
459.27206	2.5
469.33267	4.2
493.30145	1.1
507.31558	1.4
509.32745	2.8
533.40826	0.9
535.37720	2.1
536.38397	0.9
549.39630	2.1
551.41284	1.7
552.41846	1.0
553.38782	1.4
577.39124	19.1
578.39526	3.1
595.40100	100.0
596.40509	23.6
596.50287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55647	0.3
56.23320	0.3
57.03434	0.6
61.98848	0.3
69.63773	0.3
69.64101	2.5
71.01379	0.3
71.03403	0.3
71.05008	0.7
78.47773	0.3
79.01923	0.4
85.01896	0.3
88.36951	0.3
99.08166	0.6
109.03012	0.3
111.04547	0.5
123.04516	0.9
125.06100	3.3
125.09724	0.9
128.27261	0.3
137.09727	0.6
151.04022	5.8
152.04771	0.7
161.09630	0.3
163.04030	0.3
165.01941	0.3
165.05562	0.5
166.02725	1.3
170.79918	0.3
177.01958	1.1
179.03505	1.3
180.04311	5.5
181.08678	0.3
191.10887	0.6
192.00323	0.3
193.08766	0.3
193.12415	0.3
196.46118	0.4
196.53296	0.3
207.06602	0.7
207.10277	1.0
217.08719	2.3
219.10251	0.7
221.08189	5.1
222.08952	2.8
223.09715	0.9
233.08159	0.7
235.09758	62.9
236.10466	16.9
237.10886	1.3
245.15440	0.4
247.09785	4.9
249.11258	2.6
250.78539	0.3
261.11533	0.4
261.66199	0.3
267.52200	0.3
273.15259	0.3
275.12686	0.4
289.14413	2.3
317.14053	0.4
317.17535	0.7
357.20667	0.4
359.18533	0.6
359.22418	0.3
373.20377	1.4
374.20911	1.0
375.21924	0.4
401.30536	0.7
482.04593	0.3
551.41022	1.6
595.40082	100.0
596.40424	23.4
596.50525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01380	2.8
68.99831	0.8
69.44173	3.2
69.44595	1.9
73.75430	0.5
79.01926	0.8
79.05524	1.1
81.03451	0.6
83.05036	0.8
85.02964	2.3
85.06589	0.8
93.03474	0.7
97.02966	0.5
98.19843	1.2
99.08176	1.8
101.06115	1.1
106.13035	0.5
106.38609	0.5
107.05054	1.1
109.06607	1.4
111.04529	1.5
113.02454	0.6
119.08698	0.8
121.06600	0.7
123.04545	1.6
125.06110	13.3
125.09737	1.6
126.06440	0.8
133.06596	0.8
137.02509	0.9
137.09743	8.8
138.03235	1.7
149.06081	1.0
150.03288	0.7
151.04019	7.2
152.04805	0.9
153.01935	0.8
153.09235	0.6
159.08136	0.7
161.09711	2.6
163.04012	1.2
163.07628	0.9
163.11359	0.5
165.01917	1.5
165.05573	1.1
166.02724	6.8
167.03456	0.7
175.07671	1.1
177.01909	0.8
177.05655	0.6
179.03503	2.3
179.07159	0.9
180.04292	5.7
180.07922	0.5
181.04610	0.6
181.08742	1.3
189.09190	1.4
193.05107	1.5
193.08775	0.9
195.06636	2.8
196.07114	0.6
197.08205	10.3
201.12852	2.1
203.07047	0.8
205.08693	5.4
206.09270	0.7
207.06609	1.2
207.10248	1.8
208.07367	0.7
217.08739	2.1
219.06633	1.5
219.10185	1.2
221.08214	4.2
222.08960	14.4
223.09694	2.5
225.12921	0.7
228.06424	2.0
231.06676	1.0
233.08208	2.2
235.09763	48.7
236.10454	13.1
237.10901	0.7
243.10330	0.5
243.13797	3.6
244.11105	0.6
245.08221	0.6
245.11864	3.0
245.15454	5.0
247.09766	13.3
248.10306	1.8
249.11331	2.7
259.13269	1.3
260.10492	1.1
261.11133	2.9
271.13354	1.6
273.11328	2.2
273.14957	0.6
275.12943	1.5
276.13559	0.6
287.13007	2.7
287.16245	0.5
288.13663	1.3
289.14456	56.7
290.11661	0.9
290.14923	8.1
303.12500	0.6
305.13727	0.7
309.18677	0.7
313.14383	0.9
315.19467	0.8
327.16278	0.8
327.19647	2.8
329.21039	0.7
331.19260	4.5
333.17163	0.9
343.19144	1.4
355.19412	0.6
357.20688	8.2
357.24597	0.4
358.21484	13.6
359.22067	2.0
371.18646	27.4
372.19046	3.6
373.20285	2.9
374.21011	5.9
375.21460	2.1
391.21240	1.7
396.26501	0.7
397.19943	2.4
407.32654	0.8
415.24918	7.9
416.25156	0.9
439.24844	1.7
440.25851	1.3
441.26544	3.4
442.26904	0.8
451.28436	0.9
458.26907	1.2
465.30301	0.8
469.33109	1.5
509.33029	1.8
533.39905	0.7
535.37714	1.0
543.55835	0.6
549.39362	1.0
551.40436	0.9
553.38831	1.0
563.37311	0.6
577.39166	8.2
578.39349	2.1
595.40070	100.0
596.40436	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	595.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
57.38430	0.5
64.09392	0.5
69.39653	0.5
69.40158	0.7
69.40632	3.3
69.41119	0.7
74.36397	0.5
92.50552	0.4
94.77036	0.4
98.19809	0.9
107.05046	0.8
123.04510	0.8
125.06106	3.7
125.09760	0.8
125.94248	0.5
126.77077	0.4
151.04030	4.9
152.04781	0.6
165.05708	0.6
166.02736	1.2
177.02026	0.6
179.03477	1.8
180.04298	6.0
191.10870	0.6
207.06650	0.9
207.10291	1.2
212.85721	0.6
217.08736	1.3
221.08194	4.3
222.08914	1.7
223.09644	0.9
235.09763	59.2
236.10478	14.0
237.10977	0.7
247.09785	2.0
249.11255	3.8
261.11353	0.7
357.20663	0.5
359.18494	0.6
373.20230	1.4
374.20544	1.1
401.30692	0.6
551.41022	1.5
595.40088	100.0
596.40442	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01410	0.5
64.85487	0.4
70.48619	1.7
78.95908	58.5
80.91681	1.2
85.75293	0.4
96.96973	12.3
100.40496	0.4
119.28380	0.4
150.97987	0.8
152.99603	88.6
153.99979	1.5
171.00677	2.5
195.32971	0.5
209.11972	0.6
223.00125	11.2
241.01187	23.3
242.01552	1.0
257.68173	0.4
259.02103	1.4
279.23288	63.5
280.18732	0.5
280.23624	8.4
315.04877	14.6
316.05096	0.6
322.50464	0.5
333.05966	0.9
336.62854	0.5
490.48026	0.5
498.50052	0.5
516.38062	0.5
547.51093	0.5
595.28906	100.0
596.29230	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59927	1.1
57.03445	11.9
57.26849	1.0
59.01373	7.3
60.28283	1.1
61.98841	5.4
71.01379	4.0
71.71558	2.8
73.02905	1.3
81.03457	5.4
83.01392	8.2
85.02956	1.8
89.02454	2.5
90.76540	1.2
93.03468	3.9
95.01406	2.1
95.05028	4.4
95.05603	1.0
97.02954	8.8
99.04516	3.8
101.02441	4.2
109.02215	1.5
109.02970	31.4
111.04519	1.8
112.63832	1.1
116.92880	12.8
119.05046	5.6
121.02981	9.7
122.03743	3.9
123.04538	24.8
125.02460	30.8
126.02823	1.3
133.02965	2.0
135.04512	5.2
137.02458	40.2
138.02963	1.5
139.04057	6.4
139.04959	1.4
144.13126	1.3
145.03017	1.6
147.04524	1.5
149.02477	10.2
150.03169	1.8
151.00397	3.2
151.04021	41.2
152.04356	2.0
159.04510	3.2
160.05319	2.3
161.02477	4.9
161.06097	9.2
162.03215	7.3
163.04001	4.2
164.01183	4.8
165.01947	11.2
165.05611	3.4
166.02676	1.5
167.03539	11.6
171.06392	1.1
173.04509	1.3
175.04037	3.4
175.07706	2.8
177.01874	2.5
177.05591	6.9
179.03511	12.9
185.06085	2.2
186.60966	1.1
187.04019	7.0
188.04779	4.9
189.05649	1.1
191.05614	11.4
193.05106	2.3
195.06645	2.0
197.04497	2.7
201.05566	1.6
202.06270	2.8
203.07156	24.3
204.07478	2.1
205.05078	19.4
209.04536	9.4
209.08011	1.8
217.05171	1.3
217.08633	1.6
221.08128	8.0
227.07237	5.8
239.05551	6.3
245.08188	46.7
246.08470	4.8
247.06161	3.9
251.09280	5.6
269.06491	2.7
271.05911	5.4
281.10416	1.8
288.06866	1.4
289.07181	99.3
290.07507	8.7
300.02759	2.0
301.03561	1.9
313.09216	4.2
329.08820	1.8
343.11746	1.6
355.08145	13.0
385.09253	8.9
386.09448	2.0
391.14029	2.7
407.53745	1.3
413.14682	5.7
415.10461	2.4
443.15366	2.6
450.10867	1.3
451.12454	100.0
452.12784	14.0
457.13153	3.4
463.08884	3.4
472.41220	1.3
475.12537	7.4
493.13480	45.1
494.13821	8.5
499.06403	1.5
533.16779	9.6
534.17310	1.5
595.16675	38.7
596.17273	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	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.8
65.53385	0.6
68.99823	1.0
69.03463	1.4
69.31963	0.6
71.01388	1.4
79.01884	1.8
80.35999	0.6
81.03471	2.4
83.01393	4.3
93.03439	5.8
95.01403	1.6
95.05012	1.3
97.02972	3.8
97.03505	0.6
99.00894	0.7
101.02438	0.7
101.93840	0.6
105.03493	1.0
107.01400	6.1
107.05025	2.0
109.02963	3.3
111.04552	1.5
113.02425	0.9
117.03502	1.1
119.05047	37.8
120.05386	1.6
121.02978	3.2
123.00845	1.7
123.04511	3.3
125.02461	8.0
131.04985	0.9
133.02956	1.8
135.04538	3.4
136.01704	0.9
137.02502	5.2
137.06137	0.7
139.04045	5.7
143.05060	5.0
145.02962	6.0
147.04552	3.0
149.02457	5.7
150.03134	1.2
151.00406	5.2
151.04060	3.4
153.01907	0.9
155.03600	1.4
159.04503	0.8
161.02434	0.8
161.06085	2.7
163.00314	3.4
163.04001	3.5
164.01164	0.9
165.01965	6.6
165.05476	0.7
167.03502	9.3
168.03868	0.8
173.06071	0.7
175.04034	2.1
177.01944	5.1
177.05562	1.7
178.02663	1.6
179.03493	3.1
181.01476	0.7
181.05077	1.3
185.06046	1.2
187.04030	6.9
189.01935	0.9
191.03485	2.7
192.00655	1.0
192.04033	1.0
193.01434	9.9
193.04982	1.0
195.03119	0.7
195.06598	0.8
197.04553	2.6
199.07619	2.1
203.03537	1.0
204.00699	0.9
205.01427	7.7
205.05034	0.8
206.02109	1.7
207.03023	5.0
209.04495	4.2
217.01479	1.3
219.02974	3.0
221.04579	2.4
223.00259	0.7
223.02536	2.3
225.05540	0.7
227.07103	2.7
233.04491	1.5
235.02499	14.4
239.05565	1.9
239.07539	1.0
241.08760	1.6
243.06566	1.1
245.08228	1.4
247.02556	1.2
249.04095	1.9
261.03989	1.8
265.03503	5.4
265.08560	1.9
267.06540	0.9
267.76746	0.6
269.04373	1.0
269.08261	1.3
271.06137	4.7
281.08240	0.7
283.06079	2.2
283.09357	0.9
285.07700	0.8
293.08334	0.8
295.04739	0.7
313.07181	17.5
314.07532	1.5
325.07150	7.9
339.08810	1.2
343.08231	7.0
344.08524	0.9
353.06543	1.2
355.08240	85.0
356.08591	10.2
367.08344	4.4
368.07977	0.8
369.09821	1.0
379.08078	0.9
385.09280	66.1
386.09601	7.5
397.09375	3.8
399.10428	1.1
415.10410	20.6
416.10492	2.2
427.10468	1.7
439.10428	0.9
445.11423	0.9
457.11334	6.8
458.11935	1.2
469.11417	0.9
475.12479	38.9
476.12775	4.7
476.85489	0.8
487.12289	4.9
493.13797	0.8
505.06589	1.2
505.13501	11.1
506.13907	2.5
577.15509	4.9
595.16705	100.0
596.17084	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	595.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59937	0.7
52.75505	0.6
53.12879	0.6
57.03451	11.6
59.01375	2.3
69.54987	5.1
71.01385	0.9
72.09553	0.7
81.03480	3.5
83.01389	5.1
89.02468	0.9
93.03453	1.9
94.98419	0.7
95.05035	2.1
97.02967	8.1
99.04536	2.9
101.02449	3.2
108.02186	1.1
109.02967	27.1
110.03312	1.2
121.02975	5.7
122.03785	1.9
123.04542	21.3
124.04879	1.3
125.02462	20.3
133.03001	1.1
135.04549	2.6
137.02464	32.4
138.02824	0.8
139.04031	5.2
140.31358	0.7
145.02972	0.9
146.03734	1.4
147.04546	0.8
149.02461	10.1
149.06078	0.7
150.03178	1.8
151.04028	37.3
152.04352	2.2
153.01956	2.9
159.04521	2.2
160.05290	2.9
161.02438	2.6
161.06111	7.4
162.03278	4.2
163.03987	3.0
164.01173	4.4
165.01950	12.7
166.02672	0.8
167.03505	3.5
173.06056	1.1
174.03232	1.1
175.04012	4.1
175.07635	2.4
179.03494	10.6
185.06104	2.3
187.03996	7.4
188.04813	6.6
201.05586	1.2
202.06326	3.8
203.05354	1.5
203.07147	21.8
204.07413	1.1
205.05067	15.9
206.05400	1.3
212.04794	1.8
217.08763	1.2
221.08150	7.5
223.28879	0.8
227.07176	3.5
229.05072	1.1
230.05748	1.7
231.02968	1.1
245.08180	44.8
246.08566	3.7
247.06061	3.6
263.09238	1.3
271.06042	2.7
288.06360	1.1
289.07172	98.3
290.07513	10.7
305.09036	1.4
313.09528	3.6
433.11252	1.3
451.12442	100.0
452.12796	10.7
457.13516	2.4
469.75537	0.9
493.13495	48.4
494.13876	6.5
498.15414	0.7
533.16632	8.9
534.16406	0.8
595.16656	31.1
596.16937	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	595.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.01384	0.9
61.98828	1.3
66.00990	0.1
67.46813	0.1
71.01382	0.6
71.71362	0.2
72.46100	0.1
73.02951	2.7
83.01414	0.2
85.02977	0.2
87.00933	0.2
88.98819	0.3
89.02464	0.3
99.00871	0.4
99.92597	9.0
100.92599	0.4
101.02459	0.4
107.01369	0.2
109.02984	0.4
113.02510	0.3
114.93449	0.4
116.92880	100.0
117.01958	5.7
117.92889	5.4
123.04570	0.3
125.02454	0.3
135.04597	0.3
136.06050	0.2
145.84506	0.1
151.00404	0.4
153.01944	0.2
177.02017	0.2
182.82362	0.2
191.05640	0.5
199.04034	0.3
243.03023	1.0
261.04025	1.4
285.04047	0.3
300.02322	0.2
373.18658	0.4
447.53806	0.2
453.63605	0.2
477.10172	1.0
595.17010	0.4
595.29785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1307
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01375	0.4
61.98853	0.4
63.02389	0.4
63.84409	0.2
65.00333	1.2
69.77930	1.9
70.05100	0.2
76.52203	0.3
83.01386	0.9
84.19550	0.2
93.03447	0.4
94.41249	0.2
102.60472	0.3
107.01421	2.5
108.02193	1.1
109.02990	1.9
121.02988	2.0
122.03719	0.4
123.00854	0.3
125.02460	0.6
135.00908	0.8
136.05264	0.4
137.02486	0.5
140.34026	0.2
148.01700	1.3
150.03261	1.1
151.00392	12.4
151.04002	0.4
152.00821	0.5
159.04449	0.5
163.00415	2.8
164.01190	0.6
165.01950	0.3
165.05580	0.9
169.01538	0.6
178.99881	6.1
181.05096	0.3
181.08159	0.3
183.04500	0.3
187.03999	0.4
190.99883	0.3
191.05710	0.6
192.00626	0.3
193.01430	0.4
195.06686	0.8
199.03998	0.9
201.01944	0.3
201.05533	0.6
203.03595	0.4
211.04059	1.0
213.01944	0.2
215.03426	0.5
216.04256	0.6
226.02670	1.5
227.03526	2.4
228.04034	0.5
229.01407	0.3
229.05037	0.7
239.03424	0.4
243.02966	8.6
244.03441	1.0
245.04575	1.3
254.02243	2.5
255.02985	25.3
256.03394	2.7
264.13013	0.3
271.02466	50.9
272.02884	5.7
273.03882	1.5
283.02478	0.9
299.01978	1.0
299.05389	0.5
300.02762	89.0
301.03467	41.8
302.03873	3.2
327.05124	0.3
343.04526	0.5
343.11661	1.5
391.13892	1.8
463.08835	0.4
479.11954	0.4
499.06558	0.4
547.24200	0.3
595.13080	100.0
596.13422	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	594.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73661	0.3
53.46747	0.3
56.97601	0.4
57.03444	2.5
61.98834	100.0
66.29001	0.4
71.01381	1.9
72.99282	0.3
73.02966	0.7
78.95922	1.0
83.01401	0.4
85.02958	0.9
86.10514	0.4
87.00891	1.0
88.98828	0.5
89.02463	1.5
93.03447	0.7
95.05022	0.4
97.02964	0.4
99.00905	1.0
99.04538	1.0
101.02486	1.3
111.00903	0.9
111.04543	0.3
113.02473	0.6
119.08658	0.3
125.02472	0.8
125.06121	1.2
125.09877	0.4
133.03033	0.6
134.03799	1.3
135.04591	0.6
135.73204	0.3
137.02519	0.5
139.00386	0.5
140.01204	1.0
141.01968	1.1
161.04601	0.9
163.07698	0.5
165.99161	0.6
166.99928	0.5
167.03554	0.5
168.00659	4.9
179.03548	0.7
179.07133	2.5
181.08772	0.6
191.03859	0.3
191.05707	1.6
195.06686	0.9
206.05896	0.5
207.06650	2.7
209.04659	0.6
215.03941	0.4
223.06169	1.3
224.06909	26.4
225.07674	27.6
226.08015	2.2
236.06874	0.4
237.07793	1.1
253.09616	0.4
369.11942	0.6
387.12970	20.3
388.13348	2.3
429.14087	6.9
429.19644	0.6
430.14523	0.9
469.17340	0.8
531.17181	25.6
532.17419	4.4
533.28387	0.9
534.29510	0.5
594.30786	0.5
595.21667	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	594.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
57.90199	0.1
59.01375	1.5
61.98832	100.0
62.98537	0.3
71.01395	1.2
71.71947	0.2
72.99300	0.2
73.02960	0.2
74.02472	0.1
80.23458	0.1
81.03419	0.1
83.05038	0.1
85.02974	0.5
87.00888	0.3
88.98819	0.8
89.02463	0.5
93.03498	0.3
95.01391	0.2
99.00944	0.1
99.04551	0.1
101.02456	0.7
103.60604	0.1
105.01975	0.2
109.02992	0.3
109.06609	0.1
111.04560	0.1
113.02489	0.4
119.03477	0.1
125.02485	0.3
127.03871	0.1
133.01471	0.1
135.04506	0.2
137.02483	1.2
139.04033	0.2
143.03493	0.1
149.40314	0.1
150.03214	0.2
151.03989	0.1
161.02544	0.1
163.03894	0.1
164.01242	0.1
164.11757	0.1
165.02054	0.2
165.05713	0.1
172.05377	0.2
173.04588	0.4
179.03571	0.4
180.04153	0.1
187.04114	0.3
191.05627	2.1
192.05937	0.2
202.06282	0.1
205.05125	0.2
207.10316	0.4
208.10631	0.2
209.11833	0.6
225.11423	0.1
258.01276	0.1
273.03909	0.9
283.13504	0.5
284.13937	0.3
288.05862	0.2
327.16229	0.3
343.08151	0.6
344.01035	0.1
397.13913	0.1
417.09781	0.1
453.69791	0.2
475.70422	0.2
505.13831	0.5
533.29279	0.2
534.29156	0.6
585.23956	0.2
594.30231	0.1
595.22406	0.6
595.30444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
58.02978	1.3
69.03455	0.7
74.02484	2.7
81.03458	2.0
83.01399	1.9
86.02498	1.6
87.05695	0.7
93.03477	1.4
94.81393	0.5
95.05044	1.5
97.02958	2.7
98.19919	1.6
99.04532	2.3
99.05654	1.9
106.04163	0.5
109.02975	1.6
119.05046	1.6
121.02958	2.4
123.04543	1.2
125.00696	2.7
125.02466	22.7
128.03546	8.1
137.02470	22.4
138.02757	0.6
138.98602	1.0
139.04019	3.3
139.99388	1.1
141.00182	10.8
142.00536	0.7
143.04634	11.9
144.05005	0.8
146.04613	0.9
149.02452	7.6
153.00180	7.0
154.00822	0.8
155.01715	1.6
159.04593	0.7
161.02428	3.2
163.04184	0.8
164.01204	1.9
165.00166	15.8
165.01878	2.9
166.00571	0.8
167.03513	11.3
167.04887	0.8
173.06155	0.7
177.00174	0.9
179.03413	4.3
179.04836	1.3
179.98868	1.8
180.99666	10.4
182.00023	0.8
183.01218	15.0
184.01660	0.8
185.05931	0.7
191.01790	0.7
191.05487	0.8
192.99696	0.5
193.03296	1.6
195.01176	0.9
200.04755	0.7
201.05646	1.3
203.03459	0.6
210.08905	2.3
219.01271	1.0
235.04324	1.9
243.06599	1.2
253.05406	1.1
254.07861	3.8
272.08868	28.2
273.09158	1.6
277.05344	2.6
278.05844	0.7
279.03345	1.2
303.03299	3.7
306.07568	0.9
313.06958	0.7
321.04379	100.0
322.01169	1.2
322.04706	10.5
325.07147	0.7
327.81570	0.5
355.08267	3.2
385.09305	1.5
456.11096	1.1
475.12369	1.1
594.13940	1.8
595.16803	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	594.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
58.02977	5.3
59.11222	0.4
65.73880	0.3
66.03485	0.5
69.03460	0.4
69.39731	0.3
70.02998	0.4
71.01386	0.4
71.38297	0.7
72.00905	0.4
74.02476	12.1
81.03468	0.8
81.04581	0.5
82.02981	0.7
83.01389	1.6
84.04549	0.4
86.02487	4.9
86.06129	0.7
87.05660	1.8
88.04004	0.3
89.02432	0.5
93.03489	0.9
94.51682	0.3
95.01411	0.4
95.02522	0.5
95.21280	0.3
97.02972	0.8
97.04099	1.4
99.04591	0.4
99.05650	10.9
99.06285	0.7
101.07231	1.4
102.05626	1.6
109.02957	1.4
109.04082	1.3
111.05681	0.4
112.04059	1.2
113.03589	0.5
118.59759	0.3
119.05051	1.1
121.02990	1.8
122.03764	0.5
123.04611	0.7
123.05637	0.8
124.04060	0.5
125.02467	30.0
126.02781	1.2
127.05141	0.6
128.03555	33.0
129.03886	1.1
133.02988	0.5
135.04585	0.6
135.05653	2.0
137.02460	6.6
137.07214	0.7
138.98621	0.4
139.04033	0.8
139.99385	1.2
141.00185	10.6
141.06702	1.6
142.00473	0.5
143.04642	46.3
144.04955	1.5
145.02968	0.4
145.06215	1.7
146.04625	3.8
149.02458	5.2
151.03992	1.1
153.00189	1.9
153.06691	0.9
155.01727	1.3
158.03798	0.3
159.04520	0.8
160.01720	0.4
161.02464	7.2
164.01166	2.4
165.00366	0.5
165.01958	4.3
166.09883	1.8
167.03426	1.7
167.04671	1.2
167.08273	1.2
173.06079	0.8
175.04012	1.4
177.05624	0.4
179.03419	1.7
179.04742	7.6
180.99670	1.1
181.06209	1.3
183.01224	12.6
184.01448	0.6
184.10913	0.5
185.05705	2.2
187.24677	0.5
191.01819	0.5
192.07808	1.3
192.99741	0.6
193.03323	0.4
195.01216	0.8
197.05797	1.0
200.04721	1.2
201.05617	3.0
203.03494	1.4
204.04158	0.8
210.08871	8.2
211.09050	0.4
215.07211	0.9
217.05008	0.6
219.01140	0.4
219.06699	0.5
225.05595	0.6
235.04324	1.4
237.02255	1.9
243.06586	2.7
245.04570	0.4
254.07817	13.8
255.08174	1.0
269.04214	0.5
271.02365	1.0
272.08862	100.0
273.09143	7.1
277.05389	3.1
278.05716	0.4
287.05655	1.8
288.06323	0.7
289.07455	0.4
299.02118	2.0
301.03595	0.8
306.07724	0.9
321.04391	41.6
322.04758	4.4
355.08328	1.3
385.09262	1.4
451.12222	0.5
456.10776	8.9
457.11020	1.6
462.08160	0.4
465.09695	1.3
475.12469	0.6
594.14032	13.6
595.14569	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	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91083	0.6
59.01379	1.5
61.98835	1.8
63.60049	0.5
66.42432	0.5
66.91249	0.5
70.49016	0.5
71.01440	0.7
71.57414	0.5
71.71823	0.5
78.95911	66.1
83.05053	0.5
85.11938	0.6
96.96982	11.9
96.97577	0.8
109.67036	0.6
112.22781	0.5
150.98062	1.6
152.74672	0.6
152.99619	95.9
153.99982	1.8
171.00638	3.5
207.23808	0.6
209.11809	0.6
223.00119	10.5
241.01189	25.7
242.01544	1.4
259.02264	1.1
259.95789	0.7
277.21725	49.5
278.22046	5.0
315.04895	12.5
316.05225	0.7
325.06888	0.6
333.05936	1.3
571.73785	0.7
593.27350	100.0
594.27698	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	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98839	0.4
69.97610	1.1
69.98025	1.6
78.95913	67.8
87.70362	0.4
96.96980	13.5
116.92847	0.5
150.98055	0.8
152.99620	97.3
153.99963	1.9
171.00674	2.8
213.31856	0.4
223.00131	10.3
233.22908	0.5
241.01193	24.2
242.01608	1.1
259.02225	1.3
259.20752	0.5
267.03018	0.5
275.20175	0.6
277.21722	49.4
278.22049	6.1
315.04868	15.2
316.05249	1.1
333.05881	0.9
338.73819	0.5
344.24313	0.5
350.10950	0.7
357.97513	0.5
359.45688	0.4
463.67319	0.5
535.06830	0.6
593.27344	100.0
594.27722	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
61.98833	28.2
63.96225	0.9
63.99228	0.5
64.77099	0.5
69.03447	0.7
71.01385	6.7
72.99307	0.7
73.02939	1.7
75.00881	0.7
78.95889	1.0
78.98608	4.4
79.95263	1.1
79.95742	29.5
80.96523	46.5
81.03442	1.3
82.96092	0.5
85.02966	3.1
87.00894	2.9
87.01352	0.6
93.03484	0.5
94.97541	0.9
94.98098	11.1
96.96010	1.6
97.02922	1.0
99.00875	1.1
101.02436	2.0
106.98105	1.9
122.97632	3.3
125.02471	3.9
127.04012	1.3
134.97597	3.6
136.99152	1.3
137.02446	1.0
139.04024	0.7
148.99159	5.0
152.98630	4.1
161.04510	1.0
162.85912	0.5
164.98640	8.9
165.01834	0.8
179.25714	0.6
191.05643	2.7
195.13942	1.5
206.99753	2.9
225.00742	13.0
226.00919	0.7
241.00220	2.2
277.21597	1.0
283.13489	0.7
295.22769	4.9
299.04462	4.5
315.03922	1.2
341.05466	0.9
371.06418	2.7
372.06714	0.5
385.08099	1.2
399.09692	1.5
413.11389	1.2
441.14246	1.5
455.15970	3.1
495.18958	2.3
520.30359	4.9
593.26373	100.0
594.26630	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2641
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01376	1.6
61.98832	8.6
63.96232	0.8
67.42564	0.3
69.03453	0.5
71.01384	6.0
71.71287	0.5
72.01727	0.3
72.91702	0.2
73.02927	1.4
78.98595	4.6
79.95741	27.1
80.96523	46.9
81.03464	0.7
85.02953	2.3
87.00873	2.3
93.03445	0.5
94.98096	10.5
95.01416	0.4
96.96004	1.3
97.02955	1.3
99.00867	0.5
99.04543	0.3
101.02449	2.8
106.98113	2.0
111.04512	0.3
111.08139	0.3
113.02444	0.5
116.92905	0.3
122.97601	4.5
125.02461	2.7
127.04039	0.8
134.97610	3.8
136.99121	1.3
137.02455	0.8
148.99165	4.5
152.98651	5.7
161.04565	0.8
164.98631	8.0
165.01863	0.4
165.98936	0.3
167.00169	0.3
177.02045	0.3
179.00244	0.5
182.99718	2.3
191.05598	2.1
195.13870	0.6
196.75455	0.3
197.01241	0.4
206.99663	3.4
209.11780	0.3
223.13348	0.4
225.00740	16.6
226.01062	0.8
241.00229	1.2
243.01718	1.9
293.21213	0.8
299.01434	0.4
299.04483	3.9
315.03824	0.8
316.99393	0.3
371.06735	1.5
385.08093	1.2
399.09583	1.7
403.44275	0.3
413.11240	1.1
432.98917	0.4
441.14166	0.5
455.16055	2.3
456.16208	0.6
495.18854	1.5
523.18408	0.9
524.19122	0.9
547.87183	0.3
593.26385	100.0
594.26733	17.7
594.36688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48578	0.4
55.17652	0.5
55.92062	0.4
57.03450	6.5
59.01383	4.7
61.98832	6.5
65.00331	8.8
71.01374	2.3
71.71775	1.0
73.02950	1.1
83.01379	4.7
88.98829	0.6
89.02474	1.1
95.01381	0.5
96.25845	0.5
99.00875	0.5
99.04515	1.5
101.02449	2.5
107.01407	15.4
107.13346	0.6
108.01720	0.8
109.02968	4.0
113.02480	0.8
123.04551	0.9
125.02461	9.1
133.03004	0.8
134.03789	1.5
135.04543	89.1
136.04880	3.6
137.02397	0.7
151.00389	100.0
152.00703	3.9
159.04568	1.1
161.02493	2.0
161.04596	0.9
164.01131	1.0
166.42693	0.5
169.01434	1.4
173.04613	1.2
173.06114	0.5
177.01949	3.4
177.05605	1.2
179.03511	14.3
180.03940	0.7
191.05646	2.3
199.04042	0.8
227.03622	1.2
243.06544	0.7
269.04532	12.0
270.04895	1.2
287.05609	60.4
288.05930	4.3
295.02539	1.7
297.09872	0.7
305.08746	0.7
341.09268	0.7
347.01239	0.6
402.36139	0.6
423.13004	1.8
431.10049	0.9
447.07007	0.7
449.10889	62.3
450.11246	7.3
486.57159	0.6
491.11902	30.4
492.12323	4.2
531.14935	5.5
532.15442	0.8
533.29407	0.8
593.14813	12.2
594.15308	2.4
594.24609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Datiscin
Peak:m/z	Relative Intensity
63.02410	0.3
65.00311	0.6
69.78474	1.6
69.78884	0.5
78.47510	0.3
83.01390	0.7
93.03483	1.4
100.38992	0.3
107.01405	2.1
109.02924	0.7
125.02489	0.5
131.05116	0.6
132.02191	0.9
135.00903	1.5
137.02452	0.5
143.05009	1.0
151.00389	3.0
153.01920	0.7
157.06624	0.7
159.04472	1.0
161.02486	0.4
163.00427	2.5
167.05023	0.6
169.06659	1.0
171.04539	1.0
178.99863	0.5
183.04543	0.8
185.06110	2.4
187.04001	3.0
188.04396	0.4
189.05553	1.2
195.04471	0.8
197.06084	1.0
198.03249	0.4
199.04021	1.1
201.05551	0.6
211.03989	2.9
212.04697	0.3
213.05545	2.0
214.02579	0.3
215.03467	0.6
227.03505	34.7
228.03859	3.4
229.05051	12.6
230.05403	1.1
239.03452	2.0
240.04123	1.0
241.05013	1.4
243.03014	0.4
255.02979	61.0
256.03479	8.4
257.01752	0.4
257.04523	7.4
258.04782	0.8
267.02933	1.1
283.02460	0.5
284.03262	66.1
285.04016	90.7
286.04388	8.9
318.42606	0.3
327.05148	1.2
398.27060	0.4
545.17358	0.3
593.15131	100.0
594.15497	20.6
594.22961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96104	0.1
59.01384	0.4
61.98834	100.0
62.98555	0.2
63.99285	0.1
64.85275	0.1
65.46439	0.1
71.01417	0.2
71.71357	0.1
71.71732	0.1
78.95904	0.2
80.96552	0.2
87.00912	0.1
94.40094	0.1
99.92593	0.1
101.02460	0.1
111.08168	0.1
116.92881	0.2
125.02467	0.2
151.00369	0.1
154.79977	0.1
173.04651	0.1
191.05690	0.4
204.35480	0.1
209.11882	0.2
210.50946	0.1
211.13437	0.1
212.13744	0.1
293.21292	0.4
294.21579	0.2
350.54562	0.1
473.08603	0.1
592.25330	0.3
593.27258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03451	2.3
59.01087	0.6
59.01382	12.7
60.41599	0.4
61.98831	4.8
63.02393	0.5
69.03461	1.3
69.57069	0.5
69.57467	3.3
71.01389	32.6
72.01742	0.6
72.99312	1.1
73.02953	13.9
74.99075	0.6
75.00871	1.6
83.01401	3.9
85.02966	13.5
87.00885	1.8
89.02458	6.3
95.01414	2.3
97.02962	2.0
97.75691	0.4
98.20734	0.4
99.00892	7.0
101.02460	22.5
107.01395	1.0
109.40148	0.4
111.00892	0.9
113.02475	12.9
115.04017	1.0
119.03462	0.4
120.76394	0.4
121.02987	4.0
125.02458	4.1
129.01978	0.7
131.03519	1.9
132.05907	0.5
133.02975	1.7
136.99190	0.7
143.03494	1.6
149.02460	0.8
149.04567	1.4
151.00398	4.1
152.01086	0.5
159.03023	2.4
161.04573	11.0
172.48982	0.4
175.04002	0.8
177.01927	0.6
178.99963	1.8
187.11311	0.7
191.05644	1.8
193.01431	0.6
197.11819	1.8
198.78894	0.4
199.04060	1.0
209.08179	0.5
215.03505	0.6
215.07233	0.4
217.05078	1.1
231.06670	0.5
231.10214	1.4
233.06621	1.1
237.81668	0.4
241.05055	0.7
243.03030	0.5
256.03683	1.0
257.04355	0.6
271.02429	0.5
283.02631	0.5
284.03180	1.7
285.04050	27.8
286.04419	3.2
299.01999	0.6
300.02826	0.7
301.03543	0.7
369.06042	1.4
369.22641	0.5
395.07581	1.3
397.09277	0.7
399.19107	0.7
399.23907	9.4
400.24390	1.9
412.08182	0.6
413.08734	1.5
414.09406	0.6
445.11325	0.5
447.09412	10.6
448.09851	2.2
474.95508	0.4
489.10382	3.9
490.10764	0.9
529.13037	0.7
531.28088	100.0
532.28381	18.6
532.36554	0.9
559.14783	4.8
560.15070	0.8
591.17401	2.8
592.18256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03457	3.9
58.00583	1.4
59.01382	71.9
61.98834	23.5
69.03440	1.0
70.68771	1.2
70.69151	2.4
71.01387	63.1
72.01717	1.1
72.99308	2.9
73.02953	19.4
75.00891	1.8
83.01392	9.7
85.02959	28.8
87.00887	2.6
88.98819	2.6
89.02452	19.9
95.01388	4.9
97.02956	1.1
99.00896	10.3
101.02457	51.0
102.02837	0.9
111.00880	1.1
113.02467	28.0
119.03513	4.0
119.46429	0.7
125.02487	3.5
129.01929	1.0
131.03522	37.5
132.03838	1.5
143.03551	3.6
147.08235	0.7
149.04578	3.1
159.03038	5.3
161.04572	25.4
171.10399	0.7
179.05623	2.2
191.05693	4.7
201.11208	0.9
205.03514	0.8
229.99226	0.7
233.06717	1.0
237.18550	1.1
316.07419	0.8
326.07593	0.9
327.08191	1.7
343.07773	0.9
344.08463	0.9
367.24722	0.9
399.23892	100.0
400.24197	12.7
429.15451	0.8
443.22934	12.8
444.23074	1.4
506.13211	1.5
508.14963	0.8
513.27118	2.7
531.28088	89.8
532.20679	1.2
532.28412	17.2
614.82080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03441	2.2
58.00588	1.2
59.01384	37.3
59.79548	0.6
61.98832	9.3
65.00301	0.9
68.99565	0.5
69.03433	0.9
69.65396	2.1
69.65822	2.5
71.01387	52.8
71.79460	0.6
72.01716	1.0
72.99309	1.6
73.02953	16.1
75.00882	1.4
78.95863	0.7
81.03437	0.6
83.01394	8.4
85.02959	26.0
86.03260	0.6
87.00877	1.8
89.02451	5.9
95.01405	4.8
97.02957	2.0
97.35812	0.6
99.00893	9.1
101.02455	38.3
102.02797	1.0
107.01379	1.5
111.00900	0.9
113.02462	24.6
125.02464	3.4
129.01938	1.3
131.03522	16.9
143.03525	2.9
149.02496	0.7
149.04564	1.0
151.00400	3.7
151.04062	0.8
152.00787	0.9
159.02983	5.6
161.04578	33.2
171.41174	0.6
178.99837	1.2
191.05519	0.9
205.03429	0.8
261.04095	0.7
294.96130	0.5
301.03635	1.1
329.05511	0.7
369.06274	1.7
387.14633	0.8
395.08212	1.0
397.09256	1.1
399.23898	100.0
400.24200	16.0
439.09286	0.7
443.22961	1.6
447.09073	0.8
531.28082	45.4
532.28534	6.8
559.14569	5.3
560.14966	0.9
566.68829	0.7
591.17963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51512	0.1
59.01376	0.2
61.98833	100.0
62.98539	0.1
63.36036	0.1
66.78648	0.1
70.63383	0.2
70.63780	0.2
71.01389	0.1
78.95924	0.1
80.96516	0.2
191.05663	0.1
209.11908	0.1
391.79654	0.1
474.35672	0.1
590.32733	0.2
591.24976	0.5
591.34094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.8
59.01377	4.6
61.98836	6.5
63.02390	0.8
65.00343	1.2
68.99593	1.4
69.91667	4.2
73.02956	1.0
83.01408	1.9
85.02970	1.0
88.98830	1.8
89.02486	1.3
93.03481	2.0
95.01377	0.7
99.04539	2.1
101.02463	2.0
102.38868	0.6
105.57407	0.6
107.01418	3.4
109.02990	1.7
112.98617	2.0
113.02464	1.9
115.97349	0.6
121.02919	0.9
123.04562	1.1
125.02467	2.8
131.03545	0.7
132.02158	0.9
135.00911	2.1
137.02510	1.3
137.32002	0.6
148.01627	0.7
151.00386	7.4
151.04030	0.8
152.01193	0.8
153.01947	0.8
159.04527	1.3
163.00389	3.3
164.01105	1.1
165.01895	1.3
167.05098	0.8
169.01392	1.1
169.06581	0.8
170.58687	0.7
172.05263	0.6
178.99887	2.6
185.06123	2.2
187.04057	3.1
189.05585	1.6
191.05592	1.2
197.06122	1.4
199.04056	1.2
201.05527	1.0
211.03996	2.2
213.05560	2.3
215.07118	0.9
227.03505	27.9
228.03897	2.2
229.05060	10.2
230.05424	1.2
239.03500	2.3
240.04045	0.9
241.04942	1.8
243.03023	1.7
255.02974	62.9
256.03479	8.1
257.04529	6.7
258.04709	0.7
267.02954	2.0
271.02493	5.2
271.05188	0.9
283.02475	1.7
284.03259	88.7
285.04016	100.0
286.04398	8.6
289.07153	2.4
300.02707	8.8
301.03510	7.0
301.06873	1.1
306.07529	0.7
327.05249	0.8
379.07977	1.2
397.09390	3.2
415.09711	1.2
447.09348	42.3
448.09656	6.3
463.08792	0.7
489.10370	53.5
490.10748	8.4
529.13501	23.9
530.13684	3.8
531.11261	1.0
547.27393	0.8
559.14490	1.0
573.12213	0.7
587.77502	0.7
591.13501	25.5
592.13708	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	589.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03431	0.5
57.24184	0.3
58.00587	1.2
59.01377	19.9
59.59106	0.3
61.98832	12.8
62.39946	0.2
69.03450	0.8
69.69650	1.4
69.70061	0.5
71.01385	19.4
72.01732	0.3
72.99307	2.0
73.02951	8.6
75.00872	1.0
81.03430	0.3
83.01386	1.0
84.02251	0.3
85.02962	3.1
87.00868	1.0
89.02454	19.1
90.02802	0.4
95.01396	0.6
97.02950	0.8
99.00893	21.4
100.01235	0.7
101.02454	9.6
113.02470	3.1
115.04021	0.4
116.92835	0.3
119.03493	1.0
125.02458	2.2
125.09702	0.3
129.95172	0.3
131.03540	2.2
139.06282	0.3
143.03479	0.3
143.10782	0.8
148.30255	0.3
149.04576	2.3
159.10217	0.6
161.04552	0.6
171.10260	0.5
191.05637	4.0
209.11832	1.5
211.13409	1.1
223.17076	1.5
233.15468	0.3
235.16765	0.3
259.73801	0.3
277.21713	3.9
278.21964	0.6
295.22766	4.0
296.23138	0.5
324.41373	0.3
424.44907	0.3
439.27032	0.7
457.27997	7.0
458.28491	0.8
547.48822	0.3
571.31360	0.4
589.32324	100.0
590.32623	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	590.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20826	0.2
52.16639	0.1
55.21389	0.1
59.01378	2.0
61.98832	100.0
62.98542	0.2
69.75858	0.7
69.76266	0.5
71.01394	1.6
73.02959	0.6
81.23705	0.1
85.02968	0.9
87.00871	0.2
89.02460	1.0
89.93654	0.1
93.03458	0.3
96.96058	0.1
99.00900	0.2
101.01842	0.2
101.02459	1.3
109.02975	0.2
113.02472	0.8
115.04094	0.2
119.03516	0.2
125.02469	0.2
131.03514	0.8
135.04559	0.8
137.02522	0.2
149.04590	0.3
151.00412	0.4
161.04614	0.6
178.99942	0.2
179.03598	0.2
179.30885	0.2
191.05623	4.0
192.06050	0.3
204.04077	0.2
205.04556	0.3
207.05087	0.2
227.43860	0.1
233.08212	1.5
234.08516	1.6
235.08708	0.7
236.09018	0.4
242.02200	0.2
243.03008	0.2
255.02989	0.2
271.02429	1.8
272.03134	0.4
272.42242	0.2
283.02237	0.2
285.04019	0.2
299.01956	2.7
300.02670	1.2
301.03381	0.2
308.06534	0.2
325.07330	0.3
326.07632	0.5
342.07468	0.4
343.07965	0.3
348.16214	0.1
353.08908	0.5
398.22775	0.2
399.23865	1.9
414.08759	0.3
504.12482	0.2
505.12994	0.7
506.13449	0.2
520.44714	0.2
531.27960	2.6
590.19806	0.3
591.18225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.9
59.01379	22.1
61.98822	2.0
71.01401	3.5
71.71574	2.7
72.99316	32.1
75.00880	58.7
79.05545	1.9
83.05054	6.0
85.02981	1.9
87.00907	2.5
87.04537	2.7
97.06579	2.6
103.00412	3.6
109.02977	2.8
113.02469	1.8
119.05035	2.1
121.03009	1.4
123.04556	3.8
123.08155	2.8
125.02427	3.5
129.24159	1.3
133.10269	1.6
135.04588	2.2
137.02524	3.2
149.02489	1.9
149.06038	1.5
150.03323	2.2
151.04018	1.7
161.09760	1.5
161.49603	1.3
163.46204	1.2
164.01202	1.4
165.05606	2.2
175.11308	4.8
177.09126	1.9
179.00026	1.4
187.04129	1.9
191.05734	2.2
195.06633	2.8
205.05206	1.7
205.08809	2.6
225.11407	4.0
237.11287	11.1
245.08266	3.0
255.12376	100.0
256.12671	7.3
269.10355	3.5
270.09900	1.6
271.09653	2.3
281.10309	50.5
282.10614	4.4
289.07214	11.1
299.11365	63.3
300.11676	5.1
402.69058	1.6
589.10046	2.3
589.25488	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	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.2
61.98832	9.1
71.01395	3.6
71.28908	0.7
71.29255	0.3
73.02956	0.8
75.27193	0.3
79.42622	0.3
83.01406	0.5
85.02974	0.9
87.00880	0.4
89.02444	3.6
96.95971	0.4
99.00932	0.4
101.02453	3.6
101.49651	0.3
109.02981	0.6
113.02465	2.1
119.03520	0.9
125.02470	0.5
125.06148	0.4
126.82084	0.3
127.11310	0.4
128.03546	0.6
145.05037	0.5
146.04640	1.7
148.08983	0.5
149.04625	0.6
150.10503	0.5
157.08751	0.4
161.04593	1.0
163.11304	0.7
165.12868	12.0
166.13138	0.9
171.10297	8.9
172.10609	0.5
179.05588	0.5
191.05600	0.8
191.14442	0.5
197.11838	6.6
198.12233	0.4
201.11229	0.5
203.25159	0.4
211.13377	0.6
233.15480	1.8
235.08212	0.7
247.20665	6.9
248.21069	0.6
253.09277	14.8
254.09668	0.7
273.18591	4.6
274.18793	0.5
291.19666	100.0
292.20016	10.2
298.78720	0.4
320.24927	0.3
397.24011	0.4
441.22894	2.0
527.27893	0.4
587.28790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03443	0.3
58.00593	1.1
59.01382	21.7
59.46693	0.2
60.01701	0.4
61.98835	3.0
67.25314	0.2
69.03451	1.0
69.70995	1.7
71.01387	20.3
71.66820	0.2
72.01729	0.4
72.99316	1.4
73.02956	9.4
75.00870	1.0
83.01397	0.7
85.02962	2.5
87.00883	1.0
89.02457	19.8
93.82094	0.2
95.01392	0.3
97.02969	1.1
98.20556	0.3
99.00894	23.5
100.01218	0.5
101.02458	8.7
108.22123	0.2
113.02474	2.1
115.04042	0.3
119.03513	0.7
120.37293	0.3
122.15179	0.2
124.23756	0.3
125.02476	1.1
129.02011	0.3
131.03516	2.8
141.01970	0.4
149.04596	2.1
154.50194	0.3
161.04543	0.8
170.22160	0.3
171.10248	0.7
176.58994	0.2
183.10284	0.9
191.05626	3.8
197.11839	0.4
223.13380	0.3
231.21188	0.2
233.15485	0.3
275.20169	2.3
277.21814	2.0
293.21234	5.1
294.21472	0.6
382.51840	0.3
400.64508	0.2
455.26437	2.0
456.26898	0.4
587.30768	100.0
588.31085	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98829	0.9
63.02407	0.2
63.72824	0.1
63.87540	0.1
65.00317	0.2
69.51415	0.3
69.51844	0.5
72.11353	0.1
89.02454	0.1
96.95999	0.2
101.02437	0.1
107.01379	0.1
125.06126	0.2
131.03542	0.1
149.02477	0.2
150.03218	0.4
161.02426	0.1
165.05591	0.4
177.01863	0.1
188.98228	0.1
189.09261	0.3
191.05609	0.2
195.06656	0.4
203.03522	4.9
204.04292	9.8
205.04819	0.9
218.05836	0.7
233.08202	100.0
234.08540	8.4
290.04227	0.1
313.03680	0.1
333.15390	0.1
361.12820	0.2
415.84805	0.1
587.26837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84084	0.3
57.03431	0.4
58.00594	1.1
59.01382	24.0
60.01709	0.5
61.98834	7.2
63.12938	0.3
69.03458	1.1
71.01388	22.8
71.03229	0.3
71.71821	0.4
72.01741	0.3
72.99317	1.4
73.02953	9.7
75.00871	0.6
83.01391	0.8
83.05058	0.3
85.02966	2.7
87.00876	1.0
88.98784	0.3
89.02457	25.3
90.02783	0.4
96.96038	0.3
97.02970	1.8
99.00895	25.7
99.97703	0.3
101.02460	9.8
111.08186	0.4
113.02465	2.6
115.04004	0.5
116.92966	0.3
119.03514	0.9
123.04610	0.3
125.02458	2.3
131.03514	3.7
143.03548	0.6
149.04584	6.3
157.74078	0.3
161.04568	0.9
171.10281	2.1
174.03133	0.3
179.14493	0.5
184.74109	0.3
191.05626	9.2
197.11880	1.4
221.06651	0.5
223.13391	0.9
233.15457	1.0
251.07855	0.4
275.20105	1.8
276.20578	0.4
277.21817	0.6
293.08786	0.4
293.21225	11.4
294.21631	1.6
386.57742	0.3
455.26569	1.5
531.61987	0.3
587.30780	100.0
588.31140	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4009
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
55.25105	0.3
57.03405	0.3
59.48164	0.3
69.38497	3.8
79.01890	0.9
85.06594	0.9
95.12021	0.3
101.89462	0.3
102.91555	0.3
107.05045	0.6
111.04530	4.5
111.08212	0.6
116.08161	0.3
116.39616	0.3
123.04517	1.4
123.08169	1.2
151.04031	7.1
163.11305	0.3
165.05569	0.6
165.09250	0.7
166.02739	0.8
177.01910	0.9
177.09189	0.9
179.03540	0.7
180.04274	1.1
191.10744	0.4
193.08684	2.0
203.07143	3.6
207.06642	4.5
208.07387	2.9
209.08232	2.2
221.08197	78.6
222.08743	9.1
223.09331	0.5
233.08238	0.4
235.09790	4.4
235.17014	0.4
235.26169	0.3
236.10010	0.4
249.11319	0.6
253.13429	0.3
254.08061	0.4
263.12683	0.6
275.12811	0.4
287.20282	1.7
301.14508	0.4
319.15503	3.6
320.16080	1.1
321.15704	0.4
361.15790	0.7
361.20209	11.7
362.20486	1.1
471.27863	0.4
514.32672	0.4
539.40063	0.5
568.36780	0.3
583.40070	100.0
584.40460	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4166
Annotation	Ingenol-20-hexadecanoate
Peak:m/z	Relative Intensity
53.29785	0.5
57.03464	0.6
58.30610	0.5
59.40987	0.5
70.67030	0.6
89.01726	0.6
111.04523	3.3
121.06590	0.7
123.04562	1.6
123.08186	2.0
135.08212	0.6
151.04039	2.9
155.14430	3.3
163.04050	0.6
165.05553	2.2
177.09164	1.0
180.04205	1.1
189.09367	0.7
191.10750	1.9
203.07086	1.5
207.06664	5.9
208.07471	4.2
209.08107	2.3
217.08728	1.0
219.06639	1.4
219.40540	0.6
221.08202	39.5
222.08797	6.2
233.08162	7.2
234.08937	1.7
235.09763	37.3
236.10072	2.6
247.17088	1.6
249.11278	0.8
259.09613	0.6
263.12769	2.9
275.12927	1.5
277.10791	1.1
279.12375	2.7
286.29816	0.6
289.14468	1.5
291.16052	2.2
303.16031	3.4
327.15796	0.6
328.76892	0.6
343.19156	3.6
357.20734	2.0
358.20657	0.6
359.18524	0.7
360.19348	1.5
361.20212	5.3
362.20441	0.9
385.27570	0.8
401.27094	0.8
429.20746	1.4
429.26459	16.6
430.26712	3.4
459.30872	0.9
585.41626	100.0
586.41949	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
59.01383	2.1
61.98833	100.0
62.98537	1.2
62.99263	0.3
63.30190	0.3
63.99257	1.0
69.60814	2.0
69.61230	0.6
71.01398	0.7
71.77276	0.3
72.99314	0.3
85.02968	0.5
89.02445	0.3
89.58063	0.3
95.01423	0.7
99.04537	1.1
101.02460	0.9
108.02194	2.9
109.02986	0.4
110.00117	1.3
111.00922	2.4
113.02473	0.7
113.38462	0.3
116.92897	0.4
123.00915	5.7
123.04545	2.8
124.01683	56.9
125.02435	2.1
137.99640	0.6
138.03278	0.6
139.00403	22.1
139.04034	64.8
140.00699	0.5
140.04401	2.8
149.02414	0.3
151.00343	0.5
151.04034	0.3
153.00696	0.6
153.01961	11.1
154.02740	2.7
155.03554	0.5
165.05588	0.6
175.04048	0.3
176.04460	0.4
177.01968	0.4
191.05582	0.8
195.06531	0.4
199.04004	0.7
200.04381	0.4
218.02217	0.4
233.04486	0.7
243.02977	2.0
244.03337	1.4
255.06921	0.3
261.04077	2.6
262.04730	10.2
263.04984	0.8
267.14395	0.3
270.09152	0.3
277.07175	46.6
278.07523	3.9
305.08527	0.4
385.12537	0.3
418.08463	0.5
419.11273	0.4
421.11557	0.5
439.12479	37.4
440.12863	5.0
478.10706	1.8
481.13544	16.9
481.18811	0.3
481.20737	0.4
482.13940	2.4
520.11847	2.8
521.17383	1.9
522.33423	0.3
523.34601	1.2
560.36737	0.4
583.16406	2.1
583.24652	0.4
584.16864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.9
59.01385	1.5
59.68701	0.2
61.98833	1.1
64.11423	0.2
69.41198	2.0
71.01394	0.6
73.02929	0.2
85.02961	0.2
88.16093	0.2
93.03480	0.3
95.01402	0.8
98.20690	0.3
99.04525	1.3
101.02452	1.3
108.02175	3.3
110.00107	1.7
111.00906	3.0
122.03780	0.2
122.99998	0.3
123.00171	0.1
123.00902	7.0
123.04539	5.0
124.01678	93.6
125.02023	1.9
125.02479	2.1
137.02533	0.3
137.99619	0.7
138.03278	1.2
139.00403	32.4
139.04027	100.0
140.00682	1.0
140.04352	4.2
149.02463	0.2
150.03262	1.6
153.01956	14.1
154.02753	1.6
161.04575	0.8
165.05562	1.4
165.88620	0.2
191.44371	0.2
195.06667	0.9
217.05098	0.2
224.35274	0.2
229.01257	0.2
233.04645	0.2
259.06100	0.3
261.03986	0.7
262.04810	13.7
263.05188	1.3
275.05600	0.5
276.06421	0.8
277.07159	88.0
278.07520	7.5
280.53043	0.2
282.11838	0.2
305.08954	0.6
319.08325	0.4
357.13458	0.4
421.11389	1.4
431.26498	0.3
439.12460	39.0
440.12790	5.4
440.18796	0.4
449.27917	0.2
481.13510	14.2
482.13831	2.2
521.16632	2.1
522.17401	0.3
535.19696	0.6
583.16614	2.3
584.16925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
61.98824	0.9
65.09330	0.4
71.01382	1.8
71.71729	0.5
72.99297	1.3
75.00880	6.2
81.03474	1.0
83.01363	0.9
83.05037	2.7
84.99316	0.5
87.00883	2.6
89.02462	0.8
93.03461	6.7
99.00873	1.3
101.02434	0.8
103.00394	3.8
109.02913	0.5
111.00903	0.5
111.03798	0.6
111.04530	8.2
112.98826	6.2
116.69770	0.3
117.03479	0.7
117.39228	0.4
119.05043	21.8
120.05370	1.3
123.04516	0.6
125.02461	0.9
127.04082	0.4
137.02454	1.2
142.99864	0.5
145.01425	1.6
145.02966	3.4
146.08266	1.0
151.04025	0.9
155.03529	7.8
156.03894	0.6
161.02533	0.5
163.04021	20.8
164.04333	1.5
173.04532	1.1
191.05649	1.2
198.04550	0.7
199.02347	0.9
199.04199	17.6
200.04486	1.0
209.36238	0.4
213.81953	0.4
217.05220	0.6
241.05048	0.5
243.03131	0.5
259.11969	0.7
263.05771	1.0
271.02670	4.3
271.05951	0.7
271.70273	0.4
283.06216	1.4
288.02808	0.5
289.07260	0.7
299.05753	1.7
301.03519	0.4
327.05304	3.9
328.05685	0.7
333.06479	1.3
362.06500	0.5
363.08774	0.6
379.75156	0.4
387.07663	0.6
401.09067	0.5
419.10010	17.3
420.10373	1.5
421.16733	0.4
435.07321	0.5
437.11215	0.5
439.17529	1.7
440.62689	0.5
491.09991	0.6
507.62601	0.4
583.14832	100.0
584.15167	17.0
584.22778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0884
Annotation	Philonotisflavone-4'''-methyl ether
Peak:m/z	Relative Intensity
59.01369	1.1
61.98828	4.4
63.02379	0.6
65.00312	0.6
71.42363	0.6
73.53798	0.4
83.01398	0.7
87.00890	0.5
88.98814	0.9
89.02437	0.4
95.01469	0.4
107.01400	0.9
151.00403	1.5
156.83852	0.4
157.02902	0.5
169.01508	0.5
173.06111	0.9
175.03973	0.6
185.02467	0.4
191.05594	0.9
191.07150	0.5
213.66174	0.4
229.01416	29.7
230.01758	2.3
242.02145	1.4
243.03003	0.5
251.03540	0.6
257.00903	15.0
257.04120	0.7
257.04739	0.7
258.01617	4.1
259.02209	0.9
263.07056	0.7
267.02902	1.2
291.03021	0.5
293.04593	0.5
295.02576	3.6
297.03986	1.1
297.07516	0.7
307.02466	6.1
307.06143	2.1
308.02969	0.9
309.04041	1.0
319.02466	1.5
320.03195	1.2
321.03973	4.4
323.01999	5.7
323.05634	1.0
324.02289	0.5
324.06277	0.7
325.07153	6.8
326.07239	0.5
335.02017	6.0
336.02441	0.7
347.01819	1.6
348.99783	1.6
363.01495	1.4
364.02191	4.4
365.03018	40.1
366.03329	4.9
391.00955	33.3
392.01370	4.7
409.02121	1.0
431.07678	1.0
514.01306	0.6
565.07904	1.5
582.29718	1.6
583.08850	100.0
584.09216	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01382	0.3
61.98831	100.0
62.98537	0.2
66.90938	0.2
68.92767	0.2
78.23820	0.2
83.01381	0.2
99.04552	0.4
101.02482	0.2
108.02208	0.6
110.00127	0.3
111.00913	0.5
123.00883	1.1
123.04564	0.8
124.01677	14.4
125.02478	0.6
137.99599	0.2
139.00400	5.1
139.04030	15.8
153.01947	2.1
175.04041	0.6
193.05029	0.2
199.04056	1.1
217.04973	0.2
229.70551	0.3
243.02972	5.2
244.03383	0.3
252.18948	0.2
261.04019	6.1
261.06671	0.4
262.04736	2.5
277.07166	16.6
303.05322	0.6
357.06226	0.3
417.08353	0.4
421.11505	0.3
435.09409	0.3
439.12469	8.6
459.09201	0.3
477.10437	2.6
478.11038	0.4
481.13568	3.2
519.11353	3.2
519.18170	0.2
520.12054	0.4
521.16650	0.4
583.16779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60849	0.2
59.01385	0.3
61.98832	100.0
70.05109	0.6
70.05505	0.4
79.30106	0.2
84.31138	0.2
94.39097	0.2
98.20583	0.3
116.92876	0.4
125.04949	0.2
150.03319	0.2
155.05086	0.2
175.04054	0.6
189.67484	0.2
199.03979	1.3
217.05188	0.3
227.03532	0.2
243.02989	4.4
244.03404	0.3
259.02753	0.3
261.04019	4.6
261.06671	0.3
262.04449	0.2
303.05191	0.5
375.07397	0.4
417.08240	0.7
477.10428	1.7
519.11365	4.1
519.18567	0.3
520.12146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.62216	0.7
69.62634	1.2
96.67274	0.2
148.71492	0.2
150.08423	0.2
151.00403	0.2
157.02936	0.2
175.04100	0.4
199.04050	0.7
235.34695	0.2
243.02982	3.2
244.03247	0.3
259.02405	0.2
261.04050	4.0
262.04257	0.6
303.05289	0.6
346.38208	0.2
417.08371	0.6
477.10602	1.6
519.11383	2.6
520.12311	0.6
596.77155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11234	0.8
55.01879	1.6
55.28791	0.8
57.03436	0.9
59.01378	6.1
61.64529	0.9
78.27361	0.8
79.01878	1.9
79.05523	2.4
83.41327	0.7
85.02970	2.3
85.06586	3.4
87.04515	3.3
95.05016	2.3
100.27439	0.9
105.78507	0.8
107.05004	1.6
111.04528	25.8
111.08170	1.4
113.06072	1.3
115.04008	0.9
119.08680	1.4
121.06617	1.9
123.04512	1.9
123.08173	16.6
131.90479	0.8
133.06593	1.6
137.02444	2.1
137.06023	1.0
137.15698	0.7
138.03192	1.1
139.04007	2.5
139.07651	2.0
145.06618	1.0
149.06059	0.8
150.03178	0.8
151.04016	4.5
155.07112	1.1
158.90459	0.9
159.08138	1.7
161.09702	3.5
163.04012	1.3
163.07654	2.7
165.02112	0.9
165.05696	2.0
165.09163	1.0
166.02736	7.1
167.03520	4.2
167.07138	4.0
173.06100	0.9
175.07602	1.1
177.01849	1.1
177.05608	1.8
177.09242	1.1
178.06223	0.9
179.03502	3.0
179.07138	3.3
180.04263	2.1
180.07852	0.8
181.05026	3.3
183.06639	20.1
184.06909	1.7
187.07700	1.1
189.05565	1.7
189.09113	1.1
192.07928	1.1
193.05051	2.6
193.08748	4.1
194.05840	1.2
195.06709	6.0
198.05531	0.9
201.09395	0.9
201.12892	3.8
202.13202	0.9
203.07050	1.3
205.08727	6.5
207.06602	3.9
208.05576	1.4
208.07431	22.5
209.08044	4.0
214.04842	3.4
215.07065	1.2
219.06732	4.3
220.07312	2.5
221.08191	33.0
222.08858	7.9
223.06139	6.3
223.09286	1.5
224.06767	3.0
225.12871	1.2
229.08830	1.4
229.12358	4.3
230.09428	1.6
231.06607	1.9
231.10350	1.5
231.13921	7.1
233.06030	1.4
233.08197	21.1
233.11697	1.1
234.08672	3.1
235.09760	1.8
240.68448	0.7
243.13748	1.2
244.11089	1.1
245.11826	7.1
246.08922	1.7
246.12411	1.6
247.09674	4.2
247.13312	2.2
248.10410	1.2
255.10197	1.0
257.11819	2.7
259.09650	2.5
260.81567	1.2
261.11276	2.1
273.11362	2.5
274.12091	3.4
275.12875	98.2
276.13287	8.9
287.12888	3.1
289.14420	2.6
290.15207	14.7
291.15482	1.7
295.16953	1.6
301.14441	0.9
305.17596	1.7
313.14435	2.3
313.18109	8.4
314.18445	1.7
315.19742	1.3
317.17572	7.4
327.16028	1.8
329.17593	3.2
343.19174	19.0
344.19876	20.1
345.20746	5.0
355.19269	1.0
357.17059	63.8
358.17520	8.7
359.18671	2.0
360.19376	16.0
361.19858	2.2
373.20175	1.8
374.20996	8.5
375.21246	1.5
382.25110	1.1
383.22125	1.2
399.25455	2.8
400.26099	1.4
401.23340	13.9
402.23761	2.6
411.21436	3.8
417.26474	4.4
425.23224	3.8
426.23984	2.6
427.24805	8.0
428.25055	1.2
435.29196	1.2
444.25153	11.6
445.25235	1.1
465.33041	1.4
469.33151	5.6
491.31949	0.9
493.29697	1.7
495.30975	2.4
519.38385	1.2
521.36060	2.2
535.37579	3.0
537.39612	3.0
539.37354	2.7
563.37421	18.6
564.37970	4.5
581.38483	100.0
582.38745	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33255	1.0
57.03450	1.0
59.01377	5.5
59.51055	0.7
62.02945	0.8
62.65925	0.7
68.99809	0.9
69.03444	0.9
70.88844	0.8
71.73156	0.9
71.73553	1.3
73.90473	0.9
79.01917	1.1
79.05538	1.5
79.80693	0.7
83.51817	0.7
85.02949	3.1
85.06588	3.9
87.04510	2.9
95.05009	2.4
107.05024	1.8
109.06592	1.1
111.04529	25.0
111.08167	1.1
113.02403	1.1
113.06110	2.0
119.08691	1.2
121.06625	1.1
123.08176	15.7
124.01634	1.0
128.49753	0.9
133.06613	1.8
137.06108	0.9
138.03232	1.0
139.04001	1.7
139.07707	1.8
141.09267	0.9
151.04031	4.4
155.07127	2.7
159.08174	1.6
161.09709	2.6
163.04053	1.2
163.07616	2.4
165.01936	1.7
165.05557	1.3
166.02756	4.1
166.06302	1.4
167.03467	2.7
167.07126	4.5
169.44679	0.9
175.11168	0.9
177.05556	1.3
178.06305	1.5
179.03459	1.4
179.07106	1.8
180.04263	2.2
181.05124	6.3
183.06638	25.9
184.06921	1.2
187.07654	1.9
189.05539	1.1
189.09198	1.8
191.03699	0.9
191.07135	1.0
193.05043	3.2
193.08698	1.5
194.05777	1.4
195.06694	1.3
198.05301	1.0
201.12845	3.4
203.06998	1.7
205.04965	1.3
205.08650	6.4
206.09344	1.0
207.06569	3.6
208.05580	1.4
208.07420	23.3
209.08128	4.2
214.04858	6.6
214.09914	0.9
215.07079	1.0
219.06592	3.6
220.07402	1.5
221.08192	28.1
222.08925	7.8
223.09309	1.2
224.06906	0.9
229.08812	1.0
229.12404	4.2
231.06598	3.1
231.10265	1.4
231.13811	8.3
232.14102	0.9
233.08188	19.8
234.08818	2.2
235.09781	2.4
237.07672	1.1
243.13936	2.0
245.08113	0.9
245.11803	6.6
246.08897	3.0
247.09834	4.8
247.13338	1.9
248.10463	1.4
257.11804	2.3
257.15445	1.1
259.09695	3.5
261.11270	1.8
262.11783	1.1
273.11325	2.3
274.11963	3.0
275.12875	82.6
276.13248	9.6
287.12906	2.9
289.14423	1.4
290.15222	6.3
291.12308	1.0
291.15454	1.2
295.16806	1.0
313.14645	1.7
313.18063	7.8
314.18390	1.4
315.19373	1.4
317.17618	9.5
327.15964	1.6
329.17545	2.7
341.17490	1.8
343.19177	17.1
344.19885	22.0
345.20441	3.9
357.17072	63.0
358.17441	7.9
359.18640	1.8
360.19330	6.6
361.19952	1.8
374.20932	6.7
383.22296	1.9
388.72739	0.9
401.23370	20.3
402.23599	3.1
407.33240	2.1
411.21771	3.7
419.70163	1.1
425.23166	4.7
426.23923	3.7
427.25070	9.2
428.25299	1.8
444.25226	7.7
445.25098	1.2
459.57492	0.9
469.33194	3.5
470.33228	1.5
495.31082	3.4
519.38416	1.3
521.36462	2.0
535.37640	3.3
537.39276	2.9
539.37250	4.0
563.37421	20.1
564.37830	3.6
581.38477	100.0
582.38800	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	581.3852
Annotation	Camaryolic acid
Peak:m/z	Relative Intensity
56.58052	0.3
57.03467	0.7
58.32471	0.3
65.32494	0.3
70.59264	1.4
71.05013	0.3
79.01935	0.4
84.59187	0.3
85.06587	0.9
97.06575	0.5
98.20426	0.5
98.64190	0.4
111.04539	3.6
111.08167	1.0
121.49850	0.3
123.04552	1.0
123.08167	0.4
126.18830	0.4
151.04045	5.3
152.04700	0.3
165.05597	0.7
166.02696	0.6
177.01953	0.9
177.09172	0.6
179.03487	1.0
180.04303	2.6
193.05128	0.4
193.08723	2.0
203.07161	2.4
207.06604	5.0
208.07428	2.4
209.08127	0.8
221.08205	63.3
222.08896	18.3
223.09305	1.2
233.08211	3.0
234.08740	0.4
235.09764	3.7
247.09758	0.5
247.17059	0.4
275.12793	0.8
289.14526	0.5
317.13785	0.5
359.18594	1.7
360.19272	1.3
387.29224	0.9
467.46423	0.5
537.39270	1.4
538.39929	0.6
581.38544	100.0
582.38879	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07064	0.6
61.98825	1.3
66.76433	0.6
69.59149	5.0
79.05534	1.1
85.06617	0.7
85.58798	0.6
87.04514	1.1
88.88428	0.5
107.05070	0.7
109.06754	0.6
111.04532	9.4
123.08167	3.0
151.02220	0.9
151.04080	1.5
159.08141	1.1
161.09727	2.8
161.37914	0.5
163.04048	1.1
163.07654	1.3
166.02724	2.9
167.07100	0.7
187.07689	0.8
203.07115	0.9
205.08682	5.1
207.06628	2.4
208.07416	28.8
209.07845	2.3
215.07175	0.9
219.06566	1.9
221.08199	21.2
222.08832	3.5
229.12273	4.3
231.06674	1.1
231.13937	6.4
233.08171	20.0
234.08516	2.0
235.09731	2.4
246.09001	3.6
247.09457	1.2
247.13312	1.1
249.07684	0.7
257.11853	2.4
257.64185	0.6
258.96805	0.7
259.09656	1.2
261.11243	2.0
275.12872	100.0
276.13196	8.7
277.10715	0.6
289.14368	0.8
299.12894	2.2
301.14310	1.1
317.14099	0.8
327.15704	0.6
343.19171	3.5
344.19943	26.4
345.20255	3.0
359.18640	1.0
361.20462	0.9
376.19043	1.6
377.19629	1.5
437.26923	4.0
493.33197	1.3
495.31119	0.9
521.32867	3.6
522.33124	0.7
549.35632	1.6
563.37341	1.8
581.38501	59.3
582.38861	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	581.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02281	0.3
57.03432	0.5
67.59698	0.3
69.94028	1.6
69.94443	0.7
79.01914	0.6
85.06591	1.0
97.06606	0.8
109.50717	0.4
111.04543	3.8
111.08146	1.0
123.04513	1.1
132.16129	0.3
151.04005	3.9
152.04764	0.4
165.05516	0.7
165.25333	0.4
166.02748	0.5
177.01996	0.4
177.09254	0.5
179.03494	1.0
180.04231	2.1
193.05006	0.4
193.08665	0.9
193.12277	0.4
203.07127	1.6
207.06625	5.1
208.07370	2.4
209.08171	0.6
221.08191	54.2
222.08917	14.7
223.09360	0.7
233.08171	2.8
235.09741	3.2
247.09740	0.9
275.12845	0.6
289.14517	0.5
359.18732	1.2
360.19275	1.3
360.23535	0.4
537.39630	1.1
581.38489	100.0
582.38824	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3849
Annotation	Camaryolic acid
Peak:m/z	Relative Intensity
61.63433	0.7
61.98824	1.1
65.69864	0.8
69.43011	0.7
69.77342	0.9
70.53193	0.9
71.72631	1.9
80.96509	4.8
94.98117	1.0
111.04534	2.7
123.04527	1.0
128.95767	0.9
151.04031	8.9
151.38635	0.9
164.14670	0.9
179.03551	0.8
180.04216	3.8
193.08658	2.8
203.07185	4.0
207.06607	0.9
208.07332	4.0
221.08197	100.0
222.08917	29.8
223.09299	1.9
225.00819	1.0
233.08179	3.5
235.09816	2.8
247.09796	1.1
261.11407	2.5
289.14450	1.0
301.23792	0.9
360.19354	2.5
581.30225	7.5
581.38495	94.3
582.30518	1.9
582.38831	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
57.03443	8.4
59.01387	11.8
61.98831	38.3
64.57455	1.1
69.03472	1.5
71.01383	7.9
71.72517	1.6
72.99312	1.1
73.02953	2.4
75.00894	1.7
78.95895	1.2
85.02972	4.7
87.00889	1.9
87.04539	1.3
88.98818	3.4
89.02458	3.7
93.03481	3.8
95.01438	1.8
97.02976	2.4
99.00899	3.8
99.04518	2.3
101.02480	7.8
109.02969	2.9
111.00890	2.0
111.04536	3.8
111.08137	1.1
113.02436	2.5
116.92881	3.7
121.02967	1.1
123.04597	1.5
125.02467	4.5
134.03690	1.2
135.04579	1.8
137.02469	2.7
138.03371	1.2
139.00381	1.4
140.01181	1.6
141.01939	3.2
149.04626	1.2
149.06038	1.6
153.05606	1.3
161.04561	1.7
165.05562	8.9
165.09352	1.2
166.99870	2.1
167.03551	1.1
167.07158	1.7
168.00665	9.1
173.04619	1.6
177.01869	1.2
179.03517	1.6
181.05090	4.0
191.03403	1.5
191.05661	4.4
193.05058	8.6
209.04588	3.7
209.08244	1.4
209.11876	6.1
210.05345	91.6
210.12140	1.5
211.06117	100.0
212.06537	6.1
215.03569	1.1
221.08182	1.3
223.06149	3.2
253.07138	1.4
253.90674	1.2
258.01718	6.6
259.01990	6.8
260.02661	1.1
265.10950	1.6
273.03986	6.9
274.04401	7.0
320.27408	1.2
355.10492	3.0
373.11398	78.0
374.11719	7.9
415.12476	25.0
415.17978	1.5
416.12775	1.7
436.09601	1.8
455.15656	4.2
465.08539	1.2
487.10229	2.8
517.15594	83.9
518.15948	14.0
563.21539	1.3
579.30872	2.1
580.20557	1.3
581.14264	2.6
581.30835	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	581.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21182	0.1
53.68834	0.1
59.01388	0.3
61.98832	100.0
62.98523	0.3
71.71898	0.2
72.17532	0.1
75.19320	0.1
78.95922	0.4
82.96113	0.3
88.98812	0.3
91.39037	0.1
107.26428	0.1
108.84745	0.1
137.43320	0.1
145.03014	0.3
152.99611	0.3
170.28169	0.1
179.71233	0.1
221.29431	0.1
236.65375	0.1
267.33990	0.1
279.23254	2.3
280.23679	1.2
281.24002	0.7
282.24332	0.3
475.18030	0.2
496.24792	0.2
504.31039	1.0
505.31616	0.3
506.31683	0.2
507.31671	0.4
532.16010	0.2
581.27356	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	581.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00650	0.1
59.01432	0.1
60.99320	0.7
61.98833	100.0
62.98536	0.2
70.00681	0.7
78.95933	0.4
88.98816	3.3
114.84760	0.1
116.92915	0.3
117.92864	0.2
118.92699	0.2
119.05125	0.1
145.02963	0.3
152.99617	0.3
279.23288	1.1
280.23724	0.4
312.82068	0.1
437.16745	0.1
483.41718	0.2
504.30884	0.9
505.31509	0.2
507.32007	0.2
529.57526	0.1
581.32141	0.1
582.31726	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71205	1.0
83.56750	1.1
110.47427	1.1
111.04521	3.5
115.45605	1.0
125.06104	2.7
135.76794	1.3
137.09731	1.3
151.04021	7.2
163.07668	1.3
165.01924	1.1
166.02753	5.6
179.03488	1.9
180.04311	2.5
203.07185	2.2
205.04910	1.0
205.08653	2.3
207.06691	3.8
208.07394	2.6
217.05019	1.5
221.08197	52.7
222.08987	21.5
223.09508	1.9
233.08257	5.4
235.09775	13.7
236.10265	1.5
245.15416	2.5
247.09677	7.1
259.09717	1.6
260.10526	1.6
261.11484	1.3
273.11343	8.3
289.14456	30.1
290.14789	3.7
313.14740	1.8
314.48077	1.2
315.15970	2.6
324.21414	1.2
343.87717	1.0
359.18539	4.6
360.19412	1.8
371.22568	1.7
389.44299	1.3
414.27966	1.4
425.26862	2.2
427.24893	2.4
441.26776	5.3
442.27267	6.1
579.39063	100.0
580.38660	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54198	1.0
57.03444	2.2
64.65725	0.9
65.02545	1.0
69.43492	10.3
85.06575	1.7
87.04507	0.9
90.12198	1.0
95.05059	1.6
97.02966	1.2
98.19785	2.0
101.06111	5.8
107.05016	1.1
109.02991	1.5
111.04546	3.2
122.03796	1.2
125.06103	6.3
135.08234	1.1
137.09702	2.2
138.03250	1.2
150.03197	1.4
151.04021	4.4
161.09740	1.8
163.04044	2.3
165.05498	0.9
166.02750	4.3
177.05544	2.7
179.03455	1.2
179.10736	1.6
180.04115	1.5
195.06631	2.1
205.05031	1.6
205.08748	2.7
207.06757	1.6
217.08710	3.9
219.06668	2.9
221.08162	7.4
222.08971	8.9
223.09813	4.5
224.06993	1.1
233.08215	3.4
235.09749	11.6
236.10405	1.2
245.15518	2.4
247.09773	5.6
259.09738	1.8
261.11298	11.2
275.13022	5.0
287.13062	1.7
287.16479	4.7
289.14426	19.0
290.14896	2.8
301.14584	1.3
303.16037	3.8
310.14102	1.0
317.17532	3.3
329.17432	1.6
349.19522	1.2
357.20685	4.5
359.18530	1.4
362.17279	1.1
371.22290	3.7
373.20181	6.6
381.24133	2.8
385.24109	1.1
399.21448	1.5
399.25909	1.3
425.27017	5.2
426.27505	1.5
427.24893	2.2
441.26538	4.1
442.27203	1.3
477.33688	1.3
495.34735	9.4
496.35321	1.9
535.38647	1.0
561.35992	3.5
579.40771	100.0
580.40289	27.3
581.11621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1724
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
52.17123	0.4
56.32792	0.4
59.01380	1.4
61.98834	0.9
63.02393	2.4
65.00324	12.7
66.67079	0.4
67.21914	0.4
68.99806	0.6
69.83755	1.0
69.84176	1.7
70.55559	0.4
71.01376	1.7
83.01389	7.5
83.25380	0.4
83.85271	0.4
85.02968	0.5
89.02451	0.9
93.03462	5.9
97.02979	0.5
98.19882	0.5
101.02452	1.0
107.01403	23.6
108.02228	1.0
109.02984	0.7
117.03474	0.9
119.05043	43.0
120.05399	2.1
121.02961	0.7
123.00837	0.4
125.02471	5.4
136.01634	0.7
137.02464	1.5
143.05046	1.0
145.02983	4.2
149.02449	0.9
151.00389	100.0
152.00711	4.1
161.06071	1.6
164.01175	2.5
165.01933	4.3
166.02745	5.7
169.01416	2.6
175.00365	2.0
177.01932	7.8
181.05101	6.8
185.06058	1.8
187.04019	3.3
191.05598	0.5
193.01364	2.1
196.00148	1.3
203.07109	0.7
203.98050	0.4
205.01443	1.3
227.07115	2.9
228.07513	0.7
229.05103	1.1
235.02473	2.0
258.01541	0.5
269.04733	0.8
270.05408	0.4
271.06107	62.8
272.06421	5.9
273.03897	0.8
276.01764	0.4
295.06329	0.4
309.07623	0.6
313.07050	2.3
314.07474	0.5
339.07239	0.9
373.09192	1.2
387.10782	1.5
402.13062	0.5
417.10095	0.6
417.15604	9.1
418.15985	1.7
459.11517	16.7
460.11920	1.7
466.08972	0.5
579.17249	93.7
580.17542	18.2
580.25171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98832	1.4
63.41537	0.6
63.96231	1.4
67.38999	0.6
71.01382	5.0
71.72912	1.2
73.02942	1.9
75.39867	0.9
77.59253	0.6
78.95927	0.9
78.98604	5.3
79.95734	8.2
80.96523	59.6
85.02975	3.2
87.00877	2.9
94.98099	13.7
96.96018	1.3
97.02940	1.7
97.58177	0.6
101.02457	2.2
106.98093	2.2
114.49998	0.6
122.97596	4.2
125.02454	3.5
127.04114	0.9
134.97588	4.5
136.99141	0.9
148.99161	4.8
152.98645	5.8
164.98637	10.4
182.99667	1.9
206.99683	2.7
222.54265	0.7
225.00757	17.4
243.01732	1.4
279.23337	2.6
281.24942	2.9
299.04407	3.1
307.34894	0.6
506.32721	1.4
579.28479	100.0
580.28851	16.6
600.82648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39508	0.1
52.85684	0.2
54.33866	0.2
54.58294	0.2
57.03456	2.8
59.01377	2.1
60.31480	0.2
60.99313	0.3
61.98835	2.8
62.55368	0.2
67.93772	0.1
69.82532	1.0
71.01397	1.3
73.02954	0.6
81.03452	0.2
83.05006	0.2
85.02980	0.3
87.00900	0.3
88.98832	0.8
89.02461	0.5
90.03243	0.2
93.03465	0.2
96.96957	0.1
98.19958	0.3
99.00925	0.2
99.04541	1.4
99.92602	0.3
101.02444	1.2
109.02975	0.2
113.02428	0.4
116.92887	2.6
117.01947	0.3
125.02473	1.0
134.80128	0.2
137.02446	0.2
142.73235	0.2
145.02991	0.2
151.04118	0.2
151.07704	0.5
158.03745	0.2
161.04510	1.0
173.02458	0.4
173.06065	0.2
177.01987	0.4
185.02455	0.3
189.01952	0.5
191.03604	0.2
191.05620	0.7
197.05701	0.2
201.01936	1.8
202.02740	0.4
209.11818	1.7
210.05392	1.2
211.06108	1.6
214.02699	0.8
217.01462	0.3
221.08167	0.3
229.01431	1.2
230.02205	5.5
231.02617	0.6
253.09413	0.3
257.00912	1.9
258.01682	79.7
259.02051	6.3
271.02563	0.3
272.03333	2.3
273.04034	100.0
274.04379	8.5
274.07431	0.3
275.08902	0.3
305.08801	0.7
315.05008	0.2
341.06821	0.8
373.11542	1.1
387.20316	0.3
399.14679	0.2
415.12585	0.6
417.08060	0.3
435.09323	15.9
436.09641	1.9
447.25949	0.2
477.10486	4.4
478.10684	0.7
517.15076	1.8
578.32471	0.2
579.13141	1.6
579.21179	0.4
579.29999	0.4
580.13855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
60.01699	0.3
63.96233	0.3
71.01384	1.0
73.02937	0.3
77.74982	0.3
78.95911	5.2
78.98601	0.6
79.95741	1.5
80.96523	8.7
81.96455	0.5
82.96104	0.9
88.06844	0.3
90.87927	0.3
90.99934	0.3
94.98102	1.9
98.19866	0.9
101.02455	0.3
106.98111	0.5
116.92873	0.3
122.97599	0.6
125.02436	0.6
134.97578	0.5
148.99164	0.7
149.90613	0.3
152.98563	0.6
152.99625	1.3
164.98611	1.4
165.98950	0.3
168.04356	1.6
207.96469	0.3
224.06985	0.8
225.00757	2.1
226.01086	0.6
242.07979	2.8
246.04909	0.3
279.23288	100.0
280.23642	10.8
294.69626	0.3
299.04239	0.3
504.30939	37.5
505.31299	6.3
578.27246	15.6
579.26965	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	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29663	0.6
53.28884	0.6
58.21923	0.7
59.01380	20.7
60.99293	0.7
61.98831	13.9
69.88779	2.6
69.89207	1.9
71.01391	1.2
78.95909	20.6
79.95724	0.6
80.96526	7.1
86.16646	0.7
87.00872	0.9
88.98828	2.4
94.98100	0.8
99.91736	0.6
99.92581	4.0
111.04551	0.9
114.93443	1.6
116.92874	38.7
124.30872	0.7
134.59026	0.8
152.99605	2.9
164.98616	1.7
168.04288	2.8
195.45271	0.7
209.11861	0.8
212.46214	0.8
224.06927	8.7
225.00748	0.9
242.07878	1.3
249.89697	0.8
279.23291	100.0
280.23672	9.8
285.69995	0.8
504.30933	75.0
505.31268	12.1
519.15759	0.8
519.27197	0.8
578.27289	11.9
579.26892	2.6
579.35272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	9.5
59.01376	3.2
61.98825	4.1
68.77544	0.4
71.01386	0.8
71.72134	0.6
74.44042	0.4
85.03004	0.4
88.98807	1.6
89.02481	0.7
93.15582	0.4
99.04531	6.4
101.02469	2.1
125.02455	1.1
151.00397	0.7
161.04585	5.4
173.02435	0.5
177.02000	0.4
180.30809	0.4
184.47931	0.4
191.05666	1.0
201.01939	12.5
202.02356	1.1
214.02620	0.6
229.01447	7.5
230.02138	4.9
243.02925	0.9
257.00912	16.4
258.01669	82.6
259.02039	7.6
271.02371	2.4
272.00266	0.8
272.03232	21.7
273.04022	100.0
274.04407	8.0
300.02716	0.7
341.06720	0.8
391.91531	0.4
395.97968	0.3
417.08176	1.2
435.09329	52.8
436.09714	6.1
463.08749	0.6
477.10394	19.5
478.10684	2.8
517.13556	2.8
518.13361	0.6
543.15167	0.4
579.13550	22.9
579.29932	1.9
580.13989	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	577.374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.8
59.01371	2.0
69.03470	1.5
71.01402	1.8
71.05036	3.7
73.88779	1.5
79.15249	1.5
82.81863	1.7
83.05028	2.3
85.02965	27.9
95.01385	1.5
95.05080	1.8
97.02947	1.7
99.08172	11.3
101.06087	3.7
107.39807	1.8
111.04539	2.6
123.00936	2.0
125.06114	24.4
125.09740	6.2
127.07713	3.8
138.03270	1.5
151.03995	2.6
165.02000	2.1
166.02722	2.8
169.08730	19.3
169.15976	7.8
173.09732	1.7
175.07704	2.0
177.09230	5.3
191.10899	2.1
195.06697	5.1
197.08232	4.7
201.13004	2.0
203.88380	1.5
205.08717	3.9
206.09517	2.3
207.06554	1.7
207.10379	1.8
208.07390	4.5
212.06883	2.3
217.08798	1.8
220.11081	3.4
221.08295	2.9
222.09076	3.1
223.09720	1.7
233.08240	1.9
235.09750	13.1
237.14870	4.6
243.13928	1.9
247.09760	3.0
248.10277	2.4
251.09338	2.0
257.15442	2.4
261.14902	4.2
263.12912	5.7
274.15820	3.4
285.18607	2.1
289.14352	9.6
301.21674	2.2
305.13953	3.5
327.19675	10.1
328.20084	1.9
345.20728	45.2
346.21036	6.2
347.18665	100.0
348.18979	10.2
361.20337	2.6
363.21786	6.9
373.20151	2.8
389.19675	41.3
389.24359	3.1
390.20435	10.1
391.21271	16.5
392.21802	2.8
523.18018	1.9
577.39063	49.9
578.39819	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31329	0.3
53.56623	0.3
53.56963	0.3
57.03445	0.6
59.01381	4.4
61.98838	1.5
62.41853	0.3
62.71164	0.3
63.96243	1.3
69.03467	0.8
69.59937	2.5
71.01388	7.2
73.02948	1.6
75.00869	0.3
75.88173	0.3
78.95914	3.5
78.98598	6.4
79.95739	10.6
80.96523	69.0
81.03454	1.1
81.96468	0.3
83.01401	0.4
84.48972	0.3
85.02970	3.2
87.00887	2.5
94.98096	16.7
95.01431	0.4
96.96022	0.6
97.02969	1.8
99.00906	0.4
99.04560	0.3
101.02444	2.1
106.97516	0.3
106.98112	3.1
113.02449	0.4
122.97600	3.1
125.02457	3.0
127.04043	0.8
134.97601	4.6
135.03035	0.7
136.99155	1.3
143.03448	0.3
148.99165	6.6
152.98642	5.9
152.99716	0.6
164.98642	11.8
168.04362	0.6
179.00174	0.4
190.34200	0.3
206.99780	1.9
209.11874	0.6
224.06935	1.2
225.00746	16.0
226.01126	0.7
242.08185	0.3
277.21735	1.8
278.22110	0.4
279.23273	16.9
299.04401	3.3
504.30923	12.2
577.26886	100.0
578.27234	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71060	0.3
57.03442	0.3
58.14461	0.3
59.01381	0.8
61.98784	0.2
63.96231	1.3
64.97047	0.3
69.03462	0.7
69.60397	0.6
69.60801	2.1
71.01389	7.2
73.02962	1.9
78.98602	5.7
79.95742	9.5
80.96526	64.6
81.03472	0.7
81.96465	0.3
85.02962	2.8
87.00903	2.6
90.36703	0.3
91.04054	0.3
94.98100	15.5
95.01373	0.5
96.96033	0.8
97.02944	1.8
98.13434	0.3
98.20621	0.6
99.00897	0.5
99.04532	0.4
101.02459	2.6
105.41867	0.2
106.98089	3.0
113.02481	0.5
114.85278	0.3
120.09212	0.2
121.09559	0.2
122.97607	5.3
125.02464	3.1
126.02799	0.3
126.88292	0.2
127.04053	0.6
134.97610	4.3
136.99158	1.2
148.99159	6.5
149.99516	0.3
151.97847	0.3
152.98654	8.1
152.99879	0.5
164.98650	11.3
165.99004	0.3
167.00237	0.4
182.99722	2.8
188.98621	0.3
206.99695	2.9
225.00758	16.9
226.01118	0.6
243.01747	1.8
277.21716	2.3
279.23276	0.7
299.04449	3.1
482.34940	0.3
495.23685	0.4
577.26923	100.0
578.27283	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	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.0
69.73628	5.3
75.75159	0.7
81.03448	3.0
83.01388	5.3
91.96931	0.8
93.03462	1.4
95.01347	1.1
95.05062	2.8
97.02966	4.5
100.04942	0.7
101.08469	0.8
104.33071	0.9
107.05042	1.7
109.02975	22.3
117.03448	0.7
119.95972	0.8
121.02951	4.4
122.03774	1.6
123.04532	14.4
125.02467	100.0
126.02795	2.5
131.05067	0.7
133.02986	4.3
135.04561	2.6
137.02464	18.9
138.02910	1.3
139.04013	4.5
143.05023	0.9
145.02959	1.6
146.03773	1.5
147.04507	0.9
149.02461	6.1
151.04031	14.3
157.06619	0.8
159.04524	3.5
161.01114	1.6
161.02466	27.5
161.06155	4.3
162.03087	2.6
163.00401	1.6
163.04024	3.5
164.01158	3.7
165.01936	4.8
167.03539	1.4
173.06120	1.2
175.04031	10.8
175.07707	1.0
176.01167	1.4
177.01944	6.8
179.03491	4.2
185.06076	1.4
187.04002	6.1
188.04735	3.2
189.01938	0.9
189.05566	0.9
189.43129	0.8
199.04012	1.6
201.05617	1.4
202.06387	1.5
203.03505	1.7
203.07143	11.6
205.01425	2.1
205.05072	7.3
206.05444	0.8
211.03944	1.0
212.04694	1.1
213.05547	0.8
214.02798	1.0
215.03532	2.2
217.04997	1.0
221.08189	2.3
225.05533	1.1
227.03494	2.4
227.07033	2.1
228.04318	2.2
229.05048	3.4
231.03011	1.2
243.00479	0.9
243.02966	3.1
243.06560	1.0
245.04510	5.8
245.08197	11.3
246.08443	0.8
253.05031	1.8
255.02960	8.0
256.03830	6.0
257.04300	2.4
258.82254	0.8
269.04736	2.0
271.06241	0.9
273.04089	3.8
281.04510	3.4
283.02457	1.8
285.03995	2.3
287.05603	9.7
289.07184	63.9
290.07526	5.8
297.04291	1.0
299.05530	5.3
329.06595	1.7
339.08701	4.0
381.09689	2.9
404.75629	0.9
407.07739	62.5
408.08057	7.9
425.08786	25.1
426.09122	4.5
451.10324	13.2
452.10468	1.8
559.12415	1.5
577.13348	7.1
578.13812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64483	0.6
57.03449	13.8
62.53780	0.6
68.26454	0.6
69.03479	0.7
71.17325	0.7
71.17657	1.1
81.03470	1.5
83.01389	3.3
93.03472	1.3
95.01379	0.6
95.05047	2.1
96.86385	0.6
97.02971	3.2
104.88681	0.5
106.05151	0.6
107.05030	0.9
109.02969	16.4
109.03679	1.1
117.03467	0.7
119.17054	0.5
121.02978	2.5
122.03752	0.6
123.04545	9.3
125.02465	100.0
126.02790	3.7
131.05141	0.7
133.02979	3.0
135.04527	2.3
137.02460	19.7
139.04030	2.1
145.02951	0.8
147.04573	0.7
149.02435	3.7
151.04027	9.1
159.04556	2.5
160.05215	0.8
161.02460	22.7
161.06049	3.6
162.03017	2.2
163.00375	1.3
163.04036	2.0
164.01134	4.0
165.01979	5.1
167.03467	1.6
173.06076	1.1
173.08633	0.6
175.04016	7.6
175.07643	1.1
177.01978	4.4
177.05627	0.7
177.21898	0.5
179.03471	4.0
185.06184	0.9
187.04018	5.7
188.04698	3.3
190.12335	0.6
197.49861	0.6
199.07721	0.8
201.05627	1.2
202.06345	1.4
203.03520	1.7
203.07141	6.8
205.01460	2.1
205.05099	6.5
211.04074	0.6
215.03493	0.7
217.05188	1.1
221.08180	1.5
227.03482	1.5
227.07140	1.4
229.05070	2.5
243.02983	1.5
243.06674	1.2
245.04552	2.8
245.08185	9.4
246.08688	0.8
255.02885	3.5
256.03650	3.2
257.04535	1.8
269.04562	1.7
271.06085	1.0
273.04086	4.4
281.04608	3.0
283.02670	0.8
285.04053	1.7
287.05582	6.8
288.05875	0.8
289.07181	53.4
290.07571	4.0
299.05594	6.3
329.06674	0.8
339.08908	1.8
381.09775	1.6
407.07712	39.3
408.08054	4.5
425.08746	18.6
426.09247	2.5
451.10266	8.9
452.10931	1.6
559.12616	1.1
577.13623	6.7
578.14197	1.5
602.38690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	13.4
58.03774	0.5
59.01379	12.6
61.98817	0.9
69.03455	0.9
69.89442	3.3
71.01387	12.2
72.99323	0.9
73.02951	2.9
81.03459	1.9
83.01388	5.0
83.05048	0.5
85.02953	1.7
87.00854	0.9
89.02456	15.6
89.56867	0.6
93.03468	2.0
95.01438	0.7
95.05046	2.5
96.96040	0.6
97.02972	3.3
99.00897	7.1
101.02463	7.4
107.05053	0.7
108.02154	1.0
109.02972	16.4
111.04539	0.7
113.02466	1.7
119.03522	1.3
121.02949	3.1
121.06647	0.5
122.03770	1.1
123.04539	11.6
124.04843	0.8
125.02464	100.0
126.02805	5.0
131.03542	3.4
133.02994	4.0
135.04546	2.7
137.02464	16.8
139.04031	3.5
143.03535	0.8
143.05074	0.9
146.03722	1.1
147.04532	0.7
147.08200	0.6
149.02534	4.2
149.04567	13.6
149.05872	0.8
150.03278	0.9
151.04018	10.1
152.04405	1.0
153.01982	1.2
159.04567	2.2
160.05325	0.7
161.02460	23.9
161.06059	3.5
162.03123	2.7
163.00418	1.9
163.04004	2.9
163.11279	1.1
164.01181	3.7
164.53380	0.6
165.01978	5.2
166.02493	0.6
167.03560	1.4
173.06107	1.5
175.04001	6.9
175.07631	1.0
177.01926	4.2
177.05507	1.4
178.02400	0.7
179.03540	4.0
179.10741	0.9
183.02962	1.8
185.06079	1.2
186.50121	0.6
187.04028	5.0
187.07658	0.8
188.04810	3.0
189.05501	1.0
191.03679	1.4
191.05658	5.6
201.05690	0.9
202.06323	1.1
203.03474	0.8
203.07155	7.0
204.07484	0.9
205.01450	2.0
205.05081	6.5
205.12369	4.0
206.05539	0.7
211.04042	0.8
213.05527	0.6
217.05093	1.5
221.06450	0.9
221.08224	1.5
225.05647	0.9
227.03568	1.1
227.07191	1.7
228.04276	0.7
229.05054	1.6
230.05829	0.7
231.02979	0.9
233.06671	1.0
241.05005	0.6
243.02959	1.7
243.06654	1.0
245.04547	3.3
245.08199	10.2
246.08647	1.4
251.07651	1.2
253.04872	0.6
255.03008	4.2
255.06532	0.7
256.03696	3.7
257.04568	1.6
269.04514	0.7
271.06354	0.8
272.06607	0.7
273.03998	3.3
281.04413	2.7
283.02539	1.0
285.04028	2.1
286.04251	0.7
287.05591	7.3
288.06000	1.3
289.07172	52.5
290.07550	5.5
293.08820	2.2
299.05667	5.9
329.06552	1.3
335.97327	0.6
339.08701	1.9
341.06653	1.0
381.09998	1.5
389.06152	0.7
407.07730	34.9
408.07806	4.1
425.08777	15.4
425.14401	1.1
426.09189	2.3
439.10260	0.7
451.10284	9.6
452.10770	2.4
517.23041	8.9
518.23608	1.0
532.99969	0.6
559.12360	0.6
577.13666	9.7
578.14185	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36735	0.4
52.19233	0.4
54.30698	0.4
54.80793	0.4
55.10272	0.4
58.43507	0.4
59.01381	27.2
61.15756	0.4
61.98816	0.5
71.01400	0.7
71.71643	0.4
71.72015	0.5
78.95908	27.1
80.96521	1.5
96.96033	0.5
96.96970	0.6
109.02834	0.4
120.48630	0.4
125.02458	0.6
125.06120	0.4
133.26802	0.4
152.99608	4.9
168.04326	4.3
183.51649	0.4
224.06944	12.4
225.07060	0.5
233.22882	0.7
241.19614	0.4
242.07944	3.1
259.20557	0.9
277.21725	100.0
278.22079	10.9
405.61807	0.4
502.29379	92.7
503.29718	16.3
552.48627	0.6
577.26782	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.7
61.98822	0.6
65.90512	0.2
70.09307	1.0
78.95912	6.5
98.20579	0.2
109.35201	0.2
113.18922	0.2
125.06123	0.2
135.03017	0.4
149.35452	0.2
152.99632	1.5
168.04337	1.5
224.06903	1.4
233.05659	0.2
233.22864	0.5
242.07965	3.4
249.87215	0.2
259.20697	0.4
275.20151	0.4
277.21716	100.0
278.22061	11.8
342.97345	0.2
343.02625	0.2
459.24106	0.3
491.26392	0.3
502.29385	40.0
503.29739	7.7
533.86243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.9
58.30155	1.1
64.15822	1.1
65.00311	1.3
69.66829	8.5
69.67233	1.5
71.01395	2.4
72.99307	2.4
81.03458	1.7
83.01395	4.2
84.09060	1.1
85.50831	1.2
90.06980	1.1
92.54333	1.0
93.03451	1.9
95.01448	1.5
95.05042	1.7
96.96021	24.1
97.02952	3.6
98.95602	17.4
98.96439	3.8
99.63404	1.1
99.92599	29.6
100.92610	2.6
100.93363	1.1
106.78773	1.2
107.01458	1.3
109.02966	14.9
115.92100	19.0
116.92100	2.5
116.92870	18.5
121.02966	5.0
122.03764	1.2
123.04558	10.2
125.02466	100.0
126.02803	3.2
133.02979	2.3
137.02464	20.8
139.03981	3.2
141.93677	1.3
142.94402	2.5
145.02969	1.8
149.02510	6.0
151.00333	3.0
151.04053	10.2
159.02803	1.2
159.04518	2.1
161.01266	1.9
161.02483	22.8
161.06099	5.0
162.03119	2.5
163.00420	1.5
163.03978	2.2
164.01144	4.6
165.01898	2.8
166.02324	1.3
167.03545	1.2
170.93869	1.3
175.04013	6.5
177.01950	4.4
178.99748	1.1
179.03494	3.7
185.06125	1.3
187.04071	6.0
188.04820	2.2
189.02065	1.4
189.05618	1.7
190.09085	1.1
191.05620	4.6
193.39914	1.1
203.03561	1.8
203.07210	6.0
205.01372	1.5
205.05052	5.1
211.03978	1.8
212.01204	1.2
215.03470	2.1
215.95209	3.0
217.04967	1.5
226.02698	2.6
227.03389	2.7
227.07114	1.7
229.04895	2.0
229.96686	1.2
240.94456	1.9
242.02104	1.5
243.02957	3.2
243.06630	2.5
245.04456	3.9
245.08229	8.9
247.06096	1.5
255.03024	6.5
256.03696	3.9
257.04266	1.6
257.94312	5.7
258.95236	2.8
267.02963	1.3
270.96948	1.9
271.02426	3.2
273.03964	5.3
279.03000	1.3
280.03748	1.5
281.04666	1.4
283.02548	1.5
285.04242	1.5
287.05539	6.9
289.07178	50.3
290.07419	4.3
295.02509	3.5
296.94876	1.6
298.96390	2.1
299.02087	2.4
299.05521	4.6
300.02432	2.6
308.94971	2.2
310.96555	2.4
312.94449	3.2
323.02063	2.0
325.95233	4.6
326.96085	7.8
329.06491	1.9
336.94470	1.4
339.08661	1.8
340.93964	2.0
353.94836	5.8
354.95523	29.6
355.95734	5.4
363.96094	1.7
366.95465	1.4
367.96127	2.7
368.96835	1.4
370.94809	1.6
377.94568	1.4
378.95407	3.5
379.96216	3.6
380.97028	9.3
381.93469	1.9
381.97708	4.1
382.94998	57.2
383.95300	13.4
391.96216	2.9
392.97028	10.5
393.97678	1.9
394.95041	2.1
395.95825	26.6
396.96506	10.7
397.96683	1.6
398.94864	1.5
406.94904	4.7
407.07745	33.4
407.95569	1.5
408.08060	3.5
408.96414	5.5
409.97449	9.4
410.98184	50.4
411.98401	6.0
423.94861	1.6
424.96030	3.2
425.08871	16.3
426.09106	2.8
450.97894	3.6
451.10321	10.8
468.98734	10.4
469.99094	2.5
496.98105	3.7
497.98816	4.7
514.99115	5.6
540.97083	4.4
551.17621	1.3
577.13483	10.4
577.21326	2.1
578.14227	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	576.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98831	100.0
62.98537	0.2
69.47316	1.1
69.47727	0.3
71.01400	0.3
71.14449	0.1
78.27029	0.1
78.44675	0.1
80.96520	1.6
88.55966	0.1
89.02441	0.2
94.98125	0.4
98.19918	0.3
101.02493	0.1
119.68837	0.1
125.06081	0.2
127.07671	0.2
164.98723	0.2
206.99777	0.1
209.11494	0.1
225.00735	0.4
240.82561	0.1
254.09825	0.2
255.09871	0.2
277.21732	1.3
278.22031	1.5
279.22330	1.0
280.22751	0.5
406.59494	0.2
509.77155	0.1
577.26898	3.1
577.35962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63101	0.1
61.98830	100.0
62.98528	0.2
78.95918	0.1
80.96570	0.2
82.95426	0.1
90.17928	0.1
91.64155	0.1
128.51993	0.1
131.08508	0.1
136.85268	0.1
198.65086	0.1
279.22394	0.1
300.45187	0.1
314.66385	0.1
326.96698	0.1
385.45001	0.1
577.27252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56670	0.4
57.03180	0.6
57.03450	12.6
57.56177	0.3
59.01373	2.3
61.98832	35.3
65.52523	0.3
69.67467	1.4
69.67898	1.9
71.01367	0.7
85.02928	0.4
87.00859	0.4
99.04493	0.8
99.80276	0.4
101.02463	3.5
121.02953	0.8
125.02455	1.6
136.01736	0.8
137.02455	5.6
149.02464	11.2
150.02823	0.6
151.03955	0.5
152.99713	0.5
171.10349	0.5
191.05608	1.3
191.07181	1.0
192.07932	100.0
193.08279	7.1
197.38251	0.4
207.10271	96.7
208.10606	7.0
272.49518	0.4
341.23355	0.6
351.14401	0.8
369.15552	43.3
370.15820	6.6
407.07748	0.4
411.16602	13.4
412.17148	2.0
451.19626	2.5
506.18915	0.4
513.19836	7.1
514.19873	1.8
577.93878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.45695	0.2
59.01381	1.7
60.01709	0.2
61.98833	100.0
62.26054	0.1
62.98563	0.2
65.00382	0.1
71.01395	0.6
71.72581	0.3
73.02953	0.3
75.00880	0.1
83.01399	0.2
85.02964	0.3
87.00890	0.2
88.44260	0.1
88.98837	0.2
89.02459	0.6
90.05103	0.1
94.81757	0.1
96.96048	0.2
97.02927	0.2
99.00863	0.2
101.02483	0.4
109.02970	0.3
113.02447	0.2
116.92884	1.7
117.01974	0.2
118.62403	0.2
121.02972	1.8
122.03310	1.1
123.03422	0.3
123.04523	0.3
124.01569	0.1
125.02477	1.3
126.02721	0.2
126.90561	0.3
127.86568	0.2
131.03564	0.3
133.02995	0.2
137.02475	0.4
143.88419	0.2
143.89711	0.2
151.00418	0.5
151.04024	0.2
152.01189	0.2
161.02498	0.4
165.01935	0.2
175.04054	0.2
178.99953	0.4
191.05676	0.7
203.07278	0.3
210.71263	0.2
222.79996	0.1
233.08418	0.2
242.02327	0.3
270.01840	0.4
285.03778	0.3
287.05289	0.2
289.07349	0.5
320.04868	0.2
327.16141	0.3
353.23608	0.3
381.09872	0.4
407.07919	0.4
414.09647	0.2
414.22183	0.2
425.08890	0.3
474.23227	0.2
525.10626	0.1
532.83093	0.2
545.16333	0.2
576.28729	0.2
577.15082	1.3
577.31293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00631	0.1
56.51806	0.1
59.01387	0.2
61.98833	100.0
62.98542	0.2
66.66673	0.1
69.77827	0.5
71.01403	0.2
98.19941	0.1
101.02472	0.1
102.02139	0.1
111.04533	0.1
131.03534	0.1
153.35912	0.1
176.21193	0.1
191.75006	0.1
268.55377	0.1
338.76041	0.1
382.23456	0.1
433.88004	0.1
514.27759	0.2
575.26544	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	573.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01606	0.3
57.03449	0.6
71.04561	1.1
79.01908	0.6
85.06595	0.9
88.48124	0.4
97.06622	0.4
111.04539	4.4
111.08258	0.4
121.06616	0.6
123.04551	1.4
123.08161	1.1
141.12906	0.8
151.04012	4.7
151.07767	0.4
165.05623	1.6
166.02692	0.5
177.01964	0.6
177.09212	1.0
179.03545	0.8
180.04343	0.6
189.09299	0.8
191.10774	1.7
193.08723	1.0
193.12366	0.4
203.07162	2.3
207.06630	5.7
207.10349	0.3
208.07426	4.4
209.08151	1.8
217.08723	0.9
221.08197	53.9
222.08748	6.8
223.09293	0.4
228.55949	0.4
235.09756	20.1
235.17000	1.0
236.10204	1.5
247.17091	1.5
249.11247	0.7
263.12854	0.5
291.15985	4.7
292.16653	1.5
301.14294	1.8
305.17566	4.6
306.17764	0.5
319.15558	9.2
319.19019	0.5
320.15808	1.2
343.19244	1.1
361.20178	7.0
362.20706	2.7
363.21075	0.4
447.31198	1.0
461.32401	0.7
462.19263	0.3
504.34402	1.3
505.34854	0.4
529.42810	1.0
573.41638	100.0
574.42010	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.7
59.01381	13.5
61.98827	0.5
64.23813	0.3
69.56219	2.3
71.01380	3.0
72.54881	0.3
73.02950	0.6
80.91673	1.6
83.01387	0.5
83.42792	0.3
85.02947	0.6
87.00896	0.3
89.02467	2.3
101.02454	3.0
103.03992	0.4
111.04514	0.4
113.02444	0.9
119.03519	0.8
161.04585	0.9
217.92294	0.3
219.08397	0.4
224.53413	0.4
235.08138	1.8
253.09271	14.1
254.09608	0.6
269.02789	0.4
275.20105	0.4
277.21719	100.0
278.22061	11.1
289.99109	0.4
461.25256	0.8
501.24191	0.4
573.31293	0.6
586.10767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30012	0.1
51.55614	0.1
57.03430	0.2
58.00593	0.4
58.53216	0.1
59.01377	19.3
61.98826	0.8
69.91171	1.1
71.01386	7.2
72.99304	0.4
73.02945	0.6
77.03994	0.3
82.63428	0.1
83.01385	0.5
84.63973	0.1
85.02967	1.3
88.98856	0.2
89.02447	9.8
90.02760	0.2
93.03472	0.2
97.02972	0.2
98.00521	0.1
98.19915	0.3
99.00893	0.8
101.02449	4.2
113.02454	1.2
119.03506	0.6
121.02968	100.0
122.03306	4.4
125.02489	0.5
129.01900	0.3
131.03516	8.2
137.02458	0.3
139.04030	0.4
149.04564	7.2
150.04834	0.2
160.12430	0.2
173.04492	0.2
191.05618	4.6
221.06604	0.2
223.23991	0.2
243.02946	0.2
251.07632	0.3
411.14587	0.2
513.19965	0.4
537.29169	0.6
573.10449	0.3
573.24060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
59.47222	0.6
61.98832	21.1
63.02400	1.4
65.00332	1.4
70.92570	1.9
71.01376	4.1
73.36905	0.6
78.95877	0.8
83.01398	2.4
85.02958	1.4
85.54042	0.6
89.02480	3.0
93.03474	0.7
95.01408	1.0
101.02454	2.6
107.01408	3.9
111.04465	0.7
113.02451	1.8
125.02458	1.9
137.02448	0.7
151.00389	5.0
152.01134	0.9
164.01260	0.8
165.01970	0.9
169.01346	0.8
169.90071	0.5
191.05582	2.4
198.19664	0.7
199.04045	0.9
209.11729	0.6
211.69893	0.7
214.02679	1.0
215.03563	0.7
229.01450	3.1
230.02222	2.8
239.03496	3.8
241.01424	0.7
242.02193	10.1
243.02951	11.3
244.03584	2.8
244.68605	0.6
249.76097	0.6
255.02954	1.5
256.03821	1.5
257.00931	1.8
257.08487	0.8
258.01691	10.0
259.02264	2.2
263.07120	0.7
267.02856	0.7
270.01691	4.0
271.02469	55.1
272.03021	6.6
279.06662	1.0
281.04404	1.1
281.07986	0.8
282.01691	21.2
283.02478	82.9
284.02866	7.9
285.04028	2.6
293.04541	1.5
294.05313	0.9
295.02768	1.2
295.06180	4.4
296.03244	1.1
297.04095	3.8
297.07697	2.7
301.03671	1.2
304.02292	1.4
306.05289	2.8
307.06116	27.9
308.06619	4.7
309.04053	2.1
309.07654	21.5
309.10645	0.4
310.04788	2.0
310.08167	2.0
311.05588	3.0
313.03802	0.7
313.07181	4.0
323.05606	5.8
324.06415	5.6
325.07187	57.5
326.07935	65.9
327.08374	7.8
339.04919	0.6
341.06683	46.4
342.07077	5.6
343.08209	10.0
344.08655	1.3
358.06863	1.3
393.13318	0.9
433.07709	8.3
434.08228	2.0
445.07761	19.5
446.07855	2.8
447.09549	1.3
466.07666	1.0
469.11530	1.3
471.12894	6.0
473.10486	0.8
487.12488	18.5
488.13226	48.2
489.13776	5.9
504.12723	100.0
505.13019	17.2
505.20453	1.1
565.65118	0.6
573.19824	29.6
573.28131	1.6
574.20135	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	573.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11917	0.5
55.01890	0.9
59.01088	1.5
59.01382	26.7
61.98834	23.2
62.98936	0.5
69.03500	0.7
71.01394	23.7
72.99319	1.3
73.02950	6.2
75.85513	0.7
83.01407	3.8
85.02972	8.1
87.00867	0.8
89.02457	13.5
95.01425	1.0
99.00908	4.5
101.02463	17.0
107.01411	0.6
109.02959	1.1
113.02463	9.1
119.03522	2.7
125.02480	2.2
129.01990	0.8
131.03523	12.2
135.04538	1.1
137.02466	0.7
143.03522	1.3
149.04579	6.5
151.00420	1.4
159.02995	1.4
161.02498	1.2
161.04596	7.1
179.03542	0.8
179.05621	0.5
191.05669	3.6
199.04089	0.9
230.02252	3.1
239.03490	3.2
242.02040	0.9
243.03036	8.2
244.03731	2.7
245.68402	0.7
258.01694	4.2
259.02292	1.4
263.07104	1.0
271.02472	54.1
272.02924	5.9
281.04544	1.0
283.02478	100.0
284.02853	9.2
285.04062	2.0
287.02151	0.8
288.02887	0.8
293.04456	1.5
294.05341	2.0
295.06100	3.1
297.04163	4.0
297.07336	1.0
304.02148	1.2
307.06107	29.0
308.06595	4.7
309.04367	1.5
309.07681	28.7
310.04724	1.7
310.08066	2.4
311.05560	3.5
311.09052	0.7
313.07175	2.1
323.05621	1.7
324.06299	3.1
325.03186	1.6
325.07190	58.4
326.07944	85.5
327.08353	12.6
341.06665	21.6
342.07117	1.6
343.08240	5.6
358.06906	2.6
371.07925	0.7
381.22852	27.0
382.23077	3.1
383.22464	0.7
399.21655	0.8
411.14679	1.7
427.21265	4.8
428.22128	0.8
454.97369	0.8
455.56448	0.7
487.12106	1.2
504.12726	67.1
505.13068	11.0
513.27014	23.7
514.27417	3.7
573.19781	31.7
573.26605	1.6
574.19843	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	572.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98832	100.0
62.98531	0.2
71.01384	0.1
85.18570	0.2
88.52316	0.1
93.03492	0.2
110.50248	0.1
111.04533	0.2
113.13046	0.1
113.45464	0.1
133.02974	0.6
143.10904	0.2
167.08708	0.2
173.04610	0.3
177.01990	0.3
191.05652	0.4
198.97449	0.1
209.11928	0.5
211.13480	0.3
283.24173	0.2
293.22809	0.4
327.23193	0.2
355.22943	0.3
381.20828	0.4
382.41025	0.1
555.26245	0.2
573.27057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43283	0.2
57.03438	0.3
58.33065	0.2
59.01385	1.6
61.98839	1.1
63.02397	0.5
65.00313	0.6
69.70235	1.4
71.01376	0.7
79.95729	0.8
81.12709	0.2
83.01390	0.5
85.02946	0.4
89.02454	0.4
89.48722	0.3
94.98095	5.6
95.97604	0.3
101.02464	0.4
107.01410	1.1
109.02969	1.0
109.06578	0.3
112.98819	0.2
116.92863	0.3
123.04527	0.4
125.02434	1.0
133.03006	0.3
134.11504	0.2
135.04532	0.3
137.02455	0.4
139.00392	0.7
149.02487	0.3
150.03198	0.3
151.00357	2.1
151.04018	0.5
153.01941	0.3
153.09230	0.2
161.02435	0.3
161.06027	0.3
163.00467	0.3
165.01991	0.4
165.05545	0.5
169.01477	0.4
172.87871	0.3
173.06104	0.3
175.04092	0.3
175.07611	0.4
176.01103	0.3
177.01907	1.4
177.05614	0.2
178.99898	2.2
188.04916	0.2
191.05695	0.2
193.03600	0.7
195.06647	0.3
203.03520	1.7
204.04280	6.5
205.04787	0.5
219.06628	100.0
220.06972	7.4
225.05614	0.2
227.03583	0.3
239.03531	0.2
243.03006	0.4
255.02965	0.5
267.13629	0.2
271.02390	0.4
283.02466	1.0
284.03116	0.3
285.04056	0.7
300.02786	0.3
325.03574	0.2
336.06610	0.3
339.05197	0.3
347.11282	0.8
361.07251	0.5
379.08264	1.0
386.84628	0.2
397.09283	1.9
398.09521	0.2
421.06030	0.3
447.07355	0.5
448.07690	0.2
529.11353	0.7
555.09753	1.9
573.10895	1.9
573.25433	1.1
574.12262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.98822	1.3
63.11857	0.4
63.99257	0.4
69.54081	4.1
78.95908	50.2
94.98138	0.6
96.96967	10.7
112.06888	0.5
113.23347	0.5
150.98019	0.8
152.99603	46.4
153.99951	1.4
171.00584	0.7
223.00227	2.2
241.01183	27.9
242.01534	1.3
255.23280	63.3
256.23636	6.1
259.02356	0.5
315.04849	7.7
316.05307	0.5
351.10718	0.5
351.15167	0.5
391.22531	4.8
571.28894	100.0
572.29224	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	572.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98833	100.0
62.98525	0.2
63.99261	0.3
65.92451	0.1
71.01396	0.2
71.72147	0.1
85.02979	0.2
87.04520	0.2
89.02448	0.2
97.02964	0.2
101.02463	0.2
109.02966	0.2
113.02482	0.2
125.02468	0.2
137.02484	0.2
139.04066	0.4
151.00404	0.2
162.73581	0.1
163.03900	0.1
174.73512	0.1
179.90016	0.1
191.05630	1.2
198.54749	0.1
212.05031	0.1
215.07069	0.1
242.02330	0.1
243.02953	0.2
255.03009	0.3
256.03592	0.1
271.02460	0.5
286.04388	0.2
299.02020	0.4
300.02780	1.4
325.06982	0.2
354.76669	0.1
397.09253	0.2
410.17026	0.4
433.07892	0.1
487.12643	0.3
488.13385	0.3
504.12827	0.3
512.27179	0.1
573.19287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.52125	0.2
57.03448	7.4
59.01377	2.7
61.98831	63.9
62.98532	0.4
63.99262	0.4
65.00322	0.3
68.33018	0.2
71.01382	1.1
71.05022	8.4
71.72207	0.3
72.05361	0.3
77.03991	0.6
79.01911	0.5
81.03486	0.3
83.01400	0.9
85.02968	0.6
87.04530	0.7
88.98814	0.3
89.02454	0.8
93.03497	0.4
95.01405	0.2
95.05018	1.8
97.02964	6.7
99.00897	0.4
99.04536	5.6
101.02457	3.3
101.03081	0.3
101.06172	0.2
109.03017	0.3
109.06596	0.2
111.04546	0.5
113.02471	0.4
119.05051	0.4
121.02981	1.7
123.04559	0.6
125.02463	5.5
125.06097	3.3
126.02792	0.3
135.04541	1.0
137.02466	0.6
137.06094	0.4
137.09808	0.3
138.03276	0.6
139.04028	100.0
140.03355	0.4
140.04376	4.0
143.03557	0.3
148.01680	0.2
149.02402	0.3
149.04544	0.2
151.04007	0.4
153.05580	1.3
161.04572	0.3
163.04027	10.3
164.04341	0.7
165.01924	1.6
165.05568	0.3
177.05522	0.2
181.05090	3.1
181.79648	0.2
182.05414	0.2
183.02885	0.3
187.03903	0.5
189.02034	0.3
190.06372	0.4
191.05600	0.5
193.05127	0.3
197.08180	0.9
200.37981	0.2
204.04301	0.2
205.05055	0.8
205.08678	0.4
206.09688	0.2
209.11928	0.3
217.04823	0.4
217.06601	0.9
218.05833	0.8
219.03004	0.4
221.11826	0.3
223.09802	0.6
243.08493	0.2
247.09741	31.6
248.10086	2.5
255.03064	0.2
265.10797	10.8
266.11026	0.5
289.10812	1.9
301.09549	1.0
305.08820	1.0
307.11887	0.5
331.19037	0.4
343.10379	1.3
367.30771	0.2
373.20239	0.9
383.13275	0.3
391.21219	0.9
409.16174	0.6
427.16071	11.5
428.16318	1.6
445.13559	2.4
446.14218	0.2
469.17139	8.1
470.17371	1.0
474.41455	0.2
509.20255	2.2
510.20496	0.4
535.18225	0.3
553.19257	2.0
553.26764	0.5
554.19684	0.3
557.24902	0.3
571.20251	6.7
571.27808	4.1
572.20630	1.2
572.28632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68686	0.1
58.97691	0.1
59.01383	0.2
61.98833	100.0
62.98525	0.2
71.01395	0.2
71.48772	0.2
78.95927	0.1
85.02983	0.1
87.04523	0.3
89.02433	0.1
96.96034	0.2
96.96981	0.1
109.60715	0.1
139.98660	0.1
174.40651	0.1
185.82697	0.1
191.05602	0.2
197.08336	0.1
233.45023	0.1
246.57465	0.1
336.54163	0.1
349.74338	0.1
433.70505	0.1
510.26422	0.2
510.36749	0.1
571.27850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59446	0.1
57.03450	1.2
59.01380	3.1
60.01718	0.3
61.98833	100.0
62.98547	0.4
66.36816	0.1
67.77288	0.1
68.58819	0.1
69.03458	0.2
70.85799	0.4
70.86141	0.2
71.01394	1.3
71.05027	1.3
73.02969	0.5
76.51641	0.2
83.01396	0.3
84.28260	0.2
85.02970	0.5
87.04523	14.2
88.04855	2.6
88.05333	0.2
89.02470	0.3
95.05021	0.3
97.02979	1.1
99.00892	0.2
99.04543	1.3
101.02460	1.3
102.02815	0.2
111.04514	0.2
113.02491	0.5
121.02961	0.2
123.04585	0.2
125.02475	1.1
125.06091	0.7
131.03522	1.1
132.03867	0.3
136.53772	0.1
137.02521	0.2
139.04033	16.3
151.04051	0.2
153.05659	0.2
161.04706	0.3
163.04033	1.5
165.01955	0.2
181.05098	0.5
191.05679	0.3
205.05255	0.2
209.11826	0.2
217.06775	0.2
218.05821	0.2
223.09851	0.6
247.09755	5.2
255.03041	0.4
256.03833	0.2
265.10773	1.9
267.03058	0.2
273.03802	0.2
286.04938	0.2
289.10880	0.3
289.16983	0.1
301.09497	0.1
355.07111	0.1
355.11975	0.5
373.13284	0.3
377.21838	1.0
377.30264	0.1
378.22162	2.7
379.22495	0.4
422.21274	0.3
427.16174	1.8
445.13687	0.4
469.17169	1.3
509.20428	0.6
510.26468	1.6
510.34360	0.2
510.36398	0.2
511.26208	0.2
535.18115	1.1
553.19238	0.3
570.26807	0.5
571.19989	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	570.241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03487	0.2
59.01385	0.7
61.98832	100.0
62.98515	0.1
71.01389	0.5
71.72440	0.1
73.02979	0.2
78.95930	0.4
85.02979	0.3
88.98818	0.3
89.02468	0.3
101.02458	0.4
116.92902	0.2
123.04527	0.1
125.02522	0.3
129.76776	0.2
152.05420	0.1
152.99632	0.5
161.10324	0.1
177.83632	0.2
189.05608	0.1
191.05591	0.4
243.03004	0.5
264.07123	0.1
271.02563	0.2
276.59326	0.1
289.07138	0.2
351.00870	0.1
359.15405	0.1
373.26105	0.3
507.15067	0.2
570.26471	0.4
571.28156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52579	0.4
57.03437	0.7
59.01373	2.9
60.01377	0.4
61.98833	13.0
65.00316	0.8
71.01379	2.1
71.71657	0.6
71.72009	0.4
72.99322	0.6
78.91921	0.4
78.95897	0.7
81.03459	2.5
83.01398	0.7
83.05024	0.5
85.02942	1.4
87.00896	0.7
88.98830	0.8
89.02444	1.3
96.96004	0.9
96.96973	0.5
99.08186	0.4
101.02438	1.2
101.06091	0.7
109.02972	0.8
113.02488	0.9
116.92861	0.5
119.03497	0.4
119.04954	0.4
120.99659	0.6
121.02961	0.4
123.00864	0.5
123.04589	0.5
123.08173	1.5
125.02460	5.2
125.06119	3.6
135.71246	0.4
136.05351	0.5
137.02492	0.8
141.09190	0.4
147.18147	0.4
149.02448	0.8
149.06088	0.4
150.03246	0.9
151.00375	1.1
151.04027	1.1
152.99620	0.4
153.01949	0.4
161.04657	0.4
165.01982	0.9
165.09230	19.1
166.09560	1.2
177.02040	0.5
179.03494	0.5
179.07137	0.4
191.05586	1.3
191.07146	1.2
193.08804	0.3
195.06609	0.6
197.11809	0.9
205.08734	0.4
209.08203	100.0
210.08539	6.5
233.08167	0.6
251.09256	0.4
289.07285	0.8
371.13498	15.5
372.13666	1.9
389.19498	0.8
447.22476	0.8
531.28326	2.1
533.28210	0.5
566.49457	0.4
569.26099	12.1
570.26385	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	569.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05225	0.2
55.01878	0.3
57.03435	0.3
59.01382	10.3
60.01702	0.3
61.71280	0.2
61.98832	100.0
69.03444	0.3
71.01385	4.2
72.99294	0.3
73.02953	1.1
83.01416	1.2
83.01847	0.3
85.02964	2.6
87.00871	0.3
87.04523	88.1
88.04857	2.2
88.98815	0.3
89.02456	1.4
92.02124	0.2
93.03423	0.2
95.01434	0.3
97.02959	0.4
98.19860	0.6
99.00896	0.6
101.02464	2.8
102.02821	0.2
109.02944	0.3
109.83433	0.2
111.00906	0.2
113.02452	1.3
116.92852	0.2
124.01620	0.2
125.02444	0.6
131.03522	4.1
137.02499	0.4
143.03477	0.4
145.12288	0.4
159.03018	0.2
161.04543	0.9
171.10258	0.3
173.04573	0.3
182.90906	0.2
191.05576	0.6
209.11768	0.4
225.07588	0.2
229.83499	0.3
283.13232	0.3
289.16620	1.2
290.16754	0.3
307.17374	0.2
347.14944	0.4
377.21811	12.1
378.22037	1.4
421.20734	4.4
422.20746	0.5
439.21872	0.3
508.35660	1.4
509.25507	10.7
509.35233	1.7
510.26303	1.8
531.16486	0.3
566.24341	0.2
569.11560	0.3
569.26013	2.6
570.24506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07111	0.3
55.01888	1.0
57.03449	1.0
59.01380	18.2
61.98833	54.4
69.03470	0.3
71.01389	9.4
71.01762	0.7
71.72487	0.6
72.99327	1.3
73.02952	2.9
75.00880	0.4
83.01392	1.8
85.02960	4.4
86.03296	0.5
87.00866	0.7
87.04524	100.0
88.04868	2.4
89.02442	2.2
95.01377	0.8
97.02950	0.6
99.00888	2.0
101.02466	6.8
105.01958	1.8
113.02467	3.0
123.00975	0.5
125.02443	1.3
131.03522	6.6
131.80649	0.4
137.02382	0.7
139.04024	0.5
143.03496	0.8
149.04625	0.5
151.03838	0.5
159.03035	0.7
161.04594	2.9
165.01929	0.5
191.05597	0.7
209.08141	0.6
209.11697	1.2
289.16348	1.0
301.14395	0.4
305.10278	0.4
307.17404	1.0
343.19583	0.3
377.21832	21.2
378.22214	2.0
389.19238	1.2
421.20642	3.0
422.21042	0.4
439.93546	0.4
508.35043	1.6
509.26016	22.2
509.35382	1.9
510.26297	4.0
569.26239	4.8
570.25641	1.3
573.90759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82846	0.3
59.25529	0.3
61.98832	100.0
70.57204	0.2
71.72362	0.3
84.52391	0.3
159.43349	0.2
193.91046	0.3
221.57420	0.3
373.49109	0.3
377.06476	0.3
414.56360	0.3
427.18814	0.3
439.53360	0.3
568.37103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.6
57.03450	1.4
58.00589	0.8
59.01380	13.5
61.98845	0.7
69.97384	1.3
69.97801	1.5
71.01385	14.2
71.01750	1.0
72.99325	1.4
73.02950	5.5
74.99097	0.6
83.01395	4.6
85.02952	8.7
86.00114	1.1
87.00884	1.1
88.98819	2.2
89.02460	4.4
93.03449	3.1
95.01434	1.8
97.02971	0.7
99.00924	1.6
101.02453	14.9
101.03078	1.0
108.02206	0.7
111.00918	1.3
113.02459	7.1
116.92881	3.2
119.03484	1.3
121.02982	3.8
122.03752	10.0
123.04562	1.3
132.02206	0.9
133.02972	4.2
134.03754	3.7
136.01660	1.1
137.02478	1.0
138.84653	0.5
139.04115	0.8
147.04521	1.1
149.02463	28.0
149.06064	4.1
150.03241	75.4
151.03569	3.7
161.04593	1.4
163.04002	1.6
164.04810	7.3
165.05579	70.9
166.05977	3.4
167.10782	0.8
180.04330	4.8
181.05054	3.4
185.11795	0.7
191.05591	0.9
193.08661	1.1
195.06631	34.3
196.07314	6.5
197.08011	1.1
211.09737	8.4
245.13889	0.9
261.03912	0.7
261.84711	0.6
300.02808	0.9
344.12613	3.8
345.13135	0.7
347.17099	1.2
358.12482	1.7
359.11063	0.7
359.14990	10.6
360.14841	1.1
373.15033	26.6
374.15295	2.8
387.16351	0.8
427.16098	0.8
463.08261	0.6
521.20239	100.0
522.13293	0.9
522.20587	14.1
569.22009	20.8
570.22522	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	568.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60376	0.4
57.54842	0.4
57.88179	0.3
59.01381	0.6
61.98831	100.0
71.72439	0.4
71.72811	0.5
78.95899	0.6
79.46324	0.4
111.04556	0.4
138.67755	0.4
195.05203	0.4
221.08080	0.9
255.23264	0.7
269.24976	0.5
289.14456	1.5
290.14975	0.8
349.07443	0.4
357.20596	0.5
358.21298	1.0
359.18396	2.4
359.22415	0.5
360.18994	5.2
361.19449	0.9
364.60751	0.5
405.28717	0.4
428.25662	0.5
429.25983	2.0
430.26685	1.1
478.32962	0.6
494.32715	0.5
513.18225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.46925	1.2
69.47360	1.6
80.06866	0.3
98.20593	0.5
111.40555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03646	0.2
52.11537	0.2
57.40858	0.2
61.98834	100.0
70.34644	0.2
71.72021	0.5
74.76648	0.2
116.31589	0.2
150.89299	0.2
156.30321	0.3
162.94852	0.2
173.61305	0.2
201.80200	0.2
214.78261	0.2
218.39386	0.2
274.28619	0.3
373.53110	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32594	0.5
55.01875	2.3
57.03450	1.7
58.00577	1.2
59.01379	54.2
59.63968	0.5
60.01683	0.6
61.98832	14.2
69.43693	5.4
70.49793	0.5
70.99349	0.5
71.01388	25.4
72.99304	1.0
73.02950	8.5
74.84504	0.4
75.00859	0.5
83.01396	4.4
85.02960	14.1
87.00891	1.4
88.98812	1.1
89.02441	4.4
95.01382	2.0
98.20617	1.1
99.00898	2.7
101.02457	19.3
110.13822	0.5
111.00901	1.9
113.02458	10.5
114.02838	0.7
116.92866	1.2
119.03538	0.9
125.02469	1.1
129.01988	0.7
135.04568	0.7
141.02005	0.7
143.03506	0.8
159.02989	1.9
161.04567	8.6
171.13998	0.7
209.11775	0.7
222.99562	0.5
299.25955	2.0
345.30090	8.9
421.08432	0.5
456.51538	0.5
505.30151	0.5
507.35361	100.0
508.35718	15.8
567.25299	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77935	0.3
53.00318	0.3
55.01871	1.9
57.02025	0.2
57.03445	2.0
58.00590	0.6
59.01379	58.1
60.01704	0.6
60.99329	0.3
61.98829	20.8
69.03459	0.8
71.01386	28.1
72.01729	0.5
72.99323	1.1
73.02951	9.4
75.00887	0.6
80.96503	0.4
83.01385	4.6
84.02174	0.3
85.02955	14.5
86.00120	0.3
86.03268	0.4
87.00872	1.7
88.98814	2.1
89.02451	5.2
93.03485	0.3
95.01386	2.2
97.02981	0.7
98.19808	0.6
99.00889	3.9
101.02455	20.3
102.02797	0.6
103.00401	0.4
109.02968	0.5
111.00891	2.4
113.02464	11.1
115.92046	0.4
116.92881	1.7
119.03482	1.4
121.02956	0.4
123.04545	0.4
124.01732	0.3
125.02477	1.4
129.01895	0.8
131.03543	0.5
135.04489	0.7
137.02473	0.3
139.03987	0.4
143.03531	1.1
149.04573	0.3
151.00404	0.4
152.54092	0.3
159.03023	2.1
159.04179	0.4
161.04573	8.4
162.04955	0.5
171.13989	1.3
179.03508	0.5
191.05666	0.4
192.04344	0.4
205.03528	0.4
209.11781	0.6
268.93695	0.3
279.23291	0.4
299.25894	1.7
345.26440	0.3
345.30072	9.0
346.30478	1.0
387.18637	0.3
507.35342	100.0
508.35706	17.8
515.15320	0.3
531.28986	0.3
537.77887	0.3
567.24835	2.4
568.25409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1167
Annotation	Isoorientin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
57.03449	0.5
59.01373	3.0
61.98814	0.8
69.03461	0.4
71.01389	1.9
71.71996	0.6
72.99300	0.8
73.02968	0.5
75.00871	1.4
81.03466	1.2
83.01394	1.5
83.05032	3.7
85.01040	0.6
85.02971	0.7
87.00900	2.2
89.02448	1.6
93.03474	6.0
96.96021	0.7
99.00894	0.8
101.02451	0.5
103.00370	0.6
107.05033	1.1
109.03003	0.6
111.04535	12.3
112.04859	0.6
112.98843	1.7
113.00581	0.5
113.02485	0.6
115.02055	0.5
117.01962	0.8
117.03501	0.6
121.02946	0.6
121.78317	0.4
125.02464	1.4
126.78098	0.5
129.01993	0.4
131.67699	0.3
133.02965	0.6
134.03743	3.7
135.04547	26.7
136.04849	1.5
137.02486	1.5
143.01636	0.4
145.01436	1.0
151.03989	0.4
155.03526	12.7
156.03879	1.1
161.02454	1.8
161.04086	0.4
171.98621	0.4
173.04575	1.2
179.03516	15.5
180.03870	1.0
181.03146	0.8
184.98994	0.5
191.05580	1.4
198.04636	0.8
199.04208	23.0
200.04593	1.3
205.03159	0.9
217.05208	4.8
231.03185	3.9
241.05386	0.6
255.06711	0.9
258.01898	0.4
259.06348	2.3
269.04807	0.4
270.39154	0.4
271.02682	11.1
271.05911	0.8
272.03119	0.7
285.04062	0.5
287.05701	0.9
289.03705	1.5
289.07297	1.4
299.05817	0.8
301.03769	2.9
302.04419	0.7
315.12299	1.9
317.06860	1.7
327.12500	0.6
329.03302	0.5
341.07025	0.7
345.06329	0.7
359.07947	0.6
361.07254	4.8
377.09048	3.2
386.07687	0.8
387.07428	28.1
387.17883	2.8
388.07727	2.4
388.18561	0.5
399.32654	0.4
404.08783	0.7
405.08478	28.8
406.08615	2.5
455.28964	0.4
473.65250	0.4
489.17682	0.4
567.11725	100.0
567.24097	4.1
568.12012	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	567.376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16258	0.5
55.01862	1.9
57.03442	1.5
58.00578	1.0
59.01381	30.0
59.40823	0.5
60.01724	0.6
61.98835	11.4
64.31308	0.6
71.01389	20.2
71.72076	0.9
72.01720	0.6
72.99332	0.7
73.02951	8.5
83.01396	4.8
85.02956	11.4
86.00108	0.7
87.00877	1.3
89.02455	2.2
95.01408	2.1
97.02975	1.3
99.00889	3.1
101.02455	17.6
102.02798	0.6
111.00914	2.6
113.02467	8.7
125.02444	0.7
129.01959	0.8
135.04562	0.7
141.01917	0.6
159.02954	2.1
161.04636	3.1
191.05676	0.5
225.07840	0.6
299.26007	1.3
345.30118	4.8
365.66769	0.6
438.65176	0.5
507.35358	100.0
508.35730	17.8
567.25647	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57465	0.2
55.85589	0.2
56.18433	0.1
57.03437	0.2
59.01389	0.3
61.98829	0.1
65.00323	0.4
71.01363	0.2
73.02951	1.0
85.02989	0.2
99.92599	7.5
100.92603	0.3
107.01413	0.4
114.93398	0.2
116.92879	100.0
117.01958	2.2
117.92884	5.6
123.04520	0.2
125.02477	0.6
125.45196	0.1
133.11763	0.1
137.75441	0.2
150.03217	0.3
151.00406	2.3
151.04013	0.3
152.01074	0.3
152.30164	0.2
163.92221	0.1
173.43304	0.2
178.99876	0.5
200.46327	0.1
252.02658	0.2
267.94690	0.2
285.04065	1.4
286.04233	0.2
303.05130	0.7
304.48489	0.2
353.11728	0.2
449.10861	1.7
450.11151	0.2
502.33325	0.2
549.03027	0.2
567.23969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86075	0.2
51.85075	0.2
59.01384	0.5
60.99308	15.4
61.98830	0.9
69.65949	1.5
72.99316	1.4
75.00887	0.8
82.14340	0.2
88.98817	100.0
89.99145	1.0
98.20611	0.4
102.77721	0.2
109.03001	0.3
125.02440	0.8
131.96696	0.2
137.02399	0.3
151.00356	0.2
151.03990	0.2
157.77779	0.2
167.03455	0.5
175.03957	0.3
177.01776	0.3
191.12051	0.2
197.04985	0.2
209.04565	0.4
237.68466	0.2
239.12936	2.0
243.03044	0.7
243.06374	0.3
255.06532	0.2
261.04025	1.3
262.66357	0.2
264.09116	0.3
283.11841	3.0
285.07651	0.3
327.08701	1.6
357.09763	1.5
387.10724	0.5
392.27774	0.2
447.12927	0.3
477.10406	0.8
478.10452	0.3
567.24609	0.5
571.70947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59891	0.1
59.01389	0.9
60.99310	16.1
61.98826	2.6
69.88449	0.9
71.01391	0.5
72.99322	0.6
75.00909	0.9
83.01376	0.2
87.00904	0.3
88.15641	0.2
88.98816	100.0
89.99154	1.4
94.98080	0.3
100.68813	0.2
101.02458	0.3
109.03010	0.2
113.02473	0.2
115.92122	0.5
116.92867	0.6
120.99675	0.2
125.02448	0.2
146.74754	0.2
150.03322	0.2
151.00407	0.3
151.04083	0.2
187.61292	0.2
191.05547	0.3
199.04053	0.4
207.10550	0.2
239.12921	0.4
243.02977	1.7
249.38541	0.2
261.04062	2.0
262.04489	0.4
282.70435	0.2
283.11868	0.8
361.64963	0.2
477.10480	0.8
491.22314	0.2
507.27924	0.3
567.24591	3.4
568.24799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3904
Annotation	Furohyperforin
Peak:m/z	Relative Intensity
57.03447	0.7
57.66051	0.5
61.98849	0.7
70.91779	0.6
75.73033	0.4
79.01891	0.6
79.25496	0.5
85.02967	0.7
89.08436	0.5
98.19874	0.8
100.49838	0.5
107.05119	0.5
111.04541	4.8
119.08641	0.5
123.08192	2.1
138.03300	0.8
149.15892	0.6
151.04030	1.2
165.02007	0.8
165.09167	1.4
166.02756	3.6
167.14604	0.5
172.94463	0.5
177.05605	1.8
191.07204	0.8
198.08946	0.5
205.08784	2.1
207.06628	1.0
208.07416	17.4
209.08154	5.7
217.12387	0.5
219.06720	1.2
221.08208	8.9
222.08841	1.8
229.08684	1.5
229.12387	1.2
231.06677	1.1
231.13892	2.9
233.08203	5.7
233.11775	0.8
233.15955	0.5
234.08710	0.8
247.09764	17.0
247.12343	0.9
248.10025	1.5
257.11938	1.0
259.09839	1.1
261.11328	5.3
273.11267	0.7
275.12875	26.8
276.13290	2.5
315.16119	2.5
334.17365	0.9
343.19141	0.9
344.19815	0.6
358.50211	0.6
367.19104	0.9
385.20236	1.6
395.22495	1.3
399.25443	0.8
411.25415	6.2
412.25558	0.7
413.23077	2.9
428.25916	0.9
493.40570	2.2
565.39056	100.0
566.39447	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	565.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98833	1.4
71.01395	0.7
71.86445	0.4
79.01894	8.6
83.01438	0.4
85.02973	0.6
86.96825	0.4
95.01397	0.6
96.11941	0.4
98.20641	1.1
100.59462	0.4
111.00881	1.1
111.04508	2.9
124.01691	2.2
131.80989	0.5
135.04541	3.2
137.02455	0.7
138.03284	0.7
151.00389	15.3
151.04037	3.3
152.00731	0.6
164.83424	0.4
165.05559	1.4
166.06374	15.4
167.06676	0.6
177.01881	0.5
179.03572	1.1
188.33963	0.5
191.05734	0.6
194.05856	31.0
195.06198	2.0
198.05357	16.7
199.05750	1.0
212.97032	0.5
217.01405	0.7
229.78662	0.5
242.02238	1.2
257.04449	1.8
263.12881	100.0
264.13239	9.2
272.14127	1.1
273.14954	4.5
274.15195	0.5
274.68225	0.5
301.03561	2.4
344.99426	0.5
357.80710	0.4
477.20871	0.6
505.33090	0.5
511.76404	0.5
565.16656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64301	0.4
57.03450	1.0
59.01379	6.0
61.98832	29.3
66.55897	0.4
70.58925	1.7
71.01389	3.3
73.02953	1.0
75.00877	1.2
79.01897	7.9
81.03433	0.4
83.01387	0.6
85.02965	1.3
87.00876	1.0
88.98812	1.1
89.02456	1.7
91.01940	0.7
93.03435	0.8
95.01390	1.7
96.96013	1.6
97.02943	0.7
99.00919	0.5
99.04507	0.5
99.92590	0.4
101.02457	3.0
105.01968	0.6
107.01436	0.7
109.02962	1.3
111.00909	1.1
111.04526	4.1
113.02464	1.3
116.92892	3.2
119.03508	1.1
119.14117	0.4
121.02999	3.2
123.00887	2.8
123.04521	1.1
124.01672	3.9
125.02457	1.9
131.03529	0.9
135.04518	0.6
136.01671	0.6
137.02467	4.9
139.00386	1.5
139.04048	0.6
145.46471	0.4
149.04543	0.8
151.00385	16.7
151.04013	2.9
151.07654	4.0
152.00745	1.1
153.01862	0.4
161.04478	0.6
163.07632	3.0
165.01942	20.8
165.05643	1.1
166.02328	1.0
166.06371	12.9
167.06796	0.4
169.01465	2.3
171.10252	0.6
177.01947	1.1
177.05565	1.5
179.03510	1.3
189.01904	0.7
189.05537	0.4
191.05582	2.0
194.05850	35.3
195.06358	2.7
198.05339	18.0
199.05746	0.8
207.06686	2.0
216.00705	0.6
217.01382	1.4
223.06108	1.3
223.09839	0.6
231.02979	0.5
242.02240	1.5
245.00911	0.4
257.04562	1.9
258.04987	0.6
259.06219	0.6
263.12863	100.0
264.13211	10.1
265.29898	0.5
273.00156	0.5
301.03543	8.4
302.03986	0.7
313.05643	0.4
327.21713	1.0
328.22104	1.1
329.22675	0.6
346.10590	0.8
355.06726	0.5
357.11914	1.2
361.12927	2.9
373.22360	2.7
403.13904	1.9
419.11270	1.0
505.26230	2.3
521.20331	1.5
522.20636	0.4
547.18036	1.7
565.18719	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	565.0489
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
54.38381	0.2
59.01364	0.2
62.96404	0.4
70.57556	0.7
78.95912	100.0
82.61198	0.2
96.22315	0.2
96.95968	1.0
96.96977	38.0
98.19983	0.2
111.02022	9.0
112.02331	0.2
116.63834	0.2
120.97005	1.7
130.42238	0.2
136.94125	0.3
136.96461	0.3
138.98047	3.3
150.98048	2.9
158.62164	0.2
158.92561	15.3
162.97922	0.2
163.53491	0.2
164.03568	0.5
166.33755	0.2
174.98073	1.1
176.93581	1.2
178.95103	0.3
182.04585	0.3
192.99084	1.2
204.99136	0.3
211.00131	4.3
223.00105	0.4
241.01178	8.8
242.01573	0.4
259.02444	0.2
272.95712	5.1
280.02325	1.9
305.01831	1.1
320.97873	2.5
323.02869	59.2
324.03195	4.6
329.13367	0.2
384.98489	4.6
402.99496	1.5
467.07404	0.3
514.43024	0.2
565.04846	27.5
565.96356	0.2
566.05206	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.2
62.39568	0.7
71.36436	1.5
71.36765	0.8
72.24967	0.8
85.06593	1.3
95.37335	0.6
111.04527	16.6
111.08132	1.5
149.02463	1.7
151.04073	1.1
163.07628	0.8
165.05592	1.7
191.07076	0.8
192.07944	1.4
193.05074	3.4
198.05299	1.0
205.05051	1.7
207.06648	1.2
219.06633	2.7
221.08235	3.9
233.08141	2.9
258.51392	0.8
273.11383	2.1
287.12817	3.3
289.14444	4.6
328.17773	0.8
331.19107	2.4
341.17569	4.2
355.19073	1.0
359.18631	83.7
360.18973	11.4
371.18777	1.2
385.20050	3.7
386.20648	1.0
430.50159	0.8
519.38214	1.2
563.37451	100.0
564.37762	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	565.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79512	0.1
55.71643	0.1
59.01371	0.1
61.98840	0.9
71.01398	0.2
71.05138	0.2
99.92602	8.1
100.92631	0.6
100.93208	0.1
114.93451	0.2
116.92883	100.0
117.92888	6.9
117.93744	0.2
128.76183	0.1
151.00414	0.4
178.99792	0.1
243.02943	0.4
255.03035	0.5
258.53140	0.1
261.04071	0.4
271.02573	1.1
272.02902	0.2
299.01877	0.2
300.02777	1.8
301.03519	1.3
312.75058	0.2
330.14740	0.1
332.39221	0.1
382.94467	0.3
447.09341	2.8
448.09735	0.4
477.10626	0.2
547.01910	1.7
548.02380	0.3
578.02441	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	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00107	3.8
53.53951	3.2
57.03436	17.5
70.96028	8.2
70.96361	4.0
85.02968	40.2
85.06580	13.7
87.04537	6.3
89.14734	3.5
99.08147	5.8
111.04529	32.1
111.08185	4.9
113.06096	8.4
125.06097	10.3
125.09707	4.2
132.48636	3.6
151.04008	8.1
155.07182	27.7
163.07619	6.3
169.08791	6.9
169.15988	9.2
173.09708	5.1
177.09186	4.4
181.05052	8.1
183.06631	5.5
194.05750	8.0
195.06592	5.1
197.08287	3.9
201.12961	6.7
205.08669	5.6
208.07404	8.2
209.08131	5.6
221.08241	30.8
222.08737	6.7
233.08125	5.2
237.14795	9.4
243.13844	6.4
247.09895	4.6
259.09848	3.8
261.15021	6.1
263.12814	10.0
275.12817	21.4
305.13626	4.2
313.18118	7.3
331.19095	42.9
332.19412	6.1
333.17105	99.6
333.23352	4.2
334.17386	7.2
345.20673	23.3
345.24353	4.1
346.21246	4.0
347.18640	59.6
348.18893	7.7
349.20273	10.9
359.18555	5.8
375.18179	53.1
376.18759	10.9
377.19580	20.0
389.19958	20.6
390.20404	10.6
391.21146	7.9
459.84851	4.0
563.37445	100.0
564.37549	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	563.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60718	2.2
57.03453	14.3
68.99844	2.1
69.59790	15.6
71.05019	2.8
85.02963	32.9
85.06599	18.0
87.04514	3.5
95.01435	3.1
99.08173	3.1
111.04546	26.1
111.08177	7.9
113.06137	8.3
123.08178	4.2
124.31471	2.2
125.06106	9.0
137.06068	3.1
137.09698	2.7
149.09735	2.9
153.09254	2.0
155.07184	27.4
155.14447	2.7
163.07706	3.2
169.08760	8.1
169.16005	6.7
170.16380	2.1
173.09709	4.1
177.09195	3.2
179.03586	2.8
181.05064	8.8
181.08714	2.7
183.06615	6.4
191.07143	6.3
194.05853	4.0
201.12852	3.5
205.08690	5.5
206.09381	2.5
207.06540	2.4
208.07417	3.4
209.08098	2.5
221.08215	3.9
233.08229	3.8
237.14909	5.6
242.13141	2.7
243.13971	7.7
251.09459	2.2
260.14108	2.8
261.14859	4.8
263.12943	6.2
271.17038	3.1
275.12927	10.8
313.18152	7.9
327.19540	2.9
331.15259	3.3
331.19135	49.3
331.22910	3.4
332.19537	4.3
333.17078	100.0
334.17422	11.9
345.20828	20.1
346.21063	4.4
347.18674	48.4
348.19025	5.6
349.20297	13.1
359.18845	4.1
375.18210	45.9
376.18695	13.2
377.19595	16.4
378.20026	2.9
389.19632	19.7
390.20172	4.5
391.21390	5.3
409.24210	2.8
563.37567	26.6
564.37756	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.0
61.98824	4.8
71.72768	1.4
79.86095	1.3
80.36643	1.3
85.06589	1.9
86.81245	1.2
116.92874	1.5
124.01679	1.7
131.81934	1.2
136.16502	1.4
143.88106	1.3
152.01170	1.2
177.01926	3.1
193.08798	1.7
219.06578	5.1
242.02277	6.1
243.02919	2.5
245.08252	1.6
255.02905	4.4
256.03662	3.1
258.01651	4.0
259.02261	1.9
267.03192	2.2
268.03677	3.1
270.01633	2.4
271.02423	4.2
282.01596	7.4
283.02551	10.1
284.03043	2.1
285.07635	3.5
287.01859	2.6
295.02560	17.7
296.03122	5.2
297.03632	1.7
298.08359	3.4
299.02167	1.4
307.02487	10.7
308.03058	2.4
311.09286	9.5
312.10062	3.6
313.07227	15.1
314.07864	16.7
315.08279	2.0
319.06104	4.0
323.05603	1.4
326.07959	10.5
327.08691	6.7
335.05664	1.7
337.07111	2.1
339.08737	62.1
340.09302	18.3
341.06570	1.6
342.07428	18.5
343.07928	4.2
349.07114	1.7
351.08737	96.9
352.09048	11.1
353.10196	2.1
362.11420	1.6
363.08664	4.6
365.10059	2.4
365.14157	2.0
367.11887	3.4
372.08469	4.8
375.12344	11.7
377.10046	3.0
377.14050	21.1
378.10474	2.5
378.14716	2.5
379.11774	6.3
381.13519	2.3
382.14197	35.1
383.14590	5.5
393.13409	36.3
394.14218	100.0
395.14697	14.5
401.14255	1.9
404.12808	1.6
405.13376	3.6
410.13821	1.7
417.13400	5.4
419.10989	4.6
419.15759	14.4
420.15372	2.6
426.13361	2.5
445.16449	3.6
451.13641	2.4
459.17938	2.7
461.15750	5.9
462.20636	4.7
465.18839	1.9
466.19907	33.1
467.20248	5.6
477.19232	19.1
478.19928	2.7
494.19470	40.3
495.19965	7.1
531.23730	5.1
535.27136	22.8
536.27020	4.1
563.26385	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01378	2.2
61.98835	4.6
69.59706	1.5
71.01388	1.4
72.99288	0.2
73.02938	0.3
75.00883	0.4
83.01405	0.2
85.02973	0.4
87.00881	0.2
89.02457	1.6
93.03495	0.7
96.96016	0.6
98.95611	0.3
99.00901	0.5
101.02468	0.9
108.02219	0.3
109.02968	0.7
111.00900	0.5
113.02460	0.4
114.93385	0.3
116.92879	0.4
121.02982	3.4
122.03786	1.1
123.00875	0.8
123.04526	0.7
124.01694	0.6
125.02469	0.7
131.03542	0.6
131.05029	0.2
134.03804	0.2
135.04555	0.6
136.01634	0.3
136.05367	1.0
137.02477	0.8
137.06094	0.4
138.03185	0.2
143.05074	0.6
145.02908	0.2
146.03743	0.5
147.04524	1.7
149.02467	1.7
149.04510	0.9
149.06108	0.2
150.03246	5.8
151.03944	0.7
153.05595	0.4
154.02722	0.2
158.03761	2.2
159.03172	0.3
159.04536	8.0
160.05324	24.9
161.06104	7.1
162.03244	0.2
162.06497	0.4
163.04045	4.8
164.04816	5.3
165.05435	0.7
168.04303	0.3
173.04619	0.3
173.06081	3.2
174.06653	0.3
175.07663	23.8
176.04782	0.7
176.07977	1.2
177.02045	0.4
177.05594	6.1
178.06378	6.5
179.03571	0.3
179.06859	0.4
182.63110	0.2
189.01973	0.3
191.05666	0.6
191.07181	0.4
192.07927	0.9
193.05069	0.2
193.08746	2.5
194.09001	0.2
195.06659	0.2
217.01469	0.2
217.08760	0.2
245.08067	0.2
255.06551	0.2
289.07190	0.7
290.07428	0.4
291.07745	0.4
299.05420	0.2
299.12946	0.3
314.11646	0.8
318.76950	0.2
329.13953	100.0
330.14307	11.7
341.06619	0.6
359.15042	2.6
360.15271	0.4
371.15280	0.2
371.20676	0.4
371.49628	0.2
466.08990	0.5
503.12866	0.2
503.24887	0.7
519.24188	0.3
563.15094	0.4
563.28333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.178
Annotation	Isoliquiritigenin 2'-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
52.09739	0.2
52.47935	0.1
57.03450	0.7
59.01381	3.7
61.98833	5.2
63.02400	1.1
65.00325	4.1
66.91917	0.2
67.01886	0.5
68.99821	0.8
69.03462	0.2
71.01393	2.1
71.72341	0.2
71.72739	0.2
72.99313	0.4
73.02954	0.9
73.44900	0.2
75.00852	0.2
77.18439	0.2
81.03505	0.2
83.01395	3.9
85.02954	0.9
87.00889	0.8
88.98804	0.2
89.02457	1.5
93.03483	1.2
95.01427	0.3
96.96017	0.3
98.43967	0.2
99.04532	0.4
101.02468	1.5
107.01408	5.7
108.02240	0.4
109.02970	0.5
111.00920	0.2
113.02486	0.7
114.93439	0.2
115.05532	0.3
116.92844	0.3
117.03548	0.2
119.03535	0.5
120.02201	0.2
121.02982	0.3
123.00925	0.5
123.04514	0.3
124.01728	0.2
125.02470	2.4
130.04295	0.2
131.03523	0.3
133.02971	1.4
134.03748	0.2
136.01668	0.5
137.02477	1.4
141.07149	0.8
143.03542	0.2
143.04857	0.2
145.06619	5.1
146.06970	0.4
147.04558	0.3
149.02493	0.3
149.04503	0.3
150.03261	0.2
151.00391	13.2
152.01004	0.7
153.53351	0.2
155.08716	0.2
157.06583	0.2
158.03615	0.2
161.04597	0.4
163.00403	0.2
163.06209	0.2
164.01126	1.0
165.01852	0.3
167.08757	0.2
169.01434	0.4
169.06625	3.1
170.06955	0.3
171.04536	8.1
172.05260	2.0
173.04590	0.6
175.00325	0.2
175.04002	0.2
177.02002	1.3
178.02698	0.2
178.99887	1.9
182.07414	0.2
183.08170	1.8
185.06088	0.8
186.06883	0.3
187.07664	3.5
187.09366	0.2
187.77370	0.2
188.08005	0.2
189.01967	0.6
191.05606	2.0
193.06589	0.4
196.00061	0.3
196.05284	0.2
201.01952	0.5
209.05994	0.2
209.11856	0.4
210.12263	0.2
211.07657	9.8
211.13406	0.3
212.08000	0.8
213.05576	4.2
214.06136	0.4
217.01466	0.4
221.08311	0.2
225.05624	0.5
226.06358	0.7
227.03453	0.3
227.07150	0.5
229.01434	0.2
237.05560	0.3
239.03641	0.2
239.07182	0.2
242.02119	0.2
243.03023	0.3
244.03471	0.2
253.05063	0.6
253.09062	0.2
254.05748	0.6
255.06628	100.0
256.04138	0.3
256.06955	9.4
257.00937	0.4
257.04453	0.2
258.01648	0.4
259.02582	0.3
267.06241	0.2
269.08197	0.5
279.06598	1.2
283.02457	0.8
284.03287	2.6
285.03973	0.7
286.04590	0.2
289.06989	0.2
297.04300	0.3
297.07669	3.0
298.07904	0.4
306.07489	0.2
309.07797	0.4
309.14853	0.3
312.18134	0.2
321.07721	0.3
323.05746	0.2
327.15878	0.3
327.21838	0.3
339.08746	0.4
341.06784	0.8
345.17331	0.3
357.09769	1.7
371.15118	0.8
381.09775	1.8
382.10074	0.3
389.16397	0.4
390.09811	0.2
392.12781	0.2
399.10828	0.6
401.12381	0.6
439.83011	0.2
443.13556	1.9
444.13568	0.3
447.07257	0.5
466.08975	0.3
503.13541	0.6
503.24844	0.4
503.32220	0.5
527.13110	0.2
545.16400	1.9
546.16541	0.4
563.17749	64.2
564.18127	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	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51176	0.2
55.70102	0.2
57.03448	12.9
59.01379	7.2
61.98835	5.4
63.02399	0.2
71.01382	2.8
71.72089	0.3
73.02962	0.6
81.03459	0.5
83.01395	0.8
85.02979	1.2
87.00893	1.0
88.98776	0.2
89.02464	1.1
91.27367	0.2
93.03481	1.0
95.01419	0.3
99.04531	13.4
100.04858	0.2
101.02460	5.9
101.03082	0.4
107.01416	0.6
109.02969	1.0
111.04526	0.3
113.02455	1.0
119.03551	0.3
121.02979	0.5
123.04528	0.8
124.01674	0.6
125.02461	12.8
126.02811	0.4
133.02971	0.9
133.78850	0.2
134.03748	0.3
137.02460	0.6
139.04037	0.2
141.05708	0.2
143.03503	0.7
149.02480	0.4
150.03363	0.3
151.00363	1.8
151.03960	0.3
151.07642	0.3
152.01173	0.6
159.04594	0.4
161.02473	0.3
161.04602	1.3
165.01941	0.2
170.03755	0.7
171.10161	0.2
173.04567	1.1
177.01984	1.2
178.02811	0.4
178.99831	2.6
179.03413	0.3
183.04407	0.3
186.06853	0.3
189.01866	1.0
191.05620	3.7
197.11778	0.5
203.03795	0.2
203.05544	1.1
203.07343	0.3
209.11861	0.3
211.04105	1.2
211.13461	0.4
214.02730	22.3
215.03133	2.1
217.01384	0.5
219.02982	0.3
221.08234	0.4
227.03485	2.8
228.03897	0.4
229.05109	1.2
229.08624	0.3
241.01367	0.4
241.04921	1.0
242.02206	65.8
243.02541	5.2
243.08655	0.3
245.08231	0.3
247.09819	0.2
253.09251	0.5
255.02969	5.0
256.03738	2.3
257.04541	100.0
258.04865	8.5
264.04251	0.8
267.02887	0.7
269.04550	0.3
270.05307	1.8
271.05972	0.8
279.06516	0.5
283.02582	1.3
284.03217	4.3
285.03986	1.0
289.07193	0.5
291.19595	0.3
299.05621	6.2
299.16638	0.2
300.06000	0.8
301.03378	0.3
305.08823	6.3
305.12408	0.2
306.08817	0.3
309.20773	0.4
327.15979	0.6
327.21704	1.6
341.06641	1.4
345.17090	0.8
371.14886	0.8
371.20261	0.2
381.09769	2.0
389.15991	1.1
399.10703	0.5
447.06750	1.1
448.07727	0.2
465.08533	0.4
466.09018	0.4
489.26639	0.5
491.90546	0.2
503.24789	0.5
503.32239	0.4
545.16327	2.1
546.16833	0.3
562.30566	0.5
563.17676	7.0
563.30731	2.6
564.17529	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	563.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50161	0.3
59.01380	0.8
66.43427	0.3
71.01381	0.9
84.81032	0.3
85.02955	4.9
87.00880	1.5
93.03476	2.4
96.96020	1.3
99.00863	0.4
99.04583	0.4
109.02930	0.3
111.00887	0.7
111.04548	0.9
112.23143	0.3
112.98831	1.9
127.04006	1.1
129.01999	0.4
133.02968	0.9
135.04533	0.9
154.99757	0.4
161.02394	1.5
171.02974	0.5
173.04565	1.3
179.03461	1.0
191.05623	100.0
192.05974	5.1
335.06219	0.8
353.08774	20.9
354.09128	2.5
371.09531	0.5
438.33002	0.3
459.93839	0.3
556.24268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05495	1.8
57.03453	8.7
59.01373	1.6
61.98834	16.7
65.80439	1.6
68.99825	8.5
71.05013	2.8
71.29960	3.4
73.26057	1.7
81.03475	2.3
82.95422	1.8
83.05042	4.2
84.95129	7.4
95.05066	2.3
97.06610	4.7
99.08183	4.6
99.92589	12.2
101.06082	8.1
109.02975	2.8
109.06603	4.2
111.04530	12.2
111.08189	1.8
112.11775	1.6
113.06123	5.3
115.92090	17.4
116.92878	20.4
121.06581	2.1
123.04519	2.2
123.08172	3.9
125.06104	95.8
126.06421	8.6
127.07663	5.7
132.92343	4.1
139.04033	6.4
149.06039	1.9
149.09720	2.7
151.11266	1.6
163.07588	1.7
163.11359	4.3
175.04117	2.1
175.07561	2.2
177.09311	1.8
179.07143	4.0
181.08728	4.8
186.77930	1.8
187.11334	2.0
187.50282	1.7
191.07172	2.0
191.10861	2.0
192.08017	2.1
193.08719	6.9
195.06657	3.0
195.10062	1.9
196.07304	2.4
196.81357	1.7
205.08734	2.0
209.11839	5.9
215.10736	2.6
217.12317	1.6
219.10349	3.8
221.08167	5.9
222.09007	3.8
224.03178	1.7
226.23006	1.9
233.08200	3.1
233.11713	2.5
233.15393	2.5
235.09715	5.0
243.10159	2.5
245.08192	4.9
247.09807	9.7
247.13606	2.4
251.12891	3.0
259.09653	4.9
263.12762	2.0
265.14444	6.8
266.14688	4.9
273.11456	1.7
273.15036	2.1
275.13223	2.1
277.11115	2.2
289.11169	3.1
289.14413	5.9
290.22202	3.5
291.15906	3.4
293.13861	3.9
294.14331	5.2
301.14487	5.1
301.17792	1.9
303.15918	5.1
304.16473	3.1
313.14182	1.8
315.16064	4.2
315.19553	1.7
317.13986	16.3
317.17307	3.7
318.18124	2.1
322.14261	3.1
323.14661	4.6
331.12228	1.9
337.21921	3.2
351.18253	2.3
352.18451	3.5
357.17133	2.7
359.18723	2.2
371.18698	2.5
385.16257	3.3
387.18008	9.2
390.20224	2.9
399.17899	3.2
401.19827	7.3
415.21265	2.9
417.19235	4.2
429.22748	8.7
441.26251	2.1
443.20236	3.6
443.25150	2.2
455.24222	3.9
461.25424	20.3
469.25754	5.3
475.23013	4.5
476.27539	26.1
477.27533	5.1
497.25259	2.6
511.30930	9.1
527.30121	67.8
528.30719	15.6
529.27991	38.1
530.28461	7.8
544.17303	3.0
561.17450	3.9
561.30865	100.0
562.18237	2.7
562.31110	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	561.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.5
59.01365	1.2
61.42709	0.5
61.98833	1.6
65.03954	2.1
67.01881	1.0
68.99816	2.1
69.03471	0.8
69.43226	5.8
71.05025	0.9
79.05556	0.6
81.03471	1.3
83.05042	1.5
95.05025	1.7
97.06589	1.1
99.08163	2.1
99.92567	1.3
101.06114	2.6
103.26936	0.6
107.05048	2.0
109.02962	7.1
109.06590	1.7
111.04525	1.9
115.92101	1.4
116.92860	1.3
119.05054	1.0
121.06612	1.6
123.04526	1.7
123.08182	1.7
125.06103	100.0
126.06422	4.4
127.07684	1.3
135.04587	0.6
135.08171	1.0
137.02405	0.9
137.09735	1.3
147.04507	0.6
147.08104	0.7
149.06093	2.7
151.04073	0.8
153.09245	1.0
157.06529	0.9
161.06076	1.0
163.04010	0.9
163.07671	1.0
163.11298	0.7
165.05568	2.0
169.38712	0.6
173.06148	0.8
175.04106	0.9
175.07664	0.9
175.11360	1.1
177.09119	1.1
179.07190	1.0
181.08797	0.8
187.07632	1.1
189.05589	1.2
189.09212	1.1
189.12822	0.7
190.06358	0.5
191.07161	1.8
191.10800	1.0
193.08665	1.3
195.10442	0.8
201.09196	1.1
202.06383	0.6
203.07213	0.9
203.10764	1.5
205.04921	0.6
205.08662	1.1
205.12340	1.8
207.06621	1.4
207.10277	1.1
208.07359	0.7
212.06841	1.1
215.07095	0.9
215.10760	1.0
217.08778	0.6
219.06615	1.3
219.10306	2.5
221.08084	0.9
229.08699	1.3
229.12321	1.1
231.10297	1.1
231.13803	0.8
233.08253	2.4
234.08975	1.0
235.09731	1.1
243.10196	1.4
245.08235	2.3
245.11858	1.4
246.12558	0.9
247.06168	0.5
247.09749	4.7
247.13416	2.2
249.11353	1.5
257.11868	1.4
259.09680	2.9
259.13370	3.6
259.16034	0.6
260.10294	0.8
261.07730	0.6
261.11288	1.0
261.15146	0.7
271.09732	0.6
271.13419	2.9
273.11459	1.1
273.14957	1.9
274.15579	0.7
275.12839	1.4
285.11307	1.2
285.14642	0.7
287.12909	1.0
289.10852	1.4
289.14511	2.0
291.12418	0.6
297.18744	0.6
299.12979	1.7
301.11011	0.7
301.14438	1.6
301.17828	0.7
303.12430	3.7
303.15387	0.7
305.14182	0.7
313.14713	0.7
313.18152	1.0
317.13971	9.3
317.17548	0.5
318.14478	2.0
329.17584	3.6
331.15570	1.4
341.17728	0.9
343.15424	0.9
343.19125	0.8
345.13568	1.7
349.16461	0.7
350.13831	0.8
355.19067	0.7
357.16937	1.2
357.20691	1.5
360.19199	1.0
371.22491	0.8
373.16632	1.0
375.18036	1.8
375.25558	0.8
381.20657	1.8
383.18585	0.7
385.16422	0.7
387.18167	8.0
388.18530	0.9
399.18439	1.4
399.22122	9.6
400.22241	1.5
401.15604	1.0
403.21466	3.6
413.23380	0.9
415.21268	2.5
417.19208	1.0
428.18451	0.7
429.22839	1.3
436.91357	0.6
441.22885	1.7
443.20682	52.6
444.21027	9.3
445.22327	0.7
455.28333	3.4
457.22314	2.4
458.23114	3.2
459.24100	1.0
460.20911	0.7
461.25424	1.8
469.26160	1.6
475.23383	82.5
476.23676	16.3
499.27084	1.7
511.30338	4.5
512.30951	1.0
527.30078	38.6
528.30371	7.4
529.28143	12.7
530.28418	2.7
543.29810	0.9
561.30798	33.6
562.31171	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	561.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
58.00585	3.6
59.01381	73.7
60.01688	1.0
61.98827	3.8
71.01388	46.0
71.71947	1.0
72.01720	0.7
72.99317	3.0
73.02953	11.3
78.37294	0.5
82.95425	5.1
83.01388	1.9
83.53688	0.5
85.02957	6.4
87.00887	1.7
88.98824	0.9
89.02455	100.0
90.02784	2.2
93.03468	1.2
95.01366	0.8
96.96030	4.8
97.02959	1.3
99.00893	19.4
101.02459	41.9
102.02815	1.0
105.03438	0.7
107.01419	0.8
109.02962	1.9
111.00912	0.8
111.04591	0.7
113.02483	8.2
119.03529	3.8
123.04502	0.7
125.02475	8.2
129.02007	0.9
131.03525	34.8
132.03836	1.4
133.02960	2.7
135.04494	0.6
137.02438	1.0
143.03503	2.5
149.04576	86.5
150.03188	0.6
150.04907	2.5
151.00375	5.1
151.04018	1.6
152.01118	0.7
153.01933	1.9
161.02487	0.7
161.04562	3.5
163.00415	1.4
163.07697	0.7
165.01927	1.1
173.04520	1.1
177.01923	4.1
178.99899	2.5
187.03973	0.7
191.05620	29.1
192.06084	1.1
205.01591	0.6
207.06650	13.0
208.07100	0.7
221.06674	5.8
243.03033	1.3
245.08289	0.9
251.07700	6.7
261.94229	0.6
273.07715	2.3
275.07715	0.9
281.08771	1.2
289.07172	2.0
293.08807	2.9
300.02731	0.8
301.03345	1.1
311.09827	5.3
369.09680	0.7
371.11380	0.6
381.09781	1.7
399.10773	2.8
487.05716	0.7
561.16107	1.8
561.25873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80129	0.9
54.85814	1.0
57.03437	2.0
58.00599	3.0
59.01383	75.9
61.98837	2.9
71.01389	55.9
71.71916	1.0
72.99329	3.4
73.02954	13.7
79.09165	0.8
81.13140	0.8
82.95441	8.7
83.01405	1.8
85.02972	7.5
87.00864	1.3
88.19392	0.8
89.02456	100.0
90.02802	1.7
96.96011	5.3
97.02978	1.5
99.00901	23.3
100.01329	0.9
101.02460	47.7
101.14894	0.9
102.02795	1.3
106.38567	1.0
109.02975	2.4
113.02460	10.7
115.04028	1.3
119.03505	4.2
125.02473	10.2
131.03528	34.1
132.03876	1.5
133.03012	1.7
135.04623	1.0
137.02443	1.4
143.03513	4.3
149.04581	98.0
150.04903	2.0
151.00392	5.6
151.04054	1.0
153.01942	2.4
161.04613	4.6
172.05276	0.9
177.01958	3.8
178.99904	1.8
181.39833	1.0
191.05621	30.9
192.06027	1.7
207.06664	6.5
221.06662	7.7
243.03027	1.6
251.07788	7.8
261.04007	1.0
273.07712	4.0
277.38831	1.1
281.08731	1.3
289.07346	1.9
292.09180	1.0
293.08725	3.8
297.45541	0.9
311.09821	8.1
381.09680	1.5
399.10837	3.4
529.83582	1.0
561.16016	2.0
561.26678	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	561.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
57.40606	0.2
58.00577	0.2
59.01380	11.9
61.98834	6.7
62.67342	0.2
65.00323	0.4
69.67019	1.7
71.01389	3.2
72.99301	0.4
73.02951	0.6
74.99030	0.2
75.00922	0.2
78.95908	1.9
79.95737	0.4
80.96523	0.5
81.03437	0.4
81.13539	0.2
83.01403	0.8
83.05042	0.3
85.02968	1.9
89.02458	2.3
91.90931	0.2
93.03474	0.4
95.01392	0.3
96.96026	11.3
96.96958	4.0
97.02983	0.3
99.00912	0.5
99.04503	0.2
101.02461	2.3
102.38686	0.2
107.01393	0.5
109.02957	1.2
113.02477	1.0
116.92865	0.4
119.03521	0.7
121.02975	100.0
122.03292	3.7
123.00922	0.3
123.04541	0.9
125.02469	3.5
131.03523	4.0
131.04459	0.3
133.03021	0.2
135.04510	0.4
137.02483	1.1
143.03549	0.6
149.02386	0.2
149.04578	0.5
150.03244	0.5
151.00424	2.3
151.04034	1.1
152.01224	0.3
153.01926	0.3
159.04523	0.4
161.02457	0.8
161.04565	0.7
161.06010	0.3
163.00294	0.3
163.04103	0.3
164.01109	0.5
165.01958	0.6
169.01340	0.3
173.04587	0.3
175.04002	0.4
176.04869	0.4
177.02011	1.5
178.99893	2.1
179.05615	0.5
187.04005	0.4
189.01981	0.6
191.03836	0.4
191.05602	2.3
205.05072	0.4
205.08707	0.3
209.11890	0.3
211.03796	0.2
217.01428	0.4
227.03392	0.3
243.03009	1.9
245.08153	0.4
255.03015	1.1
271.02472	1.7
284.03247	0.3
285.04047	0.3
287.05432	0.3
289.07199	1.3
295.02484	0.3
300.02747	3.1
301.03528	2.0
325.14386	0.3
325.20187	0.4
341.05496	0.6
343.15237	0.3
353.06653	0.4
369.15582	3.4
370.16071	0.4
371.11093	0.4
379.16263	0.3
399.10513	0.4
409.05545	0.3
425.09735	0.3
463.08875	3.0
464.09192	0.5
501.19843	2.0
502.20334	0.7
543.14514	0.4
561.15759	1.3
561.21643	0.7
561.29822	1.1
562.15765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1984
Annotation	Saframycin A
Peak:m/z	Relative Intensity
57.03429	1.2
58.00579	0.4
58.84257	0.4
59.01378	8.6
61.98831	12.5
63.02396	0.5
65.00307	0.8
69.03448	0.4
70.89853	0.9
71.01386	6.7
72.99295	0.4
73.02934	1.0
75.00861	0.4
76.20494	0.3
80.96516	1.1
81.03444	0.5
81.36393	0.3
83.01367	1.3
83.05016	1.0
85.02967	1.9
87.00864	0.9
88.98813	0.4
89.02445	5.1
93.03437	0.6
95.01370	0.7
96.96009	1.2
97.02955	0.5
99.00858	0.6
101.02463	4.0
107.01366	1.0
107.36362	0.3
108.02202	0.4
109.02922	0.9
109.06570	0.5
113.02457	1.5
115.03999	0.4
116.92793	0.3
119.03506	1.1
121.02973	0.3
123.00864	0.3
123.04544	0.9
124.01667	1.0
125.01637	0.4
125.02469	3.9
131.03514	0.7
133.02997	0.4
135.00880	0.6
137.02464	1.4
143.03490	0.4
143.04994	0.3
149.02548	0.3
149.04555	2.0
150.03218	0.4
151.00397	2.6
151.04037	1.0
152.01106	1.0
153.01970	0.6
155.05043	0.4
159.04491	0.4
161.02409	0.5
161.04582	1.0
164.01180	0.4
165.01933	0.4
169.01411	0.3
171.10242	1.2
175.04019	1.0
177.01982	1.2
178.99950	1.7
179.05588	0.7
189.01875	0.7
190.02657	0.5
191.05623	3.8
197.11778	0.5
199.04007	1.7
201.01971	0.7
207.10240	0.4
209.11823	1.9
211.13422	0.3
214.02783	0.7
215.03499	3.5
216.03999	0.5
217.01321	0.4
225.00821	0.3
227.03531	0.8
227.07144	0.5
228.03992	0.5
229.01434	1.4
229.05046	0.6
231.03033	0.4
241.04996	1.3
242.02116	0.5
243.02968	100.0
244.03395	9.9
253.05083	1.2
253.09210	0.8
254.05711	0.9
255.02809	0.5
255.06613	4.5
256.07077	0.4
257.01022	0.6
257.08182	0.4
267.06680	1.6
268.07278	0.5
269.05222	0.5
269.08154	11.7
270.01694	0.5
270.05289	1.1
270.08630	2.3
271.02536	0.5
271.09872	0.3
273.04172	0.5
285.04630	0.6
285.07681	2.3
289.07132	1.5
299.01984	0.5
300.02853	0.5
301.03299	0.3
303.05136	0.9
307.18954	0.7
311.09152	0.4
312.06491	0.5
313.07144	8.5
314.07648	1.2
325.20200	1.9
329.06723	0.5
331.08337	0.5
337.14407	0.5
340.21536	0.8
341.06284	0.6
342.05539	0.4
353.18170	0.3
381.13599	1.3
447.13202	0.4
455.46054	0.4
463.08917	0.6
464.09610	0.6
473.28180	0.3
487.25244	0.4
499.19781	0.5
517.20984	1.2
561.06036	2.0
561.19916	74.1
562.20313	14.4
562.28479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00588	0.6
59.01381	9.7
61.98833	10.9
62.88519	0.3
63.02394	0.5
65.00320	1.0
71.01388	6.3
71.72485	0.5
72.99300	0.6
73.02940	0.8
78.95904	0.4
80.96510	0.6
83.01395	1.4
83.05038	0.7
84.15075	0.3
85.02957	1.7
87.00858	0.9
88.98809	0.6
89.02452	5.7
93.03442	0.9
95.01389	1.0
96.96012	1.0
96.96951	0.4
97.02932	0.3
98.95577	0.4
99.00876	0.9
99.04500	0.4
101.02464	4.2
105.07145	0.3
107.01397	1.2
109.02956	1.1
109.06584	0.6
113.02467	2.3
119.03519	1.5
121.92020	0.3
123.04504	1.1
124.01672	1.3
124.89980	0.3
125.02470	3.8
131.03494	1.1
135.00879	0.7
137.02449	1.7
143.03476	0.4
149.04601	1.7
150.03232	0.4
151.00385	2.6
151.04057	1.3
151.05119	0.3
152.01140	0.9
153.01909	0.8
155.05013	0.4
159.04440	0.3
161.02426	0.8
161.04494	0.8
162.02802	0.3
165.01959	0.8
169.01360	0.3
171.10291	1.0
173.02380	0.3
173.04590	0.6
175.04019	1.0
177.01920	0.8
178.99825	1.5
179.03456	0.4
179.05685	0.4
187.03998	0.4
189.01929	0.6
190.02676	0.6
191.03856	0.4
191.05646	3.1
191.07181	0.6
197.11827	1.0
199.04071	1.6
200.08464	0.3
201.01964	0.7
203.03552	0.4
209.11829	2.6
210.12134	0.3
211.13457	0.6
215.03508	4.0
216.04224	0.4
225.05614	0.5
227.03479	1.6
228.03983	0.5
229.01399	1.6
229.04973	0.6
239.06808	0.3
241.05043	1.2
242.02309	0.6
243.02977	100.0
244.03380	10.8
245.08122	0.3
253.05238	1.3
253.09253	0.8
254.05836	1.1
255.06619	4.0
257.00922	0.8
257.08130	0.3
259.02481	0.5
267.06635	1.1
268.07300	0.9
269.08176	13.1
270.05399	0.9
270.08737	1.3
271.02554	0.4
271.05750	0.4
273.04065	1.1
274.04501	0.3
279.19742	0.4
280.14648	0.3
284.03348	0.4
285.07599	1.6
287.09210	0.4
289.07166	1.4
289.18146	0.3
300.02808	0.5
303.04883	0.7
307.19009	0.4
312.06485	0.5
313.07193	6.8
314.07764	1.3
325.20328	1.6
329.06631	0.8
331.08267	0.5
335.12811	0.3
337.14392	0.7
340.21317	0.9
341.05405	0.6
343.11517	0.3
381.13535	1.2
399.10513	0.3
399.23843	0.7
409.05560	0.3
464.09515	0.6
492.12613	0.3
501.23422	0.4
501.30508	0.4
517.20868	1.8
561.06067	2.2
561.19922	71.0
561.28540	3.9
562.06793	0.7
562.20251	14.8
562.28754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1411
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
57.03448	4.8
59.01372	1.1
59.44302	0.4
61.98827	0.8
67.01902	0.4
69.03455	0.7
71.01368	1.1
72.99316	0.6
73.02940	0.4
75.00894	0.6
80.96548	0.5
81.03470	2.5
83.01402	4.4
85.02935	0.6
89.02455	0.7
93.03481	3.3
95.01419	1.2
95.05045	2.7
96.96030	1.0
97.02969	5.9
101.02473	0.6
107.05006	1.0
108.02188	0.9
109.02968	23.3
110.02603	0.4
110.03305	1.3
111.04553	0.8
113.02416	0.6
117.24465	0.4
120.02193	0.6
121.02992	3.9
122.03749	1.3
123.00917	0.6
123.04546	16.6
124.01717	0.4
124.04909	0.5
125.02467	35.3
126.02797	1.4
131.05025	1.0
133.02966	2.8
133.06642	0.6
134.03627	0.5
135.04544	3.2
137.02463	20.1
138.02933	0.6
139.04062	3.7
143.05038	0.5
145.02959	1.4
146.03754	1.6
147.04533	0.6
149.02466	6.0
150.03198	1.2
151.04050	9.3
152.04388	0.6
157.06618	0.8
159.04523	3.0
160.05310	1.2
161.02480	3.3
161.06096	5.7
162.03275	2.2
163.00385	2.6
163.04018	2.5
164.01178	14.3
165.01968	6.5
167.03462	1.5
173.04590	1.3
173.06041	1.0
174.03297	0.7
175.04019	4.1
175.07663	1.4
177.01926	4.6
177.05620	0.7
178.02625	0.8
179.03514	6.2
181.79857	0.4
185.06078	1.7
187.04002	5.5
188.04794	4.3
189.05528	1.4
191.05626	1.0
193.05019	0.5
199.07599	1.0
201.05592	0.9
202.06279	1.5
203.03484	1.0
203.07155	12.9
204.07544	1.0
205.01453	4.8
205.05067	8.3
206.05412	0.7
211.04048	0.6
212.04744	1.2
213.05524	0.5
215.03384	0.5
217.05124	0.6
219.50060	0.4
221.08202	2.7
227.07205	3.2
228.04166	0.8
228.46974	0.5
229.05005	1.6
229.08676	0.5
230.05806	0.6
231.03040	0.5
231.06737	0.5
239.12968	0.5
243.02879	0.8
245.08179	16.9
246.08563	2.3
247.06122	1.8
253.05061	0.7
255.03021	1.9
256.03760	1.8
257.04456	0.7
267.06689	0.5
271.06091	11.7
272.06509	1.2
273.07635	5.6
274.07950	0.6
281.04590	1.1
283.06131	0.7
283.11914	1.0
285.04202	0.7
289.07181	100.0
290.07507	9.8
313.07031	0.7
328.05878	1.9
329.06580	3.4
339.08820	1.0
381.10107	1.0
389.06366	0.5
391.11826	0.5
407.07779	11.3
408.07956	1.7
409.09317	1.0
410.10339	0.5
425.08514	2.2
435.10944	12.3
436.11166	1.9
543.12433	2.4
544.12994	0.5
561.14166	6.3
561.26208	0.9
562.14319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03441	6.5
61.98832	43.0
68.99820	9.3
70.59952	1.2
71.05022	2.0
71.30157	1.9
82.95435	2.3
84.95127	1.2
85.02970	1.7
85.06607	1.4
97.06607	19.4
99.08175	2.8
99.92564	2.3
101.06102	25.3
101.98088	6.2
109.06603	3.1
111.04538	2.0
113.06104	2.6
113.79211	1.1
115.07672	2.6
115.92123	1.9
116.92877	2.9
123.04545	1.3
125.02444	1.5
125.06107	73.1
126.06482	3.5
127.07667	18.3
129.05606	2.0
133.06532	1.0
137.02441	2.4
137.06114	1.0
137.09779	5.2
139.00372	1.6
139.04037	41.5
140.04384	1.3
141.09254	1.4
145.97168	1.1
146.37897	1.0
151.04037	2.2
151.11295	3.4
153.05592	8.7
165.05518	1.3
174.98915	1.0
177.09229	1.4
178.02693	1.1
180.04164	1.0
181.04953	1.1
181.08698	1.7
182.04333	2.0
186.03790	5.8
191.10823	1.2
193.08757	2.2
194.84514	1.1
196.07425	16.0
197.08141	1.6
200.06931	8.1
205.12230	1.3
207.06599	1.6
207.10143	2.2
209.08221	1.4
209.11838	4.7
210.03931	1.8
212.06863	1.5
219.06628	4.0
219.10193	2.6
219.17535	1.3
221.08191	2.2
221.15475	1.3
233.08202	3.1
234.08965	2.0
235.09694	11.6
239.16597	1.7
247.09798	3.5
247.13368	3.2
249.11391	1.6
253.10873	7.8
254.11070	1.5
259.17053	2.4
261.11377	1.6
261.14877	1.4
263.12918	2.4
265.14453	57.9
266.14755	6.6
275.12805	5.1
277.10788	3.8
289.14557	1.8
289.21765	20.4
290.22089	2.8
291.12854	1.3
291.15942	1.6
293.13916	39.9
294.14346	4.3
303.12784	1.4
303.15988	7.1
303.19437	2.2
304.16235	1.8
315.15991	1.3
317.14063	1.7
317.17450	2.1
321.13419	2.7
322.14221	21.8
323.14639	3.0
332.11389	1.4
333.17044	3.4
338.08502	1.6
345.16916	1.7
345.20697	4.1
346.17761	1.4
350.12122	2.8
351.18115	16.7
352.18472	2.9
387.98550	1.0
389.19714	14.2
390.19922	2.2
391.21262	3.9
401.23410	3.9
406.19818	2.9
415.24811	2.3
443.24435	3.9
457.26025	1.9
459.27423	3.7
462.25897	1.7
475.27026	100.0
476.27335	21.3
527.30145	3.9
529.28442	1.3
560.25018	14.4
561.31946	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	560.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.7
59.02145	1.0
59.23018	0.9
59.55386	1.0
61.98834	10.1
68.99822	9.0
69.99033	5.5
97.06593	4.3
98.19971	1.5
101.06107	4.8
105.54384	1.1
111.04576	1.2
113.06097	2.9
116.92851	1.3
118.54856	1.1
122.04900	1.0
125.02475	2.5
125.06106	44.9
126.06416	1.1
127.07681	11.3
137.09752	1.7
139.04024	6.9
151.04024	1.1
153.05609	2.0
180.04269	1.4
193.08678	2.9
196.07381	4.5
200.06862	1.1
205.08716	1.5
207.10213	1.9
209.08191	1.7
219.06595	3.0
221.08246	2.1
221.15323	1.3
233.11768	1.5
235.09747	12.1
236.10419	2.5
247.09755	1.8
247.13391	2.9
249.11134	1.3
261.15009	1.9
263.12885	2.3
265.14410	9.6
275.13138	1.4
275.16403	2.1
277.10831	1.5
291.15958	1.4
293.13977	9.6
294.14233	1.2
301.47937	1.1
303.16010	7.1
303.19315	2.1
304.16327	1.8
305.14136	1.7
317.17477	1.8
319.15344	1.0
322.14209	4.6
333.17133	2.0
345.20798	3.0
351.17944	5.2
354.34277	1.0
389.19684	16.9
390.20102	3.6
401.23370	2.1
406.20255	1.2
443.24362	4.5
475.27036	100.0
475.79553	1.4
476.27454	18.1
560.24933	13.1
561.25031	2.1
561.33771	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	560.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.1
61.98836	14.8
62.95199	0.8
68.99827	12.0
98.19668	0.7
99.08150	1.4
99.92612	1.4
100.92617	1.0
101.06112	1.5
109.06633	2.8
116.92867	4.7
117.92924	1.5
123.04599	0.8
125.06107	84.5
126.06436	3.5
127.07675	22.0
137.09746	4.3
143.94926	0.7
146.17664	0.8
151.04005	1.6
152.04745	0.9
153.09215	0.9
180.04213	0.7
193.08701	3.4
193.12436	0.8
196.15425	0.8
206.09384	1.7
207.10277	2.5
209.08170	2.8
210.03954	1.3
219.06581	3.6
219.13780	0.9
221.08232	1.4
221.46564	0.7
222.91574	0.8
229.88757	0.8
233.08304	1.1
234.08818	1.8
235.09734	14.5
236.10371	1.9
247.09729	2.9
247.13362	7.2
248.10390	0.9
249.11241	1.9
249.14973	1.7
259.16974	1.2
261.11160	1.5
261.14865	1.9
263.12802	3.8
266.08206	1.0
275.12946	2.0
275.16367	1.9
276.13788	0.8
277.10754	5.0
278.11365	1.1
289.14383	1.5
289.17737	0.8
291.15866	2.0
303.15988	10.1
303.19656	5.4
304.16510	1.9
317.17606	1.7
332.11276	4.3
333.17007	6.2
334.17734	1.1
345.17133	1.3
345.20590	5.2
346.17841	2.0
357.24622	1.6
361.20145	1.2
389.15048	1.1
389.19678	31.2
390.20007	4.7
401.23355	4.8
402.23767	0.9
415.25006	2.9
418.14777	6.0
419.15359	1.3
443.24173	7.2
444.24933	1.8
457.25858	2.1
458.26276	1.6
459.27417	2.5
474.17313	3.7
475.27039	100.0
476.27466	20.5
479.72253	1.1
490.26016	1.5
528.21918	1.6
560.24835	33.3
561.25122	8.5
561.34082	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	559.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27263	1.1
57.03447	3.2
59.01393	2.2
71.72781	2.2
79.05515	1.0
85.06590	5.3
87.04514	2.0
97.06594	7.5
109.02957	1.0
109.06593	2.3
109.27966	1.0
111.04537	20.0
111.08171	10.1
112.04903	1.6
121.06638	0.9
123.04532	1.5
123.08163	8.8
124.08539	1.0
134.93633	1.0
139.07707	1.5
141.09315	1.2
149.06071	1.4
164.08434	1.4
165.09180	2.6
167.07169	2.5
191.07227	1.1
191.10757	3.4
191.14445	1.3
193.08699	4.5
193.12398	5.6
203.07153	1.5
207.06464	1.6
208.07394	2.9
209.08209	6.9
217.12396	1.1
219.06624	3.5
221.08211	13.4
222.08687	2.9
233.08276	4.7
234.08980	1.8
235.09738	14.8
235.13417	4.0
236.10361	3.0
247.09761	3.1
261.11359	1.7
261.18600	2.9
265.10681	1.0
273.11661	1.2
277.14426	1.1
279.12378	100.0
280.12665	9.2
302.11508	1.9
303.12387	3.2
303.16083	6.7
305.13861	1.0
305.17453	1.6
317.13986	2.2
317.17587	2.0
327.19565	2.3
336.15668	1.1
343.15497	1.8
343.22702	5.2
347.18689	2.2
357.16986	1.5
371.18683	18.3
372.19049	2.8
375.18155	12.1
376.18637	3.5
385.24075	2.9
391.44711	1.1
429.22824	89.4
430.23178	14.2
443.24246	1.7
445.25970	7.0
446.26276	1.7
461.15781	1.1
513.32275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15020	0.1
51.66407	0.1
54.78226	0.1
57.31538	0.1
61.98831	100.0
62.98526	0.3
63.99273	0.2
71.73107	0.2
76.14902	0.1
78.95924	0.4
80.85892	0.2
80.91689	0.3
85.07030	0.1
87.04572	0.1
90.11797	0.1
90.32571	0.1
99.00893	0.2
125.02482	0.3
125.06122	0.3
129.58325	0.1
152.99702	0.2
191.05730	0.2
220.03844	0.2
253.10750	0.2
255.23181	1.3
256.23724	0.4
265.14536	0.5
289.22043	0.2
293.14182	0.2
314.64313	0.1
459.27655	0.2
475.27008	0.6
480.30798	1.2
481.31540	0.3
482.31924	0.2
483.32034	0.4
557.32153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57785	0.1
57.03450	10.5
58.03761	0.2
58.49141	0.1
59.01381	1.7
60.56478	0.2
61.98810	0.7
63.02394	0.8
65.00331	1.4
69.03478	0.2
71.01390	1.1
71.71745	0.2
73.02933	0.5
75.00857	0.2
75.97033	0.1
76.55513	0.1
81.03467	2.0
83.01395	4.3
85.02956	0.7
87.00877	0.4
89.02467	0.7
91.41920	0.1
93.03458	0.4
95.05068	0.3
97.02950	0.7
99.04491	0.2
101.02464	1.0
101.06101	0.2
105.03489	0.3
107.01406	1.9
109.02972	0.5
113.02443	0.4
119.03522	0.2
121.02969	2.0
122.03424	0.2
123.00903	0.3
123.04545	1.7
123.08166	0.2
124.01698	1.3
125.02466	100.0
125.06042	1.7
126.02798	3.9
131.03535	0.2
135.00865	0.2
135.04538	0.3
137.02469	0.4
139.04041	1.6
143.03482	0.3
149.02464	8.0
150.02809	0.2
150.99165	0.3
151.00392	5.2
151.04034	0.5
152.01097	0.5
161.02429	0.2
161.04550	0.2
162.92029	0.1
163.04054	0.4
163.06140	0.3
164.01175	0.2
165.01962	0.3
166.02803	0.2
167.03525	10.6
168.03854	0.6
169.01456	0.5
178.99890	3.5
179.03484	1.7
180.00198	0.3
180.03891	0.2
191.03539	1.2
191.05403	0.2
192.00677	0.2
193.13477	0.1
200.04921	0.3
203.03496	0.8
204.04277	1.8
205.04774	0.2
209.04562	3.9
209.08046	0.2
210.04904	0.2
215.07103	0.8
217.04988	0.3
217.08734	0.2
218.05917	0.2
227.05652	0.6
233.08192	31.4
234.08531	2.8
243.06503	0.3
251.05534	0.3
251.09279	1.3
253.07216	0.2
269.06778	0.4
271.02625	0.1
271.05850	0.2
271.08386	0.5
275.09341	0.4
300.02692	0.3
313.09335	1.6
353.06738	0.4
353.12357	0.2
355.10553	0.3
369.06207	0.6
379.08411	0.3
395.08093	0.4
397.09320	2.3
398.09851	0.3
413.08743	0.3
421.15164	0.2
433.13519	18.7
434.13910	2.6
457.13818	0.2
468.62698	0.2
475.14560	7.5
476.14774	1.1
541.10925	0.2
541.19214	5.3
542.19458	0.8
559.20746	22.4
560.21045	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.5
58.03780	0.3
59.01383	1.1
61.98836	3.3
63.02406	0.7
65.00324	0.5
68.77746	0.1
69.03455	0.2
71.01390	0.5
71.18266	0.4
71.18626	0.3
73.02972	0.2
74.30334	0.2
81.03465	1.9
83.01395	5.5
93.03447	0.2
94.24829	0.2
95.05076	0.3
97.02956	0.7
99.04531	4.9
101.02457	1.7
102.29605	0.1
104.00623	0.1
105.03474	0.3
107.01425	1.2
109.02977	0.2
110.69474	0.1
111.04572	0.2
111.64282	0.1
113.02538	0.2
121.02953	0.7
123.04541	0.7
123.08181	0.2
124.01766	0.2
125.02465	100.0
125.06037	1.4
126.02803	3.8
137.02457	0.3
139.04036	1.7
143.03526	0.3
149.02464	10.5
150.02776	0.6
151.00404	1.8
151.03995	0.3
161.04579	0.4
161.82388	0.2
163.04062	0.3
166.02783	0.2
167.03519	4.0
168.03848	0.1
169.01447	0.3
171.10207	0.1
173.02440	0.4
179.03493	0.8
191.03500	0.7
203.03539	0.4
204.04247	0.8
207.10237	0.4
233.08189	24.9
234.08563	2.0
251.09253	9.1
252.09584	0.7
275.09210	1.7
287.07837	1.4
293.10352	0.3
305.08548	0.8
317.10291	0.2
329.08817	1.1
338.67584	0.2
369.11920	0.3
395.13400	0.2
395.70258	0.2
413.14560	10.3
414.15045	1.1
431.12009	2.3
432.12247	0.2
455.15549	7.1
456.16129	0.9
495.18723	2.9
496.19049	0.5
539.17627	1.4
540.17401	0.3
557.18823	10.6
558.19165	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	554.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.65565	0.3
69.61757	0.5
69.62155	1.3
69.62490	0.2
75.16283	0.3
95.12534	0.2
96.93326	0.2
98.20615	0.3
115.04972	0.2
117.70107	0.2
117.77143	0.2
144.39772	0.2
257.80295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
61.98835	100.0
67.01894	0.6
69.02272	0.5
70.99712	1.7
71.01360	0.5
85.06621	1.6
87.04546	1.2
93.03477	1.6
94.04377	0.5
96.96068	0.7
100.20007	0.5
107.28230	0.7
107.66837	0.6
111.04580	1.7
121.37167	0.5
123.08230	0.5
125.66941	0.5
133.02998	2.1
134.03351	0.6
137.02448	0.6
145.03078	0.7
164.03084	0.6
165.09236	1.6
173.04521	0.9
177.01920	1.1
293.17484	0.8
320.68982	0.6
382.21411	0.9
395.24600	0.8
493.24350	1.3
556.25781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49877	0.6
57.03445	1.2
59.01380	1.2
61.98835	100.0
73.96864	0.6
85.06615	3.3
87.04551	1.0
93.03465	1.0
109.02968	0.7
111.04552	1.9
123.08224	0.5
133.03000	1.5
135.08188	0.7
146.03522	0.5
165.09268	1.9
173.04674	1.0
189.03357	0.5
191.05707	0.6
193.08771	1.4
205.12469	0.8
229.75848	0.7
253.10712	0.6
291.16199	0.9
351.07898	0.6
417.22992	1.7
493.24240	0.9
556.26611	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	553.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01019	0.5
69.03466	0.9
69.41619	2.0
69.42046	1.6
71.69450	0.3
73.02948	0.5
81.03461	1.6
83.05030	3.6
85.02946	0.4
87.00882	0.7
93.03474	7.6
99.04532	1.6
107.05012	0.5
109.02971	0.5
111.00929	0.4
111.04537	14.0
112.04890	0.7
113.00543	0.3
113.02483	0.9
115.96822	0.4
121.90292	0.4
127.04021	0.5
133.03035	0.4
134.03754	1.8
135.04547	15.4
136.04849	1.1
137.02478	1.9
143.03505	0.7
155.03528	10.8
156.03851	0.7
161.02501	1.0
162.28571	0.4
168.01445	0.3
173.04497	2.1
174.34370	0.4
179.03531	9.4
180.03935	1.0
191.05598	1.4
199.04205	8.3
199.07607	0.8
200.04416	0.5
217.05238	7.7
259.06308	1.4
274.14569	0.4
287.05762	5.1
288.06006	0.5
320.69553	0.3
327.08868	0.9
329.10767	0.4
355.08545	0.8
361.07330	1.3
372.09717	1.2
373.09494	51.7
374.09848	5.1
390.11050	0.4
391.10553	20.8
392.10953	2.7
454.19608	0.4
531.97522	0.4
553.13678	100.0
554.14124	16.2
554.22882	0.7
564.21240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.6
59.01378	10.4
61.98841	2.9
63.96218	1.9
69.64992	3.8
71.01398	3.3
72.99296	1.9
73.02935	1.6
74.77768	0.4
74.99090	0.8
75.00867	1.0
82.87547	0.4
83.01393	0.7
85.02943	1.8
87.00930	0.4
89.02455	3.6
91.83070	0.5
93.03472	1.3
97.20837	0.4
99.92596	4.9
101.02441	1.6
108.02193	1.8
111.00958	0.6
113.02461	2.4
116.22689	0.5
116.92877	55.5
117.01932	1.5
117.92890	3.9
117.97312	1.4
119.03520	0.7
119.05061	1.1
121.02966	6.6
121.06535	0.6
122.03785	3.6
123.04565	3.9
124.01701	0.9
132.02197	1.3
133.02972	3.1
134.03714	1.5
135.04559	5.8
135.98373	4.1
136.01651	0.9
136.04308	0.8
136.05318	13.9
137.02380	0.7
137.06128	2.5
145.02939	0.6
147.04492	0.9
149.02466	13.6
149.04520	1.3
149.06039	2.4
150.03242	51.0
151.04028	13.6
151.07719	2.3
152.04359	0.8
161.02470	0.6
161.04607	0.9
162.03114	0.6
163.03969	1.0
164.04810	4.2
165.05583	32.2
166.05899	2.2
177.05600	0.6
179.05548	0.7
180.04324	2.8
181.05086	6.9
191.05652	1.2
191.26451	0.5
194.05811	0.8
195.06633	41.0
196.06975	2.3
199.04117	0.6
219.06693	1.0
241.08847	0.7
244.78453	0.5
255.13354	0.6
259.02432	0.5
259.09467	0.8
259.11969	1.3
261.03922	1.1
267.40311	0.6
269.08209	1.0
272.03302	1.1
279.06570	0.6
283.09784	5.1
284.10361	1.2
300.10056	0.7
301.03519	1.7
311.09268	9.5
312.09622	0.8
316.09711	0.9
325.10709	1.2
343.11871	65.7
344.12210	8.7
367.11908	3.1
373.09232	1.1
385.13037	1.6
391.13992	100.0
392.14316	13.4
415.14099	1.6
433.15173	1.5
435.09219	0.7
463.08743	1.4
493.22919	2.2
553.12872	2.7
553.19653	9.2
554.13043	0.9
554.20807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34052	0.4
69.03456	1.4
69.68359	2.3
69.68768	1.0
71.01335	0.4
72.17567	0.4
81.03459	1.4
83.05032	3.7
84.44397	0.5
85.02960	0.6
87.00887	0.7
93.03470	9.1
98.20605	0.8
99.04512	1.1
106.62260	0.4
109.02967	0.8
111.00910	3.3
111.04537	14.6
112.04844	0.7
113.02461	0.6
117.78943	0.4
118.63426	0.4
126.20058	0.4
127.04012	1.0
128.03549	1.3
133.02934	0.5
134.03737	1.7
135.04555	16.9
136.04907	1.1
137.02542	1.9
137.03403	0.4
143.03520	0.7
153.92274	0.4
155.03532	12.2
156.03836	0.6
161.02467	1.4
167.03441	0.7
173.04637	2.0
173.05888	0.4
179.02063	0.5
179.03523	8.3
180.03963	0.6
181.03152	0.4
191.05692	2.7
199.04211	8.2
200.04567	0.5
205.03169	0.9
211.07306	0.5
217.05244	7.0
222.33011	0.4
259.06366	1.7
287.05817	5.9
288.06326	0.5
327.08939	1.3
329.07111	0.5
355.08447	1.2
361.07434	1.9
372.09967	1.9
373.09500	49.4
374.09982	4.3
379.08295	0.7
386.38364	0.4
390.11066	0.7
391.10577	20.9
392.10928	2.0
421.89511	0.4
553.13751	100.0
554.14215	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	552.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34256	0.1
59.01379	1.0
61.01827	0.2
61.98833	100.0
62.98525	0.2
64.25431	0.1
69.46275	1.4
72.99313	0.2
88.17903	0.1
88.98807	0.3
89.02427	0.2
93.03527	0.1
117.44133	0.1
144.80312	0.1
189.95576	0.1
191.05669	0.7
220.42125	0.2
338.77209	0.1
403.16745	0.1
432.94757	0.1
439.54355	0.1
553.26868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	18.6
62.68954	0.7
71.01369	0.8
71.05195	1.4
75.42178	0.7
77.72758	0.8
88.98814	100.0
89.02444	0.6
89.99187	1.0
101.02415	0.8
107.01398	1.0
108.02187	0.7
112.58979	0.7
116.92876	4.8
121.02952	1.4
151.00386	6.8
163.00401	2.0
178.99873	3.1
189.78336	0.7
226.02643	1.3
227.03403	0.8
228.04051	0.7
243.02997	5.2
244.03453	0.9
254.02084	1.3
255.02968	12.9
256.03448	1.7
265.64331	0.8
271.02466	32.1
272.02835	3.8
300.02753	70.5
301.03448	30.8
302.03839	2.1
463.08807	99.3
464.09125	13.7
479.11304	0.8
553.26837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01387	1.2
60.99314	1.0
61.98835	100.0
62.98553	0.2
65.99352	0.1
67.13530	0.1
71.01400	1.0
71.72801	0.2
72.99309	1.0
73.02947	0.2
75.00919	0.2
78.95900	0.2
79.95743	0.2
80.96542	0.4
83.01421	0.2
83.05096	0.2
85.02961	0.5
88.98822	6.5
89.02449	1.4
89.99176	0.6
90.02822	0.2
90.99242	0.2
91.00355	0.2
93.03483	0.3
96.96040	0.2
97.42677	0.1
101.02456	0.8
109.03008	0.2
113.02470	0.2
116.92918	0.3
125.02493	0.5
131.03513	0.2
135.04558	0.2
137.02464	0.8
167.03532	0.1
171.10347	0.4
173.04668	0.2
189.95433	0.1
191.05643	1.8
209.11862	0.3
211.13374	0.2
217.09598	0.1
227.03558	0.6
228.04228	0.8
242.02289	0.2
255.02991	4.6
256.03745	6.4
257.04480	2.7
267.03033	0.4
269.04675	0.4
271.02634	0.3
275.82254	0.1
283.02618	0.7
283.06140	0.2
285.04300	0.2
293.04620	0.2
309.07703	0.6
326.08228	0.2
327.08823	0.6
328.09280	0.2
329.23352	0.9
330.23773	0.5
353.23648	0.2
385.49304	0.1
401.08569	0.2
414.15192	0.2
419.09821	1.0
420.10300	0.2
427.17010	0.3
471.13159	0.3
489.14044	13.5
490.14426	2.8
490.21219	0.2
552.18262	0.2
553.27551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97212	0.1
59.01377	1.3
60.99318	0.1
61.98832	100.0
63.66347	0.1
69.50811	0.3
69.51214	1.2
71.01392	0.9
73.02949	0.2
75.96308	0.1
85.02969	0.2
88.98824	0.8
89.02456	0.9
90.02801	0.1
96.95994	0.2
99.00890	0.2
101.02474	0.5
111.04535	0.1
113.02480	0.4
116.92886	0.8
119.03519	0.2
125.02496	0.3
161.04623	0.2
163.03999	0.2
165.12894	0.7
166.13232	0.4
179.05696	0.2
183.13930	2.7
184.14252	1.0
191.05658	0.3
209.08301	0.2
227.12891	3.8
228.13269	2.1
229.13588	0.2
255.03114	0.2
259.09842	0.5
271.22372	0.1
300.02701	0.2
327.08853	0.4
328.09274	0.1
329.09070	0.2
359.20807	0.2
373.20450	0.2
396.39108	0.1
429.04886	0.1
523.19556	0.2
551.26886	0.9
552.27332	0.8
553.26788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
57.30919	0.2
58.40977	0.2
59.01377	1.9
61.98832	62.5
63.36314	0.2
65.00316	0.4
69.36423	1.4
69.36848	1.6
71.01392	1.1
78.95903	0.6
79.95735	0.4
80.96516	0.3
83.01393	0.3
83.05026	0.3
85.02965	0.5
88.98813	0.3
89.02478	0.5
93.03484	0.4
100.35200	0.3
101.02451	0.5
108.22608	0.3
109.02965	0.8
115.72824	0.2
125.02450	0.8
135.04488	0.3
137.02448	0.6
151.00331	1.2
151.04001	0.3
152.99594	1.4
165.01932	0.4
177.01871	0.5
178.99820	0.3
189.01949	0.5
191.05667	0.9
207.10353	0.5
209.11826	2.1
211.13277	0.3
217.01418	0.4
229.01363	0.4
230.02232	0.6
231.02829	0.3
243.02989	0.9
244.03810	0.9
256.03729	0.7
256.08441	0.4
258.01630	3.9
259.02142	0.4
271.02448	2.2
272.03159	2.3
283.02466	12.0
283.13339	0.5
284.03027	2.2
291.15933	0.8
295.06079	0.4
299.09171	0.3
304.02383	0.3
312.06400	0.5
315.15912	0.4
323.09167	0.5
326.07834	0.5
327.08740	100.0
328.09076	11.3
329.11234	0.4
329.17575	0.4
341.06876	0.4
373.20148	0.9
391.21155	1.2
465.22910	0.5
489.14023	11.2
490.14255	1.4
509.23959	0.4
552.25421	0.7
552.71497	0.4
553.26410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76904	0.5
51.14993	0.4
57.03436	1.9
58.00587	1.1
59.01382	18.5
61.98823	1.9
69.03455	0.5
69.41062	1.7
69.41486	3.3
71.01387	13.7
72.99320	0.8
73.02950	1.5
75.00894	0.8
83.01379	0.6
85.02966	3.3
87.00889	0.8
89.02460	13.4
93.03447	0.8
95.01402	1.2
101.02457	9.6
111.08170	1.8
113.02460	7.6
116.92881	0.6
119.03529	5.2
131.03517	0.9
143.03543	1.0
149.04607	0.7
161.04578	2.9
165.12883	23.5
166.13223	1.0
179.05659	3.3
183.13930	58.9
184.14276	3.0
197.15506	1.8
207.13960	4.8
209.11835	2.7
218.71237	0.5
219.14012	0.9
225.14955	0.8
227.12903	100.0
228.13243	6.6
231.13828	0.7
233.11961	0.7
237.14957	1.8
241.14522	0.9
243.02986	1.4
249.15050	1.0
251.12898	10.1
252.13261	1.0
257.04517	0.9
263.12830	3.4
265.14441	0.7
269.13968	3.5
275.13040	0.6
281.13986	3.2
293.13995	5.2
299.15005	2.1
300.87582	0.5
311.15030	1.1
323.15057	0.7
329.16000	4.7
331.50504	0.4
335.15036	0.7
353.16040	0.7
359.21072	0.8
371.17001	1.1
389.18179	21.6
390.18658	2.9
462.10010	0.5
551.30676	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	551.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87356	1.0
59.01377	2.2
60.99306	8.4
61.98835	100.0
71.02720	1.1
71.73629	1.9
78.30570	1.1
88.98818	62.1
111.13670	1.2
128.25537	1.1
188.67563	1.1
309.11292	2.3
310.36923	1.2
439.17538	2.0
551.30005	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	551.3737
Annotation	Lantadene A
Peak:m/z	Relative Intensity
54.65548	0.5
62.64025	0.5
70.40915	2.5
74.46770	0.6
85.34090	0.6
104.35434	0.5
105.07110	1.7
111.04539	7.9
119.08669	0.9
121.10247	17.3
122.10622	1.0
123.04559	1.1
123.08210	1.2
132.88036	0.5
138.03226	0.6
149.09483	0.6
151.04056	6.5
153.05750	0.6
166.02728	2.3
166.52879	0.6
177.01968	2.3
178.02675	0.5
179.10770	0.9
192.07919	1.8
193.08646	1.3
193.12357	0.7
203.07195	3.4
204.07597	0.7
205.05110	1.8
207.06651	3.4
207.10226	2.2
208.07428	12.8
209.08038	1.6
219.06589	2.9
220.07283	2.7
221.08186	59.1
222.08650	5.2
233.15407	0.8
235.09793	2.8
252.06273	0.8
261.11353	1.0
262.08221	0.7
263.09116	1.0
264.10001	1.6
265.10727	5.1
277.10880	2.1
277.14432	10.9
278.14322	0.5
283.09845	1.1
289.14450	6.7
299.12903	1.7
317.17590	2.5
333.17017	3.4
341.17511	6.1
342.18390	1.3
343.19250	2.9
361.20178	4.5
367.19189	2.2
411.25360	1.5
415.24808	3.1
429.26682	3.2
551.37360	100.0
552.37671	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	551.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54672	0.4
54.75057	0.3
59.01362	0.5
61.98824	1.1
62.22318	0.4
69.97025	2.2
71.01416	0.6
83.05029	0.6
85.02983	0.4
87.56387	0.4
93.03465	2.7
95.38278	0.4
101.02438	0.4
106.04300	0.5
111.00922	0.4
111.04512	0.7
113.02493	0.4
114.93451	0.8
117.03496	0.5
119.05053	0.8
121.02977	8.4
121.13277	0.4
122.03779	3.6
124.01682	0.5
132.02219	0.6
133.03004	1.9
134.03760	47.6
135.04192	1.2
136.01691	0.8
137.02464	6.9
139.04022	2.0
145.02966	0.6
147.04547	0.5
149.02467	12.8
149.04898	0.5
149.06102	14.0
150.03250	29.4
150.06462	1.0
151.03644	1.4
155.03539	0.5
163.04027	0.9
164.04784	2.6
165.05588	36.2
166.05974	2.2
167.03506	0.4
175.04027	0.5
178.02740	27.0
179.03107	1.9
180.04279	1.8
191.07208	0.4
193.05075	100.0
194.05405	5.6
195.06638	25.0
196.06935	1.5
199.04199	1.3
205.06575	0.4
207.54994	0.4
217.05302	0.4
221.06094	0.7
233.06152	0.9
234.06853	0.9
235.05974	0.8
239.07173	2.2
249.05533	0.6
250.06407	2.2
251.06967	0.7
253.08667	1.1
254.09485	0.6
265.08868	0.4
267.06686	1.5
282.08954	7.2
283.09311	0.7
297.07898	0.5
297.11240	0.9
301.03354	0.5
326.08206	0.7
341.10315	32.0
342.10632	3.4
371.11307	0.7
372.09903	0.8
387.07193	0.8
388.67685	0.4
389.12399	28.8
390.12921	3.1
551.11255	4.6
552.13495	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	551.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.2
59.01375	7.0
60.99294	0.6
61.98830	5.7
65.00329	1.0
68.99810	1.0
69.03445	0.5
69.45638	2.9
69.46046	1.0
71.01384	5.1
72.99315	0.5
73.02950	1.0
75.00875	1.6
81.03433	0.4
83.01403	0.8
85.02954	1.5
87.00865	0.5
88.98816	5.0
89.02455	2.1
93.03484	0.4
95.01397	1.4
97.02922	0.5
99.00885	5.2
99.03951	0.5
99.04533	3.8
101.02454	4.2
110.00112	9.0
111.00911	3.8
113.02468	1.2
115.05563	0.6
115.92068	0.4
116.92904	0.5
119.03451	0.5
119.05058	0.9
121.02982	1.9
123.00894	1.6
123.04516	0.5
125.02475	1.4
129.01962	0.8
129.03545	0.4
131.03545	0.8
131.05055	0.9
136.98831	1.2
137.99602	3.7
139.00400	5.4
139.05545	4.6
140.01082	0.5
141.01939	0.6
141.03537	0.4
141.99045	0.5
143.05023	2.6
145.02974	10.9
146.03314	0.5
147.04564	0.5
149.04562	0.6
153.01982	0.6
153.12900	1.1
155.05022	0.4
158.03723	0.6
159.04512	1.4
161.04596	2.5
161.05801	0.4
162.64371	0.5
163.59286	0.4
164.98210	0.5
165.02042	0.4
165.12840	0.6
165.99104	7.8
166.99864	4.4
171.04520	1.6
173.02434	2.0
173.06079	1.3
179.10771	0.6
183.04491	2.3
183.13867	0.7
187.03960	3.2
191.05688	0.7
195.04515	0.6
197.11777	2.0
199.04013	14.9
200.04395	1.6
201.05597	2.9
203.03493	0.5
213.05699	0.9
215.03519	7.1
216.04059	0.8
217.05095	0.7
220.20161	0.5
227.03490	10.3
227.05670	0.6
227.12885	0.8
228.03934	1.3
229.04907	0.7
241.05151	0.5
243.00444	0.5
243.00977	0.3
243.02969	15.5
244.03741	76.0
245.04533	100.0
246.04878	9.1
248.03270	0.8
256.03714	1.0
257.04477	2.0
287.05762	0.6
389.08630	2.7
405.08588	0.4
406.08627	0.5
407.09830	87.1
408.10120	10.7
449.10883	42.9
450.11316	4.9
463.17319	0.5
489.14029	5.8
490.14371	0.8
507.27963	2.3
508.27893	0.6
551.14026	21.9
551.23346	1.7
551.31232	1.0
552.14392	4.1
552.23627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.8
59.01379	2.4
61.98823	1.2
65.01272	0.9
68.99815	1.8
69.71248	7.2
70.10492	1.0
75.00850	1.6
76.13172	1.0
79.05557	1.4
80.96499	1.4
87.00864	1.1
98.19935	2.0
101.03967	3.4
101.10898	1.0
107.05055	1.8
119.05023	5.7
121.01724	0.9
121.02940	3.8
129.49118	1.1
145.02975	100.0
146.03294	6.2
147.04530	25.0
161.06053	1.1
173.02444	30.5
174.02866	2.0
191.05643	7.8
199.03957	1.4
204.07906	3.0
209.09778	2.0
209.11810	2.5
211.11365	1.6
212.04787	1.5
220.71060	1.0
221.08205	1.0
239.07207	1.5
241.04912	1.5
242.05858	1.4
253.04900	1.6
253.08669	1.9
255.06421	2.2
265.04947	1.6
267.06628	8.9
267.09283	1.7
275.16501	3.9
279.10339	1.2
280.10901	1.6
307.09799	2.8
308.10501	1.3
309.08029	2.1
309.11316	7.4
310.11923	2.4
317.14175	2.0
317.17587	18.1
318.18015	2.1
321.11337	2.3
323.12869	1.5
323.16565	2.4
351.12305	2.4
352.13000	1.2
353.13925	1.5
377.17569	4.6
405.17279	5.9
406.17844	1.2
419.22485	2.2
429.17255	1.1
463.21265	67.2
464.21616	15.0
475.24673	2.2
489.26727	2.3
517.26001	16.7
518.26501	3.5
531.27386	3.4
532.28357	2.0
549.28497	82.0
550.28845	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	549.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.0
63.39463	2.1
71.72774	2.1
81.03481	2.7
81.75307	1.8
85.02955	20.2
85.06596	15.8
87.04498	4.6
97.52280	2.0
107.67401	2.3
109.31714	2.0
111.04539	24.5
111.08163	6.6
113.06089	8.8
123.00914	3.1
137.06082	3.9
155.07191	22.6
155.14424	7.3
163.07637	4.4
165.05432	2.0
169.08838	2.3
181.05077	8.3
183.06624	4.9
191.07135	8.2
194.05859	5.8
198.05373	3.4
201.12868	2.8
243.13852	4.6
261.14835	2.7
263.12756	4.4
265.14490	2.2
271.16901	2.2
305.17239	2.0
313.18124	5.7
331.19131	40.5
332.19598	6.7
333.17084	100.0
334.17407	12.5
345.69354	2.0
347.18729	9.6
349.20218	8.4
359.18542	3.4
367.75928	2.0
375.18152	41.8
376.18530	9.5
377.19812	16.8
389.19745	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	549.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18266	1.3
57.03442	3.1
60.77921	1.4
67.50011	1.3
68.99813	2.3
71.27897	2.9
79.05542	2.5
83.05048	1.3
101.03954	2.7
107.05107	2.0
119.05032	7.3
121.02983	8.2
131.05046	1.6
143.05112	1.6
145.02972	100.0
146.03296	3.6
147.04543	42.0
148.04890	2.1
171.08002	1.9
173.02454	50.5
174.02913	3.8
209.11908	3.1
212.04726	1.5
226.06291	2.7
231.06573	1.4
241.05069	1.6
242.05663	1.8
242.09509	3.2
253.08580	2.4
254.05638	1.5
267.06647	6.9
281.11798	1.5
309.11243	11.7
310.11902	3.4
317.17545	5.0
323.12900	4.5
323.16580	1.5
324.13403	1.7
339.16003	16.3
340.16174	2.0
347.18744	11.5
367.15643	7.5
371.14893	6.6
375.18085	5.5
377.17599	4.1
378.18365	3.8
379.19064	6.0
417.46060	1.3
419.22025	1.6
435.21725	1.6
459.21896	1.9
463.21252	46.6
464.21500	10.5
517.25745	3.7
531.27637	2.6
549.28412	57.5
550.28821	12.5
564.27142	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	549.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92757	11.6
77.24232	1.6
84.27221	1.6
89.88393	1.8
98.19962	3.2
119.05109	2.3
121.02936	4.0
145.02963	18.7
145.06635	1.7
185.06158	2.7
191.05672	3.1
192.99388	1.8
221.08228	5.3
231.03027	4.1
253.05017	2.0
265.05048	5.2
266.05804	2.9
267.06653	27.6
268.06973	3.6
279.06415	2.1
281.08188	2.2
309.07703	33.1
310.08289	7.8
323.09213	2.8
327.12280	3.5
335.67145	1.9
405.17117	100.0
406.17511	14.8
429.26135	2.3
448.18863	3.5
449.23404	6.5
463.21408	5.2
475.90714	1.8
517.25934	87.2
518.26215	19.4
549.28613	51.6
550.29095	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	549.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21133	0.3
57.03447	3.0
57.05276	0.3
59.01372	0.8
67.16904	0.3
68.99810	0.8
69.03468	0.4
69.57306	0.5
69.57710	2.4
79.05549	1.4
83.05019	0.6
85.67265	0.3
101.03985	3.8
107.05035	1.7
109.06590	1.7
119.05052	6.5
120.05376	0.5
121.02973	3.0
121.06621	0.4
131.05013	0.6
131.35110	0.3
133.06645	0.3
135.04582	0.4
139.07678	0.3
143.05046	1.0
145.02977	100.0
146.03326	5.2
147.04546	20.3
148.04872	1.0
149.06096	0.5
150.02794	0.3
157.06549	0.5
158.61740	0.3
159.08185	0.5
161.06082	0.6
163.07704	0.5
163.11310	0.4
173.02458	29.2
174.02893	2.3
175.07657	0.6
183.08084	0.3
185.06158	0.4
185.09760	0.5
187.07683	0.4
199.04065	0.8
201.05655	0.3
201.09096	0.4
203.07205	0.4
204.07927	1.4
205.08563	0.5
207.10223	0.3
209.09741	2.2
209.11862	2.2
211.11307	0.7
212.04810	1.2
213.05511	0.7
225.05605	0.6
227.10799	0.5
228.04274	0.7
232.03691	0.3
237.42163	0.3
239.06998	0.7
240.04022	0.4
241.05032	0.5
242.05824	0.6
253.05052	1.1
253.08676	1.2
254.09256	0.4
255.06610	1.0
255.10475	0.4
257.15530	0.5
265.05054	0.5
265.08667	0.6
265.12411	0.4
267.06528	2.0
275.16556	4.7
279.10257	1.0
279.13922	0.4
280.11032	1.4
281.08292	0.3
281.11646	0.9
293.08200	0.3
295.09814	0.7
299.16507	0.6
307.09888	2.4
308.10510	1.4
309.11319	5.8
310.11945	1.0
311.12903	0.6
311.16516	0.6
313.14493	0.4
315.19983	0.5
317.17603	17.7
318.17926	2.0
321.11411	1.5
321.14740	0.5
323.12952	0.7
323.16534	7.9
324.16827	1.1
339.16006	0.7
341.14120	0.4
347.18622	1.2
351.12228	1.8
352.13037	0.5
353.14084	0.5
355.15643	1.6
361.17596	0.3
371.14755	0.5
375.17767	0.4
377.17337	3.4
377.21350	1.6
378.18063	1.1
379.19077	0.6
401.20926	0.5
405.17224	1.3
406.17792	0.3
407.18735	1.4
408.19446	0.5
419.22772	2.0
423.17990	0.7
435.21667	1.0
447.18317	0.4
448.18851	1.0
462.20380	0.5
463.21268	68.0
464.21600	12.7
475.24902	0.7
489.27255	2.1
515.28168	0.4
517.25836	2.7
518.26337	0.5
519.27502	0.5
531.27588	3.3
532.28015	1.4
549.28473	62.2
550.28809	14.3
564.27484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65207	1.3
55.01872	1.8
57.03446	2.8
58.00575	1.8
59.01381	79.4
61.98831	25.3
62.90174	1.0
65.00284	1.2
69.03453	4.7
71.01386	68.3
71.72107	1.4
71.72527	2.6
72.01743	1.9
72.99316	3.4
73.02962	9.1
75.00886	1.9
78.95911	3.6
79.95742	3.0
81.03457	1.9
83.01395	6.5
85.02964	17.8
87.00898	8.8
88.98820	7.1
89.02454	83.2
89.93616	1.2
90.02805	2.4
93.03474	3.3
95.01399	4.2
96.96024	100.0
97.02965	9.2
97.56937	1.1
99.00897	5.0
99.92591	3.4
101.02456	51.9
102.02842	1.5
109.02958	6.5
111.00898	3.2
113.02469	25.5
115.92092	16.1
116.92114	1.4
116.92872	5.3
119.03519	38.9
119.04986	2.6
121.02968	7.1
123.04519	4.1
125.02467	35.2
131.03529	8.7
133.02930	2.2
135.04547	2.1
137.02461	2.8
139.03990	2.3
143.03523	12.5
149.04579	6.3
151.00375	4.0
151.04051	2.4
159.03018	1.8
161.02454	2.9
161.04610	14.3
165.09225	52.6
166.09473	2.4
167.03615	1.7
173.04622	2.3
177.01958	6.4
177.03278	1.2
178.02461	1.3
179.03435	1.8
179.05626	31.5
189.02037	6.7
190.02737	2.4
191.05623	6.3
194.98288	3.8
203.05597	1.4
209.08028	1.4
210.97029	2.0
216.00845	1.0
217.01329	4.8
219.06660	2.1
221.04599	0.8
221.06664	18.8
243.02902	1.5
255.02965	6.1
256.03677	11.5
257.04575	3.6
261.03732	1.8
263.07718	8.9
269.59085	1.3
271.02737	1.2
271.06006	1.7
281.04407	1.5
288.02997	1.9
289.07031	1.7
297.07770	1.9
299.01828	2.7
299.05304	1.2
299.61658	1.2
300.02682	1.6
305.08810	2.6
312.02567	1.2
323.09839	55.8
324.10205	5.8
325.10660	1.5
327.08640	5.3
327.21774	5.6
329.06345	1.7
341.06741	15.5
342.06870	2.9
402.47815	1.1
417.24927	5.9
421.11893	2.5
451.10342	17.1
452.10648	2.7
469.05838	1.4
489.13953	11.3
490.14087	1.5
517.14612	7.3
518.15027	1.5
549.16504	10.1
549.29358	14.9
550.16797	1.3
550.29303	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	549.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54867	0.2
57.03461	0.3
59.01380	100.0
60.01714	1.4
61.98832	0.6
69.50498	0.5
69.50918	1.3
72.31788	0.2
72.44591	0.2
87.00888	0.3
89.53918	0.2
101.06123	0.7
111.04533	0.3
125.06068	0.2
138.67175	0.2
145.03021	0.2
151.60716	0.2
165.01959	0.2
221.08226	0.4
253.10811	0.4
283.09778	0.2
335.18793	0.2
430.28070	0.2
431.20908	0.2
445.26193	0.5
549.29645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33207	0.7
56.34371	0.7
57.03447	1.3
57.45525	0.7
59.01389	6.1
59.73337	0.9
60.99302	1.6
61.98835	8.2
69.54166	1.6
69.54572	6.0
71.01385	2.3
71.43899	0.9
77.32189	0.7
85.02970	1.2
88.98811	10.4
89.02448	3.5
93.03465	1.4
98.20609	1.7
101.02464	2.5
107.41247	1.0
109.02987	1.1
114.89710	0.8
115.92084	5.0
116.92899	1.7
123.04552	1.3
125.02457	2.3
137.02397	1.1
151.00313	1.1
151.04063	0.8
152.64749	1.1
175.03998	1.6
177.01906	1.7
189.01888	1.1
191.05573	2.2
192.05872	1.0
199.03993	3.2
213.05600	2.3
215.03517	1.7
227.03438	2.8
228.04306	4.6
229.04594	0.9
242.02238	2.1
243.02983	56.0
244.03371	4.9
253.05075	4.1
255.02980	3.5
256.03726	12.7
257.04507	25.0
258.04834	2.3
263.12875	1.2
268.03635	0.9
271.02316	1.1
288.02728	13.5
289.03177	1.0
291.06635	1.0
309.07541	4.2
323.09326	0.9
326.07977	1.9
327.08749	100.0
327.21826	3.2
328.09061	12.0
341.06818	1.4
342.06940	1.7
343.07132	3.1
369.09723	3.0
387.23792	3.4
405.08282	12.0
406.08621	2.2
447.09250	7.9
487.12769	1.1
489.14130	5.4
513.65802	0.9
549.12512	3.4
549.29443	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	549.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05083	0.5
53.96983	0.5
57.03450	57.4
58.03797	1.4
59.01384	16.2
61.63927	0.7
61.98833	15.6
69.03461	12.4
71.01389	4.6
71.72321	1.1
72.99328	0.5
73.02969	1.6
75.00861	0.6
77.17878	0.6
78.95914	0.8
79.01920	1.7
81.03475	2.9
83.01414	1.6
85.02964	2.2
88.98859	0.8
89.02457	1.0
95.01406	1.9
97.02964	8.7
99.00890	0.8
99.04534	43.3
100.04886	1.5
101.02460	15.3
101.03084	1.0
107.01398	10.6
108.02191	26.1
109.02979	2.1
113.02489	1.4
118.92794	0.6
121.02970	1.1
122.07129	0.6
123.00915	2.5
123.04468	0.5
125.02467	59.0
126.02810	1.7
131.03508	0.5
135.00903	42.6
136.01271	1.6
137.02448	2.9
137.27319	0.5
143.03502	1.8
144.95103	0.6
149.02472	4.8
150.03189	0.7
151.00398	4.9
152.01178	75.3
153.01492	3.9
161.02489	1.0
161.04562	1.7
163.04033	0.6
167.57640	0.5
171.10252	0.6
177.01924	1.4
177.34914	0.5
189.01990	0.7
190.02269	0.8
191.05643	1.0
192.07936	30.4
193.08255	2.3
197.06042	1.0
207.10283	25.5
208.10654	1.8
217.01369	1.5
218.01778	1.2
236.84941	0.6
242.05844	6.3
243.06618	100.0
244.06975	10.0
261.44553	0.5
269.08075	0.7
285.07767	1.1
300.12357	0.6
345.29947	1.4
369.15536	10.6
370.15866	1.4
387.10852	14.6
388.11136	2.0
405.11880	9.8
406.12125	1.4
411.16757	3.6
412.16785	0.7
413.08063	0.6
417.24686	0.6
447.12930	2.6
451.19962	0.6
489.34479	6.7
507.35251	2.5
513.19659	1.9
549.15808	1.1
549.29535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18133	0.9
57.03434	1.2
58.17887	0.7
59.01380	9.8
61.98835	8.1
70.55607	2.5
70.56009	1.4
71.01399	5.0
71.45952	0.8
72.47084	0.7
73.02927	0.7
75.00876	1.0
82.13447	0.7
83.01404	0.9
83.05065	1.2
85.02967	1.7
89.02462	6.0
96.96049	1.5
99.92567	0.9
101.02450	2.4
109.02983	2.0
113.02458	1.5
115.92104	4.1
116.92880	1.5
119.03564	0.9
119.05082	0.8
125.02438	2.8
131.03511	1.0
135.04500	0.8
137.02399	1.3
149.04616	1.0
150.03270	0.8
151.04027	1.5
161.02454	1.9
163.04033	0.9
165.01935	1.5
165.09163	0.7
177.01912	1.0
187.07777	0.9
189.01945	2.2
190.02351	1.6
191.05617	3.1
195.06720	0.8
209.08182	2.9
213.05562	3.8
217.01413	1.4
218.01703	0.9
225.05666	0.9
225.07788	1.1
227.03462	3.8
228.04317	6.2
241.04961	1.3
243.03038	1.7
243.06505	1.6
253.05103	7.1
255.03041	6.6
256.03748	18.9
257.04556	35.6
258.04843	2.6
269.04480	1.1
271.06134	1.7
286.63882	0.7
288.02765	18.0
289.03152	1.1
289.07297	1.2
291.06494	1.1
301.03442	0.9
309.07675	6.0
310.08118	1.0
323.09332	2.2
326.08051	2.1
327.08749	100.0
327.21710	2.3
328.09027	14.1
331.39151	0.9
341.06662	1.4
341.10364	1.5
342.06918	2.9
343.07449	4.4
358.98758	0.9
369.09787	8.5
370.10229	1.3
387.13324	0.9
387.23828	1.3
417.24554	1.1
472.24796	0.8
489.14035	6.9
490.14105	1.1
505.26764	0.9
549.17090	3.1
549.29431	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	549.0883
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
52.41064	0.6
59.01373	1.6
59.30813	0.5
61.95959	0.5
61.98817	1.4
63.02400	0.6
64.26894	0.6
65.00329	1.4
70.18401	2.3
83.01398	1.0
89.02473	0.5
96.96018	1.9
98.95612	0.8
107.01398	2.9
108.02187	1.1
109.02972	1.5
115.92104	0.6
119.62893	0.6
121.02957	1.6
125.02437	1.2
134.70419	0.6
135.00894	1.0
148.01697	2.0
151.00392	10.8
152.01033	0.8
159.04489	0.5
160.36922	0.5
163.00388	2.8
164.01152	0.8
170.82968	0.7
178.99875	5.3
203.03564	0.7
211.04013	1.2
213.95459	0.6
226.02733	0.8
227.03506	3.7
229.05122	0.7
243.02972	10.7
244.03479	1.1
245.04446	1.1
254.02135	1.8
255.02972	25.8
256.03271	2.2
271.02466	55.8
272.02908	5.7
273.03967	1.0
283.02444	1.5
299.02051	1.3
300.02753	100.0
301.03448	45.2
302.03949	3.3
304.03058	0.6
463.08905	3.9
505.09848	76.6
506.10175	13.7
549.28790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12048	0.2
57.03451	2.2
59.01382	1.6
61.98827	1.4
67.79033	0.2
69.45559	1.9
71.01385	0.8
73.02951	0.3
80.63542	0.2
81.35630	0.2
85.02953	0.2
88.98788	0.2
89.02455	0.6
99.04530	0.6
101.02437	0.8
109.02962	0.5
113.02457	0.3
115.92113	1.4
116.92883	0.4
123.04527	0.2
125.02451	0.8
133.02931	0.3
137.02423	0.2
143.05064	0.3
151.75887	0.2
155.05040	1.0
157.02962	1.2
161.04584	0.3
161.05940	0.2
163.03999	0.2
171.04521	1.0
173.02431	0.3
175.03987	0.9
177.01903	0.2
187.03954	0.6
189.01999	0.2
190.02353	0.3
191.05589	0.2
199.04018	4.2
200.04349	0.3
201.01945	0.6
215.03474	2.8
216.00713	0.3
216.03943	0.2
217.00888	0.3
242.02179	3.3
243.02975	100.0
244.03314	8.4
258.72772	0.2
259.02881	0.2
289.07193	0.4
323.94266	0.2
387.07324	0.3
387.12991	0.2
405.08273	21.9
406.08575	2.6
421.11771	0.5
447.09308	13.1
448.09634	2.1
487.06226	0.3
487.12524	3.1
488.12714	0.5
549.12195	5.0
549.29047	0.9
550.12488	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.9
61.98817	4.8
67.05501	1.2
68.99824	9.6
69.59446	8.7
71.23487	1.3
85.06609	3.1
87.04530	1.8
95.05038	2.3
97.74151	1.2
98.19904	2.4
107.05088	1.1
109.02943	1.9
111.04536	100.0
112.04858	5.8
113.06100	19.7
114.06468	1.8
115.49467	1.1
115.64573	1.1
122.03889	1.2
123.08168	2.2
150.79909	1.5
151.04024	2.3
158.21907	1.1
163.07454	1.1
165.05563	2.6
167.07137	1.8
175.11281	1.3
177.09251	1.5
179.07155	4.3
191.07193	2.0
203.07140	1.8
205.08534	1.5
207.06648	2.4
208.07475	1.5
219.06557	2.8
219.10263	2.0
219.13606	1.2
221.08221	6.9
222.08685	4.4
233.08176	2.5
233.11908	2.4
234.12224	1.2
242.02177	4.6
243.05983	1.1
245.15408	1.2
247.09740	3.2
255.02959	4.0
256.03720	2.4
259.10056	1.3
261.11288	1.6
261.14923	1.8
263.12643	1.9
268.03711	1.4
275.12827	2.9
282.01819	4.4
283.02475	6.0
283.05923	1.1
289.14484	12.5
290.14978	4.0
291.15921	2.6
295.02454	10.3
296.03088	1.7
298.08466	2.6
307.02469	5.2
308.03058	1.5
311.09189	3.8
312.09897	2.3
317.13965	1.9
317.17349	1.3
319.06116	1.3
326.07999	12.4
327.08450	1.8
331.15433	3.7
331.19083	2.1
339.08734	44.0
340.09375	14.2
351.08743	55.9
352.09161	7.3
358.17685	2.4
359.14801	1.3
359.18649	6.0
361.16312	1.5
365.10132	2.3
375.12622	5.0
375.18094	39.4
376.18539	7.5
377.14008	10.4
378.14502	1.6
379.11737	3.5
387.21631	4.1
393.13339	2.0
394.14218	69.5
395.14584	11.2
401.19333	1.9
403.17715	16.7
404.17654	1.7
405.13403	2.0
415.21173	2.9
419.14993	20.7
420.15347	3.6
428.25610	2.5
429.22595	7.7
430.23145	2.2
435.14194	3.0
444.24863	2.7
457.22226	1.8
461.19852	13.1
462.20062	1.6
462.25745	17.1
463.17578	3.8
463.25909	2.8
471.23795	4.8
472.24332	1.9
478.19974	53.0
479.20303	12.2
547.28766	21.7
548.28302	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	547.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	9.1
59.01374	1.4
61.98837	0.6
65.03959	1.5
67.01894	1.2
67.05533	1.2
68.99815	1.8
69.03454	0.7
71.05051	0.5
79.05543	1.0
81.03464	0.6
83.05034	2.5
85.02966	0.7
85.06603	2.7
87.00873	1.6
87.04526	4.0
93.03468	0.7
95.05035	2.1
97.06598	0.5
98.20644	0.9
107.05042	1.0
109.02969	7.0
109.06617	1.1
110.03321	0.7
111.04532	100.0
112.04888	3.1
113.06097	1.0
121.02953	0.9
121.06588	1.7
123.04545	1.7
123.08175	1.5
125.06075	0.9
128.01248	0.5
133.06607	1.0
135.04559	1.0
135.08168	1.2
137.02495	0.5
137.06119	0.6
137.09698	0.6
147.04541	0.8
147.08189	0.8
148.05301	0.5
149.06104	2.4
149.09782	1.1
151.11328	0.7
153.09251	1.1
154.31802	0.4
159.04494	0.7
161.06122	0.8
161.09702	0.6
163.04005	0.9
163.07649	1.6
163.11353	0.4
165.05597	3.0
167.07104	0.5
173.06085	0.6
173.09787	0.5
174.06870	1.0
175.03925	0.9
175.07654	1.2
175.11308	1.6
177.05644	0.9
178.06369	0.8
179.07126	1.4
181.05025	0.6
181.08733	0.7
185.09772	0.6
187.07631	1.4
189.05576	1.6
189.09230	1.2
190.06285	0.7
191.07193	3.2
191.10799	1.7
192.07854	1.1
193.05045	1.3
193.08719	0.6
195.06439	0.6
198.05290	0.9
201.09171	0.9
203.07172	0.8
203.10773	1.4
204.11310	0.5
205.05074	1.2
205.08673	2.9
206.05840	0.8
207.06673	0.7
215.07164	1.3
215.10857	1.0
217.08763	2.3
217.12331	1.1
218.06003	0.6
219.06589	2.4
219.10265	0.7
220.07344	0.9
221.08162	1.1
227.10767	0.9
229.08727	1.4
231.06619	2.5
231.10222	1.8
231.13904	0.7
232.07220	1.0
232.10953	0.8
233.08208	7.1
233.11859	1.5
234.08585	1.0
235.09700	1.2
239.10849	0.6
243.10158	0.7
243.14038	0.6
245.08118	3.8
245.11836	3.8
246.08777	0.8
246.12315	0.6
247.09753	1.4
247.13374	0.8
249.11220	1.4
255.10324	0.5
257.11813	3.1
258.09076	0.5
258.12265	0.6
259.09851	0.8
259.13333	1.6
261.07602	0.9
261.11325	1.2
271.13263	0.6
272.14053	0.4
273.11374	1.0
273.14911	1.5
274.12103	1.4
275.09229	1.5
275.12814	2.4
276.09995	0.6
276.13486	0.8
277.10828	1.3
285.11438	0.7
285.14746	1.0
287.12875	2.0
287.15918	0.5
289.10956	2.9
289.14120	0.8
290.11273	0.6
291.08331	0.5
291.12491	0.9
299.12885	1.4
299.16373	0.9
300.13611	0.6
301.10898	1.0
301.14331	0.5
301.18024	0.6
303.12347	6.0
304.12933	1.6
305.13794	1.0
315.12576	0.8
315.15985	3.0
317.10516	0.8
317.13980	6.5
317.17395	0.7
318.14090	0.5
327.16071	1.4
329.14017	1.0
329.17587	1.7
331.11771	1.1
331.15430	0.7
336.12247	1.0
341.20972	0.6
343.15448	1.7
343.19113	1.1
345.16968	0.7
357.16843	1.0
357.20740	0.8
359.14627	0.7
360.19296	0.8
361.16568	1.3
367.19183	1.9
371.14700	1.0
373.16599	7.1
374.16840	1.0
375.18134	0.5
385.16315	1.9
385.20462	6.6
386.20892	1.1
387.14316	1.1
387.18680	0.7
399.21902	1.0
401.19681	3.0
403.21481	3.3
411.17862	0.7
414.16919	1.4
415.21231	1.0
417.23026	0.7
427.21323	1.3
429.19141	53.0
430.19455	9.1
441.26913	3.1
442.27054	0.6
443.20535	2.2
444.21335	2.8
445.22272	0.6
455.24420	1.7
461.21799	92.0
462.22058	14.6
483.23978	0.5
485.25623	2.2
497.28815	4.9
513.28558	36.6
514.28815	8.4
515.26453	12.1
515.32330	0.3
516.26727	3.1
547.29077	36.7
548.29431	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67366	1.6
57.03455	15.8
59.01401	9.2
61.98833	40.0
65.05196	1.4
66.91872	1.4
68.99825	8.8
69.03455	1.8
71.05022	1.6
71.72346	3.1
73.02958	2.1
79.05518	3.4
82.27974	1.5
83.01382	2.1
83.05033	7.3
84.00896	2.2
85.02935	1.7
85.06605	15.8
87.04519	32.7
93.03487	2.7
95.05039	11.4
97.02950	3.1
97.06606	5.2
101.06104	11.8
107.05029	4.6
109.02956	3.1
109.06592	5.0
109.23647	2.0
111.04536	100.0
111.08183	2.0
112.04877	3.2
113.06093	13.1
115.04021	14.4
116.92838	4.7
120.05844	1.6
121.06602	5.4
123.04526	5.5
123.08186	3.7
127.07667	3.1
129.05595	14.0
135.04515	4.2
135.08144	3.7
136.05301	3.5
137.02449	2.6
137.09731	18.8
139.04112	2.2
139.07634	6.4
147.04463	2.4
149.02464	1.9
150.03311	1.9
163.04005	4.2
163.07625	5.0
165.05666	4.1
165.09256	2.1
167.07227	2.0
177.05582	3.5
177.09174	2.8
178.06335	5.5
179.07167	5.7
179.10764	11.1
181.08727	2.8
191.07167	1.9
191.10812	2.3
193.04990	2.4
193.08661	5.2
199.09773	24.4
205.08734	5.5
207.06587	4.1
207.10162	2.1
208.07808	1.7
209.08223	2.3
209.11942	2.3
219.10390	2.4
219.13878	4.8
221.08165	9.1
225.07715	2.2
233.08159	4.9
233.15457	2.4
235.09746	4.2
235.13426	21.0
237.14995	4.2
245.15523	2.6
247.09805	4.5
263.09177	2.2
267.16037	7.8
273.11328	2.3
275.09415	2.3
275.12943	4.0
277.14496	2.4
279.08624	3.3
279.12405	4.7
289.14450	5.6
291.12344	3.2
293.13904	3.6
301.10660	2.0
303.12289	2.3
303.15857	2.1
305.13870	1.9
309.13489	1.9
312.08322	3.3
317.13855	6.3
321.20816	10.4
327.16208	2.2
331.15378	2.3
347.14917	2.5
347.18625	5.8
359.14828	2.3
359.18585	3.7
359.22437	2.1
371.22412	2.9
375.18127	8.8
376.18753	2.0
387.21851	4.0
403.17325	23.6
403.21533	3.8
404.17960	3.6
415.20758	3.8
429.23029	6.8
430.23331	2.7
443.24557	2.7
457.22235	2.0
462.25854	2.1
471.23877	3.6
475.26675	3.6
487.27136	2.6
503.30316	2.8
547.29010	74.5
548.29297	19.3
549.07281	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	547.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10543	0.8
57.03403	10.1
58.68501	0.8
59.01385	2.1
61.98835	7.1
64.87609	0.9
68.99823	4.0
69.03477	0.9
69.43451	7.9
71.05051	1.0
79.05535	1.3
81.03481	1.3
83.05054	2.7
84.95120	1.5
85.06609	3.5
87.04518	6.1
92.49030	0.8
95.05029	3.1
97.06639	1.6
106.47351	0.8
107.05024	1.4
109.02988	2.9
109.06593	3.0
111.04537	91.3
112.04895	5.8
113.06123	5.2
121.06622	1.9
122.03657	1.0
123.08195	2.8
130.73116	0.9
135.04544	1.4
135.08170	0.9
139.04066	0.8
139.07628	1.9
141.05579	0.9
147.04601	0.8
149.06073	1.1
149.09695	1.3
151.04080	1.2
151.07614	1.0
151.43929	1.0
153.09253	1.3
161.09718	1.2
163.04057	1.5
163.07646	1.2
163.11331	3.5
165.05611	3.4
167.07166	5.1
167.10840	1.7
172.56508	1.1
175.07619	1.1
175.11279	2.6
177.09261	1.4
177.12987	1.0
179.07146	8.6
189.12961	1.0
193.08806	1.6
197.93622	0.9
201.09317	2.0
203.07187	1.7
204.07877	1.3
205.05046	1.2
205.08751	2.3
209.11871	2.4
211.09871	2.7
215.10907	1.2
216.66281	0.9
217.08740	3.4
217.12276	1.5
219.06691	2.6
219.10316	2.7
219.13882	2.2
221.08165	3.0
229.08751	1.1
231.06648	6.1
231.10217	1.8
232.07298	2.4
233.08185	9.3
233.11800	1.5
235.09592	1.1
243.13980	1.6
245.08194	3.9
247.09816	1.2
247.13345	2.1
259.13339	2.5
274.08105	1.2
275.09360	3.2
275.12927	2.6
276.09988	1.8
276.13251	1.8
277.10934	1.0
277.14523	1.9
279.15720	1.1
287.12952	5.6
287.16568	2.5
289.14493	3.1
290.14835	1.7
301.14462	2.0
303.12476	15.7
303.16037	2.7
304.12717	1.8
304.16315	1.1
305.17319	1.2
315.16122	1.8
317.13953	1.6
319.15442	1.9
329.17538	1.6
331.19110	1.1
332.15695	1.8
333.16910	1.7
337.16626	1.1
341.17798	1.4
343.15500	2.2
345.17114	2.6
357.17194	3.4
357.21008	1.3
359.18613	1.6
371.14975	2.8
373.16595	10.3
374.17023	1.1
376.18588	3.6
377.19717	1.3
385.16550	3.7
385.20737	1.7
387.17990	8.1
387.22162	1.2
388.17871	1.2
388.22250	3.2
401.19727	3.4
403.17661	3.2
415.21185	7.4
416.21790	1.4
417.13715	1.3
429.18698	4.7
441.23178	2.1
446.26147	1.1
455.24472	4.4
461.21780	3.6
462.25873	15.4
463.26236	2.8
470.26926	1.0
483.23978	3.2
497.29639	12.8
498.29282	1.9
513.20648	2.2
513.28571	73.6
514.28918	14.2
515.26483	36.7
516.27014	6.5
547.29199	100.0
548.29541	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
59.01368	4.2
61.98829	4.1
71.17742	1.3
71.72162	1.6
71.72559	1.3
85.54935	1.4
86.40223	1.5
87.04498	2.3
111.04539	6.1
126.52332	1.2
135.04640	1.3
162.87105	1.3
217.11980	1.3
221.08115	1.7
221.62511	1.4
235.09796	2.0
242.02264	4.3
242.06125	1.4
255.02982	3.4
256.03662	1.9
267.02896	1.8
268.03674	2.0
271.02448	1.4
282.01678	6.5
283.02475	6.5
295.02518	16.7
296.03195	4.7
306.05307	2.1
307.02539	13.7
309.03912	2.1
311.09283	5.5
319.06201	5.6
326.07880	5.7
337.07028	1.9
339.04602	1.5
339.08737	48.9
340.09424	12.1
351.08734	96.1
352.09155	11.1
353.10251	5.9
361.10400	1.8
365.09976	2.9
372.08453	3.7
375.12427	12.9
376.12906	2.8
377.13913	20.5
378.14301	3.3
379.11874	3.1
393.13467	23.9
394.14215	100.0
395.14676	10.5
407.15027	10.1
409.12961	1.9
417.23080	1.9
419.14911	2.5
423.14386	5.1
435.14392	21.3
436.14780	3.1
461.19702	14.5
462.19644	2.5
463.18365	2.6
463.24783	9.0
478.19949	73.8
479.20245	13.6
510.19553	1.5
528.52448	1.6
547.25922	13.8
548.27771	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	547.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15197	0.7
57.03454	4.9
58.13585	0.6
60.68359	0.7
61.98613	0.5
61.98831	5.8
67.05506	0.9
68.99817	7.4
69.90771	0.6
78.42569	0.6
83.05043	0.9
84.59258	0.6
85.06601	1.4
87.04539	1.5
98.19848	2.3
100.49575	0.6
101.06020	0.6
109.03042	0.7
109.06528	0.8
109.18105	0.7
111.04539	69.0
112.04876	5.4
113.06108	14.8
114.06442	2.4
119.98641	0.6
121.06593	1.1
121.86556	0.8
123.04571	1.3
123.08176	2.3
126.31848	0.8
135.08217	0.6
137.06122	0.6
139.04045	1.4
139.07613	0.7
143.65805	0.6
151.04013	1.4
151.07611	0.7
165.05577	1.9
167.07146	0.9
171.08153	0.7
177.09248	1.2
179.07164	2.2
179.10779	0.7
181.97244	0.6
189.48347	0.6
193.05110	0.7
193.08659	0.8
195.06720	0.7
203.07173	0.8
205.05121	1.0
205.08704	1.4
207.06628	1.9
208.07315	0.8
209.08267	0.9
211.03990	0.7
212.06747	0.7
219.06627	2.2
219.10202	1.4
221.08153	6.1
222.08728	4.3
223.09373	1.0
229.01335	0.9
230.17018	0.9
233.08200	1.5
233.11761	1.8
242.02229	7.5
245.11903	0.8
245.15498	1.6
247.09775	1.7
251.12920	1.0
252.13167	0.8
255.03021	4.9
256.03696	2.2
258.01709	1.3
261.15057	1.1
262.15436	1.2
263.12979	1.2
267.02997	2.7
268.03757	1.8
269.04401	0.9
270.01685	1.5
271.02402	2.7
275.12903	1.5
276.13495	0.7
281.04404	0.8
282.01721	7.0
283.02518	10.9
283.05762	1.1
284.03049	2.5
289.14371	6.9
290.14832	2.2
291.12335	1.2
291.15805	1.3
292.16296	1.5
295.02499	15.6
296.03110	4.1
297.04416	1.1
298.08417	5.0
304.16278	1.0
306.05511	1.0
307.02478	8.6
308.03107	2.5
309.03964	1.3
310.04871	0.7
311.09256	7.6
312.09988	4.3
317.13992	1.7
317.17487	0.9
318.14462	0.8
319.06158	2.2
319.15906	0.8
320.06705	0.8
320.16031	0.9
321.04126	1.1
321.07608	1.5
324.09860	0.8
326.08005	19.4
327.08563	3.7
331.15448	1.6
331.19159	1.0
333.07742	1.0
335.05716	0.9
336.06274	0.8
339.08746	60.2
340.09369	17.5
341.10007	1.8
345.13452	0.8
351.08746	83.8
352.09082	9.6
353.10257	2.2
358.17938	1.4
359.14819	0.8
359.18683	3.1
361.10739	1.8
361.16382	0.9
362.11511	1.3
363.08838	1.7
364.09842	1.0
365.10095	3.6
372.08466	1.3
375.12518	6.3
375.18143	21.5
376.13474	1.6
376.18521	6.4
377.13974	19.2
378.14279	2.7
379.11832	5.6
380.12589	1.1
387.21738	3.1
393.13483	2.6
394.14233	100.0
395.14590	14.1
401.14032	1.5
403.12430	0.9
403.17694	7.2
404.17667	1.0
405.13583	2.0
415.21344	1.6
417.13730	0.9
419.14993	32.4
420.15329	5.1
423.14493	0.9
426.13071	1.4
428.26172	1.4
429.22687	5.2
430.23184	2.3
435.14410	4.6
436.14731	1.0
444.24893	1.2
445.16467	0.9
457.22305	1.6
459.18011	1.1
461.19751	19.5
461.25098	0.7
461.46588	0.8
462.19952	3.4
462.25739	19.3
463.17697	6.1
463.26114	2.4
464.18097	1.0
471.24072	1.3
478.19965	81.6
479.20276	14.2
510.18854	1.9
547.27679	21.2
548.28479	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	547.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.6
61.98823	13.0
70.28450	1.7
70.28791	5.6
71.01421	2.9
78.46964	1.2
78.95889	1.2
85.02973	1.8
87.00881	1.7
89.02473	1.5
93.03481	4.4
101.02476	2.4
108.85528	1.4
109.02957	11.2
111.04538	1.5
113.02467	1.6
116.63908	1.1
119.04962	1.3
120.97727	1.7
122.03780	3.5
125.02444	1.4
135.04510	2.1
137.02422	2.1
150.03244	8.3
151.03976	1.5
161.02519	2.0
173.02380	2.7
173.04631	1.8
177.01945	7.5
189.00253	2.8
189.01953	46.4
189.37770	1.3
190.02554	4.7
191.03490	3.1
191.05644	2.1
193.54971	1.1
209.11844	4.0
211.13361	1.6
217.01424	100.0
218.01772	6.4
219.03061	2.6
227.13007	2.1
229.05095	2.3
231.03131	1.8
238.08250	1.3
239.08928	1.4
253.09285	6.2
260.67249	1.2
281.04620	1.2
285.04062	3.0
293.20895	1.9
297.03973	2.8
299.05496	2.5
311.22281	14.1
312.22729	2.6
325.03616	1.8
326.04388	3.1
327.05106	38.2
328.05463	5.0
339.05289	1.9
340.05716	3.7
341.06631	2.8
407.07660	3.5
437.12451	5.1
438.12711	2.1
442.83472	1.4
449.08722	8.7
449.14255	2.1
450.09302	5.4
451.10071	1.4
547.15686	1.5
547.27313	5.7
548.27155	2.1
560.51007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41451	0.3
55.01862	0.3
57.03453	1.5
59.01380	3.9
61.98829	4.6
68.40726	0.3
70.73539	0.9
71.01388	3.9
71.94785	0.3
72.99327	0.3
73.02951	1.2
75.00882	1.8
75.81723	0.3
78.95909	0.3
81.03505	0.3
83.01417	0.6
85.02954	1.1
85.55582	0.3
87.00897	0.6
88.98831	0.8
89.02448	2.4
89.03918	0.3
93.03445	0.9
95.01426	0.4
95.05037	1.5
96.96017	1.6
97.02917	0.6
99.00891	0.7
99.04507	0.8
101.02451	2.4
103.05511	0.4
105.03475	0.4
108.02191	0.4
109.02965	11.1
110.03306	0.4
113.02460	1.1
114.93410	0.3
115.05509	0.3
116.92877	0.9
117.03499	0.7
119.03564	0.6
119.05037	1.0
121.02994	1.6
122.03736	0.7
123.04540	10.7
124.04848	0.7
125.02457	4.5
125.06139	0.5
126.02794	0.9
127.02864	0.5
128.03572	0.4
131.03496	0.5
133.02982	2.5
134.03780	0.4
135.00856	0.3
135.04509	0.6
137.02437	1.8
137.09712	0.5
139.04021	1.9
140.04317	0.3
145.02980	1.4
146.04659	0.6
147.04556	3.4
148.01706	0.5
149.02435	1.2
149.04547	0.9
150.03204	1.0
151.00403	0.6
151.04031	5.4
159.04506	1.5
161.02470	2.6
161.04593	1.8
161.05847	0.4
162.03192	0.6
163.03993	0.9
164.01076	0.3
165.01938	1.1
167.03410	0.6
173.04605	0.5
175.03990	1.2
175.07626	0.6
176.01157	1.1
176.04791	4.6
177.01950	18.1
177.09196	0.6
178.02231	1.1
178.99895	0.3
179.03470	0.5
179.05627	0.3
179.10788	5.2
187.03993	1.4
187.07651	0.8
189.01945	41.0
190.02666	8.2
191.03482	7.5
191.05589	2.7
192.03737	0.4
199.04057	0.4
201.01939	0.9
202.06392	0.3
203.01781	0.5
203.03526	5.1
205.08690	4.6
213.05577	0.5
214.02744	0.4
216.00642	8.0
217.01418	26.6
218.01875	2.4
219.00848	0.6
219.02982	10.6
219.10271	0.4
220.03297	0.7
223.09758	19.6
224.10124	0.9
225.05571	0.7
227.03522	0.4
229.01477	0.8
229.08685	0.7
231.02991	8.1
231.10303	0.7
232.03607	1.1
233.04521	1.4
241.05035	0.9
242.02147	0.5
243.02895	0.5
243.06787	0.3
247.09721	2.8
265.10757	1.1
269.04520	4.1
270.04681	0.5
271.02396	0.3
275.09174	0.4
281.04550	0.5
287.05576	0.4
289.07141	1.1
290.07297	0.4
295.73648	0.3
297.07541	0.7
313.07141	0.3
323.05475	1.6
341.06668	100.0
342.06976	11.2
343.17633	0.4
349.19855	0.3
385.15106	5.9
386.15179	0.8
415.23300	1.6
419.11450	3.4
420.11768	0.6
449.14743	0.7
529.14886	0.6
547.15387	7.8
547.27869	2.5
548.16040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01381	5.6
59.23144	0.5
60.11452	0.4
61.98832	10.2
69.45370	0.4
71.01388	2.3
71.71890	0.8
72.99313	1.4
73.02940	0.7
83.01405	1.1
83.16763	0.5
85.02954	0.9
87.00887	5.1
87.13477	0.4
88.00412	0.8
88.62634	0.5
88.98831	1.0
89.02454	2.4
89.03980	1.2
91.01887	0.7
93.03478	2.2
94.37160	0.5
95.01492	0.5
95.05045	1.9
96.96015	2.0
99.00856	0.5
101.02453	1.3
103.05512	0.5
106.91797	0.6
107.01398	1.0
108.02183	1.0
109.02970	21.9
110.03282	1.0
111.04536	0.5
113.02507	0.8
116.92903	0.5
117.03496	1.0
119.05040	1.6
121.02959	2.2
122.03738	0.9
123.04535	12.3
125.02464	5.8
133.02983	5.8
134.03664	0.5
135.00912	0.7
135.04523	0.8
137.02448	2.7
145.02962	2.2
146.03758	1.5
147.04567	3.2
148.01646	0.7
149.02443	1.3
149.04657	0.7
150.03244	2.3
151.00407	1.8
151.04039	5.7
151.78247	0.4
158.03752	0.8
159.04527	2.1
161.02495	5.7
161.06039	0.7
162.03267	1.3
163.00383	0.7
163.04022	1.5
165.01970	0.7
167.03505	3.2
172.05327	1.7
173.04547	0.8
173.05957	0.7
174.03273	1.2
175.04013	1.8
175.07687	2.0
176.01195	2.5
176.04822	4.3
177.01945	39.1
177.09192	0.8
178.02312	2.0
178.99847	0.9
179.03549	0.6
187.04007	1.3
187.07674	1.9
189.01949	72.7
190.02638	10.5
191.03510	11.9
191.05608	6.3
192.03879	1.1
192.05904	0.9
193.06619	1.3
199.04012	0.6
200.04811	0.6
201.01964	3.7
201.09215	2.0
202.02591	0.8
203.03531	7.6
203.07210	0.8
204.04112	0.5
205.08698	5.0
212.04900	0.6
214.02710	0.7
215.03561	1.7
215.98511	1.1
216.00639	29.3
217.01421	61.5
218.01881	4.7
219.02997	20.0
219.04617	0.3
220.03342	1.6
222.03621	0.6
225.55252	0.5
229.01439	7.7
229.04971	1.0
229.08632	2.4
230.02080	1.0
231.02985	9.9
231.10309	1.4
232.03528	1.5
233.04559	2.0
234.60271	0.6
241.08727	1.5
242.02209	3.8
243.02827	1.7
253.08681	0.6
255.02911	0.7
255.06891	1.6
256.03415	0.5
259.09875	0.5
267.82431	0.5
269.00851	0.7
269.04431	0.7
272.03116	0.5
275.09274	0.9
281.04565	1.2
285.04089	1.3
286.04047	0.7
287.05643	2.1
289.07285	1.1
297.07504	0.7
299.05624	2.8
301.03433	0.7
307.06067	0.9
309.04181	1.2
323.05618	1.7
325.07153	15.7
326.07541	1.1
327.05054	6.7
329.06528	2.1
341.06671	100.0
342.07028	11.6
342.15405	0.5
367.11978	1.1
385.12955	2.8
395.11511	0.8
401.10297	4.3
419.11356	47.7
420.11584	7.3
437.12491	4.2
438.12814	0.6
449.08893	0.9
450.08868	0.8
529.14905	7.0
530.15448	1.1
547.15759	8.7
547.28693	1.4
548.16229	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	547.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41451	0.3
55.01862	0.3
57.03453	1.5
59.01380	3.9
61.98829	4.6
68.40726	0.3
70.73539	0.9
71.01388	3.9
71.94785	0.3
72.99327	0.3
73.02951	1.2
75.00882	1.8
75.81723	0.3
78.95909	0.3
81.03505	0.3
83.01417	0.6
85.02954	1.1
85.55582	0.3
87.00897	0.6
88.98831	0.8
89.02448	2.4
89.03918	0.3
93.03445	0.9
95.01426	0.4
95.05037	1.5
96.96017	1.6
97.02917	0.6
99.00891	0.7
99.04507	0.8
101.02451	2.4
103.05511	0.4
105.03475	0.4
108.02191	0.4
109.02965	11.1
110.03306	0.4
113.02460	1.1
114.93410	0.3
115.05509	0.3
116.92877	0.9
117.03499	0.7
119.03564	0.6
119.05037	1.0
121.02994	1.6
122.03736	0.7
123.04540	10.7
124.04848	0.7
125.02457	4.5
125.06139	0.5
126.02794	0.9
127.02864	0.5
128.03572	0.4
131.03496	0.5
133.02982	2.5
134.03780	0.4
135.00856	0.3
135.04509	0.6
137.02437	1.8
137.09712	0.5
139.04021	1.9
140.04317	0.3
145.02980	1.4
146.04659	0.6
147.04556	3.4
148.01706	0.5
149.02435	1.2
149.04547	0.9
150.03204	1.0
151.00403	0.6
151.04031	5.4
159.04506	1.5
161.02470	2.6
161.04593	1.8
161.05847	0.4
162.03192	0.6
163.03993	0.9
164.01076	0.3
165.01938	1.1
167.03410	0.6
173.04605	0.5
175.03990	1.2
175.07626	0.6
176.01157	1.1
176.04791	4.6
177.01950	18.1
177.09196	0.6
178.02231	1.1
178.99895	0.3
179.03470	0.5
179.05627	0.3
179.10788	5.2
187.03993	1.4
187.07651	0.8
189.01945	41.0
190.02666	8.2
191.03482	7.5
191.05589	2.7
192.03737	0.4
199.04057	0.4
201.01939	0.9
202.06392	0.3
203.01781	0.5
203.03526	5.1
205.08690	4.6
213.05577	0.5
214.02744	0.4
216.00642	8.0
217.01418	26.6
218.01875	2.4
219.00848	0.6
219.02982	10.6
219.10271	0.4
220.03297	0.7
223.09758	19.6
224.10124	0.9
225.05571	0.7
227.03522	0.4
229.01477	0.8
229.08685	0.7
231.02991	8.1
231.10303	0.7
232.03607	1.1
233.04521	1.4
241.05035	0.9
242.02147	0.5
243.02895	0.5
243.06787	0.3
247.09721	2.8
265.10757	1.1
269.04520	4.1
270.04681	0.5
271.02396	0.3
275.09174	0.4
281.04550	0.5
287.05576	0.4
289.07141	1.1
290.07297	0.4
295.73648	0.3
297.07541	0.7
313.07141	0.3
323.05475	1.6
341.06668	100.0
342.06976	11.2
343.17633	0.4
349.19855	0.3
385.15106	5.9
386.15179	0.8
415.23300	1.6
419.11450	3.4
420.11768	0.6
449.14743	0.7
529.14886	0.6
547.15387	7.8
547.27869	2.5
548.16040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62378	0.3
59.01382	1.7
59.37056	0.3
61.98841	4.8
65.00336	0.3
71.01390	1.0
73.01044	0.3
83.01391	0.4
83.91359	0.3
84.95125	0.3
85.02960	0.6
87.00900	0.5
89.02469	0.7
93.03471	0.7
95.05027	0.8
100.02566	0.3
101.02456	0.5
101.34391	0.3
108.02214	0.4
109.02969	10.3
110.03316	0.4
113.02451	0.5
117.03481	0.8
119.05027	0.9
121.02988	0.7
122.03776	0.6
123.04546	9.2
125.02439	0.6
133.02968	2.2
135.00891	0.4
135.04501	0.4
137.02437	0.3
143.06877	0.3
145.02974	0.8
147.04550	3.2
149.02406	0.4
150.03215	0.9
151.00372	1.0
151.03999	3.8
151.64099	0.3
159.04523	0.7
161.02451	1.9
162.03206	0.5
163.04082	0.4
164.91174	0.3
175.04027	1.7
175.07715	0.4
176.01160	0.6
176.04791	4.7
177.01944	19.4
178.02318	1.7
187.04010	0.9
187.07715	0.8
189.01950	44.2
190.02681	8.5
191.03526	9.0
191.05536	1.1
192.03860	0.5
200.04851	0.4
201.01862	0.4
203.03505	4.8
205.08751	3.6
216.00656	7.8
217.01424	31.9
218.01926	2.8
219.03006	10.7
220.03345	0.7
229.01349	0.7
229.08704	0.6
231.02989	9.1
232.03612	1.0
233.04568	0.8
281.04483	0.6
285.04010	0.5
289.07043	0.4
299.05658	0.4
323.05627	1.4
327.05099	1.3
339.04965	0.4
341.06674	100.0
342.06982	12.8
395.11435	0.4
416.11722	0.3
419.11362	4.4
420.11707	0.9
437.12552	2.6
529.15186	0.8
547.15961	7.8
547.27814	0.7
548.16394	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	547.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66693	0.3
51.12333	0.3
56.66991	0.3
57.03449	0.7
59.01380	1.8
61.98834	2.3
69.10767	0.3
71.01382	1.9
71.71768	0.4
73.02947	0.5
81.03455	0.4
83.01405	0.9
85.02976	0.5
87.00888	0.4
89.02458	1.0
89.03987	0.5
93.03475	1.3
94.98119	1.3
95.05056	1.3
96.96015	1.5
97.03001	0.5
101.02455	1.2
103.05550	0.6
105.03448	0.4
108.02201	0.4
109.02966	10.9
110.03333	0.7
111.00854	0.3
113.02475	0.5
117.03502	0.7
119.05059	1.3
121.02983	1.0
122.03765	0.8
122.06134	0.5
123.04543	10.8
124.04883	0.7
125.02477	3.0
130.12582	0.3
133.02995	2.1
135.00946	0.4
135.04633	0.4
137.02475	2.2
139.04001	1.1
145.02948	1.5
147.04558	3.5
147.47847	0.3
149.02461	0.7
149.04550	0.4
150.03285	1.4
151.04036	5.3
152.07245	0.6
153.01958	0.4
159.04501	1.2
161.02441	2.5
161.04625	0.6
161.05972	0.4
162.03223	1.0
163.00337	0.3
163.04005	0.7
165.01933	0.4
167.03499	1.9
173.04526	0.7
175.04047	1.9
175.07582	0.4
176.01233	0.8
176.04807	4.6
176.08423	0.4
177.01950	18.8
178.02333	1.0
179.03520	0.4
179.10780	0.8
187.04065	1.4
187.07643	1.4
189.01950	42.5
190.02664	9.3
191.03508	8.8
191.05597	2.2
192.03903	0.4
201.01988	0.8
201.05658	0.3
202.06366	0.3
203.03520	4.3
203.07114	0.6
204.03926	0.7
205.05078	0.6
205.08694	3.9
209.04584	0.7
216.00627	6.5
217.01425	28.9
218.01958	3.1
219.03008	10.4
220.03316	0.8
223.09766	4.6
226.08502	2.1
229.01360	0.6
229.08760	0.5
231.02986	9.5
231.10248	0.6
232.03589	1.1
233.04590	0.9
238.40849	0.4
241.10826	1.2
245.08072	0.5
247.09735	0.5
258.01425	0.3
275.09250	0.7
281.04544	0.6
289.07239	2.2
294.45834	0.3
295.06192	0.8
323.05621	1.8
341.06668	100.0
342.06998	12.4
385.14865	1.2
403.16132	0.8
407.07932	0.3
415.23355	0.8
419.11353	1.7
427.14209	2.5
446.62100	0.5
529.15289	0.4
547.15948	7.8
547.28442	2.1
548.16437	2.0
548.27307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10699	0.2
57.03443	0.2
57.82035	0.2
57.89429	0.2
59.01375	1.5
61.98833	3.8
65.03921	0.2
66.91405	0.2
71.01391	0.7
71.18258	0.5
79.04635	0.2
83.01375	0.2
85.02975	0.4
88.98817	0.5
89.02454	0.6
89.04001	0.3
91.01886	0.3
93.03465	0.5
95.05031	0.7
96.96039	1.3
101.02485	0.4
103.05579	0.3
105.03490	0.3
108.02155	0.4
109.02963	11.1
110.03323	0.4
116.92912	0.3
117.03466	0.5
119.05040	0.9
121.02977	0.8
122.03737	0.6
123.04542	10.2
124.04894	0.4
125.02458	0.7
128.03575	0.2
133.02983	2.7
133.06485	0.3
135.00888	0.3
135.04510	0.4
137.02478	1.0
138.03311	0.2
145.02995	1.4
145.03963	0.2
147.04550	3.7
148.01697	0.3
148.05284	0.5
149.02464	0.6
149.04536	0.3
150.03247	1.5
151.00417	0.6
151.04028	4.4
152.04288	0.3
159.04530	1.3
161.02448	2.0
161.06140	0.5
162.03175	0.5
163.03996	0.6
175.03966	1.6
176.01173	0.9
176.04800	4.7
177.01944	19.1
177.09201	0.2
178.02271	1.2
187.04025	1.5
187.07626	0.8
189.01952	43.0
190.02673	9.0
191.03526	8.3
191.05557	0.9
192.03831	0.6
201.01904	0.5
203.03513	5.0
204.03853	0.6
205.05205	0.2
205.08707	4.1
209.12004	0.3
213.09114	0.2
215.03539	0.3
215.98553	0.3
216.00639	7.8
217.01424	28.8
218.01970	3.3
219.02997	11.1
220.03279	0.6
229.01430	0.5
229.08693	0.4
231.02989	8.9
232.03439	1.2
233.04485	0.9
241.55408	0.2
253.14517	0.5
255.02982	0.3
257.08307	0.4
281.04608	0.6
289.07083	0.4
297.07733	0.7
323.05597	1.5
327.05188	0.5
341.06665	100.0
342.06989	12.3
356.99335	0.3
395.11157	0.5
415.23645	0.3
419.11414	2.2
420.11526	0.4
529.15112	0.3
547.15936	6.9
547.28632	0.5
548.16132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.1
61.98830	14.7
63.97990	0.8
67.96729	0.9
68.99830	5.9
71.72303	1.7
71.72664	1.3
85.06596	2.8
87.04546	1.9
99.92577	1.2
109.06581	2.1
111.04536	83.8
112.04872	2.9
113.06107	23.7
114.06437	1.1
116.92888	3.8
117.92894	2.2
123.08192	3.9
125.06129	0.9
128.71484	0.9
131.04802	0.9
137.09639	0.9
143.45123	0.8
147.80688	1.0
151.03947	1.5
153.97710	0.9
165.05621	1.3
165.09277	1.1
179.07193	3.9
193.05017	1.0
193.08774	3.3
195.06602	2.5
196.02313	2.1
198.05489	1.4
203.10777	0.9
205.05075	1.6
207.06670	1.1
207.10223	1.0
219.06621	2.7
219.10332	1.1
220.07391	1.5
221.08188	13.6
221.11836	1.1
222.08900	3.2
233.08228	3.3
233.11752	6.0
235.09709	4.1
235.13417	2.4
236.10254	1.2
245.11902	1.0
245.15540	1.8
247.09792	1.3
249.11224	1.5
261.11270	1.9
261.15030	1.7
263.09225	4.6
263.12863	2.9
264.10001	1.5
275.13046	1.6
277.14395	1.6
289.14508	12.0
289.18094	5.5
290.15152	2.0
307.06882	0.9
317.14252	1.2
317.17844	1.0
318.09567	5.2
319.10196	1.3
319.15448	7.8
320.16022	1.2
331.15646	1.8
331.19263	4.3
332.16138	1.9
375.18137	33.5
376.18536	4.9
387.21716	6.7
394.99661	0.9
401.23730	4.3
404.13446	4.9
405.13925	1.2
427.24939	1.2
429.22833	6.9
430.23328	1.6
443.24335	3.3
444.24780	1.4
445.26059	1.9
460.15997	3.2
461.25418	100.0
462.25769	17.8
486.21704	1.2
514.20715	1.1
529.23450	1.3
543.14276	1.0
546.23230	38.0
547.23779	6.4
547.32733	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	546.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03455	4.6
58.36027	0.5
59.01382	0.5
61.98833	17.3
68.99822	14.2
69.58189	4.0
70.88116	0.4
71.05021	0.8
79.01932	0.6
81.03498	0.6
83.05024	1.6
83.56429	0.4
85.06608	2.3
87.04536	2.4
95.05058	0.7
97.02962	0.8
98.19879	0.7
107.05035	1.1
107.39170	0.5
109.02970	1.5
109.06616	1.4
111.04537	100.0
112.04889	1.8
113.06107	40.5
114.06434	0.8
116.96825	0.4
121.06629	1.1
123.04536	1.4
123.08185	5.2
135.08188	1.0
136.05252	0.6
137.02454	0.9
137.06102	0.6
139.04013	2.5
149.06059	0.8
151.04050	2.1
151.07666	0.6
152.71368	0.5
153.09198	0.5
153.97644	0.7
161.06055	0.5
163.04022	0.5
163.07668	0.6
165.05626	2.7
165.09055	0.7
166.02724	0.5
167.07153	2.1
175.11302	1.1
177.09213	1.5
179.03503	0.7
179.07147	5.3
179.10805	0.5
180.04324	1.2
182.05888	1.1
186.05290	0.5
191.07088	0.9
191.10774	1.5
192.07948	1.5
193.05011	0.7
193.08716	2.3
194.05872	0.6
195.06662	1.3
196.02289	1.4
198.03761	1.1
198.05362	1.8
203.07233	0.7
203.10797	0.6
205.04930	1.2
205.08707	1.9
205.12398	0.7
207.06732	3.2
207.10283	1.3
209.08096	0.9
212.06932	1.4
217.08795	1.0
219.06645	1.9
219.10229	2.4
219.13748	0.5
220.07397	1.5
221.08211	19.9
221.11787	1.3
222.08972	8.9
223.09355	0.7
231.10176	0.7
233.08217	2.1
233.11833	6.9
234.12254	1.2
235.09740	1.3
235.13570	0.6
242.02202	2.7
245.11798	0.9
245.15347	2.8
247.09724	1.8
247.13402	1.2
247.17091	0.6
249.11470	0.7
251.12946	3.4
255.02969	1.0
256.03732	0.6
259.09738	1.0
259.13821	0.5
259.17023	0.6
261.08157	0.5
261.11374	1.3
261.14999	2.9
262.15585	1.1
263.09238	1.2
263.12830	2.1
264.04828	1.6
268.03497	0.8
271.02429	0.6
273.11288	1.0
273.14780	0.7
275.12897	2.3
277.33737	0.7
282.01642	1.6
283.02399	3.2
284.03308	0.5
287.12695	0.5
289.14505	16.1
289.17767	1.0
290.15164	3.0
291.12598	0.9
291.15958	7.7
292.16293	0.8
293.13971	2.7
295.02600	4.2
296.03201	0.6
297.04593	0.8
298.08545	1.1
303.12683	1.0
303.16025	2.8
307.02527	2.0
307.06509	0.9
309.04019	0.7
311.06039	0.5
311.09250	2.2
312.10114	1.1
315.15936	1.0
317.13959	1.9
317.17377	1.0
318.09607	6.6
319.10114	0.9
319.15439	2.2
320.16022	0.8
321.17133	0.7
322.14191	1.4
326.07935	5.9
327.08514	0.6
331.15466	1.7
331.19247	2.5
333.16989	0.6
333.20688	0.6
337.07260	0.6
337.16644	1.9
339.08755	19.1
340.09470	3.0
345.13309	0.8
345.20560	0.7
347.18689	0.8
351.08755	28.0
358.17783	1.2
359.14832	1.0
359.18652	3.9
361.11661	0.5
361.16412	1.1
362.11633	0.6
365.10382	1.0
373.20215	1.0
374.12076	1.3
375.12775	3.9
375.18091	34.9
376.13950	0.7
376.18436	2.3
377.13956	6.1
379.11871	2.4
387.21817	4.2
393.13550	1.7
394.14233	32.6
401.14499	0.7
401.19595	1.7
401.23523	1.7
403.17667	8.8
404.13336	1.4
405.13687	1.1
415.21124	1.1
417.13525	0.8
419.15036	12.5
423.14334	0.8
426.13104	0.7
428.25665	2.0
429.22818	8.6
430.23203	0.7
435.14569	2.5
443.24332	2.2
444.25211	1.9
457.22232	1.5
460.15765	1.0
461.19708	6.2
461.25446	71.3
462.25751	13.6
463.17554	2.0
471.24023	1.8
476.24127	2.5
478.19958	26.7
514.20557	0.7
529.22577	0.6
546.23187	26.0
546.30829	1.0
547.29309	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	546.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.5
57.03447	8.0
61.98831	42.3
68.99819	6.1
70.59102	2.2
71.05029	2.0
83.05034	22.6
84.05362	1.5
85.02965	1.8
85.06612	2.8
87.04523	26.9
99.04536	3.3
101.06101	3.7
101.98107	4.9
109.02963	1.4
109.06614	2.3
111.04536	83.4
112.04877	3.3
113.06104	20.2
114.06454	1.0
114.91338	0.8
115.04043	2.5
116.96793	1.5
121.06600	1.5
123.04568	1.3
123.08167	4.7
125.02466	1.1
135.08136	1.6
135.54916	0.9
137.02435	2.2
137.09738	1.7
139.04034	45.0
140.04416	2.1
141.09253	2.2
151.04028	2.2
151.11308	3.7
153.05553	1.3
165.05450	1.0
165.12875	2.6
167.03491	1.2
167.07224	1.1
168.02820	1.5
168.04263	2.0
172.02287	8.2
177.09105	1.2
179.03468	1.2
179.07204	2.9
181.05067	1.0
182.05850	24.0
183.06273	1.1
183.62758	0.9
186.03818	1.6
186.05318	11.9
187.07664	1.2
191.07097	2.0
191.10800	1.6
192.08014	1.6
193.08698	2.9
195.06580	1.4
200.01756	1.1
203.14310	1.1
205.05040	1.7
207.06613	2.9
207.10364	1.6
207.13971	1.6
209.04544	1.3
209.08293	0.9
209.11884	4.9
215.10779	0.9
219.06721	3.1
219.10260	2.9
219.17474	1.4
220.07478	2.6
221.08194	11.8
221.11728	1.8
221.15424	1.5
222.08800	2.0
225.14964	1.6
231.06799	1.0
233.08217	3.2
233.11867	3.1
235.09796	2.6
237.11331	1.0
245.08148	1.3
245.15456	1.8
247.09795	1.0
247.13364	1.3
251.12875	60.5
252.06406	1.0
252.13219	6.3
253.10825	11.4
261.11182	1.3
261.15094	1.4
263.09274	3.9
263.12973	2.4
275.12823	5.3
277.14645	1.9
287.12817	1.4
289.14676	7.9
289.18112	3.3
289.21658	19.1
290.22000	2.5
291.16104	1.5
293.13974	42.9
294.14212	4.8
303.12399	1.2
303.15909	1.1
317.13815	1.2
317.17432	1.0
318.09592	2.6
318.14420	1.0
319.15604	5.6
321.13525	2.0
322.14230	29.3
322.17993	1.8
323.14532	3.5
331.15634	1.3
331.19211	1.9
336.10565	4.1
337.16556	18.6
338.08578	3.1
338.16788	2.5
345.20566	1.5
363.21506	1.7
373.16159	1.4
373.20331	1.3
374.19791	1.3
375.18124	14.5
376.18451	2.7
378.11478	1.2
387.21817	3.2
391.21286	1.8
392.18439	4.1
401.23416	2.5
402.23962	1.0
404.13068	1.8
415.21115	1.1
429.23373	4.2
430.17807	1.0
441.22925	1.8
443.24426	2.2
445.25879	2.2
458.97659	1.1
461.25470	100.0
462.25769	18.0
513.28540	6.5
515.26544	7.6
546.23315	12.8
546.31171	1.3
547.22589	1.4
547.29260	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	545.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07922	0.9
57.03449	5.9
58.12537	1.0
59.01373	3.2
61.98843	5.0
67.68566	1.1
68.99815	2.1
71.05035	1.9
71.71456	1.1
71.71835	1.9
76.02125	1.0
83.05038	2.1
84.00932	1.2
95.05055	1.8
99.08167	4.5
101.06110	1.7
107.05039	2.7
109.03000	1.7
111.04531	2.7
121.06589	1.5
123.04562	1.5
123.08190	1.5
125.06103	75.4
126.06456	2.1
133.06654	1.1
145.06647	1.0
179.07202	1.4
189.09212	1.7
193.08765	1.4
195.06688	1.8
205.12349	1.1
207.10316	1.8
217.12244	2.0
229.12346	2.7
233.08171	3.2
235.09747	1.2
236.59456	1.1
245.08034	1.4
247.09718	5.5
248.10576	1.3
259.09470	1.1
273.14941	2.3
287.16406	1.8
301.14505	1.5
303.12466	1.2
303.23273	2.1
309.21149	1.3
319.15759	1.3
331.19083	1.8
333.17148	5.3
347.18777	3.7
357.16916	1.5
357.20782	2.6
360.16000	2.8
361.16528	1.9
362.16736	1.0
375.18146	15.2
376.18500	1.5
387.17950	5.4
397.23907	1.3
400.18417	1.5
401.19409	2.3
401.23920	1.7
415.24979	1.4
416.21967	1.3
429.22891	7.1
441.22940	2.8
459.23895	100.0
460.24280	17.7
470.26663	1.5
471.27481	3.7
511.30789	2.1
513.28314	5.9
527.30090	2.2
528.30402	1.6
545.31323	30.7
546.31537	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29385	0.2
54.31189	0.4
55.01873	0.7
56.54403	0.3
57.03451	1.6
58.00595	1.3
59.01384	14.5
61.98835	6.6
69.03475	1.4
71.01387	11.5
71.71379	0.4
72.99316	0.8
73.02952	2.4
78.74948	0.3
83.01388	1.2
83.05032	0.9
84.02172	0.3
85.02950	2.8
87.00896	2.3
87.04526	0.4
89.02454	9.8
91.03996	0.5
91.80921	0.3
93.03471	1.4
93.07117	0.7
95.01407	0.8
96.96015	0.3
97.02966	0.5
97.06618	0.4
99.00922	0.7
99.04515	0.9
101.02460	11.8
102.02750	0.3
109.02987	0.5
109.06606	0.5
111.04562	0.7
111.08177	19.9
112.08498	0.9
113.02467	5.9
114.02843	0.3
119.03522	2.9
121.03013	0.3
121.06654	0.3
125.02443	0.8
125.09728	0.3
127.07631	0.7
131.03590	0.4
137.02463	0.4
137.09712	0.5
143.03574	1.3
149.04558	0.5
151.00360	0.6
151.11310	0.7
153.09233	0.8
153.12877	1.4
154.02776	0.3
159.04564	0.5
161.04593	5.4
163.11250	0.3
165.12836	0.4
167.14545	0.4
169.12364	6.9
170.12651	0.5
171.10281	0.6
173.04570	1.5
173.06030	0.6
174.06880	0.3
177.01953	0.4
179.05641	1.7
179.10838	1.0
181.12326	1.3
183.13918	0.9
186.06808	0.6
187.04022	0.3
187.07687	1.0
191.05634	4.4
193.12494	0.3
195.06711	0.4
197.11847	91.9
198.12189	6.3
199.04037	0.3
199.13416	5.5
200.04831	0.7
201.05566	1.0
201.09186	1.2
206.94710	0.3
209.11879	1.1
211.13405	11.3
212.08276	0.3
212.13701	0.8
214.06374	0.8
215.07141	3.0
225.14932	0.3
227.12892	2.3
229.08737	2.9
229.19637	0.3
230.09348	0.9
235.08214	0.9
247.20683	0.9
249.14983	1.5
251.16385	0.3
253.09291	49.7
254.09682	2.7
256.07376	0.4
263.20123	5.2
264.20624	0.5
265.18109	2.5
271.02518	0.4
273.18668	1.4
281.31564	0.3
284.03275	0.5
291.19666	26.7
292.19977	2.4
297.04282	0.3
300.02795	0.8
301.03476	0.4
309.20728	100.0
310.21072	10.6
371.14981	1.1
381.09891	0.4
416.64069	0.4
433.20837	0.8
447.08932	0.6
448.70792	0.4
485.24008	0.6
527.28589	0.4
545.20190	0.8
545.29388	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	545.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.8
59.01384	2.2
61.98830	1.5
63.02410	0.7
65.00312	0.6
65.87730	0.2
68.99579	0.5
69.03464	0.5
71.01389	2.4
71.72482	0.4
72.99287	0.2
73.02959	0.3
81.03465	2.7
83.01397	6.1
84.01712	0.3
85.02962	0.5
86.92822	0.2
87.00853	0.3
89.02456	3.3
93.03471	0.8
95.05017	0.5
96.96037	1.1
97.02975	1.5
99.04543	0.2
101.02472	0.8
105.03480	0.4
107.01403	1.9
109.02990	0.5
111.00871	0.3
111.04507	0.4
112.98565	0.4
113.02506	0.5
121.02967	1.0
123.00866	0.3
123.04536	1.1
123.08180	0.6
124.01665	0.5
125.02465	100.0
125.06059	1.6
126.02799	3.6
131.03578	0.4
133.03027	0.2
135.04541	0.4
137.02470	0.6
139.04018	3.4
141.09235	0.3
143.03560	0.3
149.02466	12.0
150.02798	0.6
151.00394	3.4
151.04054	0.2
152.00688	0.3
163.04034	0.2
165.01935	0.3
165.09212	0.2
167.03525	9.2
167.07164	0.5
168.03857	0.4
169.01453	0.4
173.04575	0.4
174.03189	0.2
177.01912	0.2
178.99782	0.2
179.03511	1.1
191.03534	1.1
191.05548	1.5
203.03535	1.0
204.04276	1.6
207.10277	0.5
209.04585	0.3
209.08238	0.5
215.07033	0.4
229.08698	0.3
233.08189	31.1
234.08559	2.5
251.09245	14.2
252.09546	0.9
255.03210	0.3
273.07706	0.2
275.09296	2.9
293.08896	0.7
300.03018	0.2
381.09952	0.3
419.11942	8.2
420.12204	1.3
447.09393	0.4
461.13184	1.3
462.13000	0.2
483.14743	0.3
545.18726	25.9
546.19086	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	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03447	1.6
58.00599	1.2
59.01085	0.7
59.01380	13.9
61.98834	9.7
65.04955	0.3
69.03461	1.5
69.51364	0.3
71.01387	11.9
72.99330	0.7
73.02946	2.5
80.96523	0.3
83.01409	1.1
83.05037	0.9
85.02951	3.5
87.00886	2.4
87.10781	0.4
89.02458	10.0
93.03481	2.0
93.07098	0.7
95.01403	1.3
97.02957	0.6
97.06633	0.7
99.00895	0.7
101.02458	12.6
107.01388	0.4
109.02977	0.4
109.06621	0.7
111.04528	0.7
111.08173	19.4
112.08507	0.9
113.02470	6.5
119.03532	2.5
123.08210	0.4
125.02494	1.0
125.09738	0.4
127.07672	0.8
129.01915	0.5
131.03503	0.7
137.02473	0.9
137.09715	0.4
141.09236	0.8
143.03506	1.2
149.04518	0.4
149.09697	0.4
151.00407	0.4
151.11311	1.0
153.09248	0.6
153.12872	1.6
154.02773	0.5
155.03508	0.4
159.04515	0.7
161.04602	5.1
167.03477	0.4
167.10851	0.5
169.12370	7.9
171.10262	1.2
172.05368	0.5
173.04562	2.0
173.06075	0.9
174.06844	0.9
177.01944	0.5
179.05667	2.0
179.10805	1.0
181.12392	1.2
183.13911	1.0
186.06889	0.6
187.07629	1.9
189.02002	0.5
191.05626	6.6
192.05954	0.4
193.12361	0.7
197.11842	94.9
198.12198	7.1
199.13394	6.1
200.04906	0.8
201.05603	1.5
201.09174	1.1
201.10994	0.4
208.96365	0.4
209.11888	1.2
211.07750	0.6
211.13408	12.7
212.13585	0.8
214.06366	0.8
215.07120	3.9
216.07643	0.5
227.12862	2.8
229.08693	3.8
229.58434	0.5
230.09338	1.1
235.08220	0.6
247.20804	0.5
249.14967	2.6
250.43291	0.4
253.09285	51.1
254.09595	2.6
256.07465	0.8
259.02438	0.4
263.20169	4.1
265.18066	2.5
271.02579	0.6
273.18677	1.7
274.08484	1.0
285.03809	0.4
291.19653	26.9
292.19937	3.4
300.02692	0.5
301.03455	0.7
309.20715	100.0
310.21054	13.3
327.16034	0.5
327.49014	0.4
371.14969	0.8
433.20532	0.6
447.09109	0.8
461.25378	0.5
474.11423	0.4
485.23590	0.6
527.28711	0.6
545.06689	0.4
545.20288	1.4
545.29498	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	545.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66125	0.4
51.86007	0.4
57.03448	7.6
59.01386	3.0
61.98832	7.3
63.02397	1.5
65.00325	20.9
66.00642	0.4
67.01888	0.6
68.99831	0.4
71.01392	1.5
71.05128	0.5
71.05481	0.9
79.11642	0.4
81.03467	0.8
83.01394	9.9
85.02950	1.3
87.00879	1.1
89.02429	1.1
93.03468	2.2
95.01387	1.5
96.96022	2.2
101.02454	0.6
102.56703	0.3
107.01402	26.1
108.01702	0.8
109.02972	2.5
111.00900	1.0
113.02457	0.7
115.53473	0.4
121.02968	1.1
122.08985	0.3
123.00895	1.5
123.04544	1.5
124.01672	3.8
125.02463	54.8
126.02826	2.1
133.03043	0.5
135.04552	0.8
137.02441	2.5
138.28337	0.4
146.03758	2.4
149.02461	1.1
150.03256	1.6
151.00389	100.0
152.01178	12.2
153.01950	6.4
158.03728	0.7
159.04512	1.2
161.02440	0.7
162.56770	0.4
163.00322	0.9
164.01143	0.6
165.01964	8.8
166.02307	0.4
167.03499	3.6
169.01454	3.1
172.05313	2.3
173.04623	0.7
173.06075	1.3
174.03236	10.6
174.06836	1.0
175.03941	1.7
175.07637	5.8
176.08049	0.7
177.02000	2.3
178.99869	16.5
179.49597	0.4
180.00220	0.8
181.01436	4.5
181.06934	0.4
183.02937	0.5
183.13530	0.4
185.06071	1.1
186.06847	1.1
187.04019	3.7
187.07666	1.8
188.04811	1.2
189.05548	1.1
190.02734	0.5
191.05629	3.7
191.07169	0.7
193.01440	0.7
199.04024	0.6
199.07697	0.7
200.04796	7.5
200.08284	0.5
201.02118	0.4
201.05380	1.6
201.09221	1.7
202.06340	3.1
202.09659	0.5
203.07152	20.2
204.07465	1.4
204.16664	0.4
205.01404	0.8
209.06128	0.9
211.04016	0.9
211.07639	1.6
212.04758	0.5
213.01955	0.8
213.05528	0.9
214.02733	1.2
214.06316	0.8
215.03693	2.2
215.07135	8.4
216.04190	0.8
216.07756	1.6
217.05081	2.3
217.08682	1.5
218.05695	0.5
219.06435	0.5
225.05702	0.6
226.02798	0.6
227.03508	0.9
227.07126	1.3
229.01488	0.7
229.05017	1.1
229.08691	13.2
230.05766	0.5
230.08987	0.8
239.03535	0.6
240.04327	1.3
241.05064	0.8
243.02956	5.6
243.06593	1.6
244.03726	3.7
244.07390	1.5
245.08130	1.3
246.08958	5.3
247.09659	2.4
251.07104	0.5
253.08722	1.6
255.06635	5.6
256.03745	0.5
257.04544	1.1
265.05066	0.9
266.05545	0.5
269.08228	0.8
270.08893	0.5
271.09729	0.9
272.06897	8.7
273.07666	30.2
274.07944	2.2
278.05942	0.4
279.06717	0.5
283.05988	1.0
284.03271	5.2
285.03561	0.5
289.07309	0.5
294.08984	0.9
295.09744	1.0
297.07047	0.5
308.06787	0.7
309.04007	0.5
309.11185	0.5
311.09177	0.5
312.10049	0.7
313.10562	0.4
319.09677	0.6
327.07410	0.5
329.08762	0.9
334.04849	0.7
335.09097	1.0
336.10031	0.9
337.07132	0.8
337.10849	3.4
338.11386	0.5
353.10278	0.7
363.08752	6.7
364.09052	1.4
371.11398	1.5
381.09790	36.1
382.10104	5.0
387.60522	0.4
393.15567	3.9
394.16031	0.6
399.05493	0.8
399.10858	22.1
400.11200	3.1
419.13480	30.9
420.13702	4.5
483.17386	0.6
503.13464	0.5
527.15741	3.6
528.15222	0.6
545.16528	9.3
545.25519	1.0
546.16718	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	545.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60156	0.3
57.03447	4.7
58.03793	0.7
59.01381	6.4
60.01701	0.6
61.98833	9.0
63.02402	1.7
64.82538	0.3
65.00323	12.9
68.99818	0.5
69.03448	0.4
69.72711	0.8
69.73116	2.0
71.01395	2.7
73.02961	0.6
80.91698	0.3
81.03480	0.4
83.01390	5.9
84.46609	0.4
85.02966	1.4
87.00893	1.2
89.02447	2.1
93.03463	1.1
95.01383	0.6
96.67501	0.3
96.96047	0.5
99.00886	0.5
99.04530	3.4
100.04842	0.6
101.02457	2.2
107.01402	18.4
108.01707	0.7
109.00648	0.4
109.02960	0.7
111.00919	0.4
111.04517	0.4
113.02448	1.4
121.02960	0.8
123.00895	0.4
124.01685	3.8
125.02464	12.2
126.02814	0.9
135.00905	0.4
135.04553	0.9
137.02438	1.4
137.03441	0.4
139.00421	0.7
141.01952	0.5
146.03699	0.4
147.04451	0.5
149.02495	0.8
150.03267	1.6
151.00386	100.0
152.01180	13.0
153.01988	1.8
159.04509	0.7
161.02467	0.5
161.04709	0.4
161.06097	0.4
162.03262	3.4
163.04042	2.0
164.68346	0.3
165.01881	0.5
167.03528	0.4
169.01414	4.2
172.05316	0.7
173.04596	0.5
173.06062	0.4
175.04019	1.2
176.04697	0.4
177.01920	0.5
177.09204	0.5
178.02719	0.4
178.99872	30.6
180.00232	1.4
185.06047	0.4
186.06906	0.7
187.04021	0.8
189.05554	0.6
189.09157	0.6
190.02675	0.4
190.06454	0.4
191.01923	0.6
191.03519	6.3
191.05620	5.6
191.10829	1.8
192.03940	0.4
192.05911	0.5
200.04735	0.7
201.09190	1.6
203.03355	0.5
203.07120	0.8
203.10898	0.7
204.04134	0.3
209.08130	0.5
209.11862	0.6
211.04030	0.6
212.04768	0.5
214.06319	0.8
215.03499	0.7
217.01379	0.5
217.08649	2.2
218.09479	5.6
219.10262	6.2
227.03494	1.0
229.08701	1.5
245.08188	3.7
246.08945	18.3
247.09682	6.5
248.10127	0.7
253.09132	0.6
255.02974	3.6
256.03625	1.3
267.10236	0.4
271.02576	0.4
272.06995	0.9
273.07648	5.0
274.08221	0.7
283.02423	1.8
284.03229	9.2
285.03806	1.5
291.19843	0.4
301.03345	0.5
309.20691	0.8
313.10745	0.5
323.05679	0.6
337.10770	0.9
353.10278	5.6
353.14200	0.7
353.19443	0.9
354.10724	0.9
355.11981	0.4
371.11285	0.7
381.09787	26.0
382.10062	4.0
393.15530	18.4
394.15894	2.2
398.09979	1.6
399.05545	0.6
399.10800	10.8
400.11127	1.4
419.13531	4.4
420.14038	0.7
447.09320	0.6
448.10196	0.6
448.65811	0.4
485.24100	0.4
520.22168	1.2
527.15363	0.4
545.16644	21.2
545.26465	1.3
546.16718	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	545.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03523	0.8
57.03456	4.8
59.01376	1.0
65.18157	0.7
67.01897	2.2
69.03439	1.4
71.01386	1.1
71.71607	1.6
72.20717	0.8
77.74522	0.8
83.60213	0.7
85.02960	21.5
87.00884	34.0
87.74742	1.0
93.03458	1.0
97.02976	1.7
111.00899	93.3
112.01242	3.5
129.01962	4.6
130.99832	1.3
135.04556	3.5
146.24014	0.8
160.04102	0.9
162.27060	1.0
173.00945	3.8
179.03525	2.7
191.01988	100.0
191.05592	13.8
192.02335	2.9
196.23756	0.9
203.01929	4.9
204.08698	1.1
219.60591	0.8
313.35211	0.8
353.08847	5.5
354.08795	1.1
561.17841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87917	0.3
57.03447	0.5
59.01377	0.8
69.78439	1.9
69.78857	0.7
71.01376	0.4
77.62961	0.3
85.02965	6.1
87.00896	2.0
92.50382	0.3
93.03455	1.6
98.24514	0.3
99.04561	0.4
109.02970	0.5
109.62519	0.3
111.00922	3.0
111.04531	0.6
127.04024	1.3
133.02977	0.8
135.04524	0.8
161.02420	1.6
162.95174	0.3
173.04518	0.9
179.03513	0.8
191.02100	3.7
191.05632	100.0
192.05975	5.2
203.01900	0.6
333.58047	0.4
353.08774	15.5
354.09122	1.9
404.32834	0.3
461.98730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.7
57.65498	0.5
59.01384	2.6
59.05944	0.4
59.68179	0.4
61.98837	3.6
63.02401	2.0
65.00330	18.9
69.51775	1.5
69.52200	3.0
71.01391	1.3
81.03472	1.1
83.01398	10.3
83.01875	0.8
85.02970	1.0
87.00882	1.2
93.03474	1.5
95.01404	2.0
96.96021	0.8
97.02953	0.5
101.02460	0.6
107.01409	26.9
108.01687	0.8
109.02988	1.4
111.00931	0.7
113.02509	0.6
121.02967	1.0
123.00922	1.5
123.04555	1.3
124.01685	3.6
125.02468	56.7
126.02796	1.9
136.00793	0.6
137.02449	2.1
139.00394	0.7
146.03810	2.5
149.02432	1.0
150.03252	1.6
151.00394	100.0
152.01196	11.1
153.01988	8.3
154.02267	0.6
157.06578	0.5
158.03714	0.5
159.04524	1.3
162.03276	0.4
163.00421	0.7
165.01961	8.0
166.02632	0.4
167.03572	2.7
169.01421	3.5
172.05344	1.7
173.06148	1.5
174.03241	10.3
174.06892	0.7
175.03947	1.7
175.07643	4.2
177.01961	2.9
178.99889	17.2
180.00221	1.1
181.01447	4.4
182.02112	0.5
185.06142	1.3
186.03229	0.6
186.06862	1.5
187.04083	3.8
187.07562	2.3
188.04646	0.8
189.05586	1.2
191.05655	1.8
193.01465	0.9
196.05276	0.7
199.04015	1.3
199.07660	0.9
200.04807	6.4
201.02028	0.6
201.05623	1.1
201.09244	1.4
202.06400	3.6
203.07162	20.7
204.07590	1.5
205.01395	1.3
211.07616	1.6
212.04787	0.7
213.02011	0.8
214.02699	0.7
214.06351	1.3
215.03519	1.8
215.07129	8.6
216.04268	1.0
216.07846	1.6
217.05124	2.7
217.08662	1.2
225.09238	0.9
226.02756	0.8
227.03519	0.7
227.07114	1.4
228.07620	0.5
229.05051	1.2
229.08705	11.4
230.09056	0.5
240.04236	0.9
241.05057	0.8
243.02936	4.6
243.06662	1.7
244.03708	5.4
244.07500	1.2
245.08247	1.3
246.08957	5.3
247.09697	2.5
251.07201	0.5
253.08763	1.2
255.06644	5.6
256.03696	0.6
265.04926	0.6
265.08731	0.5
269.08243	0.9
271.09763	0.9
272.06927	7.1
273.07666	29.2
274.05386	0.5
274.08005	2.7
279.06558	0.6
283.02530	1.2
284.03250	6.2
294.08881	0.6
295.06696	0.5
295.09842	1.6
304.43491	0.5
309.03986	0.6
309.11407	0.7
313.10947	0.9
319.09799	1.0
334.05026	1.0
336.10016	1.0
337.07278	0.9
337.10834	2.9
349.13092	0.5
353.10159	1.1
355.12079	0.9
359.89938	0.5
363.08755	7.1
364.09329	1.1
369.09830	2.6
371.11307	1.3
371.15353	0.7
381.09811	36.1
382.10184	3.9
393.15442	3.0
398.10117	0.5
399.10855	23.7
400.11218	3.6
419.13519	28.1
420.13809	3.9
440.05173	0.5
441.15524	0.5
483.16571	0.6
527.15643	2.9
545.16791	8.8
546.16931	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	544.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67212	0.7
57.03445	4.2
59.01365	2.4
60.49386	0.9
61.98832	57.7
70.15332	0.7
71.05013	5.8
71.73203	0.9
71.73594	0.7
80.91667	1.0
81.03461	1.0
83.05004	1.5
87.04516	0.8
92.18391	0.7
93.30092	0.8
95.05017	1.2
99.08150	4.9
101.06097	3.0
105.80687	0.8
107.05056	1.0
109.02976	2.5
111.04525	3.0
113.09807	0.8
114.40781	0.8
123.04443	0.8
125.02460	5.6
125.06084	8.2
127.07565	0.7
137.02472	2.1
137.06110	1.4
137.09724	3.4
137.99586	0.7
139.11298	2.8
155.07181	0.9
163.04013	1.1
164.27553	0.7
177.05586	0.9
177.09175	1.1
179.07108	1.2
179.10788	2.9
180.04349	0.9
189.09227	1.0
191.07121	1.5
192.07909	1.7
193.08707	6.7
194.09319	1.7
195.06656	1.6
197.11803	3.1
206.09523	1.9
209.08192	62.8
210.08620	4.1
217.15979	1.1
219.10254	1.1
219.17406	1.0
222.08633	0.9
225.07674	1.4
231.10117	0.7
233.08189	3.8
235.17032	5.8
247.09764	2.2
261.14932	14.6
262.15396	2.3
263.16452	2.2
279.16003	48.6
280.16290	4.1
288.17365	0.9
289.21841	1.1
333.20648	1.5
335.18781	0.9
343.15338	1.2
357.20724	1.9
364.13840	3.7
387.21701	1.0
413.27194	1.5
441.26495	5.1
459.27521	100.0
460.27859	20.4
462.25684	1.8
544.25153	37.2
545.14600	1.6
545.25476	5.9
545.31647	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	543.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52953	1.6
57.03447	32.7
59.01381	58.9
61.98835	55.6
63.51818	1.6
71.01392	15.9
71.71864	1.7
71.72258	2.2
73.02953	3.3
80.51067	1.5
83.01389	2.9
85.02980	6.2
87.00917	4.3
89.02469	6.4
93.03500	4.6
96.96028	3.3
99.00891	2.8
99.04530	32.0
101.02458	18.1
111.04514	1.9
111.38241	1.5
113.02496	4.1
119.03535	3.5
121.03001	2.0
124.65474	1.6
125.02469	16.0
125.29984	1.8
137.02487	4.5
143.03551	1.9
146.03816	2.1
151.00435	6.8
161.04691	3.6
173.06195	1.9
178.99869	1.9
191.05621	8.9
201.02238	1.8
207.10425	2.1
209.11911	2.4
211.04016	2.2
212.05096	1.6
214.02708	2.1
223.04083	1.8
239.03484	4.4
241.01489	2.4
242.02313	4.5
243.03143	1.6
267.02982	5.6
268.03842	6.4
270.01813	4.6
282.01721	3.2
295.02521	49.6
296.03140	19.1
298.01236	3.7
299.01935	3.1
309.04431	2.3
323.01892	18.6
324.02029	2.4
324.99915	2.4
325.03711	6.1
328.02567	2.5
340.05881	2.9
353.06866	3.2
367.08466	3.3
368.09155	2.3
396.08722	7.6
397.09683	3.5
399.24011	3.7
441.24963	2.1
483.30032	2.0
507.35587	14.3
525.11951	7.8
543.13788	60.3
543.33313	100.0
544.14136	13.2
544.33521	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	543.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18354	1.7
54.23342	1.5
57.03448	37.2
59.01382	60.9
61.98835	51.6
64.71047	1.7
69.52322	14.2
69.52738	4.1
71.01380	14.4
72.99300	2.7
73.02940	3.1
74.65340	1.8
81.03469	2.7
83.01405	2.8
85.02976	5.4
87.00906	2.3
88.98816	2.6
89.02433	10.2
93.03498	5.5
99.04534	38.2
101.02478	14.5
113.02463	6.1
119.03519	3.1
123.04566	2.6
125.02448	14.5
135.08189	3.0
137.02487	9.2
151.00418	2.8
161.02528	2.7
161.04614	3.0
164.40323	1.7
171.10335	5.5
178.99805	2.4
179.05600	3.3
185.11832	1.7
191.05595	11.6
214.02730	2.7
225.92253	2.1
241.01309	2.1
242.02251	7.0
245.00786	2.3
267.02969	2.7
270.01730	4.3
289.18216	4.4
294.87000	1.6
295.02557	14.7
296.03192	6.5
298.01181	4.0
299.02103	3.3
307.19278	3.9
323.01974	4.8
325.03461	2.5
341.06601	2.5
392.15845	2.1
396.08292	2.5
397.09283	2.6
399.23862	2.9
441.25357	3.2
507.35489	15.6
508.35776	3.9
525.12140	2.9
543.14716	27.8
543.33209	100.0
544.14862	3.2
544.33563	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	543.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.16597	0.4
57.03449	98.1
58.00594	0.6
58.03791	2.0
59.01380	100.0
60.01716	1.1
61.98833	4.5
68.82301	0.4
70.87520	0.8
70.87851	0.5
71.01386	17.3
72.99329	0.4
73.02951	5.9
78.91891	1.0
81.03458	2.0
83.01390	3.9
85.02958	8.1
87.00901	0.6
89.02445	4.7
95.01416	1.1
99.00903	2.5
99.04532	99.7
100.04852	3.3
101.02459	36.8
102.02819	0.8
106.73779	0.4
113.02467	6.1
119.03517	1.4
125.02461	35.9
126.02776	1.3
129.01941	0.5
131.03427	0.4
143.03514	5.6
150.94179	0.4
151.00436	0.5
159.02986	1.0
161.04567	4.6
171.10405	0.4
179.05678	0.7
191.05627	0.8
192.70175	0.5
200.08917	0.4
202.38774	0.4
213.43695	0.4
231.54022	0.5
237.18588	1.5
270.01361	0.5
399.23923	13.0
400.24094	2.1
441.24869	10.1
442.25110	1.6
443.22784	2.9
449.78494	0.4
481.28113	2.2
499.28976	0.8
534.07190	0.5
538.14655	0.5
543.14355	1.4
543.27875	23.9
544.28094	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03448	89.9
58.00603	1.1
58.03782	1.5
59.01381	100.0
60.01709	0.9
61.98835	16.9
68.60615	0.9
71.01385	16.7
71.72128	1.0
71.72516	1.2
72.99320	0.9
73.02964	4.2
81.03460	2.3
83.01370	4.3
85.02960	5.8
85.59232	1.0
87.00842	1.9
89.02451	14.2
90.04585	0.8
93.03489	0.9
97.03034	0.7
99.00886	1.3
99.04534	94.3
100.04859	2.9
101.02454	33.0
102.02799	1.3
106.97341	0.8
113.02473	7.8
119.03535	4.6
122.48641	1.0
125.02466	32.5
126.02798	1.4
143.03539	4.9
161.04562	3.0
175.69398	0.8
179.05611	2.6
191.05623	2.5
209.11876	2.2
237.07710	0.9
242.02097	1.2
270.01666	1.9
295.02551	4.0
298.01205	1.9
304.19498	1.2
307.19177	1.8
396.08371	1.2
397.09091	1.1
399.24011	6.9
400.24048	1.5
441.25015	5.3
442.25314	1.0
443.22583	2.7
543.15314	5.1
543.27423	10.2
543.33295	12.2
544.28363	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	543.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90903	0.6
55.01882	1.0
57.03452	92.5
58.03789	2.3
58.28255	0.5
59.01382	100.0
60.01714	1.0
61.98835	12.5
65.04033	0.6
69.99081	3.2
71.01387	17.6
72.99318	1.1
73.02968	4.4
75.00904	0.7
77.48077	0.6
78.91902	0.7
81.03471	1.8
83.01395	3.4
85.02961	6.3
87.00891	0.8
88.98825	0.8
89.02460	13.7
95.01409	1.9
99.00906	1.6
99.04536	98.7
100.04895	2.9
101.02461	32.5
102.02783	1.2
113.02451	7.3
114.63664	0.6
119.03531	5.7
121.03014	0.6
125.02467	39.9
125.63644	0.6
126.02851	1.5
128.90169	0.5
131.03491	0.6
137.02393	0.8
143.03511	5.1
145.02966	0.9
149.04524	0.6
150.37889	0.6
150.55370	0.6
151.00400	1.1
152.01083	0.7
161.04611	3.8
162.03424	0.5
178.99829	0.7
179.05634	2.4
191.05592	2.5
201.05394	0.6
209.11861	0.8
237.07628	0.7
237.18556	0.6
242.02180	0.9
247.27875	0.5
259.02338	0.9
270.01450	0.7
271.02420	0.7
283.07343	0.6
285.03967	0.6
287.34387	0.5
295.02509	1.0
301.77371	0.6
365.02960	0.9
396.08472	1.6
399.23877	11.9
400.24054	1.6
425.78400	0.7
441.24945	7.2
442.25571	0.7
443.22733	2.0
444.22797	0.7
481.28000	1.8
499.28809	1.2
543.05817	1.7
543.14691	6.0
543.27765	18.9
544.28156	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	543.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52763	0.2
57.03451	11.0
59.01384	1.8
61.98833	6.4
63.02431	0.6
64.96539	0.2
65.00350	0.5
69.03510	0.2
70.73572	0.3
71.01392	1.0
73.02961	0.2
78.91908	1.3
80.96513	1.5
81.03465	1.7
83.01395	5.7
85.02983	0.5
87.00928	0.2
88.98849	0.3
89.02478	0.5
92.03559	0.2
93.03530	0.4
94.98131	0.5
95.05041	0.4
96.96046	0.6
97.02983	0.7
99.04535	5.8
99.05148	0.3
101.02461	2.7
105.03516	0.3
107.01401	1.5
107.05065	0.2
109.02969	0.4
109.06611	0.3
111.04528	1.3
113.02497	0.2
118.57564	0.2
121.03004	0.7
123.04529	1.0
124.01772	0.3
125.02467	100.0
126.02808	3.6
135.04558	2.2
136.05313	0.2
137.02432	0.4
139.04051	1.6
143.03474	0.3
149.02461	10.0
150.02777	0.3
151.00394	1.8
151.04184	0.2
153.05595	0.3
159.85445	0.2
161.04587	0.4
162.29395	0.2
163.04028	0.3
167.03523	4.3
169.01393	0.4
171.02835	0.2
173.02365	0.4
173.04485	0.2
176.08461	1.2
177.01910	0.2
177.09245	2.2
178.99947	0.2
179.03516	0.6
182.68930	0.2
191.03688	0.9
191.05472	0.9
203.03592	0.2
204.04260	0.7
209.04482	0.3
211.13287	0.2
219.06635	30.8
220.06955	2.1
225.00648	0.5
236.62570	0.2
237.07681	10.4
238.07945	0.7
257.15421	0.5
261.07727	1.7
262.07980	0.3
274.15729	1.8
275.16544	2.4
279.08798	0.5
287.07855	0.9
290.95813	0.2
305.08704	0.7
312.26495	0.2
329.08932	1.2
353.06299	0.5
369.11740	0.3
381.11664	0.2
399.12982	9.6
400.13303	1.3
431.11938	1.6
437.21420	0.4
441.14047	6.2
442.14270	1.0
481.16187	1.5
481.20447	1.7
482.17096	0.4
525.16138	2.0
543.16425	7.3
544.17029	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	542.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16740	0.4
59.01368	0.6
65.99838	0.4
70.73280	0.5
70.73638	0.9
71.01392	0.5
85.02962	4.1
87.00887	0.6
93.03471	1.4
102.25472	0.4
111.04522	0.5
127.04018	1.1
133.02901	0.4
135.04541	1.3
144.04573	100.0
145.04913	6.1
159.03275	0.6
161.02470	1.0
171.03082	0.6
173.04524	0.8
179.03529	1.2
188.03551	44.6
189.03891	2.8
191.05630	84.3
192.06012	3.7
353.08783	12.1
354.09119	1.3
516.79669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01003	0.1
52.75145	0.1
61.98834	100.0
62.98544	0.2
69.53515	1.4
69.53816	0.1
80.96537	0.3
87.04550	0.3
87.69246	0.1
96.96038	0.2
102.32630	0.1
111.04551	0.7
113.06149	0.3
115.92132	0.5
116.92896	0.6
137.38332	0.1
139.04054	0.5
140.69745	0.1
161.03299	0.2
166.63084	0.1
182.05934	0.3
186.05431	0.2
221.08205	0.3
251.12875	1.2
256.97623	0.1
293.13837	0.8
322.14240	0.2
337.16641	0.3
460.28064	0.3
461.25452	1.5
524.02588	0.2
525.19568	0.2
543.19318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	19.2
61.98840	3.4
70.93696	7.2
71.05052	3.2
85.02975	10.9
96.96013	3.0
101.06083	14.7
111.08176	3.8
123.08119	3.2
135.08182	9.1
139.04005	3.4
139.07631	5.0
140.04773	2.4
143.07257	2.4
151.11305	16.7
153.09248	4.0
165.12805	11.5
169.08591	2.7
171.06641	4.8
181.12341	9.2
191.10692	6.7
209.11798	30.9
209.15260	5.3
210.12189	2.8
219.17574	7.6
221.15411	3.9
236.98842	2.7
237.14922	27.0
253.10803	100.0
254.11111	10.0
275.13055	2.8
289.21719	70.2
290.22012	7.6
333.20779	10.6
334.21222	2.5
389.19479	4.1
459.27359	9.5
473.25443	44.9
474.25964	11.1
541.31744	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	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72846	0.2
61.98832	100.0
69.73776	0.2
69.87124	0.8
69.87531	0.3
83.54130	0.2
110.63148	0.2
141.68146	0.2
152.20752	0.2
183.79248	0.2
259.73834	0.2
260.70963	0.2
318.90570	0.2
464.22668	0.2
495.88028	0.2
518.11462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.6
59.01381	3.9
60.99027	1.1
60.99309	15.0
61.98832	9.0
64.80036	0.7
67.95220	0.8
71.01391	1.8
71.71835	1.3
73.02937	0.7
75.73025	0.7
85.02941	0.7
87.04530	1.7
87.11314	0.7
88.98814	71.0
89.02428	0.9
92.76476	0.9
93.03461	3.7
95.05029	1.3
97.69928	0.8
99.04543	1.1
101.02460	1.1
109.02973	13.9
111.67844	0.7
123.04530	8.6
125.02455	1.6
127.05295	0.9
133.02971	2.2
137.02463	4.6
145.02908	1.0
147.04541	2.3
150.03314	0.8
151.04010	4.4
159.04503	0.8
161.02443	3.6
174.86482	0.8
176.01207	1.0
177.00473	1.3
177.01942	18.1
178.02220	1.0
187.03958	1.0
189.01950	33.1
190.02692	8.4
191.03482	7.9
192.03865	0.8
203.03445	4.0
216.00670	6.2
217.01428	35.8
218.01927	3.9
219.02989	14.4
220.03201	0.9
231.02995	10.5
233.04500	0.9
235.09666	1.7
276.03915	0.8
289.07205	1.5
296.39267	0.8
297.07571	1.1
323.05627	2.2
341.06674	83.6
342.06937	9.6
366.02246	0.7
396.36346	0.8
402.88205	0.8
451.10339	100.0
452.04782	1.1
452.10693	16.6
540.25616	0.9
541.26459	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	540.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80775	0.2
59.01371	0.4
61.98832	100.0
62.93096	0.2
70.21088	0.2
83.99566	0.2
89.93175	0.2
98.19839	0.6
107.64647	0.2
125.02483	0.3
131.05023	0.5
151.04007	0.5
152.98386	0.3
155.05078	0.3
157.90413	0.2
173.06076	0.4
175.04074	0.8
177.01930	0.3
198.03432	0.2
199.04002	1.1
217.05020	0.3
243.02960	3.8
244.03436	0.4
261.04007	5.6
262.04434	0.3
417.08337	0.9
435.09320	0.6
477.10428	4.4
478.10873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86401	0.1
59.01383	0.3
60.72095	0.1
61.98833	100.0
62.98544	0.2
65.00327	0.2
69.49214	0.9
69.64085	0.1
71.01418	0.1
73.02937	0.1
83.01437	0.1
88.98843	0.2
89.02442	0.2
98.19876	0.2
101.02419	0.1
107.01410	0.2
109.03000	0.2
125.02456	0.5
131.05040	0.3
133.02963	0.1
151.00403	0.3
151.04068	0.2
155.05093	0.2
157.02960	0.2
171.04527	0.1
173.06093	0.2
175.04050	1.1
177.02026	0.2
191.03575	0.2
193.05138	0.2
199.03996	1.3
200.04442	0.1
201.01959	0.1
217.05003	0.5
218.05524	0.1
243.02983	6.0
244.03325	0.5
247.09766	0.1
261.04034	9.5
262.04370	0.7
275.09286	0.3
276.09763	0.2
396.13889	0.1
417.08383	0.2
435.09518	0.5
477.10443	3.9
478.10629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64859	0.1
59.01389	0.3
61.98832	100.0
62.92489	0.1
69.53286	1.3
71.58635	0.1
88.98833	0.5
98.20642	0.3
120.20853	0.1
120.57951	0.1
125.02473	0.2
151.00378	0.2
155.05098	0.2
158.32835	0.1
172.25606	0.1
175.04047	0.5
177.02020	0.3
182.92853	0.1
191.03610	0.2
199.03969	0.9
207.52711	0.1
217.05011	0.3
228.15599	0.1
233.04677	0.2
243.02972	4.1
244.03452	0.3
259.02393	0.2
261.04019	5.7
262.04471	0.4
303.05093	1.2
375.07507	0.5
417.08368	0.8
418.08511	0.2
435.09415	0.7
477.10370	3.3
477.16913	0.2
478.11069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97208	0.6
52.08414	0.8
55.01743	0.7
55.01974	1.2
57.03276	1.3
57.03566	1.8
58.00697	0.9
59.01169	3.9
59.01508	10.6
61.98606	2.1
61.98964	4.9
71.01093	3.4
71.01539	10.9
71.05016	1.3
71.05373	1.3
72.99419	1.2
73.02655	1.4
73.03098	3.4
83.01564	3.5
84.85418	0.6
85.02576	1.7
85.03131	7.6
87.01017	1.2
88.98459	0.9
88.98957	1.4
89.02035	1.1
89.02637	4.8
93.03651	2.0
95.01589	2.4
99.00460	1.0
99.01054	1.9
101.01905	1.7
101.02646	11.8
111.01048	1.1
113.02682	4.5
119.03656	1.4
121.02233	1.2
121.03188	4.0
122.03962	5.1
132.02348	1.0
132.39801	0.6
133.03194	5.8
134.03909	1.2
136.01822	1.5
147.04704	1.2
149.01422	2.1
149.02687	28.5
149.06357	2.0
150.02159	2.6
150.03471	41.7
151.03854	2.3
159.03113	0.8
161.02516	0.8
161.04770	1.0
164.04852	5.1
165.04332	2.2
165.05586	38.4
166.06502	5.0
167.07333	1.4
180.04599	2.2
181.08720	6.3
191.05762	1.2
192.06239	0.6
195.05016	0.9
195.06642	15.6
196.07243	0.8
213.51064	0.6
288.97073	0.7
314.11655	5.9
315.12305	2.0
329.13956	13.1
330.14572	1.9
343.13959	13.7
343.17444	0.9
344.14410	1.6
357.15570	0.8
412.96176	0.6
451.55496	0.7
491.19211	100.0
492.19543	17.3
539.13287	1.3
539.21240	22.8
540.21948	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	539.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.0
57.03450	55.6
58.03776	0.9
59.01391	8.0
60.99334	0.8
61.98833	70.9
69.03471	2.0
70.90501	1.0
71.01387	19.8
71.05042	1.5
71.72277	0.9
73.02953	6.4
74.76034	0.9
75.00903	1.3
78.95889	1.1
79.05521	0.9
81.03471	4.8
82.04795	0.8
83.01409	3.7
83.05024	1.4
85.02967	10.7
85.06616	1.1
86.00119	1.2
87.00885	6.1
88.98841	1.1
89.02437	1.3
95.01424	1.8
96.96030	1.6
97.02957	3.4
97.06596	2.5
98.03741	2.9
99.00914	2.8
99.04520	11.6
99.78982	0.9
101.02467	11.0
101.06066	5.6
109.02979	1.3
111.00950	1.3
111.04533	1.2
112.98834	6.2
113.02483	7.5
113.06070	1.3
115.04024	5.2
115.56252	1.0
121.06619	1.4
123.08186	1.8
125.02518	1.3
125.06104	77.1
126.05668	0.9
126.06459	3.7
131.03520	11.2
133.06641	1.0
137.06110	0.9
137.09819	1.1
139.00468	1.0
151.07683	1.2
157.08722	100.0
158.09052	5.0
159.03004	1.6
161.04573	13.6
161.75935	0.8
173.08194	1.0
175.11272	4.2
177.12837	1.5
179.10809	1.9
193.12376	3.5
194.12520	1.2
195.06691	1.5
197.11835	9.7
203.10799	2.9
221.06691	25.0
221.11740	2.4
222.07124	1.6
225.11328	30.9
226.11658	2.2
233.15465	1.4
237.14780	1.1
250.69072	1.0
251.16481	11.5
252.16949	1.6
261.15073	2.5
277.15024	1.0
279.16000	15.3
280.16348	1.3
289.18152	3.5
305.14023	2.0
309.20709	1.2
315.19699	3.1
317.17612	3.7
321.20724	3.7
333.17261	1.5
334.17783	1.6
337.20071	6.2
343.19266	2.0
354.95764	0.9
365.19794	1.4
381.19180	3.7
434.47693	1.0
435.59045	1.0
459.27487	3.7
539.17218	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	538.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98540	0.1
69.56989	0.6
69.57418	0.5
76.15446	0.1
87.98463	0.2
109.13422	0.1
232.01323	0.1
243.79640	0.2
247.68248	0.1
427.10751	0.1
446.85004	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	538.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45267	0.2
58.07370	0.2
61.98833	100.0
62.98549	0.3
63.99296	0.2
69.55505	0.6
69.55920	1.2
78.25597	0.2
83.97317	0.2
84.76096	0.2
98.19867	0.3
117.14388	0.2
128.19571	0.2
202.15938	0.2
226.77213	0.2
280.21396	0.2
377.39401	0.3
539.25769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.3
59.01385	0.6
60.19491	0.2
61.98833	100.0
63.00386	0.2
70.62692	0.4
70.63080	0.6
84.78252	0.2
87.04575	0.2
93.03497	0.2
98.19952	0.3
101.06115	0.3
111.04545	0.3
125.02539	0.2
125.06122	0.5
137.02510	0.2
149.18874	0.2
151.91138	0.2
155.03485	0.2
171.10406	0.2
171.94385	0.2
191.05618	0.3
200.88367	0.2
272.35477	0.2
298.28638	0.2
339.11917	0.2
367.15292	0.2
386.05261	0.2
432.85172	0.2
538.28381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93679	0.3
54.97026	0.3
56.67950	0.3
60.99310	15.7
65.00316	0.4
70.18187	1.3
85.51178	0.3
88.98819	100.0
89.99146	1.2
107.01397	0.8
117.78247	0.3
119.39439	0.3
125.02470	0.7
150.03297	0.3
151.00409	3.2
151.04047	0.7
163.49934	0.3
177.01942	0.4
178.99940	0.4
191.05634	1.5
217.05110	0.3
285.03995	1.5
303.05115	0.7
449.10785	1.8
539.24908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74791	0.1
55.64877	0.1
57.03450	16.0
58.03772	0.3
59.01382	1.8
61.98832	2.2
65.00321	0.2
68.37958	0.1
68.39516	0.1
69.94574	0.4
69.94979	0.4
71.01375	0.5
72.99331	0.2
73.02941	0.2
75.00896	0.3
81.03455	0.4
83.01354	0.2
85.02930	0.1
87.04454	0.1
88.98812	0.6
89.02441	0.2
95.01402	0.2
98.19950	0.2
99.04533	13.6
100.04848	0.4
101.02454	4.2
124.01642	0.2
125.02464	11.0
126.02764	0.4
137.02472	0.2
143.03505	0.6
161.04579	0.2
189.09152	0.2
190.02811	0.2
203.03503	4.7
204.04282	9.8
205.04747	0.8
205.09317	0.1
217.05086	0.2
217.08702	0.3
218.05853	1.0
233.08192	100.0
234.08528	8.2
247.09860	0.2
275.09201	0.8
305.08911	0.7
377.12469	0.3
395.13397	0.3
437.14603	0.2
479.31897	0.2
539.17474	0.9
539.24707	0.3
540.18005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	11.7
59.01379	7.0
61.98832	65.1
67.16805	0.3
71.01393	1.0
71.57639	0.4
73.02947	1.8
77.03977	0.4
81.03461	0.4
83.01408	0.5
99.04530	11.1
100.04844	0.5
101.02451	4.7
105.03468	0.9
107.01368	0.4
113.02440	0.4
114.36823	0.3
119.05060	0.3
121.03001	0.3
121.67667	0.3
123.04536	1.0
125.02472	3.0
125.06097	0.8
143.03511	0.5
149.02437	2.0
153.06000	0.3
159.63420	0.3
161.02435	0.8
161.04581	23.3
162.04984	0.7
163.04010	1.0
173.06085	0.7
175.04021	0.9
177.39784	0.4
191.03506	0.6
199.04013	0.8
200.31583	0.3
203.05602	0.8
216.00644	0.4
216.02591	0.3
217.05038	9.4
218.05836	14.9
219.06372	1.5
230.05931	0.4
231.10353	0.4
232.07324	1.1
233.08246	2.0
243.02956	3.4
245.08221	0.9
247.09750	36.7
248.10130	3.7
257.08264	1.5
258.05130	0.3
259.09677	0.4
261.04034	7.9
263.07709	7.0
264.07993	0.5
273.07547	0.6
275.09238	100.0
276.09589	9.1
278.07797	0.4
287.09244	5.3
287.97946	0.3
288.09561	0.9
305.10324	19.4
306.10803	1.9
317.10239	0.9
329.10272	0.4
335.11139	0.4
341.10406	0.8
359.11362	1.0
377.12408	3.4
377.20322	0.4
395.13486	31.4
396.13794	3.9
437.14539	12.8
437.20584	0.7
438.14996	1.7
469.14105	0.3
477.10324	3.5
477.17645	2.0
478.18213	0.3
539.17719	4.9
540.18011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.74184	0.8
86.61783	0.2
87.16021	0.2
98.74876	0.2
110.08466	0.3
115.74154	0.2
164.83665	0.2
182.15451	0.2
205.85710	0.3
221.51605	0.2
285.32263	0.2
341.54758	0.2
475.27524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58184	0.2
61.98836	100.0
68.66580	0.2
69.47289	1.6
69.47695	0.5
80.19693	0.2
106.17410	0.2
172.48947	0.2
216.44827	0.2
239.36449	0.2
475.27170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27559	0.1
53.93817	0.1
59.01360	0.7
61.98830	100.0
62.30238	0.1
62.98533	0.2
68.10813	0.1
69.48771	0.7
69.49197	0.4
72.61500	0.1
78.95898	0.2
83.01452	0.1
83.05035	0.1
85.24174	0.1
88.98825	0.1
93.03465	0.3
98.19804	0.2
111.04530	0.2
137.02481	0.2
155.03555	0.1
209.12022	0.1
240.87767	0.1
275.16296	0.2
383.24539	0.2
405.75800	0.1
522.35663	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	538.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.99265	0.2
71.18568	0.3
85.90432	0.2
97.06627	0.2
99.87982	0.2
109.36374	0.2
135.84604	0.2
183.28650	0.2
253.10793	0.2
265.14557	0.2
289.21631	0.2
332.51251	0.2
410.57623	0.2
475.27066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47271	0.2
56.04803	0.2
61.98834	100.0
62.98541	0.4
64.08817	0.2
65.88831	0.2
70.59309	0.7
74.15304	0.2
97.06617	0.4
101.06103	0.5
102.10565	0.2
118.53586	0.2
123.62423	0.2
139.04062	0.3
151.11255	0.2
190.61107	0.3
265.14499	0.5
293.14059	0.4
475.27103	1.1
535.31476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46221	0.4
55.01876	0.8
57.03455	3.1
58.00592	0.7
58.12345	0.4
59.01381	15.5
61.98832	6.5
69.03474	0.9
71.01385	18.5
71.05070	0.9
71.05443	0.4
72.99308	1.3
73.02954	2.2
75.00890	0.5
81.03459	0.5
83.01402	2.1
83.41302	0.4
85.02960	4.1
87.00892	3.2
88.28918	0.4
88.98820	2.8
89.02457	3.8
91.04003	0.5
95.01431	0.8
97.02972	0.7
99.00897	1.1
99.04536	0.6
101.02448	6.0
111.00868	0.5
112.01699	0.8
113.02474	4.2
113.09772	0.9
119.03541	1.0
123.50258	0.4
124.01671	1.6
125.02454	2.9
139.11349	0.4
143.03514	0.7
161.04538	0.5
174.82239	0.4
191.05595	1.0
221.19116	19.6
222.19443	2.0
227.10789	0.4
237.18791	0.5
239.20161	1.4
241.14436	0.6
243.03015	0.5
257.21243	1.0
265.18076	14.1
266.18457	1.2
281.21213	0.4
283.19150	18.1
284.19543	1.6
297.20691	0.7
301.20200	20.6
302.20520	2.4
315.21841	0.9
315.25241	0.5
325.20157	1.3
333.90347	0.4
343.21313	1.6
357.20517	1.0
375.23593	1.3
375.27914	0.8
427.23264	1.6
445.24448	19.7
446.24680	2.8
447.09061	1.4
463.25470	49.2
464.25790	6.6
477.30606	0.6
537.28918	100.0
538.29254	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	537.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46221	0.4
55.01876	0.8
57.03455	3.1
58.00592	0.7
58.12345	0.4
59.01381	15.5
61.98832	6.5
69.03474	0.9
71.01385	18.5
71.05070	0.9
71.05443	0.4
72.99308	1.3
73.02954	2.2
75.00890	0.5
81.03459	0.5
83.01402	2.1
83.41302	0.4
85.02960	4.1
87.00892	3.2
88.28918	0.4
88.98820	2.8
89.02457	3.8
91.04003	0.5
95.01431	0.8
97.02972	0.7
99.00897	1.1
99.04536	0.6
101.02448	6.0
111.00868	0.5
112.01699	0.8
113.02474	4.2
113.09772	0.9
119.03541	1.0
123.50258	0.4
124.01671	1.6
125.02454	2.9
139.11349	0.4
143.03514	0.7
161.04538	0.5
174.82239	0.4
191.05595	1.0
221.19116	19.6
222.19443	2.0
227.10789	0.4
237.18791	0.5
239.20161	1.4
241.14436	0.6
243.03015	0.5
257.21243	1.0
265.18076	14.1
266.18457	1.2
281.21213	0.4
283.19150	18.1
284.19543	1.6
297.20691	0.7
301.20200	20.6
302.20520	2.4
315.21841	0.9
315.25241	0.5
325.20157	1.3
333.90347	0.4
343.21313	1.6
357.20517	1.0
375.23593	1.3
375.27914	0.8
427.23264	1.6
445.24448	19.7
446.24680	2.8
447.09061	1.4
463.25470	49.2
464.25790	6.6
477.30606	0.6
537.28918	100.0
538.29254	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	537.1417
Annotation	5-Methoxyxanthocercin A
Peak:m/z	Relative Intensity
51.56175	0.8
59.01377	1.9
65.24503	0.8
71.01369	0.9
80.34519	0.7
81.03452	1.0
83.05042	4.4
87.00881	1.1
89.02443	1.2
93.03470	7.6
96.44305	0.7
99.04502	1.2
100.83002	0.8
111.00886	4.8
111.04533	14.9
112.04890	1.2
112.44724	0.8
113.02509	1.3
119.05050	8.1
127.04025	1.2
137.02461	1.9
143.03526	0.8
155.03539	13.5
163.04015	10.4
164.04448	0.8
173.04634	1.1
191.05669	2.6
195.06616	1.3
198.04565	1.0
199.04236	9.3
217.05247	5.5
225.98392	0.8
287.05838	4.4
325.62549	0.9
327.08868	1.6
355.08496	1.4
372.09833	1.7
373.09528	59.1
374.09930	5.7
537.14276	100.0
538.14545	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	537.1415
Annotation	5-Methoxyxanthocercin A
Peak:m/z	Relative Intensity
50.05254	0.3
58.40970	0.3
58.89311	0.3
59.01359	0.8
61.01016	0.5
62.36279	0.3
64.03637	0.3
66.02960	0.3
69.03452	0.7
71.01365	0.9
73.02929	0.5
75.00891	2.2
81.03458	1.1
83.01384	0.4
83.05032	4.4
83.76385	0.3
84.05328	0.3
85.02956	1.1
85.89499	0.3
87.00865	1.4
89.02448	0.4
93.03469	8.6
99.00854	0.5
99.04511	1.2
109.02936	1.3
109.03620	0.3
111.00876	2.1
111.04535	15.9
113.02446	1.2
119.05042	12.0
119.05898	0.4
120.05357	0.8
125.02398	0.3
125.72829	0.3
127.04000	0.9
129.01923	0.8
137.02464	2.1
143.03490	1.3
145.02951	0.8
153.03661	0.3
155.03534	12.9
155.04971	0.6
156.03859	0.5
157.28471	0.3
163.02737	0.6
163.04036	10.3
164.04369	0.5
173.04552	2.0
180.33867	0.4
190.06357	0.3
191.05621	2.7
192.05991	0.3
193.06041	0.8
195.03378	0.6
195.05077	6.3
199.04216	8.9
200.04619	0.4
217.05238	6.1
249.83670	0.3
287.05801	5.1
288.06125	0.5
315.05408	0.5
327.09003	1.4
329.06857	0.8
355.08395	0.9
372.09851	1.1
373.09491	60.0
374.09821	5.7
391.10522	1.4
485.27811	0.3
537.14227	100.0
538.14551	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	535.312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10004	0.3
54.12864	0.4
54.54074	0.3
55.01889	0.9
57.03455	1.5
59.01382	53.0
60.01696	0.3
61.98833	6.7
69.39859	4.4
69.40215	0.6
71.01390	9.9
72.99324	1.1
73.02948	5.2
75.00891	5.2
83.01405	2.9
83.70689	0.4
85.02959	6.4
87.00889	1.6
88.98818	1.4
89.02456	1.9
95.01411	1.2
97.06626	0.6
99.00877	1.8
101.02458	11.8
102.02779	0.5
108.91595	0.3
111.00908	1.9
113.02454	4.6
119.03522	0.7
123.04498	0.4
123.08178	1.4
125.02455	1.9
129.01981	1.0
135.04594	0.4
144.62985	0.4
150.41406	0.4
151.00371	0.9
151.04002	0.5
159.03017	1.3
161.04573	1.3
171.13879	0.6
175.41838	0.4
191.05623	1.0
214.02682	0.5
224.96207	0.4
227.03459	0.7
228.04254	0.5
229.05077	0.5
229.08766	0.9
240.04326	0.5
241.05087	0.5
242.02219	3.3
243.02925	1.0
245.04576	0.4
255.02988	3.5
256.03790	6.8
257.04443	3.0
259.02469	1.4
267.02856	0.7
269.04404	0.7
272.03134	0.8
273.04047	7.5
274.04428	0.8
277.03525	0.7
277.21689	2.4
285.04050	10.0
286.04794	7.3
287.05307	1.0
288.02655	0.9
295.22720	1.6
295.25793	0.4
304.05814	2.8
326.48407	0.4
355.11859	5.0
356.12051	0.9
362.19513	0.9
373.12878	8.2
373.25784	0.6
374.13364	1.1
397.12991	1.4
418.09146	1.0
437.93744	0.4
439.26797	1.8
448.10559	0.9
449.10861	2.4
450.10614	0.5
457.28247	3.1
466.11081	0.5
475.29041	2.1
517.17145	1.6
517.29840	0.4
535.17975	2.5
535.31207	100.0
536.18408	0.8
536.31610	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	536.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98832	100.0
62.98536	0.2
70.44302	0.4
71.01393	0.3
83.22463	0.1
85.02984	0.1
89.02477	0.1
90.51083	0.1
93.03484	0.2
113.02474	0.2
135.04601	0.2
158.21819	0.1
191.05702	0.3
196.81805	0.1
198.49333	0.1
241.32281	0.1
311.09604	0.1
431.99414	0.1
476.15512	0.2
536.26801	0.1
536.36853	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	536.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17572	0.3
59.01384	1.4
61.98832	100.0
62.99257	0.4
71.72940	0.6
128.03561	0.5
151.43050	0.5
191.05693	0.7
210.86630	0.4
216.53268	0.4
223.50183	0.3
241.99747	0.4
297.22662	0.4
326.07886	0.5
327.08704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
60.99310	14.9
71.12782	0.4
84.05695	0.4
88.98818	100.0
89.99159	1.1
91.36105	0.4
96.69164	0.5
98.20607	1.6
99.23161	0.4
107.01405	1.5
109.02966	0.6
114.31989	0.4
121.02958	1.0
151.00415	6.5
163.00380	1.5
178.10356	0.4
178.99893	3.6
182.67250	0.4
227.03539	1.0
229.04922	0.8
243.03026	2.0
245.04500	1.1
254.02298	0.8
254.70615	0.5
255.02992	8.2
256.03336	0.8
271.02463	15.4
272.03006	1.8
283.02557	0.9
300.02771	33.6
301.03510	29.2
302.03870	2.7
447.09344	60.9
448.09683	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	535.306
Annotation	Dihydrovitixanthin
Peak:m/z	Relative Intensity
69.52776	4.2
119.04180	0.5
119.05035	1.9
121.02936	1.3
145.02966	15.5
145.06561	0.6
146.03326	1.1
149.06122	0.6
157.06647	0.5
161.48628	0.5
163.00410	0.9
185.06154	1.1
186.53239	0.5
187.07672	1.2
189.01906	0.7
199.04134	0.6
203.07031	0.7
212.04796	2.9
213.05478	0.7
217.05301	0.7
228.04225	1.0
231.06577	3.9
232.07126	0.6
238.06284	0.9
239.07130	0.7
241.05052	11.5
242.05788	2.5
253.04999	2.0
255.06631	2.0
265.05048	1.4
266.05762	1.1
266.09314	0.5
267.06635	6.9
281.11801	3.2
295.09717	2.4
309.11322	39.5
310.11713	6.4
323.12762	1.8
339.12357	2.0
345.13583	1.3
375.23267	0.7
398.17429	0.9
405.16861	0.6
407.18655	6.3
409.20572	1.0
411.18054	3.8
423.18106	27.7
424.18546	4.5
451.21323	1.7
465.22906	1.5
466.23337	2.8
467.24106	0.9
535.30579	100.0
536.30902	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	535.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98816	0.9
70.09032	1.8
70.09446	0.9
70.46992	0.5
71.72134	0.6
107.05067	0.7
109.06572	0.7
119.05053	1.4
121.02900	0.9
123.00951	0.9
138.21902	0.5
145.02969	11.5
165.01982	2.1
171.08211	1.0
177.01930	1.7
177.09201	0.7
201.09146	0.5
219.06619	1.5
220.07234	0.6
225.05461	0.6
226.06392	1.7
228.04214	0.7
231.06635	1.1
233.08153	3.8
241.04997	3.2
242.05785	0.6
245.08101	3.0
247.09805	0.6
253.05061	1.8
254.05788	1.2
255.06635	5.2
256.06894	0.8
267.06628	1.9
275.09225	1.2
279.13910	1.2
281.08261	0.9
295.09763	4.2
296.10437	0.6
297.11334	4.6
298.11807	0.5
309.11337	10.7
310.11661	1.0
311.12924	3.0
318.14798	3.1
323.12885	23.6
324.13156	2.9
327.12274	1.0
339.12317	1.4
349.21628	2.5
353.13953	2.3
395.18439	3.1
396.19247	1.1
405.16971	2.0
411.18176	1.8
423.18124	15.2
424.18570	2.5
451.21033	0.8
465.23129	0.8
466.23389	1.9
535.30615	100.0
536.30963	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	535.3064
Annotation	Dihydrovitixanthin
Peak:m/z	Relative Intensity
57.03446	1.1
59.01390	0.3
61.98840	0.9
67.16384	0.2
71.06246	0.7
75.85548	0.2
79.01913	0.4
79.05521	0.4
87.94309	0.2
101.04026	0.3
107.04999	0.4
109.06605	0.6
119.05027	2.0
121.02972	0.9
125.06116	0.4
133.06596	0.4
143.05048	0.5
145.02972	13.7
145.06583	0.7
146.03304	0.7
146.54366	0.3
157.06638	0.6
161.02463	0.3
161.06097	0.3
163.00418	1.2
163.07596	0.5
169.06544	0.4
175.07573	0.4
177.01927	0.4
185.06146	0.7
187.07652	0.9
195.08063	0.3
199.04024	0.5
200.04811	0.4
203.07089	0.3
211.11279	0.6
212.04826	2.6
213.05559	0.7
217.04994	0.4
226.06287	0.6
227.03474	0.8
228.04337	1.2
229.04968	0.5
231.06644	4.3
232.07129	0.3
238.06390	0.6
240.04326	0.8
241.05083	9.5
242.05690	1.9
245.08163	0.6
252.04425	0.3
253.05066	2.9
254.05711	0.3
255.06679	1.3
265.05014	1.4
265.12296	0.7
266.05710	1.3
267.06610	3.5
273.11273	0.4
279.06812	0.5
281.08414	0.7
281.11850	3.3
282.12207	0.3
293.08218	0.3
295.09763	3.0
296.10461	0.7
297.11145	0.5
297.18640	0.4
299.12955	0.4
307.09705	0.4
309.11340	38.9
310.11710	5.6
321.11328	0.7
323.12842	2.6
323.20203	0.6
324.13089	0.4
329.14069	0.9
330.14011	0.3
331.15411	0.6
339.12457	1.5
345.13324	0.5
347.12796	0.7
349.14273	0.4
351.12128	0.3
351.16022	0.6
353.14236	0.3
365.14017	0.8
375.23251	0.8
388.18729	0.3
389.17462	0.4
397.16437	0.5
398.17484	0.4
405.17300	0.4
407.18661	10.5
408.18750	1.6
409.16000	0.5
409.20676	0.5
411.18127	3.1
412.18628	0.5
423.18103	21.5
424.18445	3.8
449.23514	0.4
451.21234	1.2
465.22696	1.1
466.23694	2.8
467.24033	0.7
491.31595	0.7
535.30615	100.0
536.30957	22.9
536.39685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2909
Annotation	Glucodigitoxigenin
Peak:m/z	Relative Intensity
51.03367	0.6
57.03449	8.0
59.01381	12.3
61.98832	100.0
69.03508	0.7
69.54187	3.9
69.54604	1.4
71.05031	4.0
75.00869	0.7
83.05038	0.8
85.02961	12.5
85.03448	1.1
86.94298	0.6
87.04527	16.1
95.05054	1.3
99.08168	9.8
101.06097	14.8
101.06747	1.0
104.45116	0.5
107.05048	0.8
109.06602	0.7
111.04583	0.6
123.08176	0.9
125.06119	1.3
125.09748	3.5
131.08759	0.8
137.06033	0.6
153.12909	1.5
163.11331	0.6
165.09267	0.7
167.10797	2.5
173.09767	1.2
175.11327	1.2
177.09222	0.9
185.09758	0.6
191.10753	0.7
201.90562	0.6
215.14421	0.7
229.16019	1.5
235.09953	0.6
243.13838	1.1
261.14908	1.5
271.16995	3.9
284.55664	0.5
285.18646	1.8
287.20294	0.7
303.19641	1.6
313.06131	0.6
315.19690	1.1
329.24756	1.0
355.22742	11.6
355.26666	1.0
356.23178	1.9
373.23849	41.4
374.24173	6.4
430.21991	0.6
431.28174	1.7
475.27121	4.2
535.29572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3061
Annotation	Dihydrovitixanthin
Peak:m/z	Relative Intensity
50.62255	0.2
57.03447	2.2
59.01368	0.4
61.98824	0.9
65.00315	0.3
70.54635	0.2
71.49260	0.3
71.49602	0.4
93.03485	0.3
101.06087	1.0
109.02919	0.3
109.06613	0.4
119.05031	2.2
121.02957	1.2
131.05067	0.3
133.06625	0.7
135.04486	0.2
137.02451	0.7
143.05078	0.5
145.02972	12.2
145.06624	0.7
146.03296	0.9
149.02426	0.3
149.06094	0.4
161.02414	0.3
163.00356	0.6
163.07715	0.3
165.01930	0.4
169.06604	0.5
175.00383	0.4
177.01947	0.4
177.09204	0.8
185.06042	0.3
187.07625	0.5
189.02003	0.5
191.03624	0.2
197.06143	0.3
201.09164	0.3
209.09593	0.3
211.11278	0.8
212.04810	1.4
217.05086	0.5
223.07687	0.3
225.05690	0.3
226.06363	1.2
227.03554	0.5
228.04419	1.2
229.04967	0.3
231.06654	2.1
240.04369	0.4
241.05061	7.6
242.05771	2.4
245.08195	1.6
251.10852	0.4
253.05066	2.3
253.08591	0.4
254.05765	0.6
255.06639	3.5
255.13805	0.3
256.07043	0.5
265.05075	0.8
265.12338	0.5
266.05832	0.7
267.06625	4.9
268.06967	0.5
279.14099	0.3
281.08545	0.4
281.11874	1.8
282.12521	0.3
295.09778	4.9
295.13205	0.4
296.10223	1.0
297.11282	0.9
297.18588	0.4
309.11331	19.8
310.11743	3.0
321.11298	0.5
323.12897	10.7
323.20215	0.9
324.13309	1.5
328.13004	0.3
329.13992	0.5
331.15332	0.4
333.13712	0.3
335.20251	0.4
339.12360	1.4
340.12741	0.5
341.14105	1.3
345.13531	1.5
347.12622	0.4
351.16034	0.9
353.14053	1.7
354.14221	0.4
365.14038	0.8
370.17441	0.3
375.23138	0.8
379.18805	0.3
380.19940	0.3
383.19061	0.3
389.17337	1.3
397.16672	0.3
398.17331	0.9
405.16919	1.1
406.17371	0.4
407.18649	8.5
408.18982	1.4
409.20355	4.1
410.20459	0.7
411.18082	3.6
412.18509	0.7
419.20648	0.6
423.18069	28.0
424.18369	5.2
433.20682	0.4
449.23090	0.3
451.21088	1.4
465.22711	1.3
466.23483	3.4
467.24112	0.7
491.31708	1.5
492.32220	0.4
535.30603	100.0
536.30945	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	535.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01378	100.0
60.01713	1.3
61.98831	1.4
62.74350	0.1
68.65124	0.1
69.71399	0.7
69.71808	0.4
75.81268	0.2
76.52657	0.2
78.95931	0.3
87.04545	0.6
94.31948	0.2
101.37611	0.2
111.04498	0.2
152.99606	0.5
161.62971	0.2
209.11897	0.3
237.11670	0.1
253.10863	0.3
271.07086	0.2
321.17252	0.3
347.15469	0.2
417.19257	0.3
535.17224	0.2
535.25458	0.6
536.27039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2907
Annotation	Glucodigitoxigenin
Peak:m/z	Relative Intensity
51.04458	0.7
51.08931	0.7
51.30937	0.7
56.81974	0.7
57.03445	4.8
59.01087	1.2
59.01376	20.5
61.98565	0.8
61.98831	10.0
69.57567	5.9
71.05035	4.9
75.00875	6.8
83.05006	1.9
85.02953	13.9
87.04518	0.9
88.98820	1.3
95.05029	1.7
99.08176	8.3
99.08811	1.2
101.05433	1.1
101.06093	19.8
107.05042	1.3
109.06599	1.1
121.06579	1.5
121.34782	0.7
123.04514	1.1
123.08182	1.4
125.09706	2.2
136.05280	1.4
137.06097	2.2
144.05750	0.7
145.02968	1.9
147.08153	0.9
149.09712	1.2
150.06874	1.3
153.12860	1.1
158.07300	0.9
159.08160	2.7
161.06055	1.3
163.07660	15.4
165.09256	1.1
167.10802	3.3
173.09723	1.2
177.09215	1.4
182.05865	2.8
189.12827	0.7
191.10779	1.4
198.07895	0.7
228.11609	1.4
229.12418	0.8
231.13930	0.9
233.15422	1.5
243.13953	7.1
247.13400	2.5
253.10797	1.0
261.14899	6.6
262.15616	3.7
271.17017	2.7
273.14734	0.8
287.16602	1.0
289.18106	1.6
293.62476	0.7
337.21478	0.8
355.18762	1.4
355.22751	10.9
356.23120	2.1
373.23846	100.0
374.24176	12.8
377.19870	1.2
399.21585	1.1
417.22736	4.0
431.27945	4.8
475.16556	1.6
475.26898	3.5
535.33026	1.5
536.34003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76450	0.5
58.00587	0.7
58.46321	0.6
59.01377	16.2
61.98834	12.2
69.11639	0.5
70.85665	2.0
71.01386	8.3
72.99342	0.6
83.01370	0.7
85.02966	2.2
87.00883	1.1
87.83077	0.6
89.02451	7.6
93.03466	0.9
95.01429	0.7
101.02454	5.7
101.03107	0.7
103.00385	0.5
108.02197	0.8
109.02936	0.5
110.00096	0.5
111.00928	0.6
113.02464	3.0
115.06329	0.5
119.03555	3.2
123.00899	3.1
123.04543	1.5
124.01675	6.9
125.02445	1.7
137.02434	1.7
138.03233	1.2
139.00409	0.9
139.04045	4.4
140.04449	0.5
149.02499	0.9
149.04601	0.8
149.06090	1.6
151.07613	0.8
152.01141	0.7
153.01956	5.7
161.02472	0.8
161.24957	0.7
163.00377	2.6
163.03999	1.6
163.07649	1.6
165.09187	1.2
173.06091	1.0
175.04063	0.6
177.01891	0.9
177.05531	0.9
177.09204	1.5
178.02754	1.8
178.99873	0.8
179.07185	2.8
183.04510	1.2
188.04796	0.6
189.05571	0.8
190.99861	1.0
191.05591	2.9
191.07173	4.4
192.00630	1.2
192.07939	1.7
199.03969	1.2
201.05623	0.9
203.07150	0.9
205.01447	1.2
207.02544	0.6
207.06618	4.3
207.10262	2.8
211.04018	1.4
215.03488	2.1
216.04117	0.7
217.04955	1.4
219.06526	1.0
220.07349	2.0
227.03574	5.3
228.04176	3.4
229.05070	0.8
233.04492	0.9
233.08130	0.9
234.05284	3.3
235.06165	3.2
235.09700	6.9
242.02129	0.8
243.02956	7.3
244.03748	4.6
245.04535	1.8
249.07674	1.6
255.02969	100.0
256.03693	55.3
257.04321	6.9
258.05038	0.9
260.03119	0.8
261.04080	2.0
267.02945	4.5
268.03604	2.8
269.04520	11.3
270.04782	0.9
273.04034	14.9
274.04276	1.8
275.05609	1.4
276.06406	3.1
283.06058	0.6
285.04037	3.6
286.04810	51.4
287.05344	7.0
288.02719	2.4
289.03088	0.7
303.05124	1.7
305.06580	1.9
311.09171	1.4
315.04990	0.7
330.11005	0.8
355.11859	66.2
356.12177	8.2
358.10516	1.7
360.73291	0.7
362.07220	0.6
373.12918	32.4
373.25906	1.7
374.13144	4.3
435.09332	7.5
436.09753	1.1
448.09995	2.4
449.10602	1.1
466.11136	15.1
467.11581	2.1
491.28934	0.8
520.15576	1.2
520.22455	0.8
535.18091	62.7
536.18512	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	535.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84121	0.6
58.00626	0.6
59.01380	19.5
59.01669	1.2
61.67056	0.6
61.98834	15.0
71.01385	11.3
72.99303	0.8
73.02952	1.3
75.00877	0.7
81.52081	0.6
83.01412	0.9
85.02943	3.3
89.02458	9.9
93.03477	1.4
95.01404	1.7
97.06625	1.1
99.00863	0.8
101.02444	6.1
108.02209	1.8
110.00087	0.7
113.01814	0.7
113.02437	3.8
119.03532	3.0
123.00911	5.5
123.04571	2.3
124.01688	15.0
125.02478	1.8
132.55536	0.7
135.04555	0.8
136.01683	1.5
137.02464	3.7
138.03236	3.2
139.00418	1.3
139.04036	8.9
145.06509	0.7
149.02475	2.4
149.04602	0.7
149.06113	2.5
150.03212	0.8
151.00410	1.1
151.04074	0.9
151.07693	2.4
152.01122	1.8
153.01947	12.6
155.03531	1.5
155.44193	0.6
158.03784	0.9
159.04616	0.7
161.04639	0.8
162.06914	1.0
163.00406	5.5
163.04022	2.4
163.07701	3.6
164.01134	1.4
165.01813	0.7
165.09241	2.5
173.06087	1.5
175.04008	0.6
177.01964	3.2
177.05576	0.8
177.09225	1.6
178.02664	4.1
178.99908	1.5
179.05717	1.1
179.07112	5.0
180.00641	1.0
180.07375	0.6
183.04546	1.0
187.03963	1.0
189.05626	1.3
190.99919	1.8
191.03592	0.9
191.05583	2.5
191.07176	7.9
192.00690	1.3
192.07858	3.8
199.04051	0.8
201.05634	1.6
202.02675	0.7
203.07141	3.2
205.01480	4.5
205.08707	1.3
206.05824	1.7
207.06622	8.2
207.10223	6.6
208.06973	0.7
208.10623	0.9
209.11975	0.8
211.03990	1.2
215.03473	1.8
217.04991	3.3
218.02246	0.9
219.06660	2.5
220.07397	2.6
227.03540	6.1
228.04152	3.4
229.05034	1.0
233.04543	1.1
233.08264	1.8
234.05286	7.2
235.06137	8.4
235.09731	12.6
241.05116	1.1
242.02219	1.7
243.02998	7.8
244.03662	5.0
245.04443	1.1
249.07657	2.2
250.08472	1.0
255.02980	100.0
256.03705	52.3
257.04333	6.9
258.01715	1.6
260.03159	1.5
261.03983	3.6
267.03027	4.4
268.03818	3.7
269.04547	10.7
270.04974	1.1
271.06128	1.1
273.04028	13.8
274.04468	1.3
275.05563	3.0
276.06409	7.4
277.06653	1.1
283.06070	1.4
285.04001	4.3
286.04822	49.0
287.05414	7.8
288.02768	2.3
297.04034	1.4
303.05051	1.8
305.06851	1.3
311.09253	2.2
312.09995	0.8
327.12369	1.1
330.10941	1.2
344.39877	0.7
355.11880	69.0
355.19006	1.8
356.12192	10.3
358.10623	3.6
373.12936	64.9
373.25735	1.8
374.13223	8.3
380.41019	0.7
424.59979	0.7
435.09329	8.8
438.11356	0.7
448.10168	2.8
449.10583	1.3
466.11139	15.4
467.11401	2.7
491.28452	0.7
492.16406	1.0
514.15436	0.8
520.15692	3.7
520.22522	1.4
521.15967	0.9
535.18079	71.3
536.18433	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	535.1609
Annotation	3'-Methoxypannellin
Peak:m/z	Relative Intensity
59.01385	6.6
61.98828	15.7
63.99906	0.9
71.71701	1.6
72.99321	1.6
125.02474	1.5
125.06089	1.1
132.84581	1.0
139.06299	1.0
151.00435	1.3
154.29436	1.2
158.03711	1.2
172.51822	1.1
191.05582	1.4
193.08685	1.1
209.08282	1.4
209.11882	1.4
214.02597	2.6
221.08231	1.8
226.02725	4.5
229.01447	2.7
230.02219	2.8
233.08383	1.1
235.09721	1.3
237.93692	1.3
239.03432	3.6
241.01405	1.6
242.02237	27.2
243.02887	9.6
258.01758	3.3
259.02048	1.3
271.02466	31.8
272.02921	3.5
279.16122	2.2
281.08066	1.5
282.01749	16.8
282.04855	1.4
283.02490	68.6
284.02820	8.2
285.03867	1.7
293.04407	1.6
295.02634	2.4
297.04306	2.1
297.07675	10.1
307.06155	11.5
309.04218	2.4
309.07645	18.5
310.04691	1.7
310.07889	2.5
311.05652	2.6
323.05557	1.1
325.07199	100.0
326.07922	80.1
327.08542	14.9
347.22714	1.1
463.26913	1.6
475.26733	5.8
517.15234	1.6
535.16412	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	535.1819
Annotation	Phellavin
Peak:m/z	Relative Intensity
51.02618	0.4
56.98378	0.4
57.03407	0.7
58.00578	0.5
59.01375	10.0
61.98832	13.4
66.27912	0.4
69.03407	0.7
69.86587	3.0
71.01391	6.1
72.99328	3.8
73.02923	1.1
78.95889	0.5
83.01347	0.8
83.04996	0.5
85.02917	1.9
87.00871	0.6
88.98805	0.4
89.02451	5.2
91.06382	0.4
93.03443	0.8
93.07085	0.4
95.01373	1.3
97.06560	0.9
98.19799	0.4
99.00882	0.9
101.02436	3.7
101.04466	0.4
108.02171	2.5
109.02927	0.6
110.00099	0.9
111.00872	0.6
113.02467	1.9
116.92831	0.5
119.03517	2.1
119.05003	0.5
121.02978	1.5
121.06586	1.0
123.00899	6.6
123.04544	5.7
124.01678	17.5
125.02512	2.3
130.08673	0.4
130.55283	0.5
131.03500	0.6
133.06575	1.1
135.04483	0.8
135.08162	0.7
137.02403	0.9
137.99651	0.6
138.02353	0.4
138.03255	3.6
138.99640	0.3
139.00407	3.7
139.04031	13.3
140.01131	1.1
140.04370	0.5
145.06633	0.6
146.03773	4.6
147.04414	0.5
149.02357	0.6
149.06073	1.3
150.03183	0.7
151.03996	1.4
153.01956	11.1
154.02435	0.5
155.03453	0.8
158.03754	0.9
159.04510	0.6
161.02441	3.0
161.06052	0.9
163.04083	2.8
163.07635	1.6
164.01085	0.4
164.04689	0.7
165.05493	1.2
167.10757	1.7
173.06087	4.9
174.03242	5.1
174.06761	0.8
175.03909	0.9
175.07666	7.4
175.48022	0.4
176.04778	2.2
176.08026	0.7
177.01926	1.6
177.05588	28.8
178.02678	1.2
178.05965	1.6
179.03499	0.9
179.05710	0.4
179.07130	2.3
188.04778	0.4
189.01904	1.5
189.05574	4.8
190.02672	1.2
190.06209	0.9
191.03520	15.3
191.05505	1.5
191.07140	7.3
192.04146	1.9
192.07745	1.2
201.05531	1.4
202.02646	0.6
203.03369	0.6
203.07147	10.5
204.04364	0.6
204.07489	0.8
205.01428	2.4
205.05093	0.9
206.02110	1.2
206.05812	3.0
207.06636	4.4
207.10240	6.0
211.13402	0.5
217.05104	3.3
218.02205	0.7
218.05775	0.5
219.02948	0.5
219.06630	3.1
220.07408	6.0
224.04778	0.8
233.04491	1.2
233.08182	1.2
234.05334	7.2
235.06160	10.4
235.09744	23.3
236.06453	1.0
236.10062	1.4
243.02924	0.7
249.07671	4.7
250.08310	0.7
252.04300	1.5
257.04370	0.5
261.04062	3.7
267.06564	1.6
275.05627	1.3
276.06412	5.2
282.05353	1.1
283.05966	0.6
289.03595	0.6
296.03357	0.8
297.07758	2.8
311.05606	7.5
312.06006	0.9
315.08765	6.2
316.09103	0.8
326.07925	4.2
327.08423	0.7
330.11145	0.7
355.11880	23.4
356.12183	3.1
358.10596	4.7
373.12924	100.0
374.13260	11.3
412.33920	0.5
438.11496	0.7
493.16147	0.4
520.15747	4.9
521.15948	0.9
535.18213	23.4
535.31329	2.9
536.18591	4.7
536.31836	0.6
552.55157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2907
Annotation	Aristophenone A
Peak:m/z	Relative Intensity
55.48449	0.2
57.03443	1.7
59.01383	3.9
61.98838	0.6
68.99827	0.4
69.14751	0.2
70.43850	0.2
75.60864	0.2
78.07315	0.2
79.05522	0.3
83.05051	0.4
85.06655	0.3
101.03941	1.2
104.13053	0.3
107.05035	0.4
109.02973	0.3
109.06635	0.5
113.15218	0.3
116.92886	2.8
117.03493	0.3
119.05078	1.5
121.02980	4.3
125.06127	0.4
135.00847	0.3
143.05046	0.4
145.02974	41.4
146.03346	2.1
147.04561	0.5
151.04021	0.3
157.06543	0.4
158.03716	0.4
159.04494	0.4
169.02953	0.3
173.02451	2.7
174.86137	0.3
175.07639	0.3
185.06049	0.5
186.03220	1.0
187.03954	0.8
189.01880	0.4
195.08168	0.4
197.09674	0.4
199.04010	1.6
199.07503	0.3
203.07213	0.3
205.08810	0.3
209.09708	0.4
209.11720	0.3
212.04796	0.5
213.05563	1.5
214.02791	0.6
214.06342	0.5
215.03436	0.6
218.02213	0.7
227.07152	0.6
233.08128	0.4
239.07166	1.3
241.05011	2.7
241.08716	0.7
242.05865	3.3
249.11395	0.4
253.05243	0.3
253.08681	1.8
254.09282	1.4
255.06602	1.1
255.10101	1.3
265.08505	0.3
265.12354	0.3
267.06613	3.8
268.07043	0.5
269.08154	0.4
275.20264	0.6
279.10413	0.3
279.14072	0.3
280.10925	0.5
281.08414	0.3
281.11566	0.5
282.09216	0.3
283.09708	0.5
291.12439	0.4
293.11902	0.3
295.09656	0.4
299.12851	0.7
300.13092	0.3
307.09735	0.9
307.12949	0.3
308.10657	0.7
309.07852	0.3
309.11319	1.2
310.11917	0.7
321.11258	0.6
323.12662	1.3
325.14642	0.3
343.26617	0.3
351.12387	1.7
351.16095	0.4
353.13989	0.5
359.18625	0.4
367.15558	0.4
368.16122	0.5
375.16052	0.4
377.17914	0.5
378.14615	0.5
379.15375	0.6
393.17032	1.1
395.14932	2.6
396.15814	3.3
397.16193	0.4
403.15439	0.7
404.16177	0.3
405.17117	0.8
407.18747	0.7
409.16544	3.3
410.16910	0.6
419.22754	0.5
421.16528	19.4
422.16809	2.6
447.21722	0.8
449.19760	6.0
450.19955	0.9
463.21185	1.3
464.22025	9.5
465.22577	1.4
496.20947	0.9
533.29059	100.0
534.29395	23.4
534.41364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48578	1.1
55.00469	1.0
57.03433	1.9
59.01384	25.7
61.98841	1.3
66.24680	1.1
67.39244	1.1
69.61311	3.9
69.61745	5.5
75.71700	1.1
86.74112	1.0
98.20625	2.5
103.67109	1.0
111.04468	1.1
119.04997	1.3
121.02943	1.4
145.02991	16.1
152.72708	1.2
185.06113	1.6
185.36906	1.0
219.13850	2.1
225.31174	1.0
241.05135	5.4
242.05740	3.0
253.05045	2.4
253.08676	1.5
255.06595	1.9
265.05099	1.7
266.05844	2.0
267.06625	13.8
279.06577	1.3
281.08157	2.0
295.09665	1.1
307.09839	1.1
309.11304	8.7
321.11234	3.0
325.10718	6.7
327.12317	1.8
381.17258	1.7
387.16010	1.4
393.17221	1.4
405.17093	37.3
406.17432	5.4
407.18335	1.4
408.46097	1.2
409.16211	1.3
421.16495	5.1
422.16962	1.7
447.21695	2.8
448.27655	1.9
464.22031	2.9
533.29010	100.0
534.29388	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01383	2.1
60.01716	0.1
61.98832	100.0
62.98538	0.3
69.68731	0.8
71.01397	0.8
73.02959	0.1
83.01407	0.1
85.02959	0.3
88.98814	0.2
89.02436	0.6
98.20571	0.2
99.00910	0.2
99.04554	0.7
101.02445	0.7
102.02743	0.1
103.04025	0.1
113.02419	0.2
116.92896	0.1
119.03516	0.2
125.02480	0.5
126.02780	0.2
131.03529	0.1
132.03069	0.2
135.04485	0.1
148.05312	0.2
149.04532	0.2
164.06558	0.1
188.40933	0.1
191.05739	0.2
209.91699	0.1
224.62047	0.1
263.30972	0.1
332.10117	0.1
335.65363	0.1
390.20050	0.1
391.23071	0.1
458.55222	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	533.2908
Annotation	Aristophenone A
Peak:m/z	Relative Intensity
51.34852	0.2
57.03447	1.9
59.01373	3.0
61.98817	0.3
62.87191	0.2
66.95926	0.2
67.64864	0.2
68.99828	0.4
69.63165	1.9
69.63562	0.5
79.05529	0.3
83.01401	0.3
93.03511	0.3
96.20269	0.2
98.20595	0.5
101.03982	1.2
103.83353	0.2
109.02959	0.8
109.06635	0.6
117.03513	0.3
119.05025	1.5
121.02971	5.3
125.06059	0.3
133.06624	0.8
136.98862	0.3
137.09784	0.5
141.07137	0.4
143.05060	1.1
145.02975	44.7
146.03287	2.2
147.04543	0.5
157.06621	0.8
158.03769	0.7
169.02975	0.4
169.06636	0.4
171.08136	0.3
173.02466	1.2
175.07643	0.3
185.06087	1.0
186.03209	1.1
187.03999	1.0
190.02753	0.3
197.06146	0.3
199.04057	1.1
200.67038	0.2
201.05463	0.3
203.07199	0.5
205.15947	0.7
209.09743	0.5
211.11313	0.9
212.04791	0.6
213.05585	0.8
214.02748	1.0
218.02255	1.2
222.91095	0.3
225.05449	0.4
228.04219	0.4
229.04958	0.3
231.13849	0.3
232.03699	0.3
233.11732	0.4
235.07719	0.4
237.09178	0.5
239.07147	1.6
241.05061	1.0
241.08708	0.5
242.05788	0.6
249.11356	0.5
253.05109	0.3
253.06009	0.3
253.08693	3.6
253.11072	0.4
254.09384	1.7
255.06544	0.6
255.10211	1.4
263.10840	0.3
265.08737	0.6
267.06671	1.9
273.22238	0.3
275.20139	0.5
279.10342	0.3
279.13721	0.3
280.11099	0.8
281.08176	0.6
281.11813	0.3
282.08865	0.5
283.09747	0.5
291.12634	0.5
297.11258	0.4
299.12927	0.8
307.09766	0.9
308.10388	0.9
309.11209	1.2
310.11655	0.3
321.11328	0.6
323.12906	0.6
336.26596	0.4
343.15518	0.4
343.26440	2.3
344.26648	0.4
351.12372	1.4
351.16104	0.6
358.18091	0.3
359.18466	0.8
363.12408	0.4
367.15375	0.5
377.17709	1.6
379.15491	1.1
381.12851	0.3
389.19583	0.3
395.14987	1.4
396.15771	3.8
397.16223	0.6
403.15179	0.4
405.16821	1.3
407.18808	0.3
409.16641	3.0
410.16895	0.4
419.22174	0.6
420.22534	0.3
421.16537	13.7
422.16757	2.4
446.21045	0.3
447.21561	1.3
449.19675	5.0
450.20261	0.9
463.21210	1.2
464.21994	9.0
465.22223	1.9
475.26883	0.8
480.43900	0.3
496.20773	1.7
497.21249	0.3
533.29041	100.0
534.29376	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03440	2.0
58.00596	2.4
59.01380	46.4
59.96622	0.5
60.01710	0.9
61.74547	0.5
61.98833	12.9
69.03469	1.8
69.83635	3.7
69.84048	1.0
71.01384	24.1
72.01742	0.7
72.99317	8.5
73.02956	9.7
75.00888	0.9
75.07305	0.6
75.56807	0.5
81.03468	1.6
81.07096	0.7
83.01390	2.5
85.02953	9.6
86.03316	0.6
87.00892	6.4
87.04514	0.8
88.00420	0.7
88.98810	1.9
89.02455	17.4
95.01394	1.6
96.96008	0.8
97.02962	2.0
99.00903	1.3
99.04556	1.2
101.01778	1.2
101.02455	22.8
102.02792	0.8
103.04015	11.9
109.02962	1.1
111.00911	0.7
113.02471	2.6
115.04023	1.2
116.92888	4.0
119.03509	8.0
121.02959	0.6
123.00880	0.7
124.01714	1.5
125.02462	14.8
127.04029	0.9
131.03540	3.8
137.02518	1.0
139.04037	0.9
143.03572	3.3
145.05188	3.0
145.06259	0.7
149.04585	1.2
151.00443	1.2
151.04031	1.5
161.02470	0.9
161.04568	1.5
163.00540	0.6
163.06143	21.3
165.09225	100.0
166.09583	5.6
179.03452	0.8
179.10759	5.2
180.81335	0.6
182.43637	0.7
191.05597	3.3
205.05505	0.7
205.07050	3.4
223.09700	0.9
224.10123	0.8
239.16534	1.2
247.08130	3.3
263.12775	1.4
271.02444	0.7
272.99908	0.7
287.01715	0.7
293.08826	0.7
307.10358	13.7
308.10730	1.2
327.15985	3.9
351.16000	1.2
353.23499	1.4
399.24020	0.8
401.21756	0.7
436.07751	1.4
473.20432	3.9
474.20483	0.8
474.30719	2.5
489.21436	1.1
533.13263	1.3
533.29785	10.4
534.27142	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	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03440	2.0
58.00596	2.4
59.01380	46.4
59.96622	0.5
60.01710	0.9
61.74547	0.5
61.98833	12.9
69.03469	1.8
69.83635	3.7
69.84048	1.0
71.01384	24.1
72.01742	0.7
72.99317	8.5
73.02956	9.7
75.00888	0.9
75.07305	0.6
75.56807	0.5
81.03468	1.6
81.07096	0.7
83.01390	2.5
85.02953	9.6
86.03316	0.6
87.00892	6.4
87.04514	0.8
88.00420	0.7
88.98810	1.9
89.02455	17.4
95.01394	1.6
96.96008	0.8
97.02962	2.0
99.00903	1.3
99.04556	1.2
101.01778	1.2
101.02455	22.8
102.02792	0.8
103.04015	11.9
109.02962	1.1
111.00911	0.7
113.02471	2.6
115.04023	1.2
116.92888	4.0
119.03509	8.0
121.02959	0.6
123.00880	0.7
124.01714	1.5
125.02462	14.8
127.04029	0.9
131.03540	3.8
137.02518	1.0
139.04037	0.9
143.03572	3.3
145.05188	3.0
145.06259	0.7
149.04585	1.2
151.00443	1.2
151.04031	1.5
161.02470	0.9
161.04568	1.5
163.00540	0.6
163.06143	21.3
165.09225	100.0
166.09583	5.6
179.03452	0.8
179.10759	5.2
180.81335	0.6
182.43637	0.7
191.05597	3.3
205.05505	0.7
205.07050	3.4
223.09700	0.9
224.10123	0.8
239.16534	1.2
247.08130	3.3
263.12775	1.4
271.02444	0.7
272.99908	0.7
287.01715	0.7
293.08826	0.7
307.10358	13.7
308.10730	1.2
327.15985	3.9
351.16000	1.2
353.23499	1.4
399.24020	0.8
401.21756	0.7
436.07751	1.4
473.20432	3.9
474.20483	0.8
474.30719	2.5
489.21436	1.1
533.13263	1.3
533.29785	10.4
534.27142	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	533.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33905	0.4
53.65557	0.5
56.40465	0.4
57.03449	1.2
59.01383	3.7
61.98812	0.6
65.00329	0.6
69.03473	0.8
69.59254	3.9
71.01388	2.8
73.02953	0.8
74.02486	0.4
78.95920	1.8
79.95728	0.7
80.02675	0.5
81.03461	8.0
83.01389	2.7
83.05030	0.6
85.02972	3.5
87.00884	0.9
89.02454	1.7
93.03474	2.5
94.07311	0.4
95.01411	1.3
95.05038	8.3
96.96025	23.2
96.96931	2.6
97.02960	4.3
98.19828	0.7
99.00914	0.6
99.04530	4.5
99.08125	0.5
101.02470	1.0
101.06099	1.5
107.01405	0.5
107.05009	0.6
108.02228	0.6
109.02998	3.0
111.04523	2.1
113.02446	1.3
117.03476	2.5
121.02955	0.7
122.03757	0.9
123.00957	0.7
123.04546	6.9
123.08186	2.7
125.02465	23.4
125.06087	5.3
126.02793	1.3
133.02931	0.7
135.04536	5.4
137.02489	4.8
137.09737	1.0
139.04102	2.5
141.09193	0.6
145.03003	0.5
146.03667	0.5
147.04485	0.8
149.02458	1.5
149.06163	0.6
150.03352	0.5
151.00417	0.6
151.04031	1.9
152.01175	0.6
155.03506	2.1
159.04546	0.6
161.02492	2.1
163.00430	0.6
163.04022	1.2
163.07712	0.6
164.04784	0.7
164.08553	1.0
165.01918	1.2
165.05713	0.5
165.07925	0.8
165.09235	9.8
166.02736	2.4
166.09579	0.5
167.03514	42.1
167.07166	1.5
168.03902	2.5
175.04045	1.5
177.01962	1.5
179.03496	2.6
179.10797	10.4
181.08713	1.5
183.10283	0.9
188.04858	0.5
189.01947	2.4
189.09271	0.6
190.02635	0.4
191.03581	2.4
191.05621	23.0
191.10765	0.9
192.06007	1.2
193.08688	0.7
197.04559	6.7
201.09157	0.5
203.03461	0.5
205.01439	2.2
205.08659	1.2
207.10298	3.2
209.08200	25.5
210.08551	1.5
216.00719	0.7
217.01372	0.5
219.03014	4.7
221.04707	1.0
221.08208	8.7
222.08859	1.5
223.09723	2.6
233.08112	0.7
235.09724	2.6
243.02971	1.6
245.04597	0.7
245.08078	0.8
247.09790	0.8
248.06953	1.0
249.07602	1.2
250.08452	0.6
251.09245	100.0
252.09579	9.7
258.18539	0.5
260.03116	0.4
261.04062	3.4
261.06610	0.6
263.09195	4.3
264.09549	0.4
275.09106	2.6
276.29688	0.4
281.10297	25.8
282.10721	2.5
293.10333	2.4
305.10349	1.5
317.10165	0.5
323.11331	0.7
329.08710	0.6
341.06668	8.3
342.07098	1.4
413.14532	67.6
414.14795	9.6
435.09128	1.0
443.15561	25.2
444.15842	4.1
455.15817	1.3
458.31503	0.5
485.16354	0.6
497.16766	0.7
515.17859	2.9
516.17847	0.8
533.12799	1.1
533.18793	8.7
534.19226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
59.01380	9.6
61.98832	14.4
71.01392	5.1
72.99330	0.8
73.02949	2.8
73.73829	0.5
83.01392	1.6
85.02943	3.3
89.02444	3.6
96.96070	0.8
98.20667	1.1
99.00882	1.3
99.04533	0.9
100.06828	0.5
101.02463	4.2
109.02980	0.8
113.02464	2.5
123.04536	0.9
124.01681	1.5
125.02476	1.2
131.03497	0.8
135.01144	0.5
139.04051	1.2
149.02499	0.7
149.04652	1.0
151.00414	1.1
151.04053	0.9
161.02483	0.7
161.04538	1.8
163.00418	0.7
171.04472	0.6
175.04008	0.8
176.01170	1.3
176.07159	0.6
177.01918	0.9
182.46848	0.6
188.04791	1.6
191.03653	0.8
191.05583	1.5
191.77054	0.6
193.35750	0.6
199.03993	2.4
201.05612	0.6
202.99875	2.6
204.00668	2.3
205.01402	0.7
211.04008	0.6
214.02687	0.7
215.03641	0.5
216.04259	0.9
217.05026	0.9
224.77420	0.6
227.03511	3.5
228.04062	0.9
229.01366	2.7
229.04961	1.0
242.02208	2.4
243.02972	43.3
244.03285	3.9
255.02986	20.7
256.03690	4.8
257.00888	1.6
257.04553	3.4
258.01669	21.7
258.04565	0.8
259.02133	1.8
261.03998	7.6
262.04370	1.0
267.03024	4.4
268.03555	0.8
269.00977	1.6
269.04495	0.7
270.01810	0.8
270.05234	2.0
271.02472	35.0
272.03220	29.0
273.03897	6.5
275.01971	0.6
283.02499	18.2
284.03128	7.0
285.04068	9.8
286.04730	3.3
287.02158	0.6
288.02951	1.2
297.03992	3.0
298.04886	0.8
301.03546	44.2
302.04251	21.6
303.05057	6.5
310.08411	2.4
311.09204	10.0
312.09723	0.9
313.03644	3.0
315.05020	4.9
316.05701	0.9
329.10596	0.6
331.04654	2.6
355.11887	1.9
370.10822	0.7
371.07532	1.3
371.11539	6.1
393.02399	1.0
401.25406	4.5
417.07932	0.9
431.09253	0.6
434.08371	4.0
435.07230	6.6
436.07953	4.6
446.08325	1.4
447.09268	1.3
464.09607	100.0
465.09885	12.5
466.07520	1.1
473.14386	5.5
474.14807	1.2
479.31537	0.6
491.12057	2.4
532.27850	0.8
533.17236	3.3
533.29529	8.7
534.17761	0.6
534.30005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43634	0.2
57.03453	0.1
58.91757	0.1
59.01373	1.1
63.53081	0.1
69.03452	0.2
69.78425	1.0
71.01395	0.8
73.02954	0.3
75.62373	0.2
81.03474	0.3
83.05029	0.4
85.02959	8.3
87.00885	1.9
93.03474	3.0
99.00886	0.2
99.04533	0.4
101.17470	0.2
109.02300	0.1
109.02961	0.7
111.04552	0.8
127.04032	2.2
137.02545	0.2
155.03476	0.3
171.03017	0.5
173.04562	0.8
191.05626	100.0
192.05968	4.5
199.28134	0.1
251.42241	0.2
338.68661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47020	0.6
57.03451	0.7
59.01379	100.0
61.98834	3.9
62.43291	0.8
69.56458	6.3
72.99319	0.7
74.05453	0.6
87.04529	0.8
96.95982	0.6
98.19843	1.2
101.06091	1.2
107.23634	0.6
111.04546	1.3
113.06115	0.7
121.75891	0.6
130.84044	0.6
144.72856	0.6
165.05440	0.7
204.10278	0.8
206.04521	0.8
210.56323	0.7
220.09906	0.9
228.06529	0.7
256.13510	0.9
274.14496	6.1
318.13458	3.3
351.13278	2.0
358.20569	0.6
359.21210	2.3
366.28116	2.0
388.21460	1.8
403.20038	29.1
404.20386	4.9
410.27191	2.3
447.26831	1.0
472.26974	6.3
473.26794	1.4
532.30103	3.8
533.29761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01373	4.1
67.01891	0.9
69.03445	0.8
71.01390	2.4
71.71201	0.7
72.99303	0.9
73.02939	0.6
74.68504	0.4
75.00876	0.4
78.95911	0.6
79.95712	0.4
81.03458	0.9
83.01364	0.8
83.05032	0.5
83.20006	0.4
85.02956	11.7
87.00870	2.2
88.04063	0.5
89.02444	1.9
93.03471	5.1
96.20803	0.4
96.96021	8.9
96.96969	1.8
97.02977	0.5
99.04538	0.4
101.02457	1.0
107.05013	0.4
109.02971	7.6
110.03278	0.6
111.04524	1.6
113.02471	0.7
117.03454	1.7
119.03529	0.5
119.39556	0.4
120.99710	0.4
121.02966	1.2
123.04536	4.3
125.02470	0.6
127.04028	1.8
130.08757	1.1
132.50749	0.4
133.02975	1.4
134.03754	0.8
135.04541	23.2
136.04855	1.5
137.02512	0.9
143.03593	0.4
145.02933	0.6
147.04532	2.1
148.05254	0.4
149.02489	0.9
149.06134	0.8
151.03995	2.7
153.01929	0.5
157.13492	1.4
159.04555	0.5
161.02448	2.7
161.18506	0.4
163.04086	0.8
165.09268	1.2
171.02968	0.7
173.04594	3.2
175.03984	1.0
176.01212	0.6
177.01971	6.7
179.03508	12.3
180.03870	0.9
187.03926	1.0
188.04514	0.5
189.01967	11.7
190.02687	2.6
191.05623	100.0
192.05975	4.6
201.01970	0.5
202.57869	0.4
203.03477	1.0
205.01422	2.1
205.05080	0.5
216.00592	2.1
217.01427	4.8
218.02155	0.4
219.03027	5.6
220.03143	0.5
228.00443	0.4
231.02986	2.0
243.02925	0.9
243.12566	2.5
243.17168	0.5
261.04074	2.6
271.09866	0.9
273.00696	0.5
281.04587	1.5
289.07187	1.5
297.07733	0.9
301.03366	0.6
315.08725	5.4
316.09000	0.7
341.06662	35.0
342.06943	4.6
350.39066	0.4
353.08850	2.3
359.07828	1.7
421.07776	0.6
435.09583	0.8
436.06366	0.5
533.12592	11.4
533.19037	1.5
534.12817	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	532.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55262	0.3
56.29361	0.3
57.03447	4.3
59.01375	4.3
61.98831	100.0
63.02395	1.9
65.00314	0.5
70.02998	0.4
71.01383	4.9
71.05034	0.8
72.99308	0.5
73.02955	1.7
83.01379	0.6
83.96873	0.3
85.02981	1.7
89.02479	1.8
91.01904	24.6
92.02232	0.5
98.20618	1.1
99.04536	4.0
101.02460	4.2
113.02456	1.1
116.92851	0.8
117.27141	0.3
123.08152	0.4
125.02492	2.6
130.03409	0.5
131.05077	0.7
135.04535	0.6
146.08237	5.3
147.08173	13.8
148.05318	5.1
148.08498	0.6
161.04526	1.3
163.07660	8.6
164.08102	0.5
165.09212	4.0
179.10802	0.5
191.07152	85.4
192.07498	6.2
195.99973	0.5
208.09738	0.4
209.08194	11.7
210.08519	1.3
217.11961	1.7
218.17244	0.4
227.03581	4.8
257.04123	0.6
266.11047	0.9
268.09988	0.9
269.04337	0.4
271.02570	0.5
277.09195	0.5
277.12253	9.6
278.12448	1.1
285.04013	1.7
297.03992	1.6
327.08646	0.4
339.08902	0.5
339.13852	2.1
340.09497	1.4
340.13565	0.6
370.10547	1.3
399.23990	1.0
400.24210	1.7
469.20190	21.4
470.20517	3.8
532.15686	0.7
532.28326	4.4
533.16772	7.1
533.29224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	21.0
58.03777	0.6
59.01381	5.3
61.98832	100.0
70.81584	0.6
70.81968	1.0
71.01392	2.4
73.02950	0.8
81.03445	0.3
83.01401	0.5
85.02985	0.8
89.02466	1.1
99.04533	20.9
100.04858	0.6
101.02461	7.8
103.03989	0.5
113.02509	0.7
121.10281	0.6
125.02469	9.6
131.03514	0.5
143.03520	1.7
148.05325	27.3
149.04585	0.6
149.05687	1.1
161.04572	2.4
163.07666	36.4
164.08006	2.1
165.09253	1.3
181.44322	0.3
195.46420	0.4
203.05676	0.8
243.08803	1.0
245.62483	0.3
261.04169	0.5
268.26193	0.4
325.12881	0.6
330.14569	0.3
358.85184	0.3
367.14050	1.5
385.19617	0.4
407.17273	0.5
413.71356	0.4
469.17151	6.5
470.17734	1.5
531.28308	0.7
532.28845	1.4
533.29681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39056	0.5
57.03446	4.6
59.01373	1.9
59.59596	0.4
61.98831	2.1
67.05511	0.9
68.99815	2.1
71.05043	0.4
78.95918	0.9
79.05553	0.9
81.03455	0.7
83.05051	1.8
85.06603	3.5
87.04525	2.3
95.05033	0.7
97.02968	3.1
97.06609	0.7
98.19776	0.7
107.05046	2.6
109.02966	1.7
109.06585	0.9
111.04534	69.2
112.04845	2.5
121.06615	1.6
123.04523	1.0
123.08195	1.1
125.06099	1.4
127.04066	2.5
129.05626	0.6
133.06625	0.6
135.04527	0.7
135.08188	1.1
137.02432	0.7
137.09724	0.6
139.07732	0.6
147.08131	0.7
149.06136	1.3
149.09747	0.5
152.04756	0.5
153.09232	0.8
155.07129	0.5
161.09702	0.6
163.03963	0.8
163.07602	0.9
163.11266	0.8
165.05586	0.8
165.09236	0.8
173.06030	0.4
173.09717	0.4
175.07643	1.1
175.11243	0.5
177.05655	0.6
179.07121	1.5
187.11263	0.5
189.05565	0.6
189.09251	1.2
190.10016	0.7
191.07195	0.9
191.10828	1.8
192.07793	0.7
193.08720	1.4
195.06842	0.5
198.93484	0.5
201.09297	0.5
203.10785	1.2
205.05037	1.0
205.08672	0.8
206.05812	0.5
207.06601	0.5
207.10199	0.7
208.07336	0.6
215.07344	0.7
215.10796	2.9
217.08783	0.6
218.09468	0.5
219.06656	3.4
219.10355	0.6
221.08109	1.0
226.24873	0.4
231.06670	1.7
231.10265	0.7
231.13850	1.0
233.08150	5.4
234.08870	1.5
235.09714	1.1
236.06807	0.5
243.10219	0.5
243.13907	1.2
245.08188	1.8
245.11833	1.0
246.08896	0.6
247.06036	1.0
247.09750	1.3
255.13817	0.9
259.09787	1.2
259.13315	1.0
261.07791	0.7
261.11246	1.0
261.14905	1.5
263.09378	0.6
263.12918	0.7
271.17059	0.8
273.11819	0.5
273.14890	2.4
275.12805	0.9
275.16461	0.6
283.17004	0.7
285.11420	0.6
285.14987	1.0
287.12924	1.3
289.10721	1.8
289.14136	0.5
290.11234	0.5
291.12305	1.7
291.16061	1.9
292.13248	0.9
293.13980	0.7
301.14487	0.7
303.12335	1.1
305.13892	1.3
313.18036	1.6
315.12543	0.8
315.15945	0.9
317.13959	1.4
317.17761	1.3
319.15283	0.7
325.18051	0.5
329.13928	1.4
331.15689	0.6
331.19208	1.3
333.17044	9.5
334.17548	0.9
343.15442	0.5
343.19141	1.8
346.14136	2.3
347.14798	1.9
348.15820	0.9
359.18658	2.1
361.16580	15.8
361.20007	0.6
362.16913	1.5
371.14810	0.6
373.16525	3.0
373.20526	0.7
374.16800	0.8
374.21194	0.6
375.18134	1.7
383.22406	1.6
385.16306	0.7
385.20413	0.6
386.17038	0.6
387.18054	2.1
387.22214	1.2
388.18466	0.6
399.21689	0.9
401.18924	0.9
401.24008	2.2
402.20258	1.1
403.21591	0.7
411.25677	1.1
415.21216	7.3
416.21393	0.9
427.20517	2.2
429.23206	0.6
443.24350	1.9
445.22314	100.0
446.22574	17.0
446.28381	0.9
455.24448	2.2
456.24777	0.6
457.25912	5.2
458.26337	1.3
462.22723	0.8
471.27814	1.2
497.29065	2.8
498.29379	0.7
499.26895	3.1
500.27460	1.0
501.27908	0.5
513.28510	2.6
514.29321	1.7
531.16040	1.3
531.29608	30.9
532.30109	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	531.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
55.98438	0.6
57.03445	2.8
58.00595	3.4
59.01380	100.0
61.98829	10.6
69.03458	5.4
69.69730	1.7
69.70159	3.0
71.01386	56.3
72.99305	5.0
73.02951	21.2
76.01542	0.6
81.03472	4.5
83.01391	6.6
85.02956	20.2
87.00858	3.1
87.04520	0.6
89.02455	31.5
93.03471	0.8
95.01417	2.6
96.96037	1.6
97.02953	7.8
99.00914	4.2
99.04529	1.5
101.02457	48.2
102.02788	1.4
103.04022	30.0
103.04713	1.5
104.04352	1.0
107.01405	1.1
108.02196	0.7
109.02954	0.9
113.02466	7.5
115.04052	2.9
115.92147	0.7
116.92887	1.5
119.03512	16.3
121.02972	17.4
125.02467	34.7
126.02814	1.7
127.04042	3.3
131.03511	2.7
135.04530	0.8
137.02513	1.2
143.03499	3.8
145.01547	0.7
145.05093	5.9
148.05322	76.0
149.02483	1.1
149.04587	1.4
149.05670	3.9
151.00499	0.9
159.03014	1.8
161.04565	6.4
163.06158	34.5
163.07668	33.4
164.06503	1.7
164.08035	1.6
173.04500	0.7
191.05659	2.1
197.11829	2.8
201.37683	0.7
205.07137	1.8
208.07454	1.9
209.07782	1.7
210.07913	0.6
221.04634	1.2
223.09674	3.2
224.10162	1.6
225.10301	1.8
225.14543	0.6
229.07152	0.7
233.06616	0.9
237.07599	1.0
245.00871	1.4
247.08165	8.3
273.00256	0.7
277.13043	0.7
289.09540	1.0
299.02127	0.8
307.10370	28.8
308.10748	2.2
309.20721	2.7
375.09494	0.7
381.12344	0.8
399.23959	5.3
409.17090	1.7
531.07471	1.6
531.28058	37.3
532.28522	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	531.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03516	2.5
53.06824	2.2
54.59244	2.3
57.03451	6.7
59.01377	9.6
61.98834	31.4
71.71716	3.3
71.72113	2.5
83.05053	2.5
87.04528	100.0
96.95999	2.7
109.06615	3.8
111.00866	2.8
111.04524	8.7
137.02438	12.1
148.57532	2.5
151.04028	5.5
153.01917	4.4
163.04016	4.0
165.01953	28.8
166.02690	15.8
167.03162	2.6
177.05539	2.5
179.03517	15.4
180.14238	2.6
189.09229	3.0
191.07205	16.5
192.07677	3.4
193.08672	3.1
203.07233	3.8
208.03795	3.9
208.41998	2.5
217.05025	3.2
219.06622	20.1
220.07353	11.8
221.08147	7.4
222.08972	5.5
223.06120	3.0
229.08650	7.9
231.10240	3.6
233.08154	6.8
235.06155	7.6
235.09784	9.1
245.08279	4.5
249.07629	4.5
261.07529	3.5
262.08475	24.4
263.09174	8.2
275.12430	2.6
275.81735	2.9
277.10757	6.4
288.10013	3.0
289.14328	4.4
290.11755	6.6
300.13657	9.0
305.10339	17.8
306.11096	53.6
307.11526	7.1
308.12595	3.7
317.13828	4.5
318.14697	29.2
319.15042	6.7
331.15439	6.7
332.12698	10.1
333.17181	6.5
357.17114	11.5
359.18610	9.3
369.20728	63.7
370.20978	7.3
375.18195	14.2
376.15121	11.1
376.19382	14.4
377.19543	2.9
378.16852	4.0
385.06305	2.7
387.21725	12.7
388.18497	5.9
393.15417	6.8
401.19751	8.1
411.21729	5.3
429.22726	4.0
443.24197	4.1
445.22253	67.0
446.22653	20.3
457.26077	30.0
458.26233	8.4
499.26941	17.2
513.28528	5.4
531.29541	97.4
532.30060	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03452	2.1
58.00596	3.6
59.01381	100.0
60.01716	1.5
61.98834	3.3
67.01881	0.4
69.03457	5.9
69.59679	2.2
69.60100	0.7
71.01388	49.5
72.01731	1.1
72.99318	4.0
73.02952	20.4
74.03299	0.5
75.00857	0.3
81.03460	4.4
82.95453	0.5
83.01395	6.0
83.05013	0.4
85.02959	18.4
86.03284	0.5
87.00895	2.9
87.04517	0.8
89.02456	29.7
90.02793	0.4
95.01392	1.7
97.02965	8.4
98.19868	0.6
99.00890	2.6
99.04532	1.3
101.02457	39.3
102.02784	0.6
103.04026	30.3
104.04382	0.6
108.07386	0.3
109.02948	0.5
113.02455	3.6
115.04011	1.3
119.03521	14.2
125.02465	38.0
126.02776	1.4
127.04029	2.8
131.03503	2.3
133.05020	0.4
137.02415	0.4
143.03549	3.9
145.04031	0.4
145.05093	6.4
147.04510	0.5
148.05328	36.0
149.05667	2.3
161.04568	2.7
163.06081	31.8
163.07593	12.3
164.06419	1.3
164.07919	0.8
191.10735	0.4
205.05319	0.3
205.07176	2.2
207.05429	0.4
209.07787	0.6
223.09627	0.9
224.10081	0.7
247.08235	8.0
248.08508	0.6
289.09128	1.4
307.10355	27.7
308.10721	2.5
337.89236	0.3
387.15436	0.4
399.23816	2.4
416.41818	0.3
468.15720	0.3
471.18054	0.4
531.28064	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3529
Annotation	Rubianol b
Peak:m/z	Relative Intensity
58.32860	0.4
66.16528	0.5
66.51398	0.3
73.22842	0.4
73.43154	0.4
87.87020	0.4
98.19912	1.4
98.20624	1.3
107.05067	0.5
123.04575	0.4
123.08138	0.5
125.06096	6.3
125.09813	0.5
128.48953	0.5
133.06659	0.4
161.09761	0.8
163.07693	0.6
164.64922	0.4
165.09169	0.6
177.09264	0.6
193.61163	0.4
205.05092	1.4
205.08801	3.2
207.06664	1.0
208.07397	1.1
210.82349	0.5
219.06593	0.7
219.10007	0.5
221.08203	15.3
222.08852	2.6
231.06633	1.0
233.08200	2.3
235.09781	2.0
243.13904	1.0
245.15437	1.3
247.09744	5.4
248.10078	0.8
253.84985	0.4
261.14996	2.1
271.13425	2.1
275.12924	2.9
276.13474	0.6
277.14413	0.5
289.14450	49.6
290.14868	5.6
291.16049	0.7
303.16061	3.7
304.16245	0.4
305.17664	0.6
319.15530	1.1
323.50064	0.4
361.20200	2.4
362.20782	0.8
385.20291	1.1
387.21817	4.4
388.21829	0.6
405.22574	2.4
406.99283	0.4
417.17288	0.9
417.22809	16.3
418.23099	2.2
429.26492	7.0
430.26892	1.7
445.25757	1.1
459.27335	0.6
460.28223	1.6
529.35339	100.0
530.35608	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	531.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
57.03452	7.8
57.92632	0.3
59.01097	0.4
59.01380	7.7
61.98835	2.3
66.21724	0.3
68.99814	1.9
69.03439	0.7
71.01388	7.8
73.02952	2.1
75.00870	0.7
81.03482	0.4
83.01385	1.2
85.02965	2.4
85.94309	0.3
87.00888	0.6
89.02458	6.3
95.01392	0.9
95.24345	0.3
97.02953	1.6
98.19899	0.8
99.00895	6.8
99.04530	3.8
101.02453	5.8
101.06090	1.0
108.02145	0.4
109.02945	0.6
110.00114	0.3
111.00887	3.1
111.04498	0.4
111.08216	0.7
113.02460	3.2
119.03506	1.0
119.08710	0.8
123.00932	1.4
123.04527	0.6
123.08192	1.1
124.01681	1.0
125.02455	1.5
125.06099	6.3
125.09716	0.3
129.01936	0.8
131.03500	1.1
135.08215	0.6
139.00409	3.1
139.07692	0.4
140.01183	4.5
141.01965	5.1
149.04552	2.3
150.03246	0.5
151.04092	0.4
152.01158	0.6
152.04739	0.4
153.01912	0.8
153.09268	0.7
159.02893	0.4
161.04588	3.0
162.96994	0.3
163.07684	1.9
165.05646	0.4
165.09189	0.4
165.99104	2.5
166.99846	2.8
167.03520	2.1
167.07159	0.3
168.00665	18.5
168.87846	0.3
169.01003	0.8
179.05818	0.3
179.07159	8.5
181.05099	1.4
181.08768	1.9
183.06604	0.7
189.04021	0.4
191.05603	1.2
193.06075	0.3
193.08687	0.9
194.70953	0.3
195.02979	1.1
195.06647	4.1
196.03778	0.9
197.08151	0.8
206.05861	1.0
207.06665	8.4
208.07004	0.6
209.04582	1.6
219.06778	0.5
221.08295	0.5
223.06085	4.3
224.06908	95.0
225.07668	100.0
226.08017	6.8
228.06386	0.8
235.09763	0.4
236.06985	0.8
237.07724	2.4
249.07668	1.1
261.05963	0.4
267.08771	0.8
300.70636	0.3
303.07224	0.7
315.63031	0.4
354.41373	0.3
369.11859	2.4
387.12976	84.4
388.13354	9.8
399.23959	1.6
429.14035	42.8
430.14346	5.6
469.17169	5.4
470.17651	0.9
531.17145	39.7
531.28033	10.1
532.17572	6.3
532.28113	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	529.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.1
65.64253	0.5
66.99154	0.6
68.99824	22.3
69.52400	5.9
71.05030	1.8
79.05557	1.8
81.03453	0.9
82.73190	0.6
83.05066	0.8
85.02953	1.3
91.71738	0.7
95.05092	0.7
96.96062	0.8
97.02995	1.3
97.06595	10.5
99.08178	2.3
101.06088	7.7
101.66068	0.7
107.05084	1.7
107.53078	0.7
109.02935	1.5
109.06630	1.4
111.04559	1.8
111.08266	0.9
113.06100	1.0
115.07635	1.0
121.03024	0.6
121.06624	0.6
123.00856	0.8
123.04521	0.9
123.08173	2.2
125.06102	100.0
126.06464	4.3
127.07673	26.1
127.08628	1.3
129.05551	1.1
135.08186	1.0
137.09749	4.0
149.06024	0.8
150.03215	1.4
151.04024	1.0
155.06226	0.9
163.03996	1.6
163.07677	1.7
163.11284	1.2
165.05476	0.7
165.09261	0.8
165.12810	1.5
177.01938	1.3
177.09259	1.4
178.56497	0.8
179.07156	1.9
179.10782	0.9
181.08739	2.2
187.07686	0.8
189.12852	2.2
191.14458	1.8
193.08717	27.2
194.09041	2.0
203.07141	1.8
203.10683	0.7
203.14418	0.8
204.07935	3.4
205.05011	1.0
205.08702	3.1
206.09503	1.4
207.06610	2.1
207.10268	5.7
208.10701	0.7
209.11758	3.4
212.06854	1.3
215.10721	1.0
219.06660	9.9
219.10175	1.0
220.07074	0.9
220.20499	0.7
221.08218	3.8
222.08923	2.0
223.09695	1.5
231.06522	1.4
233.08174	9.8
233.11842	1.2
234.08882	4.9
235.09758	1.7
235.13457	1.2
237.14845	3.7
245.08211	2.3
245.15460	1.2
247.09729	13.1
247.13387	2.3
248.10199	0.9
250.12167	4.2
253.10802	5.5
254.11543	2.9
259.09659	0.8
259.13379	2.2
259.16837	1.4
260.13992	1.4
261.07748	0.7
261.11182	0.7
261.14847	1.5
263.09259	0.8
263.12805	0.7
263.20236	0.7
264.82843	0.7
266.07910	2.8
271.13535	0.7
273.11313	2.0
273.14899	1.4
275.09357	0.8
275.12924	1.5
275.16296	2.2
276.09909	0.9
277.10739	0.9
287.09610	1.3
287.12860	16.2
287.15903	0.6
288.13416	2.7
289.10828	1.7
289.14410	7.8
290.15057	1.6
291.15894	1.1
301.14386	2.5
302.15121	1.2
303.15927	2.0
303.19281	1.4
315.16174	0.9
315.19522	0.9
317.10422	1.3
317.14059	1.5
317.17572	7.9
319.15778	1.4
319.19135	36.2
320.12549	0.8
320.19611	4.8
329.17606	2.5
330.14676	2.8
330.18198	1.3
331.15466	7.6
331.19016	1.4
332.16092	2.3
333.17001	1.9
335.18503	0.9
343.15521	2.5
343.26389	8.8
344.26770	1.6
345.17072	3.0
347.18640	17.9
347.22699	1.4
348.18939	2.3
351.18094	14.3
352.18329	1.7
353.78653	0.7
357.16959	1.5
357.20770	4.0
357.24173	1.6
358.20941	0.8
359.14938	1.1
371.22446	1.1
373.16397	1.6
374.17413	1.6
375.18222	2.1
376.18866	8.4
377.19275	1.2
385.20230	1.8
386.21072	2.6
387.17654	1.1
387.21942	1.1
391.17731	1.1
399.21329	5.3
399.25769	2.1
401.23477	4.1
403.21085	0.8
411.29388	1.6
413.23593	1.1
417.22736	0.9
427.25037	1.8
442.23520	1.1
443.24405	53.3
444.24860	15.0
445.25674	2.6
455.28049	23.6
456.28473	4.0
460.24829	1.0
497.29071	10.2
498.28845	1.7
511.30679	3.7
512.31268	1.6
529.31653	55.9
530.32043	13.4
544.30603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3168
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
51.10732	0.7
57.03446	1.5
59.01402	0.8
65.74075	0.7
69.83244	3.1
75.81371	0.7
95.01456	0.7
99.08138	1.4
101.06104	1.0
109.03038	0.7
109.06634	0.6
123.08154	1.6
125.06103	10.5
125.09751	2.0
126.06456	0.7
127.07638	0.9
135.04543	1.4
149.02440	0.6
151.11285	0.8
161.02481	1.0
162.03235	1.2
163.03995	1.9
165.09245	0.9
177.05499	0.8
187.04134	1.1
189.01892	1.3
190.02721	1.1
191.03520	1.3
195.06619	0.7
200.87050	0.7
205.05017	3.3
205.08821	0.6
219.06671	0.9
221.08142	1.5
228.84283	0.6
229.08707	1.2
231.06628	1.5
233.08194	5.9
235.09750	1.6
236.10141	0.6
242.02216	0.6
245.08211	2.3
246.08720	0.7
247.09752	45.2
248.10080	4.0
249.11275	0.7
259.09692	2.2
259.13583	0.8
259.16895	0.9
261.11319	4.7
271.09747	2.5
275.09198	4.6
289.10828	100.0
290.11380	18.1
291.12079	1.2
301.10809	2.4
301.14456	2.2
303.12494	1.7
315.16058	1.6
325.07193	1.2
345.08804	0.7
347.18613	0.7
367.19284	2.0
371.18729	2.8
373.20074	1.1
385.20209	73.3
386.20605	10.8
411.29099	0.9
413.19455	1.4
427.20737	1.4
428.21783	2.9
429.26746	5.3
430.26892	1.3
442.23422	1.7
443.24356	2.4
453.30737	0.8
497.29089	84.8
498.29428	19.1
511.30817	1.6
529.31677	83.6
530.32043	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	529.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90801	0.3
56.18487	0.3
57.03418	1.2
59.06493	0.3
61.98792	1.1
70.59605	1.4
85.02901	0.5
94.67805	0.4
96.96008	0.4
99.92576	0.9
101.06090	3.6
109.02911	0.6
109.06559	0.8
111.95309	0.4
115.92082	2.8
116.92886	3.2
125.02427	1.0
129.05624	0.4
133.02925	0.8
135.04507	2.0
137.02432	1.5
139.07619	0.4
139.42105	0.4
149.06071	0.4
151.03958	0.7
161.02472	2.4
162.02708	0.4
165.05618	0.7
166.68141	0.4
167.03464	1.5
171.98721	0.4
177.05585	0.9
178.06224	0.4
179.03528	3.6
179.07060	0.7
191.07121	0.7
192.07883	0.7
193.05110	0.4
193.08687	2.4
195.06453	0.4
198.05205	0.5
205.05040	0.4
205.08694	1.5
207.06566	0.8
207.10167	0.9
209.11612	0.5
220.07407	0.9
221.08189	2.4
222.09015	3.4
224.25446	0.4
233.08211	0.6
233.11937	0.5
233.96204	0.9
235.09763	4.2
236.10034	0.5
253.10791	0.9
263.09183	3.6
263.12714	0.9
264.10004	0.5
279.12466	0.5
289.14401	1.2
289.39600	0.4
291.12479	0.5
291.15924	0.3
293.13864	1.0
305.13998	6.8
305.17322	0.3
306.14322	0.8
308.12643	8.7
309.12912	0.9
313.17932	0.4
315.12531	0.8
317.13904	1.5
321.13229	1.8
329.17627	0.7
331.19116	3.8
332.19531	0.7
333.13474	10.2
333.17145	1.8
334.13788	0.9
339.15750	0.4
341.17450	0.6
343.15561	0.9
347.14999	0.3
347.18637	8.6
348.18896	0.7
357.17038	2.2
358.17657	0.8
359.18649	1.0
361.16537	2.6
375.18112	9.1
376.18906	81.6
377.19266	11.7
417.19232	0.5
427.24728	1.0
429.26672	1.1
437.23376	1.2
445.26550	1.7
455.24640	0.5
460.24710	4.5
461.25098	0.9
511.17914	1.4
529.31714	100.0
530.32074	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62529	0.2
55.01876	0.2
57.03452	0.4
58.00608	0.5
59.01379	6.8
61.98831	2.8
63.62270	0.2
69.03471	0.2
70.72176	0.2
71.01388	5.6
71.71648	0.4
72.99308	0.5
73.02962	1.1
77.34633	0.2
81.03442	0.2
83.01405	0.6
83.05014	0.2
85.02957	1.7
87.00887	0.9
87.04545	0.3
89.02456	5.4
93.03474	0.7
95.01389	0.4
97.02968	0.3
97.06596	0.3
99.00906	0.2
101.02461	6.6
102.02823	0.2
107.81248	0.2
111.04543	0.6
111.08191	0.6
113.02469	3.0
113.09742	0.3
118.59092	0.2
119.03529	1.7
121.00710	0.2
125.02485	0.4
131.03571	0.3
134.03767	0.4
135.04517	0.8
137.02425	0.2
143.03513	0.7
145.02925	0.3
145.05107	0.2
149.04523	0.2
149.09715	0.2
157.08661	0.2
161.04572	3.3
167.10823	0.3
173.04584	0.2
174.03259	0.3
175.04033	0.2
177.02060	0.2
177.12830	0.5
178.02679	0.2
179.03339	0.2
179.05682	1.1
179.10805	0.3
179.14450	0.6
181.12300	0.3
184.85573	0.2
191.05605	1.4
193.48474	0.2
195.13914	8.7
196.14377	0.9
199.82727	0.2
205.12393	0.8
205.16043	0.3
211.13402	0.7
223.13385	6.1
224.13803	0.4
225.14890	0.2
228.13652	0.7
229.83395	0.2
231.21234	0.3
235.08351	0.2
235.16972	0.4
239.12955	0.2
253.09286	34.3
254.09634	2.0
256.13159	1.2
265.21719	0.5
275.20178	5.6
276.20450	0.8
291.12466	0.3
293.21225	100.0
294.21573	11.6
355.15472	0.8
400.43314	0.2
403.21545	0.3
469.27979	0.2
492.21695	0.8
529.08398	0.2
529.28760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03434	0.5
58.00587	0.3
59.01380	6.7
60.01709	0.2
61.98832	2.6
69.03452	0.2
69.40745	1.4
70.41258	0.1
71.01386	5.8
71.05008	0.1
72.99302	0.3
73.02950	0.8
81.03446	0.2
83.01384	0.6
83.05029	0.2
85.02955	1.5
87.00898	0.9
89.02453	5.0
91.04035	0.2
93.03471	0.8
95.01373	0.4
95.05032	0.3
97.02959	0.2
97.06589	0.2
99.00909	0.2
99.04495	0.2
101.02459	6.3
101.06064	0.1
102.02755	0.2
103.04024	0.2
103.62036	0.1
111.04529	0.2
111.08176	0.6
113.02463	2.7
113.09731	0.3
116.55712	0.1
119.03511	1.6
121.10260	0.8
125.02467	0.2
125.09779	0.2
131.03549	0.3
135.04547	0.6
137.02403	0.2
143.03510	0.6
149.04579	0.1
160.01704	0.2
161.04584	3.1
167.10744	0.4
171.10295	1.9
173.04527	0.5
176.46013	0.1
177.12857	0.3
177.16472	0.2
179.05647	1.1
179.10674	0.2
179.14352	0.8
181.12370	0.2
191.05638	2.4
192.05904	0.2
195.13916	8.5
196.14348	1.0
205.12288	0.7
205.15965	0.4
211.13405	0.6
223.13399	5.7
223.15593	0.3
224.13771	0.5
228.13683	0.8
229.14023	0.2
231.21199	0.4
235.08296	0.3
235.16920	0.2
242.02191	0.2
249.22356	0.1
253.09279	31.4
254.09641	1.8
256.13174	1.0
265.21674	0.5
275.20157	7.1
276.20511	1.0
290.51746	0.2
291.19595	0.9
292.20087	0.6
293.21219	100.0
294.21561	11.7
358.34879	0.1
403.21338	0.3
469.27960	0.2
492.22113	0.8
529.20447	0.3
529.30908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.5
59.01367	0.7
61.98839	1.8
62.16732	0.2
65.67992	0.2
70.73740	0.4
70.74077	0.3
71.01394	0.2
73.86845	0.2
95.01386	0.9
95.84555	0.2
99.04543	0.5
101.02441	0.6
109.02980	0.2
123.00902	5.7
124.01226	0.2
125.02461	1.1
137.02470	3.0
152.01202	0.9
153.01958	14.4
154.02315	0.5
165.01950	15.3
165.05659	0.4
166.02298	0.8
179.07127	0.9
180.07919	0.7
184.07422	0.6
191.05669	1.4
193.05043	1.0
195.46616	0.2
206.05855	0.8
207.06604	3.5
208.07411	100.0
209.07750	6.8
221.08250	0.9
222.08957	0.4
223.09758	55.9
224.10086	3.9
234.82030	0.2
242.53011	0.2
265.10748	0.2
276.33844	0.2
277.97607	0.2
367.14087	1.2
368.14474	0.2
385.15042	41.8
386.15359	5.3
427.16095	12.7
427.21985	0.4
428.16519	1.7
456.44931	0.2
467.19275	2.1
529.18988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.5
59.01376	1.4
60.18349	0.2
61.98830	11.8
65.00333	0.3
71.01389	1.0
71.05029	0.8
71.05694	0.5
71.82458	0.2
73.02944	0.3
79.01914	1.0
83.01370	0.3
85.02943	0.6
93.03463	0.5
95.05034	2.9
96.99088	0.3
97.02964	1.4
99.00909	0.3
99.04556	1.1
99.08198	0.3
101.02445	0.8
101.06083	0.5
107.05029	0.3
108.20619	0.2
109.02975	0.3
111.04541	0.4
113.02431	0.3
116.64289	0.2
121.02998	0.6
122.03771	0.2
123.00938	0.3
123.08161	0.9
125.02456	0.6
125.06081	2.5
126.06416	0.2
135.04518	0.6
135.08260	0.3
136.05283	0.3
137.02466	0.2
137.09743	1.7
139.03012	0.5
139.04028	8.0
140.04422	0.2
143.06548	0.2
145.02975	0.2
149.06131	0.3
150.06889	0.3
155.10782	0.3
161.09711	0.8
163.04036	1.1
164.08443	0.5
165.01993	0.8
166.02663	0.6
177.09166	0.3
179.10793	27.1
180.11108	1.7
189.01959	0.6
191.05621	4.5
192.54526	0.2
193.08760	0.3
193.10379	0.2
205.08662	1.3
207.10246	0.8
209.11948	0.6
213.05641	0.4
214.36247	0.3
219.10219	1.2
221.08226	0.4
222.08952	0.3
223.09761	100.0
224.10126	7.1
229.08722	1.4
232.78305	0.3
235.09784	0.4
237.11285	0.9
247.09743	18.1
248.10130	1.8
255.06483	0.3
257.08270	0.3
265.07904	0.4
265.10800	6.9
266.11087	0.7
267.02548	0.3
277.10776	1.1
289.10822	0.7
299.09378	0.4
311.16364	0.3
327.08246	0.3
355.15683	0.4
367.14059	0.4
385.15045	20.5
386.15457	2.6
413.23154	0.3
427.16116	13.0
428.16449	1.5
467.19168	4.0
468.19266	0.4
529.11444	0.5
529.19171	15.7
530.19489	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	529.1558
Annotation	Pikuroside
Peak:m/z	Relative Intensity
53.54592	0.3
57.03447	1.1
59.01387	3.4
60.99312	3.4
61.98828	0.7
67.01896	9.5
69.03467	1.6
69.64399	0.3
69.80575	2.9
71.01391	3.6
78.95897	0.6
81.03467	1.4
83.05035	1.6
85.02964	5.9
87.00385	0.8
87.00886	11.4
89.02460	1.1
93.03469	58.0
94.03796	1.7
96.95977	0.9
96.96979	0.6
99.00924	1.4
99.04522	0.6
99.80939	0.4
101.02458	1.1
109.02988	1.0
111.04536	8.4
113.02477	1.2
115.04013	0.7
119.05093	0.4
127.04018	1.5
129.01938	1.3
133.02881	0.4
134.03760	16.2
135.04596	0.8
137.02496	2.2
139.04036	0.7
149.06093	4.9
150.06316	0.4
153.01804	0.4
155.03542	1.9
160.01758	0.8
161.02452	0.9
167.03473	0.5
171.03017	0.5
173.04578	18.7
174.04913	0.9
175.04059	0.9
177.01947	0.5
178.02751	7.9
179.03398	0.7
191.05629	100.0
192.06006	4.4
193.05078	21.9
193.06496	0.3
194.05367	1.6
367.10352	20.1
368.10693	2.1
409.11475	2.0
409.15933	0.4
435.95673	0.4
528.13220	0.4
529.15479	73.8
530.15863	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	529.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38531	0.5
57.03444	2.4
59.01376	4.7
60.99075	0.5
60.99315	6.5
61.98841	1.4
65.03963	1.0
67.01894	13.6
68.02239	0.6
69.03452	3.1
69.79276	1.4
69.79693	3.1
71.01391	6.3
72.00974	0.5
72.99332	0.6
73.02933	0.9
74.02470	1.4
81.03471	3.2
83.05029	2.1
85.02972	2.9
85.06586	4.1
87.00884	19.4
89.02480	1.3
93.03470	100.0
94.03806	3.3
96.96024	1.0
97.02985	0.7
99.00887	1.4
99.04516	1.6
99.05675	0.9
101.02435	1.5
109.02967	1.0
111.00915	0.6
111.04526	13.8
113.02479	1.7
113.06091	5.0
115.04040	9.6
119.05051	4.4
125.02460	0.8
126.03821	0.8
128.03532	2.0
129.01968	2.2
134.03757	13.1
137.02457	1.3
143.04626	2.1
144.04585	8.9
149.06076	4.6
155.03522	4.3
157.05090	0.7
163.04031	11.9
164.04373	0.7
173.04568	60.3
174.04915	1.9
175.06139	25.7
176.06477	1.7
178.02676	4.3
179.03419	0.9
188.03517	5.1
191.05638	29.3
192.05956	1.3
193.05061	13.3
194.05290	0.9
272.08755	0.7
337.09232	4.3
338.09286	0.7
353.09012	1.2
367.10474	4.2
422.08704	0.6
495.24338	0.7
511.17453	0.9
529.15619	72.1
530.16083	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	527.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48248	0.4
61.98832	0.7
71.05002	1.0
79.01891	1.6
95.04582	0.4
95.05041	4.7
97.02959	1.6
99.08152	1.1
101.06070	0.6
107.05012	0.8
111.04537	0.5
121.02952	0.9
122.03801	0.5
123.04469	1.0
123.08184	2.2
125.06102	10.0
137.02448	0.5
137.09743	2.2
138.03261	2.0
138.57430	0.4
139.03032	0.7
139.04045	9.8
139.05116	0.6
149.02458	0.4
150.03261	0.9
151.03998	4.0
152.04436	0.6
155.10837	0.6
161.09700	0.5
165.01929	2.7
166.02734	13.0
167.02974	0.5
170.02283	0.4
177.01933	1.8
177.09279	0.7
178.02686	0.8
179.10799	24.7
180.04301	0.5
180.11107	1.5
205.05080	1.0
205.08676	2.3
206.09517	1.0
207.06610	0.8
207.10248	1.7
208.07172	0.6
209.08160	1.2
217.08569	0.8
219.06638	9.8
220.07007	0.6
221.08144	2.1
222.06770	0.8
222.08974	24.7
223.09756	100.0
224.10115	7.6
233.08202	1.1
234.09018	3.3
235.09763	28.0
236.10117	2.9
237.11234	1.4
237.75806	0.4
247.16994	3.4
249.11255	0.8
259.16968	0.6
266.07932	1.3
277.14471	0.6
291.16016	60.5
292.16364	5.7
303.16019	23.6
304.16415	2.9
375.21814	0.7
443.28052	4.5
458.19431	0.8
510.70728	0.5
526.36060	0.5
527.26526	45.3
527.34094	6.5
528.26886	9.9
528.34308	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	527.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	14.6
59.01375	3.7
61.98822	5.4
63.53783	2.0
69.56042	17.3
71.05048	10.8
80.63396	2.1
87.04538	3.3
97.02931	5.3
97.06554	2.8
101.06037	3.0
104.60298	1.9
109.06615	2.1
121.06636	2.7
126.03232	1.9
129.05606	17.1
135.08113	4.2
139.04082	2.0
139.07669	6.3
139.11319	3.9
140.02711	1.8
145.10091	2.1
147.11780	3.3
149.09727	3.3
151.11275	5.0
157.05090	15.2
163.11278	7.0
173.09746	3.1
180.07887	2.9
191.10825	17.3
195.13799	2.2
203.14326	3.2
209.11858	23.7
219.17542	10.3
221.08290	3.0
221.15468	7.6
223.13390	10.6
231.17551	4.1
235.09622	2.5
253.10814	100.0
254.11111	9.6
268.94568	2.2
289.21799	12.3
290.21906	2.4
307.15411	3.2
333.20728	67.8
334.21048	6.7
361.20236	2.8
389.19638	7.6
445.26010	9.4
459.23859	32.7
460.24075	3.6
495.20901	2.9
527.33478	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	527.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	16.2
58.20374	2.8
61.98837	54.5
69.83076	20.1
71.05028	4.2
82.43315	2.6
85.02947	12.9
87.04532	14.6
90.01231	2.8
99.08146	5.6
108.85683	2.8
111.04530	8.7
111.08162	9.9
123.08199	4.2
126.03225	2.8
127.04014	3.3
129.05594	4.0
135.08150	8.3
137.09822	3.2
139.04016	7.4
139.07660	7.1
151.11314	9.5
153.09221	5.2
154.06337	2.8
155.07187	3.1
157.05063	5.1
165.12860	14.1
180.07928	6.1
181.12318	5.4
191.10722	5.4
195.13933	4.7
209.11874	35.0
219.17619	5.9
221.15393	5.2
223.13437	32.7
253.10805	100.0
254.11160	11.2
275.12769	4.4
289.21738	63.3
290.21951	9.7
292.07019	3.1
313.41711	3.1
329.35876	3.7
333.20569	8.3
352.90982	3.2
389.19913	6.3
445.25974	54.0
446.26331	8.0
459.23822	48.3
460.24155	10.4
527.33087	10.8
528.29987	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	527.2286
Annotation	Satratoxin H
Peak:m/z	Relative Intensity
50.78554	0.6
51.93092	0.7
57.03448	11.1
59.01378	6.1
61.98830	60.0
69.96766	1.8
69.97177	3.6
71.01392	4.1
71.05021	1.2
73.02940	0.9
75.77066	0.8
81.03454	2.3
83.01395	0.8
83.05043	4.7
85.02960	2.6
88.98816	1.7
89.02434	2.9
93.03473	2.5
95.05024	2.4
97.06573	1.9
101.02433	2.0
101.03990	3.6
101.04572	0.8
103.03986	1.3
107.05045	1.6
109.02962	1.1
109.06602	4.1
111.04521	3.2
111.08152	1.3
113.02409	1.0
119.05029	6.8
121.02969	9.8
121.06586	4.3
121.10240	1.0
123.04519	1.4
123.08174	2.8
125.02438	2.6
125.06102	0.7
125.09769	0.9
133.06604	1.9
135.04517	1.9
135.08168	0.9
137.06073	1.3
137.09741	1.0
139.07663	1.7
145.02974	85.7
146.03296	6.1
147.04492	3.5
149.02455	1.1
149.06088	2.1
149.09718	1.8
153.09244	2.5
155.08665	1.3
157.06639	2.0
159.04579	1.1
161.02448	0.8
161.09731	1.5
163.07646	2.3
164.08379	0.9
165.09167	1.0
167.10667	0.8
170.24652	0.9
171.08041	0.8
171.10265	1.1
171.13922	1.1
173.02473	5.1
173.04636	1.0
173.06082	2.3
173.09686	1.9
175.03941	2.4
179.10844	1.4
183.08212	1.1
185.05978	0.9
185.11795	0.9
191.05638	6.0
191.07141	1.3
191.10773	1.7
198.06894	1.5
199.04030	1.5
199.07684	5.3
199.13382	1.5
199.89879	0.9
200.04700	1.0
200.08138	0.9
201.05598	6.1
207.10245	1.1
209.09772	1.2
209.11778	9.8
211.07643	1.8
213.05547	10.7
223.11346	1.0
225.05690	1.0
225.09236	1.3
225.11278	1.8
226.06374	1.1
227.07095	3.3
228.07549	1.0
229.08618	1.2
233.11682	0.9
237.09264	1.4
239.07094	1.1
239.10730	1.0
240.07796	1.8
241.08669	2.1
246.05397	1.5
248.14043	0.9
249.09343	0.9
251.10646	1.3
253.08966	1.7
253.12321	1.0
255.06575	5.8
256.07373	3.0
261.14935	1.1
267.06564	2.6
267.10336	5.3
269.08182	1.4
269.11646	1.2
271.13226	1.3
273.17242	1.0
275.10672	0.9
279.06573	1.2
279.10162	1.0
281.08105	5.0
283.13330	2.0
285.11264	1.9
291.19656	13.0
292.19925	1.0
295.09763	2.1
303.16080	1.4
309.11404	2.1
311.12949	1.1
313.14435	1.5
323.09186	2.9
325.10733	1.9
337.10797	7.0
337.14297	1.2
338.11185	1.3
353.13904	2.2
357.13364	1.6
395.14871	2.6
407.18607	3.3
409.88458	0.9
411.18210	1.2
421.16425	2.7
435.17978	9.6
436.18671	1.5
450.20108	4.7
451.16925	1.5
463.17621	5.2
464.17651	0.8
465.19257	2.9
475.21381	1.8
477.23337	15.0
478.23874	3.7
493.22308	84.3
494.15540	0.5
494.22610	14.7
495.20230	37.7
496.20572	7.9
527.22772	100.0
527.73157	1.0
528.23126	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	527.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	15.9
59.01375	4.2
60.53168	0.7
61.98832	10.9
67.01886	1.0
68.99863	0.8
69.03452	1.7
70.86731	1.4
70.87071	1.3
71.01375	3.2
71.05000	1.8
72.09972	0.7
73.02924	0.8
78.95909	2.1
79.05547	1.5
81.03466	1.4
83.01396	1.0
83.05042	4.6
85.02959	3.2
85.06590	1.0
85.52232	0.7
89.02477	1.1
93.03452	2.0
95.01456	1.1
95.05035	2.8
97.02962	2.3
97.06602	4.7
101.03962	3.4
105.03450	2.9
107.05042	5.7
109.02972	3.5
109.06571	2.3
111.04504	1.7
111.08183	3.4
117.05129	0.8
119.05045	100.0
120.05389	4.0
121.02973	27.7
121.06591	2.4
122.03285	2.0
123.04526	2.1
123.08167	1.4
125.02475	1.1
125.06070	2.3
127.16846	0.8
131.05017	3.7
133.06563	1.0
135.00920	0.8
135.04529	3.6
135.08133	1.4
137.02353	1.2
137.06117	2.0
139.07637	1.0
145.02977	50.3
146.03343	2.5
147.04504	1.1
147.08212	1.7
149.02509	5.1
149.06058	1.1
152.52255	0.9
153.09221	2.2
155.07278	1.4
155.08679	3.0
156.00568	0.7
156.05751	1.5
157.06616	6.9
161.05991	1.4
161.09723	1.6
163.11311	1.1
165.09189	1.3
165.12898	1.2
167.03502	0.9
169.06660	1.6
170.07303	1.2
171.08136	4.9
171.10304	1.8
173.02428	3.3
173.06029	1.1
175.07597	1.7
181.06602	0.9
181.12350	1.5
183.08081	2.5
184.05266	4.7
185.06061	2.6
187.07672	1.8
191.05589	3.5
191.55046	0.8
195.10257	1.5
197.06076	1.2
197.09747	1.2
198.06877	1.1
199.04021	9.3
199.07660	30.0
200.07924	1.3
201.05560	0.9
201.09329	1.1
201.11226	1.7
207.10292	4.5
209.11832	10.3
211.07625	1.9
213.05573	8.6
215.07132	0.9
221.09642	2.3
225.05469	2.0
225.09195	1.9
225.11287	3.8
226.06316	1.4
227.07141	19.8
228.07545	2.1
229.08740	1.3
239.07124	2.4
239.10803	5.6
241.08670	1.1
241.12282	2.6
246.05312	2.8
249.09177	1.0
251.12984	1.5
253.08578	3.3
253.10834	3.8
255.06569	1.1
255.10161	1.0
257.11813	8.6
263.12814	1.3
267.10199	2.2
268.11234	0.9
269.08279	5.7
269.10916	0.9
279.10300	1.1
281.08148	2.2
285.07809	1.0
291.19403	1.1
295.09741	1.2
295.13312	2.0
297.11386	2.0
305.17572	1.1
307.13281	1.1
309.11423	1.7
309.14801	1.5
311.12805	2.5
312.13574	1.3
313.14487	1.3
317.13858	1.2
325.14426	10.2
326.14902	1.8
327.15991	11.7
328.16495	1.1
346.05356	0.9
353.14087	3.8
367.15433	2.1
371.15109	6.8
372.15469	1.2
381.16641	0.9
393.16995	2.2
407.18582	3.9
409.19977	1.6
423.21548	2.3
433.19839	0.9
435.17722	1.1
449.23184	4.0
451.21210	30.6
452.21561	4.6
465.23038	2.2
477.22467	1.1
493.22192	3.3
495.20200	3.4
496.20874	1.0
527.22656	9.8
527.29071	1.1
528.23041	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	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.9
58.03801	0.2
59.01374	1.8
61.98834	2.3
71.01391	0.7
71.72551	0.4
73.02954	0.2
74.03075	0.2
77.03974	0.3
79.01910	0.6
81.03460	0.7
83.01408	0.2
85.02963	0.3
89.02488	0.3
95.05046	0.6
95.31219	0.2
97.02959	0.5
99.04531	13.2
100.04876	0.4
101.02454	3.7
102.40752	0.2
104.73349	0.2
107.26148	0.2
113.02546	0.2
119.56213	0.2
121.02969	1.3
121.06554	0.2
123.04526	0.4
124.65218	0.2
125.02466	10.1
126.02798	0.4
135.04497	0.2
135.08159	0.7
139.04024	1.4
140.04350	0.2
143.03505	0.5
159.04642	0.2
165.01956	2.9
166.02596	0.2
175.07655	0.2
177.09239	1.4
178.02713	0.2
179.07155	0.4
183.13966	0.2
191.05612	0.5
202.19659	0.2
205.05037	0.6
205.08698	0.7
206.08923	0.3
219.06644	0.7
220.07089	0.6
221.08197	100.0
222.08531	7.7
235.09943	0.2
263.09235	2.5
264.09518	0.3
274.54034	0.2
275.23306	0.2
287.09314	0.3
305.08844	1.1
365.12454	0.2
383.13535	1.3
527.17731	1.5
527.25317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68288	0.5
53.33731	0.5
59.01381	1.3
59.08312	0.4
61.98832	0.6
63.22410	0.4
63.74651	0.4
63.96243	1.2
69.03465	0.8
71.01395	6.1
72.99316	0.5
73.02943	1.4
78.95920	1.8
78.98598	5.2
79.95751	7.9
80.96528	52.8
81.03477	0.7
83.01423	0.4
83.05021	0.6
83.26876	0.5
85.02966	2.1
87.00887	2.3
89.02443	0.5
93.03435	0.5
94.98101	13.9
95.01378	0.6
96.96033	1.8
97.02954	1.5
101.02466	3.1
106.98106	2.1
109.02975	0.7
122.97592	2.6
123.04489	0.5
125.02476	3.1
127.04021	0.8
134.03766	0.7
134.97618	3.8
136.99153	0.9
137.06091	0.9
148.99162	5.0
149.02486	1.1
149.06096	1.5
151.00418	0.6
152.98688	5.2
161.04561	0.5
163.04123	0.9
163.11316	0.5
164.98654	10.5
165.12798	0.6
167.00220	0.7
177.01970	0.5
179.00009	0.7
180.27353	0.5
181.05069	3.1
182.99739	0.6
191.05594	1.0
192.05949	0.4
193.05017	1.2
206.99744	3.0
209.11899	2.9
225.00746	18.8
226.01120	0.7
229.54048	0.5
237.04070	1.5
250.15358	0.5
299.04379	2.8
301.03476	0.6
345.06223	2.2
465.10614	0.5
477.07031	0.6
483.18433	0.8
527.18011	100.0
528.18372	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01379	2.4
61.98832	15.3
69.03463	0.8
69.58574	1.8
69.59010	1.8
71.01384	1.3
71.05023	1.7
78.95909	0.4
80.96506	0.6
81.03473	1.3
83.01395	3.2
89.02472	0.5
93.03465	2.3
93.07105	2.0
95.01409	1.0
95.05030	4.4
97.02958	4.8
101.02443	0.5
105.03483	1.8
107.01443	0.5
107.05049	1.1
108.02199	1.7
109.02971	17.8
110.03304	0.7
113.02477	0.7
117.05634	0.5
119.05054	2.9
121.02965	4.1
121.06598	2.1
122.03777	1.2
123.00894	0.7
123.04540	11.8
124.04880	0.6
125.02455	7.8
133.02975	1.1
134.03763	20.0
135.04485	1.9
137.02469	18.6
137.06102	26.7
138.03183	1.9
138.06361	1.0
139.04033	11.0
140.04338	0.5
145.02962	1.1
145.07672	0.5
145.32227	0.5
147.04504	2.0
149.02472	29.2
149.06099	64.3
150.02902	1.7
150.06442	4.1
151.00406	1.2
151.04034	11.7
159.04541	1.4
160.05264	0.6
161.02460	7.4
161.06123	2.6
162.03168	1.1
163.00380	1.3
163.04030	18.3
164.01178	2.8
164.04366	1.3
165.01942	6.1
167.03487	0.8
168.31247	0.5
173.06073	0.7
175.04030	2.3
176.01218	3.0
177.01932	5.8
178.02728	2.2
179.03520	3.6
181.05083	100.0
182.05409	5.5
183.02998	4.9
185.06082	0.5
187.04001	1.6
187.07793	0.4
188.04810	1.9
190.02710	0.7
191.03490	4.2
192.04144	0.5
193.01443	18.3
193.05077	34.3
194.01859	1.0
194.05428	2.3
197.06102	0.9
201.05550	0.5
202.06403	0.9
203.03572	0.5
203.07133	6.2
204.00635	0.5
205.01450	0.7
205.05051	3.7
205.86404	0.4
206.05415	0.4
211.06107	5.8
213.05588	3.7
215.07111	10.9
216.07527	1.2
218.02148	0.5
221.08215	1.1
226.04886	1.0
227.07288	0.6
233.20352	0.5
237.04048	43.3
238.04471	4.0
239.07150	1.3
241.05173	0.7
245.08200	5.3
247.09769	0.6
255.06535	0.5
257.08240	2.2
275.09210	1.0
283.06146	1.4
284.06555	0.6
289.07166	14.4
290.07437	1.6
301.03644	0.5
301.07184	8.5
302.07590	0.9
327.05103	7.9
328.05423	0.9
340.05908	0.5
345.06177	61.0
346.06482	6.7
357.05991	0.7
358.07269	0.6
451.11432	0.5
464.09210	0.5
465.10172	1.5
483.18829	0.9
484.19424	0.7
503.22147	0.4
509.10812	10.8
510.11130	2.0
527.11890	27.9
527.24109	3.0
528.12213	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	526.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29399	0.1
59.01380	0.2
61.98832	100.0
62.98524	0.1
88.72980	0.1
88.98803	0.1
93.96859	0.1
98.20724	0.2
143.22990	0.1
151.00429	0.2
183.13779	0.2
191.05634	0.1
220.34666	0.1
221.04561	1.1
300.02820	0.2
301.03622	0.4
315.55225	0.1
383.09970	0.4
425.10950	0.2
463.09119	0.4
526.28253	0.2
527.17957	0.3
527.25159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98833	100.0
62.98536	0.2
65.16460	0.1
71.01397	0.5
71.71128	0.1
71.71458	0.2
73.02940	0.2
75.40397	0.1
80.96545	0.1
85.02972	0.2
89.02444	0.6
90.02802	0.1
96.96057	0.1
97.02962	0.1
101.02454	0.3
121.03004	0.3
123.37164	0.1
131.03531	0.3
139.03952	0.1
149.04585	0.4
155.03354	0.1
172.89902	0.1
178.82433	0.1
191.05675	0.3
203.03584	0.4
204.04338	0.7
221.04544	0.4
225.00847	0.1
233.08189	5.6
296.36935	0.1
300.02859	0.3
301.03397	0.2
383.09851	0.2
463.08865	0.2
463.72543	0.1
527.18439	0.3
527.25421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07574	0.3
58.29126	0.4
59.41850	0.4
61.98830	0.8
71.01376	0.9
71.23180	1.0
73.02956	0.5
78.95777	0.4
82.55609	0.5
85.02972	1.4
89.02476	0.4
89.86108	0.4
92.63831	0.4
93.03476	1.6
98.06068	0.4
102.03534	0.6
104.15527	0.4
105.82833	0.4
111.00918	0.6
111.04522	1.0
116.92915	0.5
119.05043	22.0
120.05367	1.0
125.02517	0.6
133.03000	0.6
135.04527	1.7
137.02470	0.9
144.04572	100.0
145.04897	4.7
155.03487	1.0
155.07190	0.6
156.07426	0.5
160.23470	0.4
163.04031	49.9
164.04341	2.9
173.04572	1.8
175.06209	0.6
179.03511	1.5
188.03548	44.2
189.03915	2.3
191.05627	15.8
191.07355	0.9
265.44003	0.5
337.09253	16.1
338.09494	2.1
346.51807	0.5
353.08643	1.2
526.22540	0.5
527.13934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46304	0.1
54.52287	0.1
56.97416	0.1
59.01371	0.4
61.08829	0.1
61.98832	100.0
62.98544	0.2
63.27993	0.1
69.92365	0.6
71.01408	0.3
73.02956	0.2
76.90676	0.1
89.02459	0.2
101.02428	0.2
117.57906	0.1
125.02489	0.1
131.03577	0.2
137.02478	0.1
143.03659	0.1
151.00351	0.1
161.04584	0.1
171.13968	0.1
191.05618	0.1
205.05132	0.3
206.05824	0.6
221.08238	0.3
300.02704	0.1
329.23416	0.1
354.01413	0.1
383.13644	0.3
389.19894	0.1
425.14764	0.1
438.16669	0.2
463.08939	0.2
526.27240	0.2
527.25739	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24357	0.3
57.03463	0.5
59.01377	1.8
61.98832	49.3
62.93774	0.4
63.02404	1.4
63.51007	0.3
65.00324	3.1
69.96913	1.4
69.97322	0.8
71.01408	0.5
72.99311	0.6
83.01400	2.1
83.34882	0.3
85.46516	0.3
88.98823	0.8
89.02454	0.9
93.03468	0.7
99.42873	0.4
101.02467	0.6
104.28455	0.4
104.84129	0.3
107.01400	7.2
109.03004	0.5
113.02509	0.5
116.92886	0.7
121.02966	6.2
122.03272	0.5
124.01698	0.7
125.02496	1.2
135.04466	0.5
148.01657	0.7
149.02435	0.9
151.00391	39.6
152.00761	1.6
161.02515	0.4
163.00404	1.1
164.01216	0.6
169.01465	1.8
175.04018	0.4
178.99873	17.5
180.00203	0.9
181.04944	0.4
187.04109	0.6
191.05701	1.7
193.01445	0.8
219.46091	0.4
227.03532	0.8
229.05072	0.8
243.02998	0.9
245.04410	0.4
255.03023	1.6
257.04672	0.8
271.02502	3.3
272.03091	0.9
273.03961	1.9
299.02222	0.4
300.02753	11.5
301.03531	68.2
302.03857	6.8
303.21790	0.6
428.08081	0.4
445.07779	3.2
446.08060	0.5
463.08807	100.0
464.09195	14.8
464.15762	0.8
525.25989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49839	0.3
51.88046	0.4
52.21932	0.3
54.92550	0.3
59.53675	0.4
61.98829	9.1
63.83640	0.5
65.00304	0.8
69.58707	3.3
83.01403	0.7
96.16646	0.4
107.01377	1.8
108.02204	0.7
109.02990	0.8
112.59502	0.4
121.02957	1.2
135.00876	0.6
148.01653	0.9
151.00394	9.2
163.00407	1.6
164.01172	0.5
178.99857	3.8
199.04063	0.4
211.04047	0.8
226.02707	1.1
227.03477	1.7
243.02989	6.4
244.03564	0.5
245.04517	0.8
254.02301	2.0
255.02962	19.3
256.03311	2.3
271.02460	40.6
272.02802	4.3
273.03964	0.8
283.02405	0.8
299.01971	0.9
300.02753	86.9
301.03442	39.6
301.98322	0.4
302.03867	4.2
463.08798	100.0
464.09125	14.8
525.23431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3218
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
57.03434	1.3
60.61179	0.7
61.98824	0.9
68.99822	0.7
71.73022	0.7
79.01891	0.9
79.85489	0.7
87.04517	0.7
97.06613	4.0
99.83733	0.9
109.06626	1.0
111.04553	1.5
125.06099	16.5
126.06441	1.3
135.08154	1.4
137.09734	0.9
150.03241	1.5
151.04025	3.3
177.01970	5.0
177.05559	0.7
178.02693	2.8
179.07173	0.8
179.10710	1.5
191.10698	0.9
193.12407	0.7
205.05000	2.3
206.09476	1.3
213.83313	0.7
217.12268	0.8
219.06621	16.7
219.10220	1.0
219.26172	0.8
220.07120	1.6
221.08168	6.9
222.08861	1.9
223.09688	4.7
233.08186	7.3
234.08971	5.1
235.09727	16.5
236.10300	2.6
245.08096	0.8
247.09750	6.3
248.10431	1.8
261.11307	2.2
266.07971	1.1
273.11261	0.9
275.16400	3.6
287.12851	2.5
288.13629	1.5
289.14508	2.9
290.15076	1.2
300.13571	0.9
301.14526	1.5
303.12640	1.1
303.16000	21.4
304.16382	3.1
305.13733	0.9
315.16425	0.7
317.14001	0.9
317.17548	1.1
329.21048	0.8
355.19095	2.9
357.20706	2.1
369.20782	2.3
373.20197	65.7
374.20657	10.6
385.20154	2.9
399.25339	1.6
427.24704	8.8
428.25302	2.0
441.26102	0.8
442.27267	8.5
443.27994	4.1
525.32172	100.0
526.32520	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	525.3226
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
61.98806	1.8
69.38504	8.9
69.38928	7.3
75.66412	1.3
111.04484	6.2
123.04497	1.6
151.04013	10.5
163.03976	2.5
177.01877	3.5
177.05539	1.4
177.09225	1.5
180.04260	3.0
180.66377	1.5
189.01704	1.3
191.03474	2.1
191.07217	2.7
193.08672	1.5
203.07085	3.5
205.04912	2.5
205.08727	2.3
207.06578	2.1
208.07274	1.6
209.08121	3.8
217.08806	1.9
219.06635	14.8
219.10083	1.6
220.07214	4.4
220.10881	1.9
221.08206	47.4
222.08893	11.9
233.08191	57.7
234.08430	5.5
235.09769	20.1
236.10129	2.1
247.09732	6.3
248.10521	19.3
261.11240	4.8
273.18555	3.1
277.14478	1.8
289.14343	5.6
292.13351	1.5
317.17587	45.9
318.17816	5.6
326.22479	1.5
373.20102	1.7
414.20554	1.4
443.27838	6.4
525.31958	100.0
526.32190	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	525.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54142	0.6
55.01889	1.1
57.03439	1.9
58.00587	3.6
59.01377	100.0
60.01728	1.2
61.98831	71.0
63.02406	0.7
69.03450	0.9
69.94881	0.7
71.01384	59.6
71.71632	1.4
72.01718	1.2
72.99307	4.8
73.02956	6.2
75.00888	1.6
83.01392	2.6
83.05060	0.8
85.02954	10.2
87.00883	2.9
87.04556	0.8
88.98815	2.6
89.02453	91.8
90.02798	2.0
93.03453	0.7
95.01372	1.1
97.02962	1.7
99.00890	4.6
101.02459	46.3
102.02805	1.4
110.00115	0.7
113.02473	11.0
114.02837	0.6
118.43953	0.6
119.03522	5.8
121.02979	1.3
122.06120	2.5
123.00906	2.2
123.06491	1.2
123.08154	0.7
124.01698	4.7
125.02407	2.5
127.47107	0.7
129.01952	2.0
131.03526	53.4
132.03818	2.5
132.04826	0.7
132.05853	3.8
134.06114	0.7
139.04071	4.0
143.03531	1.8
149.04575	82.5
150.04909	2.1
151.00366	2.1
152.07170	3.7
153.07542	1.3
161.04573	2.3
164.04779	1.9
183.02800	0.7
187.11304	5.8
191.05621	30.7
192.05946	1.7
197.11835	5.6
198.01070	0.8
203.21524	0.7
207.10258	3.5
221.06688	3.6
231.10272	10.2
232.10622	1.0
239.12862	4.5
251.07663	2.1
253.09189	1.1
271.02310	1.7
281.08783	1.4
283.10852	1.7
284.11029	1.4
288.10172	0.8
293.08804	0.9
300.02637	3.1
301.03619	5.6
302.03659	1.1
303.04135	1.5
311.09683	3.0
313.10632	1.1
321.09738	1.8
327.21820	1.1
333.13315	1.7
333.19333	1.1
341.06613	0.7
361.09036	0.9
362.09277	1.4
363.09775	1.2
369.53622	0.8
433.20447	0.8
445.07660	1.6
449.18570	0.8
463.08789	6.7
465.17484	0.8
493.18027	1.1
525.14459	3.2
525.21082	11.7
525.33374	0.8
526.20862	2.0
526.27924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1614
Annotation	Inumakilactone A glycoside
Peak:m/z	Relative Intensity
50.28601	0.3
55.01860	0.3
57.03448	12.8
59.01383	8.2
61.86303	0.3
61.98833	48.5
69.47792	0.5
69.48198	2.4
71.01388	1.6
73.02957	1.8
77.03999	0.7
80.96543	0.8
81.03477	0.5
83.01417	0.9
85.02947	0.6
85.06650	0.3
88.05196	0.3
89.02470	0.6
97.06616	0.3
98.19826	0.5
99.04533	11.2
101.02459	4.8
105.03460	0.8
107.01425	0.3
109.06615	0.7
111.04530	0.7
113.02466	0.8
121.02976	1.2
123.04549	1.3
125.02455	4.1
141.05615	0.3
143.03499	0.3
147.04536	0.5
149.02454	2.6
153.05634	0.5
159.04500	0.4
161.02432	1.1
161.04587	21.4
162.04919	0.8
162.76447	0.3
163.04063	1.2
166.06334	0.3
167.03503	0.8
174.03320	0.5
175.04074	0.4
179.03563	0.4
189.09218	0.7
190.02811	0.3
191.03526	0.7
202.06587	0.3
203.05627	1.1
204.04135	0.4
204.05986	0.3
209.11832	0.9
210.12073	0.6
211.12453	0.3
216.00558	0.7
217.05067	5.3
217.08635	0.5
218.05852	14.0
219.06549	3.5
230.05899	0.5
231.06630	0.6
233.08194	49.0
234.08551	4.3
243.02994	0.4
243.06606	2.0
245.08215	1.0
255.02928	0.5
259.06076	1.2
261.07672	100.0
262.07999	8.8
262.10669	0.5
263.07678	6.0
271.02585	0.7
271.06006	0.3
273.07669	6.2
274.07990	0.7
280.65421	0.3
285.07675	0.4
291.08743	19.2
292.09235	1.6
300.02701	2.1
301.03619	0.5
303.08820	0.9
315.08667	1.1
327.08951	0.7
333.19153	0.6
345.09802	1.5
346.10321	0.4
363.10944	2.7
364.11224	0.4
381.11926	30.2
382.12265	3.7
423.12976	12.9
423.18689	0.5
424.13211	1.9
463.08868	2.3
463.16061	2.0
465.22803	0.6
496.84540	0.4
507.15369	0.4
523.48456	0.3
525.15991	4.9
525.22858	0.3
525.27545	0.4
526.16235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
61.98832	100.0
68.99839	0.3
69.78966	0.7
69.79396	0.5
80.51211	0.2
94.91656	0.2
97.89515	0.2
102.91368	0.1
107.54102	0.2
111.04514	0.4
125.06104	0.2
171.10242	0.2
176.10358	0.2
209.11929	0.2
281.13953	1.2
281.69177	0.2
287.53995	0.2
420.65381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28936	0.4
61.98834	100.0
69.46347	3.1
69.46767	1.1
73.78860	0.4
90.61864	0.4
91.95035	0.3
92.90276	0.4
105.36739	0.3
126.54334	0.3
139.79388	0.4
153.81938	0.4
211.54512	0.4
251.12688	0.4
380.72153	0.4
461.25409	0.5
502.09702	0.4
545.05737	0.4
548.11957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
67.94216	0.3
69.46455	2.9
71.49982	0.3
92.31097	0.3
136.57147	0.3
199.77780	0.3
251.12849	0.4
419.18918	0.3
447.80264	0.3
539.39319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.3
59.01379	0.9
60.99309	15.1
61.94884	0.2
61.98817	0.5
64.11762	0.2
71.01391	0.8
71.31928	0.4
71.32275	0.3
80.44952	0.2
85.02946	0.4
87.00931	0.3
88.98815	100.0
89.99148	1.1
93.03532	0.3
95.41205	0.2
96.34519	0.2
101.02450	0.7
111.95990	0.3
113.02457	0.3
116.92848	0.8
121.02956	0.4
125.02444	0.4
141.60988	0.2
151.03998	0.4
159.12297	0.3
171.46349	0.3
175.04030	0.4
191.05632	0.4
199.04105	0.4
234.67326	0.2
243.02951	1.2
246.57761	0.3
261.04041	2.7
262.04388	0.5
283.68182	0.3
333.19025	0.5
428.24200	0.3
435.09540	0.7
445.17700	0.3
454.04675	0.2
465.23419	0.5
525.28656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98833	100.0
62.98547	0.3
69.84608	0.9
74.37093	0.1
89.02435	0.2
102.32623	0.1
124.01690	0.2
139.04073	0.4
169.35594	0.1
170.14412	0.1
171.13977	0.2
225.07838	0.1
362.13477	0.2
363.14722	0.2
428.37149	0.1
525.19812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.25
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.49120	0.6
79.19720	0.3
84.90921	0.3
95.63801	0.3
110.09280	0.3
117.71758	0.3
146.52527	0.3
209.31403	0.3
241.79361	0.3
255.29022	0.3
461.25986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78676	0.1
59.01375	0.1
61.98833	100.0
62.98538	0.1
64.28848	0.1
69.50611	0.7
69.51029	0.3
69.68657	0.1
72.28694	0.1
85.02954	0.1
88.18543	0.1
96.96001	0.6
98.20703	0.2
101.06109	0.1
257.49274	0.1
362.23087	0.2
524.26221	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	524.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.82127	0.1
61.98831	100.0
62.98536	0.2
69.56850	1.0
71.35428	0.1
76.29063	0.1
80.58351	0.1
95.16158	0.1
96.02672	0.1
111.04550	0.2
115.89948	0.1
144.02837	0.1
164.89449	0.1
262.42108	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	524.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86727	0.3
61.98834	100.0
66.90726	0.3
69.46181	2.9
69.46522	0.5
77.98795	0.3
78.08569	0.3
112.11877	0.3
120.36101	0.3
147.63330	0.3
149.68684	0.3
438.06036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2548
Annotation	Safracin A
Peak:m/z	Relative Intensity
57.03449	15.2
58.71145	0.5
59.01376	3.2
60.99307	1.1
61.98833	7.0
67.01889	0.7
68.99818	1.7
69.03455	2.7
70.18354	0.5
70.80886	1.5
70.81270	1.2
71.05022	2.3
73.02930	0.7
75.81847	0.5
83.05025	3.4
85.02952	3.0
88.98829	7.7
89.02464	2.2
93.03467	0.9
93.07143	0.7
95.05042	16.7
96.05363	0.7
97.02946	1.2
97.06593	2.7
98.03748	1.6
98.33151	0.6
99.00900	0.8
99.04515	0.9
99.08174	5.9
101.06093	8.9
107.05062	1.1
109.02966	2.5
109.06599	2.2
111.00871	1.4
111.04522	1.6
111.08179	3.4
113.06105	26.5
115.07653	0.7
119.05087	0.6
121.06587	2.7
122.97539	0.6
123.04548	1.3
123.08187	1.3
125.06108	55.1
126.06433	2.5
127.07674	0.7
135.08174	0.6
137.02588	0.6
137.06087	2.4
137.09743	1.9
139.03969	1.1
139.07677	1.7
141.09224	1.5
149.06107	1.0
151.07642	1.6
153.09230	1.9
155.07178	1.7
155.10765	1.9
161.09798	0.5
163.11263	1.8
165.09235	2.1
167.10756	1.2
169.08714	0.8
171.10251	0.6
177.09253	1.6
177.13138	0.6
178.10022	1.1
179.07170	1.2
179.10783	2.9
181.08748	3.3
189.09175	0.9
191.10748	1.1
193.08699	4.5
195.10263	3.5
197.11864	1.9
203.10768	0.9
205.12379	1.7
206.09138	0.6
207.10272	10.7
208.10600	0.7
209.08141	1.2
209.11842	0.8
211.09697	2.1
219.10280	0.7
219.13742	0.6
221.11902	1.5
223.09735	1.3
225.11342	6.1
231.10297	0.7
233.11777	1.1
235.13405	1.2
239.12878	6.0
240.13240	0.6
245.11691	0.7
249.11304	1.4
251.09181	1.1
251.12836	0.6
253.10847	1.4
259.13330	0.7
261.11273	1.2
265.13953	0.5
269.10263	5.1
271.15494	5.9
273.56198	0.7
277.14413	0.8
289.14517	0.6
291.15897	1.5
303.15936	1.4
305.17581	0.7
333.17105	1.7
335.18695	4.1
357.16843	0.8
361.20258	2.2
429.22885	17.8
429.28732	0.9
430.22964	2.6
447.23981	4.9
475.23553	1.3
491.22873	72.2
492.23199	12.9
523.25452	100.0
524.25836	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	524.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17857	0.1
53.30592	0.1
59.01369	0.4
61.98832	100.0
62.98547	0.2
69.56971	0.5
69.57394	0.6
71.01398	0.2
76.14867	0.2
82.62711	0.1
89.02456	0.2
94.63095	0.1
95.49362	0.1
149.04510	0.2
151.81310	0.1
167.10788	0.2
168.11162	0.2
169.11278	0.2
198.42252	0.1
198.78670	0.1
202.29419	0.1
228.78226	0.1
257.04785	0.2
268.34146	0.1
423.30472	0.1
525.26862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01093	0.9
59.01382	12.8
61.98833	15.8
69.55368	1.4
69.55774	5.1
71.01392	8.0
73.02960	1.8
73.26115	0.8
75.00885	2.7
83.01395	0.8
85.02953	2.8
88.98810	1.6
89.02450	7.2
95.01389	1.0
101.02454	5.6
108.02190	1.4
113.02480	4.7
116.92860	3.5
119.03502	2.4
122.06152	3.2
123.00909	5.1
123.04544	1.4
124.01706	1.3
135.04529	0.9
136.01692	2.2
137.02513	1.5
151.00406	4.3
152.01103	0.9
152.07181	4.4
153.81369	0.7
160.04099	0.8
161.04614	1.9
165.12906	5.2
179.05634	1.5
183.13919	100.0
184.14276	6.1
190.05089	1.0
191.05699	1.1
207.13873	2.0
208.07468	3.6
209.11812	1.8
223.06151	9.0
223.09740	2.8
227.12938	6.0
227.14970	0.9
237.14966	1.3
239.11990	0.8
251.12833	3.7
268.08224	0.7
274.01248	0.9
283.02298	0.7
283.10889	1.8
287.01993	3.2
288.02634	2.0
295.10791	0.9
301.03571	8.7
301.16577	69.8
302.03928	1.2
302.16925	9.2
325.16562	2.8
343.08224	1.6
346.10605	3.1
355.17703	1.7
360.08652	4.6
361.09109	5.6
361.12988	15.0
361.29663	1.3
362.13315	1.9
367.17697	1.9
448.18863	1.0
492.17899	1.3
523.14539	20.1
523.25275	5.0
523.34833	9.1
524.14435	2.0
524.20587	11.8
524.27020	0.9
524.34576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99204	0.6
51.80353	0.7
57.03444	2.4
59.01379	16.8
60.99295	0.9
61.98835	7.7
69.03424	0.7
71.01386	10.4
71.48930	1.5
73.02939	2.5
83.01397	1.0
85.02959	4.3
87.00854	0.8
88.98825	5.0
89.02454	8.7
89.56674	0.7
91.04025	1.4
95.01392	1.6
99.00890	1.0
101.02457	7.1
111.00858	0.9
113.02470	6.7
116.92860	0.9
119.03516	3.0
125.02512	0.7
131.03499	0.8
135.04480	0.7
137.02440	1.0
139.31683	0.7
141.38037	0.7
161.04568	2.1
165.12897	6.0
179.05653	1.0
183.13914	100.0
184.14243	5.2
191.05638	2.0
207.13916	2.1
209.11871	1.8
219.13910	0.7
227.03577	1.6
227.12929	7.0
228.03746	1.6
229.03906	1.2
237.15036	1.0
243.03102	0.8
251.12872	3.6
259.02524	1.3
260.52869	0.7
263.04562	1.2
273.04056	0.9
301.16583	70.0
302.16855	7.2
325.16586	2.9
331.17670	1.2
337.03696	0.8
349.16110	0.8
355.17715	1.4
361.30008	1.7
367.17746	1.5
463.21805	3.1
523.13922	5.5
523.25220	6.2
523.34894	14.6
524.14722	0.9
524.24982	1.0
524.35272	2.0
547.86188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.76478	0.5
57.03446	0.4
58.00589	1.1
59.01378	35.3
60.01716	0.7
61.98833	3.7
64.74350	0.4
69.03451	1.1
71.01387	24.5
72.01719	0.5
72.99306	0.7
73.02949	2.8
81.03465	0.9
83.01395	1.2
85.02953	3.9
87.00877	0.9
87.04514	1.5
89.02453	33.5
90.02793	0.4
95.01390	0.9
97.02957	1.6
99.00895	2.0
101.02457	11.7
108.02215	0.7
111.00846	0.5
113.02462	4.4
119.03545	1.3
123.00914	1.6
123.04568	1.0
124.01677	8.6
125.02468	14.2
129.01939	0.9
129.83595	0.4
131.03523	15.6
137.02431	0.9
137.50648	0.4
138.03249	1.0
139.04030	6.7
143.03516	1.0
149.04570	14.7
149.08688	0.4
151.04016	0.7
151.11255	0.7
152.01158	1.1
153.01941	6.6
161.04610	0.7
167.02115	0.4
167.03481	2.5
169.12363	100.0
170.12689	6.7
183.14001	0.5
191.05659	7.1
193.12387	0.6
207.06731	0.7
223.06134	1.9
223.09717	0.6
229.53246	0.4
233.06638	1.3
248.58156	0.4
275.05457	0.7
275.08078	0.5
276.06241	0.5
293.08789	17.6
294.09082	0.9
343.17493	0.7
346.10580	1.6
349.16418	0.6
361.12878	7.8
362.13098	1.2
384.59808	0.5
386.46756	0.5
457.32324	0.4
463.21851	5.8
464.22162	1.6
487.27890	0.5
508.16199	0.6
523.18219	8.2
523.25574	2.1
523.34552	1.4
524.18488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03453	2.1
58.00594	3.0
59.01380	70.7
61.98838	12.3
69.03466	3.6
69.43669	5.3
69.44105	9.3
71.01386	64.9
72.99285	3.5
73.02952	14.2
75.00874	3.1
75.01669	1.2
81.03474	2.2
83.01383	3.9
85.02956	6.5
87.00883	2.0
88.98766	1.4
89.02456	100.0
95.01368	3.0
97.02957	9.8
99.00904	20.8
99.04513	1.3
101.02455	32.4
113.02479	7.3
115.04000	4.1
119.03520	1.7
123.00907	3.9
123.04520	3.5
124.01699	16.0
125.02472	44.1
126.02853	1.4
126.70836	1.2
131.03516	14.0
136.01582	1.9
137.02460	3.7
138.03194	3.3
139.04028	18.9
143.03499	4.7
149.04581	54.2
152.01176	4.2
153.01959	18.8
161.04515	2.1
167.03534	7.4
169.12357	35.0
170.12703	2.6
191.05644	13.0
207.06612	7.1
211.13448	7.0
223.06084	2.8
233.06660	14.8
237.07895	1.5
241.14371	3.6
275.07736	3.9
276.06198	1.3
279.72412	1.4
293.08771	67.4
294.09152	4.9
301.14423	2.5
311.09839	1.5
345.09998	1.7
346.10373	3.6
361.12891	19.7
362.13153	2.2
426.15298	1.8
474.68137	1.4
497.70831	1.5
508.15747	2.1
523.18018	21.3
523.25385	10.2
523.33380	2.4
524.18414	5.6
524.25854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63087	0.3
59.01386	2.9
61.98831	0.4
69.03467	0.7
69.93479	0.2
71.01391	1.9
71.70494	0.4
73.02951	0.6
74.23415	0.3
81.03466	0.4
83.05051	0.4
85.01043	2.3
85.02956	5.6
86.03296	0.4
87.00885	0.9
89.02444	1.0
93.03464	4.1
99.00890	0.3
99.04534	0.8
99.08192	0.6
101.02444	0.9
109.02938	0.8
111.04523	1.6
113.00558	0.3
113.02441	2.0
116.92881	0.9
117.01868	0.3
125.02469	0.4
127.02132	0.3
127.04035	1.1
137.02483	1.0
143.03520	0.6
143.05260	0.8
145.03172	0.4
149.81586	0.3
155.03555	0.6
161.04652	0.4
169.03290	0.3
171.02948	0.4
173.04576	1.6
187.07822	0.4
191.05635	39.7
192.06004	2.4
199.04236	1.6
202.97899	0.3
217.05240	4.7
229.08702	0.4
255.11363	1.0
259.06305	1.1
287.05795	13.4
288.06284	0.8
289.07230	1.3
300.06549	1.5
301.07385	3.3
302.07825	0.5
317.11328	0.8
319.08463	0.6
331.12268	0.5
343.12253	1.4
348.08353	0.3
349.13107	2.4
361.09290	0.6
361.13474	0.6
379.10538	2.1
391.14429	0.6
403.13815	0.3
445.96033	0.3
523.18408	100.0
524.18726	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	523.2186
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03447	0.2
59.01384	2.0
61.98822	0.4
71.01385	2.0
73.02949	0.4
83.01401	0.2
85.02959	1.0
88.98814	0.4
89.02448	1.2
91.14159	0.2
93.03469	1.0
95.01424	0.2
96.59760	0.1
96.83662	0.2
98.75604	0.1
99.00875	0.4
101.02461	1.3
104.12412	0.2
108.02171	0.4
109.02969	4.0
111.04572	0.3
113.02443	0.9
119.03557	0.2
119.05038	0.4
121.02972	10.7
122.03772	10.1
123.04622	1.3
124.01670	1.0
125.02519	0.3
129.03484	0.7
131.03503	0.5
134.03783	0.6
135.04550	1.7
135.93884	0.2
136.01701	0.2
136.05330	1.0
137.02467	1.9
146.03760	0.6
147.04546	5.0
148.05267	0.6
149.04591	0.5
149.06075	0.9
150.03244	0.3
151.00502	0.2
154.02745	1.4
155.10802	0.7
159.04546	0.2
160.05377	0.4
161.04559	0.7
161.06096	1.7
162.06810	0.3
163.04022	0.4
164.04854	0.4
165.05589	21.8
166.05933	1.2
168.04324	0.2
173.06090	0.4
175.07654	0.4
177.05647	0.2
178.06352	0.7
179.07150	6.4
180.07460	0.5
182.90315	0.2
190.06404	0.3
191.05611	0.4
191.07173	0.5
192.07764	0.2
199.09744	0.8
208.07420	0.2
209.08261	0.8
223.09727	0.7
229.70180	0.2
243.02940	0.5
255.02954	2.4
256.03467	0.2
271.02518	0.6
273.03860	0.5
275.21902	0.2
298.12173	0.7
299.12604	0.2
301.10736	0.5
303.05182	0.3
313.14383	1.0
315.12375	2.3
316.12930	0.7
330.14450	0.3
331.14774	0.4
343.15497	0.2
345.13489	0.3
346.14224	9.5
347.03937	0.2
347.14496	1.0
361.16565	100.0
362.16907	12.1
375.15497	0.2
391.23367	0.8
433.07773	0.2
435.09100	0.9
463.21878	1.3
464.21790	0.2
471.49829	0.2
523.14215	0.4
523.27069	1.3
524.26752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1456
Annotation	Barbatoflavan
Peak:m/z	Relative Intensity
59.01385	1.3
61.98830	3.4
63.31187	0.2
70.25891	1.2
71.01383	1.6
73.02949	0.5
83.01389	0.3
85.02955	0.8
88.98827	0.5
89.02454	0.6
99.00912	0.4
101.02450	0.9
113.02485	0.4
116.39376	0.3
122.06127	0.5
125.02488	0.9
131.86125	0.3
132.94145	0.3
151.00404	0.7
152.07213	0.9
153.01891	0.3
183.64119	0.2
187.03992	0.6
201.05530	0.4
203.03586	0.7
215.03586	0.6
217.05035	0.3
227.03488	0.3
229.04933	0.3
231.03024	1.7
245.04198	0.4
246.01662	0.7
249.85112	0.2
259.02444	1.0
260.03174	0.9
260.92188	0.3
273.04034	0.6
274.01175	9.2
275.01816	1.7
283.02408	0.8
283.10904	0.3
285.04016	0.4
287.01965	15.4
288.02686	8.8
289.03174	1.2
299.02164	0.4
301.03534	47.9
302.04037	8.0
303.04626	0.4
343.08243	6.0
344.08563	0.8
345.06198	2.0
360.08493	22.7
361.09268	45.3
361.29468	0.7
362.09613	5.6
403.10217	0.4
523.14520	100.0
523.34741	2.9
524.14636	16.5
529.28937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00663	0.2
57.03460	0.3
57.75002	0.3
59.01378	0.8
61.98831	100.0
71.72676	0.4
88.98815	0.3
101.06106	0.4
111.30443	0.3
125.06115	0.9
126.16547	0.3
131.57892	0.3
134.73744	0.3
137.03371	0.3
150.59627	0.2
152.99596	0.3
293.19745	0.3
293.22882	0.3
421.07663	0.3
460.24503	0.7
467.72586	0.3
523.26123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98831	100.0
62.98536	0.2
69.58244	0.2
69.87737	0.6
69.88168	0.4
70.52068	0.2
80.74615	0.1
87.04523	2.5
88.04882	0.2
110.18771	0.2
117.42197	0.1
130.88853	0.1
131.52017	0.1
135.08154	0.2
137.02446	1.1
138.02844	0.2
152.99594	0.3
160.69127	0.1
165.01979	0.5
173.12895	0.2
180.04161	0.2
191.05643	0.2
229.43138	0.2
392.22308	0.2
395.82318	0.2
419.20953	0.6
420.21051	1.6
434.22699	0.4
522.28058	1.2
523.28638	0.2
544.70331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65084	0.1
54.66321	0.1
59.01368	0.5
60.73365	0.2
61.98832	100.0
62.98547	0.2
70.29383	0.5
97.62045	0.1
101.06104	0.1
125.06103	0.3
139.07613	0.2
184.09738	0.2
188.97835	0.2
221.08199	0.3
235.09921	0.2
361.20352	0.4
377.20050	0.2
406.45166	0.2
467.73599	0.2
479.03491	0.2
523.25525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35836	0.4
57.03439	0.4
59.01381	5.7
60.99307	13.6
61.98833	13.5
69.64415	3.1
71.01382	3.1
73.02965	1.2
75.00867	0.4
85.02974	1.9
87.35087	0.4
88.98816	100.0
89.02457	2.4
89.51727	0.4
89.99164	1.7
96.74840	0.4
99.00887	0.6
101.02454	3.2
113.02470	1.1
120.99727	0.4
121.02979	0.5
122.06148	1.1
125.02476	0.6
131.03499	0.6
149.04584	1.3
151.00423	0.8
152.01129	0.5
152.07162	2.1
161.04562	0.5
166.06348	0.7
178.99870	0.9
181.08684	1.3
191.05641	1.2
209.11852	3.1
216.73318	0.4
227.13020	0.6
239.11896	0.6
258.01434	0.6
259.02258	0.5
272.03143	1.3
273.03793	0.8
274.03876	0.5
283.10965	1.5
301.02972	0.6
301.20218	0.7
331.17609	1.9
343.07922	0.5
343.14096	2.2
358.06937	0.7
359.07544	1.0
360.07446	1.9
433.11472	1.0
448.18863	1.4
463.21686	3.5
464.21417	0.4
479.21222	0.5
492.17715	4.0
523.14130	8.0
523.27087	5.6
524.13684	1.0
524.20581	0.7
524.27179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64539	0.1
59.01381	0.6
59.31377	0.1
61.98832	100.0
62.98532	0.1
70.73957	0.2
70.74313	0.3
71.01396	0.4
72.01740	0.1
73.02955	0.1
75.83497	0.1
85.02981	0.2
88.98809	0.2
89.02470	0.4
101.02460	0.2
113.02475	0.1
116.92889	0.1
125.02482	0.2
131.03522	0.2
136.04962	0.1
165.09215	0.6
166.09602	0.2
167.09799	0.2
191.05663	0.3
201.01988	0.1
230.01933	0.1
258.01624	0.3
259.02112	0.5
273.04065	0.3
274.04395	0.4
360.08255	0.3
360.24689	0.1
435.13654	0.1
436.09985	0.2
449.27539	0.1
478.10806	0.3
521.34106	0.1
522.25842	0.2
522.33588	0.2
523.25439	0.1
523.34613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98362	0.2
59.01373	1.2
61.98833	100.0
62.98553	0.3
84.73873	0.2
85.03002	0.3
97.02962	0.3
101.06078	0.5
125.06131	0.6
133.20438	0.2
154.48898	0.2
197.08234	0.3
207.06682	0.8
209.08243	0.3
335.18674	0.4
365.06726	0.2
426.15533	1.0
437.21683	0.4
522.30658	0.4
523.16498	0.4
523.25720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43313	0.2
58.62747	0.2
59.01378	1.2
61.98833	100.0
69.55346	1.3
69.55761	0.4
71.01391	0.8
73.02964	0.3
85.03007	0.2
89.02468	0.4
99.00865	0.2
101.02467	0.6
113.02515	0.3
131.42392	0.2
137.02486	0.2
157.02859	0.2
167.10872	0.6
168.11073	0.3
191.05659	0.4
199.04196	0.2
208.07434	0.4
223.06236	0.6
231.95026	0.2
242.05392	0.2
244.03354	0.4
262.04416	0.5
263.04700	0.4
264.04868	0.3
346.10989	0.4
361.12897	1.4
398.29144	0.2
431.26437	0.3
480.11469	0.3
523.26794	0.4
523.34613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2755
Annotation	yanuthone G
Peak:m/z	Relative Intensity
57.03223	0.4
57.03456	4.3
59.01382	16.1
61.98830	4.5
64.55426	0.3
69.66293	0.7
69.66713	2.0
71.05029	0.7
79.05554	0.3
81.03463	0.4
83.05025	1.2
85.02963	11.3
85.06601	7.9
87.04529	17.7
91.04037	0.5
92.97435	0.4
95.05023	0.9
97.06596	0.4
107.05025	0.7
109.02972	0.5
109.06598	1.0
111.04533	0.5
111.08189	1.9
119.43951	0.3
121.06591	0.7
123.08184	2.1
125.06105	0.7
135.08162	0.5
137.06088	1.5
137.09665	0.5
139.07675	0.5
139.11308	0.8
143.86925	0.3
147.08174	0.9
149.06032	0.4
149.09720	0.9
150.06911	2.1
151.07629	1.3
153.09239	3.4
158.07405	0.6
159.08185	2.2
161.06088	1.0
161.09732	0.8
163.07671	12.6
164.07983	0.9
165.09245	0.8
173.09682	0.6
175.11377	0.5
177.09259	1.6
178.09766	0.4
179.10709	0.5
182.05865	2.8
187.11244	0.4
189.12854	0.5
191.10794	0.6
193.12369	0.7
201.12912	0.5
203.10858	0.7
205.08618	0.6
205.12334	0.5
214.10023	1.4
215.10779	0.7
219.13968	0.4
229.12360	5.9
230.12791	0.5
230.17422	0.3
233.11853	2.3
243.14020	0.3
247.13380	5.9
248.14125	4.5
249.14778	0.8
253.15916	0.4
261.14856	0.8
262.12167	0.5
271.17014	4.0
272.17413	0.6
273.15045	0.8
287.16611	0.5
288.17288	0.4
289.18085	1.6
297.22498	0.4
311.20068	0.7
323.20148	0.5
341.21249	12.4
341.25400	0.7
342.21463	1.9
355.18997	0.6
359.22284	100.0
360.22650	14.6
373.20261	1.5
374.20651	0.4
385.20114	0.8
399.25494	1.1
403.21204	3.5
404.21536	0.5
417.26376	2.7
418.27075	0.5
443.24545	0.5
461.25385	2.1
514.99664	0.3
521.27960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2755
Annotation	yanuthone G
Peak:m/z	Relative Intensity
51.54136	0.3
53.30362	0.3
57.03452	4.8
59.01383	8.7
61.98832	100.0
69.56424	0.8
69.56825	3.1
73.02927	0.5
74.80084	0.3
78.95902	0.5
83.05055	0.8
85.02960	12.0
85.06600	9.2
85.07094	0.7
87.04523	25.8
88.04878	0.7
95.05059	1.2
107.05045	0.8
109.06621	0.9
111.08152	2.2
113.06082	0.5
119.35566	0.3
123.08184	1.4
125.06148	0.7
130.21107	0.4
135.08183	0.5
139.07756	0.5
139.11310	0.6
151.07648	0.7
159.08206	0.7
163.07693	0.6
167.10822	1.5
172.09015	0.5
173.09743	0.7
175.11365	0.8
177.09251	0.5
177.77298	0.4
187.11440	0.4
191.10808	0.9
201.12894	0.9
207.10556	0.4
215.10666	0.6
215.14459	1.6
217.16006	0.3
228.11595	0.4
229.12352	1.2
233.15483	0.6
241.15805	0.5
243.13995	0.8
245.19221	0.5
247.13246	0.4
253.16098	0.4
255.13916	0.6
261.15198	0.5
269.15564	0.7
271.17001	5.1
272.17630	0.5
273.14981	1.0
273.18613	1.4
277.14389	0.7
289.18127	1.6
301.18155	1.4
311.20309	0.6
315.23578	1.2
319.15591	0.5
323.20135	0.8
331.22983	0.4
333.21182	0.5
339.19958	0.8
341.21237	11.3
342.21667	2.1
359.22275	41.9
360.22650	5.8
403.21353	0.8
417.26639	1.4
443.03116	0.4
459.24231	1.2
461.25317	3.1
462.25342	0.5
521.26770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2755
Annotation	Scutenisin
Peak:m/z	Relative Intensity
57.03444	1.0
59.01369	2.2
61.98833	39.9
62.60509	0.5
69.74718	0.5
71.43524	1.0
73.74655	0.6
77.93334	0.5
78.95903	0.7
83.05072	0.7
87.04523	100.0
88.04874	1.9
107.05041	0.7
109.02973	1.3
109.06635	0.7
111.08135	0.6
123.04562	0.6
124.01678	1.1
135.04573	0.7
135.08185	5.4
137.02464	42.0
138.02823	2.0
139.00311	0.7
139.04022	0.6
149.06065	0.6
151.04071	0.8
151.07643	1.1
152.99622	0.8
153.09190	0.8
158.94304	0.6
165.01944	16.1
166.02620	1.1
171.92418	0.5
175.07684	0.8
177.09254	0.6
179.03520	2.4
180.04262	2.5
189.47385	0.5
191.03516	5.2
191.05452	1.1
191.07169	0.6
192.04182	0.9
195.13884	0.7
207.10182	0.6
215.07263	0.6
221.08229	1.3
233.08379	0.7
247.09842	0.7
249.11369	4.1
250.11903	0.7
261.11389	1.2
275.12894	1.8
288.44263	0.6
290.11530	0.7
295.11993	1.6
318.10959	0.7
322.14133	2.0
332.12427	0.7
333.13293	0.7
343.15454	0.6
349.12909	1.3
350.13693	1.8
356.28616	0.6
364.15356	2.3
365.16003	0.9
369.16687	0.7
387.18155	4.1
391.21246	8.0
392.21576	1.7
401.19556	0.7
419.20758	70.9
420.21082	9.5
431.06696	0.6
433.22363	11.5
434.22293	1.7
451.23233	2.5
459.27328	1.1
521.27515	50.0
522.27917	9.9
530.44965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01385	3.5
61.98832	100.0
69.03451	0.3
71.71999	0.3
72.76315	0.2
83.05040	0.2
85.06609	0.2
86.29138	0.2
87.04532	0.5
90.76633	0.2
91.03996	1.1
101.06122	0.3
111.04538	0.2
121.06573	0.2
123.04498	0.2
125.06128	0.5
139.03999	0.2
163.07713	0.3
181.08690	0.2
197.11893	0.4
213.24440	0.2
229.12369	0.2
248.14230	0.3
251.23798	1.0
252.24504	0.2
253.27138	0.2
261.14960	0.4
263.16599	0.2
295.22775	0.5
313.23819	0.7
341.21384	0.3
359.22351	1.7
369.26450	0.4
387.27451	1.3
391.20605	0.2
459.23947	0.4
461.27393	0.4
521.27448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
57.03484	0.2
57.78262	0.2
59.01383	2.5
61.98868	0.7
70.29852	0.7
70.30255	0.4
71.01394	2.7
72.99355	0.3
73.02949	1.3
75.00938	0.4
83.01432	0.5
85.02948	1.2
85.93308	0.2
88.98882	0.7
89.02462	1.2
95.01476	0.3
99.00929	0.3
101.02449	1.5
107.05109	0.3
108.02251	0.8
109.02967	12.9
110.03347	0.4
111.00942	0.5
113.02544	1.0
116.92885	0.3
118.95872	0.2
119.03610	0.4
119.05103	0.5
120.99719	0.2
121.03021	0.4
123.04613	1.0
125.02543	1.0
131.03548	0.4
135.00980	0.4
135.04628	0.6
137.02513	0.6
143.03548	0.3
147.04587	0.3
149.04652	0.3
151.00462	0.3
151.04131	0.4
153.09238	3.5
153.10257	0.3
159.04536	6.0
160.05032	0.4
161.04659	1.0
161.06020	0.4
163.04102	0.6
165.05687	0.5
171.04601	0.3
173.06099	4.2
173.07497	0.3
179.07213	0.3
185.06169	0.4
189.05589	4.4
190.06389	0.8
191.05685	0.9
191.07230	2.6
195.06595	0.3
197.06316	0.5
197.08186	5.1
197.09808	0.4
198.08774	0.3
201.05585	0.4
203.07166	2.6
203.45146	0.2
205.08783	0.4
213.05698	0.6
224.04784	0.3
225.05717	0.7
240.04237	1.9
241.05057	11.5
242.05545	1.1
246.23163	0.2
254.68053	0.3
255.06612	7.6
255.09178	0.5
256.07224	1.0
265.08710	1.0
267.06723	1.0
268.07489	0.4
269.08112	2.0
270.08945	0.4
281.08234	1.0
283.09799	0.7
289.07425	0.4
293.08823	0.4
295.09775	0.8
296.10172	0.4
298.08453	0.9
299.09033	6.8
299.12442	0.3
300.09631	0.9
301.03354	0.3
313.10776	9.6
314.04285	0.3
314.11243	1.3
327.12515	0.8
329.10315	6.3
329.14047	0.4
330.10638	1.0
341.10223	0.3
343.11807	2.6
344.12662	36.9
345.13034	4.3
359.14993	100.0
360.15347	12.9
360.20001	0.4
432.18155	0.2
461.20392	0.4
521.20135	2.8
522.20221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83356	0.6
55.01880	0.7
57.03449	0.5
58.00587	2.1
59.01380	54.3
59.98532	0.8
60.01709	0.9
61.98825	0.9
69.03459	1.9
69.99924	1.1
70.00327	2.8
71.01386	42.3
72.99318	0.9
73.02960	4.3
81.03460	1.6
83.01402	1.9
85.02962	4.8
87.00862	1.1
89.02453	48.7
90.02791	1.0
95.01403	0.7
97.02959	3.0
99.00886	1.7
99.04537	1.4
101.02454	16.0
113.02460	7.1
119.03522	2.1
122.66106	0.6
125.02467	20.8
126.02765	0.8
131.03523	20.7
132.03862	0.8
139.04092	0.7
143.03526	1.2
149.04576	25.8
151.07637	3.9
163.07693	3.0
167.10793	100.0
168.11136	5.7
191.05676	7.3
209.11852	0.7
233.06647	2.9
273.04202	0.6
275.07697	0.6
288.02698	0.9
293.08774	32.4
294.09036	3.2
311.09875	1.0
357.11942	1.1
447.59329	0.5
453.90317	0.5
461.20349	4.8
501.85309	0.8
521.12952	1.6
521.20349	3.9
522.20728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94958	0.2
55.40572	0.2
59.01383	1.7
61.98830	1.6
64.76403	0.2
71.01384	2.7
71.71476	0.5
73.02949	0.9
74.99103	2.0
85.02974	1.1
87.00880	0.7
89.02440	0.9
93.03432	0.3
98.22382	0.2
99.00903	0.4
101.02440	1.7
108.02201	0.3
109.02941	0.4
111.00876	0.4
113.02468	1.1
121.02974	3.4
122.03812	1.5
123.00902	0.8
123.04556	0.5
124.01667	0.7
124.35141	0.3
125.02441	0.4
131.03543	0.4
135.04523	0.4
136.05304	1.0
136.99178	1.3
137.02435	0.9
137.06062	0.7
138.03221	0.3
143.05023	0.8
145.02956	0.3
147.04558	2.3
149.02448	1.4
149.04549	0.3
149.06180	0.4
150.02150	0.4
150.03249	5.8
151.03990	0.8
153.05621	0.5
158.03735	2.0
159.03174	0.5
159.04535	8.2
160.05319	26.0
161.04523	1.3
161.06039	6.4
162.03200	0.4
162.06450	0.3
163.04012	5.6
164.04803	5.8
165.05159	0.4
168.04320	0.3
171.10269	0.3
173.06090	3.0
174.06805	0.6
175.07661	25.2
176.04861	0.7
176.07976	1.6
177.01938	0.2
177.05589	7.2
178.06371	7.3
179.06781	0.4
189.05583	0.3
191.05566	0.7
191.07132	0.4
192.07922	1.3
193.05034	0.3
193.08727	3.3
203.07181	0.3
229.01263	0.3
271.02429	0.5
272.03232	1.0
299.12991	0.3
314.11633	1.0
329.13947	100.0
330.14294	12.6
358.06964	1.6
359.07993	0.4
359.14990	5.0
359.20685	1.8
360.15601	0.6
360.20908	0.4
385.17007	0.3
521.12964	3.8
521.20563	3.6
522.13379	0.6
522.20679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37917	0.2
59.01385	1.3
61.98843	1.2
71.01382	2.8
71.48608	0.7
73.02946	0.7
74.99101	2.0
75.41196	0.2
83.01397	0.3
85.02962	1.4
87.00880	0.6
87.75558	0.2
89.02440	0.5
93.03482	0.3
99.00874	0.3
101.02471	1.5
108.12488	0.2
109.02957	0.5
113.02451	0.9
121.02961	3.5
122.03809	1.4
122.96140	0.3
123.00893	0.7
123.04530	0.8
124.01687	0.5
125.02468	0.5
135.04529	0.4
136.05330	1.3
136.99193	1.6
137.02466	0.7
137.06075	0.5
143.03612	0.3
143.05017	1.0
145.02951	0.3
146.03775	0.4
147.04599	1.8
148.01715	0.3
149.02486	1.6
149.06113	0.4
150.03244	5.9
151.03961	0.6
153.05548	0.5
158.03754	2.8
159.03192	0.3
159.04535	8.4
160.05316	28.2
161.04559	0.9
161.06079	7.9
162.06497	0.3
163.04031	5.6
164.04825	5.4
165.05415	0.4
168.04308	0.4
171.69394	0.3
173.04640	0.4
173.06081	3.7
174.06770	0.5
175.07655	26.8
176.04808	1.0
176.07991	1.5
177.05598	6.9
178.06369	8.7
179.06902	0.4
186.42880	0.2
191.05626	0.7
191.07195	0.4
192.07921	1.5
193.08714	3.3
208.49725	0.2
229.01366	0.3
243.03069	0.2
257.01013	0.3
271.02567	0.7
272.03238	1.0
297.04156	0.4
299.01935	0.4
314.11588	0.8
315.12216	0.3
329.13937	100.0
330.14294	12.4
330.55734	0.3
358.07034	1.9
359.14987	4.6
359.20740	1.9
360.15289	0.5
521.12970	4.6
521.20563	2.9
522.13098	0.7
522.20416	0.5
523.16638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1298
Annotation	Jacein
Peak:m/z	Relative Intensity
50.63145	0.3
57.03445	1.1
59.01382	6.9
60.01739	0.2
61.98833	17.4
71.01378	4.1
71.71854	0.3
71.72240	0.3
73.02948	0.8
75.00862	0.7
83.01408	0.7
84.94033	0.3
85.02958	1.6
88.98821	1.9
89.02455	3.2
95.01424	0.4
97.02956	0.4
99.00905	0.4
101.02465	2.3
105.01955	0.3
109.03069	0.3
113.02464	1.2
119.03503	0.5
123.04601	0.3
124.01701	1.1
125.02468	2.8
131.03526	0.6
137.02437	0.7
139.04036	0.6
143.05011	0.4
149.02501	0.5
149.04587	0.7
151.00343	0.6
151.04007	0.8
155.05086	0.3
159.04596	0.6
161.04613	0.4
163.04079	0.4
164.82315	0.3
167.10783	3.4
171.04575	0.4
175.04036	1.2
176.04413	0.7
177.01872	0.6
177.05644	0.4
183.13937	1.1
187.04007	3.1
189.05533	0.4
191.03502	0.4
191.05663	0.8
199.04042	1.9
200.04330	0.7
201.01877	0.3
203.03551	5.2
204.03877	0.5
209.11812	0.4
215.03574	1.0
217.01353	0.3
217.05138	0.5
225.07230	0.3
227.03479	0.9
227.12868	2.6
229.05124	0.4
231.02980	4.7
232.03671	1.3
233.06683	0.5
241.04947	0.3
243.02948	5.3
244.03368	2.6
245.03415	2.5
246.01534	0.4
255.03038	0.5
259.02463	7.7
260.03204	5.9
261.03946	3.4
262.04379	2.4
263.04535	2.8
271.02466	1.9
272.02811	0.4
273.00491	0.5
273.03979	0.8
274.01175	1.3
275.76221	0.3
277.07236	0.8
287.01974	41.4
288.02731	61.0
289.03485	31.3
290.03790	2.1
293.08743	4.4
299.18597	0.7
301.03616	0.6
303.04974	0.6
305.05786	0.3
315.05042	0.5
320.01733	5.3
321.02103	0.5
339.05658	0.3
340.05862	0.5
341.06674	2.2
358.06915	0.6
359.07706	17.6
359.28030	0.9
360.03934	0.4
360.08011	1.8
419.08655	1.5
433.22211	1.1
437.10144	0.8
451.09180	0.8
461.09750	0.5
461.20331	0.5
479.11069	2.1
503.13242	0.6
521.12958	100.0
521.33533	6.5
522.13287	15.2
522.33600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1301
Annotation	Jacein
Peak:m/z	Relative Intensity
52.75513	0.3
57.03460	0.3
59.01374	2.8
60.07944	0.3
61.98834	7.8
71.01391	2.1
71.48659	0.8
75.00881	1.4
78.65586	0.3
81.27509	0.3
83.01412	0.7
85.02950	0.8
87.00903	0.4
88.98785	0.4
89.02444	1.2
101.02467	1.3
113.02489	0.7
116.65451	0.4
125.02444	1.8
131.03517	0.6
137.02466	0.9
149.04564	1.1
151.00409	0.7
152.07104	0.4
158.90631	0.4
159.04541	1.0
165.09219	1.4
166.09564	1.0
166.78354	0.3
167.05113	0.5
167.10794	2.0
175.03972	0.7
185.06062	1.4
187.03981	3.0
188.04599	0.4
189.05655	0.3
191.03621	0.4
191.05594	1.5
199.04056	0.8
203.03516	4.6
211.04048	0.8
215.03546	1.1
217.01372	0.5
227.03589	2.3
227.07143	7.1
227.12929	0.5
228.07492	0.6
229.05008	0.4
230.02193	0.4
231.03018	4.4
232.03596	0.9
243.02957	3.3
244.03389	1.3
245.00888	1.6
245.03427	0.7
255.02956	0.5
257.00812	0.6
257.04523	0.6
258.01688	2.2
259.02475	8.7
260.03229	6.3
261.03760	1.0
262.04370	1.2
263.04648	0.8
269.07968	0.4
270.01569	0.4
271.02478	2.5
272.03177	1.1
273.00394	2.2
273.03976	0.6
274.01169	1.4
287.01974	39.8
288.02728	57.1
289.03476	26.2
289.06851	0.7
290.03781	2.2
293.08795	0.4
299.02020	2.8
300.02490	0.6
301.03717	2.1
301.20139	0.4
302.04050	0.5
320.01715	5.6
320.05316	0.6
321.02185	0.7
323.05704	0.7
325.07126	0.7
341.06818	2.8
342.07111	0.5
358.07007	1.6
359.07724	19.5
360.08090	2.1
401.94812	0.4
419.08771	0.7
448.30573	0.4
451.08920	0.9
463.25726	1.1
503.12100	0.5
521.12970	100.0
522.13257	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	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
61.98835	8.2
69.55746	1.6
69.56154	0.8
71.01385	4.8
72.99304	0.5
73.02971	0.3
74.02485	0.4
75.80894	0.3
83.01378	0.3
85.02960	1.1
89.02454	6.2
95.01384	0.4
98.20611	0.4
101.02465	3.1
102.07441	0.3
112.37251	0.3
113.02456	2.2
119.03516	2.2
125.02473	0.5
143.03534	0.6
145.03006	0.5
150.03291	0.4
161.02560	0.4
161.04582	0.6
179.05676	0.8
185.06026	0.3
187.03947	0.5
188.04828	0.5
191.05656	1.3
201.01956	0.3
205.01508	0.3
207.10255	0.3
215.03716	0.4
225.11282	0.4
227.03596	1.3
227.07133	1.6
227.12993	0.5
229.01424	8.5
230.01794	0.8
242.02071	0.5
243.02975	4.0
244.03745	1.1
253.01230	0.3
254.02087	0.3
255.03047	0.8
257.00934	5.2
258.01645	2.5
259.02435	0.6
271.02478	11.7
272.03238	23.8
273.03616	2.1
281.00909	0.6
281.17697	0.3
282.01669	5.1
283.02435	3.5
283.09796	2.4
285.00357	0.9
297.04065	8.5
298.04379	1.0
299.01984	15.0
300.02499	1.8
301.03552	0.6
311.05637	0.5
311.09235	5.1
312.06357	2.0
312.09479	0.5
313.06992	0.7
325.03482	2.1
325.10678	0.8
326.11655	2.9
327.11829	0.5
329.06686	0.9
329.13928	0.5
341.06577	0.8
341.13965	4.5
342.14255	0.4
358.06946	56.0
359.07455	11.2
359.20728	1.2
360.07983	0.7
403.40637	0.3
445.07736	2.1
471.84760	0.3
493.41638	0.3
503.13556	0.3
521.12982	100.0
522.13336	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	520.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98832	100.0
62.98534	0.2
62.99274	0.1
69.50960	0.5
69.51384	0.4
74.94593	0.1
117.11528	0.1
143.27562	0.1
289.75500	0.1
353.24985	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	521.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
59.06932	0.2
60.99310	14.0
61.98838	1.9
69.61544	1.6
69.61965	0.6
71.01390	0.6
85.02970	0.5
88.98817	100.0
89.99151	1.0
109.06548	0.3
113.02491	0.6
113.06070	0.3
116.92856	0.3
123.00920	0.3
125.02492	0.6
133.02969	0.3
135.04573	0.4
151.03935	0.3
191.05623	1.6
195.54187	0.2
207.10301	0.3
225.11354	0.8
227.03439	1.4
227.83762	0.3
229.01373	0.3
229.04906	0.3
231.03148	0.3
242.02158	0.2
243.03020	0.7
252.89365	0.3
255.03009	1.1
257.00845	0.5
257.04590	0.3
269.14017	0.5
271.02756	0.3
272.03076	1.3
273.03979	0.5
282.01715	0.7
284.03320	0.9
285.04050	1.2
289.07190	0.5
297.04001	0.5
299.02121	1.2
336.52396	0.2
341.06766	0.4
358.06943	2.7
359.07547	1.0
359.20642	0.3
431.09872	1.8
446.46616	0.3
461.20413	0.3
521.13037	5.8
521.24530	0.9
522.13269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.6
69.03460	1.6
70.36105	1.1
71.05040	2.3
78.59325	1.1
83.05024	2.3
85.06579	1.4
85.93490	1.4
99.08154	3.2
101.06139	2.2
104.94099	1.2
109.03011	3.4
109.06587	1.3
110.46291	1.2
111.04518	1.7
122.03752	12.9
125.02468	6.3
125.06140	11.2
127.07750	1.5
135.04515	2.6
135.08170	2.0
136.05362	1.4
137.02457	1.8
139.18118	1.4
149.02478	6.7
151.04044	3.1
155.07117	6.7
161.06122	2.3
163.03998	3.3
163.07687	4.8
164.08383	3.3
165.09154	1.4
175.07681	6.8
176.04813	1.3
177.05563	1.9
179.10718	2.8
180.04413	1.5
183.06654	4.0
189.09300	2.4
190.10017	10.2
191.03510	14.6
191.07153	7.2
191.10735	3.1
192.07939	1.4
193.08743	13.5
194.09425	4.7
195.10281	7.8
197.11842	3.6
205.05084	36.5
205.08873	1.9
206.05385	2.6
206.09499	32.2
207.09999	3.2
209.08220	21.5
212.06908	1.6
219.06592	5.9
220.10997	1.6
233.08174	18.2
233.15401	3.1
234.08803	4.2
235.09560	2.1
235.17026	4.1
246.12254	1.4
249.11346	1.4
259.17020	12.1
260.17365	2.0
261.14963	5.2
263.16519	7.2
275.16534	22.1
276.16763	2.9
277.14337	1.9
279.16025	100.0
280.16357	9.5
289.18076	2.3
303.16034	45.6
304.16321	4.3
305.13898	16.1
306.14368	2.3
315.19614	1.7
329.13904	2.2
333.17120	3.4
335.19061	2.5
339.37845	1.8
343.15417	1.7
346.28064	1.4
431.27884	1.6
441.26379	2.4
459.27512	70.6
460.27988	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	519.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35683	0.8
54.72351	0.8
57.03450	0.9
59.01381	100.0
60.01717	1.3
61.98831	4.8
66.18207	0.8
69.52940	5.5
69.53348	2.0
69.73867	1.0
71.01392	4.0
78.95905	1.1
85.31348	0.8
89.02466	12.2
89.03014	1.4
91.04021	71.0
92.04339	0.9
118.69400	0.9
125.06155	1.3
184.54466	1.1
184.61505	0.9
191.05603	1.7
249.22227	49.1
250.22621	6.2
286.44638	0.9
293.21228	31.2
294.21637	4.0
311.22296	40.0
312.22742	5.0
367.24927	35.7
368.25247	5.8
372.05225	0.9
372.10330	1.1
385.25974	50.3
386.26312	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3175
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.31688	0.3
55.01878	1.0
55.12512	0.3
57.03446	1.2
59.01381	48.6
60.01719	0.5
61.98834	3.1
71.01388	9.3
71.72472	0.3
71.72826	0.4
72.99325	0.6
73.02953	3.9
76.02932	0.3
83.01392	2.5
85.02964	5.4
85.03446	0.4
86.00118	0.5
87.00906	0.9
88.98839	0.7
89.02459	1.7
93.03482	0.4
93.37965	0.3
95.01414	0.9
95.74887	0.3
99.00880	1.7
101.02460	7.2
111.00902	0.5
111.08073	0.3
113.02460	4.0
114.74641	0.2
125.02515	0.6
126.27688	0.2
129.01974	0.3
143.03511	0.3
149.20552	0.2
151.00409	0.3
154.09561	0.3
159.02998	1.0
161.04578	1.3
173.04541	0.4
191.05696	2.0
204.24460	0.3
209.11865	1.1
220.02806	0.2
243.02884	0.3
272.03391	0.3
279.19675	0.3
279.23312	1.0
297.24414	0.5
299.02124	0.3
299.05789	0.3
339.25317	1.0
357.26541	2.9
358.26889	0.5
441.28653	2.7
442.28671	0.3
459.29672	1.0
460.30157	0.3
501.30707	0.9
504.21216	1.7
519.31738	100.0
520.32068	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	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16388	0.5
56.63867	0.4
57.24042	0.4
59.01375	1.8
62.05075	0.4
65.00322	2.1
70.97970	1.3
83.01382	1.7
94.86299	0.4
107.01395	2.8
107.05000	0.6
109.02978	2.0
125.02495	2.5
131.05060	3.0
133.02951	1.7
135.00888	1.0
137.02361	0.5
145.06648	0.9
147.04485	0.7
149.02415	0.4
149.06128	1.2
149.64752	0.4
151.00391	5.6
151.04019	3.1
155.05061	5.5
157.02957	2.9
163.04041	0.4
171.04520	1.4
173.06097	2.7
174.03146	1.0
175.04018	13.2
176.04404	0.7
177.01938	2.2
187.03986	0.7
189.05563	1.1
190.02666	0.5
191.03540	2.0
193.01411	0.4
193.05064	1.6
194.05406	0.4
198.03214	1.4
199.04010	28.2
200.04332	2.2
201.01898	3.7
203.03375	0.4
204.04230	0.9
215.03529	1.4
217.01752	0.5
217.05110	5.6
219.02980	1.0
231.02914	0.6
232.03592	0.6
233.04536	1.8
241.05038	0.6
242.02197	1.3
243.02979	92.5
244.03300	7.9
259.02444	3.8
260.02936	1.0
261.04019	100.0
262.04373	8.7
285.04001	1.4
286.04269	0.4
301.03442	0.6
303.05115	15.7
304.05453	1.9
349.76740	0.5
357.06241	0.7
375.07159	6.5
393.08255	0.9
417.08273	18.8
418.08588	2.7
435.09360	13.3
436.09793	1.7
459.09250	5.0
460.09766	0.5
477.10394	25.5
478.10718	3.7
519.11377	18.1
519.19507	0.6
520.11633	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	519.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.9
59.01381	37.5
59.64900	0.6
61.98829	0.9
62.82089	0.6
69.03468	1.8
69.71716	2.2
69.72145	3.1
71.01385	32.9
72.01728	0.7
72.99309	1.0
73.02953	3.2
81.03448	1.7
82.42464	0.7
83.01408	2.1
85.02968	3.6
89.02454	38.4
92.97640	0.7
94.33359	0.8
97.02970	2.2
99.00907	1.6
101.02454	9.7
107.01379	1.4
109.02995	0.9
113.02464	6.2
116.42674	0.8
119.03520	1.2
125.02464	17.5
131.03528	13.0
131.05026	1.7
133.02983	1.5
133.68588	0.8
137.02481	0.8
141.35139	0.7
143.03452	1.9
143.05122	0.7
147.04602	1.0
149.04582	18.7
150.04901	1.3
151.00377	2.3
151.04048	1.3
155.05067	2.3
157.02986	1.3
165.09230	100.0
166.09544	5.6
173.02847	0.8
173.04568	0.7
173.06105	1.4
175.04031	5.6
177.01952	1.5
191.03795	1.0
191.05652	8.0
199.04008	9.8
200.04420	0.8
201.01926	1.2
201.46884	0.7
201.77805	0.6
213.79175	0.6
215.03528	1.4
217.05058	2.6
231.03053	0.8
233.06662	2.3
243.02980	41.6
244.03369	4.1
248.41609	0.7
261.04031	59.2
262.04413	5.2
262.06915	0.9
275.07700	1.2
293.08801	27.3
294.09070	2.1
303.05157	5.4
304.05310	1.0
357.06122	1.4
417.08328	7.6
418.08368	0.8
435.09299	4.5
436.09677	0.8
459.18564	3.9
477.10397	15.2
478.10852	2.8
519.11273	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05367	0.5
54.90545	0.6
55.01871	0.6
57.03436	1.1
59.01383	31.2
61.98833	9.6
65.19959	0.5
69.03450	1.8
71.01399	7.4
71.05003	0.8
71.72619	1.0
73.02934	1.4
80.96555	0.6
81.03460	0.7
83.01374	1.6
83.05019	1.0
85.02956	5.9
85.06547	0.7
86.37688	0.5
87.00877	1.7
88.98779	0.6
89.02466	4.0
93.03465	2.8
95.01381	0.8
95.05044	0.8
97.03001	1.0
99.00897	1.0
99.04496	0.6
101.01984	0.5
101.02471	5.9
109.02946	1.1
109.06590	1.1
111.04535	1.2
111.76310	0.6
113.02471	3.2
119.03501	0.9
125.02431	1.7
125.09781	0.8
127.04008	0.9
133.03008	0.5
135.04590	0.6
137.02490	0.8
147.04501	0.7
149.06122	5.5
149.09721	0.9
151.11143	0.6
161.04578	2.2
163.11363	0.7
167.03455	0.6
167.10808	3.5
172.05283	1.0
173.04565	1.9
175.04045	0.8
177.01945	0.6
179.10718	0.8
179.14409	3.6
191.05635	25.7
192.05969	1.1
195.13930	9.0
196.14220	0.8
199.04021	2.0
200.04706	0.9
201.05621	0.7
205.12335	9.3
206.12669	1.1
207.10350	1.3
209.08192	11.7
209.11795	2.3
210.08582	1.1
212.90977	1.7
215.03506	0.7
223.13405	100.0
224.13747	9.1
225.11301	1.1
227.03505	1.0
235.08229	1.6
243.02968	7.6
244.03468	0.9
253.09276	16.9
254.09650	1.1
258.01703	0.7
259.02579	0.9
261.04068	0.9
271.02429	1.6
272.03311	3.3
281.10300	0.8
283.13507	3.2
299.01920	0.6
301.14255	1.1
309.07693	1.4
309.15063	1.1
311.09705	0.6
311.12912	0.9
327.16135	1.6
345.17023	0.6
351.06168	0.6
353.13937	1.0
357.09854	0.8
357.26419	3.0
358.26724	0.7
399.14682	1.1
422.06796	0.6
459.22318	15.7
460.22839	2.4
495.18433	0.6
501.11963	1.3
504.20950	4.1
519.13165	2.4
519.23138	1.2
519.31824	19.1
519.71320	0.9
520.20093	0.9
520.32202	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
62.68463	0.4
65.00323	1.1
66.98940	0.3
69.75716	0.6
69.76130	2.3
83.01383	1.0
85.03102	0.4
95.54763	0.4
107.01405	2.1
109.02946	1.6
112.59959	0.4
114.55133	0.4
115.97541	0.4
125.02448	2.7
131.05054	2.2
133.02945	0.9
135.00912	0.6
145.06625	0.6
147.04549	0.7
148.45261	0.4
151.00412	3.5
151.04024	2.2
153.01929	0.8
155.05060	2.4
157.02968	1.9
165.09245	0.4
171.04485	0.9
173.02464	0.4
173.06071	1.4
174.03239	0.9
175.04024	8.4
176.04355	0.5
177.01956	3.0
187.04117	0.6
189.05595	0.6
190.02684	0.5
191.03516	1.2
193.05086	1.1
198.03166	0.8
199.04024	18.0
200.04381	1.4
201.01970	2.2
203.03534	0.8
204.04182	0.5
215.03503	0.7
217.05080	5.9
219.02962	0.9
231.03001	0.7
232.03775	1.0
233.04523	0.8
241.05132	0.7
242.02222	1.9
243.02985	74.0
244.03316	7.1
259.02478	3.0
259.05865	0.5
260.03088	0.9
261.04034	100.0
262.04385	9.1
285.04102	2.3
301.03525	0.7
303.01624	0.9
303.05112	16.9
304.05588	2.3
309.04037	0.5
339.05045	0.7
357.06302	2.3
358.06253	0.5
359.97159	0.5
375.07233	5.8
385.41132	0.4
399.07129	0.7
417.08289	24.2
418.08670	3.7
435.09369	14.3
436.09549	2.0
457.27374	0.5
459.09366	6.8
460.09705	1.2
477.10394	38.4
478.10693	5.5
519.11444	19.9
519.19415	0.6
520.11493	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
63.02404	0.6
65.00326	2.0
68.99842	0.5
70.28176	0.5
70.28585	1.0
71.01397	1.6
83.01391	1.7
89.02450	2.0
89.03955	0.2
90.70040	0.3
98.03870	0.2
101.02501	0.7
107.01410	2.5
107.05038	0.5
109.02953	1.8
113.02489	0.4
114.60141	0.3
119.05081	0.3
125.02464	3.4
131.03522	0.5
131.05043	3.3
133.02972	1.7
135.00906	0.6
137.02547	0.3
143.05077	1.0
145.06615	0.4
147.04533	0.8
149.02486	0.4
149.04636	0.7
149.06090	0.8
151.00404	5.4
151.04024	3.1
155.05057	3.9
157.02946	2.6
161.02496	0.3
163.04100	0.4
165.09219	3.6
171.04523	1.2
173.06076	2.4
174.03171	1.2
175.04025	11.0
176.04341	0.7
177.01965	2.6
187.04030	0.6
189.05643	0.7
190.02623	0.3
191.03561	2.4
191.05269	0.5
193.05046	1.7
198.03282	0.7
199.04028	22.4
200.04329	1.9
201.01974	2.3
203.03587	0.3
213.01794	0.3
215.03523	1.2
217.05061	3.8
218.05299	0.5
219.03035	0.4
231.03018	0.4
232.03787	0.5
233.04556	1.1
242.02306	0.4
243.02983	81.5
244.03297	8.0
257.04437	0.3
259.02454	1.6
260.02975	0.3
261.04028	100.0
262.04364	8.8
282.01529	0.3
285.04016	1.0
293.08826	1.5
302.33740	0.3
303.05118	11.8
304.05396	1.2
357.06094	2.5
375.07352	1.6
417.08289	12.9
418.08789	1.8
435.09290	7.6
436.09711	0.9
459.09207	1.7
477.10385	27.8
478.10791	4.6
519.11426	6.2
520.11780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.4
59.01379	100.0
60.01716	1.5
61.98820	3.2
69.03507	0.9
69.78447	6.3
71.01369	4.7
72.99303	1.8
89.02462	13.9
91.04020	68.8
91.70743	0.8
97.06605	2.0
98.20651	1.0
111.08189	1.0
161.64398	0.8
177.16483	1.8
229.78450	0.8
245.18994	1.3
247.20645	32.9
248.21078	4.2
265.21857	1.2
273.18530	7.5
291.19666	44.7
292.20068	5.2
309.20724	39.8
309.23450	0.6
310.21042	6.1
341.48254	0.8
365.23346	44.3
366.23615	6.4
383.24402	48.1
384.24731	5.9
414.47681	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3168
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
57.03431	1.1
59.01380	28.6
61.98820	1.6
66.66536	0.5
71.05010	0.6
71.72253	0.8
97.02959	1.9
109.02972	1.6
109.59610	0.6
111.04554	1.7
133.06551	0.6
137.02455	1.5
139.11375	0.5
151.04086	0.5
161.09766	1.0
163.04057	0.7
177.09369	0.5
189.12848	0.5
193.05103	2.6
193.08730	0.6
194.05806	1.5
205.05133	1.8
205.08690	7.3
205.12332	0.5
206.05795	0.8
207.06628	1.7
207.10139	0.5
209.08192	0.9
217.05061	0.8
217.12331	1.0
217.95694	0.5
219.06627	3.0
221.08211	1.5
223.06114	3.7
224.06787	0.8
231.06657	2.0
233.08202	0.9
233.11844	1.2
235.09726	0.8
247.09712	1.6
249.07632	1.3
259.09650	0.7
261.11304	20.0
262.11743	1.9
273.11319	9.9
274.11777	0.9
275.12936	2.1
277.10861	0.7
278.11307	0.7
289.14227	0.6
291.12384	23.3
292.12799	2.8
303.12500	0.7
303.15985	0.9
305.14011	0.8
313.14572	0.6
319.15616	3.1
359.18649	2.1
360.19266	0.7
361.20374	1.3
362.20944	1.2
363.18036	0.8
371.18701	1.9
375.18164	8.5
376.18604	1.4
377.19589	1.4
387.18048	5.1
389.19598	3.9
390.20422	0.7
393.19180	0.8
403.21204	0.6
405.19287	7.1
406.19754	0.9
415.21713	1.0
418.23477	1.1
425.23325	1.3
430.23688	1.1
431.28592	1.1
445.26050	2.1
448.24594	2.6
457.26065	1.1
459.27701	1.6
487.30627	4.0
499.30524	2.7
517.31781	100.0
518.32043	24.0
518.39838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96321	0.4
57.03449	0.6
59.01381	100.0
60.01715	1.0
61.98835	3.3
67.18742	0.4
68.56717	0.4
71.05045	0.4
71.71428	0.5
83.05019	0.6
84.11247	0.4
85.02936	0.5
87.04524	2.2
99.04551	0.6
99.08182	0.4
101.06093	0.6
102.74657	0.3
105.45762	0.4
110.02493	0.4
111.04533	0.5
125.06081	0.6
137.04947	0.4
171.00526	0.5
193.12399	0.4
204.10394	0.6
206.04700	0.9
211.39938	0.5
246.15141	0.6
256.13553	1.0
263.16617	1.2
274.14478	6.9
302.14142	0.5
318.13391	2.2
319.14084	0.5
328.10818	0.5
345.19629	2.4
351.13419	1.2
352.26553	3.0
353.26770	0.5
356.10483	0.7
370.27554	0.6
372.13464	0.7
384.10138	1.2
388.21262	0.5
389.18448	28.3
390.18845	4.7
396.25476	1.4
399.12329	0.5
400.13345	0.7
415.28708	0.6
431.15073	0.7
434.27527	0.4
458.25500	9.0
459.27438	11.4
486.17068	0.8
518.19354	0.7
518.30902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20736	0.4
50.95966	0.4
51.19265	0.4
63.13416	0.4
69.51969	3.2
69.52418	0.9
84.69082	0.6
89.85966	0.4
109.06638	0.5
111.15143	0.5
119.05044	0.9
121.02995	0.8
124.11765	0.4
128.19617	0.4
133.06627	0.4
136.01689	0.5
145.01852	0.8
145.02977	13.4
146.03307	1.0
153.45786	0.4
153.75912	0.4
161.02339	0.5
163.00409	0.7
185.06053	0.6
187.07678	0.7
189.01923	1.9
190.35243	0.4
210.14742	0.4
212.04808	1.8
213.05531	0.9
226.06302	0.9
228.04102	0.6
231.06668	3.6
232.07187	0.5
238.06174	0.5
239.07051	1.0
239.66159	0.4
241.05069	8.8
242.05804	4.9
243.06436	0.5
245.08258	1.0
253.05052	2.0
255.06670	2.4
265.05084	1.6
265.12424	0.9
266.05762	1.7
267.06610	13.9
268.06979	1.9
279.06555	0.7
281.11938	3.0
295.09845	3.1
307.09653	0.6
309.11340	27.9
310.11801	4.4
321.11368	1.2
323.12839	2.5
327.12479	0.9
363.15805	0.6
379.15579	0.5
387.15756	0.5
393.17175	3.1
405.17078	21.6
406.17484	3.2
412.54749	0.5
433.20282	1.4
434.20581	0.5
447.21799	1.7
448.22473	1.7
517.29578	100.0
518.29889	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	517.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
67.01898	0.6
69.42313	0.7
69.42708	3.5
73.25222	0.3
91.01899	0.6
96.98537	0.4
98.20634	0.8
101.03985	0.4
102.88207	0.3
109.02949	0.5
109.06585	0.5
119.05039	1.1
121.02960	0.8
133.06619	0.6
141.38084	0.4
145.02971	15.5
146.03276	1.0
149.06049	0.3
169.06596	0.9
176.01135	0.4
177.01920	0.4
177.09227	2.9
189.01991	0.5
193.12219	0.4
199.04016	0.4
201.09247	1.1
201.93329	0.3
202.02859	0.6
203.07100	0.4
204.34880	0.3
209.09732	0.5
211.11270	1.1
212.04851	0.7
214.47829	0.3
217.05147	0.4
217.08754	0.4
223.07751	0.3
226.06329	3.5
228.04242	0.7
229.04881	0.3
231.06602	1.0
241.05028	3.5
242.05728	1.8
243.06348	0.3
245.08186	5.0
253.05029	2.0
254.05812	1.5
255.06583	4.9
265.04965	0.9
266.05917	0.9
267.06619	6.9
268.06863	0.5
279.06644	0.5
279.13919	1.2
281.08191	0.4
281.11734	1.0
295.09790	4.3
295.13016	0.4
296.10037	1.0
296.13174	0.3
307.09894	0.4
309.11346	13.7
310.11865	2.7
313.14252	0.4
321.11298	0.9
323.12894	50.1
324.13269	5.7
327.12299	0.6
335.12784	1.7
377.17746	3.0
378.17972	0.8
379.15594	0.4
386.44373	0.3
387.16061	0.4
391.19312	2.6
393.17026	2.0
405.17032	13.8
406.17371	2.9
431.22266	0.4
433.20328	1.1
434.20297	0.4
447.21692	1.5
448.22388	1.8
517.29559	100.0
518.29871	23.3
518.37775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2957
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
56.33037	0.4
69.56635	3.5
69.84074	0.4
96.46819	0.3
119.05048	0.7
121.02972	0.7
126.02304	0.3
145.02969	7.2
152.62221	0.4
187.03931	0.4
209.06314	0.4
211.11371	0.5
212.05002	0.5
225.05460	0.5
226.06393	2.0
227.03477	1.5
228.04347	2.3
231.06622	1.2
241.05101	4.7
242.05647	0.7
243.06569	0.6
252.04254	0.7
253.05061	3.9
254.05836	3.1
265.05054	0.9
266.05795	0.5
267.06564	2.5
269.08173	1.1
279.06622	3.8
279.10193	1.1
281.11789	0.9
284.37030	0.4
294.12585	0.6
295.09686	1.5
295.17026	0.6
296.10266	0.7
298.05005	0.5
299.12897	1.6
300.13669	0.8
307.09766	0.8
309.11295	8.1
310.11755	1.5
321.11386	2.5
322.12051	1.1
323.12881	2.2
327.12238	2.6
335.12909	2.7
347.12930	3.5
363.15979	1.2
377.12823	0.6
377.17569	11.1
378.18225	2.1
379.15570	0.7
380.16016	2.0
391.14825	0.7
391.19360	4.5
392.19376	0.5
393.17062	6.6
394.17490	0.9
405.17062	39.1
406.17392	5.9
433.20148	2.3
447.21692	1.6
448.22299	2.9
449.23285	0.6
473.30447	2.2
517.29547	100.0
518.29926	24.5
539.23560	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	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03440	1.8
58.00587	2.8
58.02983	1.4
59.01381	100.0
60.01704	1.6
61.98845	6.8
67.73606	0.8
69.03452	4.4
69.90891	5.1
71.01386	75.5
71.04227	0.8
72.01728	1.4
72.99323	3.2
73.02963	4.8
74.02473	3.3
75.00902	1.5
81.03474	3.9
82.95448	1.8
83.01373	4.4
85.02956	11.8
86.02480	1.7
87.00887	1.7
87.05708	1.2
89.02454	74.8
90.02798	1.3
93.03480	1.0
95.01421	1.9
97.02964	6.2
97.44045	0.8
99.00891	3.2
99.04534	0.9
99.05672	2.9
101.02454	19.8
102.05603	1.0
113.02470	13.4
119.03526	4.5
123.04517	1.1
123.08239	0.8
125.02459	43.3
125.08876	0.8
126.02820	1.5
128.03560	11.3
131.03525	16.3
135.05702	0.9
143.03526	4.5
143.04643	12.7
148.05325	37.6
149.04579	22.6
149.05669	1.5
151.00377	1.0
160.00735	3.2
161.04584	5.9
163.07651	14.3
165.09242	6.5
173.04527	1.8
175.03963	1.0
177.03284	1.1
179.04663	3.1
187.07634	1.0
191.05611	7.2
191.07140	2.0
209.08202	23.3
210.08765	3.9
213.33067	0.8
221.45340	0.9
225.38930	0.8
233.06664	2.7
245.03542	1.7
254.07791	3.7
261.03915	1.8
272.08801	6.5
288.06610	2.7
293.08804	35.6
294.09152	3.4
306.07654	35.6
371.13760	1.1
473.27151	1.2
479.10855	1.2
489.72025	1.0
502.30106	0.9
517.18939	5.5
518.21368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2966
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
58.67859	0.3
61.82704	0.4
70.36681	0.3
71.72564	0.7
79.01904	0.8
79.05531	0.4
94.95959	0.3
101.03988	0.6
119.05061	1.4
121.02972	1.3
130.72002	0.4
136.01711	0.4
143.05006	0.7
145.02975	18.3
146.03365	0.9
150.07043	0.4
157.06670	0.6
158.71994	0.4
161.06102	0.7
163.00368	0.8
163.07640	1.4
172.05183	0.4
187.07642	1.9
189.01987	1.2
189.05597	0.7
191.07080	0.5
199.04062	0.7
203.07182	0.8
209.09822	0.4
212.04808	5.6
213.05348	0.8
217.05052	0.6
218.02104	0.5
225.05626	0.5
226.06418	1.1
227.03549	0.9
228.04254	1.8
229.04895	0.5
231.06645	7.8
232.07130	0.6
238.06392	1.0
240.04367	1.0
241.05061	7.6
242.05759	1.9
253.05055	1.9
253.08963	0.5
255.06650	1.2
265.05038	0.8
265.12350	1.2
266.05811	1.3
267.06631	8.0
268.06870	0.9
281.11835	4.5
282.12326	0.6
291.10184	0.6
295.09784	2.7
296.10147	0.5
309.11334	71.8
310.11716	9.2
323.12866	1.1
347.12881	0.4
350.54816	0.4
370.70651	0.4
387.15897	1.5
391.19138	1.0
393.17151	1.4
405.16904	4.8
406.17496	0.8
433.20044	0.5
448.22293	0.7
449.23010	0.5
471.17078	0.4
517.29578	100.0
518.29950	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	517.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.5
60.01709	0.9
61.98831	0.8
70.09476	0.5
70.09894	0.9
90.97157	0.9
98.19901	0.3
118.96684	0.3
132.98216	2.2
156.99924	1.0
157.03595	0.8
159.01472	0.4
174.99261	27.8
175.99658	0.8
201.02563	8.7
202.02760	0.8
203.02477	0.3
217.00307	100.0
218.00629	3.6
270.64423	0.3
314.98761	0.4
343.04037	0.3
352.48520	0.3
359.01477	12.8
360.01675	2.1
362.96509	0.3
374.99234	61.9
375.99606	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	517.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.7
59.01377	4.1
61.98830	10.0
68.99825	0.9
69.03464	0.6
69.49461	0.7
69.49854	3.2
71.01392	2.2
73.02954	0.8
75.00866	0.6
83.01402	0.4
85.02966	1.1
87.04520	1.1
88.98821	2.2
95.01374	0.8
95.05042	0.6
97.02954	1.6
97.06609	0.8
98.19859	0.7
99.00888	5.2
99.04542	3.1
100.04826	0.3
101.02454	2.3
105.07115	0.7
109.02956	0.5
109.06621	0.7
110.00091	0.4
111.00883	3.3
111.04531	5.8
111.08208	0.5
112.04853	0.4
113.02454	0.8
119.03538	0.4
121.02951	3.0
121.06554	0.3
123.00940	0.9
123.08176	0.5
124.01682	0.6
125.02471	1.0
125.06110	0.5
129.02037	0.4
136.05389	0.5
139.00392	2.1
139.04039	0.7
139.07628	0.9
140.01163	2.8
141.01962	4.1
145.33354	0.3
149.06110	1.3
153.01964	0.7
153.04222	0.3
153.05542	0.7
155.07161	0.5
161.04590	2.0
163.03987	0.4
165.05582	8.4
165.09280	0.4
165.99127	2.0
166.06036	0.4
166.99910	2.3
167.03484	2.6
167.07088	1.6
168.00667	12.4
169.00896	0.4
169.05083	0.9
175.96880	0.4
179.07162	1.5
181.05098	5.1
182.05693	0.5
183.06589	0.6
191.05609	0.4
191.07266	0.5
192.04347	1.0
193.05083	8.7
194.05542	1.0
195.03018	0.9
195.06676	0.8
205.05150	0.8
207.06743	0.4
209.04572	4.8
209.08153	1.5
210.05348	94.5
211.06111	100.0
212.06458	6.1
214.04846	1.4
222.05321	0.9
223.06201	2.3
235.06108	1.0
253.07236	0.8
265.10794	1.1
278.74704	0.3
303.07248	0.5
329.12463	0.3
355.10498	2.4
369.72910	0.3
373.11407	84.5
374.11774	9.1
385.40689	0.4
413.67056	0.4
415.12460	39.8
416.12857	4.7
422.88031	0.4
427.15961	0.5
455.15546	4.4
456.15848	1.1
457.12775	0.4
499.02808	0.3
517.15558	35.3
518.15900	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	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75723	0.8
55.01863	1.7
55.80813	0.8
57.03438	2.7
58.00577	2.5
58.02969	2.1
59.01382	100.0
60.01700	1.3
61.98839	6.0
69.03464	4.1
69.40884	9.1
71.01389	75.3
72.01716	2.1
72.99313	2.8
73.02949	5.7
74.02475	4.3
75.00873	0.9
81.03461	3.4
82.95439	1.5
83.01389	3.7
85.02966	9.2
86.02457	1.2
87.00881	2.3
88.98895	0.9
89.02456	78.6
93.03487	0.8
95.01395	2.0
97.02975	6.6
97.04135	0.8
99.00875	3.4
99.05640	3.2
101.02454	17.3
101.26820	1.0
102.05606	1.4
109.02915	0.9
113.02474	13.3
114.02798	1.0
119.03541	4.2
120.99723	1.0
125.02471	38.4
126.02811	2.3
128.03555	12.1
131.03528	19.6
141.06693	1.1
143.03488	5.1
143.04625	13.1
146.04640	1.9
148.05328	38.0
149.04582	23.1
149.05646	2.2
153.06749	0.8
160.00739	3.3
161.04590	4.5
163.07669	14.4
164.07980	0.9
165.09203	4.5
166.09517	1.1
167.03450	1.5
173.04605	1.3
177.03369	0.9
179.04628	2.0
191.05621	8.7
191.07130	1.1
194.46913	1.0
207.10223	1.3
209.08228	13.8
210.08772	2.7
218.99193	0.7
225.11430	0.9
229.36581	0.9
233.06654	3.1
242.07640	1.1
243.02966	1.7
244.03235	1.2
254.07817	2.1
261.04013	1.4
262.04370	1.3
263.04648	1.3
272.08896	5.8
275.09311	0.8
285.76089	0.9
288.06537	1.8
293.08798	34.9
294.09100	2.8
306.07645	27.7
364.90091	0.9
383.42651	0.8
437.14450	1.1
455.14984	0.9
471.79608	1.0
479.10831	2.9
517.19556	2.6
518.21100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42468	1.0
55.58504	1.4
59.53713	1.2
61.06517	1.3
64.32191	1.2
65.34503	1.0
65.62434	1.1
71.72776	2.2
95.36340	1.2
96.22414	1.1
111.04545	6.3
115.43271	1.1
125.63062	1.0
177.09187	1.3
205.08678	3.4
207.06633	9.7
208.07314	2.3
219.06682	1.3
231.06668	2.2
231.09810	1.1
233.08173	5.2
247.13342	1.8
257.11902	1.9
261.11349	3.6
262.35858	1.3
275.12866	57.5
276.13290	5.7
289.14453	4.9
339.23352	6.1
340.53915	1.1
360.12259	1.2
373.20340	6.4
391.21191	3.4
403.21207	22.0
404.21768	3.0
415.24942	9.0
416.25494	2.2
446.27002	1.3
515.33783	100.0
516.34222	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	515.3376
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
50.29044	0.3
55.90995	0.3
57.03436	0.9
71.05200	0.8
99.08161	0.3
107.05010	0.4
109.06570	0.4
125.06102	7.3
133.06616	0.6
135.00101	0.4
137.02493	0.5
137.09724	0.8
148.34030	0.3
152.01196	0.4
161.09743	1.1
163.00510	0.3
163.07710	0.5
165.09206	0.5
166.02696	0.8
175.11252	0.3
177.09276	0.6
179.07155	0.5
179.48964	0.3
191.03572	0.3
191.14507	0.4
193.08757	0.4
203.07091	0.5
205.05208	1.7
205.08701	4.4
206.09027	0.5
207.06615	0.6
208.07321	1.0
219.06592	0.4
219.10364	0.5
220.07404	0.8
221.08199	13.0
222.08875	3.4
225.83694	0.3
231.06647	1.2
233.08189	3.0
235.09761	1.5
243.13907	1.1
245.08257	0.9
245.15555	1.6
246.08954	0.4
247.09760	7.1
248.10120	0.4
261.14780	1.7
271.13446	1.7
275.12900	4.2
277.14569	0.5
279.16010	0.5
287.12857	0.5
289.14456	70.2
290.14822	8.4
291.15579	0.4
303.15936	2.0
303.23511	0.4
304.16467	0.4
319.15680	1.7
331.19077	0.4
345.16974	0.5
369.20706	0.7
378.20563	1.1
385.20355	0.9
387.17087	0.6
387.21777	7.5
388.22180	1.3
389.19717	1.0
391.21262	4.2
392.21310	0.6
403.21259	29.4
404.21552	4.6
426.43567	0.3
429.26447	0.8
431.24466	1.6
432.35315	0.4
445.25818	0.6
446.26642	2.7
447.27634	0.4
471.35001	0.4
515.33759	100.0
516.34125	23.9
516.42236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49650	0.5
69.55840	5.0
87.04523	3.1
90.51859	0.6
111.04527	0.6
123.08174	0.8
125.06086	4.9
133.10316	0.5
149.02522	0.7
153.53549	0.5
170.20384	0.5
177.01884	0.9
177.09181	1.3
177.12802	0.6
191.14360	0.6
205.05110	1.1
205.08652	1.0
207.06477	0.8
208.07451	0.8
209.08168	2.3
210.76488	0.5
219.06630	3.7
219.10313	1.2
220.07399	1.2
221.08168	4.2
222.08929	1.0
231.06544	1.2
233.08194	3.7
233.15468	0.7
235.09746	2.7
245.08241	1.0
247.09782	2.4
248.10216	0.7
249.11375	1.1
252.06451	1.9
259.17114	1.7
261.11337	1.7
261.14777	0.8
269.51978	0.6
275.09665	1.0
275.12906	3.7
276.13397	0.5
277.14453	11.5
278.14688	0.6
285.14917	0.6
289.14493	13.8
290.14914	2.3
291.16022	5.0
292.16296	0.7
303.15988	26.9
304.16388	3.5
308.16275	1.1
319.15497	1.9
321.17001	0.6
329.24731	2.8
333.17136	4.8
334.17511	0.7
343.15472	0.7
371.18478	0.7
375.21738	2.7
376.22437	2.8
385.20340	2.0
391.21274	2.8
392.21396	0.8
403.21216	17.2
404.21747	2.4
413.23358	0.7
427.24841	9.5
428.25363	1.6
431.24246	0.7
445.25842	0.8
446.26593	3.0
515.33801	100.0
516.34174	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	515.3358
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
50.30442	0.8
65.09870	0.7
67.39999	0.7
71.73263	1.2
77.51868	0.9
79.32159	0.7
98.02706	0.9
99.08215	0.9
101.06145	1.0
103.76854	0.8
118.67976	0.7
120.03579	0.7
125.06085	4.1
134.36299	0.7
154.76602	0.8
205.05064	1.5
205.08681	3.6
207.06534	1.3
208.07550	1.0
218.12569	0.8
221.08206	10.2
222.08870	1.5
231.06563	1.1
233.08199	2.4
235.09761	1.5
236.13257	0.7
245.15498	1.6
247.09789	3.3
261.15060	1.3
271.13303	1.3
275.12827	5.3
277.14569	1.1
289.14450	50.7
290.14923	6.8
303.15976	2.6
319.15335	2.2
358.09946	0.9
387.21759	9.9
388.22266	1.4
391.21347	1.4
392.20859	1.0
403.21240	19.0
404.21808	2.3
431.24405	1.6
446.26572	1.5
515.33771	100.0
516.34100	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	515.337
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
52.66874	0.5
65.31144	0.5
66.07598	0.6
68.12077	0.5
70.96249	1.6
72.19854	0.5
84.64912	0.5
111.04572	0.6
125.06098	4.7
125.09706	0.7
142.56244	0.6
145.05066	0.9
149.02489	0.9
152.01202	1.5
177.09247	0.7
200.72134	0.6
205.08733	1.8
208.07497	3.4
209.08162	2.1
217.45500	0.5
221.08163	9.0
222.08789	1.9
231.06633	1.3
233.08188	6.3
235.09801	2.0
245.08167	1.5
245.15552	1.1
247.09749	4.9
250.49181	0.6
251.26897	0.6
259.16931	0.7
261.11340	1.5
261.14944	1.5
271.13504	0.9
275.12997	3.7
276.13327	0.8
277.14352	4.0
289.14456	30.4
290.14874	3.3
291.16119	2.1
303.16031	9.0
305.13522	0.6
308.16058	0.7
319.15524	0.7
333.17078	0.6
375.21838	0.7
378.20404	1.9
385.20007	3.4
389.19775	0.9
391.21259	4.6
392.21628	0.9
403.21246	35.3
404.21637	5.1
410.96161	0.7
413.26105	1.2
429.26434	0.7
431.24332	2.0
446.26712	2.7
515.33777	100.0
516.34131	22.4
516.39990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
57.03446	1.2
60.78607	0.3
70.28905	0.6
70.29308	1.1
80.42639	0.3
90.34609	0.3
99.08183	0.4
104.51733	0.3
107.63132	0.3
123.08175	0.7
125.06111	4.3
133.06622	0.4
136.01579	0.3
151.07678	0.4
166.02788	0.7
177.09283	0.5
191.14459	0.7
202.93626	0.3
203.07245	0.3
205.05013	0.6
205.08665	1.9
207.06679	0.6
208.07436	1.1
219.06667	0.4
219.10350	0.5
221.08218	8.0
222.08931	1.7
231.06656	0.7
233.08185	2.7
235.09740	1.9
245.08177	0.5
245.15585	0.8
247.09729	5.4
251.60480	0.3
251.63309	0.4
259.16907	1.0
261.11597	0.3
261.14948	1.0
261.97855	0.3
271.13242	0.7
275.12851	3.8
276.13519	1.0
277.14413	0.8
289.14456	27.6
290.14847	3.0
291.16089	0.4
302.26755	0.3
303.16019	12.0
303.19492	0.7
303.23218	0.7
304.16345	1.3
315.23181	0.4
319.15457	3.7
320.16055	0.6
321.17029	2.0
322.17569	0.4
327.16046	0.6
331.19193	0.6
333.17105	1.4
345.17108	0.4
345.20816	0.5
369.20551	0.8
376.23004	0.4
378.20355	0.9
385.20316	1.1
387.21756	8.7
388.22168	1.1
389.23538	4.2
390.23712	0.6
391.21182	4.0
392.21280	0.5
403.21185	26.9
404.21530	3.5
431.24161	1.6
445.25934	0.8
446.26834	2.2
447.27365	0.5
515.33740	100.0
516.34082	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	515.301
Annotation	Probucol
Peak:m/z	Relative Intensity
54.66313	0.3
57.03444	0.6
59.01370	0.4
61.81809	0.3
61.98835	0.3
64.30268	0.3
70.06818	1.7
74.06914	0.3
75.28228	0.3
87.04530	3.1
105.43717	0.2
109.02975	0.6
109.06579	0.6
109.39497	0.3
124.01656	0.5
125.02445	0.6
137.02475	1.1
139.04005	0.4
144.02608	0.3
151.00400	0.4
151.04082	0.6
154.02811	0.5
165.01978	0.5
165.05595	0.6
166.06448	0.3
167.03552	1.5
167.07162	0.4
177.05603	0.7
177.09230	0.6
179.03517	2.0
179.07204	0.5
180.04097	0.3
191.07159	0.8
192.07933	0.8
193.05017	0.3
193.08679	1.9
198.05345	0.4
203.07230	0.5
203.10878	0.3
205.05031	0.5
205.08768	1.3
206.05949	0.3
207.06758	0.5
207.10104	0.8
217.08640	0.6
220.07451	0.8
221.08170	2.2
222.08998	4.1
233.08220	0.5
235.09775	4.4
261.11218	0.3
263.09247	3.2
263.12744	0.8
264.10007	0.3
267.73807	0.3
279.12366	0.4
289.14536	0.7
291.12518	0.3
291.16028	0.3
293.14029	0.6
303.12607	0.3
305.13998	6.7
305.17575	0.7
306.14261	0.6
307.12091	0.6
308.12695	8.6
309.12991	0.9
315.12424	0.7
315.15857	0.3
317.13953	1.3
321.13458	1.0
331.19202	3.9
332.19580	0.5
333.13480	10.5
333.17163	1.5
334.13745	1.1
334.17410	0.4
337.72028	0.3
343.15524	1.5
347.18677	8.0
348.19006	1.0
349.96045	0.3
357.17102	2.0
358.17773	0.9
359.18613	0.8
361.16541	2.7
362.16980	0.5
375.18170	8.3
376.18909	78.6
377.19269	11.0
378.16888	0.4
391.17801	0.6
403.17444	0.5
445.25827	1.2
446.23016	4.8
447.23419	0.7
515.30127	100.0
516.30475	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
64.82518	2.2
68.99806	11.7
71.72651	3.1
71.73015	2.4
83.05051	2.4
85.06593	2.6
87.04559	2.9
100.44226	1.9
109.06652	2.4
111.04534	100.0
112.04865	4.9
113.06098	22.2
114.06421	2.0
116.61765	2.3
122.25277	2.2
123.08157	4.4
137.68900	2.2
144.02011	2.2
150.03206	2.9
165.05559	3.5
167.07117	2.5
178.43108	2.3
191.07300	2.3
192.08008	2.7
193.08752	2.3
204.07961	5.7
205.04988	5.4
219.06645	15.6
220.07384	10.0
223.13376	5.0
231.06673	2.5
233.08189	18.4
235.09839	3.3
245.11671	3.1
252.06419	4.6
273.11331	20.5
274.11777	5.6
275.12964	5.8
287.12808	3.5
303.12509	2.2
305.17636	4.6
315.19516	2.9
316.13181	4.9
317.10483	2.7
317.13937	10.2
319.15668	4.5
331.15622	3.9
343.19067	4.0
344.87064	2.1
347.18384	2.3
355.11108	2.4
359.14819	3.0
360.15979	2.6
361.16827	2.9
362.17334	8.3
377.16138	2.9
385.20102	15.6
387.17383	3.1
387.21887	4.2
429.22812	65.9
430.23535	23.7
431.24078	3.8
441.26523	39.0
442.26694	6.1
483.27383	16.5
497.29034	4.1
506.75983	2.3
515.30035	63.5
516.30322	13.0
540.44775	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
61.48217	1.1
61.98812	1.2
68.99460	1.2
68.99819	17.5
69.80115	6.6
71.04996	1.1
71.26524	0.9
75.15024	1.0
79.05513	3.8
83.05018	5.9
85.06567	4.6
87.04515	7.7
95.05038	1.1
97.06593	1.5
105.07092	2.4
107.05024	3.0
109.03030	1.4
109.06619	7.1
111.04537	100.0
112.04827	3.2
113.06104	64.1
114.06401	2.9
123.08112	2.4
135.08069	1.0
137.02441	1.7
151.07620	1.5
153.09186	1.2
163.04013	2.3
163.11363	1.2
165.05452	1.4
165.12787	1.5
175.11310	7.3
177.09216	1.7
177.12901	6.3
179.07069	2.4
192.07794	1.4
193.08707	26.2
194.09044	1.5
205.05078	2.0
205.08745	2.4
207.06543	1.7
208.07376	3.3
209.11748	4.6
219.06526	3.2
219.10201	3.8
220.07291	2.4
221.08083	2.7
221.11667	1.4
223.99345	1.0
231.06705	5.3
231.13855	2.6
233.08173	14.2
234.08569	1.8
236.10548	5.9
240.09874	4.4
245.11729	1.5
245.15382	2.1
246.12520	2.2
247.13387	2.3
249.11176	1.4
257.15274	1.2
259.09702	1.4
261.11218	2.4
273.11206	3.5
274.11984	1.5
275.09900	1.5
275.12897	26.0
275.16064	1.6
276.13419	7.1
277.14020	1.7
287.12784	3.5
287.16019	1.1
288.13037	1.2
289.11618	1.0
289.14374	6.4
289.17780	2.1
297.96667	1.0
301.14243	1.3
301.17480	1.3
303.15897	1.2
305.17584	44.7
305.35489	1.0
306.14478	2.0
306.17883	4.4
315.19522	2.0
316.20416	1.6
317.14108	1.7
317.17502	6.0
318.17719	1.3
321.16919	3.4
329.17578	1.1
333.16849	2.8
337.16556	29.6
338.16739	4.1
341.63730	1.1
343.19147	5.2
344.19974	2.6
345.20557	8.7
347.18668	28.5
348.19022	2.9
357.20483	4.0
375.18167	1.7
376.19073	9.0
385.23969	4.9
401.23169	2.1
429.22812	67.3
430.23035	10.8
446.23022	2.1
475.27087	1.1
482.55347	1.2
483.26974	3.2
497.28690	2.3
515.30005	95.5
516.30353	22.0
530.29132	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	515.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18930	1.1
57.03450	6.0
58.95488	1.1
61.98814	2.1
63.47318	1.0
65.36555	1.0
68.99812	12.6
71.05016	1.2
71.06172	1.7
71.06511	2.0
79.05524	1.8
83.05032	18.4
85.06600	2.9
85.77090	1.2
87.04528	12.4
99.04514	2.3
101.06081	2.2
104.43871	1.1
107.05007	1.9
109.06603	5.1
111.04536	100.0
112.04871	3.4
113.05358	1.2
113.06104	24.6
115.04039	1.9
121.06618	1.2
123.08138	4.6
135.04535	1.5
139.04041	1.5
150.03246	1.5
151.04005	1.3
163.11264	1.3
165.05554	1.4
165.09167	1.9
165.12831	2.4
175.11278	3.3
177.01859	1.2
177.12770	2.1
191.07224	1.5
191.10786	1.8
192.07872	1.9
193.08713	32.6
194.09044	2.9
204.04012	1.6
204.07866	3.7
205.04987	3.0
205.08621	1.6
207.06590	1.5
207.10182	1.7
208.07359	1.9
209.11775	4.6
219.06671	10.5
219.10178	3.3
220.07364	5.5
221.08170	4.9
223.13376	1.7
231.06622	3.6
233.08163	12.2
233.11708	2.3
236.10493	7.2
237.73915	1.3
240.10020	6.6
246.12393	1.7
247.09779	1.5
252.06322	3.4
253.10849	5.8
253.19217	1.2
257.59961	1.1
259.09497	1.4
267.12485	1.3
273.11313	13.5
273.14420	1.5
273.18332	1.1
274.11581	3.2
275.12823	7.0
275.16037	2.0
276.13251	1.4
287.12820	3.8
289.11072	1.2
289.14374	4.2
289.18057	1.6
303.12225	1.5
305.17578	46.7
306.18152	5.9
315.16113	1.7
315.19598	2.0
316.12997	3.1
317.10468	1.7
317.13815	8.2
317.17496	9.0
319.15454	1.8
329.13916	3.0
329.17636	2.4
331.15402	1.9
331.19067	2.7
337.16638	17.2
337.20419	1.1
338.16614	1.4
343.19080	2.6
343.22650	2.0
343.26324	13.0
344.19751	1.2
344.26660	1.6
347.18594	23.6
348.19016	2.5
357.16861	1.8
359.14655	1.4
360.15457	2.0
361.16586	1.4
362.17282	3.9
371.18710	2.6
372.19318	1.7
373.20102	1.6
374.20972	1.3
376.18903	5.6
377.15140	1.3
378.33630	1.1
385.19919	4.5
385.23947	3.9
387.21652	4.8
397.27307	1.3
425.23282	1.8
427.24820	3.0
429.22784	57.0
430.23270	17.2
441.26443	26.0
442.26813	4.8
446.22925	2.2
455.27560	2.3
471.81076	1.1
481.28000	1.3
483.27527	5.2
497.28989	4.0
498.29147	1.7
515.30011	84.5
516.30255	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	515.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48146	0.4
57.03439	1.7
57.03701	0.4
59.01387	4.0
61.98834	6.4
68.99825	0.5
69.03466	1.0
71.01391	1.0
71.72466	0.6
81.03471	0.8
83.01416	3.3
85.02962	1.4
89.02455	0.8
93.03487	1.7
95.05054	1.0
96.95995	0.5
97.02970	5.9
99.04546	0.8
101.02458	0.9
102.05621	5.0
108.02182	1.3
109.02218	0.9
109.02970	16.2
110.03311	0.6
111.04570	0.5
113.02444	0.4
119.05066	0.8
121.02979	3.5
121.06619	1.8
122.03736	1.8
123.00864	1.1
123.04545	12.6
123.08160	1.0
124.01682	0.9
125.02474	3.1
127.05200	0.6
128.03543	5.1
133.02989	0.7
135.04578	3.4
137.02423	2.2
138.03230	0.4
139.04051	3.7
139.11287	0.8
145.03018	1.1
145.06218	6.9
146.03777	1.2
146.04645	14.4
147.08154	0.7
149.02467	6.3
150.03271	1.2
151.04030	6.3
155.45447	0.4
159.04518	2.5
160.09042	0.4
161.02487	3.1
161.04720	0.6
161.06099	5.0
161.09778	1.3
162.03239	2.0
163.04056	2.1
163.07655	1.4
163.11229	0.6
164.01231	0.6
165.01959	0.9
165.05664	0.5
165.09221	11.4
166.09529	0.8
173.06073	0.5
175.03984	1.8
175.07681	1.0
175.11284	0.9
176.01190	0.8
177.02065	0.6
177.05591	1.7
179.03543	1.3
185.06084	0.5
187.04076	2.2
188.04764	1.9
189.02061	0.6
189.05591	1.3
189.09325	0.5
190.02757	0.7
191.03818	0.7
191.05614	4.2
191.07182	2.4
191.10757	0.5
199.04030	1.3
201.05544	0.8
201.09134	0.4
202.06299	0.6
203.03456	1.2
203.07166	5.5
204.04199	0.5
204.07690	0.5
205.05087	9.4
205.08676	5.2
205.46892	0.6
206.05437	0.9
207.10297	3.6
209.08246	3.6
213.05487	1.0
215.10788	0.5
217.08714	8.3
218.09241	0.7
219.06686	1.5
219.10272	1.9
220.06964	0.7
221.07181	0.9
225.12485	0.6
227.07129	0.6
229.04987	0.7
230.05864	0.9
231.02977	1.1
243.02965	4.4
244.03421	0.7
244.07430	1.1
245.08224	4.1
246.08932	1.2
247.06145	5.5
247.09723	1.1
248.06461	0.8
253.08855	0.4
259.09738	1.6
261.04053	4.9
263.04599	0.5
282.12231	0.4
283.13397	1.6
289.07132	4.1
301.14511	1.4
307.13550	0.7
325.14410	5.0
326.14822	0.8
353.08789	1.2
369.13452	100.0
370.13791	13.5
371.13501	2.3
372.14175	0.5
413.14438	1.9
417.08197	1.0
435.09406	0.7
477.10562	3.1
515.17548	4.8
515.23810	0.5
516.17950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48146	0.4
57.03439	1.7
57.03701	0.4
59.01387	4.0
61.98834	6.4
68.99825	0.5
69.03466	1.0
71.01391	1.0
71.72466	0.6
81.03471	0.8
83.01416	3.3
85.02962	1.4
89.02455	0.8
93.03487	1.7
95.05054	1.0
96.95995	0.5
97.02970	5.9
99.04546	0.8
101.02458	0.9
102.05621	5.0
108.02182	1.3
109.02218	0.9
109.02970	16.2
110.03311	0.6
111.04570	0.5
113.02444	0.4
119.05066	0.8
121.02979	3.5
121.06619	1.8
122.03736	1.8
123.00864	1.1
123.04545	12.6
123.08160	1.0
124.01682	0.9
125.02474	3.1
127.05200	0.6
128.03543	5.1
133.02989	0.7
135.04578	3.4
137.02423	2.2
138.03230	0.4
139.04051	3.7
139.11287	0.8
145.03018	1.1
145.06218	6.9
146.03777	1.2
146.04645	14.4
147.08154	0.7
149.02467	6.3
150.03271	1.2
151.04030	6.3
155.45447	0.4
159.04518	2.5
160.09042	0.4
161.02487	3.1
161.04720	0.6
161.06099	5.0
161.09778	1.3
162.03239	2.0
163.04056	2.1
163.07655	1.4
163.11229	0.6
164.01231	0.6
165.01959	0.9
165.05664	0.5
165.09221	11.4
166.09529	0.8
173.06073	0.5
175.03984	1.8
175.07681	1.0
175.11284	0.9
176.01190	0.8
177.02065	0.6
177.05591	1.7
179.03543	1.3
185.06084	0.5
187.04076	2.2
188.04764	1.9
189.02061	0.6
189.05591	1.3
189.09325	0.5
190.02757	0.7
191.03818	0.7
191.05614	4.2
191.07182	2.4
191.10757	0.5
199.04030	1.3
201.05544	0.8
201.09134	0.4
202.06299	0.6
203.03456	1.2
203.07166	5.5
204.04199	0.5
204.07690	0.5
205.05087	9.4
205.08676	5.2
205.46892	0.6
206.05437	0.9
207.10297	3.6
209.08246	3.6
213.05487	1.0
215.10788	0.5
217.08714	8.3
218.09241	0.7
219.06686	1.5
219.10272	1.9
220.06964	0.7
221.07181	0.9
225.12485	0.6
227.07129	0.6
229.04987	0.7
230.05864	0.9
231.02977	1.1
243.02965	4.4
244.03421	0.7
244.07430	1.1
245.08224	4.1
246.08932	1.2
247.06145	5.5
247.09723	1.1
248.06461	0.8
253.08855	0.4
259.09738	1.6
261.04053	4.9
263.04599	0.5
282.12231	0.4
283.13397	1.6
289.07132	4.1
301.14511	1.4
307.13550	0.7
325.14410	5.0
326.14822	0.8
353.08789	1.2
369.13452	100.0
370.13791	13.5
371.13501	2.3
372.14175	0.5
413.14438	1.9
417.08197	1.0
435.09406	0.7
477.10562	3.1
515.17548	4.8
515.23810	0.5
516.17950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03446	1.3
58.00599	0.8
59.01384	18.3
59.02548	0.4
65.03948	0.5
69.03468	1.0
69.95265	2.1
71.01389	16.6
71.05025	0.7
72.99309	1.1
73.02956	22.5
81.03472	1.9
83.01410	0.6
83.05042	7.7
85.02978	5.5
87.00895	0.6
89.01942	0.4
89.02457	19.8
93.03474	52.1
94.03835	1.9
95.01431	1.0
96.77255	0.4
99.00900	7.0
99.04527	6.6
101.02459	7.9
109.02974	1.2
111.00906	0.4
111.04539	22.5
112.04877	1.0
113.02460	7.0
119.03512	5.8
129.01953	3.2
129.05634	0.7
131.03554	1.1
131.08278	0.4
137.02478	16.6
138.02823	1.0
143.03516	4.9
143.67619	0.4
147.78189	0.4
149.04565	0.8
155.03532	10.6
156.03842	0.6
161.04507	2.1
173.04576	100.0
174.04921	6.2
179.05627	10.2
180.06052	0.5
181.53734	0.4
341.10916	73.6
342.11276	6.4
515.16272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00597	0.6
55.01880	1.3
55.08773	0.7
57.03443	1.4
58.00605	1.2
59.01385	20.6
65.03977	1.0
70.62444	2.1
71.01394	18.6
71.05023	0.7
73.02956	19.7
73.87955	0.6
81.03474	2.6
83.05025	7.5
85.02969	6.4
87.00881	1.5
89.02454	20.8
89.02996	1.2
93.03474	50.4
94.03833	0.8
95.01383	0.9
99.00896	6.6
99.04545	5.4
101.02460	10.1
107.90816	0.7
109.02962	1.6
111.04539	21.5
112.98838	1.3
113.02471	8.3
119.03528	9.2
129.01968	2.8
135.04561	2.5
137.02469	15.3
138.02780	0.8
143.03543	6.3
155.03528	11.0
161.02498	2.6
161.04590	4.4
173.04588	100.0
174.04938	5.4
179.03552	1.8
179.05649	12.9
191.05679	8.5
211.76756	1.0
232.65140	0.7
245.36977	0.7
276.57645	0.7
323.07617	1.1
341.10928	81.0
342.11392	6.8
353.08768	1.0
515.14325	3.7
530.92987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38219	0.2
57.03450	3.4
59.01382	2.1
61.98839	3.4
63.82091	0.2
71.01376	1.2
71.05024	0.4
71.72243	0.3
73.02963	0.4
79.01896	0.8
83.01368	0.2
85.06628	0.5
87.04515	0.4
89.02457	0.3
95.05031	2.7
95.22149	0.2
97.02956	1.3
99.04537	0.7
101.02466	0.9
107.05016	0.2
109.06596	1.0
111.04535	2.6
116.92826	0.2
121.02990	0.5
121.06586	0.3
123.04552	0.3
123.08198	1.5
125.02441	0.6
135.04561	0.3
135.94701	0.2
139.04028	6.1
141.09244	0.3
145.02966	0.2
145.34845	0.2
147.08179	0.7
150.06918	0.5
163.04097	1.3
165.01921	0.9
165.09225	25.2
166.02719	0.4
166.09590	1.7
167.07143	0.4
176.57619	0.2
179.07150	0.5
179.10835	0.3
189.01952	0.3
189.09175	0.3
191.05658	0.4
191.07124	1.6
192.22182	0.2
193.08707	0.6
196.08449	0.2
205.08760	1.1
207.06577	0.4
208.07445	0.5
209.08195	100.0
210.06522	0.4
210.08536	7.1
215.07074	1.0
222.08742	0.2
223.09744	1.4
233.08188	18.0
234.08531	1.5
239.56783	0.2
251.09239	6.7
252.09692	0.6
263.09207	1.6
275.09232	0.6
329.23126	0.2
353.23407	0.2
371.13498	21.0
372.13821	2.3
413.14554	14.1
414.14911	1.5
453.17633	3.8
453.23880	0.2
454.17938	0.6
455.15604	0.3
515.17670	14.6
515.28815	1.0
516.18219	2.7
516.26233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
67.01888	0.6
71.01398	0.9
71.28962	0.6
71.29310	0.7
73.02954	0.4
77.21271	0.4
83.05019	0.7
83.92717	0.4
85.02958	8.9
85.24010	0.3
87.00899	1.6
93.03473	5.7
96.96014	0.5
99.04514	0.4
109.02995	0.7
111.04553	0.8
117.03512	1.0
127.04042	2.2
132.02165	0.9
133.02971	5.8
135.04550	5.6
149.90080	0.4
160.01642	2.1
161.02473	46.4
162.02843	3.3
171.03079	0.6
173.04538	2.7
179.03525	4.5
191.05637	100.0
192.06010	3.9
323.07736	40.4
324.08142	4.0
341.08972	2.6
353.08670	2.8
515.14044	31.0
516.14417	5.8
541.85913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.2
58.71925	0.4
59.01376	2.6
68.01053	0.4
71.01367	0.9
71.70479	0.8
73.02963	1.0
83.05035	0.4
85.02966	4.7
87.00888	1.1
89.02470	0.5
93.03473	3.3
96.78340	0.4
99.04529	9.6
101.02430	3.2
109.02951	0.4
111.04539	1.3
127.04006	1.1
133.45467	0.4
135.04539	1.2
137.02522	0.5
155.03587	0.4
161.02428	1.7
161.04575	22.5
162.04930	1.1
173.04552	3.4
179.03557	1.0
189.29547	0.4
191.05624	100.0
192.05956	4.3
202.09279	0.5
230.94518	0.4
236.51541	0.4
256.41916	0.4
276.87149	0.4
341.10873	2.3
353.08801	14.0
354.09180	1.8
367.70935	0.4
515.13861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
57.37257	0.2
59.01388	1.4
60.99295	0.7
61.79264	0.2
61.98822	0.6
65.03958	0.2
67.01902	2.0
69.03473	0.4
71.01382	1.6
71.71623	0.3
73.02947	0.3
75.00883	0.2
81.03470	0.4
83.05038	0.5
85.02959	5.7
87.00885	3.6
89.02447	0.3
93.03470	16.5
94.03810	0.6
97.01045	0.2
99.00851	0.3
99.04520	0.5
101.02465	0.5
108.21893	0.2
109.02964	1.2
111.04540	2.5
113.02478	0.6
115.03995	0.3
116.92898	0.4
119.04964	0.3
125.02472	0.2
127.04028	1.9
129.01952	0.7
132.02180	0.2
133.02979	1.9
135.04546	15.8
136.04903	0.8
137.02437	0.4
145.02994	0.2
155.03497	0.7
160.01651	0.4
161.02463	11.2
162.02803	0.8
163.04034	0.2
167.03453	0.2
171.03033	0.4
173.04575	4.8
174.04961	0.2
177.01794	0.2
179.03514	14.3
180.03864	0.9
191.05627	100.0
192.05983	4.4
222.37212	0.2
233.06522	0.3
240.05560	0.2
244.03656	0.2
281.04663	0.4
323.07809	3.9
323.13452	1.0
324.08115	0.4
339.05084	0.4
341.06448	0.7
353.08755	9.9
354.09061	1.1
376.11639	0.3
395.09845	2.2
396.10178	0.3
515.14044	53.8
516.14349	8.9
529.25281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38158	0.3
57.03437	0.3
59.01377	1.0
60.99300	0.8
61.98832	0.5
67.01902	2.9
69.03451	0.3
71.01394	1.2
71.20037	0.7
74.28097	0.2
81.03463	0.7
83.05030	0.7
85.02957	5.4
87.00884	4.0
91.05533	0.3
93.03476	15.9
94.03809	0.6
99.04538	0.4
101.02483	0.4
107.10943	0.2
109.02972	1.0
111.04536	2.3
113.02422	0.5
116.92867	0.3
127.04073	1.6
133.02972	1.5
135.04544	15.9
136.04860	0.8
155.03522	0.7
160.01736	0.4
161.02466	10.5
162.02884	0.5
171.03035	0.6
173.04587	5.2
179.03523	14.4
180.03880	0.9
191.05629	100.0
192.05974	5.1
212.54340	0.3
233.06732	0.3
256.59842	0.2
257.60263	0.3
279.84903	0.2
323.07684	2.9
323.13400	0.4
324.07852	0.4
339.04977	0.3
341.05991	0.4
353.08792	10.2
354.09222	0.6
389.22263	0.3
395.10007	2.5
473.35217	0.3
482.18393	0.3
515.14050	54.6
516.14423	9.1
539.74939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01370	1.5
61.98825	0.4
67.01888	0.6
67.66923	0.2
69.62411	2.0
71.01375	1.2
73.02954	0.3
78.95905	0.5
81.03464	0.5
83.05028	0.4
84.08193	0.2
85.02431	0.5
85.02959	9.6
87.00883	2.3
93.03471	4.6
96.96035	0.4
98.19876	0.5
99.04527	0.4
109.02977	1.6
111.04498	1.5
114.39659	0.2
117.03459	1.6
117.10596	0.2
123.04556	0.5
125.02456	0.6
127.04023	2.6
132.01350	0.2
132.02197	1.6
133.02982	7.6
134.03336	0.4
135.04536	3.6
137.02472	0.6
145.02924	0.3
147.04541	0.3
151.04044	0.3
155.03481	0.4
160.01698	2.9
161.02464	51.5
162.02809	3.5
162.82726	0.2
165.05603	0.7
171.03027	0.7
173.04564	1.7
173.66650	0.2
175.03975	0.4
177.01959	1.0
177.09201	0.3
179.03502	3.6
180.03842	0.3
191.05626	100.0
192.05980	4.2
203.10771	0.6
309.17288	0.4
323.07733	37.1
324.08044	3.6
340.05756	0.3
341.09268	1.4
353.08795	3.9
354.09094	0.4
379.57794	0.3
395.09766	0.4
515.14069	41.1
516.14417	7.0
516.21014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
57.03458	0.3
59.01376	1.9
61.98834	5.6
64.67012	0.3
69.03468	0.3
69.84599	1.6
69.85017	0.6
71.01389	0.8
73.02956	0.5
80.91691	0.4
83.05029	0.6
85.02960	6.8
87.00873	1.5
88.98821	0.7
91.05545	0.3
93.03469	3.8
99.92625	0.3
107.05043	1.4
109.02959	0.7
111.04539	2.1
117.03482	0.5
117.50368	0.3
125.02477	0.8
127.04019	2.1
133.02992	1.4
134.03767	3.8
135.04547	52.2
136.04878	2.1
137.02454	0.7
151.00485	0.4
155.03529	1.9
158.93813	0.3
161.02469	5.5
162.02866	0.3
171.02956	0.5
173.04579	3.7
179.03526	50.4
180.03821	2.5
191.05635	100.0
192.06000	4.5
300.02554	0.7
335.07803	0.4
345.12582	0.3
353.08783	70.8
354.09143	6.4
433.07642	0.9
515.24933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09336	0.3
59.01381	1.8
60.46474	0.4
61.21178	0.3
61.98832	8.4
68.32977	0.3
71.01388	1.1
71.71885	0.5
80.91683	0.6
83.05060	0.4
85.02957	5.6
87.00905	1.3
88.98811	1.4
93.03465	3.5
96.96019	0.7
107.05045	1.2
109.03008	0.6
111.04562	2.8
117.03500	0.4
127.04019	1.5
133.02980	1.7
134.03766	4.0
135.04543	54.4
135.86877	0.4
136.04869	2.2
137.02443	0.7
151.03984	0.5
155.03511	1.4
161.02464	5.6
162.02773	0.5
173.04561	4.1
179.03511	48.9
180.03836	2.3
191.05626	100.0
192.05959	4.2
279.05814	0.4
300.02615	0.8
335.07971	0.6
353.08798	71.9
354.09134	8.5
371.10745	0.4
433.07538	1.0
515.11804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93729	0.4
57.03438	1.6
59.01370	1.8
60.99295	1.4
61.98818	1.9
65.75914	0.4
66.61465	0.4
67.01884	3.5
69.03458	1.3
69.65082	2.8
71.01394	2.8
74.99109	0.6
81.03479	0.8
83.05033	1.6
85.02966	6.3
87.00886	8.4
89.02448	0.7
93.03471	29.1
94.03782	1.0
99.00896	0.7
99.04524	1.2
108.02197	1.0
109.02969	29.3
110.03284	0.8
111.04543	4.6
115.04032	0.4
117.03483	0.5
122.03763	0.6
123.04580	0.5
125.02446	1.1
127.04060	2.0
133.02899	0.5
134.03798	0.6
135.04547	8.2
135.78006	0.5
136.01640	1.4
136.99112	0.5
137.02435	0.7
145.01855	0.8
145.02980	14.0
146.03621	0.5
149.02449	1.0
150.03242	3.4
151.04056	2.6
155.03525	1.8
155.60191	0.4
159.04541	1.7
161.02467	6.1
161.06081	7.4
165.05594	4.4
173.04576	9.3
175.04044	0.8
176.04860	0.6
179.03513	8.4
180.04013	0.5
185.02502	0.5
186.03212	1.2
187.04041	12.5
188.04361	1.0
191.05630	70.1
192.05998	3.1
195.06673	2.4
205.05035	1.2
209.06171	0.8
209.08058	0.8
211.04085	0.6
213.01982	4.4
214.02676	2.0
215.03319	0.5
225.05516	0.7
231.02928	0.6
233.06187	0.7
235.04008	0.5
237.05568	1.2
239.03548	2.8
239.21802	0.4
240.04187	1.5
241.05014	1.8
251.07106	0.8
252.50609	0.4
253.05029	3.0
253.08862	0.5
255.06638	4.3
256.07367	1.3
269.07947	0.5
271.09763	3.3
277.05063	0.9
279.02991	4.0
279.06488	1.0
280.03677	1.5
281.04581	12.5
282.05045	1.2
289.07339	0.6
297.07745	7.1
298.07993	0.7
299.05692	0.5
305.04581	1.4
306.04721	0.6
311.73727	0.4
323.05594	12.1
324.05811	1.2
341.06696	9.6
342.06888	0.8
515.11951	100.0
516.12292	17.5
516.20166	0.9
524.79614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93729	0.4
57.03438	1.6
59.01370	1.8
60.99295	1.4
61.98818	1.9
65.75914	0.4
66.61465	0.4
67.01884	3.5
69.03458	1.3
69.65082	2.8
71.01394	2.8
74.99109	0.6
81.03479	0.8
83.05033	1.6
85.02966	6.3
87.00886	8.4
89.02448	0.7
93.03471	29.1
94.03782	1.0
99.00896	0.7
99.04524	1.2
108.02197	1.0
109.02969	29.3
110.03284	0.8
111.04543	4.6
115.04032	0.4
117.03483	0.5
122.03763	0.6
123.04580	0.5
125.02446	1.1
127.04060	2.0
133.02899	0.5
134.03798	0.6
135.04547	8.2
135.78006	0.5
136.01640	1.4
136.99112	0.5
137.02435	0.7
145.01855	0.8
145.02980	14.0
146.03621	0.5
149.02449	1.0
150.03242	3.4
151.04056	2.6
155.03525	1.8
155.60191	0.4
159.04541	1.7
161.02467	6.1
161.06081	7.4
165.05594	4.4
173.04576	9.3
175.04044	0.8
176.04860	0.6
179.03513	8.4
180.04013	0.5
185.02502	0.5
186.03212	1.2
187.04041	12.5
188.04361	1.0
191.05630	70.1
192.05998	3.1
195.06673	2.4
205.05035	1.2
209.06171	0.8
209.08058	0.8
211.04085	0.6
213.01982	4.4
214.02676	2.0
215.03319	0.5
225.05516	0.7
231.02928	0.6
233.06187	0.7
235.04008	0.5
237.05568	1.2
239.03548	2.8
239.21802	0.4
240.04187	1.5
241.05014	1.8
251.07106	0.8
252.50609	0.4
253.05029	3.0
253.08862	0.5
255.06638	4.3
256.07367	1.3
269.07947	0.5
271.09763	3.3
277.05063	0.9
279.02991	4.0
279.06488	1.0
280.03677	1.5
281.04581	12.5
282.05045	1.2
289.07339	0.6
297.07745	7.1
298.07993	0.7
299.05692	0.5
305.04581	1.4
306.04721	0.6
311.73727	0.4
323.05594	12.1
324.05811	1.2
341.06696	9.6
342.06888	0.8
515.11951	100.0
516.12292	17.5
516.20166	0.9
524.79614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
59.06458	0.4
61.35637	0.4
61.98513	0.8
61.98831	14.2
70.49986	1.8
71.01404	0.8
80.96511	0.7
85.02930	0.5
91.01919	0.7
93.03469	0.6
94.73433	0.4
95.05029	0.7
98.30083	0.5
109.02966	18.2
110.03311	0.8
115.56412	0.4
117.03460	0.7
119.05048	0.8
121.02968	1.6
122.03724	0.5
123.04539	11.9
124.04897	0.6
125.02412	0.6
133.02969	3.4
135.04582	0.8
137.02469	0.9
145.02969	1.6
147.04553	3.0
149.02464	0.7
151.04024	5.0
159.04556	1.4
161.02473	7.3
161.70021	0.4
162.03204	0.5
162.62650	0.4
163.03960	0.9
176.01135	1.0
177.01949	24.9
178.02243	0.7
178.35223	0.4
187.04077	1.4
189.01949	53.0
190.02670	12.7
191.03505	12.3
191.05444	0.9
192.03963	0.6
201.02020	0.6
203.03523	5.4
209.08337	0.5
216.00627	8.2
217.01424	44.8
218.01968	4.6
219.02986	17.5
220.03297	1.6
227.07268	0.5
231.02977	12.4
232.03494	1.8
233.04538	1.2
281.04526	0.6
289.07303	2.3
297.07608	0.9
299.05524	0.6
323.05585	2.5
341.06674	100.0
342.06982	11.5
451.10336	94.3
452.10703	14.2
514.20477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
60.25892	0.3
61.05444	0.3
61.98828	0.8
66.88787	0.3
67.01893	0.4
68.69653	0.3
69.49948	3.2
71.01393	0.6
85.02977	0.8
91.28719	0.3
92.45251	0.3
93.03451	3.7
102.03504	0.3
109.02957	0.5
111.04533	0.4
111.22246	0.3
118.88111	0.3
119.15425	0.3
133.02969	0.9
135.04546	5.8
137.02449	0.8
144.04572	100.0
145.04922	6.2
155.03496	0.9
159.03253	0.3
161.02477	4.3
173.04564	11.5
179.03519	7.7
188.03551	47.8
189.03883	3.3
189.82037	0.3
191.05632	11.7
225.99635	0.3
323.07672	3.6
341.08826	2.5
353.08740	2.2
515.14075	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	514.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75902	0.8
52.86300	0.8
57.03450	0.9
59.01376	2.4
61.98831	100.0
70.35262	1.3
70.35658	1.6
71.01382	1.1
71.27776	0.7
80.94398	0.8
85.02980	1.5
89.03907	0.9
93.03476	0.9
95.05072	0.9
101.02496	1.2
101.66109	0.7
109.02970	22.5
119.05044	1.5
121.02961	0.7
123.04549	12.9
124.04849	1.0
125.02494	3.4
133.03009	2.1
137.02477	1.3
145.03036	1.5
147.04564	3.6
149.02496	1.5
150.03276	1.0
151.04036	8.0
159.04614	1.4
161.02449	6.1
162.03156	0.9
175.04059	0.9
177.01955	26.4
177.03513	1.3
178.02296	1.7
187.04082	1.5
189.01959	46.3
190.02705	11.6
191.03564	10.6
191.05675	3.6
203.03564	5.6
205.05127	1.2
216.00571	6.8
217.01433	35.6
218.01932	4.5
219.02979	14.8
228.04611	0.9
231.03008	10.5
231.05115	1.1
232.03542	1.7
233.04517	1.5
245.08253	1.1
251.07237	1.1
279.06638	1.0
289.07208	4.0
321.19250	1.4
323.05676	4.3
340.05774	0.8
341.06677	80.5
342.07016	9.4
451.10327	66.9
452.10623	12.2
453.23737	1.5
453.33755	2.1
454.23920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68549	0.5
55.10439	0.6
59.01376	1.6
61.14586	0.5
61.98833	70.0
68.14691	0.6
71.01340	0.7
71.48864	0.8
91.84440	0.6
97.02964	0.9
97.58642	0.5
101.02476	0.7
109.02974	16.6
121.02973	2.8
122.03252	0.5
123.04543	7.0
124.04837	0.7
125.02423	1.3
126.01310	0.6
133.02956	2.3
135.04488	0.9
137.02440	1.3
145.03040	0.6
147.04483	1.7
149.02470	1.2
150.03250	0.9
151.04044	4.6
159.04597	0.9
161.02452	5.7
162.03159	1.8
163.03952	1.0
176.01213	0.8
177.01949	21.0
187.04022	3.1
188.04800	2.0
189.01952	20.5
189.05547	0.7
190.02745	7.1
191.03494	3.3
191.05586	2.3
203.03561	2.4
205.05124	0.7
216.00620	4.2
216.99364	0.9
217.01410	12.7
218.02065	2.8
219.02962	6.5
222.01738	0.7
227.07176	1.4
229.01503	0.7
229.08667	2.0
231.03020	4.0
232.03618	0.8
255.06671	0.6
269.08148	0.8
281.04535	8.8
282.05124	1.4
289.07211	1.9
297.07687	7.6
298.08154	0.8
299.05576	4.8
323.05505	0.9
341.06674	100.0
342.06949	10.4
451.10336	74.6
452.10641	12.8
515.06030	1.1
515.18939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23178	0.4
78.23038	0.4
90.47319	0.4
93.13008	0.5
99.08199	0.8
107.05067	0.5
108.13777	0.4
111.04572	1.7
123.08196	1.0
125.06108	5.1
125.09756	0.9
130.16588	0.4
137.02472	0.5
151.04051	1.7
161.02483	1.1
162.03291	1.5
163.04059	2.3
165.09262	0.9
166.02753	0.8
180.04332	1.0
183.06705	1.3
189.02003	1.1
190.02760	1.5
191.03375	0.5
193.08780	1.1
203.07025	0.9
205.05209	0.6
205.08696	1.0
207.06569	0.9
208.07428	3.0
215.07143	0.8
217.08583	0.5
219.10359	1.6
221.08195	14.5
221.10277	0.9
222.08783	5.3
223.08815	0.8
229.08798	1.3
229.72180	0.6
231.06601	1.3
233.08188	14.8
234.08466	1.9
235.09682	2.2
236.10577	0.6
245.08231	2.2
246.08922	1.3
247.09738	30.5
248.10121	3.1
249.11415	0.5
259.09808	1.2
261.11414	1.4
273.11218	0.5
275.12827	3.4
276.13651	5.0
277.14020	0.6
287.12909	1.2
289.14423	2.7
291.12454	1.1
293.23529	0.4
301.14523	2.5
303.16049	3.8
305.13947	10.6
306.14471	1.3
310.59146	0.5
315.15979	0.6
319.15637	1.0
327.12625	0.7
329.13922	0.6
329.17648	0.9
345.17133	0.6
357.17090	1.1
359.18533	0.7
360.19391	0.7
367.19272	1.6
369.20770	0.6
371.19153	0.5
373.19858	1.0
374.20749	0.7
385.20197	70.8
386.20538	10.9
386.25311	0.8
387.21835	0.8
401.23291	0.8
411.21851	0.7
427.24918	2.9
429.22083	0.8
437.27200	0.4
444.25333	2.6
468.05203	0.4
495.31204	0.8
512.34479	0.4
513.32153	100.0
514.32556	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95279	0.3
58.51105	0.3
61.98817	0.6
69.49650	2.7
69.50060	0.7
89.93040	0.3
98.19821	0.7
99.08165	0.4
107.05065	0.5
111.04503	0.4
121.06525	0.4
123.04563	1.7
125.06110	6.3
126.06450	0.5
133.06599	1.0
137.09720	0.7
138.03296	0.4
139.11295	0.5
144.92737	0.3
149.02464	0.4
151.04022	6.9
152.04825	0.5
162.03145	0.3
163.04085	0.7
166.02754	0.9
177.01945	1.3
179.03499	1.5
180.04306	5.9
189.09377	0.5
205.05058	0.4
205.08647	1.1
205.12331	0.7
207.06686	0.9
207.10262	2.4
208.07388	1.7
217.08749	3.2
217.65271	0.4
219.06610	1.9
219.10214	0.7
221.08237	3.5
222.08998	2.7
223.09702	0.6
233.08199	7.2
233.11855	0.7
234.08791	0.4
235.09767	67.0
236.10460	20.6
237.10881	1.5
245.08206	1.0
247.09691	3.7
248.10486	0.4
249.11307	2.6
259.09869	0.4
259.16940	0.4
261.11279	1.4
263.09268	0.3
273.11670	0.4
275.12991	1.7
276.13724	2.3
287.12839	1.5
288.13623	0.4
289.14441	3.4
299.12967	0.5
301.14468	1.3
303.15936	0.6
305.14053	2.7
317.17557	0.6
331.15442	1.0
343.19400	0.4
345.20761	0.9
355.19107	0.8
357.21063	0.4
359.18762	1.6
361.19910	0.5
373.20224	34.1
374.20728	8.3
375.21494	1.0
377.19684	0.7
385.20139	1.1
387.17859	0.6
401.19717	1.6
427.25021	0.5
429.22180	0.6
444.25208	1.0
513.32202	100.0
514.32568	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3218
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
56.79101	0.8
59.01375	1.2
61.98831	1.0
67.62299	0.7
70.59743	1.0
70.60095	2.8
111.04536	1.7
112.15466	0.8
125.06104	2.1
137.02422	0.9
161.09702	0.9
163.03998	1.6
166.02690	1.0
176.20517	0.8
187.43030	0.9
191.03516	1.2
205.05092	1.3
205.08714	8.0
207.06618	2.6
208.07350	5.0
219.06682	1.5
221.08217	6.3
222.08922	1.3
231.06644	2.5
233.08217	15.7
235.09796	2.8
237.07716	2.3
245.08199	3.0
247.13223	0.9
261.11362	1.5
263.09271	2.4
273.11456	1.3
275.12872	13.1
276.13583	7.7
287.12903	8.7
289.14398	7.7
290.14926	1.1
291.12112	0.9
301.14468	2.9
305.13943	15.7
305.17212	1.5
306.14563	1.6
319.15787	1.0
359.18640	2.2
371.18564	5.0
372.18866	1.7
373.20123	2.0
383.18677	3.5
385.20416	1.5
389.19427	0.9
397.19980	1.0
401.19772	4.7
411.21707	2.4
413.26752	1.4
427.25067	1.9
429.26331	2.1
483.31216	2.5
495.31223	3.0
513.32227	100.0
514.32568	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	513.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54191	1.0
52.98447	1.1
61.98819	1.5
64.59116	0.9
78.39585	0.9
79.16462	1.1
84.22374	0.9
87.04527	18.3
101.06097	37.2
106.80978	0.9
111.04527	3.7
123.04578	1.7
125.06091	2.1
128.20459	1.1
151.04057	8.6
165.01816	1.1
166.02701	4.5
177.01865	1.7
178.02380	1.1
180.04268	1.5
189.06558	1.1
193.08652	1.5
203.07043	3.2
207.06615	1.5
208.07425	10.3
209.08031	1.6
219.06560	2.6
220.07320	1.4
221.08199	60.9
222.08745	11.6
223.09579	1.8
233.08217	9.7
235.09747	33.8
236.10185	3.0
247.09769	12.7
248.10286	1.1
259.09720	2.2
261.11267	5.6
271.13425	1.7
273.11331	6.7
277.14590	1.2
278.11578	1.6
283.16898	1.7
287.12811	2.9
289.14447	2.4
297.18661	1.6
300.13550	1.2
324.59796	1.0
327.16022	11.1
328.16412	2.2
341.17648	5.1
342.18027	3.1
344.19720	1.1
356.19595	1.2
360.18756	1.1
367.26257	4.2
411.25415	100.0
412.25742	17.4
425.26962	55.9
426.27182	9.8
429.26346	3.0
513.32141	60.3
514.32483	13.4
514.98303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03442	0.2
58.00595	0.2
59.01379	5.6
60.01738	0.1
69.03468	0.1
70.48728	0.2
71.01389	4.6
72.01711	0.1
72.99303	0.2
73.02946	0.9
75.00875	0.1
76.70638	0.0
81.03474	0.1
83.01393	0.5
83.05022	0.2
85.02960	1.1
87.00883	0.6
89.02454	3.4
90.02777	0.1
90.86245	0.1
91.04041	0.2
95.01424	0.4
97.02958	0.2
97.06580	0.1
99.00900	0.3
99.04546	0.1
101.02455	4.6
102.02804	0.1
103.04020	0.2
109.06597	0.1
111.04543	0.1
113.01686	0.1
113.02470	2.2
114.02859	0.1
115.04033	0.2
119.03515	1.0
125.02436	0.2
127.03997	0.1
127.07645	0.2
131.03493	0.1
133.05092	0.3
141.09297	0.1
143.03545	0.4
145.05074	0.1
147.71973	0.1
149.04515	0.1
157.05086	0.2
161.04578	1.8
162.04913	0.1
176.22896	0.1
179.05640	0.5
205.19637	0.1
233.15382	0.1
233.22832	0.4
234.23114	0.1
235.08252	1.2
253.09276	17.3
254.09641	1.0
259.20615	0.3
262.99072	0.1
275.20172	0.3
277.21716	100.0
278.22055	12.2
293.14029	0.2
309.16983	0.1
325.55713	0.1
388.43103	0.1
453.40790	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	513.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74034	0.7
53.02382	0.7
71.20483	0.7
73.59693	0.7
77.68715	0.7
84.47153	0.6
87.04053	3.0
87.04641	29.0
88.05013	1.0
88.13919	0.7
89.17689	0.6
98.19843	1.8
101.06219	6.2
102.85897	0.7
107.40163	0.6
111.04676	0.7
123.04679	1.1
124.48048	0.7
125.06249	2.9
127.83451	0.7
151.04024	5.1
165.05734	0.8
166.02901	2.5
177.02084	0.8
208.07532	1.6
217.08797	2.2
219.06638	1.2
221.08188	11.5
222.08929	9.1
223.09674	0.9
233.08339	2.1
235.09755	51.1
236.10178	6.4
247.09747	10.6
261.11261	8.3
273.11441	1.7
287.12875	5.6
289.14542	1.1
297.18759	1.4
313.14545	1.1
327.16074	1.9
341.17566	8.6
342.18054	1.7
355.19055	0.8
356.19983	2.2
381.27951	3.7
411.25351	16.5
412.25809	2.7
425.26981	100.0
426.27393	17.2
513.32147	42.1
514.32477	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	513.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	19.0
58.10697	1.5
61.65108	1.8
61.65435	1.8
64.00174	1.7
69.98070	7.1
69.98485	3.7
71.05042	4.8
80.10178	1.7
83.90681	1.7
85.02948	12.8
87.04535	7.8
91.66041	2.2
99.04493	2.5
99.08150	2.6
101.06080	2.4
111.08199	3.0
115.04025	16.6
123.08240	1.9
127.07622	2.5
129.09259	3.5
135.08141	2.6
139.04074	9.1
139.07686	2.2
141.09268	3.5
143.03503	14.2
143.44597	1.8
151.11313	3.0
153.09233	3.9
162.37169	1.8
165.12819	16.1
180.07875	2.6
181.12358	12.1
186.05359	3.5
189.87242	2.0
191.10863	3.2
197.15459	14.4
209.11841	42.4
212.22932	1.7
223.13361	15.8
253.10814	100.0
254.11209	8.3
289.21646	10.5
293.13980	18.7
294.14523	2.3
338.79459	1.6
363.21774	5.1
364.19043	2.1
373.23795	2.9
389.19647	3.1
389.27090	3.3
459.23779	32.0
460.24399	5.7
515.95013	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	513.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	11.9
58.03783	0.2
59.01392	1.1
61.98832	0.9
67.01909	0.2
69.43263	1.6
71.01386	0.3
73.02945	0.2
77.03957	0.2
85.02960	0.2
93.03433	0.1
98.19909	0.3
99.04567	0.7
101.02460	2.4
109.02972	0.7
121.02992	0.3
125.02446	0.6
136.01689	0.5
137.02464	7.5
138.02809	0.5
139.83688	0.1
145.03017	0.2
149.02464	13.9
150.02756	0.8
158.87636	0.2
177.05585	0.3
183.96339	0.1
191.05603	0.3
191.07156	1.9
192.07936	100.0
193.08275	7.1
206.09453	0.2
207.10277	91.4
208.10600	6.8
243.06129	0.2
249.11310	0.3
261.29688	0.1
351.14484	1.3
369.15555	19.7
370.15930	2.5
391.56622	0.2
407.91617	0.1
411.16614	5.2
412.16821	0.7
451.19781	0.8
455.89252	0.2
513.19104	0.9
513.26227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99638	0.7
59.01381	20.3
61.98826	1.4
63.96227	1.6
65.00323	2.7
71.01389	8.3
72.99327	3.1
73.24914	0.8
73.98331	2.8
74.99104	40.3
78.95913	1.2
79.95743	1.8
80.96529	1.0
83.01402	2.4
85.02948	3.8
87.00897	2.5
89.02465	8.7
93.03474	2.1
95.01405	1.5
96.96013	4.5
96.96994	1.7
97.02940	0.9
97.19171	0.8
101.02470	7.0
102.98643	0.8
103.72246	0.7
107.01391	4.8
107.80307	0.7
109.02967	6.1
113.02464	4.3
117.97350	1.1
119.03526	3.7
119.05055	2.9
123.04520	3.0
124.01665	1.5
125.02483	7.2
125.06071	1.0
131.03569	0.9
133.03052	0.9
133.06584	1.2
135.04544	1.3
135.98355	2.2
136.99162	50.9
137.02495	1.6
137.99536	0.7
139.03999	1.0
139.90019	0.7
151.00395	40.9
151.04018	3.0
152.00746	1.8
161.02486	1.9
161.04556	0.8
161.06047	0.9
165.01907	1.4
167.03514	2.7
169.01413	1.1
173.04588	1.6
175.04062	0.8
177.01923	7.2
179.03499	1.0
182.05891	0.7
187.07652	0.9
189.01909	0.7
191.05618	5.7
191.07167	0.9
199.03995	1.0
202.96486	3.7
203.07132	1.1
203.97287	4.1
204.98032	0.8
218.96043	2.3
222.08864	0.6
227.06975	0.8
230.96034	27.2
231.96561	1.1
243.03023	1.0
243.96881	2.3
245.08095	1.3
246.08685	0.8
249.07503	1.0
256.97760	2.2
261.04111	1.0
269.04532	2.0
271.06082	6.3
287.05771	0.8
289.07117	4.6
301.03653	0.8
321.00787	2.5
321.04111	1.0
321.19217	0.9
339.05136	1.0
349.00226	2.6
350.00967	8.3
351.01788	38.4
352.02081	3.7
375.20038	1.5
393.02911	2.8
407.17352	1.3
423.03937	3.0
425.18570	2.4
453.17917	0.7
513.07129	100.0
513.19647	51.8
514.07422	14.8
514.19867	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	513.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08709	0.7
55.01855	1.4
57.03421	0.9
58.00581	2.0
59.01380	36.3
61.98820	2.7
62.66802	0.8
69.61535	3.4
69.61966	2.8
71.01385	22.0
72.99303	1.9
73.02945	1.4
79.90721	0.8
80.05061	1.4
83.01377	2.9
85.02960	5.1
87.00889	5.3
89.02454	15.8
91.86496	0.7
93.03458	2.4
94.06643	0.9
95.01388	1.6
99.00911	1.1
101.02455	14.9
108.04559	2.0
109.02977	0.9
111.04498	0.9
113.02474	7.2
116.92852	1.2
119.03503	7.4
120.04578	0.8
121.02998	0.8
121.05341	4.8
122.06145	11.4
123.04517	1.1
125.02431	2.4
136.04039	1.2
136.07654	2.4
138.05647	4.8
140.07167	1.0
140.98250	0.7
143.03526	1.0
148.04059	2.4
149.04759	3.1
150.05664	4.7
151.00397	5.6
151.03987	0.8
158.06100	1.0
159.06857	1.6
160.75143	0.7
161.04599	1.4
162.05554	0.8
165.04318	3.3
166.05122	5.1
167.03387	0.9
172.07724	1.1
173.08473	2.1
174.12927	2.0
177.09126	0.8
179.05612	1.6
184.11241	4.8
188.07166	2.8
189.07899	1.7
191.05579	3.2
202.12390	6.3
203.09407	0.7
203.12674	1.1
204.06705	5.3
204.10211	1.2
213.06679	1.3
216.06624	4.3
216.08965	2.2
217.07423	4.7
218.08075	1.9
227.08208	1.4
227.11885	1.0
228.10263	3.2
229.09770	9.1
230.95972	3.5
231.08952	2.9
231.11342	19.6
231.25018	0.8
232.11783	1.2
238.07408	0.9
239.07045	1.0
241.09885	1.1
243.11348	1.6
246.11349	9.2
247.11267	0.8
251.07083	1.2
253.09850	3.8
255.11285	1.3
256.08310	1.0
265.04892	0.7
267.06598	1.7
270.10004	2.6
271.10861	31.3
272.11206	2.0
288.55658	0.8
289.07147	1.3
295.05933	1.8
311.05542	0.7
321.03915	1.0
328.10352	2.3
339.00961	0.8
339.05103	13.9
340.05417	1.7
346.11368	3.2
351.01721	1.4
390.10226	1.3
397.13818	4.0
408.16446	1.3
411.15338	0.7
426.17484	2.5
433.16016	2.4
451.17197	27.2
452.17236	3.0
469.18100	6.3
470.17648	1.7
495.16223	7.7
496.16254	1.6
513.09808	15.0
513.17139	100.0
514.10455	2.3
514.17468	16.0
514.76294	0.7
533.65631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01389	1.1
59.66041	0.3
61.98837	7.4
63.02402	0.8
65.00313	1.7
68.99819	0.3
69.48003	3.4
71.01418	0.3
71.09076	0.3
83.01398	1.5
85.00109	0.3
88.98814	0.5
91.05560	0.7
93.03485	0.4
96.96037	0.4
107.01393	2.4
107.05055	0.7
109.02985	2.9
117.03466	1.0
121.02966	0.5
123.04526	1.1
125.02461	4.7
131.05072	2.9
133.02986	1.7
135.00912	0.8
135.04550	1.5
137.02452	1.1
147.04558	1.1
149.02412	0.5
149.06081	0.7
150.03210	0.4
151.00394	5.2
151.04050	4.0
153.01930	0.7
155.05046	2.4
157.02960	1.3
160.93077	0.3
161.02451	1.4
161.06087	0.4
163.04030	0.4
165.01920	0.5
165.94711	0.3
171.04523	1.0
173.06100	2.6
174.03242	1.0
175.04018	10.4
176.04350	0.8
177.01953	3.3
178.99818	0.4
179.03513	0.6
187.04036	0.5
189.01903	0.7
189.05540	0.9
191.03514	1.4
191.05591	2.1
192.05931	0.4
193.05040	1.8
197.00851	0.4
199.04022	17.8
200.04356	1.5
201.01964	1.5
202.99872	0.4
203.03642	0.4
205.01445	3.8
205.05081	0.6
206.01770	0.4
207.06686	1.0
215.03494	0.6
217.05081	5.5
218.05322	0.4
219.02939	0.6
219.06606	0.4
223.02480	3.1
224.02922	0.4
231.02928	0.8
233.04584	1.1
243.02982	64.0
244.03328	5.3
245.46420	0.4
257.04459	0.5
259.02542	0.4
261.04028	100.0
262.04358	8.3
285.03812	0.4
289.07251	1.1
321.19266	0.4
341.06680	0.5
417.08371	2.0
418.09085	0.5
435.09302	4.0
436.09583	0.6
450.10559	1.0
451.10214	1.5
477.10385	38.7
478.10785	6.7
495.09396	0.5
513.10266	4.6
514.10712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44051	0.7
55.01845	0.9
57.03438	1.6
58.00589	1.6
59.01382	38.9
60.01717	0.8
61.98845	3.6
69.03486	0.8
70.65836	0.7
70.73063	1.4
70.73432	1.3
71.01390	26.2
72.99318	3.5
73.02943	2.5
73.65193	0.7
80.05059	2.9
83.01402	1.3
85.02965	7.4
87.00883	7.1
88.98785	0.9
89.02457	21.4
91.06570	0.8
92.05080	0.7
94.06633	2.0
95.01410	2.2
96.01737	0.8
97.02941	0.6
99.00874	1.3
101.02452	17.5
106.06615	1.5
108.04556	2.5
109.02954	1.2
113.02458	10.4
114.02843	0.7
116.92862	1.5
118.92707	1.0
119.03523	11.1
120.04585	0.7
121.05356	5.9
122.06143	12.7
123.04539	1.8
123.06474	0.9
124.04021	1.0
125.02447	2.9
125.06094	0.8
136.04045	1.6
136.07693	2.9
138.05650	6.2
140.07242	2.0
143.03485	1.3
147.03255	0.7
148.04059	2.6
149.04799	3.3
150.05647	6.0
151.00435	0.8
151.03963	1.3
158.09848	0.8
159.04555	0.8
159.06932	1.9
161.02460	1.5
161.04643	2.1
164.07094	0.9
165.01982	0.9
165.04323	4.0
166.05122	5.3
172.07706	1.7
173.08456	3.8
174.05696	0.9
174.09200	1.1
174.12909	2.1
179.05637	1.2
184.11331	4.5
185.81601	0.8
186.09261	1.3
188.07175	3.3
189.07945	1.6
191.05632	2.8
200.05986	0.9
200.10919	0.9
202.08698	1.1
202.12393	10.9
203.09589	0.8
203.12651	0.8
204.06673	6.9
204.10368	1.0
213.06688	2.3
216.06662	5.2
216.09009	2.3
217.07411	6.7
218.08270	1.7
227.08258	1.7
227.11919	1.6
228.10542	3.3
229.09810	9.0
230.08160	1.4
230.10344	1.5
231.09053	2.2
231.11369	27.1
231.13728	1.4
231.32790	0.7
232.11687	1.7
238.07442	1.1
241.09790	1.4
242.10667	1.0
243.03139	0.7
243.11301	1.9
246.11389	11.6
247.11641	1.2
253.09842	3.7
254.10304	0.8
255.11340	1.6
267.06635	0.7
270.10107	2.5
271.10861	31.7
272.11188	2.6
289.07260	1.4
295.06119	1.0
312.11038	1.3
328.10327	2.7
339.05157	5.5
346.11386	4.2
379.12695	1.0
390.10300	1.7
397.13800	5.9
408.16757	1.1
411.15475	1.0
426.17496	3.1
433.16351	2.9
451.17267	32.9
452.17657	5.7
469.18311	7.6
470.17438	1.6
495.16245	5.4
496.16263	1.3
513.10706	4.2
513.17236	100.0
514.11389	1.3
514.17731	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	512.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25737	1.4
57.03447	6.2
57.97084	1.5
59.01370	3.0
61.24845	1.3
61.98831	100.0
68.43167	1.4
68.99819	1.4
70.92941	4.9
70.93424	1.2
78.95901	7.7
80.89629	1.4
83.05035	2.9
85.06609	5.6
87.04534	9.1
97.06606	4.3
101.06068	2.3
102.30510	1.5
111.04518	14.7
116.92854	2.4
121.03031	2.1
127.07726	1.8
145.02942	3.2
146.42766	1.4
153.09232	4.6
164.34332	1.3
172.56154	1.6
172.97997	1.7
195.10286	2.3
207.10439	2.0
225.11189	2.5
225.14871	7.6
243.13779	2.2
255.99448	1.7
279.36179	1.4
305.17136	2.6
417.22824	53.0
418.23080	8.9
433.25952	4.0
449.10483	2.5
449.25391	69.4
450.25690	8.8
481.22049	4.6
512.23401	1.8
513.08087	2.6
513.24585	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	512.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
57.56891	0.5
59.01381	0.6
61.98833	100.0
68.50058	0.6
70.01488	0.5
70.15825	2.8
78.95924	1.1
83.01393	0.6
83.05036	1.0
85.06615	1.6
87.04543	1.2
91.69904	0.5
95.05011	0.7
97.06604	2.2
106.93353	0.6
111.04535	6.0
113.06071	0.7
116.92912	0.9
117.92908	0.6
118.61506	0.6
118.63313	0.5
121.02959	1.2
123.08186	0.8
132.79034	0.5
145.03009	2.6
146.03317	1.1
151.04089	0.6
153.09251	2.3
163.29803	0.5
177.01935	0.6
188.04761	0.7
195.10254	0.9
207.10333	0.9
214.93729	0.6
226.06381	1.0
227.06888	1.2
254.05745	0.6
255.06627	2.9
256.06979	2.1
270.08459	0.9
277.50674	0.6
285.11273	1.0
286.11694	1.4
289.21786	1.8
293.17520	0.7
297.07721	0.8
298.08234	2.0
299.08765	1.2
324.13281	1.6
331.22922	0.8
367.15460	2.8
368.15689	2.7
375.21735	0.8
417.22867	21.1
418.23331	3.1
449.25433	33.1
450.25723	5.5
480.21228	0.7
512.23615	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	512.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01375	0.3
61.98832	100.0
65.00330	5.0
70.91453	0.3
83.01399	2.2
85.08743	0.2
98.10710	0.3
98.19849	0.9
107.01402	7.4
109.02978	0.4
123.00855	0.3
123.04549	1.9
124.01702	0.7
125.02464	8.6
126.02673	0.3
133.02989	0.9
135.04597	0.5
137.02434	0.3
149.02504	0.9
150.03267	4.3
151.00391	34.4
151.03999	6.9
152.01183	5.1
152.04425	0.4
153.01915	0.8
154.33972	0.3
166.62865	0.3
169.01503	0.7
175.03983	2.1
176.01237	0.4
177.01976	1.6
178.99884	6.9
179.01471	0.3
179.17006	0.3
180.00368	0.5
189.05737	0.5
199.04066	1.3
209.27556	0.3
217.05115	1.0
219.36491	0.3
225.21786	0.3
241.05090	1.0
257.04492	0.4
259.06241	0.5
285.04047	18.3
286.04364	1.7
297.09964	0.9
302.04462	0.8
303.05121	7.9
303.08401	0.5
304.05582	0.6
323.07730	0.3
340.02994	0.3
364.77191	0.3
366.36734	0.3
403.03137	0.3
446.55530	0.3
449.10895	18.2
450.11044	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	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
61.98832	100.0
64.48517	0.6
65.00326	6.1
65.25328	0.5
70.28354	1.8
73.42500	0.5
83.01405	1.8
106.52278	0.5
107.01405	7.9
116.03608	0.6
123.04549	2.9
125.02483	7.5
126.02856	0.6
133.02986	1.4
135.04579	0.8
149.02504	0.7
150.03264	4.7
151.00395	32.9
151.04015	5.8
151.80247	0.5
152.01181	5.4
175.04047	1.5
177.02068	1.2
178.99870	6.3
180.00487	0.8
191.05621	3.3
199.04057	1.0
217.05142	1.2
241.05104	1.2
259.06299	0.7
269.93750	0.5
285.00900	1.0
285.04053	18.2
286.04620	1.9
303.05054	8.6
303.07819	0.7
304.05334	0.6
449.10886	17.8
450.11407	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3066
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
57.03446	0.4
61.98834	0.5
68.99826	0.7
70.25842	0.4
79.01895	0.9
79.05554	0.4
84.76907	0.3
84.97538	0.3
85.06622	0.6
95.05062	0.4
98.20602	0.6
108.68887	0.3
109.02973	0.5
111.04539	14.1
112.04863	0.4
121.06643	0.4
123.08189	1.5
125.06104	0.5
133.06613	0.7
134.48886	0.3
137.09770	0.3
138.03209	0.4
149.06165	0.4
150.03265	0.4
151.04066	0.9
154.70764	0.3
163.04047	1.5
163.07660	0.5
166.02753	0.8
167.07225	0.4
175.07587	0.6
177.01958	1.8
177.05591	2.3
178.02661	0.3
178.06348	1.2
178.09972	2.6
179.03529	0.6
189.01933	0.4
189.09369	0.4
191.03607	0.7
191.10794	0.4
192.07932	0.9
193.05031	0.7
193.08606	0.4
198.05330	0.8
203.07249	0.7
203.10753	0.5
204.21349	0.4
205.05086	1.5
205.08789	0.7
206.05850	0.9
206.09468	0.4
207.06645	4.0
207.10309	0.4
208.07407	2.1
209.08218	0.6
217.05087	0.4
217.12363	0.9
219.06654	4.0
219.10077	0.6
220.07413	2.1
221.08224	6.6
222.08968	3.0
231.06601	0.4
231.10349	0.6
233.08203	17.2
234.08611	1.6
235.09755	1.7
245.08119	0.8
245.11800	1.3
245.15352	0.6
246.08871	0.5
246.12633	2.1
247.09766	9.0
247.12524	0.6
248.10211	0.6
252.06516	0.5
254.07802	0.4
257.15436	0.9
259.09778	1.0
260.14297	0.4
261.11282	1.5
261.14948	0.9
271.13531	0.5
273.11359	2.7
273.14783	0.7
274.11841	0.6
275.09631	0.4
275.12915	1.8
276.13397	0.5
287.12927	1.5
288.13705	5.6
289.10846	7.4
289.14450	13.8
290.11478	2.0
290.14944	2.6
291.15857	0.4
301.14484	10.1
301.17767	0.4
302.14825	1.5
302.18744	0.6
303.12357	0.8
303.16000	1.8
303.19370	0.5
313.21710	0.5
315.16098	0.6
315.19696	1.0
316.13174	1.1
317.13861	0.7
327.15634	0.5
327.23129	0.3
329.21234	0.9
331.19153	1.4
341.17581	1.0
341.21558	0.5
343.19214	1.0
357.16278	0.6
357.20740	15.7
358.21344	3.5
359.18646	63.6
360.19077	10.6
371.22342	5.3
372.22620	1.0
385.19864	2.3
385.24081	1.0
386.20596	0.5
390.20898	0.3
399.21515	0.6
399.25946	0.6
413.23367	0.9
414.24045	0.7
425.26947	0.7
427.24945	1.2
428.25674	1.3
429.26514	5.3
430.26810	0.9
441.26648	0.5
442.27274	1.3
448.09601	0.4
467.35504	0.6
511.30240	100.0
512.30518	22.4
531.34937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.306
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41253	0.4
69.23799	0.3
69.50374	0.3
69.87918	1.1
69.88354	1.4
72.99849	0.3
78.67250	0.4
79.01937	0.5
94.19646	0.3
111.04531	9.6
122.03778	0.4
123.08235	1.0
133.06586	0.7
151.04112	1.2
163.04039	0.8
166.02980	0.4
177.02013	1.6
177.05585	2.8
178.06372	0.4
178.10130	1.0
190.02774	0.6
191.03520	0.6
192.08014	0.4
194.06009	0.5
198.05423	0.6
203.07205	0.7
205.05133	1.2
206.05829	0.6
207.06647	3.8
208.07375	1.2
215.07188	0.4
215.14244	0.5
217.08699	0.4
217.12320	0.7
219.06613	3.1
219.10266	0.6
220.07405	1.7
221.08212	6.7
222.08873	1.2
231.06641	0.5
233.08179	16.9
234.08656	1.3
245.11867	1.6
245.15408	0.6
246.12520	2.0
247.09761	4.8
254.08023	0.5
255.13994	0.6
257.15387	0.9
259.09512	0.4
261.05664	0.4
261.11374	0.6
261.15039	0.8
264.12399	0.4
273.11395	0.9
274.12326	0.5
275.09714	0.3
275.12930	1.8
283.13654	0.4
283.26370	0.6
287.12918	1.4
288.13730	5.7
289.10907	3.4
289.14468	14.7
290.11533	1.6
290.14899	1.9
291.16278	0.6
301.14459	7.9
302.14890	1.4
313.21664	0.7
315.19662	0.6
316.13049	1.0
317.13861	0.5
320.11365	0.4
331.19125	1.2
343.19223	1.3
357.20724	15.8
358.21259	4.7
359.18628	52.5
360.19092	8.0
371.18051	0.3
371.22314	5.3
372.22748	0.9
385.19766	2.0
385.24341	0.6
413.23206	1.2
428.25888	1.8
429.26553	2.4
430.27271	0.5
511.30511	100.0
512.30811	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
61.98806	4.2
62.65025	2.6
70.47894	12.2
87.59524	2.5
93.56436	2.9
97.06606	28.5
101.06094	11.0
139.04016	21.2
153.05580	5.3
191.10692	3.5
194.08641	2.9
196.07358	11.8
209.11810	7.9
253.10805	11.8
265.14438	100.0
266.14780	12.5
275.12738	3.2
284.04156	2.9
289.21799	6.7
293.13861	31.0
322.14038	5.1
333.20740	4.2
351.18176	18.0
352.18677	3.0
363.21793	4.1
447.27780	4.4
475.27057	70.6
476.27417	13.3
533.19562	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	511.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13048	0.8
58.75463	0.8
59.01378	4.0
62.85349	0.8
70.95672	2.0
75.27544	0.8
93.49746	1.0
111.04522	2.1
139.91701	0.9
151.04033	3.3
180.04288	2.5
193.08766	1.0
203.07076	1.4
207.06718	5.3
208.07335	2.0
221.08206	64.0
222.08913	18.2
223.09360	1.6
223.56419	0.9
226.62328	0.9
232.97543	1.9
233.08206	3.4
235.09778	3.5
264.46140	0.9
303.16147	1.3
360.19290	1.6
385.27145	1.0
429.26468	100.0
430.26779	19.3
526.39221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13637	0.2
55.24933	0.2
57.03449	0.7
59.01372	1.1
61.98832	3.2
69.03456	0.2
70.90318	0.2
70.90651	0.5
71.01387	0.7
71.04998	0.2
72.95434	0.2
73.02956	0.2
80.02684	1.4
81.03468	1.5
83.01396	0.5
83.05032	6.0
84.02173	1.0
85.02961	0.3
85.06606	0.3
87.04530	0.5
89.02475	0.4
93.03483	1.1
95.05042	1.3
96.96047	0.2
97.02971	0.3
97.06601	0.8
101.02442	0.3
101.06109	0.2
107.05067	0.2
109.02934	0.2
109.06605	0.6
110.06981	0.2
111.04506	1.8
111.08158	0.3
119.05081	0.4
121.02953	0.4
121.06577	0.2
123.08172	0.8
125.02463	0.6
125.06080	0.7
125.09745	2.3
125.10622	0.3
127.11303	0.4
135.08156	1.3
145.02950	0.7
147.11858	0.3
149.09723	0.8
151.00385	0.4
153.61456	0.2
161.02426	0.2
163.10020	0.3
163.11317	4.4
164.11655	0.2
165.12851	2.7
165.14120	0.3
167.03493	0.2
169.05077	0.2
171.10286	22.9
172.10646	1.1
175.11244	0.2
178.93587	0.2
179.07123	0.3
179.10881	0.2
181.12363	0.8
183.13940	0.2
185.11877	1.4
191.05608	0.6
191.10849	1.1
195.06609	0.3
199.13351	0.3
203.10895	0.2
203.14455	0.5
205.12357	0.3
207.10289	0.6
209.11838	100.0
210.12164	7.6
211.13368	0.2
213.05679	0.3
219.13933	0.5
221.11833	1.1
221.15471	0.3
223.13313	1.2
225.11281	0.2
227.12892	9.2
228.13258	0.6
229.12247	0.6
229.14272	0.2
231.13884	0.5
239.12790	0.2
247.13382	7.2
248.13869	0.8
249.14958	0.3
256.03601	0.2
265.14441	2.5
270.82516	0.2
271.02460	0.2
274.68695	0.2
281.10385	1.2
281.13379	0.2
283.02454	0.3
285.03796	0.2
300.02774	0.4
301.03189	0.7
302.03763	0.3
303.16135	0.3
321.17178	0.6
331.22852	0.4
333.13382	0.3
337.97910	0.2
339.18494	0.3
357.20758	0.6
373.23779	0.3
375.21445	1.0
375.25662	0.8
383.22223	0.3
391.24847	0.2
401.23450	1.0
402.23880	0.2
419.24786	0.8
431.11420	0.2
431.24210	0.6
432.24695	0.2
437.25623	0.3
448.09637	0.8
449.10092	0.3
449.25586	2.2
450.25565	0.3
457.26004	0.4
463.19800	0.8
467.26315	0.3
475.27051	3.1
476.27167	0.5
493.22488	0.2
493.28259	2.0
494.28308	0.3
511.21552	0.9
511.30154	2.2
512.29602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2333
Annotation	Illicidione B
Peak:m/z	Relative Intensity
50.02305	0.5
52.78375	0.5
57.03449	0.8
59.01383	1.3
61.98842	3.7
70.07203	0.5
71.01390	1.4
71.70795	0.5
71.71317	0.9
78.95929	0.7
89.46940	0.7
93.03473	2.6
97.03036	0.5
111.04539	0.5
115.48702	0.6
116.72018	0.6
117.03490	12.3
121.02982	0.7
135.04530	4.1
136.01669	0.8
137.02449	1.6
145.02957	2.9
149.02432	0.7
149.06015	0.9
151.00365	0.6
161.02466	100.0
162.02800	6.0
163.04018	8.8
173.06097	1.9
176.01167	3.9
177.01976	1.2
187.00366	3.6
188.04901	0.6
189.01941	22.6
190.02374	1.8
201.11334	1.0
209.11803	2.0
211.13428	4.6
212.77271	0.6
215.03497	1.0
217.05095	1.3
221.11838	0.7
225.05547	0.7
225.11259	1.0
227.12956	0.8
229.05115	1.4
235.13451	0.6
241.05055	0.7
242.05830	3.0
243.03078	0.7
243.06548	2.4
257.04483	0.8
257.11700	0.6
258.05261	0.7
263.12845	1.4
267.10577	0.6
269.08109	0.6
270.05325	1.8
271.06119	8.2
272.01736	0.6
272.06808	2.8
283.06229	1.2
283.09732	2.2
285.07697	0.9
285.11234	0.7
311.09235	1.1
311.12747	0.7
313.07169	1.8
314.07849	0.9
325.10715	0.8
327.12256	0.7
336.44788	0.6
339.12375	5.7
339.16019	1.2
340.12933	2.1
341.13861	1.2
353.14069	1.4
357.13412	1.0
369.13446	2.9
370.14041	2.8
373.20062	0.8
379.15323	0.6
381.12979	0.7
381.17123	1.6
382.14325	2.3
383.14807	0.6
397.16779	1.1
404.04327	0.5
425.16040	22.9
426.16345	4.1
437.19717	5.0
438.19827	1.0
442.16681	0.6
449.23929	0.7
451.21799	2.8
475.27310	0.7
479.20654	5.5
480.21088	1.4
493.22296	12.0
494.22919	6.1
511.23325	65.2
512.23718	14.0
512.30957	1.0
526.21942	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	511.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20403	2.3
53.75705	2.7
57.03442	3.6
60.27922	2.6
61.98810	4.0
69.61498	2.5
70.90543	8.7
79.67184	2.5
83.29407	2.6
86.13625	2.7
97.06608	30.8
101.06094	15.5
113.06118	3.1
125.02439	3.9
139.03983	24.0
153.05635	3.8
158.59550	2.8
191.10828	4.5
196.07362	12.6
200.06877	6.0
209.11841	5.8
214.93452	2.6
253.10800	11.4
265.14447	100.0
266.14847	13.0
289.21756	7.1
293.13943	34.4
322.14340	9.4
333.20743	5.7
335.72205	2.9
351.18069	19.1
363.21732	4.0
391.21210	2.8
447.27802	4.5
448.28122	3.2
457.12115	2.8
475.27017	82.0
475.45770	3.0
476.27475	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	511.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
58.00610	0.4
59.01382	1.1
63.07120	0.3
64.00597	0.3
67.01897	0.8
69.03467	1.0
70.46309	0.7
70.46696	0.8
71.01392	1.9
72.99345	0.4
73.02954	2.9
81.03482	1.0
83.05048	1.4
85.02961	2.9
87.00867	1.8
93.03471	16.5
94.03814	0.4
99.00884	0.9
99.04552	0.7
101.02486	0.4
106.04242	0.8
107.05038	1.2
109.02962	2.2
111.04527	3.3
116.92867	1.0
119.05050	12.7
120.05414	0.5
121.02943	0.4
123.04476	0.4
125.06084	0.7
127.04026	0.8
129.01956	0.6
129.27446	0.3
131.05029	0.3
133.06653	1.2
136.04489	0.4
137.02490	2.8
145.02905	0.4
145.06628	0.9
147.04593	0.7
155.03557	2.2
157.06615	1.2
161.06133	1.0
163.04028	9.5
171.03056	0.5
171.08192	0.6
173.04590	13.7
173.06067	1.5
173.09776	0.4
174.04941	0.5
175.07700	0.4
183.08231	0.4
185.06073	0.6
185.09753	0.4
187.07619	1.5
189.09225	2.1
191.05632	33.1
192.05981	1.3
193.06589	1.3
195.08139	2.9
201.05693	0.3
201.09259	0.6
211.07704	1.6
213.09219	2.9
215.07179	0.4
216.98256	0.4
225.71074	0.3
229.08781	1.4
230.08928	0.4
231.10246	0.6
239.07100	0.4
257.08206	0.5
275.09283	0.4
289.02267	0.5
291.08582	0.3
293.10330	7.2
294.10736	0.9
319.08188	3.2
337.09308	100.0
338.09634	9.9
338.13715	0.5
450.80923	0.3
451.05795	2.4
511.14560	36.8
512.15057	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33552	0.2
57.03464	0.2
59.01374	1.3
61.98835	100.0
62.98545	0.2
63.99268	0.4
65.00338	0.2
69.39776	0.2
69.40179	1.4
71.01400	1.0
73.02938	0.4
78.98608	0.3
79.95751	0.8
80.96526	3.1
83.01419	0.3
85.02988	0.3
87.00905	0.2
87.04550	0.3
89.02461	0.6
93.03494	0.1
94.98102	0.8
96.96029	0.6
97.02936	0.3
99.92615	0.2
101.02485	0.6
101.06097	0.2
106.98087	0.2
107.01437	0.5
108.08868	0.1
108.29155	0.1
109.02983	0.4
113.02508	0.3
115.92211	0.2
116.92883	1.5
121.02988	0.5
122.97642	0.5
124.01713	0.2
125.02507	1.1
134.97656	0.2
145.02974	0.2
148.01653	0.2
148.99193	0.4
151.00417	2.3
152.98683	0.3
153.02023	0.2
155.10846	0.3
161.04665	0.2
163.00444	0.5
163.04019	0.2
164.98689	0.6
169.01453	0.4
178.99899	0.8
182.99806	0.2
191.05621	0.5
195.10094	0.1
211.13437	0.4
221.08127	0.2
225.00822	1.2
227.03607	0.2
243.03087	0.7
244.03439	0.2
245.04564	0.2
254.02222	0.2
255.02991	2.3
256.03354	0.3
271.02484	3.9
271.05353	0.3
272.03052	0.6
283.02628	0.3
285.04095	0.3
295.02692	0.3
300.02768	8.1
301.03506	6.6
302.04135	0.5
404.16492	0.2
434.16846	0.2
447.09219	11.5
448.09448	1.9
450.22919	0.2
451.29446	0.2
509.26456	0.2
510.18680	0.5
510.27789	0.5
511.18527	7.3
511.25488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
61.98832	100.0
62.98539	0.4
70.29274	1.0
72.65441	0.2
81.31512	0.2
95.05048	0.2
111.04536	0.5
121.02973	0.2
123.04551	0.2
135.76202	0.2
145.03004	1.0
147.07320	0.2
151.00423	0.3
161.93857	0.2
179.07222	0.2
207.10365	0.5
209.11862	1.0
210.12230	0.5
211.80472	0.2
213.05589	0.5
225.11417	0.7
227.12973	0.3
227.44727	0.2
241.05353	0.3
255.02745	0.2
255.06712	1.3
262.49759	0.2
271.02646	0.3
281.08130	0.3
300.02914	0.9
301.03729	0.5
309.07755	0.5
325.10999	0.3
367.15384	1.4
393.16891	0.3
419.18756	0.3
447.08539	1.1
447.14584	0.3
467.24655	0.6
478.25558	0.4
510.28110	1.2
511.22983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33552	0.2
57.03464	0.2
59.01374	1.3
61.98835	100.0
62.98545	0.2
63.99268	0.4
65.00338	0.2
69.39776	0.2
69.40179	1.4
71.01400	1.0
73.02938	0.4
78.98608	0.3
79.95751	0.8
80.96526	3.1
83.01419	0.3
85.02988	0.3
87.00905	0.2
87.04550	0.3
89.02461	0.6
93.03494	0.1
94.98102	0.8
96.96029	0.6
97.02936	0.3
99.92615	0.2
101.02485	0.6
101.06097	0.2
106.98087	0.2
107.01437	0.5
108.08868	0.1
108.29155	0.1
109.02983	0.4
113.02508	0.3
115.92211	0.2
116.92883	1.5
121.02988	0.5
122.97642	0.5
124.01713	0.2
125.02507	1.1
134.97656	0.2
145.02974	0.2
148.01653	0.2
148.99193	0.4
151.00417	2.3
152.98683	0.3
153.02023	0.2
155.10846	0.3
161.04665	0.2
163.00444	0.5
163.04019	0.2
164.98689	0.6
169.01453	0.4
178.99899	0.8
182.99806	0.2
191.05621	0.5
195.10094	0.1
211.13437	0.4
221.08127	0.2
225.00822	1.2
227.03607	0.2
243.03087	0.7
244.03439	0.2
245.04564	0.2
254.02222	0.2
255.02991	2.3
256.03354	0.3
271.02484	3.9
271.05353	0.3
272.03052	0.6
283.02628	0.3
285.04095	0.3
295.02692	0.3
300.02768	8.1
301.03506	6.6
302.04135	0.5
404.16492	0.2
434.16846	0.2
447.09219	11.5
448.09448	1.9
450.22919	0.2
451.29446	0.2
509.26456	0.2
510.18680	0.5
510.27789	0.5
511.18527	7.3
511.25488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21577	0.2
57.01495	0.1
57.03445	0.5
59.01382	5.3
61.98833	100.0
69.99134	0.8
70.48786	0.2
71.01390	1.8
73.02951	0.3
83.01446	0.2
83.05063	0.2
85.02966	0.4
88.98830	0.2
89.02438	1.2
99.00892	0.3
101.02467	1.0
101.06079	0.2
107.01384	0.2
109.02982	0.4
111.04575	0.2
113.02472	0.5
115.37502	0.1
119.03487	0.2
121.03004	0.4
125.02453	0.4
125.06120	0.2
131.03575	0.2
135.04509	0.2
136.07736	0.5
137.06149	0.5
138.06566	0.2
143.03642	0.1
145.02979	0.7
149.02521	0.2
149.04573	0.2
149.51932	0.1
151.00435	0.7
156.44466	0.1
157.12407	0.6
161.02492	0.2
161.04587	0.4
163.04095	0.3
165.02007	0.2
165.09245	0.9
178.99902	0.4
179.05692	0.2
179.10699	0.2
181.05151	0.9
181.38744	0.2
182.05397	0.4
191.05667	0.6
201.12856	0.2
205.12433	0.2
207.06720	0.3
211.04044	0.2
211.13438	0.5
212.13779	0.4
219.06467	0.2
221.08354	0.2
226.03293	0.1
230.66963	0.2
231.13864	0.2
243.03078	0.3
244.14267	0.2
245.04288	0.2
255.02936	1.0
271.02466	2.1
271.17050	0.4
272.02957	0.3
283.02557	0.3
289.18066	2.6
293.08862	0.3
300.02753	4.5
301.03494	4.0
328.05765	0.2
331.19073	0.7
349.20364	1.0
405.13525	0.3
434.17429	0.7
447.09317	6.7
448.09772	1.1
450.24152	0.7
466.19937	0.4
478.16458	0.5
479.21072	0.7
510.11661	1.1
510.18478	0.3
510.28922	0.9
511.25360	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71141	0.1
59.01378	0.1
61.98832	17.7
63.02394	0.6
65.00323	1.2
65.00626	0.2
69.65822	0.8
70.92699	0.1
71.01405	0.2
83.01384	0.8
83.89841	0.1
84.67151	0.1
84.74741	0.1
86.63766	0.1
89.02425	0.1
90.98368	0.1
91.01909	0.4
93.03449	0.5
96.96030	0.1
107.01405	3.1
108.02190	1.0
109.02971	2.2
111.00848	0.1
119.01393	0.4
121.02974	2.8
124.01685	0.3
125.02452	0.4
135.00888	0.7
139.04034	0.4
147.00941	0.2
147.04523	0.1
148.01709	0.9
149.02489	0.5
151.00391	13.7
152.00696	0.6
153.01959	0.3
154.84448	0.1
156.40994	0.1
157.06587	0.1
159.04515	0.4
161.02501	0.2
163.00400	3.6
163.03912	0.1
164.01157	0.7
165.01923	0.2
167.05084	0.2
169.01421	0.6
171.04529	0.2
173.06062	0.2
174.03062	0.1
175.03978	0.3
178.99876	6.7
180.00221	0.4
183.04503	0.4
185.06081	0.3
187.04005	0.6
187.86627	0.1
189.02061	0.2
189.05499	0.1
190.99834	0.3
191.05827	0.1
192.00607	0.4
193.01437	0.2
195.04602	0.1
199.03967	0.5
200.04784	0.1
201.02005	0.1
201.05559	0.7
203.03516	0.3
205.05099	0.1
211.04005	1.5
212.04762	0.2
213.01920	0.3
214.02580	0.1
215.03520	0.5
216.04318	0.4
217.04869	0.1
226.02750	1.0
227.03494	2.6
228.04091	0.5
229.05011	1.0
239.03398	0.7
240.04178	0.2
242.02335	0.1
243.02975	6.6
244.03543	0.7
245.04536	2.1
246.04991	0.2
254.02226	1.5
255.02975	20.7
256.03378	2.0
257.04587	0.3
265.01538	0.1
266.02164	0.3
271.02463	39.3
272.02872	5.2
273.03983	1.4
281.85425	0.1
283.02484	1.9
284.03265	0.8
285.03836	0.4
299.02081	0.9
300.02753	73.7
301.03476	56.5
302.03867	4.9
422.89999	0.1
447.09323	100.0
448.09644	15.7
509.28848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57108	0.8
51.23662	0.7
61.98828	13.5
65.00336	1.1
69.47679	6.5
69.48100	3.2
79.67706	0.8
80.48946	0.8
107.01426	2.6
109.02994	1.7
121.03004	2.7
126.99725	0.9
138.47679	0.9
148.01781	1.2
151.00374	11.0
152.00766	1.3
163.00363	2.9
178.99899	6.1
227.03586	2.5
229.04915	1.2
243.02979	6.1
245.04578	2.3
254.02307	1.2
255.02977	19.4
256.03384	1.7
271.02444	35.2
272.03000	3.3
281.68344	0.8
299.02274	1.1
300.02768	62.6
301.03503	44.8
302.03885	2.7
381.61050	0.8
398.93442	0.9
447.09326	100.0
448.09677	15.4
475.73343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
57.03451	5.3
58.00581	0.9
59.01380	49.6
60.01714	1.1
61.98832	10.6
69.03455	1.5
71.01388	48.9
72.01723	1.3
72.99323	1.8
73.02533	1.1
73.02952	22.4
75.00871	1.6
78.95917	1.1
81.03464	0.8
83.01386	9.3
84.01678	0.8
85.02958	24.6
87.00894	4.0
87.04523	100.0
88.04857	2.3
88.98779	0.8
89.02457	11.1
95.01409	3.5
97.02960	4.7
99.00892	11.2
99.04526	1.9
101.02455	45.8
101.06088	1.1
102.02805	1.0
107.01375	1.0
109.02988	0.8
111.00922	1.9
113.02468	19.2
114.02797	1.0
115.04030	3.2
121.02997	0.7
123.00894	0.9
123.04549	1.1
125.02452	5.8
125.06118	0.7
129.01952	0.8
131.03522	24.2
132.03841	0.8
138.03204	0.8
139.03973	1.1
141.05540	0.8
143.03564	3.1
145.12410	1.5
149.04572	1.9
151.00360	1.9
151.04034	2.6
159.03011	3.0
161.04575	15.3
162.04858	0.9
191.05585	1.7
191.07191	0.8
193.05193	0.8
195.06654	1.3
205.07324	0.8
207.06615	6.9
208.07323	1.5
221.08244	0.8
233.06664	2.6
234.05324	0.8
243.02843	0.7
251.09277	1.9
255.03035	2.0
271.02493	4.1
289.16635	0.8
293.08740	1.8
300.02768	5.3
301.03513	5.8
305.10437	0.9
307.17734	5.1
308.17828	0.7
317.19702	60.0
318.19983	5.4
319.23315	0.8
377.21777	13.2
377.26205	0.9
378.22037	1.2
412.13712	1.6
421.20761	13.1
422.21002	1.0
425.21915	0.8
439.21805	3.2
447.09338	12.0
449.23932	17.6
450.24258	2.9
465.24826	2.6
508.35818	2.9
509.26450	70.1
509.35733	6.0
510.19699	1.1
510.26874	11.9
521.02869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
57.03453	4.6
58.00587	1.8
59.01382	47.4
60.01731	0.8
61.98835	8.6
69.03457	1.8
69.43158	5.6
71.01385	48.0
71.05038	0.8
72.01714	1.1
72.99307	2.0
73.02957	19.8
74.03286	1.0
75.00870	1.9
78.98631	0.6
81.03447	1.0
83.01396	10.7
85.02962	25.1
87.00880	3.8
87.04525	100.0
88.04879	1.8
89.02454	10.3
95.01402	3.0
97.02966	3.7
99.00897	10.4
101.02458	42.9
101.06113	1.0
102.02824	1.7
107.01404	0.6
108.22235	0.5
109.02979	1.0
111.00873	1.5
111.04527	0.9
113.02464	18.6
114.02823	0.7
115.04014	2.8
121.37070	0.6
123.00945	0.8
123.04584	1.0
125.02469	5.9
129.01936	1.3
131.03525	24.9
132.03842	0.8
137.02499	0.7
139.04059	1.3
143.03542	2.8
145.02924	0.7
145.12366	0.7
147.93613	0.6
149.04588	1.5
151.00366	1.9
151.04037	2.1
157.94023	0.6
159.03029	2.7
161.04581	16.3
165.02116	0.6
178.99883	0.9
191.05664	2.0
193.05174	1.3
195.06609	1.0
207.06625	5.9
207.37939	0.6
208.07301	1.1
209.08040	0.8
221.08264	0.8
233.06659	1.8
251.09282	2.6
255.03050	1.8
271.02438	3.4
277.14435	0.7
290.07999	1.1
293.08871	1.9
300.02734	6.7
301.03528	3.6
305.10321	0.9
307.17737	5.3
317.19711	54.3
318.20084	5.9
377.21780	10.5
378.22253	1.6
412.45804	0.8
421.20804	12.7
422.21167	1.7
439.21741	3.1
447.09265	11.1
449.23929	19.1
450.24304	2.8
465.24915	2.0
466.25601	1.0
508.35495	1.8
509.26419	62.2
509.35663	3.5
510.19574	1.1
510.26724	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	509.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.2
59.01374	2.0
61.00473	0.5
61.98838	4.6
67.03506	0.5
68.99828	1.0
69.03461	2.1
71.01398	0.8
71.05023	0.9
71.42868	0.8
73.02469	0.5
80.02685	0.8
81.78819	0.5
83.05028	4.1
85.02959	1.9
85.06608	5.6
87.04518	7.6
93.03452	0.7
93.07125	1.4
95.01431	0.8
95.05038	18.3
96.05426	0.8
97.02956	0.7
97.06595	2.8
98.03732	1.3
99.04527	0.8
101.06107	1.6
107.05059	1.0
109.02971	3.2
109.03596	0.5
109.06622	1.6
111.00904	1.9
111.04536	53.3
111.08202	4.0
112.04868	1.2
113.02490	0.5
113.06104	33.6
114.06450	1.1
121.06612	3.1
122.03803	0.6
123.04560	2.1
123.08182	3.1
125.06105	2.0
125.09844	0.5
127.07684	2.0
133.06612	0.7
135.08145	0.9
137.06100	2.4
137.09772	1.1
139.04070	1.6
139.07693	2.6
141.09271	2.7
145.03000	1.8
147.08144	0.8
149.06085	1.5
151.00400	1.0
151.04013	0.6
151.07715	1.2
153.09299	1.2
155.07167	1.6
161.09720	0.8
163.07657	1.7
163.11362	3.0
165.09224	3.8
167.07176	4.3
167.10796	0.8
175.07704	0.7
177.09100	0.6
179.07115	4.1
179.10803	1.3
181.08717	1.9
183.10245	0.7
189.09123	0.6
191.07127	1.1
191.10902	1.6
193.08727	7.5
193.12276	0.6
204.67058	0.6
205.08815	0.9
205.12292	1.0
207.10268	4.6
209.08263	1.2
209.11810	2.6
211.09938	2.7
217.12428	0.6
219.10222	0.9
221.08200	0.7
225.11295	13.8
226.11627	1.1
227.12888	0.6
231.10352	0.7
233.11786	1.5
234.05455	0.7
235.06354	0.6
235.09775	1.7
243.14055	0.7
247.09700	1.1
249.11342	2.4
251.09235	1.2
253.10811	0.8
255.02907	0.9
257.13889	5.7
263.09155	0.7
269.10248	2.6
271.02542	1.2
279.12158	0.6
300.02771	4.8
301.03470	2.6
303.16107	1.3
319.15582	1.6
321.17157	3.8
322.17456	0.9
347.18579	1.3
357.17239	1.1
373.20297	1.3
374.20602	0.7
375.21075	1.6
412.13815	1.3
415.21268	16.9
416.21729	3.0
433.22208	4.9
434.22821	0.7
447.09317	5.5
461.21658	0.8
477.21304	78.5
478.21683	13.1
509.23831	100.0
510.24194	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	21.2
59.01389	7.8
61.98832	25.1
67.05529	1.2
68.99821	8.1
69.03460	3.7
71.01396	1.9
71.05032	2.9
73.02946	1.1
76.36764	1.2
78.95914	2.7
79.05553	1.3
81.03461	3.6
83.01395	3.1
83.05025	16.9
85.02949	3.5
85.06574	7.2
87.04524	32.5
91.46980	1.0
93.03469	3.0
95.01398	2.3
95.05036	15.4
96.02203	1.4
97.02981	14.5
97.06599	8.2
98.19920	3.1
99.04526	6.0
99.08159	2.5
101.06103	7.1
107.05043	7.8
108.02259	1.1
109.02977	4.7
109.06612	8.1
109.83944	1.0
111.00913	1.9
111.04534	100.0
111.08161	1.8
112.04896	2.8
113.02496	1.2
113.06120	6.8
115.04038	4.4
117.03362	1.2
121.02979	2.0
121.06600	7.2
122.03773	2.5
123.04540	8.6
123.08204	7.9
125.02508	1.7
125.06084	11.6
125.09731	3.8
127.04018	2.0
127.07686	6.5
129.05602	2.6
133.06613	2.1
135.04541	3.6
135.08168	7.8
136.05304	1.7
137.02470	2.8
137.06096	7.3
137.09735	1.8
138.03258	3.0
139.04039	7.2
139.07663	3.5
141.09203	1.5
145.05119	1.2
147.08148	3.3
149.06059	6.6
149.09669	1.1
151.00401	1.7
151.04024	4.9
151.07674	3.6
152.07932	1.2
153.01953	3.0
153.05592	2.4
153.09207	2.6
155.07222	1.6
157.08710	1.4
159.04549	1.5
159.08167	1.9
161.06062	3.1
161.09735	2.4
163.04054	2.2
163.07700	5.2
163.11372	5.8
164.04747	1.1
165.01930	1.6
165.05617	6.4
165.09245	14.1
167.07172	7.3
169.08777	1.4
171.10376	1.3
173.06100	2.6
173.09793	2.0
175.04019	2.6
175.07678	5.1
177.05611	4.0
177.09222	5.9
177.12947	1.4
178.06354	1.5
179.03510	1.5
179.07158	10.1
179.10817	2.7
180.04305	3.1
181.05067	8.5
181.08743	4.5
182.05533	1.4
183.06650	3.1
187.07616	1.3
187.11371	1.5
189.05525	1.8
189.09245	3.9
191.03532	2.4
191.07210	5.3
191.10789	8.1
191.91104	1.1
192.07933	2.9
193.05040	3.5
193.08730	9.1
193.12398	2.0
195.06618	3.8
195.10188	1.9
201.05533	1.9
201.09222	3.1
201.11342	1.1
203.07220	2.6
203.10764	3.7
203.14532	1.5
205.08698	5.5
205.12367	3.1
207.06631	5.1
207.10258	10.0
208.07407	5.7
209.08229	29.9
209.11835	10.4
210.08682	1.2
217.05025	3.4
217.08679	2.9
217.12289	2.2
218.09256	1.3
219.06664	4.2
219.10213	2.6
220.07397	2.7
221.08194	12.7
221.11794	1.7
222.08665	1.4
223.09741	9.5
224.06859	1.7
225.07854	1.4
225.11316	27.7
226.11630	1.8
227.10884	1.5
227.12851	2.6
229.08722	1.6
229.12338	3.1
231.06624	1.9
231.10234	5.6
233.08246	5.9
233.11888	1.5
235.06116	3.4
235.09773	8.7
235.13538	1.5
236.10268	1.9
237.07773	2.2
237.11385	1.4
239.09206	2.0
239.12914	2.4
241.10750	1.6
243.10210	1.5
245.08223	14.3
245.11729	4.4
246.08839	1.3
247.06107	2.2
247.09801	5.9
247.13327	5.5
249.07889	2.0
249.11269	2.2
249.14865	1.4
251.09233	28.8
252.09566	2.7
253.10817	8.7
255.03006	1.7
261.11160	2.4
263.09351	5.3
263.12213	1.1
265.10880	5.7
271.02307	3.1
271.09717	2.0
273.07617	4.4
273.11124	1.1
273.14838	1.0
275.09250	9.7
275.12180	1.6
277.10898	2.1
277.14450	1.6
279.12439	1.3
279.29944	1.0
281.14108	1.3
283.11856	21.7
284.12256	2.0
287.09189	4.4
287.12537	1.6
289.10825	15.1
289.14346	3.4
290.11377	2.3
291.12347	1.6
293.13681	2.7
296.12195	1.3
300.02744	6.4
301.03503	4.5
303.12582	1.3
303.15985	1.6
305.13931	1.4
307.15668	1.8
309.17108	3.7
311.14838	1.8
315.12332	1.7
317.10269	3.2
317.14075	3.3
319.15643	2.2
321.13507	13.5
321.17020	2.3
322.13873	1.2
331.11856	6.1
331.15399	1.7
332.12531	3.2
332.85037	1.3
333.13434	66.5
334.13824	8.4
335.14975	4.0
347.14993	8.1
349.12906	9.7
351.18002	1.8
353.16052	85.8
354.16440	12.9
364.15088	1.7
365.16025	6.8
391.17245	1.5
391.21451	1.7
417.18817	1.3
447.08997	11.1
447.23688	11.9
459.20224	6.2
461.25519	5.4
465.26028	1.2
473.25586	1.7
477.21332	13.6
477.25668	4.0
478.20779	2.7
491.26517	2.6
509.23990	21.6
509.26801	18.9
510.27594	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	508.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71809	0.3
57.03444	0.5
59.01377	0.8
61.98833	100.0
71.71185	0.4
71.71623	0.5
83.05015	0.4
85.06601	0.6
87.04530	0.9
92.37900	0.3
99.08199	0.4
99.34068	0.4
101.06106	0.8
106.20328	0.3
111.04568	1.4
111.08167	0.5
113.43254	0.3
121.06633	0.4
125.06116	2.3
126.06492	0.7
137.09735	0.4
144.38982	0.3
152.04700	0.3
157.08737	0.6
163.15207	0.4
181.08701	0.3
207.10268	0.6
209.08029	0.3
209.11862	0.7
221.08292	0.7
235.09680	0.5
236.10243	1.3
323.22531	0.4
324.22684	0.4
329.16290	0.6
445.25824	5.0
446.26196	1.8
476.23944	0.6
490.25418	0.6
506.44647	0.3
508.26257	2.5
509.27570	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	508.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98544	0.3
62.99265	0.1
65.08882	0.1
71.30507	0.1
71.30835	0.2
74.14508	0.1
89.84879	0.1
101.06142	0.1
125.06105	0.1
127.25096	0.1
130.06558	0.1
164.57130	0.1
209.08131	0.1
212.28827	0.1
280.23660	0.2
508.29654	0.2
509.27597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85301	6.3
56.17635	6.1
58.27036	6.4
59.01369	15.8
65.00304	8.8
71.01390	11.5
71.05296	19.6
73.05888	7.1
83.94469	6.7
86.44019	7.4
107.01409	8.1
116.92912	13.5
117.94405	6.4
120.99708	8.6
125.02468	11.8
151.00380	30.0
159.50769	6.6
189.02043	7.9
191.05574	9.3
194.76346	8.3
205.21704	7.3
215.03523	9.2
231.42169	6.8
249.47769	7.7
255.03021	19.2
259.09708	69.0
277.05933	7.0
283.02835	7.6
285.04272	8.6
310.51678	7.4
419.10284	7.7
447.09314	100.0
509.28598	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55611	0.2
57.03457	0.4
59.01374	1.4
61.98832	100.0
62.98555	0.2
64.00107	0.2
66.64423	0.2
68.80183	0.2
70.53790	0.6
71.01407	0.3
72.99316	3.8
75.00881	3.8
85.02963	0.2
87.04551	0.4
88.98841	0.3
89.02486	0.3
101.02497	0.3
125.02465	0.4
131.64291	0.2
151.00339	0.2
163.11406	0.2
207.10320	0.3
239.12892	8.2
240.13286	0.6
243.02806	0.2
255.94865	0.2
259.09827	0.3
283.11871	21.3
284.12173	2.0
301.03217	0.2
329.03122	0.6
385.14941	0.2
410.90094	0.2
508.11282	0.5
508.26099	0.2
509.23734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60206	1.4
53.54785	1.8
55.56224	1.9
57.03443	6.2
59.01385	4.1
59.93642	1.6
61.98833	45.3
68.99795	1.9
70.26631	7.6
71.05031	2.0
74.03751	1.3
78.54749	1.5
80.37415	2.1
85.02981	2.0
85.06590	3.7
87.04524	8.7
92.11629	1.6
93.74124	1.6
95.05037	1.9
97.06596	2.7
98.20525	2.1
101.06097	6.1
102.06350	1.5
107.05076	1.5
111.04536	9.2
111.08151	5.4
116.92892	1.7
123.08134	1.7
125.06111	13.2
126.06432	4.3
135.08238	2.2
137.06071	2.6
137.09700	2.8
138.03221	1.6
139.07787	2.3
157.08607	1.7
165.12866	2.2
166.02701	6.2
167.03052	2.0
167.51714	1.5
191.10808	2.2
193.08792	2.4
203.16687	1.7
207.10350	3.6
209.08234	2.0
209.11841	2.8
235.09749	4.4
235.92964	1.5
236.10078	2.8
243.17436	2.0
246.20235	1.4
279.15918	2.2
305.13959	4.3
306.14343	4.9
351.18094	3.2
352.18439	5.5
378.20178	2.6
388.18384	1.8
401.26889	4.3
406.19687	2.4
445.25974	100.0
446.26324	16.8
474.26126	1.9
476.23636	13.2
477.24536	3.9
508.26419	27.8
508.33255	3.1
509.27344	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	508.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.6
58.00606	1.3
59.01382	35.2
59.66573	0.9
61.98833	40.0
63.06813	1.1
69.03451	1.8
71.01386	16.7
71.71986	1.4
72.98927	1.4
72.99319	24.9
75.00879	38.1
79.90914	0.9
83.05034	8.7
85.02970	4.0
85.36512	0.9
87.00880	1.5
87.04523	2.7
89.02461	12.0
91.78593	0.9
99.00862	1.6
101.02468	7.7
103.00378	2.0
107.05024	6.9
107.08639	1.5
109.06584	1.8
110.74236	1.0
111.00894	1.0
113.02455	5.2
116.92869	1.0
119.03497	2.6
120.05772	2.3
125.02442	1.3
133.06644	4.7
135.04593	2.0
149.06087	2.4
152.03564	5.6
153.03809	1.9
154.04036	1.3
157.05048	1.6
159.08208	1.2
161.09764	7.6
163.11191	1.4
165.05580	1.2
175.11307	2.8
177.12872	2.0
179.05605	1.2
185.09628	1.9
189.09247	5.5
191.05766	1.7
192.59657	0.9
203.10695	2.0
207.10336	2.4
221.11801	7.4
223.09799	1.3
239.12895	46.7
240.13243	4.5
265.10794	31.6
266.11218	2.7
272.02725	2.1
274.04062	1.1
283.11871	82.4
284.12305	5.6
301.03329	1.9
313.41943	1.0
325.12799	2.0
328.12704	1.9
336.60657	1.0
345.10757	2.2
346.11166	4.0
347.14319	1.4
445.17148	100.0
446.17487	13.9
475.15628	1.5
478.17841	4.2
490.17947	6.6
509.24023	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59551	0.3
55.20267	0.4
70.95746	0.6
107.05030	1.3
112.35996	0.3
123.04578	2.2
125.06110	4.9
126.06438	0.4
129.36519	0.3
137.09727	0.9
138.10165	0.4
150.03006	0.3
151.04027	14.4
152.04599	0.5
154.87608	0.3
165.01912	0.4
166.02711	2.4
177.01941	3.4
179.03520	0.9
180.04308	3.5
181.04573	0.4
191.03506	0.7
191.10803	1.3
202.06276	0.5
207.10291	1.9
216.74146	0.4
217.08704	2.4
217.12225	0.4
218.09093	0.4
219.06702	0.5
219.10280	0.4
222.09019	3.2
223.09642	1.9
233.08195	0.6
235.09760	90.7
236.10191	9.2
247.09764	4.8
248.10269	0.6
261.11362	3.3
262.12091	1.2
263.12793	0.6
271.17123	1.1
275.12875	0.7
276.70038	0.4
315.16052	10.0
316.16434	0.9
379.26321	0.6
383.22379	0.4
395.22305	3.1
396.22595	0.5
423.25281	3.7
424.26071	0.5
437.27017	0.5
463.35922	1.9
464.36005	0.4
507.34790	100.0
508.35132	21.2
508.42908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
57.03451	2.8
58.00591	0.7
59.01384	12.6
61.98831	1.3
68.99825	0.4
69.03442	0.7
69.47614	1.2
69.48026	0.3
71.01388	27.6
71.05035	0.4
72.01722	0.6
72.02073	0.1
72.99316	1.2
73.02952	10.7
75.00884	0.7
81.39889	0.1
83.01395	5.9
84.01676	0.1
85.02960	16.8
85.06551	0.2
86.00113	1.0
86.03310	0.4
87.00883	1.5
89.02451	2.4
95.01388	2.6
97.02951	1.1
98.09592	0.2
99.00899	4.6
101.02458	22.2
102.02797	0.4
109.02942	0.1
111.00899	3.5
111.04510	0.2
113.02465	10.5
114.02782	0.3
119.03493	0.5
123.08167	0.2
124.01717	0.4
125.02495	0.9
129.01982	1.0
131.03490	0.3
141.01936	0.6
141.12827	0.3
143.03522	0.9
146.89261	0.2
157.12346	0.3
159.03000	2.6
161.04578	6.7
162.04929	0.3
179.05592	0.1
180.43639	0.1
185.15515	0.7
205.03474	0.3
207.06604	0.2
209.11891	0.2
209.19174	0.2
213.18643	0.3
224.07333	0.2
225.07654	0.2
235.09818	0.2
279.23193	0.2
286.98337	0.2
292.15579	0.2
295.82437	0.2
297.24231	0.4
299.25925	1.8
300.26334	0.2
327.29272	0.2
343.28412	0.2
345.30096	6.6
346.30612	1.1
387.31226	0.2
507.35345	100.0
508.35696	18.8
510.50357	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	507.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60348	0.2
57.03445	0.2
57.20022	0.2
63.59275	0.2
70.95766	0.6
79.01900	0.5
79.05536	0.3
101.06062	0.3
107.05013	1.1
123.04540	2.9
125.06099	5.0
133.06694	0.2
137.09727	0.9
138.03285	0.3
139.19032	0.2
149.02412	0.4
151.04022	12.9
152.04465	0.7
165.01941	0.5
166.02753	1.7
173.09633	0.3
177.01926	2.0
177.05591	0.5
178.02647	0.2
179.03503	0.7
179.10806	0.3
180.04312	2.3
189.09253	0.5
191.03459	0.5
191.10782	1.7
205.05092	0.4
206.05777	0.3
207.10274	3.0
208.10641	0.2
217.08693	4.9
218.09082	0.3
219.06560	0.4
219.10326	0.4
221.08199	1.0
222.08963	4.5
223.09673	1.7
233.08131	1.3
233.11816	0.3
235.09750	92.0
236.10213	10.1
247.09737	5.2
248.10262	0.6
249.11336	0.4
253.15926	0.3
261.11301	2.5
262.11987	0.7
263.12759	0.6
271.16965	1.6
275.12744	0.7
303.15945	0.4
315.16016	9.8
316.16245	1.3
318.17722	0.2
351.23251	0.3
355.19116	0.4
379.26318	0.5
383.22379	0.5
395.22318	2.8
396.22559	0.5
397.23914	0.4
409.23779	0.3
423.25342	3.4
424.25583	1.0
437.27023	0.7
438.27481	0.5
463.35895	2.7
464.36115	0.5
507.34772	100.0
508.35110	22.9
528.37482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01388	1.5
61.98824	0.9
69.71301	0.4
69.71642	1.8
71.01363	0.5
89.02462	0.4
91.04014	1.3
93.03442	0.3
97.02990	0.3
98.20612	0.3
99.08204	0.3
99.91006	0.2
101.06097	2.1
108.72114	0.2
109.02982	0.5
109.06635	0.7
111.04528	0.9
111.08154	0.4
117.03484	18.0
118.03743	0.6
119.05040	10.4
120.05381	0.4
121.02962	2.4
121.06617	0.3
122.03769	0.3
123.04543	0.8
125.06062	1.5
133.02969	0.6
137.06108	0.4
139.07663	1.2
141.12863	0.2
145.02971	100.0
146.03308	5.5
162.03261	0.4
163.04024	5.4
175.11241	0.3
195.06656	0.4
197.08235	0.3
203.10760	0.3
207.10158	0.2
213.07701	0.4
215.10480	0.2
225.11317	0.3
235.09798	0.3
253.10602	0.3
261.14935	3.1
262.15213	0.4
269.21228	0.6
287.22256	10.4
288.22729	1.0
289.12061	0.3
297.13477	0.3
301.18167	0.8
319.19202	0.4
335.53000	0.3
347.25864	6.1
348.26431	0.8
371.26010	0.7
415.24899	22.4
416.25235	4.2
433.19958	0.6
433.21112	0.3
433.25958	15.5
434.26205	2.6
507.29785	47.4
508.30161	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	507.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15165	0.3
53.46702	0.3
57.03441	1.4
59.01372	1.8
59.53921	0.3
61.98838	1.6
71.01374	0.4
87.04520	0.5
89.02460	0.7
90.66105	0.3
91.04011	1.1
93.03447	0.4
95.05048	0.8
96.00442	0.4
97.06631	0.5
98.19832	0.8
99.08168	0.5
101.06100	3.8
107.05112	0.4
109.02969	0.7
109.06599	1.0
111.04525	1.2
113.02459	0.4
113.06096	0.3
117.03483	19.2
118.03797	0.9
119.05051	11.0
119.05911	0.6
120.05405	0.6
120.83806	0.3
121.02970	3.0
121.06588	0.6
123.04545	1.1
124.05310	0.5
125.06102	1.6
133.02979	0.5
137.06104	0.4
137.09750	0.4
139.07678	1.8
139.75708	0.3
143.07182	0.5
145.02975	100.0
146.03311	5.4
161.09729	0.4
162.03294	0.3
163.04041	5.9
165.05437	0.3
166.06297	0.4
175.11313	0.4
179.10828	0.4
180.44733	0.3
183.57248	0.3
195.06674	0.6
203.10789	0.9
207.10474	0.4
209.11926	0.5
218.09491	0.3
225.11359	0.8
229.50658	0.4
230.82225	0.3
235.09833	0.4
243.13876	0.6
261.14972	6.8
262.15314	0.7
264.98172	0.4
269.21112	0.5
287.22278	9.4
288.22662	0.6
301.15054	0.4
301.18033	2.0
319.19312	1.0
347.25922	7.0
348.26355	0.7
371.26105	0.9
415.24921	21.5
416.25299	3.5
416.30151	0.4
433.25958	16.3
434.26233	2.2
437.39282	0.3
461.25119	0.3
475.23654	0.5
507.29871	50.9
508.30264	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	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	27.1
58.63006	1.6
59.01381	83.2
61.98828	28.6
68.99815	9.2
69.03460	3.0
71.05023	4.4
78.95902	2.1
81.03458	2.3
83.05037	3.1
85.02974	12.9
85.06590	2.3
87.04505	2.0
93.03429	1.7
95.05050	3.6
95.89378	1.5
97.06603	2.1
99.08172	6.2
101.06119	9.8
101.06660	1.6
107.05003	2.2
109.02994	3.7
109.06622	3.2
111.04527	5.7
111.08150	5.3
113.06083	3.3
115.07641	2.6
121.06615	4.0
123.04530	4.6
123.08199	4.5
125.06104	100.0
126.06428	4.0
127.07681	11.6
133.06685	1.9
135.85080	1.8
137.02496	2.2
137.06071	3.7
137.09718	5.9
139.04037	10.4
139.07706	3.1
141.09280	8.9
141.15071	1.6
149.06152	2.3
149.09724	1.8
151.03999	3.9
165.05576	2.7
165.12901	10.4
166.02699	3.2
167.07103	2.3
178.09967	2.1
179.07124	5.1
179.10800	2.4
181.12364	21.5
191.10745	4.2
193.08685	25.1
194.09018	2.0
195.10255	8.0
207.10239	5.9
209.08356	4.1
209.11841	43.0
210.12144	3.1
211.17047	28.5
212.17383	3.0
214.04745	1.8
219.06636	3.6
219.10251	2.9
221.08237	10.8
221.11835	2.1
222.08952	8.6
223.09721	7.4
226.08467	6.5
229.45273	2.3
233.08234	2.4
233.11839	2.9
235.09808	17.0
237.14973	4.3
238.15547	2.2
247.13271	3.0
249.11293	4.7
250.12086	2.1
253.10799	65.5
254.11119	5.3
263.12802	3.8
265.14450	3.7
277.10831	11.4
277.14145	3.2
278.11496	2.8
281.13837	2.9
289.14252	2.1
289.21811	7.4
293.13919	13.8
303.16272	2.6
303.19641	2.8
305.13965	7.3
323.22458	8.2
333.13632	2.5
333.17151	19.3
334.17355	3.1
335.18625	5.0
345.20728	3.5
347.14838	2.1
359.22626	2.4
361.20322	3.6
363.21884	2.4
371.18335	1.8
375.18240	8.7
376.18469	2.1
387.21786	8.2
388.22504	4.8
389.19684	24.7
390.19894	4.7
403.21039	2.8
403.28412	8.7
404.22180	2.5
417.19241	5.9
443.20633	4.1
475.23251	4.0
507.25983	47.2
508.26227	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	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93512	1.2
57.03449	11.1
59.01392	2.4
61.98833	4.1
64.61944	1.2
67.90151	1.2
68.99826	2.5
69.03423	1.5
71.01421	2.0
71.05020	6.5
71.31094	2.9
72.99311	1.3
73.02955	2.0
78.95927	3.5
79.05563	1.6
83.05039	2.7
85.02954	2.7
95.05058	3.5
97.02982	2.8
97.06602	3.8
99.04552	2.2
99.08182	5.7
101.06101	90.3
102.06425	2.2
107.05057	2.4
108.52099	1.6
109.02998	4.5
109.06621	2.8
111.00920	1.7
111.04512	2.0
115.07717	1.3
120.05860	1.4
121.06633	1.5
123.04617	1.4
123.08185	2.1
124.01676	5.0
125.02480	6.6
125.06105	100.0
126.06451	6.6
127.07663	2.7
129.05594	1.8
135.08185	15.2
137.02469	81.1
137.09724	2.4
138.02759	2.9
139.04048	2.8
139.07675	3.4
139.11278	3.0
141.01964	4.9
141.09261	4.1
143.07187	2.1
144.06079	1.1
147.08223	1.2
151.04057	2.1
151.07675	1.3
152.99600	5.8
153.01968	3.1
153.09259	3.3
157.08684	1.1
161.06035	1.5
165.01971	3.3
165.05635	1.5
165.09238	2.3
166.02766	3.3
167.03491	4.5
167.10805	6.9
169.08687	1.1
179.03502	4.6
179.07126	3.8
179.10794	2.8
180.04272	2.4
181.08807	1.7
191.07234	2.2
193.05148	1.8
193.08737	4.2
195.06697	2.6
197.08234	1.9
197.11751	1.6
205.08702	1.9
207.06590	1.3
207.10326	2.5
209.08176	8.8
219.10220	2.7
221.08180	2.1
221.15442	1.6
223.09731	4.5
223.17012	1.5
225.11374	3.6
233.08176	1.9
235.09750	10.0
247.09816	2.2
247.13461	2.0
251.09288	7.9
251.16464	2.5
261.11319	2.9
261.14798	1.9
262.12112	2.3
263.09271	13.4
263.12979	2.0
264.09970	6.0
265.14514	2.3
267.12277	1.8
273.18524	1.7
277.10764	1.6
277.14484	4.3
279.12943	2.4
279.16089	9.0
279.23279	44.9
280.23691	4.4
289.10776	1.9
293.13943	24.7
294.14627	19.5
295.15005	2.0
299.11472	2.5
303.12451	1.4
303.15970	2.2
305.13919	3.5
308.12650	3.1
315.16232	1.3
319.19083	2.4
321.13443	87.9
322.14114	41.0
323.14612	4.2
335.18539	2.3
336.12119	5.1
336.15820	9.5
337.16406	8.3
345.20761	1.9
349.16345	1.3
359.18610	12.1
360.18933	2.3
363.21893	8.5
364.22229	1.2
373.20193	5.7
377.19766	3.0
381.19168	7.5
383.17218	2.5
387.22202	1.4
389.19525	2.5
390.20236	3.0
391.21265	86.4
392.21649	12.6
405.22983	93.1
406.23444	15.4
415.21524	1.7
430.23547	1.4
461.25403	7.8
473.25479	4.4
475.27127	59.3
476.27478	11.2
507.30017	72.1
508.30380	12.7
522.68005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98825	1.9
67.34314	0.3
71.05020	0.3
71.28038	0.6
72.88280	0.3
72.99308	0.8
78.95914	9.2
85.02953	0.5
88.16435	0.3
89.89278	0.3
95.05049	0.9
96.97004	0.8
99.08181	0.5
101.06105	1.7
115.07714	0.6
125.06106	3.6
137.02481	0.3
137.09756	0.3
138.79524	0.3
139.07706	0.4
141.09236	1.2
152.99608	13.9
155.10892	0.4
161.02429	0.3
161.31984	0.3
165.09183	0.7
171.00667	1.4
211.17076	0.5
221.08228	0.4
223.09756	0.4
223.44159	0.3
227.03259	2.6
239.16469	0.8
245.04201	1.9
247.09537	0.4
253.72711	0.3
261.22293	0.5
279.23285	100.0
280.23648	12.1
281.24847	0.6
282.25311	1.5
320.70688	0.4
507.27228	33.5
508.27481	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	507.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
55.46214	1.7
57.03447	49.2
67.01884	2.7
68.99821	7.4
69.03438	3.9
69.58511	2.6
69.58923	15.2
71.05018	37.2
79.05539	3.7
81.03458	3.2
83.05038	12.9
85.02966	5.1
93.03472	2.7
93.07140	2.6
95.01404	1.9
95.05047	24.5
97.02969	5.8
97.06589	15.3
98.19862	2.7
99.08170	100.0
100.08498	4.3
101.06098	39.6
107.05037	11.8
108.02225	2.9
109.02963	12.9
109.06602	8.1
111.08177	8.8
118.39700	1.8
121.02940	2.5
121.06625	6.3
122.03763	3.5
123.04571	13.0
123.08171	4.4
125.06103	85.1
126.06429	5.6
127.07668	4.1
133.06589	4.2
135.04515	2.4
135.08200	18.8
136.05339	2.0
137.02515	2.5
137.06107	8.0
137.09753	13.1
138.47678	1.8
147.08153	2.2
149.06081	3.7
149.09758	2.8
151.07693	2.7
151.11292	7.3
153.09221	4.5
155.10852	2.1
158.58142	1.8
161.09715	4.8
163.07617	4.3
163.11316	5.5
164.08429	2.5
165.05627	2.8
165.09251	4.2
165.12886	5.5
167.10843	3.1
177.05637	3.4
177.09218	4.9
179.07169	17.2
179.10800	58.6
180.11165	4.5
181.08777	2.3
181.12369	4.3
187.07555	2.4
187.11284	2.4
189.09196	5.9
191.10849	4.0
192.07741	2.1
193.08740	17.3
194.09021	2.7
195.10274	7.4
205.08679	7.0
205.12373	7.9
206.09445	3.0
207.10287	56.9
207.13850	2.1
208.10590	5.1
209.11824	26.9
215.10841	2.0
219.10277	6.2
219.13870	15.8
221.11835	8.8
221.15375	4.1
223.13336	3.8
226.08427	8.5
231.10304	3.2
231.13824	2.5
233.11748	12.3
234.12570	2.1
235.09770	3.3
237.14984	11.2
247.13419	4.2
249.11330	11.6
249.14897	4.6
253.10767	10.1
261.11298	5.7
263.12888	6.6
265.10706	3.2
275.12885	3.3
277.14462	6.1
289.14590	2.8
290.19125	2.8
291.16107	9.3
305.17648	28.9
306.17932	3.8
307.19250	19.9
317.13910	2.7
319.19220	2.1
331.19220	2.6
333.17001	3.9
347.18701	10.7
351.18103	12.6
352.18390	2.4
361.20148	2.5
373.20407	4.3
375.18027	2.3
387.21756	7.2
401.19598	2.8
415.21121	5.8
429.26260	3.0
431.24365	69.4
432.24768	11.6
433.54895	2.2
441.12909	2.1
443.20471	3.0
445.25797	5.0
457.26120	4.4
473.25552	15.8
474.25687	4.6
475.23132	14.8
476.23724	4.0
507.25891	59.5
508.26352	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	507.1887
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.03584	0.4
57.03439	0.6
57.36445	0.4
59.01373	1.3
60.49157	0.4
61.98825	1.5
67.67648	0.4
70.73825	1.4
85.02977	0.9
95.01401	2.5
101.02435	0.4
101.06101	0.7
108.02189	12.8
109.03033	0.5
110.00126	1.5
111.00864	0.6
113.02431	0.6
123.00903	18.4
123.04533	7.9
124.01681	91.0
125.01968	3.5
125.06147	0.7
135.04512	1.0
136.01682	3.2
137.02464	3.6
138.03236	1.8
139.04033	70.5
140.04346	3.3
140.23030	0.4
149.02478	2.4
150.06882	0.6
151.00325	1.1
152.01176	9.0
153.01857	0.5
161.06068	1.2
162.06880	0.9
163.04060	2.4
163.07645	1.5
164.01157	0.8
164.04659	0.4
174.03183	0.5
174.06924	0.4
177.05550	1.2
178.06349	1.7
179.07150	26.5
180.07510	1.9
189.05573	4.0
190.06284	1.4
191.03688	0.5
191.07155	6.2
192.07932	10.9
193.08522	1.0
197.08315	0.7
205.05060	1.1
205.08667	2.8
206.05862	19.2
207.06638	76.8
207.10205	20.6
208.06984	6.3
208.10556	1.4
221.08197	12.8
222.08827	2.8
223.09731	0.7
286.08612	0.5
299.01978	1.2
300.02185	1.9
301.02493	2.6
301.10843	0.9
302.02936	0.5
329.10324	9.0
330.11066	18.6
331.11255	2.1
343.08261	3.2
344.08597	3.5
345.09070	7.6
345.13409	100.0
346.13794	12.4
369.11856	0.9
384.14362	2.5
385.40439	0.5
386.84604	0.4
423.20108	0.6
492.16467	6.4
493.16779	1.4
507.18881	69.0
507.25629	4.8
508.19159	12.9
508.26303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2598
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.05688	0.6
53.30021	0.6
57.03216	0.7
57.03450	7.4
57.48845	0.6
61.98820	0.8
68.99823	2.5
69.57195	3.4
69.57619	2.4
71.05012	1.5
81.03453	1.7
83.05033	2.2
85.02950	0.7
85.78165	0.6
95.05048	3.0
97.06621	2.9
99.08169	1.8
101.06098	4.2
107.05040	2.1
109.02953	0.9
109.06617	6.0
121.06618	3.5
123.04543	2.0
123.08205	3.1
125.06104	47.0
125.09645	0.7
126.06435	1.3
127.07684	3.0
135.08188	1.9
137.06085	1.9
137.09743	1.3
139.07642	1.8
147.04544	0.9
149.06152	1.5
149.09750	0.8
151.04010	1.0
151.11249	0.9
153.09212	2.4
153.12917	0.8
155.07114	1.4
161.09767	1.5
163.07605	1.5
163.11255	0.9
165.09218	1.1
167.10878	0.8
175.07680	1.1
175.11322	1.0
177.05551	0.7
177.09218	1.8
179.07178	2.2
179.10779	5.0
181.08733	5.2
189.09296	0.7
189.12698	0.8
191.10744	1.4
193.08702	8.4
194.09222	0.8
195.10327	1.6
203.14337	1.0
205.08696	1.3
205.12402	0.8
207.10301	3.8
207.49725	0.6
209.11818	3.7
211.09760	1.1
215.57599	0.7
219.10352	1.1
219.13911	1.5
220.11021	2.2
221.08372	0.8
221.11832	1.4
226.08643	0.6
231.13905	1.2
233.08162	1.1
233.11684	1.5
235.09761	3.6
236.10292	0.8
245.11847	0.7
245.15398	1.5
247.09676	1.6
247.13371	7.1
248.13988	1.0
249.11389	2.8
249.14958	0.9
259.09753	1.8
259.13400	1.2
259.17157	0.7
261.11334	5.6
261.14935	0.9
262.12125	0.7
265.14456	1.3
275.12839	2.0
277.11063	1.0
287.12842	0.6
289.11050	1.4
289.14478	2.7
301.14273	0.7
302.15527	0.8
303.12512	2.6
303.15875	1.2
305.14142	1.2
317.13989	6.0
317.17365	1.2
319.15564	0.8
319.19073	1.0
333.17242	1.4
334.17261	0.7
335.18506	0.8
336.15616	0.7
347.19000	0.9
351.18463	0.8
359.18610	1.1
373.16339	0.9
375.18271	5.2
386.20798	0.7
387.21814	2.3
389.19577	0.8
401.19656	2.8
402.20032	0.7
415.21255	6.4
416.21902	1.3
430.23532	3.3
443.20764	3.4
444.21338	1.2
445.22278	1.1
455.24326	1.5
457.26163	12.2
458.26385	2.1
473.25452	53.6
474.25797	9.2
475.23370	28.9
476.23605	3.6
507.25992	100.0
508.26334	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	507.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00561	1.1
59.01382	86.3
60.01727	0.9
61.98830	5.1
69.47648	8.7
71.01390	7.1
71.05062	0.7
72.99272	1.0
73.02985	1.9
75.00888	1.4
81.57057	0.8
83.01407	0.9
85.02951	3.1
87.00900	1.3
87.65992	0.8
89.02463	3.6
89.80548	0.8
93.03472	6.9
98.19875	1.8
99.00858	0.9
101.02463	2.4
109.03045	0.8
113.02479	2.8
114.48598	0.7
119.05029	4.9
120.99669	0.9
121.02982	2.2
122.03774	2.3
125.02458	1.0
132.04637	1.3
133.05460	1.1
133.06590	1.5
135.04599	1.0
145.06606	3.2
149.06129	7.4
152.03561	27.6
153.03926	13.9
159.08173	4.7
161.04678	2.3
161.06046	0.9
169.06622	5.3
171.08122	1.3
182.07384	9.9
183.08058	2.6
185.09770	2.2
191.05618	2.1
195.08171	1.8
196.08861	1.5
197.09735	93.9
198.10162	11.1
209.04659	0.9
211.11317	11.4
212.11934	1.9
213.12862	48.3
214.08730	1.6
214.13182	3.7
224.39723	0.8
227.10817	4.3
240.17598	0.9
242.20793	0.9
245.11913	2.2
257.09320	8.4
257.11807	88.9
258.09677	1.7
258.12143	8.0
273.85449	1.0
279.50854	0.8
283.10828	1.3
301.10696	5.1
311.09137	0.8
312.10089	1.0
319.13974	1.5
327.09363	1.6
327.12854	1.8
345.10867	7.7
345.15372	2.3
346.11108	1.1
359.35007	1.0
419.17258	1.7
445.16901	0.9
447.22263	1.1
463.16095	100.0
464.16412	14.6
477.18036	1.7
489.17789	1.2
507.15219	7.9
507.25616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54748	0.3
51.14369	0.3
59.01314	2.7
61.98756	0.8
64.06768	0.2
66.37585	0.3
71.01382	1.8
71.71637	0.3
71.72036	0.3
72.99255	0.3
73.64838	0.3
75.00824	0.5
75.84463	0.3
84.04509	0.5
85.02899	0.5
87.00829	0.3
89.02373	1.3
90.02229	0.3
95.03696	0.9
101.02364	1.0
104.05025	0.3
106.06549	1.3
106.07214	0.3
112.04052	0.5
113.02413	0.7
120.04491	0.3
121.02868	0.4
122.06136	1.6
124.07706	3.7
125.02412	0.3
132.04575	21.4
133.05373	12.1
134.06169	2.9
138.03113	0.3
148.03986	0.8
150.05540	1.2
165.04329	12.7
166.04607	0.6
176.03505	0.8
176.07104	0.8
177.04332	3.0
178.05003	1.3
178.47627	0.3
186.09238	2.1
187.08717	0.3
191.05525	0.5
198.09193	0.6
209.01549	0.3
209.03293	3.9
212.10876	0.4
213.06721	1.4
214.12387	2.9
215.11858	4.4
225.06436	0.4
226.07426	0.7
227.08176	1.0
229.09792	3.8
240.08679	0.8
240.10320	1.4
241.09798	3.1
255.11436	1.8
257.12955	18.0
258.13361	1.4
265.09952	0.4
272.03232	1.0
272.07968	0.5
273.08722	0.7
283.10895	12.3
284.11032	0.9
301.11929	10.8
302.12186	1.2
312.09921	0.3
315.12442	0.4
327.09692	2.3
345.10925	100.0
346.11234	11.5
369.11029	0.7
386.23386	0.3
387.12143	1.6
388.12607	0.3
411.12186	0.4
417.12961	0.4
447.14041	1.1
507.16394	9.8
507.22177	0.4
508.16876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49224	2.7
55.61380	3.3
57.03440	4.5
59.01383	22.9
60.99293	3.8
61.98837	44.2
66.65749	3.2
68.03024	2.7
71.01391	15.9
71.05238	4.9
71.05590	5.4
73.02944	5.7
75.00880	6.1
85.02955	5.6
87.00894	3.4
88.98817	11.5
89.02448	6.7
96.96039	5.7
101.02470	12.0
102.45547	3.0
113.02476	2.8
116.92879	6.4
119.03496	2.7
121.02975	2.9
123.00871	3.1
125.02450	5.6
134.98880	3.3
137.02457	3.0
151.00313	4.4
161.04565	3.1
169.12419	2.8
181.04951	2.9
183.13954	2.8
191.05568	5.7
201.11290	3.3
213.11429	6.0
227.03598	5.5
228.04285	7.9
242.02231	7.5
255.02946	11.3
256.03757	56.5
257.04303	11.2
258.01706	5.1
261.03992	3.1
267.02972	11.1
271.02527	14.6
272.03027	3.3
273.03967	15.3
283.02585	7.8
283.09155	3.1
283.11728	13.7
285.04077	37.7
286.04385	7.9
300.02744	11.4
301.03412	9.9
327.09094	3.6
327.21912	3.5
344.08740	8.5
345.05899	5.8
387.11014	5.8
417.11850	4.9
445.07681	12.9
477.13870	4.1
507.14789	100.0
507.27280	56.4
508.15353	17.3
508.27966	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	505.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03445	6.5
58.00591	1.0
59.01382	23.8
60.01698	0.4
61.98833	5.4
62.73354	0.3
65.39458	0.3
67.01879	0.5
69.03474	0.9
70.26885	1.8
71.01386	41.4
71.05035	0.7
72.01728	0.8
72.99306	2.3
73.02953	13.7
75.00886	0.8
79.01917	0.4
81.03487	0.5
83.01398	8.9
83.05036	0.9
84.01685	0.4
85.02961	21.4
86.00105	1.5
86.03289	0.7
87.00880	2.4
88.98828	1.1
89.02466	4.9
93.03487	1.4
93.07131	0.8
95.01402	4.0
97.02965	2.0
97.06582	0.4
99.00883	6.1
99.04532	3.1
99.92599	14.5
99.93247	0.8
100.92622	1.2
100.93372	0.9
101.02457	30.6
101.06111	0.4
102.02818	0.8
109.02982	0.9
109.06641	0.5
111.00893	3.6
111.04589	0.5
111.08065	0.4
113.02467	16.5
115.92095	17.8
116.92094	1.3
116.92899	2.2
117.43767	0.4
119.03551	1.6
121.03001	0.4
123.04581	0.3
125.02464	3.6
125.06098	1.6
129.02010	1.0
133.02997	0.9
135.04530	0.8
141.02020	0.5
143.03546	1.1
145.02992	0.4
151.00374	0.4
151.04079	0.5
151.11320	0.4
159.03047	3.9
159.04350	0.7
161.04584	11.2
172.08191	0.5
173.04597	1.3
173.06003	0.5
174.05000	0.5
177.01842	0.4
177.09209	0.5
179.03531	1.4
179.05617	0.4
185.15678	0.4
187.04004	0.5
191.05640	5.6
192.06030	1.3
197.11858	0.5
200.01231	17.0
209.11858	4.2
210.12209	0.6
211.13475	0.8
213.18591	1.1
219.06691	0.6
227.03485	0.4
227.12952	0.6
233.08217	0.9
233.11880	0.6
255.03156	0.4
258.01660	0.7
259.02469	1.9
271.02417	1.1
272.03232	0.9
273.04074	1.1
274.01254	3.0
274.03873	0.5
277.10977	0.5
279.23376	1.3
281.10489	0.7
281.60477	0.5
283.02530	0.5
283.13394	0.8
287.02002	5.2
288.02533	0.9
295.26596	0.4
297.24298	0.4
297.83853	0.5
299.01987	22.3
300.02408	2.5
305.08875	0.5
309.15057	0.5
309.20758	0.6
313.18292	0.7
317.17932	0.6
325.07220	0.8
327.15878	0.5
328.16345	0.5
331.15451	0.8
331.19156	0.8
341.06711	0.8
342.07428	5.0
343.08173	8.4
343.28522	8.7
344.08420	0.8
344.28891	1.4
363.18079	0.5
375.19293	0.8
375.23770	3.3
377.03430	0.7
385.09052	0.9
391.21307	1.3
398.12198	0.6
399.13077	0.9
399.65085	0.9
413.11115	0.4
417.13943	0.8
431.11612	1.3
432.12329	0.6
433.28314	0.4
447.20709	0.5
476.33121	0.4
487.33090	0.7
489.20474	0.9
489.70840	0.7
504.71088	1.3
505.13272	30.0
505.24658	10.4
505.33896	100.0
506.13684	6.1
506.25058	3.2
506.34204	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	506.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.61662	0.9
69.62064	3.1
107.24553	0.5
110.87975	0.5
181.88222	0.4
217.60277	0.5
322.34576	0.4
400.18024	0.5
443.28195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	86.0
70.47050	29.7
70.84727	7.6
90.72043	7.7
119.48074	7.5
146.30600	8.3
191.03467	10.8
194.19199	7.5
247.09798	38.5
391.08551	7.7
417.74664	7.5
443.27994	100.0
444.28137	11.9
507.30798	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	505.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53421	1.0
51.43752	1.0
57.03453	6.0
59.01377	19.8
61.98831	3.9
71.01371	1.0
71.71275	1.0
71.71696	0.9
78.95910	2.1
83.05011	1.7
85.02941	2.4
85.06606	6.2
87.04533	12.4
87.53170	1.1
89.69489	0.9
97.06595	1.8
99.08163	2.2
101.06113	2.9
109.06634	1.4
111.04504	1.9
120.86759	1.0
121.06634	1.7
123.08213	2.5
125.06055	5.2
133.42616	1.2
135.08170	1.0
137.09718	2.6
151.07649	3.1
152.99643	1.6
156.05374	1.1
159.08147	1.6
163.07597	1.1
165.09250	1.4
173.09694	1.8
175.11313	5.8
178.10080	1.2
191.05637	2.0
191.10814	3.3
192.04207	0.9
192.21075	0.9
193.12329	6.1
209.11841	1.2
227.14594	1.8
229.12277	1.7
230.13148	1.2
233.15443	2.5
234.22762	1.1
235.09743	1.2
243.33296	1.0
245.15437	4.1
247.13306	1.6
249.14951	2.0
255.59906	1.0
263.16537	13.8
264.16638	1.8
275.12964	1.2
275.16501	2.4
289.18198	1.3
307.79745	1.0
308.07010	1.0
315.19601	3.0
357.20685	1.4
368.42786	1.1
383.25858	1.5
401.27017	14.9
402.27277	3.3
445.25943	100.0
446.26245	19.7
460.26831	1.3
487.22830	1.5
505.15796	1.7
505.23544	9.9
506.24710	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	505.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97121	1.2
57.03456	2.0
59.01384	12.1
60.37452	1.3
61.35870	1.0
61.98834	9.4
69.71478	1.0
69.71816	9.1
71.05023	1.7
85.06569	5.8
87.04543	4.6
91.95786	1.1
95.05067	1.5
98.19789	2.1
109.02951	3.7
111.04535	12.3
113.06148	1.5
122.03761	5.2
123.08199	1.3
124.01601	1.2
125.02464	6.0
125.06096	1.4
128.16400	1.2
135.04553	3.2
135.08211	1.5
137.02527	2.5
141.05597	8.0
149.02458	10.7
149.06097	5.5
150.06909	5.7
151.00330	1.8
151.04008	2.2
151.11298	1.3
153.09232	1.3
161.06062	3.6
163.04024	1.6
166.06377	2.3
167.03510	1.9
169.05057	3.2
175.07657	2.7
176.08450	19.2
177.05569	12.6
177.09087	2.0
178.06433	2.2
179.07149	13.3
179.10794	1.8
180.07869	4.3
181.04904	1.9
186.66145	1.2
191.07162	2.6
192.07933	40.5
193.08464	2.4
194.05826	2.0
195.06602	19.1
195.10246	7.6
196.07077	1.3
197.11827	4.1
205.05072	31.2
206.05493	2.8
206.09523	3.2
219.06618	13.5
219.13931	1.7
220.07332	5.4
221.08116	1.3
221.15494	3.6
235.09715	2.2
242.54692	1.2
245.15446	11.2
246.12486	1.6
247.13306	4.5
249.14941	7.3
261.14911	36.2
262.15240	4.3
263.12897	4.0
265.14420	100.0
266.14822	9.5
275.16586	2.6
289.14429	42.0
290.14737	5.1
291.12421	17.7
292.12836	1.6
319.15436	4.8
321.16873	1.2
333.20691	1.9
343.15500	1.5
353.47226	1.3
387.21826	1.6
427.25122	1.9
445.25958	71.2
446.26276	13.1
455.03351	1.2
505.27759	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	505.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.8
59.01387	2.8
61.98836	3.0
68.99847	0.8
71.05035	2.6
71.72903	1.0
74.82435	0.6
78.95930	1.0
79.01913	1.7
80.52077	0.6
85.02969	1.0
85.06604	3.1
87.04544	3.2
95.05096	0.8
97.02979	0.7
97.06614	1.2
101.06118	0.9
107.05074	1.9
109.02991	1.4
111.04533	16.8
113.02470	0.6
121.06644	0.6
123.04544	3.5
123.08208	2.2
125.02480	2.2
125.06104	5.5
127.07700	3.7
128.90211	2.0
135.04604	0.9
137.02452	1.9
137.09782	1.2
138.03300	1.0
139.03998	0.8
139.07632	0.7
139.11430	0.7
141.09242	2.8
149.02472	1.0
151.04044	11.7
163.04050	0.7
163.07750	1.2
163.11301	0.8
165.01941	1.2
165.05521	0.9
165.09210	1.9
166.02747	2.4
177.01971	2.9
177.09270	2.1
177.12886	1.0
179.03526	2.0
179.07187	2.3
179.10866	0.7
180.04292	1.8
191.03645	0.6
191.07213	0.8
191.10837	2.3
193.05072	0.8
193.08698	4.7
195.06662	15.1
196.07030	0.7
203.07191	5.2
205.04996	1.3
205.08722	0.6
207.06607	6.4
208.07425	5.5
209.08232	6.2
209.15475	5.5
215.10785	0.6
217.12274	0.9
219.06662	4.4
219.10216	0.8
220.07402	2.0
221.08211	100.0
222.08824	15.4
223.09366	1.1
233.08221	14.5
233.11861	2.6
234.08691	1.5
235.09770	10.4
236.10214	1.5
237.07671	1.2
247.09753	1.4
247.13441	5.2
249.07887	1.0
249.11333	0.9
249.14934	1.0
250.08409	0.9
251.12828	1.6
252.06429	0.8
255.23210	0.9
260.10452	0.7
261.11331	4.1
261.14316	0.6
265.14456	15.8
266.14694	1.2
273.18677	0.8
277.10785	0.7
289.14490	1.0
303.12445	1.9
303.15836	0.9
305.17520	0.9
307.26331	1.7
308.26746	3.1
317.13919	2.9
318.14618	0.9
319.15543	7.1
320.16351	1.0
322.14185	4.1
333.13416	0.8
333.17072	3.9
337.20206	2.4
343.15604	1.0
361.16272	0.8
363.18112	2.8
375.17746	1.5
375.21793	2.7
376.18716	3.2
387.21835	2.8
389.19458	0.8
401.23367	1.1
429.22833	5.9
430.23209	1.2
431.24335	2.9
441.26599	0.9
443.28271	1.3
445.25925	16.0
446.26205	2.5
447.20056	1.5
459.27472	2.4
460.27716	0.8
469.26074	4.1
470.26129	1.0
487.27045	28.4
488.27380	5.3
505.28049	42.3
506.28403	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	505.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01376	3.5
59.93488	0.4
61.98837	3.5
70.29528	2.1
71.05017	1.5
73.02950	1.7
79.01892	0.5
79.46923	0.5
83.05019	0.8
85.06593	1.0
85.21842	0.4
87.04505	3.4
96.56010	0.5
97.06547	0.5
99.08155	1.1
100.24422	0.4
101.06082	1.2
107.05076	0.8
109.06556	0.6
111.04534	6.1
111.84951	0.5
117.05605	5.8
117.80412	0.4
121.06591	0.9
123.04511	1.9
123.08150	0.8
124.01688	0.6
124.31892	0.5
125.02498	0.9
125.06094	5.3
135.08240	0.7
137.02475	3.0
137.09729	0.6
138.03192	1.2
139.07610	0.5
139.11270	0.7
141.09244	0.8
147.08162	0.6
150.03374	0.5
151.02834	1.0
151.04025	12.4
152.04741	1.5
160.89226	1.1
163.04163	0.6
165.01938	0.9
165.05557	0.6
165.09201	0.8
166.02727	1.4
177.01964	1.0
177.09286	0.9
179.03522	2.1
179.07173	0.6
179.10812	0.7
180.04321	5.3
191.03450	0.5
191.10806	1.2
193.08681	1.3
195.06633	5.1
203.07187	2.1
206.09425	0.5
207.06583	2.0
207.10268	1.1
208.07321	2.3
209.08163	2.4
209.15547	1.0
217.08650	1.5
219.06586	1.1
220.07390	0.8
221.08195	40.7
222.08829	7.4
223.09712	1.9
223.16994	0.8
233.08205	3.1
233.11867	0.9
235.09753	50.4
236.10442	14.5
237.10934	0.7
247.09822	1.5
247.13461	1.0
248.10165	0.6
249.11209	3.4
261.11346	1.6
265.14404	5.3
266.14685	0.7
268.09604	1.3
270.02185	0.6
273.15131	0.6
275.12903	2.4
276.13599	0.8
289.14618	0.8
291.23059	0.7
292.12949	0.7
303.12439	4.4
304.12979	1.5
315.15918	1.2
317.13953	0.9
318.14673	0.6
319.12091	0.6
319.15659	2.5
320.16098	0.9
322.14224	2.2
333.17108	8.2
334.17618	1.3
337.20273	0.6
359.22333	1.5
361.20120	0.6
363.18146	1.5
373.20325	5.5
374.20721	1.5
376.18948	2.0
377.19626	1.8
387.21811	9.1
388.22046	1.8
427.24994	0.6
429.22769	1.8
431.24329	1.0
436.21030	1.5
443.28073	13.0
444.28336	2.5
445.26025	13.1
446.26358	2.0
459.27710	1.7
469.25894	1.5
473.25214	1.1
487.26981	8.0
488.08063	0.8
488.27603	1.1
505.28036	100.0
506.28384	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	505.1351
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
50.13556	0.1
51.18744	0.1
51.97530	0.1
59.01379	0.5
61.98825	0.6
71.29678	0.3
83.01400	0.2
111.98359	0.1
124.01675	0.4
125.02465	0.5
133.02989	0.2
151.00377	0.5
151.03987	0.2
159.04535	0.2
166.84874	0.1
174.03246	0.2
177.01935	0.2
181.30351	0.1
187.03976	0.2
189.01904	0.3
190.02664	0.2
191.05618	0.3
200.04697	0.1
203.03488	0.6
209.11729	0.2
211.13373	0.3
218.02255	0.2
230.02174	0.2
231.03011	0.6
232.03589	0.1
235.09767	0.3
243.02969	0.2
245.01047	0.2
246.01727	0.8
255.02930	0.8
255.98402	0.1
256.03665	0.3
257.01089	0.2
259.02405	0.6
260.03192	0.3
265.12848	0.1
271.02420	0.2
272.03308	0.4
274.01187	6.6
275.01636	0.5
275.30847	0.2
287.01971	5.3
287.05203	0.3
288.02722	2.1
289.03043	0.2
293.32996	0.1
297.07764	0.2
299.01981	39.9
300.02463	6.0
301.03226	0.3
310.04636	0.3
313.03537	0.4
323.05591	0.5
325.07156	1.2
327.05118	0.6
328.05573	0.3
341.06659	0.5
342.07486	3.9
343.08243	100.0
344.08578	12.8
345.13876	0.1
461.21756	0.3
505.13507	24.8
505.23706	0.7
506.13885	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	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.59781	0.3
57.03477	0.5
58.89785	0.3
59.01381	2.7
61.98830	2.5
67.10585	0.3
71.01430	0.5
71.05074	1.3
71.43750	0.9
78.95912	26.9
96.96963	2.4
101.06140	1.6
109.02950	0.4
111.04587	0.7
117.05635	0.7
122.26419	0.5
125.06074	2.1
135.08183	0.4
135.59258	0.4
137.02515	0.5
137.06125	0.5
137.09790	0.7
139.07693	0.6
150.98041	0.6
151.03999	2.0
152.04759	0.5
152.99611	43.3
154.00017	0.9
167.03557	0.7
171.00728	2.8
179.03560	0.7
180.04349	0.8
192.07887	0.5
205.05083	0.5
221.08215	1.2
227.03259	5.9
233.22664	0.6
235.09760	6.9
236.10402	2.1
245.04265	1.5
247.09822	0.5
249.11427	0.9
259.20639	1.0
261.14981	0.6
265.14404	1.2
275.20291	0.8
277.21725	100.0
278.22076	11.1
289.14407	0.8
290.22888	0.5
303.12363	1.0
333.17169	0.8
352.15625	0.5
359.22287	0.6
373.20139	1.3
375.21829	2.8
377.19476	0.4
387.21921	0.8
397.58295	0.4
413.20926	1.2
421.22195	0.7
443.27835	1.7
445.25815	2.1
505.25732	81.6
506.26080	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	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
69.94360	1.6
70.51636	0.3
71.01407	0.4
80.96493	0.4
83.01399	0.4
83.13216	0.3
83.80129	0.3
85.02944	0.6
93.03490	0.3
94.19118	0.3
101.02459	0.6
107.01446	0.5
113.11624	0.4
121.03003	0.3
125.02464	0.4
187.04057	1.0
191.05649	3.0
192.06012	0.8
199.03978	0.5
203.03539	1.2
209.11826	0.5
218.02138	0.3
227.03593	0.5
231.02954	1.6
235.68515	0.4
243.03073	0.4
246.01620	0.8
255.02951	2.1
256.03552	0.4
257.00854	0.5
259.02454	1.0
271.02591	0.7
272.03186	0.6
273.00500	0.5
274.01190	4.6
275.01718	0.8
283.13498	0.5
283.71036	0.3
287.01965	12.7
288.02603	2.5
298.01132	0.3
299.01978	87.0
300.02328	9.4
303.01498	0.8
309.03955	0.4
310.04907	0.7
313.03659	0.7
316.46268	0.3
323.05646	1.2
325.07230	3.0
327.05081	0.8
341.06638	1.2
342.07452	10.0
343.08228	49.8
344.08569	5.4
495.70563	0.4
503.81909	0.3
504.71188	1.0
505.13504	100.0
506.13852	19.1
521.54803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38787	0.3
57.03445	0.7
59.01388	0.9
62.32194	0.4
70.21215	2.1
70.21593	0.9
71.01385	1.0
88.33105	0.4
89.02436	0.7
99.04544	1.0
101.02461	0.7
125.02426	0.5
132.38922	0.4
148.05328	1.6
163.07689	1.5
164.83931	0.4
199.04077	0.6
201.05524	1.7
205.05128	1.2
217.05161	0.7
222.03528	0.5
227.03423	0.9
228.04218	0.5
228.50761	0.4
229.01428	1.7
229.05064	3.4
230.02293	0.7
231.02927	0.8
237.05901	0.7
240.04567	0.5
243.02989	16.7
244.03706	6.0
245.04462	1.7
254.02159	0.4
255.02858	0.5
255.06915	0.9
257.01019	1.1
257.04333	0.5
258.01675	2.2
260.73969	0.4
269.04623	0.8
271.02475	51.1
272.03223	42.3
272.06317	0.9
272.51498	0.4
273.04031	90.4
274.04355	8.9
274.07376	0.4
304.02295	2.2
307.06326	1.0
325.07257	2.5
342.07623	0.8
343.08258	18.5
344.08594	2.8
389.87271	0.4
417.12427	1.0
435.09326	14.3
436.09726	1.7
505.13522	100.0
506.13858	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	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87791	0.2
59.01366	0.4
61.98816	0.3
65.00328	0.1
65.22032	0.1
69.48715	1.1
71.01376	0.2
80.75584	0.1
88.98775	0.1
101.02390	0.2
108.64288	0.1
125.02451	0.1
133.02905	0.1
135.04495	0.1
157.06583	0.4
159.04512	0.5
163.03995	0.2
163.93695	0.1
165.01978	0.3
173.06104	0.6
175.04031	0.5
175.36443	0.2
177.05536	0.3
183.04550	0.3
185.06027	0.3
186.03140	0.3
187.03996	0.4
189.05464	0.2
200.04716	0.2
201.05568	2.9
202.05884	0.3
203.03558	0.6
205.05055	0.9
211.04062	0.1
214.02727	0.5
217.05087	0.8
227.03505	0.5
228.04265	0.2
229.05067	5.3
230.02217	0.9
230.05411	0.4
231.03003	1.0
243.02965	3.4
243.05432	0.1
244.03731	3.2
245.04451	1.3
255.02966	0.2
256.03778	0.2
257.04541	0.3
258.01672	2.5
259.02142	0.2
263.07205	0.1
269.04605	1.0
271.02460	3.1
272.03232	6.0
273.04019	100.0
274.04361	9.7
274.07474	0.2
287.05807	0.1
288.02536	0.1
304.02325	0.8
307.06155	0.7
315.04990	0.3
324.18115	0.1
325.07190	1.4
326.07550	0.2
343.08231	55.5
344.08560	7.4
385.09207	0.5
435.09241	0.3
487.12659	0.3
505.13519	11.9
506.13760	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
55.01865	0.9
57.03443	1.1
58.00598	1.2
59.01381	32.6
60.01720	0.6
61.98832	9.9
65.00322	0.4
69.84949	1.8
69.85358	0.9
71.01385	20.1
72.01714	0.6
72.99313	1.3
73.02950	4.3
75.00872	0.6
81.03454	0.4
83.01408	2.0
85.02957	7.2
87.00881	0.9
88.98818	1.7
89.02459	10.2
95.01395	2.0
97.02972	0.5
97.06583	0.6
98.20548	0.6
99.00877	1.7
99.20926	0.4
101.02458	12.4
102.02728	0.4
107.01357	0.6
108.34409	0.4
108.65279	0.4
113.02463	7.8
114.02875	0.6
119.03510	1.8
123.08246	0.5
125.02435	1.2
125.09710	1.0
127.11320	1.2
131.03525	6.6
135.08148	0.5
137.09746	0.5
141.09247	4.9
149.04572	2.7
151.00439	0.7
152.87956	0.4
153.09207	0.9
155.10803	0.9
159.03014	0.8
161.04582	4.2
165.09236	1.7
171.10339	2.0
191.05679	2.1
199.04036	0.9
201.11349	6.5
215.03502	0.7
229.01538	0.5
230.02295	0.8
235.07686	1.0
242.02258	2.1
243.02956	4.8
244.03714	3.3
245.19037	0.7
258.01740	1.8
263.07074	2.6
263.20093	2.5
265.05035	0.5
271.02521	1.8
272.03262	8.9
273.03647	1.1
279.06656	0.5
281.04605	0.6
281.21118	0.6
283.02512	7.7
284.03061	0.5
285.04083	1.3
289.18115	1.2
293.08508	0.5
295.02521	1.2
297.07825	1.1
301.03641	0.6
304.02127	1.1
307.06125	21.6
307.19147	3.1
308.06320	2.1
309.04129	1.3
310.04813	1.3
311.05273	0.6
313.07269	2.2
313.16586	12.2
314.16949	1.4
325.07193	44.9
325.20139	7.3
326.07489	6.0
326.20599	0.7
327.08713	10.1
328.09158	1.1
342.07486	1.9
343.08243	20.5
343.21277	48.3
343.54340	0.5
344.08633	2.2
344.21606	5.4
368.21201	0.5
373.22366	0.6
385.22415	1.2
445.20749	12.9
446.20908	2.4
470.53915	0.4
505.13538	100.0
505.26208	7.1
506.13837	18.8
506.26550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53872	0.3
59.01379	30.3
59.32049	0.3
60.01712	2.3
61.01811	0.8
61.98832	100.0
69.55874	1.7
69.56299	0.8
90.97129	0.3
115.88930	0.3
116.53269	0.3
132.98228	0.6
159.01433	0.4
159.03317	0.6
161.01222	0.3
174.99269	6.8
175.99620	1.1
177.96706	0.5
178.98546	1.1
201.02557	4.0
202.02705	3.4
202.98773	0.5
203.02301	4.5
204.00017	6.4
204.02815	1.0
205.00072	0.6
217.00307	25.6
218.00652	7.9
219.00809	2.1
219.97760	56.6
220.97729	0.7
220.99803	2.6
346.00760	0.5
359.01474	2.4
360.01688	7.6
361.01337	11.2
361.98660	29.4
362.99088	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	505.0984
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03447	0.3
59.01367	1.4
61.98843	0.3
63.02402	0.6
65.00321	1.2
69.47873	1.4
69.48281	0.6
71.01392	0.6
73.02945	0.3
83.01412	0.7
89.02469	0.6
90.79564	0.2
91.01920	0.3
93.03468	0.6
99.00872	0.2
99.86990	0.2
101.02452	0.4
107.01398	3.0
108.02174	1.7
109.02956	1.7
111.00919	0.3
113.02474	0.2
116.92879	0.4
121.02985	1.5
124.01693	0.5
125.02491	0.8
135.00928	0.9
137.02454	0.2
147.00919	0.3
148.01706	1.6
149.02472	0.2
149.04572	0.3
151.00388	10.5
152.00873	0.3
153.01924	0.2
159.04541	0.3
161.02361	0.3
163.00418	2.5
164.01181	0.8
165.01959	0.3
169.01445	0.7
171.04568	0.3
178.99890	5.0
183.04526	0.4
187.04050	0.5
190.99911	0.4
191.05528	0.4
192.00693	0.5
198.03273	0.3
198.99959	0.7
199.03961	1.2
201.01974	0.3
203.03497	0.7
211.03963	1.2
215.03535	1.0
216.04163	0.6
226.02740	2.1
227.03490	3.9
227.07040	0.2
228.04120	0.3
229.01439	0.3
229.05028	0.7
239.03537	0.3
242.02043	0.4
243.02988	13.4
244.03380	1.2
245.04538	1.0
254.02206	2.7
255.02979	30.2
256.03433	3.0
257.04633	0.4
262.02856	0.2
266.02145	0.5
267.02905	1.4
271.02463	63.8
272.02872	6.6
273.03940	1.1
283.02432	1.2
283.15732	0.3
284.03262	0.3
299.01968	1.5
300.02753	100.0
301.03452	44.0
302.03909	4.0
325.07126	0.5
343.04446	0.6
343.08246	1.2
343.11646	0.2
344.08478	0.3
355.09689	0.2
463.08911	3.2
464.09268	0.5
478.43921	0.3
505.09790	69.0
506.10162	12.5
506.67111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
58.00594	1.2
59.01377	22.1
61.98830	11.8
69.03451	1.9
69.71259	8.0
70.34154	1.0
71.01385	18.7
72.99310	19.3
73.02940	3.8
75.00869	8.6
79.05552	1.6
81.03464	1.6
83.01408	2.7
83.05035	18.0
83.70616	1.1
85.02959	4.8
87.00894	6.9
88.98811	3.1
89.02459	10.8
91.01895	2.4
96.96030	4.0
97.02926	2.2
99.00895	3.6
99.04499	1.3
99.92587	1.1
101.02438	6.6
102.31157	1.0
103.00369	1.7
104.10364	1.2
109.02978	1.3
111.00924	1.6
113.02425	3.9
113.82634	1.0
115.00376	3.9
116.92866	9.4
117.01919	2.0
119.03521	2.3
121.10237	4.5
123.04535	7.5
123.08172	7.1
124.04915	1.5
125.02477	3.3
131.03496	1.7
133.10313	1.1
135.04463	1.1
137.02405	2.4
147.08208	4.0
149.06036	1.6
154.36911	1.2
163.11302	7.2
165.09232	70.3
165.77679	1.1
166.09535	5.5
168.99594	3.5
170.00450	5.0
173.04521	1.2
173.09718	1.2
175.02492	8.7
175.11250	3.3
177.09128	1.8
179.05577	2.6
183.03026	1.5
186.06828	1.1
191.03526	1.5
191.05618	3.5
191.07158	29.8
192.07498	1.7
201.09216	2.9
205.08614	2.0
207.10266	1.9
209.08205	12.6
218.29379	1.2
219.10202	3.2
237.11656	1.0
240.04523	2.0
245.08224	1.9
255.06842	6.0
263.09244	16.8
264.09372	1.6
281.10303	100.0
282.10623	9.3
323.11380	2.1
327.09918	1.8
341.10291	1.9
413.14645	1.3
417.12302	9.7
443.15466	1.5
503.17691	84.2
504.18216	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	503.2649
Annotation	Striatin A
Peak:m/z	Relative Intensity
59.01380	100.0
60.01698	1.3
61.98801	1.9
71.72820	1.7
78.52168	1.2
83.05056	1.3
87.04525	2.0
90.85410	1.3
108.10400	1.3
111.04549	5.2
125.06144	1.6
129.71217	1.3
151.11287	2.0
169.05110	1.3
177.05559	2.2
185.11859	1.3
194.05920	1.6
195.06604	6.3
201.94405	1.3
205.05093	1.4
207.06696	1.8
209.08154	4.1
219.06523	1.6
221.08179	5.0
222.08490	2.1
223.06116	4.0
233.08070	1.5
235.09744	2.0
249.97153	1.6
279.16034	2.3
291.12405	3.9
301.14841	1.4
303.08734	1.9
303.12320	1.4
373.20346	1.8
432.15033	1.4
443.24387	42.8
444.24658	7.0
445.25916	3.0
503.26004	12.9
504.27304	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01374	3.3
61.98835	3.2
65.00326	1.0
69.03434	0.3
71.01385	2.7
71.72309	0.5
73.02953	1.2
74.00684	0.3
75.00883	0.3
81.03474	3.4
83.01391	1.4
85.02953	1.1
85.06586	1.2
87.04532	0.9
88.98837	0.4
89.02471	1.1
93.03473	0.3
95.05037	0.6
96.95999	0.3
96.96992	0.3
97.02969	0.8
99.00911	0.6
99.92598	0.9
101.02466	1.7
107.01376	0.3
109.02987	0.5
109.06602	2.5
111.04533	4.6
113.02458	1.0
113.06126	0.5
116.01808	0.2
116.92884	9.9
117.01978	1.6
117.92871	0.7
121.02971	0.4
122.03755	0.3
123.04525	0.4
125.02474	5.8
127.07671	0.7
128.03531	0.3
131.03534	0.6
133.06618	1.1
134.34354	0.2
136.05298	0.8
137.02470	0.8
139.03993	0.4
147.08195	0.2
149.02452	1.5
149.04593	0.3
151.00392	1.0
151.07672	33.8
152.01111	0.5
152.08014	1.9
153.05536	0.3
161.04564	1.0
161.06033	0.4
165.01938	0.3
165.05643	0.5
165.09190	0.4
166.02644	0.3
172.06931	0.2
173.04578	0.4
175.00421	0.5
177.05550	1.1
179.03595	0.2
179.07147	0.8
191.05592	0.6
191.07190	0.9
194.05908	0.5
195.06644	100.0
196.06976	6.4
196.08684	0.4
201.05531	1.5
207.06662	0.7
208.07297	0.4
209.08206	3.7
219.06638	19.3
220.07048	1.5
229.01430	0.9
237.07698	7.3
238.08012	0.5
249.07655	1.2
257.00992	0.5
261.07764	0.9
267.02939	0.2
285.00320	1.1
293.08167	0.2
297.04300	0.3
297.07687	0.9
311.15027	1.0
325.07199	0.4
332.40454	0.2
341.06720	1.1
341.19666	0.5
343.93695	0.3
371.20880	0.6
390.31970	0.3
443.19107	0.7
503.17804	48.1
503.24445	3.4
504.12131	0.4
504.18146	8.1
504.25378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1613
Annotation	Raffinose
Peak:m/z	Relative Intensity
57.03449	28.5
58.03770	0.4
59.01374	6.9
69.46365	0.7
69.46778	3.8
70.81844	0.5
71.01379	2.5
73.02950	0.9
73.58889	0.4
74.23723	0.4
85.02930	0.6
89.02460	0.8
93.03481	1.3
98.19907	1.0
99.00945	0.5
99.04531	40.1
100.04826	1.2
101.02454	13.9
108.02162	1.4
112.98820	1.1
113.02442	0.5
122.66544	0.5
123.04520	1.4
142.99878	2.0
143.03525	0.9
152.01155	2.1
153.35612	0.5
161.04576	100.0
162.04898	4.5
167.03487	5.7
173.00980	1.0
173.04544	2.5
179.05571	0.7
191.05638	3.1
217.50887	0.5
223.67171	0.5
310.83487	0.5
329.08585	1.2
365.50546	0.5
391.04288	0.6
484.84244	0.6
503.16446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1615
Annotation	Raffinose
Peak:m/z	Relative Intensity
51.90007	0.3
57.03450	26.1
58.03801	0.6
59.01385	7.2
70.72720	1.2
71.01376	1.3
73.02930	0.3
87.00868	0.4
89.02453	1.4
98.19957	0.4
99.04534	40.1
100.04908	1.7
101.02460	16.0
105.72205	0.4
108.02184	0.3
113.02422	0.6
117.01980	0.4
119.03499	0.4
122.03790	0.5
122.98257	0.3
123.04552	0.4
135.04579	0.4
143.03517	1.5
161.04579	100.0
162.04904	4.3
167.03499	0.9
173.04662	0.4
179.05637	0.9
191.05634	1.8
285.99490	0.3
329.08871	0.6
330.34546	0.3
348.75369	0.3
353.38385	0.3
423.23941	0.3
433.43149	0.4
452.41144	0.4
503.16248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
58.00601	0.6
59.01380	6.6
60.99308	14.0
61.91706	0.3
61.98835	8.2
71.01388	3.6
71.72124	0.5
73.02944	1.2
75.00863	0.4
81.03492	0.5
83.01398	2.0
84.51283	0.4
85.02962	1.7
87.00890	0.7
88.98815	100.0
89.02445	3.0
89.99137	1.2
93.03484	0.8
96.96027	0.5
97.06574	0.4
101.02468	2.6
105.03498	0.3
106.04221	0.3
107.08678	0.6
109.03003	1.9
109.06562	0.5
109.75741	0.3
113.02456	1.9
116.92857	0.8
121.02956	2.9
121.06592	0.8
122.03304	0.6
123.04530	1.1
125.02463	25.1
125.06081	0.9
125.09718	1.0
126.02803	0.9
127.11290	1.4
133.02979	0.6
133.06650	0.5
139.04068	0.7
139.07704	0.5
149.02470	2.7
149.04530	0.5
151.00391	0.4
151.04070	0.7
155.10725	0.6
161.04567	1.0
163.07675	0.6
167.03526	1.5
171.10313	3.4
173.04582	1.0
177.01976	0.5
179.05698	0.4
183.10258	0.4
189.02002	0.7
191.03545	0.5
191.05634	1.1
199.09717	0.4
201.11339	11.5
202.11679	0.8
215.03540	0.4
217.01372	0.9
233.08092	0.5
242.02115	0.6
243.02974	1.0
251.09209	2.3
255.02879	0.9
261.18591	2.0
262.18979	0.5
275.09155	0.6
279.19617	2.3
287.07492	0.5
297.04050	3.0
297.20844	2.9
308.84717	0.4
312.06271	0.8
323.18610	5.3
324.19116	0.6
325.03574	1.3
329.08435	0.5
340.05914	1.1
341.06818	1.9
341.19708	28.5
342.20038	3.3
371.20706	0.7
383.20615	1.2
393.06174	1.3
413.14551	11.8
414.14853	1.7
449.14050	0.4
467.16046	0.5
503.10941	8.1
503.24979	4.0
504.11475	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	501.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85179	0.2
59.01382	0.6
67.01875	0.3
71.72758	0.3
85.06625	0.7
107.05057	0.3
109.06590	0.5
111.04526	4.8
114.83136	0.2
131.66298	0.2
133.06604	0.6
135.93356	0.2
137.09760	0.8
143.81851	0.2
148.65735	0.2
149.02486	0.3
151.07664	0.4
152.01207	0.4
161.09729	0.3
163.07692	0.3
175.11319	0.4
175.59018	0.2
177.05678	0.3
177.09213	1.1
177.12892	0.4
191.03542	0.4
193.05087	0.6
193.08632	0.4
194.05832	0.7
195.06618	3.4
203.03568	0.3
205.05051	0.9
205.08757	0.9
207.06624	4.2
207.10356	0.3
208.07335	0.8
217.12332	0.5
219.06671	2.5
219.10284	1.7
219.13745	0.5
220.07268	0.8
221.08185	4.0
222.08688	0.6
229.08655	0.4
231.06622	0.8
231.13858	0.5
233.08186	3.8
235.09662	0.5
243.13980	0.8
245.08208	0.7
245.15417	1.6
245.19131	0.3
247.09749	2.0
247.13370	0.4
257.11804	0.5
261.11295	5.6
261.14575	0.3
261.15085	0.3
262.11853	1.0
263.12872	13.0
264.13208	1.1
271.13345	0.9
275.12891	16.1
276.13318	2.3
277.11377	0.4
277.14417	5.6
278.14832	0.8
289.14450	30.0
290.14798	3.3
291.16147	0.3
293.13919	0.6
294.14694	2.2
301.14206	0.4
305.14032	0.7
307.15454	0.8
315.15906	0.4
315.23282	2.4
316.23508	0.3
319.15506	7.2
320.15857	0.8
333.16858	0.4
353.17725	0.3
361.20209	2.6
362.20920	3.3
363.21478	0.4
364.19073	0.5
371.18600	2.6
372.19037	0.4
377.19720	2.8
377.74387	0.2
389.19672	22.1
390.20050	3.3
395.88605	0.3
399.21637	0.6
413.23355	0.3
414.24127	0.4
417.22760	1.2
431.24738	0.7
432.25031	2.2
433.25436	0.8
443.28082	0.8
501.32202	100.0
502.32544	21.4
502.40289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.322
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03434	0.9
64.69579	0.3
69.52814	3.4
78.20820	0.3
85.06619	0.4
109.06643	0.9
111.04550	3.8
116.21046	0.3
133.06610	0.4
137.02422	0.6
139.79808	0.4
141.53784	0.4
166.02832	0.5
169.99924	0.3
171.05917	0.3
177.09200	0.4
177.12874	0.9
193.04964	0.5
194.05789	0.9
203.07254	0.3
205.08748	1.4
207.06633	6.7
208.07417	2.0
209.08034	0.4
218.79256	0.3
219.06630	1.6
219.10214	0.7
221.08247	1.9
229.12370	0.6
231.06685	0.5
231.14055	0.5
233.08209	4.5
234.08652	0.6
245.15439	0.5
246.08939	0.5
247.13399	0.8
257.11896	1.0
261.11346	4.6
262.11981	0.6
263.12799	1.2
275.12888	24.2
276.13300	3.1
287.13095	0.4
289.14435	10.8
289.21646	0.7
290.14865	1.5
291.16010	0.3
294.14908	0.4
305.13934	1.7
307.15479	1.6
313.14523	0.4
317.17627	0.9
319.15494	3.4
331.15652	0.7
355.19244	1.3
361.20102	0.5
364.18854	1.2
371.18710	1.1
373.20193	8.3
374.20676	1.6
375.17599	0.5
375.21790	5.2
376.21820	0.4
377.19690	3.2
378.20120	0.6
389.19672	28.2
390.19934	4.6
417.22705	1.5
431.24371	0.6
432.25137	3.5
433.25610	0.7
457.33603	0.5
484.12756	0.4
499.54974	0.4
501.32227	100.0
502.32568	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	501.3222
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03446	0.8
59.01379	0.5
61.98829	0.2
71.30411	0.3
79.05518	0.2
81.03433	0.2
83.05061	0.3
85.06602	0.6
86.06887	0.2
87.04523	0.4
107.05020	0.4
109.06583	0.9
111.04544	6.8
111.08183	0.4
112.04863	0.2
121.06540	0.2
123.08173	0.6
133.06647	0.6
135.08209	0.2
136.01703	0.4
137.02473	0.5
138.80318	0.2
149.06059	0.2
151.07712	0.2
152.01199	0.3
152.86449	0.2
159.08170	0.3
159.56929	0.2
160.38319	0.2
161.09721	1.1
162.03300	0.3
163.04185	0.2
163.07678	0.6
166.02809	0.3
167.07129	0.2
175.11287	0.4
177.09200	0.7
177.12871	0.6
189.01897	0.2
189.05623	0.4
190.02747	0.4
190.73576	0.2
191.03563	0.5
191.07060	0.3
192.07925	0.3
193.05084	0.7
193.08673	0.2
194.05846	1.1
195.06566	0.2
204.07800	0.3
205.05107	0.6
205.08730	4.0
206.05852	0.6
206.09039	0.3
207.06645	11.0
208.07353	1.8
217.05055	0.3
217.12274	0.2
219.06686	3.3
219.10254	0.3
219.13860	0.4
220.07133	0.4
221.08232	1.1
229.12392	0.9
231.06638	1.6
231.13937	1.6
232.07327	0.8
232.14317	0.2
233.08197	3.9
234.08527	0.4
235.09663	0.2
243.10336	0.2
245.08160	0.9
245.15633	0.3
247.09714	0.5
247.13379	2.1
248.13751	0.3
257.11841	2.2
258.12094	0.2
259.09750	0.3
261.11301	4.3
262.11966	0.9
263.12848	1.1
265.14493	0.8
273.11307	0.7
275.12888	64.7
276.13266	6.9
277.14417	0.3
287.12933	0.7
288.13596	0.3
289.14462	2.9
289.21671	0.3
290.14673	0.4
303.15964	0.4
305.13992	1.3
306.14511	0.3
307.15558	0.4
313.14542	0.8
315.15927	0.4
317.13779	0.5
317.17606	0.7
319.15430	0.7
329.21042	0.3
331.15347	0.8
331.19156	0.2
332.15894	0.2
341.24829	0.4
345.20554	0.2
355.19058	1.0
359.18512	0.2
361.20279	0.3
364.18958	0.8
371.18622	0.8
373.20203	11.0
374.20572	2.1
375.18079	0.6
375.21933	0.5
377.19739	3.1
378.20166	0.4
389.19705	24.1
390.19989	3.2
415.24887	0.5
417.22964	1.2
418.23056	0.2
431.24377	0.7
432.25067	2.7
433.25632	0.5
457.33435	0.3
464.24127	0.2
501.32220	100.0
502.32571	21.2
502.40271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.34274	0.4
70.47633	1.6
70.63328	0.5
83.68843	0.3
85.06611	0.7
96.80429	0.4
109.06551	0.7
111.04525	4.4
111.08153	0.7
151.07683	0.9
177.09108	1.2
193.05098	0.5
194.05826	0.8
205.08701	1.2
207.06630	8.2
208.07274	1.9
219.06615	2.2
219.10358	0.8
221.08170	2.1
231.13902	0.6
233.08174	4.9
245.15410	0.9
247.13536	0.6
257.11951	0.7
261.11325	4.0
262.11871	0.9
263.12848	0.9
271.39200	0.5
275.12869	25.9
276.13330	3.4
277.14206	0.5
287.12698	0.4
289.14459	15.2
289.21686	1.0
290.14728	2.9
291.14908	0.9
305.13968	2.1
307.15512	1.8
317.17508	0.8
319.15515	2.7
331.15503	1.0
355.19232	1.6
364.18912	1.3
371.18604	0.9
373.20157	7.6
374.20499	1.0
375.21860	5.8
376.22034	0.9
377.19714	4.1
377.67227	0.5
378.20084	1.0
389.19647	31.1
390.19965	5.2
415.24734	0.6
417.22827	1.8
431.24536	0.6
432.25165	4.1
457.33307	0.8
501.32156	100.0
502.32498	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01385	3.1
61.98835	100.0
62.98530	0.2
71.01397	0.7
78.95954	0.4
83.01413	0.2
85.02969	0.3
89.02443	0.2
99.04562	0.3
101.02477	0.5
111.00932	0.2
111.04611	0.2
113.02496	0.2
116.92885	0.5
119.03571	0.2
123.04565	0.2
125.02443	0.2
131.03500	0.2
154.41422	0.2
161.40601	0.2
165.19742	0.2
194.08409	0.3
205.21301	0.2
229.70760	0.2
305.20139	0.2
305.69943	0.1
306.20227	0.3
307.19974	0.2
308.20535	0.2
311.73087	0.2
414.72327	0.2
440.24771	0.4
468.53525	0.2
500.20490	0.2
501.31439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18259	0.2
59.01381	73.7
60.01714	0.8
61.98833	0.7
66.53349	0.2
67.93356	0.2
69.91219	0.4
69.91626	1.0
90.97147	0.5
122.17303	0.2
132.98224	1.8
141.53659	0.2
157.03604	2.1
158.03696	0.5
159.01517	2.3
174.99261	23.3
175.99586	0.3
201.02562	31.4
202.02679	3.0
217.00310	100.0
218.00647	3.8
218.98177	0.3
223.27203	0.3
317.00299	0.2
334.55411	0.2
343.03702	2.7
344.03772	0.7
359.01474	66.6
360.01703	9.9
360.06281	0.5
387.17661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.46177	0.3
60.01725	0.6
62.00647	0.3
62.08600	0.3
71.71196	0.4
114.23379	0.3
126.36937	0.3
291.47092	0.3
341.31503	0.4
360.23425	0.3
385.34775	0.4
441.26508	1.7
442.26187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.322
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03433	0.6
69.59185	3.1
93.71506	0.5
107.05058	0.5
111.04530	6.0
123.08194	0.7
133.06653	0.7
149.02451	0.7
151.07602	0.6
161.09715	0.8
163.07539	0.7
177.09258	0.7
191.03558	0.8
194.05775	0.7
195.06607	0.7
204.18156	0.5
205.08728	4.7
207.06651	12.1
208.07338	2.4
219.06750	2.2
221.08112	1.2
229.12347	1.1
231.06636	1.6
231.13884	1.7
232.07222	0.6
233.08192	6.7
234.08601	0.8
247.13286	2.3
257.11795	1.4
261.11288	4.3
262.11777	0.8
263.12906	2.3
275.12885	66.0
276.13260	8.7
277.14288	0.7
289.14484	4.3
290.14911	0.9
305.14050	1.7
315.15875	0.7
317.14093	0.8
319.15549	1.4
364.18954	0.9
371.19128	0.8
373.20236	7.2
374.20645	1.0
375.18033	0.6
377.19717	3.5
378.20154	0.7
389.19696	29.2
390.20154	3.8
405.35663	0.5
411.93832	0.5
417.22803	1.1
431.24356	0.9
432.25238	3.3
501.32211	100.0
502.32516	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3066
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
57.03445	0.4
69.60547	1.6
69.60974	0.9
85.06597	0.5
87.04529	0.3
105.07142	0.3
107.05036	0.7
109.06616	0.5
110.18481	0.3
111.04532	8.1
119.08703	0.5
121.06575	0.3
123.08188	0.7
136.01662	1.0
137.09770	0.3
149.02501	0.4
150.28140	0.3
151.03941	0.5
152.01108	0.3
159.08171	0.3
161.06129	0.3
161.09729	1.5
162.10052	0.3
163.00398	0.4
163.04019	0.6
163.07668	0.8
165.09242	0.6
166.02708	0.6
167.22890	0.4
168.78699	0.3
177.09216	1.0
178.06363	0.4
187.07642	0.7
189.01917	0.5
190.02621	0.4
191.03459	1.1
191.07104	0.3
192.07901	0.4
194.05937	0.5
203.07083	0.4
205.05090	1.0
205.08704	6.3
206.05846	1.2
206.09070	0.4
207.06628	4.7
208.07396	2.1
209.08264	2.0
215.07034	0.3
219.06566	2.4
220.07162	0.3
221.08218	4.1
222.08780	0.5
229.12364	1.5
231.06667	2.1
231.13916	2.7
233.08191	8.4
234.08475	0.7
235.09787	1.1
247.09979	0.4
247.13377	2.3
257.11841	2.7
261.11270	2.2
262.11935	0.9
263.12848	0.4
275.12881	100.0
276.13254	9.7
277.14462	0.9
289.14417	1.4
359.18622	1.7
375.18027	0.4
377.19836	1.4
378.20132	0.5
387.18192	2.5
430.23569	0.9
431.24222	0.4
443.27966	1.2
499.30618	92.2
500.30975	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.8
63.28432	1.1
69.03448	1.8
69.72025	1.0
85.06647	2.7
87.04530	11.5
95.05033	1.6
97.02956	1.3
107.05023	1.7
109.06602	2.3
111.04533	46.2
111.08170	14.7
112.04871	1.5
113.06111	11.1
123.08171	1.5
127.07648	2.1
133.10226	1.9
135.08205	1.9
137.09712	3.0
139.07616	2.0
175.11250	1.1
177.12871	1.5
178.09985	2.2
201.16504	4.9
205.16003	2.2
212.45808	1.0
213.47456	1.0
215.18152	1.3
221.08179	3.2
229.08948	1.2
247.17099	1.9
261.18546	1.4
273.22363	1.8
275.19995	1.3
319.19214	4.4
325.25293	3.5
335.59219	1.6
343.26395	11.0
359.18570	7.1
360.19223	2.6
361.16522	1.4
369.24432	1.2
387.25406	100.0
388.25784	16.2
445.52020	1.3
499.30701	76.9
500.30884	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3061
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
57.03433	0.6
58.29304	0.3
59.01368	0.8
61.98817	0.9
69.53095	3.8
83.05028	1.6
85.02925	1.4
87.04529	2.3
95.05037	1.0
97.02995	0.6
108.96022	0.4
111.04517	2.4
112.02550	0.4
113.06112	0.4
121.67654	0.3
123.08073	0.5
124.01659	1.4
137.02435	0.9
139.04018	0.7
139.07655	0.4
151.04015	0.5
151.11371	0.5
167.03485	0.5
167.71638	0.4
175.03932	0.4
177.09134	0.4
180.04323	1.4
181.05011	0.9
182.05919	0.5
183.06641	7.3
191.03506	0.8
192.07974	1.9
193.05070	2.2
193.12326	0.7
194.05646	0.5
205.05101	2.8
205.08687	1.7
206.05821	1.5
209.11870	0.9
210.05321	0.6
214.04939	2.1
217.05055	1.0
217.08702	0.4
217.12239	0.5
218.05779	0.5
219.06633	1.5
223.06117	2.1
231.06647	3.0
231.10081	0.4
233.08234	0.6
235.06133	0.8
236.06818	0.7
243.06700	0.7
243.10242	1.5
245.07999	0.6
245.19099	0.6
247.09744	0.9
248.36420	0.4
249.07675	0.7
251.12888	2.8
253.10826	0.8
259.09702	1.4
261.11325	4.3
262.11807	0.6
273.11307	3.7
273.15027	0.7
274.11951	1.4
275.12781	1.2
285.11234	0.8
287.12851	1.9
287.16296	0.7
289.14386	1.1
289.21667	0.8
291.12378	3.7
292.12732	0.9
293.13928	1.4
299.12924	2.2
300.13159	0.5
301.14511	5.1
301.17810	0.9
302.18707	0.7
303.12503	0.9
304.12958	0.7
305.13806	0.7
311.12955	0.8
317.14075	0.8
317.17599	1.2
327.15958	0.8
329.13843	0.6
329.17569	6.0
330.18097	1.0
331.19019	0.4
332.16315	1.4
333.20444	0.5
337.16367	0.4
339.16241	0.8
341.17599	3.7
342.18231	1.0
343.19302	2.2
344.19965	1.8
345.17068	2.2
345.20770	0.8
345.28278	0.5
355.19049	1.6
357.17087	17.8
358.17471	2.4
359.18460	2.8
360.19308	0.8
369.17105	9.4
370.17261	1.4
373.20181	1.7
375.18240	1.9
385.20288	1.3
387.18170	10.2
388.18625	1.7
397.20117	1.2
399.21799	0.5
400.22495	1.5
411.21643	1.0
412.22528	1.5
413.22546	0.5
413.27023	4.2
414.27420	1.0
425.30527	1.6
430.23410	1.0
433.00961	0.4
437.30670	1.3
438.31171	0.4
458.45505	0.5
461.25494	4.5
462.25558	0.9
469.29584	5.8
470.30072	1.5
481.29608	4.4
482.30460	0.6
499.23874	5.9
499.30634	100.0
500.24197	0.8
500.30972	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3064
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
51.38479	0.3
71.19069	0.8
74.12540	0.4
85.06592	0.7
97.02998	0.4
109.02957	0.3
109.06644	0.6
110.12055	0.3
111.04536	5.3
114.31766	0.4
133.10208	0.6
135.08153	0.6
137.09720	0.7
154.80821	0.3
164.01178	0.4
175.11278	1.5
177.09222	2.1
177.12836	0.8
191.10709	0.4
193.05107	0.5
194.05821	0.4
201.09213	0.6
203.03448	0.4
205.05078	1.1
205.08711	0.9
207.06668	1.2
209.44594	0.4
219.06653	1.6
219.10245	3.1
220.07332	0.6
221.08182	4.5
222.08742	0.4
229.12289	0.5
231.06596	1.6
231.13956	0.4
233.08206	4.9
243.13884	1.4
245.08092	2.1
245.15390	2.7
246.08820	0.5
247.09747	0.8
249.07640	0.5
259.09659	0.5
261.11298	3.5
261.14960	0.6
262.11835	0.5
263.12665	0.5
271.13428	1.7
273.11395	0.9
274.11765	0.4
275.12881	11.2
276.13254	1.5
283.67490	0.4
287.12939	2.8
288.13434	0.4
289.14453	53.8
290.14771	6.3
291.12344	3.0
292.12805	0.7
301.14420	0.7
305.13986	3.5
306.14081	0.4
315.15958	1.2
315.23203	1.2
317.14020	1.6
345.16919	0.4
357.16833	0.6
359.18497	2.1
360.19275	0.7
369.16867	0.7
371.18665	9.6
372.19058	1.8
373.20264	1.4
387.18225	4.0
388.18417	0.9
413.23184	3.1
430.23715	1.3
469.29590	0.6
499.30652	100.0
500.30994	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	499.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
69.03461	0.3
69.54729	0.6
69.55216	2.2
69.55636	0.4
84.02608	0.3
87.10197	0.3
97.02957	2.5
99.80576	0.3
109.02967	1.1
109.06608	0.6
111.04543	0.8
113.60548	0.3
123.08193	0.3
124.01667	0.4
136.01695	0.6
137.02440	1.2
138.62514	0.3
149.02455	0.4
149.09705	0.3
151.04018	1.0
155.16531	0.3
161.02463	0.3
161.09743	1.0
163.04018	1.4
163.07709	0.4
164.04791	0.3
176.04582	0.3
177.09198	0.6
180.04254	0.7
187.07640	0.3
189.05699	0.3
191.03458	0.7
191.06987	0.5
193.05067	2.8
193.08698	0.5
194.05867	3.2
197.34042	0.3
201.05753	0.3
205.05119	2.3
205.08711	7.9
206.05777	0.6
206.09189	0.7
207.06610	1.2
215.03554	0.4
215.07208	0.3
217.05151	0.5
217.08740	0.5
217.12401	0.7
218.05699	0.4
219.06622	9.0
219.10068	0.6
219.13643	0.3
220.07043	0.7
221.08160	5.9
222.08957	1.8
223.06120	2.6
224.06960	1.4
229.12544	0.3
231.06656	4.4
232.06993	0.3
233.08255	0.5
233.11803	1.2
235.09705	0.4
237.07742	0.6
243.10242	0.4
245.11885	0.8
247.09695	1.7
249.07677	4.2
250.59552	0.4
258.08951	0.3
259.09778	0.9
261.11319	18.5
262.11868	2.5
271.09863	0.4
273.11319	10.2
274.11835	1.3
275.12860	1.8
277.10861	0.9
285.11398	0.5
287.13107	1.5
287.16092	0.5
289.14392	0.6
291.12378	18.9
292.12943	2.6
301.14484	2.3
302.18765	0.4
305.13913	0.5
307.59442	0.3
327.15881	0.4
339.16125	0.6
343.19110	1.1
344.19858	0.7
345.17148	1.0
345.20889	0.4
357.17096	6.7
358.17328	1.0
359.18637	2.2
360.19211	0.5
369.17053	5.1
370.17484	0.5
371.18661	0.4
373.20285	0.6
375.17990	0.7
385.20285	0.6
387.18210	5.5
388.18607	0.6
397.20459	0.5
399.21210	0.3
400.22647	0.5
411.21777	0.5
412.22382	0.6
413.27362	2.0
414.27704	0.5
430.23618	0.9
455.66745	0.3
469.29471	3.0
470.29761	0.8
481.29559	2.5
482.30255	0.5
499.30655	100.0
500.30997	20.4
507.96542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11924	0.4
53.12158	0.5
71.72453	0.6
71.72837	0.8
74.82475	0.4
76.51043	0.5
85.06596	1.0
87.04511	0.4
98.54690	0.4
109.06588	0.7
111.04534	7.9
113.06112	1.7
119.58348	0.4
123.98344	0.4
133.06548	0.6
133.10258	0.7
135.08186	1.4
137.09695	0.9
153.93663	0.4
175.11333	1.1
177.09288	2.0
177.12917	1.0
182.40393	0.4
193.08397	0.5
201.09250	0.5
203.03336	0.4
205.05074	1.5
205.08727	0.8
207.06621	2.1
219.06686	1.7
219.10280	3.9
220.07303	1.0
221.08211	2.4
231.06631	1.4
233.08110	1.9
235.09827	0.5
241.47964	0.4
243.13931	1.4
245.08131	1.3
245.15381	3.2
246.08846	0.5
247.09747	4.1
248.10048	0.4
261.11270	4.4
261.15051	0.8
262.11880	0.7
263.12924	1.2
271.13388	1.4
275.12851	7.0
276.13190	0.7
287.12585	0.5
289.14447	69.7
290.14810	8.0
291.12381	1.2
305.13885	1.2
315.16031	1.8
315.23254	1.2
317.13895	1.5
359.18539	1.7
360.19357	0.6
361.16632	0.8
369.16812	0.8
371.18701	4.0
373.20230	1.7
387.18088	4.6
387.25748	0.9
388.18311	0.6
413.23273	1.8
430.23599	1.3
499.30643	100.0
500.30969	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	499.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01497	0.2
57.03445	0.5
69.83601	1.9
70.43541	0.3
71.01380	0.3
83.05045	0.4
97.02967	2.4
97.06580	0.3
98.20512	0.4
98.80476	0.3
109.02985	1.4
109.06581	0.5
111.04546	0.4
127.04016	0.4
133.06569	0.4
136.01672	0.6
137.02483	1.5
147.08160	0.3
149.02470	0.5
149.06100	0.4
149.09666	0.3
151.04018	0.8
161.02396	0.3
161.09734	0.8
162.03203	0.3
163.04042	1.5
163.07544	0.4
164.04822	0.3
166.02753	0.5
175.11302	0.4
175.53664	0.3
177.09201	0.8
178.06282	0.4
180.04289	0.8
187.07613	0.3
189.01912	0.4
191.03529	1.1
191.07166	0.7
192.04137	0.3
193.05077	3.0
193.08714	0.3
193.12265	0.4
194.05815	4.0
198.02600	0.3
203.07108	0.4
203.10716	0.4
205.05103	3.5
205.08702	10.2
206.05748	0.8
206.09064	0.8
207.06615	1.7
207.10283	0.4
217.05067	0.8
217.08643	0.4
217.12331	1.1
218.05777	0.3
219.06635	11.4
219.10089	0.6
219.13828	0.3
220.07056	0.8
221.08235	0.3
223.06104	3.1
224.06882	1.7
227.10649	0.3
231.04283	0.3
231.06628	5.8
231.10146	0.3
233.08189	0.7
233.11823	1.0
235.06155	0.5
237.07732	0.7
243.06586	0.5
243.10217	0.3
245.08186	0.3
245.11746	0.7
247.09770	2.4
249.07684	5.3
249.11562	0.4
249.38957	0.3
250.07997	0.5
258.08908	0.4
259.09778	1.1
261.11307	21.1
262.11859	3.7
266.07928	0.3
273.11316	11.7
274.11923	1.5
275.12878	1.7
276.13522	0.5
277.10849	1.1
285.11188	0.4
287.12888	1.5
289.14429	0.8
291.12387	24.3
292.12869	3.0
301.14490	2.8
302.15097	0.6
302.18564	0.5
303.12421	0.5
303.16129	0.3
305.14026	0.4
329.17462	0.7
339.15808	0.6
342.74374	0.3
343.15463	0.8
343.19165	0.6
344.19937	0.7
345.17026	0.9
345.20804	0.3
357.17041	7.7
358.17413	1.2
359.18497	0.4
369.17059	5.4
370.17316	0.5
371.18707	0.4
375.18204	1.1
385.20288	1.0
387.18164	5.4
387.23160	0.3
388.18594	1.0
397.20007	0.5
398.20807	0.3
400.22470	0.5
411.21802	0.9
412.22665	0.6
413.27499	1.7
425.30267	0.4
430.23462	1.1
469.29474	3.8
470.29922	0.6
481.29596	3.0
482.30389	0.5
499.30634	100.0
500.30951	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1951
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01383	81.3
61.64499	2.2
61.98833	75.2
65.65261	2.7
68.99551	4.4
69.03455	2.3
71.01390	36.0
71.72385	3.7
73.02963	6.1
81.03471	3.0
81.43349	2.4
83.01419	3.1
85.02953	5.3
88.98842	4.0
89.02457	53.3
92.01082	2.6
96.96035	2.4
97.02953	5.6
99.00887	7.4
101.02440	21.7
109.02977	4.9
112.98579	8.4
113.02481	6.8
116.92904	4.7
119.03532	2.8
125.02477	37.5
131.03514	13.9
137.02454	12.0
143.03578	2.7
149.04584	44.2
158.03444	2.3
161.04712	2.7
163.03987	2.6
165.01968	7.1
168.95558	2.1
169.12335	16.0
187.67911	2.8
191.05629	9.6
211.13383	3.1
211.33875	2.5
227.52551	2.5
233.06656	12.0
269.39557	2.6
275.07614	3.5
278.49490	2.3
287.05508	2.7
293.08807	100.0
294.09097	8.0
301.14490	2.9
329.06482	66.0
330.06909	5.5
481.18494	3.5
499.19464	69.1
499.28354	7.3
500.19891	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	499.2331
Annotation	Elaphopilosin A
Peak:m/z	Relative Intensity
51.88844	0.4
71.31435	0.4
71.72032	0.5
71.72450	0.8
75.37025	0.4
79.01899	1.6
85.06593	0.8
87.04536	0.6
95.05028	3.7
97.02970	1.8
102.16733	0.6
107.05055	0.5
109.06592	2.1
111.04530	9.6
123.04522	0.8
123.08177	1.8
136.05339	0.5
138.03239	1.5
139.04031	7.7
141.09204	0.8
144.18748	0.5
147.08226	0.8
150.03180	0.6
150.06834	0.8
151.04019	3.1
163.07620	0.8
165.01941	2.1
165.09224	26.3
166.02716	6.0
166.09576	1.6
177.01978	2.3
177.05693	0.6
178.02673	1.0
188.66240	0.5
191.07173	2.0
192.07962	2.3
193.08519	0.7
203.07112	1.2
205.05026	3.2
207.06644	1.7
207.10287	1.5
208.07426	27.9
209.08197	100.0
210.08536	6.9
219.06575	3.5
220.07391	5.9
221.08194	26.1
222.08524	1.8
223.09715	1.4
233.15450	2.7
235.83679	0.5
245.15475	0.6
252.06374	0.9
263.12820	0.8
277.14444	60.6
278.14777	6.8
289.14453	28.5
290.14810	2.8
385.16843	0.5
430.16443	0.6
499.23373	52.0
500.23767	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	499.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81191	0.6
50.85486	0.8
51.09751	0.7
54.57367	0.7
59.01378	10.6
61.98832	39.0
64.36357	0.8
68.15611	0.9
71.01393	1.9
73.02965	0.9
83.00459	0.8
88.98814	5.7
89.02450	2.1
94.89977	0.7
96.96072	0.9
101.02475	1.9
109.02966	1.2
112.98486	0.7
113.02467	1.4
121.03008	5.9
125.02449	1.5
136.58482	0.8
143.10835	1.0
165.12903	4.5
173.04613	1.1
179.03421	1.0
183.13913	94.2
184.12749	1.2
184.14201	7.0
191.05641	3.2
193.08682	1.2
197.02245	1.1
197.55803	0.8
209.11873	2.7
218.99704	0.8
227.12872	6.3
298.28903	0.8
301.03278	1.4
301.16559	100.0
302.16885	10.5
442.59067	0.8
463.09073	1.2
499.19412	8.5
499.24854	0.9
500.19019	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63861	0.6
59.01380	7.6
61.98832	27.4
62.53901	0.5
64.74071	0.5
69.68742	4.1
71.01390	2.4
72.99319	0.5
75.12508	0.5
89.02444	2.1
92.13610	0.5
93.03485	0.6
93.45782	0.5
96.96030	1.0
99.04520	0.5
101.02438	1.2
101.51228	0.6
121.03019	0.8
125.02432	1.9
135.04575	0.7
137.02490	0.5
165.12875	4.7
179.03499	0.9
183.13910	89.9
184.14252	6.9
191.05670	1.6
197.02231	1.3
201.95535	0.6
205.08716	1.5
209.11829	3.0
227.12924	4.9
247.06418	0.6
277.14545	0.6
285.04068	1.9
295.09531	0.8
301.16568	100.0
302.16971	9.0
325.16708	1.1
484.50009	0.6
499.12332	0.8
499.19168	7.1
499.25912	0.9
500.19522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1455
Annotation	kn-93
Peak:m/z	Relative Intensity
56.99819	0.3
57.03445	1.3
58.56440	0.4
59.01374	1.7
60.99310	3.0
61.98828	1.6
65.03961	0.4
67.01891	9.8
68.02230	0.5
69.03455	2.6
71.01385	4.0
72.99345	0.4
81.03468	2.3
83.05053	1.5
85.02964	4.5
87.00885	13.0
89.02442	0.6
93.03470	66.3
94.03800	1.8
96.64907	0.4
99.00895	1.2
101.02467	0.6
109.02975	1.2
109.26201	0.3
111.04549	8.0
113.02441	1.4
115.04067	0.6
117.03488	0.6
119.05047	28.3
120.05395	1.2
125.02487	1.0
127.04012	0.9
129.01974	2.4
135.04541	0.6
137.02515	0.5
143.03467	0.5
145.02992	2.1
155.03474	2.5
163.04031	22.6
164.04349	1.1
173.04573	19.7
174.04930	1.0
177.02042	0.4
191.05635	79.3
192.05997	3.7
243.02994	0.6
289.07379	0.6
333.43765	0.4
337.09262	10.5
338.09641	1.2
341.11029	0.6
379.10300	1.5
483.26758	0.4
499.14557	100.0
500.14935	16.0
500.22217	1.0
504.02371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1952
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
51.11307	2.8
57.03456	2.9
59.01379	79.4
61.98830	88.3
68.99590	8.5
69.78281	4.9
69.78613	21.8
71.01389	38.4
73.02936	5.4
74.56598	2.6
80.31062	3.1
83.01401	3.6
83.04984	3.4
85.02950	4.9
88.98809	6.9
89.02459	61.4
97.02970	4.9
98.20535	4.5
99.00903	11.0
101.02459	23.7
111.04658	3.0
112.98553	8.4
113.02450	8.8
115.04047	4.8
116.92870	3.4
125.02471	36.9
131.03511	12.0
137.02467	10.0
149.04587	40.1
161.04550	5.0
164.11868	3.5
165.01967	4.2
169.12314	18.0
191.05627	7.9
233.06645	14.9
249.46606	2.9
271.02585	3.8
275.07880	3.4
293.08786	100.0
294.09183	7.3
299.01855	4.8
329.06458	75.3
384.11826	3.2
499.19498	68.0
499.28561	8.7
500.19952	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	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03175	0.4
57.03450	7.2
59.01380	2.1
61.98837	2.5
63.02389	0.5
65.00327	0.6
69.70113	1.4
71.01389	0.3
73.51785	0.2
81.03468	1.9
81.98695	0.2
83.01400	7.3
91.86090	0.2
95.05043	0.4
97.02956	1.1
99.04527	0.5
100.09231	0.2
105.03468	0.4
107.01399	1.2
119.03550	0.3
121.02973	0.8
123.04554	0.7
123.08174	0.4
125.02466	100.0
125.06068	2.0
126.02802	3.6
126.90450	0.2
128.47157	0.2
135.04515	0.3
137.02415	0.6
139.04016	2.5
149.02466	11.7
150.02832	0.6
151.00372	1.7
163.04073	0.8
167.03519	4.9
168.03842	0.2
169.01414	0.3
173.02489	0.8
175.00375	0.3
178.06339	0.5
179.03514	1.5
191.03522	0.5
191.05421	0.2
193.08752	0.8
209.04585	0.3
233.08218	0.8
251.09256	10.3
252.09563	0.7
275.09299	2.8
291.27429	0.2
293.10321	1.2
311.07825	0.4
329.05249	0.4
329.08835	4.4
330.09076	0.3
356.40036	0.2
413.14661	0.3
436.94843	0.2
437.14639	0.3
448.98529	0.3
455.15604	18.4
456.15891	2.6
513.29083	0.2
516.16089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01365	0.2
60.59947	0.2
62.66239	0.2
64.02647	0.2
70.72954	0.4
71.01378	0.8
73.02921	0.3
81.03491	0.5
83.05042	0.7
93.03458	4.0
111.04533	2.5
119.05042	91.9
120.05382	4.4
126.01348	0.2
137.02451	0.4
149.05142	0.2
155.03506	3.3
163.04028	100.0
164.04361	6.0
164.05743	0.3
173.04558	5.6
177.02022	0.2
191.05627	2.8
195.84839	0.2
214.62807	0.2
279.55615	0.2
293.90530	0.3
294.52536	0.3
311.24817	0.2
325.09283	14.2
326.09509	1.4
337.09286	0.6
499.14575	24.8
500.14810	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	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82310	0.2
69.89339	0.4
69.89745	1.2
71.01382	0.5
73.02940	0.2
83.05019	0.5
85.02962	0.5
87.00916	0.6
87.94315	0.2
93.03450	2.5
98.20602	0.4
109.02960	0.2
111.04549	2.3
115.04001	0.3
117.03500	0.3
119.05044	78.7
120.05388	3.8
127.04040	0.2
137.02486	0.3
139.45775	0.3
155.03508	3.1
158.80128	0.2
163.04027	100.0
164.04369	5.3
173.04570	6.5
182.83965	0.3
191.05609	1.5
205.05177	0.3
215.10107	0.2
258.77438	0.2
325.09250	5.9
326.09598	0.7
335.08237	0.3
439.18533	0.2
499.14566	13.6
500.14896	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	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08945	0.2
57.03443	0.8
59.01380	1.7
60.99299	0.5
61.98833	1.4
67.01892	3.9
69.03469	1.0
71.01389	3.5
71.71214	0.3
72.99292	0.3
81.03458	0.8
83.01371	0.2
83.05040	0.7
85.02958	0.4
87.00906	0.3
89.02464	0.2
93.03470	24.7
94.03806	0.8
96.96025	0.5
99.00881	0.3
101.02443	0.4
109.02924	1.2
111.00896	0.8
111.04528	4.3
112.04900	0.2
113.02474	0.2
114.44170	0.2
116.92967	0.2
119.05045	23.8
120.05386	1.1
123.04562	0.3
125.02457	0.6
127.04012	0.4
135.04564	0.4
137.02464	4.0
149.06102	1.1
151.04073	0.5
155.03532	4.3
161.02504	0.3
163.04037	24.8
164.04379	1.3
173.04579	100.0
174.04916	4.7
175.04018	0.4
178.07520	0.2
191.05670	2.2
193.05045	0.3
205.04871	0.3
217.04985	0.2
219.03018	0.4
237.04050	0.5
243.02963	0.4
277.11874	0.3
325.09302	3.0
335.09930	0.3
337.05725	0.6
337.09341	0.3
377.14432	0.3
499.14575	7.7
499.30515	0.3
500.14774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24551	0.1
58.49054	0.2
59.01374	1.2
61.98833	100.0
62.98539	0.2
69.72472	1.3
71.01391	0.5
83.01403	0.2
87.00879	0.2
89.02464	0.4
91.01903	0.3
93.03488	0.8
101.02482	0.4
109.02982	1.4
117.03526	0.3
119.05115	0.2
121.02995	0.3
122.03764	0.2
123.04552	1.6
125.02474	0.7
126.02831	0.2
131.03578	0.2
135.04529	0.3
139.04037	1.0
143.10820	0.5
145.02998	0.5
147.04552	0.3
149.02490	0.3
150.03223	0.2
151.04074	0.7
159.04585	0.2
161.06027	0.2
163.03990	0.4
171.66824	0.2
173.04576	0.2
177.01929	2.5
178.99904	0.2
187.04128	0.2
189.01947	4.5
189.03603	0.2
190.02740	1.1
191.03503	1.0
191.05582	0.4
203.03572	0.5
216.00670	0.6
217.01421	3.8
218.01956	0.5
219.02988	1.3
231.02963	1.2
245.04721	0.2
271.06125	0.4
280.23132	0.2
281.04456	0.2
283.06238	0.2
289.07166	0.6
297.07813	0.3
311.05698	0.6
341.06674	11.7
342.07013	1.5
376.23895	0.2
382.13101	0.3
435.10855	13.1
436.11121	2.4
455.15540	0.3
498.13751	0.3
498.24988	0.2
499.08832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34508	0.7
59.01350	1.3
61.98830	23.4
70.14283	3.8
71.01369	1.3
83.01390	1.0
85.02951	7.7
87.00877	2.2
93.03479	4.5
107.01372	0.9
108.02158	1.0
109.02959	2.2
111.04530	1.2
121.02934	1.3
126.82468	0.7
127.04018	1.8
135.00909	1.0
151.00381	7.3
162.15372	0.7
163.00388	1.6
164.01146	1.1
173.04521	1.9
173.05920	0.9
178.99879	3.4
187.03983	2.5
187.07649	6.8
191.05618	100.0
192.06018	3.9
199.03946	0.8
201.05502	0.7
202.06418	4.9
215.07033	0.9
226.02783	1.1
227.03380	1.4
231.10226	2.5
243.02940	6.6
244.03403	2.2
245.04407	1.2
254.02130	1.6
255.02950	19.5
261.03961	1.9
262.04364	1.5
271.02460	36.7
272.02875	4.3
275.09195	1.8
283.02820	1.0
289.10892	1.7
300.02753	74.4
301.03442	31.5
302.03763	2.3
307.11923	4.6
418.68954	0.9
463.08789	91.1
464.09100	11.8
481.17166	5.8
499.11575	1.1
499.18130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.72707	0.2
61.98833	100.0
62.98548	0.3
65.00333	0.2
71.01406	0.4
71.71837	0.3
72.99330	0.2
87.00935	0.3
88.98831	0.4
93.03500	0.4
98.52098	0.2
108.04546	0.3
109.02986	0.5
120.04575	0.2
121.03012	0.8
123.04553	0.2
124.84900	0.2
125.02494	0.5
126.05633	0.4
133.02980	0.3
135.04555	0.3
138.05699	0.2
141.84038	0.2
148.04105	0.4
149.04555	0.2
149.06107	0.2
150.05606	0.2
151.00417	0.7
151.04042	0.4
155.05040	0.2
161.02371	0.2
165.09212	1.0
166.05145	0.6
166.73671	0.2
173.04636	0.3
173.06149	0.4
175.04047	1.3
177.01936	0.3
191.04033	0.3
191.05598	1.3
191.07095	0.2
192.05951	0.2
193.05199	0.2
199.04028	1.6
209.04622	0.8
209.92879	0.2
217.05150	0.6
230.24016	0.2
243.02986	5.8
244.03279	0.3
245.08211	0.3
248.16568	1.8
261.04025	10.1
262.04388	0.9
274.14801	0.3
289.07336	0.7
292.15506	0.2
303.05249	0.2
328.10449	0.8
329.10767	0.6
371.13760	0.3
372.09338	1.1
373.09656	1.5
374.09943	0.3
375.07419	0.9
379.77994	0.2
393.08279	0.3
435.09357	6.6
435.15015	0.4
436.09756	0.9
498.19785	3.1
499.20306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99823	0.2
61.98832	100.0
65.00333	0.2
67.12317	0.2
69.73277	1.4
83.01363	0.3
95.32319	0.2
97.87433	0.2
125.02509	0.2
131.05017	0.3
147.74683	0.2
149.06197	0.2
151.00426	0.5
151.04074	0.4
155.05087	0.4
173.06186	0.4
175.04027	1.1
177.01994	0.5
191.03764	0.2
193.05130	0.3
199.03984	1.7
202.84189	0.2
217.05112	0.4
218.82265	0.2
243.02983	5.8
244.03435	0.4
261.04025	13.2
262.04440	1.2
375.07428	0.3
435.09369	5.0
436.09879	0.5
449.71127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
59.31210	0.2
59.92576	0.2
61.98831	100.0
62.98543	0.3
65.00334	0.4
68.95542	0.2
69.57243	0.2
69.93275	1.3
71.01411	0.4
83.01462	0.2
85.02958	1.7
87.00915	0.4
93.03496	0.7
98.20555	0.4
107.01432	0.6
109.03006	0.5
111.04566	0.4
125.02448	0.4
127.00098	0.2
127.04008	0.3
128.06808	0.2
131.05023	0.2
151.00378	1.3
151.04008	0.5
155.05159	0.3
157.03065	0.2
173.04602	0.6
175.04028	1.2
178.99898	0.3
187.04082	0.6
187.07663	0.9
188.79767	0.2
191.05626	22.6
192.06036	0.3
199.03993	1.9
202.06451	0.7
217.05135	0.8
227.03545	0.3
231.10164	0.2
243.02982	7.4
244.03410	0.5
254.02188	0.2
255.02963	1.8
261.04022	14.8
262.04340	1.1
271.02463	3.0
289.10977	0.3
300.02756	7.6
301.03561	2.7
307.11896	0.9
397.42587	0.2
435.09277	5.0
436.09689	0.5
451.32730	0.4
463.08804	9.5
481.17218	1.0
499.18539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3264
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
65.71551	0.7
71.72528	0.8
71.72961	0.7
89.80711	0.6
105.16864	0.5
111.04546	3.9
121.06626	0.7
123.08226	2.1
125.06091	5.1
163.04024	0.7
177.09241	0.8
189.02170	0.7
191.07196	0.8
191.14519	1.4
205.05238	1.1
205.08815	2.7
207.06674	1.4
208.07497	0.8
219.06656	0.8
221.08200	5.6
222.08952	3.7
233.08176	4.7
234.08722	0.9
235.09900	2.2
245.15649	0.8
247.09766	15.4
248.10210	1.1
261.11371	0.7
261.15002	1.0
271.13284	0.8
275.13022	5.5
275.16431	1.3
276.13406	0.8
287.13132	0.6
289.11154	2.0
289.14438	42.0
290.14990	5.8
301.14508	1.5
303.16153	2.5
317.17413	0.7
319.96698	0.6
329.17670	1.0
359.18713	1.4
367.19229	0.8
371.18661	6.8
372.19031	1.1
373.20480	2.2
385.20142	10.6
385.24545	0.7
386.20840	1.7
497.33047	100.0
498.33347	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	497.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81396	0.4
51.04879	0.4
67.32709	0.4
68.55203	0.4
71.56530	0.6
81.80170	0.4
88.46266	0.4
89.49454	0.4
90.72042	0.4
102.57877	0.4
107.05000	0.5
108.45112	0.5
123.08170	0.6
125.06091	6.5
136.01677	0.8
137.02493	0.6
151.03888	0.6
161.09683	1.1
162.03256	0.7
163.00558	0.5
163.04019	0.9
163.29219	0.5
163.89812	0.4
166.02702	1.8
177.09225	1.3
189.01877	0.5
190.02870	0.8
203.07240	0.7
205.05057	1.3
205.08688	4.7
206.09236	0.7
208.07422	0.6
219.06622	0.8
219.10257	1.2
221.08191	5.9
222.08960	6.9
231.06610	1.1
233.08163	3.7
234.08742	0.8
235.09749	4.4
243.13858	0.6
245.08238	0.5
245.15399	1.1
247.09744	29.1
248.10182	2.7
259.09763	1.6
261.14957	2.7
271.13412	2.6
273.11533	0.7
275.12946	2.2
276.13211	0.5
287.12863	0.7
289.14444	71.3
290.14880	10.3
301.14508	2.8
303.16019	2.7
357.20618	0.9
359.18585	0.8
371.18549	0.8
373.20099	2.3
385.20181	20.0
386.20581	2.4
411.25470	0.8
413.23376	1.5
428.25818	3.0
429.26172	0.9
460.46530	0.4
497.32697	100.0
498.33017	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60102	0.4
56.54936	0.4
58.42273	0.3
59.18056	0.3
63.36797	0.3
71.56512	0.4
88.87159	0.3
101.06084	0.4
125.06111	3.2
137.02419	0.5
137.09727	0.4
152.01170	1.4
177.01950	0.4
178.02826	0.4
203.07138	0.4
205.08688	0.7
208.07413	2.6
219.06613	1.7
221.08197	6.2
222.08768	0.7
229.08582	0.3
231.06631	0.8
233.08189	4.5
234.08926	2.7
243.10185	1.1
245.08093	0.7
247.09740	2.5
259.09723	5.2
259.13504	0.6
260.10327	0.3
261.14911	0.5
271.13263	0.5
273.11487	0.3
273.14948	0.6
275.12820	1.2
276.13577	0.9
287.12869	1.5
288.13705	0.4
289.14447	11.7
290.14917	1.3
299.12872	0.7
301.14505	3.8
302.15109	1.4
303.15906	2.5
309.14914	0.5
313.21713	0.6
315.16013	3.2
316.16537	0.4
327.12451	0.7
327.16006	3.1
343.19052	1.3
357.16364	0.8
357.20703	12.3
358.21204	3.3
360.19412	2.5
361.19843	0.5
367.19083	0.5
371.18393	0.7
371.22318	5.1
372.22650	0.6
373.20181	5.9
374.20456	0.9
381.77371	0.4
385.20193	43.0
386.20563	6.5
413.23093	2.6
414.23663	0.8
427.24820	1.1
428.25592	2.0
429.26257	0.7
453.33716	2.9
454.33954	0.5
497.32706	100.0
498.33014	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	497.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92031	0.3
69.39915	3.0
69.40321	0.6
82.58865	0.3
90.60551	0.3
93.21073	0.3
98.20243	1.7
99.08157	0.4
125.06093	3.5
125.09743	0.4
137.02441	0.5
162.03279	0.4
163.03946	0.4
166.02716	1.2
167.85910	0.3
177.09238	0.4
189.02013	0.4
205.05074	0.5
205.08716	2.1
207.06679	0.5
208.07405	0.8
219.06502	0.4
221.08205	7.8
222.08949	5.9
223.09294	0.9
229.08775	0.4
231.06656	0.5
233.08247	2.7
234.08835	0.5
235.09729	3.2
241.52493	0.4
243.13838	0.6
245.08130	0.4
245.15421	0.8
247.09752	19.3
248.10117	1.7
259.09668	0.6
261.14902	0.9
271.13333	0.6
275.12872	4.2
276.13464	0.7
277.14322	0.4
289.14453	52.1
290.14899	8.7
301.14471	1.4
303.16116	2.5
303.23041	0.4
304.16373	0.3
315.16168	0.5
335.90576	0.4
356.51364	0.3
357.20752	0.4
371.18497	0.5
373.20224	2.4
374.20282	0.6
385.20203	18.8
386.20627	3.7
403.36740	0.3
411.25238	0.6
413.23361	1.8
427.24847	0.9
428.25702	1.7
453.33862	0.5
497.32709	100.0
498.33032	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	497.327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.33712	0.3
69.45108	1.7
69.45538	1.4
78.20544	0.2
97.00027	0.3
99.08159	0.9
101.06102	0.4
101.92972	0.3
107.05040	0.3
108.02140	0.3
122.33571	0.3
125.06094	5.3
126.06435	0.3
133.06648	0.4
133.10222	0.6
149.09720	0.7
161.09839	0.4
175.11261	0.6
177.09294	1.9
191.10793	0.6
191.14444	1.0
193.12352	0.3
205.04977	0.5
205.08688	1.0
219.06764	1.4
219.10292	2.6
221.08244	2.8
222.08940	2.1
231.06615	0.8
233.08215	1.3
234.08826	0.4
235.09796	3.8
236.09950	0.4
245.08267	1.5
245.15504	0.6
247.09737	5.8
248.10159	0.6
257.15491	1.1
259.09769	0.7
259.17004	2.4
260.10376	0.5
261.11508	0.4
261.14758	0.5
267.50073	0.3
273.11060	0.4
275.12885	3.7
275.16522	0.9
276.13168	0.3
285.14899	1.6
289.14459	14.4
290.15060	2.3
301.14383	1.0
303.16019	66.2
304.16327	7.2
315.15979	1.9
315.23297	1.3
334.83701	0.3
335.65866	0.3
343.19144	0.6
357.20663	3.0
358.21378	0.5
367.19165	0.9
371.18857	0.3
371.22397	3.2
372.22559	0.5
373.20282	2.0
385.20169	11.4
386.20517	1.5
390.20462	0.4
413.23022	0.8
428.25500	1.4
429.26016	0.4
443.29916	0.3
497.32700	100.0
498.33060	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03220	0.3
69.39728	2.8
69.40151	0.9
97.36498	0.4
98.20407	1.5
117.83330	0.3
125.06102	6.7
125.09695	0.5
127.71909	0.4
136.01663	0.5
137.02428	0.6
137.09698	0.8
138.03220	0.3
149.02400	0.4
152.01154	0.5
161.02373	0.4
161.09712	1.1
163.04018	0.8
165.01874	0.6
166.02748	3.1
175.11308	0.4
177.09219	0.7
189.01994	0.7
190.02705	0.5
191.03459	0.5
203.07092	0.5
205.05005	1.1
205.08694	5.6
206.09215	0.4
208.07454	0.6
217.08810	0.3
219.06573	0.8
219.10281	1.0
221.08200	9.1
222.08981	6.1
223.09418	0.5
229.08592	0.6
231.06648	2.1
233.08159	3.5
234.08936	0.6
235.09735	3.3
243.13680	0.4
245.08189	0.9
245.15483	1.5
247.09744	20.5
248.10091	1.7
259.09735	1.5
261.14929	0.8
262.05994	0.3
271.13312	0.7
275.12924	2.8
287.12854	0.5
289.14450	50.4
290.14929	6.9
301.14517	2.5
303.16052	2.6
315.15945	0.7
317.17709	0.4
355.19162	0.4
371.22293	0.4
373.20264	3.0
385.20209	22.1
386.20508	2.0
411.25366	0.4
413.23303	1.1
427.24841	0.8
428.25610	1.5
489.85303	0.4
497.32721	100.0
498.33041	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	497.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79119	0.3
57.03449	2.4
68.99836	0.4
69.37378	1.6
69.37807	1.1
74.67950	0.2
79.38499	0.3
82.62560	0.2
85.18433	0.2
99.08186	0.5
107.08688	0.3
123.08178	0.7
125.06102	6.4
149.02460	0.3
152.01151	1.2
177.09151	0.3
191.14375	0.8
205.04987	0.4
207.06601	0.5
208.07420	2.8
209.07904	0.5
217.08823	0.4
221.08063	1.5
222.08849	0.6
227.10834	0.3
229.12210	0.4
231.13898	0.4
233.08202	7.9
234.08682	1.0
235.09715	0.3
243.17641	0.3
245.08122	0.8
245.15480	0.5
247.09727	1.4
259.09674	1.5
259.13464	0.3
259.17145	0.4
261.11319	0.6
271.09808	0.4
273.11343	0.4
275.12875	7.1
276.13556	1.9
277.14371	0.9
283.13513	0.3
285.11252	1.1
287.12878	1.0
287.16455	0.8
288.13718	0.3
289.14566	1.8
290.15125	0.4
301.14496	8.5
302.14822	1.6
303.16113	2.3
313.14456	0.7
315.16025	0.8
325.21689	0.8
327.15936	1.2
327.23273	1.3
340.16428	0.3
342.17966	0.3
351.15982	0.4
355.19073	0.5
357.20663	0.9
367.19119	1.7
371.22287	35.5
372.22650	6.3
373.20065	1.0
383.29257	0.6
385.20151	7.7
386.20630	1.0
395.22299	7.7
396.22705	1.3
409.23978	0.9
410.24576	1.2
413.23093	0.7
428.25558	1.7
450.83670	0.3
479.31717	0.5
497.32715	100.0
498.33057	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56839	0.5
70.26337	2.2
75.73837	0.4
83.65350	0.5
125.06102	3.3
152.01183	0.7
163.84569	0.5
178.02621	0.6
205.08699	1.5
206.09355	0.5
208.07434	2.5
209.08182	0.7
212.21129	0.5
217.08530	0.6
219.06558	0.9
219.19769	0.5
221.08180	7.7
222.08604	0.6
231.06686	0.7
233.08192	3.9
234.08966	2.9
243.10178	0.6
245.11812	0.5
245.15486	0.5
247.09772	2.4
259.09778	4.2
259.12463	0.5
259.13354	0.4
273.11560	0.6
275.12897	0.6
287.12988	0.8
289.14481	12.8
290.14929	2.0
301.14493	4.3
302.15131	2.3
303.15930	2.1
315.15997	2.8
316.16052	0.6
323.38492	0.5
327.16104	2.6
343.18967	1.3
357.16315	0.9
357.20703	12.2
358.21219	2.9
360.19315	2.2
371.22473	4.2
373.20291	5.1
385.20212	42.1
386.20529	6.0
412.30099	0.5
413.23230	2.9
427.24774	1.1
428.25763	2.4
429.26266	0.7
453.33667	2.7
497.32721	100.0
498.33090	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.55465	0.3
58.88916	0.3
60.47324	0.3
69.72304	1.0
69.72709	1.7
79.01887	0.4
79.05547	0.8
86.61168	0.3
93.08331	0.4
93.96124	0.3
107.05067	0.5
119.08660	0.4
123.08167	0.8
124.01627	0.4
125.06106	10.4
136.01674	0.7
137.02440	0.7
137.09758	1.5
150.06839	0.4
152.01134	0.4
156.93594	0.3
161.09743	1.6
162.03322	0.5
163.03969	0.4
163.07715	0.6
177.09203	1.6
187.07527	0.5
189.01901	0.5
190.02655	0.4
191.07196	0.4
191.14455	0.4
192.07863	0.6
193.08730	0.7
193.12271	0.5
203.07193	0.4
205.05095	3.6
205.08722	6.8
206.09093	0.6
207.06596	1.7
214.19835	0.3
219.06595	1.3
219.10216	0.4
220.07224	0.8
221.08205	7.2
222.08923	3.0
227.14464	0.4
231.06567	2.1
233.08176	1.5
235.09778	1.4
243.13931	1.9
245.08218	0.8
245.15501	2.9
246.09187	0.5
247.05734	0.4
247.09731	10.8
248.10095	0.9
261.14957	4.0
271.13489	3.7
275.12930	3.3
276.13608	0.4
277.14203	0.4
289.14453	100.0
290.14828	12.7
303.16132	1.9
303.23471	0.4
308.00256	0.4
329.35834	0.4
355.19186	0.5
367.19080	2.4
371.18240	0.6
371.22482	1.3
373.20239	1.0
385.20193	4.4
386.20828	0.4
428.25699	0.6
429.25449	0.5
453.33737	0.6
497.32715	88.1
498.33081	20.0
498.39001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03448	2.8
58.00586	0.8
59.01381	63.1
59.04560	0.4
60.01714	0.9
61.98832	3.7
67.35467	0.4
69.03466	0.6
70.87727	0.9
71.01389	28.9
72.01717	0.5
72.99332	1.2
73.02955	13.1
75.00896	0.7
76.41997	0.4
78.95917	0.5
83.01386	6.6
85.02956	18.1
86.00124	1.0
86.03288	0.6
87.00878	1.4
89.02453	4.5
94.09469	0.4
95.01417	1.8
97.02957	1.0
99.00901	6.0
100.72005	0.4
101.02457	40.2
102.02802	0.8
102.67321	0.4
111.00889	1.0
113.02464	14.0
113.03244	1.0
114.02811	0.6
125.02471	1.2
125.27724	0.5
129.01962	0.6
131.03520	41.8
132.03865	1.4
141.01898	0.5
141.12947	0.7
143.03514	1.7
149.04611	0.7
159.03020	2.4
161.04565	9.1
161.05853	0.6
191.07187	1.3
191.49370	0.4
213.14970	0.7
300.71814	0.4
305.19693	100.0
306.20032	10.0
306.23532	0.5
349.18872	0.5
369.29153	0.4
437.23929	36.3
438.24271	6.2
497.27393	0.9
498.27670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2908
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
50.74078	0.4
61.73505	0.3
63.85372	0.3
70.95523	1.2
83.05164	0.4
95.05168	0.3
107.05125	0.4
109.06750	0.5
111.03894	0.6
111.04715	6.8
111.08251	0.6
121.06796	0.4
122.25255	0.3
123.08279	0.6
125.06239	0.7
127.07810	0.4
133.06752	0.5
135.04671	0.4
136.01878	0.4
137.02507	0.7
147.08327	0.5
149.02710	0.4
149.06236	0.5
151.07816	0.7
161.02655	0.6
161.09921	1.0
162.03342	0.5
163.00511	0.6
163.04222	1.3
163.07867	0.7
165.05783	0.4
177.05742	0.6
177.09389	0.8
189.02107	1.0
189.05759	0.6
189.09399	1.2
190.02892	1.2
191.03656	0.6
191.07253	0.5
194.05988	0.7
203.07246	0.3
203.10849	0.5
205.05287	1.2
205.08704	3.0
206.05878	0.4
207.06633	6.6
208.07379	3.9
215.07257	0.9
217.05182	0.5
217.12477	0.8
219.06627	4.3
219.10254	0.4
220.07428	0.7
221.08174	3.3
222.08900	0.5
231.06560	1.9
231.14055	0.5
232.07562	1.2
233.08177	19.2
234.08580	1.7
245.08273	1.9
245.11806	0.6
247.09760	4.1
247.13480	0.6
248.10222	0.5
257.11914	1.2
259.13419	0.6
261.11337	6.2
261.14023	0.5
262.11935	1.0
275.09726	1.1
275.12872	28.3
276.13309	4.5
287.13058	1.4
289.10934	11.6
289.14545	5.0
290.11423	1.6
290.14691	0.6
301.11465	0.3
301.14520	2.2
303.15891	0.5
329.17645	1.0
341.17688	0.8
345.17038	0.5
353.17615	1.6
357.16919	0.6
359.18723	2.5
371.18634	49.1
372.18991	7.2
383.22321	0.4
385.20258	3.5
399.21719	1.4
414.24078	1.0
422.69827	0.3
428.21759	2.3
429.22366	0.5
479.27756	0.7
497.28818	100.0
498.29233	21.0
518.93878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3264
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
52.88468	0.2
55.94396	0.3
58.09796	0.3
71.04997	0.4
76.98621	0.3
99.08177	0.6
101.06050	0.3
123.08190	1.2
125.06100	6.1
126.06358	0.3
133.06610	0.4
136.01721	0.4
137.09708	0.3
142.90999	0.3
147.06638	0.3
152.01155	0.4
161.09735	0.7
163.04042	0.4
163.07632	0.4
166.02731	1.2
175.04034	0.5
177.09206	0.8
182.36711	0.3
189.02098	0.3
190.02704	0.4
190.09940	0.4
191.14452	0.8
193.08723	0.4
203.07141	0.4
205.05020	1.0
205.08737	2.4
208.07410	1.2
217.04990	0.3
217.08803	0.4
219.06718	0.9
219.10272	0.6
221.08220	5.5
222.08975	2.8
229.08667	0.6
231.06688	0.8
231.10252	0.6
231.13768	0.3
233.08203	5.5
234.08630	0.6
235.09781	2.0
241.59941	0.3
243.06537	0.3
243.13895	1.0
245.08238	1.4
245.15512	1.1
247.09755	11.2
248.10146	1.0
259.09735	3.8
259.12436	0.5
261.11237	0.3
261.14981	1.0
271.13425	1.3
273.11526	0.4
275.12894	2.4
276.13416	0.7
277.14340	0.7
278.04504	0.3
285.15057	0.4
287.12961	1.0
289.14453	38.5
290.14877	5.0
291.15576	0.4
301.14468	6.2
302.14914	1.2
303.12625	0.6
303.16010	6.4
304.16422	0.8
315.16092	3.0
315.19534	0.4
316.16525	0.5
317.17587	0.7
329.17517	0.5
343.15335	0.3
343.19067	0.8
345.17117	0.7
355.19220	1.5
356.19540	0.5
357.20856	1.4
358.21365	0.4
359.18558	0.3
360.19281	0.4
367.18973	0.6
371.18436	1.4
371.22363	4.7
372.22733	0.5
373.20233	2.9
385.20200	26.0
386.20578	3.4
399.21802	0.8
411.25369	1.3
413.23392	2.3
414.24084	0.4
427.24756	1.4
428.25543	3.2
429.26154	0.9
453.34073	1.4
497.32715	100.0
498.33075	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	497.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
57.03447	9.1
58.00571	1.3
58.02718	1.0
59.01383	66.6
61.98834	36.5
69.53111	10.0
71.01390	31.6
71.01704	0.5
72.01726	1.1
72.99319	2.1
73.02947	14.0
75.00883	2.1
78.95908	2.0
83.01402	7.5
85.02965	20.6
87.00902	2.2
87.04539	1.1
88.94355	1.1
88.98827	3.3
89.02431	5.4
93.03499	1.0
95.01383	1.7
95.05056	1.4
95.71435	1.1
97.02984	1.4
99.00897	5.9
99.04532	2.4
99.08188	1.6
101.02462	38.1
101.06102	2.4
106.20431	0.9
109.02969	2.0
111.00936	1.6
111.04552	1.8
111.08191	1.0
113.02469	14.8
113.06143	1.3
114.02863	1.2
121.06609	1.3
123.00943	1.0
125.02444	4.1
125.06105	0.9
131.03529	39.1
136.01700	4.9
137.02438	3.5
143.03493	2.4
151.00391	1.0
153.09200	1.1
159.03047	2.2
161.04588	11.6
163.07655	1.9
164.01216	1.1
165.01964	1.5
189.95992	1.3
190.94992	2.3
190.96741	42.5
191.05682	2.7
191.07169	41.1
191.97162	1.9
192.07570	2.6
213.15027	1.0
227.12910	2.8
267.14008	1.1
289.14355	1.2
305.19708	100.0
306.20035	9.3
349.19156	1.2
353.01999	9.1
353.12421	3.0
363.21753	1.3
395.03049	2.6
405.22717	3.4
437.23956	32.5
438.24554	4.9
497.17831	1.8
497.27420	10.0
498.27463	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	497.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.0
57.66615	2.6
71.04757	4.7
71.05088	4.8
83.05035	39.9
87.04524	40.0
99.04552	4.1
101.06126	6.3
129.28340	2.3
139.04027	8.1
141.09238	3.8
145.02998	15.6
146.03349	7.3
151.11324	4.9
165.12973	3.5
173.02580	2.4
174.02826	3.8
182.05869	6.0
207.13783	2.9
209.11841	9.1
229.46735	2.6
251.12895	33.9
252.13190	4.3
253.10789	25.4
289.21753	27.1
290.21954	5.6
290.46609	2.9
293.13892	20.1
322.14124	5.0
333.20746	3.4
337.16818	11.9
392.09589	2.5
458.25949	2.5
461.25464	100.0
462.25821	17.7
497.24438	20.5
497.32394	5.4
498.24258	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	497.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	14.8
71.72465	2.1
83.05020	7.8
85.02957	8.3
85.06601	14.7
87.04516	33.7
95.05003	2.9
99.85278	1.9
103.56146	2.1
107.05057	2.1
109.06622	2.0
111.04514	2.3
121.06593	3.1
121.73895	2.1
123.04592	2.0
123.08141	2.5
125.02393	2.2
139.11288	2.8
155.03577	2.1
165.09132	1.9
173.09752	1.8
177.88020	2.0
191.10822	2.3
237.11288	2.7
251.12929	3.0
255.28781	2.4
261.14871	2.1
265.10727	3.8
269.21140	3.8
271.17023	11.0
289.18076	4.0
293.14059	2.6
323.15060	9.4
341.21295	9.7
359.22290	100.0
360.22659	14.3
373.20288	6.1
385.20129	5.7
403.21158	11.4
417.26279	3.5
428.18512	8.9
461.25412	17.2
462.25879	4.1
497.23029	43.8
497.31335	3.9
498.23621	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	22.7
59.01370	3.4
61.98828	14.4
71.71570	2.2
85.02944	2.8
85.06598	15.6
87.04526	25.1
95.05056	1.9
109.06648	1.9
109.72160	1.3
111.04522	2.5
111.08210	1.5
121.06609	2.6
125.06133	2.6
126.51320	1.5
135.04620	1.4
145.02965	1.7
151.11229	1.4
153.09201	2.0
165.09230	2.7
177.09218	1.9
191.10704	2.1
195.06752	1.4
203.10788	2.5
219.13908	1.4
233.15564	2.1
261.14877	2.0
271.17035	6.5
273.15057	2.2
289.18011	4.4
328.35095	1.3
341.21121	6.9
359.22296	100.0
360.22565	12.5
373.20270	1.7
385.20300	15.9
386.20624	2.5
403.21219	12.6
434.79114	1.5
443.24408	1.6
461.25665	9.2
462.25861	3.5
497.23853	11.3
498.24002	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	497.2544
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
57.03447	0.3
58.11395	0.2
59.01392	0.3
61.98822	1.0
62.89552	0.2
71.72343	0.2
71.72720	0.3
79.01917	0.4
93.03481	1.0
107.05005	0.5
109.02979	0.4
117.03489	1.0
121.03006	0.5
123.04569	0.5
124.63392	0.2
125.09727	0.7
135.04529	1.0
136.01700	0.2
137.02487	0.7
145.02977	1.4
146.03319	1.2
147.04535	0.5
148.04912	0.4
149.02451	1.4
150.03217	1.0
151.04034	1.6
153.09200	0.3
159.04489	0.4
161.02444	7.6
161.06154	0.4
162.02803	0.4
163.03819	0.2
165.01929	0.4
165.05733	0.2
165.09218	0.8
167.03493	0.5
171.04486	0.3
173.02449	0.8
173.06055	0.8
174.02834	0.4
175.07678	0.3
177.01933	10.7
178.02606	1.4
179.03503	0.3
184.05220	0.3
185.06145	0.6
187.03964	0.6
187.09941	0.3
191.03506	1.4
199.07677	0.6
200.04771	0.3
201.05493	0.9
202.73282	0.3
203.07124	0.3
207.10265	0.3
209.06090	0.2
211.04013	0.4
212.04767	0.3
213.05553	0.5
217.05057	0.3
219.06601	1.2
221.08220	0.6
225.05592	0.3
227.07111	2.1
229.05029	0.5
231.10205	0.3
241.12376	0.4
242.05795	0.3
243.06589	4.7
244.07242	0.8
255.06729	0.4
255.10381	0.3
257.04544	2.6
257.07956	0.4
258.05325	1.8
258.07632	0.2
259.06161	1.3
259.13571	0.3
271.06094	73.4
272.06641	11.0
273.07202	0.6
275.09164	1.3
276.09866	0.4
277.10797	1.0
285.07718	3.7
285.14914	0.4
286.07983	0.4
289.14310	0.4
298.14130	0.3
309.07724	0.3
313.10754	0.4
325.14218	0.4
329.17834	0.3
334.14273	0.4
351.12518	0.5
358.14609	0.3
366.14224	0.5
367.14258	0.4
369.13416	8.3
370.13947	1.2
371.14920	1.6
385.16226	0.3
400.18939	0.3
403.21494	0.4
411.17798	0.8
423.20975	0.3
427.17661	3.8
428.18344	3.3
429.18872	0.7
453.26834	1.2
461.25870	0.3
497.25391	100.0
498.25763	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	497.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32279	0.2
57.03450	0.4
59.01382	4.0
61.98833	1.5
63.79531	0.2
65.00365	0.2
69.60538	1.9
71.01394	0.4
72.53236	0.2
73.02951	0.3
80.02679	3.7
83.01422	0.4
85.02980	0.5
87.04504	0.3
89.02423	0.3
93.03486	0.4
101.02459	0.5
104.02725	0.7
107.01398	0.3
108.02184	6.1
109.02474	0.2
111.04536	0.4
117.03475	0.2
131.01462	0.3
132.02193	3.1
136.01634	0.3
137.02463	0.6
145.02991	0.8
147.00879	0.4
148.01683	0.5
149.02467	0.2
151.00401	1.0
160.01669	5.7
161.02351	0.5
173.02470	0.9
176.01149	1.0
179.03529	0.6
188.01170	2.4
189.01871	0.9
191.05673	0.8
194.05809	0.4
201.01956	0.3
206.99167	0.2
207.03088	0.2
209.08192	0.7
216.00633	13.6
217.01418	21.5
218.01707	1.6
229.01328	0.4
243.02927	0.3
244.00121	34.3
245.00815	10.2
246.01346	0.6
247.99615	16.0
248.99947	1.1
258.01715	0.3
259.02515	1.3
261.00311	0.2
271.99606	13.4
273.00372	25.9
274.00867	3.1
283.13470	0.3
287.01959	100.0
288.02695	70.4
289.03091	6.3
289.14456	0.3
293.21234	0.6
332.20419	0.2
361.20343	0.3
373.15222	0.2
385.20364	0.3
455.25977	0.2
496.25708	0.4
496.71460	0.3
497.10880	0.7
497.27820	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	497.1797
Annotation	Sphenalactone C
Peak:m/z	Relative Intensity
50.71345	5.1
57.03447	9.1
59.01389	54.9
61.98835	100.0
70.20068	5.2
71.01400	32.0
73.02971	9.4
78.95934	7.1
89.02459	22.3
101.02483	14.8
109.03018	7.1
113.02457	9.4
117.48963	5.3
125.02475	21.1
131.03532	8.2
135.04541	6.8
137.02505	10.0
138.68564	5.4
149.04565	18.3
151.00298	7.6
165.02031	7.4
167.10802	52.0
186.09436	5.7
190.96753	25.8
191.05727	19.1
229.77765	6.2
273.16467	5.6
293.08530	31.0
305.19608	9.6
329.06464	75.2
353.01871	7.8
421.37549	7.7
434.11551	8.6
437.24060	8.7
497.17554	84.2
497.27606	11.7
498.18692	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66478	1.5
61.98848	2.1
64.42550	1.7
69.98930	10.3
83.04567	2.2
83.05039	23.7
87.04519	15.5
87.49069	1.6
131.60678	1.8
139.04036	21.9
151.11301	2.5
182.05885	13.3
186.05328	5.3
191.10817	2.7
207.14096	2.3
209.11835	6.5
219.17426	2.1
241.21658	1.9
251.12886	100.0
252.13286	8.7
253.10910	11.7
289.21768	3.9
293.13931	34.1
294.14294	4.0
318.55508	1.8
322.14368	8.4
333.20721	4.7
337.16721	13.8
363.21674	4.1
433.25729	5.3
459.27420	2.5
461.25433	60.0
462.25778	11.4
465.21692	4.6
497.24719	6.2
497.32721	7.4
498.33197	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	497.231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61414	2.5
57.07946	2.4
60.15180	2.9
66.47398	2.9
68.52513	2.6
71.05661	7.2
83.05032	20.5
87.04513	9.9
139.04025	23.6
152.46899	2.6
153.40729	2.4
171.09109	2.7
182.05904	15.8
186.05409	3.8
209.11769	3.3
251.12883	100.0
251.15483	5.8
252.13315	8.5
253.10786	6.7
293.13962	42.4
294.14465	4.1
322.14127	8.8
333.20816	4.4
337.16479	11.0
363.22079	4.3
406.69702	2.6
433.26068	3.7
461.25491	58.0
462.25974	11.1
472.15991	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	496.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01382	0.4
61.98831	100.0
62.98531	0.2
71.05031	0.5
72.90466	0.2
75.62910	0.2
81.03462	0.1
85.48165	0.1
93.03505	0.2
98.20614	0.5
111.04540	0.2
117.03493	0.4
118.03809	0.2
125.06106	0.2
139.11327	0.2
145.03004	0.2
161.02457	1.6
162.02872	0.9
164.66908	0.2
211.13445	0.2
229.05138	0.7
271.06195	0.2
272.06317	0.2
290.69287	0.2
299.12851	0.3
301.97458	0.2
351.21777	0.8
386.57010	0.2
411.14478	0.2
426.16666	0.2
427.16940	0.3
496.24243	4.1
497.25003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98832	34.6
64.96710	0.5
65.00334	0.8
70.73841	1.9
83.01419	0.7
86.48201	0.5
89.02451	0.4
89.36492	0.5
94.36800	0.5
98.84844	0.5
99.72452	0.4
107.01401	1.3
108.02206	0.6
109.02965	1.1
114.32095	0.4
121.02972	0.8
125.02464	1.3
135.00916	0.7
148.01714	1.2
151.00391	5.6
163.00363	1.1
178.99898	2.9
191.05507	0.7
203.03555	0.6
205.05118	1.2
211.03952	0.9
226.02730	1.7
227.03522	1.9
233.04500	1.3
243.03027	7.6
244.03598	0.7
245.04581	0.8
254.02194	1.9
255.02977	19.7
255.05740	1.0
256.03290	2.2
271.02472	47.1
272.02869	4.6
273.04062	0.6
283.02451	1.0
285.04095	1.0
299.02014	1.0
300.02765	100.0
301.03381	28.0
302.03693	2.2
370.59875	0.5
433.07764	98.1
434.08124	14.9
459.12775	0.8
460.13156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.98833	100.0
63.02404	0.4
65.00338	1.0
68.16209	0.3
69.26368	0.2
69.77380	2.0
71.01385	0.8
83.01421	0.6
89.02470	0.6
90.12741	0.3
91.31809	0.2
96.79882	0.2
101.02479	0.5
107.01403	1.3
110.26547	0.3
123.00905	0.4
124.01682	1.1
125.02465	1.6
135.04578	0.5
136.07794	0.4
139.00497	0.4
151.00401	4.4
152.01175	11.2
153.01523	0.5
154.20152	0.2
169.01431	0.4
178.99878	14.5
180.00453	1.1
191.05591	0.4
201.05562	0.4
225.05646	0.5
243.06828	0.4
259.06128	3.2
260.06488	0.4
269.04529	9.1
270.04926	0.9
271.10815	1.8
272.11227	2.6
286.04944	0.9
287.05603	2.1
306.98029	0.3
378.94589	0.3
402.38339	0.3
433.11423	23.5
434.11700	3.9
452.17505	0.4
496.16571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2756
Annotation	Ardisenone
Peak:m/z	Relative Intensity
57.03440	3.0
71.05010	0.4
71.72453	0.6
71.83507	0.4
79.01894	0.7
79.05526	0.6
99.08157	1.4
102.56464	0.4
109.02957	0.6
119.05030	1.3
121.02976	1.1
125.06133	0.9
143.07173	0.8
143.93837	0.4
145.01863	0.8
145.02975	13.9
146.03319	0.7
147.04533	2.4
149.02460	1.2
150.03143	0.7
157.06618	1.0
167.03532	0.7
173.02443	1.7
177.01950	10.3
178.02586	0.9
191.03528	1.6
194.39577	0.4
199.07776	0.5
211.07677	2.1
213.05492	0.9
225.09322	0.5
227.07155	6.8
228.07634	1.1
241.05180	3.2
242.05789	2.5
243.06636	1.2
255.06625	74.7
256.07123	10.4
257.07974	0.5
261.14886	0.6
269.08234	6.6
270.08615	0.9
285.11237	0.6
288.06363	0.6
291.14014	0.7
293.13858	0.6
317.13937	1.1
321.18661	0.9
323.12366	0.6
325.14212	1.0
335.13068	0.5
353.13968	5.5
354.14297	0.7
395.18643	12.2
396.19232	2.3
425.19666	1.8
426.20297	3.1
427.20569	0.7
451.28958	0.7
459.27380	1.2
495.27542	100.0
496.27893	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45660	0.6
57.03451	13.5
59.01382	3.1
61.98840	7.2
64.17392	0.7
68.99821	3.4
69.03458	1.5
70.03639	0.7
70.86687	0.9
70.87009	1.7
71.05025	1.9
73.02951	1.1
75.00887	1.1
79.01881	1.0
81.08504	0.7
83.01416	0.8
83.05041	8.3
85.02961	3.7
85.06599	4.4
87.04525	22.9
93.03486	1.4
95.01398	0.7
95.05032	4.9
96.09892	0.6
97.02962	2.2
97.06599	3.2
99.04530	6.4
101.03983	0.8
101.06100	9.4
107.05034	5.2
109.02989	2.3
109.06613	2.1
111.04534	31.8
111.08191	2.2
112.04863	1.3
113.06129	2.2
115.03314	0.8
115.04012	4.4
117.05585	0.7
119.05033	1.2
121.02967	1.5
121.06554	1.7
123.04568	2.4
123.08186	4.0
125.02488	2.4
125.06117	2.5
125.09760	1.8
135.02975	1.2
135.08217	1.7
137.06129	1.5
137.09760	1.4
139.04037	1.1
139.07663	7.8
141.73457	0.6
145.02989	19.3
145.05080	1.1
146.03300	1.7
147.04546	2.9
149.06091	0.8
151.00417	2.0
151.04015	1.1
151.07755	1.0
152.04794	1.4
153.02000	0.9
153.05586	1.8
153.09227	3.1
155.07219	0.8
155.10817	1.7
157.08733	25.4
161.02467	2.0
163.07616	0.9
163.11319	1.4
165.05577	2.4
165.09224	1.7
167.03407	0.8
167.07158	3.1
167.10925	1.0
169.08675	0.7
169.12312	1.5
173.02464	14.0
174.03041	1.0
175.07756	1.0
175.11375	1.0
179.03427	1.2
179.07178	8.8
179.10760	1.4
181.05130	0.9
181.08733	1.5
191.10841	3.3
193.05212	1.2
193.08742	2.5
193.12433	2.1
194.05815	0.8
195.06631	1.6
197.11798	1.0
199.07664	1.2
203.10823	1.0
205.08783	1.1
205.12320	1.1
207.06586	4.1
207.10289	1.5
209.08191	1.6
209.11780	4.7
211.13388	3.6
212.04849	0.9
212.06844	1.2
213.05563	0.8
219.10246	1.1
221.08215	20.7
222.08932	6.2
223.09772	2.0
225.11348	1.5
227.12929	3.9
229.04948	1.1
233.08145	1.7
235.09772	1.8
237.11359	2.4
246.16260	6.6
247.16956	1.4
249.11377	2.2
251.12978	1.1
253.08710	3.2
253.10883	2.4
263.12881	0.8
265.10977	1.3
267.06546	1.4
267.12421	2.6
269.13992	4.8
275.16470	1.7
277.14581	2.7
279.12402	0.8
281.08185	72.7
282.08563	8.8
285.13416	19.6
293.14063	1.5
293.17545	1.3
295.15527	0.9
303.16040	1.0
303.32550	0.9
307.15591	1.4
309.13510	3.9
309.16846	1.1
319.15628	2.3
321.13492	1.2
321.17194	2.1
323.15024	2.1
325.16650	13.1
326.17029	1.3
331.19138	1.4
337.16617	7.9
338.17075	1.1
339.14429	1.0
339.18195	2.9
355.17667	1.0
359.18445	1.0
375.18405	1.6
377.19693	1.3
381.19275	0.9
389.19797	2.2
392.20670	0.9
393.21976	1.1
396.96024	0.8
398.91064	0.8
407.20792	2.6
419.18637	9.8
420.19196	5.3
431.24420	1.2
435.18008	0.9
452.18582	2.8
460.24713	1.4
463.23511	3.4
477.24612	2.7
495.25980	100.0
496.26318	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	495.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	19.4
59.01383	22.3
61.27314	2.8
61.98836	13.0
68.99863	3.2
69.03477	5.2
70.03383	9.3
70.03800	8.7
71.05036	6.4
73.02963	5.0
79.71394	3.3
81.03465	5.2
83.01403	42.7
83.05032	5.0
85.02953	20.8
85.06599	27.0
87.04530	89.4
93.03476	4.4
94.63577	2.8
95.05052	12.5
97.02952	27.3
97.06613	7.4
98.19913	2.7
99.04543	3.5
101.06086	6.4
107.05027	4.5
109.02962	3.9
109.06615	3.6
111.04534	68.1
111.05296	3.5
111.08184	12.0
113.06139	8.4
121.02992	17.7
121.06566	3.7
122.03784	3.1
123.04511	5.0
123.08185	8.3
125.02476	4.0
125.06100	7.2
127.07684	8.4
133.06642	2.7
135.04573	4.8
135.08185	9.0
137.06061	6.3
137.09706	4.3
139.04036	3.0
139.07683	10.5
145.02940	7.5
147.08145	3.6
149.09911	3.3
151.04037	4.5
151.07620	6.5
153.09267	5.1
155.07181	36.6
155.10765	7.3
161.06151	4.0
163.11253	4.6
165.09233	18.4
165.12859	11.7
179.07141	19.2
181.12389	5.8
183.06665	3.7
191.10777	7.4
195.06650	18.1
195.10208	6.1
195.13914	6.0
205.12321	10.1
207.10201	3.7
209.11835	27.4
210.12245	5.1
211.13361	5.7
215.12914	7.5
221.08234	10.8
223.09808	6.1
223.13432	31.1
227.12900	12.2
245.15572	5.2
247.09782	4.6
253.10826	100.0
254.11208	6.9
263.09171	7.8
263.16428	4.5
265.10645	7.4
265.14642	3.5
277.14508	4.1
289.14474	3.9
293.10318	3.6
307.15445	3.6
319.15671	5.5
321.13632	3.2
321.17004	9.8
326.08182	3.2
339.08841	3.9
339.18121	34.6
345.20682	3.1
351.08810	11.1
389.19980	4.5
409.12875	6.0
419.20627	3.4
445.22522	4.3
459.23859	23.3
460.24240	4.1
463.23026	17.5
464.23694	4.0
477.25150	5.1
495.25134	61.1
496.25562	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	495.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88417	0.5
55.38749	0.5
57.03452	10.2
59.01424	1.6
61.98831	8.6
66.19845	0.5
68.58124	0.5
68.99869	1.5
71.01442	0.8
71.05063	0.5
71.72241	0.9
74.13311	0.5
75.00906	0.7
83.05085	1.5
85.03006	0.9
85.06654	1.1
87.04533	3.9
93.03503	0.5
95.05035	3.2
97.02988	0.8
97.06598	3.1
99.04578	0.7
101.04037	0.6
101.06145	2.0
107.05051	5.7
109.03008	0.7
109.06658	0.8
111.00961	0.6
111.04548	6.5
113.02509	0.8
113.06124	0.8
115.04066	0.8
119.05084	0.9
121.02970	4.2
121.06678	0.6
123.04572	0.9
123.08191	1.1
125.02497	1.4
125.06139	1.5
125.09782	0.6
135.03059	1.2
135.04564	1.2
137.02507	0.8
137.06169	1.4
139.00403	1.3
139.07700	1.4
145.02980	28.5
146.03406	2.1
147.04532	5.0
147.05437	0.5
151.00465	0.6
152.04930	0.6
153.05646	1.1
153.09242	0.6
154.99924	0.6
155.07236	0.6
157.08717	4.5
161.02533	0.5
167.07109	1.1
169.12416	0.5
171.10335	0.6
173.02469	17.5
174.02887	1.1
177.09195	0.7
178.09846	0.5
179.07204	2.1
179.10805	0.8
181.05222	0.6
183.08266	0.6
191.05669	0.6
193.08731	0.6
195.06697	0.9
197.11763	0.6
199.04088	0.8
199.07654	1.2
207.06581	0.5
207.10352	1.2
209.10124	0.5
209.11813	2.4
211.13426	2.2
212.04861	0.8
213.05635	1.5
213.09219	0.8
221.08170	3.7
222.08842	0.8
223.09750	1.2
226.06342	0.9
227.12891	0.9
237.09245	1.1
237.11363	0.7
239.07149	0.9
246.13992	0.9
246.16280	7.2
247.16965	1.0
249.11235	0.9
253.08684	3.6
255.06534	0.6
259.13437	0.7
265.10843	0.9
267.06656	1.3
268.07172	0.7
269.13937	0.9
275.12784	1.8
277.14407	0.7
281.08191	100.0
282.08527	11.5
285.13580	2.7
293.13959	19.2
294.14395	1.4
300.06274	0.9
303.12418	9.3
303.15677	0.4
304.12650	1.3
313.16647	0.5
319.15396	1.1
321.13440	47.0
322.13770	5.3
325.16403	1.6
337.16599	1.4
349.14221	0.7
359.18594	0.7
363.15906	0.8
377.19473	0.7
382.17758	2.0
393.21292	0.8
403.19193	0.7
405.17087	1.2
419.18643	14.1
420.19342	5.5
421.19678	0.5
426.17090	2.6
429.25372	0.7
435.17947	1.0
452.18402	4.1
463.22983	0.7
477.22949	1.9
495.23978	63.0
496.24277	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	495.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38904	0.7
57.03443	1.4
62.90748	0.8
69.94000	3.0
69.94415	2.3
74.38061	0.7
82.72834	0.8
84.31722	0.8
101.03983	2.4
109.03013	1.0
119.05029	3.6
145.02968	100.0
146.03288	5.9
147.04539	20.0
148.04794	1.1
151.00349	0.8
157.06636	1.3
173.02446	24.4
174.03093	3.0
177.01959	1.0
205.04866	0.8
209.47385	0.8
213.05531	1.5
226.06372	3.2
227.07115	3.0
254.05873	1.7
255.06633	7.5
256.07294	2.9
267.10291	3.4
269.08444	1.1
269.11728	1.1
295.09882	1.8
295.13379	1.3
297.07492	1.0
298.08344	0.9
323.12869	5.2
323.16635	1.9
324.13480	1.4
353.14294	1.0
354.14804	1.2
365.17630	1.1
366.14655	2.5
409.16586	26.4
409.22049	1.3
410.16904	5.8
421.20129	3.2
435.21762	3.1
463.21164	5.1
477.22931	3.1
478.23392	4.2
495.23877	53.3
496.24210	15.6
510.22571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03540	2.3
59.01187	1.1
59.01462	1.6
69.42957	2.1
69.43378	4.5
83.05128	0.6
97.06742	3.3
101.04070	0.9
109.06753	1.9
119.05056	5.1
121.03136	2.4
124.10239	0.5
125.92363	0.6
145.02974	34.1
145.06651	3.4
146.03452	1.4
149.02623	1.2
151.07773	0.9
157.06799	1.8
173.06264	1.1
183.08315	2.6
193.12332	0.7
195.06741	0.7
197.09882	0.8
207.08183	0.7
209.06224	1.0
211.07806	0.7
221.09856	1.3
225.09233	9.6
226.09676	0.9
227.07227	5.2
255.06784	2.4
265.14557	1.6
267.06586	1.0
269.08377	1.0
273.18777	0.6
275.16763	1.8
295.17139	1.2
299.16809	0.9
313.10934	2.1
317.17712	1.6
339.15918	0.8
361.18222	0.7
377.21283	3.3
378.21829	0.9
395.18500	4.0
403.19058	5.2
404.19208	0.8
405.17096	1.1
419.22485	2.5
445.20627	0.7
463.21240	100.0
464.21576	19.3
477.23151	0.9
495.23843	48.2
496.24176	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	495.2386
Annotation	Fuscaxanthone H
Peak:m/z	Relative Intensity
57.03440	1.2
68.99821	1.5
69.48904	4.6
73.24156	0.5
77.34476	0.5
79.01894	0.5
84.09599	0.5
101.03977	4.0
107.05014	0.6
109.02967	0.7
111.04510	0.9
119.05048	5.6
121.02974	4.6
123.04546	1.2
125.02435	0.7
129.03482	0.6
135.04561	0.7
137.02460	1.0
145.02969	100.0
146.03311	4.4
147.04538	54.3
148.04926	2.7
149.02469	1.3
150.03209	0.7
151.00377	0.5
157.06636	2.7
161.02379	0.5
169.06598	0.5
173.02454	53.0
174.02995	5.0
177.01918	2.2
178.02719	0.9
188.04753	1.1
199.04007	1.8
201.05571	1.2
211.07698	0.8
213.05638	3.1
213.09029	0.5
214.06085	0.5
225.05652	1.1
226.06306	4.9
227.07124	5.5
228.07776	0.8
232.03764	0.9
238.23198	0.5
241.05165	0.8
242.05777	0.8
246.05348	1.1
253.08609	1.3
254.05896	1.8
255.06616	13.3
256.07339	8.7
257.07858	0.8
263.13000	0.7
267.06436	0.5
267.07257	0.6
267.10236	6.3
268.10910	1.0
269.08002	1.2
279.13889	1.1
285.11423	4.9
293.13937	3.1
295.09882	1.1
295.13403	1.5
296.14026	1.1
297.07504	0.6
309.11288	1.3
309.14798	1.2
321.13492	1.0
323.12875	9.8
323.16327	0.6
324.13568	5.4
325.14429	10.1
326.14877	1.1
337.14368	3.1
338.15240	1.2
341.13956	0.8
343.28091	0.5
345.21030	0.5
353.13937	1.9
355.15570	1.0
365.17804	0.6
370.14020	0.5
371.14981	1.4
372.87527	0.5
373.20200	1.0
379.11807	0.6
409.16568	11.9
410.16785	2.2
421.20181	1.8
422.20502	0.6
434.24130	0.6
435.21790	1.5
463.21301	5.6
464.21503	1.0
465.23065	0.9
477.22815	3.3
478.23602	2.6
482.57614	0.5
495.23868	51.1
496.24222	10.2
510.22495	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	495.2388
Annotation	Fuscaxanthone H
Peak:m/z	Relative Intensity
57.03426	2.9
61.98829	3.4
67.76171	0.7
68.99818	0.7
70.58165	2.1
71.05052	1.4
79.05545	0.7
82.33150	0.6
83.05032	0.9
87.00012	0.6
91.63084	0.5
93.03534	0.7
97.99665	0.6
99.08162	1.2
101.03975	2.7
101.06116	1.0
107.05045	1.5
109.06583	2.0
111.04549	1.5
117.03473	0.9
119.05045	4.8
121.02145	0.6
121.02932	3.0
121.06604	0.8
123.04530	1.8
123.08247	0.7
125.02442	1.0
125.06102	3.2
125.09737	1.8
131.66707	0.6
133.06587	0.8
135.04512	0.7
137.09689	0.7
139.07643	0.7
145.02972	100.0
146.03374	4.6
147.04536	26.2
148.04897	1.4
149.09752	0.7
150.03206	0.8
151.00359	0.9
157.06602	2.8
157.08733	2.3
159.08153	0.9
161.02451	1.8
161.06108	0.7
163.07664	1.0
165.05602	3.0
173.02454	35.4
174.03191	3.2
175.11226	0.9
177.01852	1.1
177.09137	3.0
199.04059	1.3
201.09256	1.2
203.07181	0.7
204.07872	0.8
209.09932	0.8
209.11838	1.7
211.13414	4.1
213.05618	4.6
213.09247	0.9
215.07179	1.2
219.10249	9.0
220.10663	0.8
225.05583	1.0
225.09209	1.0
227.07109	0.8
228.07750	0.8
229.05055	1.3
235.09717	0.9
240.07945	0.7
241.05046	1.0
242.05782	0.8
243.06650	0.8
245.04576	2.5
245.08235	0.7
246.05334	1.4
253.08676	0.8
255.06596	10.1
256.07349	4.6
257.08176	1.8
263.12903	1.5
267.10272	1.8
269.08167	2.3
279.13824	1.6
281.08228	2.8
292.87219	0.7
293.07898	0.7
295.09839	1.0
295.13358	1.2
297.11136	0.9
309.11310	5.3
311.09198	3.8
312.09799	1.5
315.12518	1.1
323.12900	15.4
323.15891	0.6
324.13242	3.5
325.10873	1.0
325.14435	1.9
333.20749	1.3
337.14389	0.7
354.14487	0.8
365.13901	17.1
366.14505	3.6
367.19360	1.4
369.13269	1.1
377.20840	1.2
394.18085	0.8
409.16562	15.3
410.16895	2.1
421.20184	24.0
422.20541	4.1
435.22009	1.4
450.24387	0.8
463.21201	5.4
464.21716	1.3
477.22827	3.8
478.23816	2.5
494.29337	0.7
495.23907	58.7
495.29852	18.9
496.24243	10.6
496.30130	2.8
510.22491	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	495.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34996	1.1
57.03443	6.3
59.01344	3.9
61.98806	2.8
67.02731	1.1
71.05004	1.5
71.72392	1.6
71.72775	1.4
78.95903	2.5
79.01879	3.4
85.02952	1.7
95.04930	1.2
107.04997	2.1
109.02877	1.5
111.04510	5.8
119.05052	6.2
121.02969	51.6
122.03275	2.9
125.06075	1.8
135.04543	13.8
145.01881	1.4
145.02965	27.5
146.03297	2.0
147.04536	3.3
147.08307	1.3
149.02426	3.1
151.00343	1.4
151.04002	2.8
151.11304	2.3
152.99561	1.5
157.06619	12.0
161.02382	3.2
165.05576	1.6
167.07085	3.8
171.00592	3.9
173.02432	3.2
174.03165	1.6
175.07602	1.6
177.01874	4.9
181.12218	1.5
188.04678	1.9
189.01868	1.4
191.03500	2.6
191.10693	2.0
199.07773	1.9
201.05559	2.3
205.08630	1.6
209.11743	5.3
211.07599	2.0
213.05568	1.5
221.08078	1.8
223.81461	1.4
225.05496	4.6
226.06413	2.7
227.07065	2.7
227.10701	3.1
229.05072	7.7
235.06044	1.8
239.07150	1.5
240.07901	6.9
241.04970	3.5
242.05690	3.6
243.06479	4.5
247.09637	3.6
253.04979	1.7
253.10799	15.9
254.11240	2.3
255.06628	24.9
256.07123	4.2
258.05347	1.5
267.06628	7.7
268.07434	7.0
269.08063	16.9
269.11658	5.9
281.08087	3.3
285.11331	6.6
289.21674	3.5
293.13776	7.0
295.09708	2.2
309.11469	1.5
313.10803	100.0
314.11215	10.6
323.12729	4.0
327.15906	2.3
336.09866	2.2
337.10568	4.4
337.14316	13.1
337.18076	2.5
338.14734	2.9
351.12305	2.0
365.17563	3.6
371.14761	4.2
373.20020	1.6
377.17334	1.8
381.16824	4.6
391.15048	2.2
395.18649	2.1
405.17081	26.0
406.17361	5.1
409.16623	19.0
410.16910	4.1
412.49829	1.3
437.19354	1.3
461.23056	2.4
463.26428	2.4
465.22574	1.5
477.22461	4.8
478.23071	1.7
495.23682	79.3
496.23880	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.0
59.01384	37.9
61.98836	100.0
70.75742	7.6
70.76101	5.1
71.01381	9.5
76.19183	3.4
85.02946	4.4
87.04523	3.4
87.47200	3.4
88.98811	3.7
89.02457	14.5
101.02469	7.3
113.02431	4.6
121.10234	4.1
123.04546	5.1
125.02493	10.2
131.03448	5.1
149.04599	8.9
151.00377	5.9
157.55789	3.4
161.04520	3.9
165.09235	69.3
166.09555	6.2
167.03558	10.2
191.05615	15.9
249.48376	3.3
263.20502	3.4
273.20697	4.3
293.08798	14.2
303.18115	4.8
329.06424	60.3
331.06155	5.7
345.02280	3.5
375.30701	4.6
433.11450	7.2
435.22162	6.3
459.18716	6.8
495.09326	6.7
495.16324	60.4
495.25598	14.8
496.16373	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	495.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02508	0.4
57.03456	2.2
59.01370	1.1
61.98837	0.6
62.31438	0.4
68.99819	1.6
69.55920	3.4
79.01913	0.5
81.03497	0.4
83.05061	0.4
87.04530	0.9
93.03437	0.4
97.74036	0.4
101.03985	3.9
107.05038	0.7
109.02995	1.0
109.06612	0.4
111.04563	0.8
117.03466	0.4
119.05041	5.6
121.02969	7.1
121.06596	0.8
122.03767	0.4
123.00912	0.7
123.04519	0.9
123.08188	0.4
125.02473	0.5
125.06072	0.6
130.30275	0.3
135.04530	0.7
137.02448	1.3
137.06079	0.4
139.07703	0.5
140.60400	0.4
145.02974	100.0
146.03304	4.7
147.04543	41.9
148.04889	2.6
148.88084	0.4
149.02473	1.6
150.03239	1.5
151.00403	0.6
151.04008	0.7
151.07588	0.4
157.06624	2.7
160.05240	0.4
161.02509	0.6
163.11302	0.5
165.12883	0.4
172.00366	0.4
173.02458	46.3
174.03003	3.6
177.01982	3.0
178.02754	1.3
185.06026	0.4
188.04782	2.1
199.04044	1.7
200.04810	0.9
201.05614	0.8
207.10252	0.6
209.11876	1.1
211.13339	0.4
213.05556	3.3
215.07074	0.6
216.04262	1.2
222.08995	0.5
225.05655	1.7
225.09076	0.4
226.06364	4.3
227.07164	5.1
228.04391	0.9
228.07825	1.1
229.05020	1.0
232.03737	1.2
235.09862	0.6
239.07207	0.6
240.07913	0.5
241.05009	0.9
241.12381	1.0
243.06532	0.9
243.13737	0.5
246.05304	0.9
253.08638	0.8
253.10918	1.2
254.05882	2.2
254.08800	0.5
255.06633	15.6
256.07367	10.2
257.07822	1.0
257.11716	0.6
261.14975	0.7
263.12946	1.0
267.02890	0.6
267.07254	0.7
267.10236	5.1
268.10800	0.8
269.08240	1.0
269.11938	1.0
279.14069	0.9
281.08337	1.2
281.11740	0.8
282.01617	0.6
285.11349	11.7
286.11688	1.4
288.06201	0.5
293.13928	10.3
294.14453	1.0
295.02505	4.6
295.10349	0.6
295.13293	2.0
296.13995	0.9
303.12393	0.7
307.02481	8.8
308.02936	0.7
309.11359	0.8
309.14999	0.7
318.05832	0.4
321.13422	5.8
323.12878	13.0
323.15793	0.6
324.13550	5.6
325.14395	8.9
326.14853	0.9
331.06073	1.0
333.07782	1.6
337.14447	3.4
338.15311	0.9
341.13785	0.5
347.05576	0.9
351.16290	0.4
353.06613	1.1
353.14047	1.3
354.14484	0.6
355.15494	0.5
365.06699	2.9
365.17673	0.9
371.07788	6.7
371.15024	4.8
372.08054	0.4
372.15225	0.8
373.20056	1.1
376.27975	0.4
379.12152	0.6
382.18024	0.5
383.07736	11.1
383.12582	0.7
384.08038	1.6
391.11740	0.7
394.14343	0.7
407.11020	0.5
409.12711	2.6
409.17123	8.9
410.17032	1.6
421.20154	1.6
425.12363	0.7
426.13101	28.5
427.13467	3.6
435.17105	0.6
435.21906	1.2
456.52661	0.4
458.11984	0.4
463.21198	7.4
464.21738	1.1
465.22696	0.9
477.22699	2.6
478.23486	3.8
494.28671	1.1
495.23901	68.8
496.24341	12.3
510.22723	2.3
511.22672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
58.00587	1.3
59.01382	20.5
61.98833	27.9
65.74142	0.3
69.63492	0.8
69.63901	1.8
71.01389	12.8
72.99317	1.0
73.02946	0.9
80.05062	1.0
83.01401	0.8
83.05013	0.4
85.02966	2.4
87.00869	1.0
87.04537	0.6
88.98827	0.4
89.02457	9.0
93.03491	0.3
95.01385	1.0
96.96019	3.0
98.19880	0.7
99.00900	0.6
101.02461	6.4
104.05089	0.4
108.04572	8.5
109.17444	0.4
113.02453	3.8
119.03523	3.9
121.05326	1.1
122.06149	1.1
125.02440	1.1
132.04607	0.7
135.04498	0.4
136.07700	13.2
137.02333	0.3
137.08031	0.7
138.05643	1.4
143.03506	0.6
147.03333	1.6
148.04039	0.9
149.04648	0.5
150.05551	0.7
151.00360	1.5
152.01181	3.7
162.05635	5.1
165.09312	0.7
165.12871	0.4
166.05157	0.5
170.35324	0.4
178.99883	4.1
184.06279	0.4
184.11246	0.4
188.07233	0.5
191.05647	1.2
197.07211	0.5
198.08006	0.5
200.05956	0.6
200.10909	0.5
202.12428	0.8
209.11850	4.7
212.09494	0.5
213.06631	2.5
214.07323	0.8
216.06621	0.6
227.08252	0.9
227.12025	1.2
228.08913	0.8
229.09741	1.9
231.11282	0.5
238.07466	2.0
241.06108	1.5
242.06926	1.4
242.10587	0.5
243.11325	2.1
253.09750	4.3
254.10455	0.9
255.07793	0.8
255.11345	1.2
256.08493	1.9
259.06131	1.0
269.04587	2.6
270.10065	1.2
271.10864	100.0
272.11203	10.9
273.17130	0.4
286.04678	0.4
287.05414	0.5
293.08844	0.4
315.09772	1.0
407.20346	0.4
408.16678	0.6
433.11395	7.9
433.16278	0.8
451.17151	6.5
452.17612	1.0
459.18759	1.1
495.16174	11.7
495.26074	1.0
496.16626	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	493.3325
Annotation	Auricularine
Peak:m/z	Relative Intensity
51.24756	0.3
64.64886	0.2
70.73091	0.3
98.19842	0.6
101.32436	0.3
107.05036	0.6
111.04534	4.0
123.04535	2.4
123.08181	0.8
147.11415	0.3
150.03310	0.4
151.04022	9.9
152.04419	0.4
159.01230	0.3
166.02690	0.9
177.01964	1.8
177.05730	0.5
177.09270	1.5
179.03581	0.7
180.04282	0.8
182.18454	0.3
193.05089	0.5
193.08711	2.5
203.07135	5.4
204.07495	0.4
207.06645	0.4
208.07413	3.9
209.08060	1.5
219.06628	1.5
221.08200	74.7
222.08710	8.0
233.08202	4.9
234.08746	0.6
247.09697	2.9
248.10440	0.7
249.11267	0.6
257.15405	1.3
261.11331	0.4
264.09845	0.3
279.15732	0.4
289.14569	0.3
301.14484	8.6
302.14899	0.6
325.25482	0.4
341.17450	0.5
365.24902	0.4
381.20667	2.7
382.20682	0.5
383.21811	0.4
409.23856	3.1
410.24237	0.8
423.25458	0.5
449.34283	1.9
493.33231	100.0
494.33569	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	494.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69547	0.1
59.01381	0.7
61.98835	100.0
62.98530	0.2
71.15105	0.4
77.05434	0.2
83.57619	0.1
92.65488	0.1
98.19979	0.2
113.02454	0.1
135.04597	0.3
165.46941	0.2
179.03517	0.2
185.06032	0.2
187.04057	0.2
191.05676	0.5
196.85979	0.1
213.05511	0.2
227.01276	0.3
227.03517	5.1
228.03885	0.5
229.05040	0.7
241.05031	0.2
255.02994	7.6
256.03571	1.3
257.04547	0.4
269.14014	0.5
274.63678	0.2
284.03265	8.9
285.04025	8.8
286.04477	0.6
353.08780	0.2
365.62381	0.2
373.47757	0.1
431.09860	19.4
432.10144	3.1
433.24301	0.3
434.24930	0.3
475.16183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1525
Annotation	Paeonin C
Peak:m/z	Relative Intensity
57.03458	0.4
59.01376	1.8
60.99317	0.4
69.03453	0.5
69.54623	1.7
69.55035	0.6
71.01395	1.3
73.02930	0.7
85.01022	2.3
85.02959	3.7
86.75226	0.3
87.00883	0.8
88.98807	2.0
89.02457	0.9
90.84570	0.2
93.03473	2.6
95.01359	0.4
99.04532	0.9
101.02477	0.3
103.86540	0.2
108.02189	0.5
109.02995	0.5
111.04511	1.6
113.02483	1.3
115.02124	0.8
121.80309	0.2
123.04541	0.4
125.02419	0.3
127.02128	0.4
127.04060	0.5
127.07618	0.3
133.49513	0.2
137.02466	0.8
137.15669	0.2
141.03648	0.3
141.57155	0.2
143.03484	0.6
145.03197	0.5
152.01086	0.3
153.01773	0.4
155.05257	0.4
157.03067	0.3
158.89273	0.3
159.04723	0.9
163.04002	0.3
164.07176	0.5
165.07558	0.3
167.03513	1.1
168.03862	0.5
171.06622	0.4
173.04556	1.5
182.85529	0.2
187.04214	0.4
191.05627	22.2
192.05933	1.6
199.04179	2.0
205.05342	0.3
208.71069	0.3
216.05661	0.2
217.05235	8.2
218.05634	0.7
259.06305	1.4
267.42538	0.2
275.97342	0.3
287.05872	1.9
287.08762	0.3
288.06512	0.7
289.07275	1.1
300.06552	0.3
301.07523	1.4
303.08795	0.4
315.08914	2.3
319.08554	0.7
320.05649	1.2
321.06268	0.3
321.09897	1.2
333.09985	1.1
361.09698	0.4
375.11090	0.8
379.10541	1.9
495.15271	100.0
496.15582	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	493.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03432	1.1
58.00584	0.9
59.01382	15.9
61.98514	0.4
61.98831	7.1
69.03461	0.3
69.58561	0.6
69.58966	2.0
71.01386	10.8
71.53987	0.2
72.99308	1.0
73.02948	2.3
73.59077	0.3
75.00874	0.6
76.71541	0.3
83.01392	1.3
85.02967	3.5
87.00877	1.1
87.04537	2.3
88.98781	0.6
89.02453	6.4
95.01408	1.1
95.05045	0.4
97.02970	0.3
99.00871	0.8
101.02459	7.2
109.02970	0.4
111.04519	0.4
113.02477	4.1
119.03533	1.6
123.04558	0.5
125.02451	0.5
127.11314	0.9
135.04562	0.4
137.06110	0.3
143.10800	0.3
151.00436	0.4
155.10782	1.1
157.12375	1.2
163.04025	0.3
171.10278	2.1
177.01967	1.7
187.13304	0.3
189.01837	0.3
191.05594	0.5
201.11195	0.4
233.04677	0.4
243.02979	4.1
244.03462	0.5
245.04579	1.7
271.19183	0.7
277.21741	0.4
291.12561	0.3
293.09155	0.3
293.14093	0.4
295.22696	1.7
311.22235	0.5
313.23825	12.9
314.24191	1.4
323.05457	0.8
329.23416	2.6
331.24905	30.6
332.25296	4.4
333.17111	0.3
341.06735	0.7
345.17062	0.5
355.25238	0.4
373.16620	1.6
450.20450	0.5
451.10666	0.7
461.21765	5.9
462.22025	0.9
475.29041	1.0
493.17798	2.6
493.24637	6.0
493.30231	100.0
494.18604	0.5
494.24634	1.2
494.30560	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	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.13337	0.2
57.03452	1.2
58.00591	0.9
59.01382	16.9
59.49930	0.2
61.98831	4.8
67.11053	0.2
69.03458	0.2
69.53795	0.5
69.54198	1.7
71.01388	11.2
71.05024	0.8
72.99306	1.1
73.02956	1.8
75.00860	0.5
83.01412	1.5
85.02959	4.2
85.06567	0.3
87.00883	1.1
87.04538	0.5
88.98815	0.3
89.02460	5.9
95.01414	0.8
95.42277	0.2
97.02956	0.3
97.06580	0.2
99.00883	0.6
101.02455	7.4
110.42956	0.3
111.00892	0.4
111.04552	0.5
111.08193	0.3
113.02467	3.9
119.03516	1.9
123.08162	0.3
125.02460	0.5
127.11332	1.5
143.10802	0.4
151.04077	0.5
152.00749	0.3
155.10822	0.9
157.12358	1.0
161.04521	0.4
171.10303	2.4
201.11423	0.5
207.06621	0.3
221.08231	0.4
227.16534	1.3
237.18555	0.6
271.19095	0.8
295.22934	1.9
311.22244	0.4
313.23862	11.0
314.24136	1.6
321.13580	0.3
322.14175	0.7
323.14792	0.7
329.23337	2.4
330.23605	0.4
331.24915	29.0
332.21548	0.5
332.25244	3.9
475.28778	0.5
493.24817	4.2
493.30197	100.0
494.30530	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2808
Annotation	Herkesterone
Peak:m/z	Relative Intensity
57.03445	6.1
59.01376	8.5
61.98833	10.9
68.99848	0.8
69.03460	0.9
71.01391	1.6
71.05013	2.0
73.02963	1.4
78.95925	0.8
83.05044	2.4
85.02962	1.9
85.06605	3.7
85.52514	0.8
87.04517	8.2
89.02457	1.4
95.01397	0.7
95.05049	3.2
95.64183	0.7
97.02967	2.2
97.06617	1.4
98.19892	1.5
99.04588	1.0
101.02529	0.8
101.06097	91.7
102.06438	2.3
107.05057	1.1
109.02946	0.9
109.06607	1.8
111.04542	11.9
111.08186	0.9
113.02478	1.1
113.06113	1.7
121.03017	0.8
121.06615	2.0
123.04532	2.0
123.08167	2.0
124.01691	0.9
124.05342	1.5
125.02461	2.3
125.06086	4.6
127.03993	0.9
127.07658	1.2
135.04597	1.5
135.08171	1.5
137.06068	3.9
137.09709	1.0
139.03990	1.3
139.07690	3.7
141.09248	1.8
145.06631	0.9
147.04510	0.9
149.09625	1.0
151.00417	2.5
151.04037	1.7
151.07782	0.9
153.09279	1.0
155.07141	1.4
157.08778	1.4
163.04039	2.6
163.07680	1.1
165.05553	1.3
165.09203	0.8
167.03596	0.8
175.03838	0.7
176.04794	1.4
177.05582	1.1
179.05704	0.8
179.07155	2.2
179.10851	0.8
181.05151	1.2
181.08745	2.4
182.05505	0.9
183.06662	5.4
189.05597	14.1
190.06180	1.7
191.10834	1.2
193.08633	1.3
193.12363	1.4
195.06624	5.6
195.10315	1.3
197.08253	3.0
197.11710	0.7
205.12386	0.7
207.06674	3.9
207.10162	1.7
207.13974	0.9
208.07397	0.9
209.08228	2.8
209.11877	2.8
210.05315	0.7
219.10257	2.3
221.08180	1.6
222.08955	1.3
223.09747	1.4
225.11206	0.8
227.12971	1.5
231.10271	1.7
233.11899	1.2
235.09691	2.1
237.07663	0.9
239.17039	0.8
247.09625	0.9
247.13445	1.0
248.10535	26.8
248.29190	0.8
249.10942	2.3
251.09247	1.1
253.10704	1.5
261.11346	0.9
265.14490	2.1
275.09604	0.9
280.09698	0.9
282.10632	1.3
283.10773	1.2
285.15103	1.2
291.16083	2.0
299.01974	0.8
299.12982	0.9
303.16040	2.5
309.17114	4.1
313.18002	1.2
319.15509	0.8
319.19040	1.3
321.17093	1.9
323.15131	1.0
331.19092	3.2
335.18646	1.5
337.16510	1.9
340.14352	1.0
349.16577	1.1
349.20313	1.2
359.18839	2.6
363.18256	0.9
373.20212	37.3
374.20596	5.0
375.18011	1.5
381.19131	0.9
391.17014	1.4
391.21414	15.9
392.21558	2.2
413.22498	0.8
449.25650	1.4
461.21542	4.7
462.21960	1.2
475.27676	0.9
493.28644	100.0
494.28882	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	493.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03285	2.6
57.03612	2.9
59.01208	1.7
59.01550	1.8
67.11475	0.4
70.29055	2.0
71.04875	1.0
71.05227	0.8
87.04377	0.8
95.04856	0.6
97.06368	6.5
97.07074	1.7
99.07945	5.6
99.08669	1.6
101.05863	3.9
109.06419	0.6
111.04284	2.9
113.05901	0.6
117.80170	0.4
121.06435	1.1
123.04283	1.4
123.07956	1.2
125.05841	15.7
125.06855	2.7
125.07408	0.7
125.09493	5.0
125.10505	0.8
125.77950	0.5
126.06286	0.7
135.07979	1.0
137.05869	0.6
137.09497	1.4
137.10475	0.6
139.03836	0.7
151.11151	0.7
161.09605	0.5
163.11075	0.6
178.09724	0.5
179.10564	0.6
191.14069	0.6
193.12068	0.5
204.09648	0.5
205.12326	3.6
207.10277	9.4
207.13547	0.7
208.10344	0.6
209.11554	1.2
211.13191	1.1
217.12079	1.8
219.13724	1.4
221.08000	1.0
222.08740	0.7
233.11676	0.5
233.15164	0.8
235.09789	3.6
243.13495	1.6
249.11041	1.3
253.10483	1.5
261.14774	0.7
266.58173	0.5
279.15784	0.6
279.28183	0.5
289.14078	0.5
291.19470	1.5
293.21216	2.7
295.15240	0.5
301.18042	1.0
317.17337	1.6
317.20798	0.9
319.15363	1.0
333.16861	1.6
335.18408	1.2
337.20148	1.3
340.02893	0.6
353.19315	1.2
357.24197	0.9
359.22369	3.2
361.16577	3.4
375.25516	6.3
391.21246	0.7
392.22672	0.6
393.22818	2.6
401.19141	0.7
417.26633	7.2
418.26913	1.1
421.03607	0.5
461.25449	100.0
462.25845	17.6
475.26892	1.8
476.28076	0.6
493.28128	79.0
494.28476	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	493.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85460	0.3
53.04458	0.4
53.30069	0.3
54.87266	0.3
57.03334	2.7
57.03654	1.0
59.01275	0.5
67.42365	0.3
69.77160	2.7
71.04909	0.9
71.05260	0.5
77.37910	0.3
79.05446	0.6
79.18689	0.4
95.04933	0.5
97.06454	9.4
97.07140	1.0
98.06837	0.4
98.19943	0.7
99.08012	4.0
100.83941	0.4
101.05946	2.3
105.06976	0.4
111.04370	1.0
121.06439	1.2
123.04356	1.1
123.08016	1.1
125.05933	17.1
125.06937	1.3
125.09567	9.2
126.06348	0.8
126.09959	0.5
135.08064	0.8
137.09569	1.6
147.08022	0.3
148.75386	0.3
149.09625	0.4
151.03897	0.5
151.07623	0.4
151.11214	0.5
153.09163	0.4
163.11151	0.8
177.12808	1.7
181.12180	0.4
189.09047	0.8
191.10622	0.4
193.12260	0.7
201.88980	0.3
205.12361	6.2
207.10284	6.3
207.13788	0.9
208.10492	0.6
211.13298	0.6
215.14317	0.4
217.12077	0.5
217.15773	1.0
219.13676	0.6
221.08072	0.5
233.11676	0.6
235.09746	4.8
235.16949	0.4
236.10104	0.6
243.13696	0.9
249.11143	1.4
261.11111	0.4
263.12888	0.4
291.19464	0.7
291.34366	0.3
293.17371	1.2
293.21069	1.9
293.34500	0.4
301.17914	1.0
305.13962	0.5
305.17374	0.5
317.21158	0.4
319.15408	0.6
333.16965	0.6
333.20670	0.5
335.18536	1.4
337.20129	1.0
347.14713	0.5
359.18393	0.6
359.22156	2.5
361.16504	2.6
363.17999	1.0
375.25366	4.5
376.25592	0.7
390.52881	0.4
391.21121	0.4
393.22708	3.7
394.23099	0.4
401.23764	0.5
417.26666	4.6
418.26840	0.7
461.25461	100.0
462.25797	16.6
475.27148	0.9
493.28128	76.6
494.28470	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	493.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70571	0.4
54.13728	0.4
57.03451	7.1
59.01377	0.9
69.03452	1.1
69.76643	1.5
69.77071	1.4
71.05024	1.3
79.05584	0.5
83.05031	1.7
84.06923	0.5
85.02956	5.1
85.06605	0.8
87.00862	0.5
87.14651	0.4
95.01447	0.5
95.05033	0.9
97.02981	0.6
97.06636	0.6
98.20566	0.8
99.08178	3.4
101.06105	1.6
106.39535	0.4
107.05024	0.8
109.06626	1.0
111.04546	2.9
119.22858	0.4
121.02961	0.8
123.04570	1.0
123.08183	0.9
123.26063	0.5
125.06100	13.8
125.07015	0.9
125.09750	1.7
126.06467	0.9
127.07675	0.7
133.06636	1.0
137.02454	0.6
137.09738	1.3
139.04083	0.4
145.02997	0.7
151.00452	0.8
151.04016	1.5
151.07683	0.6
151.11293	0.8
152.04726	0.6
153.05545	0.7
153.09244	0.6
161.09743	1.0
163.07652	0.6
165.05573	0.7
165.40758	0.4
169.08722	5.0
173.09688	0.5
177.09201	2.0
177.12808	0.6
178.06464	0.4
179.03571	1.6
179.07187	0.7
179.10815	1.6
180.04265	1.2
180.07893	0.8
195.06662	4.4
195.10422	0.5
203.10849	0.5
205.08708	0.8
207.06627	0.6
207.10291	0.5
208.07399	3.2
209.08179	0.7
212.06924	1.7
217.12328	1.6
221.11902	0.6
223.09767	0.9
229.12337	1.9
230.13081	0.6
231.10098	0.4
233.08127	0.7
235.09760	13.2
236.10506	3.8
247.13431	1.6
249.11401	1.0
253.10931	0.5
255.06784	0.6
255.11320	0.6
263.12854	0.5
279.23386	1.0
281.13870	1.7
287.16577	3.3
291.15894	0.7
294.14188	0.5
294.40012	0.4
303.19489	1.0
312.77991	0.4
321.20642	0.5
323.18756	0.5
331.15588	0.5
333.16895	0.5
337.16437	0.8
345.20840	2.1
347.18597	1.5
363.21829	8.6
364.22107	1.5
365.19705	100.0
366.20068	13.5
366.24631	0.8
374.21088	5.8
375.21716	4.1
376.22156	1.0
379.21512	0.7
407.20764	11.6
408.21454	3.5
417.22809	6.6
418.22839	0.9
449.28912	1.5
457.25876	1.0
461.25415	1.0
493.28076	13.0
494.28198	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	493.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23787	0.9
54.49198	0.8
57.03451	14.2
57.25618	0.8
59.01375	2.5
68.99821	6.1
69.03455	1.7
70.27829	4.4
71.05017	2.2
79.05528	1.2
81.03442	1.3
83.05021	4.8
83.29214	0.8
83.56236	0.8
85.02955	1.1
85.06597	4.5
87.04540	7.1
93.03443	1.0
95.05045	5.4
96.02230	0.9
96.35899	0.9
97.02969	2.1
97.06606	10.8
98.19897	1.0
99.08186	4.7
99.08745	0.9
101.06080	6.7
107.05025	2.1
109.02962	8.8
109.06599	3.5
111.04536	100.0
112.04876	3.4
113.06100	19.9
120.05877	0.9
121.06635	4.0
123.04568	5.4
123.08185	10.9
125.02525	0.9
125.06113	19.5
125.09742	8.4
126.06453	1.0
133.06631	1.6
135.04588	1.1
135.08206	4.4
137.02464	1.5
137.06076	3.7
137.09750	2.1
139.03992	1.8
139.07669	2.1
139.98137	0.9
147.08133	1.2
149.06068	2.8
151.04001	3.7
151.07687	2.9
153.05595	3.5
153.09184	1.7
154.96001	0.9
157.08629	0.9
163.07655	5.3
163.11331	1.2
164.08420	3.1
165.05586	10.4
165.09244	4.6
165.12923	2.1
167.07130	1.2
167.10783	1.2
173.09892	1.0
175.07689	1.0
175.11307	1.0
177.05560	1.7
177.09128	1.0
179.07164	57.7
180.07602	2.7
181.05049	1.1
181.08757	8.4
189.09207	1.4
191.03639	0.9
191.07167	3.7
191.10788	4.8
192.07889	1.2
193.05080	2.5
193.08704	3.8
193.12288	2.0
194.05846	2.1
195.06610	4.5
198.05290	1.0
203.10735	1.2
205.05083	3.0
205.08664	1.6
205.12383	5.7
206.09476	1.0
207.06653	19.9
207.10275	8.5
207.13988	1.1
208.07419	16.5
208.10701	1.2
209.08174	5.4
209.11832	3.5
211.13412	1.7
212.06929	11.2
217.12318	1.5
217.15955	1.6
219.06653	1.4
219.10251	3.6
220.10933	1.3
221.08218	30.5
221.11800	2.9
222.08694	3.4
223.09724	2.8
225.11214	1.0
231.10199	2.2
233.08336	2.2
233.11900	4.9
233.15419	1.0
235.09769	11.4
236.10500	7.9
237.11325	4.8
243.13936	1.5
245.11885	1.5
247.09714	1.5
247.13289	1.4
249.11296	12.8
250.11859	1.1
255.06709	1.0
261.11429	1.5
261.14902	1.9
263.09314	6.0
263.12811	3.1
264.10010	5.6
265.10727	14.7
266.11224	0.9
275.12598	1.1
276.13568	1.0
277.10873	1.8
277.14343	1.7
278.11511	2.0
278.15085	1.7
279.15784	1.0
283.13428	2.6
289.17990	1.6
291.12299	3.4
291.19464	1.1
293.21045	1.2
301.14441	3.9
303.16025	2.6
305.13937	2.0
306.14700	1.2
307.15604	1.4
310.10474	1.2
319.15527	66.3
320.15829	7.6
321.16888	4.4
331.15427	1.6
331.19138	3.0
333.17032	1.8
337.16547	8.3
345.20471	1.1
346.17517	1.0
347.15494	4.3
347.18179	4.2
348.15723	1.2
350.29120	1.0
352.15356	2.4
359.18408	1.6
359.22385	2.2
361.16479	8.9
362.16992	1.5
363.18152	3.2
372.19299	1.7
373.20041	3.9
374.20920	8.6
375.18030	26.3
375.25623	3.1
376.18512	3.3
389.19653	3.2
390.20404	4.0
391.21259	3.0
392.22034	1.6
393.22855	3.0
400.18768	1.7
403.17627	3.8
417.19171	3.0
417.26657	4.8
418.19897	2.6
461.25510	69.5
462.25809	12.4
475.26999	2.0
493.28696	73.8
494.28922	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	493.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.1
59.01361	1.3
61.98828	0.4
68.99800	1.9
71.05000	1.5
72.02834	0.4
81.03450	2.2
83.05027	2.5
85.02970	0.8
85.06590	3.1
86.49503	0.5
87.04525	5.1
93.03461	0.7
95.05041	5.0
97.02960	0.7
97.06590	2.6
99.08192	0.5
101.06064	1.9
107.05022	1.5
109.02956	1.3
109.06610	6.3
111.04533	49.5
111.08115	1.2
112.04832	1.4
113.06109	2.6
121.02945	0.7
121.06608	4.6
122.03696	0.9
123.04520	2.8
123.08186	4.1
124.05241	0.5
125.06085	3.5
127.07641	0.8
133.06596	1.0
135.04492	0.7
135.08145	2.0
137.06047	1.4
137.09682	1.6
139.07701	2.8
139.11238	1.1
141.05554	1.6
141.09212	0.8
147.08130	1.0
149.06042	1.4
149.09746	2.7
151.03981	0.9
151.07596	1.7
151.11299	0.8
151.32642	0.5
153.09140	2.6
157.08682	1.2
161.09673	1.6
163.07619	1.6
163.11168	0.8
164.08386	0.8
165.05582	2.9
165.09245	5.7
167.05991	0.6
167.07166	6.2
167.10721	1.4
167.99352	0.5
173.06035	0.5
173.09747	0.6
175.04005	0.7
175.07610	1.0
175.11270	1.0
177.05551	0.5
177.09145	1.9
178.06305	0.6
179.07147	9.1
179.10622	1.3
180.07579	0.6
181.08655	2.0
187.11252	0.9
189.09270	1.0
189.12880	1.1
191.07187	2.5
191.10785	2.8
192.07909	1.3
193.08716	5.2
195.06494	0.7
195.10332	0.6
203.10753	1.9
205.04907	0.9
205.08783	1.2
205.12303	2.1
206.09424	1.8
207.06639	0.6
207.10196	2.3
207.13811	0.9
208.07263	0.7
209.08173	0.9
209.11862	6.0
211.09641	1.2
212.06868	0.6
215.10721	0.7
217.08710	0.6
217.12379	1.3
218.09531	0.5
219.06615	1.1
219.10197	2.0
219.13953	1.0
221.08264	2.9
221.15395	0.6
222.08841	1.2
223.09613	1.7
227.12665	0.6
231.10193	0.8
231.13776	1.0
233.08072	2.1
233.11836	6.2
234.08763	0.8
235.09755	2.9
235.13383	1.0
236.10095	0.7
245.08122	1.2
245.11708	1.2
245.15405	1.0
246.08801	1.0
247.09689	5.8
247.12224	0.6
247.13318	0.9
248.10020	1.0
249.11153	0.9
249.14819	0.6
251.12747	1.8
259.09515	0.6
261.11182	2.0
261.14877	1.1
263.12732	0.8
263.16235	0.7
268.27399	0.5
275.09109	1.0
275.12775	2.5
277.14322	0.8
283.15805	0.6
287.13004	0.8
287.16223	0.8
289.10718	2.5
289.14413	1.4
291.12283	1.1
295.15323	2.3
303.12268	6.1
303.15918	3.1
303.19421	1.0
304.12787	0.7
305.13828	2.0
305.17255	1.0
307.15417	0.7
317.13956	0.9
317.17398	1.3
319.15460	1.5
321.17017	0.8
323.14813	0.7
337.16519	1.6
345.17114	1.2
347.18533	1.5
353.19543	1.4
359.18488	1.0
361.16479	5.3
373.16034	0.7
373.20331	3.6
387.18204	4.2
388.18411	0.7
389.19110	0.8
401.19653	7.6
402.19815	1.9
416.21964	4.7
417.22388	2.0
429.19153	3.5
430.19379	0.9
431.20428	1.6
441.22470	1.6
443.24774	12.9
444.25134	2.7
459.23856	59.7
460.24258	10.3
461.21777	28.4
462.22092	4.9
475.23273	0.6
493.24237	100.0
494.24588	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	493.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79675	1.8
55.01885	2.5
57.03450	42.6
66.35072	1.9
68.99805	5.1
69.03476	2.7
71.05033	4.2
71.70840	2.5
79.05556	3.5
81.03487	4.0
83.05036	12.2
85.02956	6.6
85.06602	100.0
86.06928	2.6
87.04529	38.0
95.05037	19.9
97.02934	4.2
97.06610	8.1
105.17772	2.2
107.05009	12.1
108.02183	3.4
109.02974	16.1
109.06616	4.3
111.04533	70.2
111.08167	7.9
113.06119	2.6
121.06601	7.1
122.03765	5.9
123.04565	9.8
123.08174	15.8
125.06092	6.1
135.04575	2.8
135.08195	12.6
137.06100	9.9
137.09729	9.6
139.07677	5.2
147.08153	3.2
149.02411	2.5
149.06105	4.5
149.09724	3.2
151.07645	3.2
153.09209	6.7
161.09708	2.2
163.07596	2.5
163.11343	3.6
164.08344	3.8
165.05592	16.9
165.06918	2.8
165.09241	59.9
165.12892	6.6
166.09477	3.0
175.07655	4.4
178.06342	2.9
179.07137	16.2
179.10881	2.5
181.12274	3.3
183.29251	1.9
187.11169	2.2
191.07111	5.2
191.10846	3.4
193.08728	32.8
193.12384	2.2
194.09067	3.5
195.10289	10.8
203.42213	2.4
205.08701	6.3
205.12350	16.0
207.10266	16.9
207.13824	5.8
209.11862	19.7
212.06877	6.2
215.10965	2.5
217.08580	2.6
217.12469	2.4
219.10266	8.8
221.11845	4.3
223.13419	12.2
225.11386	4.2
231.10120	2.4
233.11731	8.4
234.12485	2.1
235.09795	10.9
235.13326	3.4
247.09656	4.4
251.09204	2.7
253.10754	13.6
262.11938	2.2
263.12881	12.9
275.12750	4.3
277.14441	7.6
279.15973	3.9
289.14499	2.4
291.15979	27.6
292.16193	2.1
293.17618	25.9
303.12296	3.0
303.15857	4.3
305.17212	2.6
331.18982	2.3
333.17065	6.4
337.16516	14.5
345.16827	2.9
347.18661	7.5
359.18747	3.5
373.20361	7.5
375.21732	2.6
387.18094	3.8
389.23373	3.0
399.21848	2.6
401.19623	4.0
415.25351	2.7
417.22882	65.0
418.23337	12.0
429.19125	3.0
457.92648	2.2
459.24042	11.2
461.21841	16.2
493.24380	48.0
494.24750	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	493.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08868	2.2
55.01863	2.4
57.03450	27.9
59.01347	4.4
61.92981	2.3
61.98787	2.0
67.05505	2.0
67.65155	2.1
68.99786	5.0
69.03432	4.8
71.04994	4.7
71.42442	4.2
79.05546	2.4
81.03404	3.7
83.05034	14.1
83.05434	3.2
85.02927	3.6
85.06599	49.1
87.04530	22.6
95.01365	2.9
95.05019	14.1
97.06586	10.0
101.06059	4.8
107.04957	6.9
109.02914	6.3
109.06551	8.0
111.04536	100.0
111.08116	4.9
113.06039	5.2
121.06522	6.7
122.03709	2.5
123.04565	12.3
123.08170	12.9
125.06046	7.5
135.00893	3.0
135.04507	2.3
135.08183	11.4
137.05994	5.9
137.09666	6.0
139.07558	6.0
147.08139	2.4
149.06035	5.6
149.09665	2.6
151.03864	2.9
151.07596	4.8
153.09229	17.5
163.07542	6.8
163.11243	4.7
165.05588	24.0
165.09224	24.4
166.09479	2.8
167.07074	5.5
173.09793	2.0
175.07579	4.9
177.09192	2.5
177.12733	2.2
178.06302	2.1
179.07146	25.1
179.10611	2.0
180.43675	1.8
191.07132	4.8
191.10686	6.9
193.08720	43.3
194.09013	3.3
195.06503	3.2
195.10191	3.3
196.89035	2.3
198.05190	2.2
200.37424	1.9
205.08516	6.2
205.12158	7.4
206.09406	3.5
207.06607	2.7
207.10124	9.3
209.11694	8.9
211.13388	2.2
212.05112	1.8
212.06912	18.1
217.08597	2.3
217.12184	2.6
219.10126	9.0
221.08076	5.3
221.11682	3.5
223.09566	2.8
223.13245	5.9
225.11290	4.6
233.08096	3.4
233.11803	12.1
234.37335	2.2
235.09772	14.2
235.13194	3.2
247.09518	8.6
249.11125	2.8
251.12718	4.7
253.10687	4.7
261.14771	2.9
263.12604	6.3
270.97040	2.3
275.16202	3.4
277.14142	5.6
279.15710	6.8
291.12601	2.0
291.15906	11.3
292.16364	2.9
293.17407	7.3
303.12061	5.3
303.15640	4.8
305.17313	4.5
324.15329	2.3
332.16306	2.1
333.16699	4.1
337.16537	12.7
345.16843	2.6
347.18347	6.4
353.19510	2.9
359.18292	4.3
361.16129	6.0
373.19888	6.2
389.23087	2.8
391.20859	3.6
401.19461	4.9
409.22079	3.8
416.21359	3.8
417.22839	58.6
418.22748	8.8
441.22348	3.4
443.24161	4.8
459.23898	51.4
460.24414	9.7
461.21658	21.3
464.68860	2.7
493.23898	81.5
494.24042	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	493.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03449	28.4
59.01366	3.5
61.98827	1.6
64.46103	1.4
68.99815	1.9
69.03454	1.9
70.92345	1.5
70.92685	3.7
71.01317	1.4
71.04996	3.7
76.82958	1.3
79.05497	2.9
81.03433	4.1
83.05023	9.1
85.02961	2.6
85.06598	46.1
87.04098	1.9
87.04525	22.1
95.05045	13.9
96.00780	1.6
97.02938	2.9
97.06572	6.4
98.19932	1.6
99.04526	1.5
99.08125	1.8
101.06061	5.3
107.04988	5.2
109.02969	8.3
109.06542	5.3
111.04537	73.3
111.08134	6.4
112.04836	2.1
113.06104	2.3
121.06609	8.1
122.03656	3.5
123.04549	9.2
123.08178	10.5
125.06121	9.9
125.09679	1.3
126.06355	2.0
127.07655	2.4
133.06508	1.9
135.04567	2.1
135.08202	8.0
137.06017	6.9
137.09743	7.6
139.03958	2.1
139.07597	5.4
141.09178	2.2
147.08125	1.8
149.06044	2.8
149.09624	2.1
151.04001	2.3
151.07629	2.3
153.09193	4.5
155.07091	2.0
161.06067	2.7
161.09621	1.9
163.07596	6.1
163.11244	2.6
164.08435	2.2
165.05591	13.1
165.07974	2.2
165.09235	33.9
166.09421	3.5
167.07092	3.7
167.10716	1.7
175.07605	3.2
177.05595	2.4
177.09169	2.3
178.06381	2.5
179.07166	14.2
183.06596	1.7
189.12692	1.8
191.07080	3.4
191.10747	4.5
192.04697	1.6
192.07721	1.6
193.08698	28.1
193.12283	1.9
195.06537	2.1
195.10135	4.3
205.08595	4.5
205.12335	8.7
206.09378	1.9
207.10249	7.5
207.13766	2.0
208.10614	1.5
209.11816	15.2
212.06828	4.9
217.08778	1.9
219.10100	6.1
219.13637	1.5
221.08086	5.8
221.11766	2.4
222.08815	1.6
223.13417	8.1
225.11092	2.3
229.08798	2.3
231.10077	1.7
233.08006	1.6
233.11670	6.9
235.09793	11.3
235.13220	2.7
243.13536	1.6
245.08179	1.7
245.11418	1.7
247.09555	6.1
251.09070	5.1
253.10844	2.6
259.13330	2.0
261.14795	3.4
263.12766	6.1
264.09891	1.9
265.14362	3.8
275.12912	1.7
275.16324	1.3
277.14230	5.5
289.14368	1.7
291.16028	13.4
293.17615	9.6
303.12430	3.1
303.15829	4.2
305.17422	4.2
317.17422	2.0
319.15417	3.8
321.17007	2.3
331.15430	2.4
331.19238	2.7
333.16962	4.1
337.12982	1.6
337.16559	24.1
338.16443	2.1
345.16840	3.1
347.18451	5.0
357.20514	2.4
359.18387	3.0
361.16177	3.6
361.20270	2.5
373.20361	9.0
374.19949	2.3
378.10013	1.7
387.17920	6.4
391.20975	3.1
393.51657	1.9
401.19553	8.4
402.19568	1.9
416.21649	3.3
417.22855	50.4
418.23221	7.9
429.18744	4.9
443.24753	7.9
459.23871	34.2
460.23727	5.9
461.21628	25.6
462.21799	5.6
475.27121	1.8
493.24084	100.0
494.24591	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	493.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49892	0.4
51.74475	0.4
54.27319	0.4
57.03215	0.4
57.03445	4.2
59.01379	2.4
61.98838	2.2
71.01362	0.5
71.04997	1.2
72.99295	1.9
75.00880	3.9
78.95894	1.7
79.05514	0.6
81.03455	0.9
83.05035	2.0
85.02954	1.0
85.06576	1.1
87.00875	0.7
87.04522	30.7
87.83780	0.4
88.04837	0.6
93.03456	0.5
95.05005	1.6
97.02957	0.6
97.06566	1.6
99.04509	1.3
99.08149	1.2
100.98804	0.7
101.06088	6.7
107.05021	1.4
109.02917	1.5
109.06565	1.0
111.00856	0.4
111.03821	0.8
111.04533	12.4
111.08101	0.4
112.04851	0.6
113.02431	0.8
113.06081	0.7
121.06602	2.5
123.04477	1.2
123.08128	1.3
124.01662	0.6
124.05325	0.7
125.02423	0.4
125.06114	2.7
125.09707	0.7
127.07607	0.6
133.06519	0.4
135.08122	1.8
137.02406	0.9
137.06030	0.7
137.09689	1.3
139.03984	1.2
139.07611	1.3
141.09164	0.6
145.02946	0.8
145.05019	1.6
147.08171	0.5
149.06076	0.5
149.09697	0.4
151.03964	1.0
151.07610	1.3
151.11269	0.4
152.99626	0.5
153.09189	1.1
155.07091	1.0
157.08641	1.2
161.09743	0.4
163.07599	0.6
163.11253	1.2
165.09189	1.0
167.07019	0.4
167.10703	0.5
169.08672	0.4
171.10144	0.8
175.07640	1.0
175.11223	0.5
177.12851	1.4
179.07054	1.4
179.10788	3.2
181.08728	0.6
187.11159	1.3
191.07066	0.5
193.08728	3.1
193.12260	1.2
195.06493	0.7
197.08063	1.7
197.11784	0.9
205.08592	0.6
205.12367	0.8
207.10204	1.1
208.07201	0.5
209.08134	1.5
209.11829	2.2
209.35664	0.4
211.13298	0.7
219.10133	0.6
221.08221	4.2
221.11850	0.4
222.08777	0.5
223.09660	0.9
225.11307	9.1
231.17427	0.7
233.11769	0.6
235.09621	1.4
235.17010	1.1
237.11209	0.5
237.14865	0.5
241.05061	0.6
242.05678	0.6
243.08615	1.1
245.15395	2.6
247.13358	0.7
263.09283	0.5
263.12491	0.5
263.16425	1.9
265.10886	2.7
265.14401	2.7
267.12317	1.1
277.14377	0.9
289.21643	1.4
291.15897	0.8
293.13834	0.7
293.17303	0.5
295.15521	6.2
296.15894	0.5
303.15860	0.6
303.19345	0.6
305.14093	0.6
305.17398	1.4
319.15466	1.2
321.17084	0.5
323.28149	0.4
335.14819	1.2
336.15515	0.7
337.16577	15.6
338.16833	2.1
347.18723	0.9
349.10614	1.4
349.16431	1.6
361.16309	0.8
361.20114	1.0
363.17938	0.6
365.19440	1.1
377.19257	0.7
379.21301	3.8
380.21286	0.8
381.19028	1.4
391.21173	0.8
393.19022	0.8
407.14499	0.5
417.22659	0.5
419.20416	1.3
423.20248	6.4
424.15295	0.6
424.20520	1.4
461.21841	18.3
462.22189	3.5
475.21811	0.7
493.24100	100.0
494.24478	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	492.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80470	0.1
53.01759	0.1
59.01386	0.1
61.98831	100.0
62.98524	0.3
63.65212	0.1
78.14200	0.2
100.16105	0.2
123.08186	0.3
125.06097	1.1
146.21161	0.1
149.09785	0.2
175.11270	0.2
177.01877	0.2
177.09225	0.3
191.14398	0.2
219.06664	0.3
219.10333	0.4
221.08275	0.2
222.08719	0.2
235.09853	0.2
236.60179	0.2
245.08197	0.2
247.09807	0.2
257.15640	0.2
259.17114	0.5
285.15082	0.3
289.11566	0.2
289.14557	0.7
303.16049	4.2
303.19431	0.2
304.16431	0.3
377.24289	0.1
411.25659	0.2
429.26419	14.8
430.26758	2.8
492.30499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0623
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03445	1.6
59.01379	2.9
62.25847	0.5
63.02404	3.5
63.83332	0.5
65.00329	6.4
66.23257	0.7
69.37965	1.5
69.38371	5.9
71.01382	2.8
72.99311	1.3
74.68999	0.7
75.00906	0.7
81.03455	1.0
83.01404	5.6
85.02954	4.2
85.06611	0.8
87.04514	0.8
90.86862	0.6
91.01904	0.7
93.03482	1.5
95.01408	2.2
99.00908	1.4
107.01407	12.4
109.02975	9.7
111.00922	1.8
113.02498	4.3
119.01427	0.9
121.03020	1.3
123.00896	1.2
125.02471	12.3
133.02974	1.0
135.00912	0.8
135.04518	1.0
137.02477	10.2
139.00394	3.7
143.05025	1.5
145.02971	1.6
147.00909	1.3
147.04459	0.6
149.02472	1.0
151.00391	41.6
152.00958	1.5
153.01956	0.9
155.05048	2.0
159.04550	1.2
163.00388	8.8
163.45790	0.7
164.01199	6.5
165.01982	5.8
165.98979	0.7
166.99895	3.1
169.01407	2.7
171.04523	2.7
173.06136	1.2
174.03107	0.8
175.02588	0.9
175.04063	1.6
178.99887	22.2
180.00284	1.4
182.03816	0.7
183.04520	2.5
184.04900	0.8
185.02451	0.9
187.03995	1.8
189.05641	1.1
190.02716	2.5
190.99896	4.7
192.00703	0.9
193.01443	2.5
193.03497	2.4
194.99353	0.9
199.04027	9.0
201.01981	1.1
201.05573	1.5
203.03497	2.4
206.99426	0.9
208.00089	0.8
209.00850	1.4
211.04012	0.8
213.01860	1.2
215.03487	3.0
217.05029	3.0
227.03506	8.8
229.05154	1.3
231.02940	0.8
233.87164	0.6
242.02205	0.7
243.02977	11.7
243.06628	1.9
244.03340	1.1
245.04552	5.0
255.03003	8.7
259.09784	4.5
271.02472	23.3
272.02930	3.1
273.04047	17.6
274.04346	1.2
287.05679	1.4
289.03378	0.9
299.01987	67.5
300.02386	6.9
301.03329	1.0
317.03040	100.0
318.03387	9.5
421.14954	4.0
493.06323	8.5
493.24536	4.4
494.24960	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	492.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00125	0.1
57.03451	0.3
59.01381	1.6
61.98835	0.8
71.01382	0.4
71.71577	0.2
75.00880	0.4
78.95914	0.4
85.02956	0.4
87.00886	1.7
88.98826	0.2
89.02474	0.5
93.03469	0.2
96.96021	3.7
96.96944	0.6
97.95947	0.2
98.95626	0.6
99.00887	0.1
101.02428	0.3
108.02187	7.5
109.02494	0.3
113.02427	0.1
120.07125	0.1
121.03020	0.2
125.02469	0.3
131.03485	0.2
138.01990	100.0
139.02339	3.6
145.03040	0.2
145.56129	0.1
151.00385	0.2
151.02760	0.2
151.03992	0.2
152.74913	0.1
160.04109	0.1
161.04672	0.1
167.03458	0.1
169.76903	0.1
173.04555	0.5
191.05632	2.1
192.05977	0.3
199.03986	0.1
200.04239	0.1
210.06551	0.1
211.07597	0.4
212.07988	0.4
243.03009	0.4
244.03349	0.5
261.04086	0.7
262.04318	0.8
270.10803	0.1
274.07990	0.2
289.07190	0.4
317.06549	0.6
318.07089	1.4
319.08411	0.2
369.89618	0.1
394.08731	0.4
432.15317	0.3
433.24377	0.2
492.12262	0.3
492.19363	0.1
493.12756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
61.98831	100.0
65.32318	0.4
66.72234	0.3
69.27364	0.4
69.83466	2.1
69.83897	0.8
85.02994	0.5
101.06123	0.6
111.04533	0.6
123.55619	0.4
125.06131	1.7
151.04071	0.7
152.04599	0.4
209.11865	0.8
210.12305	1.0
212.17390	0.4
221.08180	0.5
222.08919	0.4
235.09692	3.1
236.10109	2.6
253.10857	1.6
254.11198	1.6
257.20758	0.3
279.12183	0.5
289.59146	0.4
294.14423	0.7
310.51935	0.4
311.44653	0.4
347.18884	1.3
348.19073	3.4
349.19617	0.4
381.44888	0.4
418.23108	0.8
429.26605	0.8
457.26230	0.6
492.27258	1.5
493.25674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	25.3
59.01353	0.8
61.98835	6.9
69.03454	0.9
70.47243	2.9
71.05021	2.9
85.02956	14.9
86.24846	0.8
99.08166	0.8
100.51775	0.9
101.06099	5.5
109.06602	1.2
110.50377	0.8
111.08160	4.5
113.06068	1.1
114.06879	1.6
115.07664	2.0
115.25742	0.8
123.08158	3.1
125.06088	3.7
127.07648	1.8
131.05023	0.8
135.73901	0.9
139.04030	15.7
139.17401	0.9
141.09232	9.1
143.10762	2.6
151.03999	1.5
151.11282	1.0
153.05550	3.9
165.12854	16.2
166.13159	1.3
169.08690	2.8
181.12355	13.2
191.10754	4.9
200.06888	3.5
209.11844	50.0
210.12183	3.2
211.17029	25.6
212.17410	3.0
235.09770	5.3
237.14952	9.6
253.10811	100.0
254.11110	10.1
255.70877	0.9
263.12842	1.3
289.21713	2.5
293.13950	26.0
294.14273	2.3
310.92343	0.9
323.18582	1.0
347.18604	4.6
363.21713	3.6
366.39969	0.9
403.28568	5.3
491.26105	5.4
492.15433	0.9
509.09235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	5.3
61.98824	8.3
65.39714	1.8
70.87831	5.4
85.02955	2.4
85.06577	1.9
95.05030	2.6
97.06602	3.1
99.08143	5.0
101.06095	5.0
109.02951	2.4
111.04507	3.3
123.04543	4.0
125.06094	24.5
151.07663	2.6
157.97890	2.0
162.06900	4.6
170.73322	2.1
173.15121	2.1
180.04291	6.7
193.08731	3.3
194.21013	2.2
206.09537	3.4
207.10406	3.1
209.08223	7.6
221.11870	2.3
233.08183	3.5
235.09778	37.1
236.10411	7.4
249.11301	12.0
250.11894	3.1
261.11243	4.9
263.12921	5.0
263.16437	3.9
277.14465	12.5
278.15045	8.4
279.15964	4.4
289.14377	8.2
303.15970	4.3
305.13419	2.7
315.16080	5.5
331.15366	4.7
331.19153	4.5
333.17175	5.0
335.18478	3.5
345.20630	3.6
347.18423	3.1
355.19232	4.0
355.44058	2.2
359.18466	13.6
359.22305	32.4
360.22556	6.3
371.22449	5.5
373.20221	100.0
374.20569	16.7
387.21777	26.9
388.22137	12.7
389.19193	3.6
392.18259	2.3
401.19818	14.7
415.21188	6.6
420.21518	18.6
421.21872	3.0
459.23947	2.8
461.25095	2.7
491.25922	39.1
492.26935	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	491.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	25.6
63.35358	0.8
69.03461	1.9
69.78904	5.6
71.05020	5.1
85.02959	16.5
95.05031	1.4
99.08127	1.2
101.06116	5.3
104.50600	0.9
109.06612	0.9
111.08172	4.0
113.06084	1.3
114.06866	0.9
115.07658	1.7
121.06648	1.4
123.08186	3.3
125.06098	12.8
127.07652	1.4
137.09714	2.0
139.04036	16.7
139.07666	3.0
141.09224	8.6
143.10846	4.2
151.03952	1.5
151.11212	1.2
153.05618	3.0
163.11301	1.6
165.12871	17.2
166.13199	1.3
169.08719	2.1
181.12378	14.1
191.10760	4.2
200.06941	3.4
207.10248	2.0
209.11845	51.8
210.12157	4.4
211.17044	33.3
211.19101	1.0
212.17348	2.7
221.08281	1.2
222.08884	1.5
229.57407	1.1
235.09755	12.8
236.10355	1.5
237.14944	8.8
238.15352	1.1
249.14920	1.1
253.10805	100.0
254.11221	8.9
263.12793	1.0
275.13025	1.8
277.11017	1.1
278.11490	2.6
289.21667	3.1
293.13965	28.2
293.17194	1.9
294.14322	2.8
304.63342	0.9
309.13464	0.9
335.18484	4.4
347.18631	7.0
348.18979	1.1
363.21896	4.6
375.17511	1.1
378.20380	1.5
403.21265	1.0
403.28625	5.2
404.28897	1.4
415.74432	0.9
459.23874	2.1
473.25412	1.3
491.26440	10.9
492.26733	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	491.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03448	7.3
57.55883	1.5
59.01369	1.4
67.56876	1.3
69.48653	10.6
69.49062	3.7
71.05029	3.6
72.93531	1.4
83.05066	1.8
87.04500	1.7
95.05045	5.4
97.02956	4.8
97.06606	2.9
99.08165	2.9
101.06094	11.4
103.17860	1.8
107.05066	3.3
109.02911	3.0
109.06623	3.4
111.04546	3.7
111.76738	1.7
115.07696	3.8
121.03025	1.9
121.06596	2.2
123.04546	5.5
125.02465	8.0
125.06107	38.4
127.07679	2.3
135.08179	1.8
137.02478	3.5
137.09732	2.4
138.03215	1.6
139.04015	29.9
139.07648	1.4
141.09251	2.5
149.02597	1.5
151.04028	20.5
152.04718	3.2
153.05574	9.1
153.56065	1.4
163.11325	1.9
164.04745	2.4
165.02060	1.6
165.05603	3.1
166.02736	3.1
173.06097	2.3
177.01967	6.2
178.02689	3.0
179.03528	3.6
180.04323	2.5
181.05119	2.8
181.08665	2.1
181.12320	1.8
186.47066	1.4
187.07751	1.5
191.10826	5.1
192.07964	2.0
193.05121	2.3
193.08678	2.4
194.05850	4.3
196.07436	11.3
200.06897	4.9
205.05009	2.1
205.12273	2.4
206.09560	3.3
207.06522	2.0
207.10291	7.5
219.06638	17.5
220.10979	4.0
221.08264	11.3
221.11841	3.2
222.08890	6.2
225.11380	6.6
233.08159	4.6
233.11853	4.5
234.08943	3.8
235.09764	100.0
236.10199	10.6
241.63464	1.7
243.13902	1.7
245.15364	1.7
247.09766	3.2
249.11292	10.8
253.10857	3.5
261.11328	2.9
262.08429	15.1
263.12927	13.6
265.11600	2.9
265.14435	55.3
266.14786	5.6
277.10834	65.3
278.11508	24.9
279.12262	6.3
281.10309	2.0
289.10907	2.7
289.14185	1.9
289.17770	1.8
291.16071	10.7
293.13855	5.3
303.16086	17.8
303.19516	2.6
321.17017	5.2
327.19653	1.7
331.15659	2.0
333.17096	2.0
345.20712	2.3
346.17795	16.4
347.18628	71.1
348.19073	9.2
349.20206	2.8
363.22043	2.8
365.16141	2.5
367.17624	5.5
443.24323	2.9
459.23764	5.2
473.25690	3.3
491.26456	55.0
492.26794	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	491.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92254	1.0
53.19910	1.0
57.03453	26.1
59.01370	1.3
59.56885	1.1
61.98842	1.8
65.20494	0.8
69.03481	1.1
69.83230	5.1
69.83640	1.7
71.05041	2.7
72.24572	0.9
83.05019	1.0
85.02964	16.0
87.04549	1.3
95.05058	1.8
97.06602	1.6
98.20647	1.8
101.06113	7.7
111.04567	1.9
111.08134	4.6
113.06106	1.2
115.07610	2.2
123.08230	5.0
123.08984	1.1
125.02476	1.2
125.06098	9.0
129.05630	1.5
133.06551	1.3
133.32887	1.0
136.64047	1.0
137.02487	1.9
137.06090	2.1
139.04039	13.0
139.07684	3.0
141.09250	9.8
143.10808	2.7
147.11800	1.1
148.51492	0.9
151.04088	1.7
151.11325	2.2
153.05609	3.6
157.05054	1.2
163.11238	1.3
165.12888	16.9
167.03522	1.3
168.04257	3.4
169.08746	2.6
173.09677	1.2
179.10762	1.4
181.12387	14.2
191.10808	3.0
200.06894	2.6
207.10187	1.2
208.07454	1.2
209.11842	47.0
210.12239	3.4
211.17068	25.7
221.08220	2.3
223.09865	1.1
224.06917	4.2
235.09821	10.6
236.10497	1.8
237.14952	8.7
239.16348	1.2
249.11343	1.7
253.10814	100.0
254.11165	7.0
289.21832	3.7
293.13971	28.9
293.17212	2.0
294.14240	3.5
300.41644	1.0
301.14465	1.6
309.13498	1.2
333.20761	2.3
347.18637	3.1
359.19064	1.0
363.21783	3.2
391.21359	1.4
403.28558	4.5
405.19489	1.2
417.23016	1.5
459.23688	1.9
473.25296	1.9
491.25824	21.7
492.26505	5.5
513.11395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.265
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.39748	0.3
57.03447	5.1
59.01362	0.6
59.80676	0.3
61.98824	0.8
66.03268	0.3
69.03444	0.4
71.05022	3.2
71.29710	0.8
71.30863	0.3
73.02940	0.3
77.43530	0.3
81.03463	1.0
81.24455	0.3
83.05033	2.7
85.02952	6.9
85.06561	0.3
87.04527	0.4
88.23566	0.3
95.05030	0.9
97.06591	1.4
98.74796	0.3
99.08173	7.6
101.06087	5.4
107.05054	0.6
109.02954	1.1
109.06581	2.1
111.00874	0.3
111.04552	1.8
111.08167	0.5
121.06592	1.1
123.04548	3.0
123.08201	2.0
123.36217	0.3
125.06100	7.1
125.09730	2.0
127.07657	1.3
133.06618	0.3
135.08159	0.9
137.06062	0.6
137.09726	0.7
137.22433	0.3
139.07648	1.3
139.11328	0.5
141.09219	1.6
147.08136	1.2
149.06129	0.7
149.09718	1.1
151.04079	0.4
151.07645	0.9
151.11226	0.7
153.09216	6.4
153.12741	0.4
155.10905	0.4
161.02534	0.3
161.06082	0.3
163.07497	0.4
163.11304	0.8
165.09230	0.6
165.12770	0.5
169.08731	4.2
171.10239	0.5
175.11285	0.7
177.05583	0.5
177.09109	0.5
179.07132	2.6
179.10730	0.5
181.12350	1.3
191.07222	0.4
192.07954	0.3
193.08705	3.6
193.12349	1.1
194.09180	0.3
195.06691	0.6
195.10320	1.8
197.08206	0.7
197.11926	0.4
201.12881	0.5
205.08658	0.5
205.12277	0.5
207.10263	2.3
207.13927	0.7
209.08217	0.6
209.11832	0.4
217.12367	0.5
219.10275	1.3
220.10661	0.3
221.08066	0.4
221.11696	0.4
225.11240	0.4
226.08401	0.5
231.13850	0.5
233.11794	1.4
235.09752	0.7
235.13504	0.7
243.10094	0.4
245.08273	0.5
245.15370	0.8
246.08810	0.5
247.09708	1.4
247.13361	0.8
248.13988	0.3
249.11320	0.5
249.14948	0.6
261.07782	0.3
261.11282	1.9
263.13901	0.5
263.16434	3.0
265.14508	0.4
277.18088	1.2
279.12479	0.4
279.16107	0.4
281.10538	0.5
289.10846	2.0
289.14063	0.4
289.17780	0.3
293.14035	0.6
295.19186	1.4
303.19595	0.5
305.17447	2.2
319.22632	0.4
335.18784	0.4
345.16989	0.4
361.23901	0.9
371.22250	1.1
373.20105	2.2
387.21347	0.4
389.23367	9.5
390.23648	1.2
391.21124	0.4
407.20752	0.7
419.27975	0.6
429.26404	1.5
447.27573	5.8
448.27902	1.0
459.24057	0.6
491.26489	100.0
492.26828	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43715	0.3
57.03455	0.6
59.01378	5.6
61.63024	0.3
61.98838	1.3
67.01881	0.9
67.04446	0.3
69.03461	0.7
71.01386	2.1
71.71414	0.4
73.02960	0.5
75.00903	0.3
81.03482	0.4
83.05032	0.7
85.02987	1.3
87.00893	1.5
88.98817	2.5
89.02477	1.1
93.03474	4.2
96.96032	1.7
97.02934	0.3
101.02456	0.8
108.02185	1.1
109.02979	0.9
111.00874	0.5
111.04519	2.1
113.02429	0.7
116.92856	0.4
119.03493	0.4
121.03001	0.5
123.04526	0.5
125.02468	0.7
127.04073	0.4
129.01981	0.5
135.04552	0.5
136.05310	0.3
137.02480	0.8
138.01993	18.2
145.02997	1.1
146.03764	0.6
152.06320	0.6
155.03506	2.0
155.07164	0.3
155.08681	0.8
158.03711	0.8
159.04532	3.2
160.05330	0.4
161.02243	0.3
161.06117	0.4
165.07066	0.5
167.03563	0.8
167.05046	0.7
167.08684	1.4
169.06699	0.5
171.04579	0.7
173.02391	0.7
173.04578	15.8
173.06026	0.9
174.03235	2.2
174.04779	0.6
175.04022	0.6
179.05623	0.5
181.06552	0.7
183.04558	0.8
183.08139	1.6
185.02469	1.9
185.06099	1.0
187.04001	1.7
187.07660	0.8
188.04686	0.4
191.05634	6.3
193.06587	1.0
195.04524	2.7
195.06398	0.7
196.05292	2.5
198.03238	0.7
199.04095	0.5
199.07579	0.5
200.01178	0.6
200.04868	0.4
201.05544	2.2
208.05345	0.4
209.06099	9.0
210.06790	2.2
211.04088	1.6
211.07649	46.1
212.04807	2.9
212.07965	3.8
213.05513	1.1
215.07094	0.4
216.04248	0.8
217.05055	0.8
217.08615	0.6
225.05504	0.4
226.02739	0.6
227.03545	4.0
227.07040	2.8
228.04007	0.7
229.05055	6.2
229.08636	0.4
230.05507	0.3
237.05560	0.9
243.03189	0.4
245.04457	0.3
245.08182	2.3
246.08588	0.4
253.05055	0.4
255.06598	5.5
256.06870	0.8
269.10187	1.0
271.06192	0.8
273.07675	20.7
274.08096	1.6
289.07166	4.0
290.07471	0.4
294.54083	0.3
299.05569	3.3
317.06674	100.0
318.06998	10.6
431.22775	1.3
491.11880	13.7
491.21149	0.9
492.12152	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.45422	0.5
59.01378	6.4
60.99308	1.1
61.98837	0.8
67.01889	3.6
67.05125	0.5
69.03451	2.8
71.01380	3.3
71.71606	0.6
73.02948	0.9
75.00869	0.9
81.03465	0.9
83.05038	0.8
85.02961	9.8
87.00880	7.8
88.98808	0.7
89.02457	1.5
93.03471	22.9
94.03796	0.5
97.02956	3.2
99.00897	0.7
99.04516	0.9
101.02461	1.2
105.01955	1.0
109.02958	2.2
111.00906	0.7
111.04534	4.1
113.02451	1.4
116.92848	0.7
120.99683	1.1
125.02442	0.8
127.04057	2.3
133.59953	0.4
135.04538	0.7
137.02480	1.1
137.06085	0.5
143.03506	0.8
143.05061	0.7
145.02931	0.8
155.03467	1.4
155.04984	0.7
155.08727	0.5
158.03748	1.8
159.04547	3.0
161.04619	0.7
165.07149	1.2
167.04985	0.8
169.06633	0.7
171.03062	0.8
171.04527	1.9
172.05321	0.7
173.02449	0.6
173.02988	0.7
173.04594	11.5
173.06071	1.7
174.03233	1.7
174.04854	0.8
175.03957	0.8
181.06621	0.8
183.04562	1.2
183.08205	1.7
185.02472	3.8
185.06056	2.2
186.03084	0.5
187.04094	3.4
188.04655	0.7
189.09129	0.6
191.05634	100.0
192.06006	4.8
193.06673	1.0
195.04578	2.3
196.05334	2.5
197.05951	1.3
198.03235	7.9
199.04002	5.9
199.07666	1.7
200.01111	1.0
200.04439	1.0
201.01865	0.8
201.05606	2.4
208.05292	1.3
209.04109	1.0
209.06094	18.2
210.06612	2.4
211.04103	8.6
211.07639	26.7
212.04811	7.0
212.08009	2.9
213.01956	0.5
213.05495	2.4
214.02829	0.8
215.03697	0.5
215.07053	0.7
216.04271	1.6
217.05103	0.5
225.05573	9.9
226.06189	0.9
227.03632	3.6
227.07129	7.4
228.04218	0.6
228.07498	0.8
229.05029	3.5
237.05634	1.0
240.04292	1.1
245.08153	2.2
253.05307	0.7
255.06635	29.7
256.06940	3.3
271.06070	6.1
272.06464	0.5
273.07675	24.4
273.30341	0.5
274.07941	2.8
278.61996	0.5
289.07147	2.2
299.05606	94.6
300.05927	9.2
317.06683	35.8
317.09677	0.7
318.07062	4.5
365.58145	0.5
431.22858	1.7
491.11926	78.6
492.12344	13.3
511.21280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01383	8.8
60.99310	0.6
61.98825	1.4
67.01897	1.5
69.03460	1.8
69.54984	2.9
71.01390	4.4
72.99303	0.6
73.02950	1.1
75.00893	1.2
81.03473	0.8
83.01407	0.4
83.05059	0.7
85.02963	11.3
87.00880	4.1
88.98820	0.9
89.02467	1.6
93.03472	8.7
97.02972	2.6
99.00905	0.3
99.04570	0.7
101.02443	1.7
104.03582	0.4
105.93591	0.3
109.02976	1.5
111.00897	0.5
111.04559	2.3
113.02467	1.1
116.92873	1.3
119.03546	0.6
119.05019	0.4
123.04584	0.6
125.02475	1.5
127.04041	3.2
135.04544	0.7
137.02463	0.9
143.03525	0.6
143.05037	0.6
145.02943	0.7
150.03293	0.4
151.04027	0.5
155.03590	0.4
155.05121	0.6
155.07158	0.3
158.03786	0.7
159.04556	2.0
159.46016	0.3
161.02428	0.8
161.04599	0.7
161.06004	0.6
165.07161	0.8
167.05040	0.6
171.03165	0.6
171.04541	1.7
172.72171	0.4
173.02444	0.9
173.04573	4.7
173.06017	0.7
174.03261	1.4
174.04868	0.5
175.03972	0.5
180.05772	0.5
181.06624	0.7
183.04550	0.9
183.08109	0.8
184.05313	0.7
185.02484	2.7
185.06058	1.2
186.03325	0.4
186.06808	0.4
187.04059	2.7
191.05635	100.0
192.05977	4.7
195.04530	0.8
196.05289	0.7
197.06137	0.9
198.03279	5.9
199.04007	4.1
199.07619	1.0
200.01227	0.5
200.04562	0.6
201.01952	0.4
201.05626	1.1
208.05345	1.0
209.06097	12.3
210.06635	1.5
211.04037	7.1
211.07629	7.6
212.04788	3.8
212.07954	0.6
213.05576	1.5
214.02689	0.6
216.04413	0.9
217.04991	0.5
224.04718	0.7
225.05583	8.1
226.06090	1.2
227.03572	1.0
227.07140	3.7
229.05064	1.6
237.05530	0.8
240.04268	0.8
243.03032	0.7
245.08142	0.9
253.05026	0.4
255.06638	20.6
256.06921	1.7
271.06058	4.2
273.07690	9.0
274.08124	0.9
281.10159	0.4
285.03949	0.4
289.07333	1.7
299.05621	61.6
300.05945	6.3
317.06686	16.2
318.07150	2.3
407.20706	0.5
431.22900	3.5
457.84976	0.4
491.11951	44.5
491.20682	2.5
491.81284	0.4
492.12314	6.9
492.19824	0.5
492.22360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
56.39131	0.5
57.03462	1.3
59.01378	0.7
68.99522	0.6
69.98756	1.0
69.99164	2.7
71.05022	0.7
75.00878	17.6
79.05541	3.6
81.07119	0.5
82.83998	0.5
88.08578	0.4
89.68792	0.5
90.84666	0.4
99.08168	0.5
101.06094	64.7
102.06452	1.9
102.70714	0.5
105.07157	0.5
105.78104	0.5
109.02972	1.4
112.98581	0.8
113.85829	0.6
121.06612	2.9
121.31918	0.5
123.00910	3.3
123.08167	1.8
125.06099	61.8
126.06431	2.6
130.42252	0.5
135.08192	1.8
136.05351	0.5
139.07655	0.7
141.01956	1.8
141.09245	2.2
149.02473	0.5
149.06142	1.6
151.04036	2.4
151.07675	4.4
151.11348	3.3
155.10841	0.9
157.08720	72.4
158.09076	3.2
161.09776	1.4
165.05594	2.0
167.07169	4.9
179.10806	4.6
203.10811	0.6
219.17593	3.4
221.08217	1.4
222.08984	0.9
225.11337	3.5
229.08493	0.7
229.15941	4.0
235.09749	3.6
243.60434	0.5
247.09937	2.5
247.17021	42.4
248.17451	3.9
261.11392	2.6
280.72983	0.5
305.21216	100.0
306.21558	14.8
318.14777	2.4
347.18518	0.9
375.21564	0.6
387.21774	35.2
388.22119	5.4
413.27011	8.4
414.27328	1.1
489.16885	0.7
489.29648	3.2
490.28918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03432	1.4
58.00589	1.3
59.01381	25.0
60.01736	0.3
61.98836	4.9
68.99551	0.6
69.03452	0.3
69.21626	0.3
70.67135	0.6
70.67467	0.5
71.01385	15.7
71.05018	0.6
72.01699	0.5
72.99310	4.5
73.02954	1.1
75.00875	1.0
81.03447	0.5
83.01398	1.7
83.05032	0.9
85.02956	4.3
85.87185	0.3
87.00896	1.0
88.98811	0.5
89.02454	9.8
93.03486	0.6
95.01399	1.3
95.05035	0.5
97.02926	0.4
97.06606	1.1
99.00874	0.6
101.02460	8.2
101.03088	0.6
107.05025	0.4
107.19009	0.3
109.02950	0.4
109.06599	0.4
110.03738	0.7
111.04532	0.3
111.08093	0.3
112.98598	1.2
113.02457	5.2
116.92858	0.9
119.03510	3.1
120.99655	0.5
121.02981	0.5
121.06647	0.7
121.10258	0.5
123.08189	0.6
124.50184	0.3
125.06134	0.4
125.09729	0.8
131.03491	0.3
133.06570	0.5
135.04442	0.3
137.02475	0.4
137.06099	0.3
137.09692	0.3
139.04044	0.5
139.07700	0.5
143.03513	0.3
149.02386	0.3
153.01965	0.5
155.10815	0.6
161.09723	0.4
163.11314	0.4
165.09254	0.5
165.12895	0.8
167.05040	6.8
167.14450	0.6
168.05342	0.4
171.10307	1.2
173.09764	1.7
177.12874	1.0
181.05066	0.7
181.12354	0.6
183.04442	0.5
183.13930	2.1
185.06097	1.0
185.11841	4.3
189.09209	0.4
191.10739	0.6
192.07962	2.4
193.08440	0.4
193.12329	0.7
195.13953	0.3
197.11853	2.7
199.13356	0.8
201.11319	0.3
207.10269	2.5
209.06468	0.4
209.11809	2.9
211.04015	17.9
211.13396	14.8
212.04321	1.3
212.13736	1.3
221.11865	3.0
221.15628	0.3
224.05145	2.2
227.12885	0.3
228.23331	0.3
229.05060	1.9
229.14462	1.3
235.09776	1.1
235.13377	0.8
239.07503	0.7
239.12915	3.2
240.13272	0.5
241.22755	0.3
249.11270	0.6
253.14503	1.8
255.02994	1.1
256.03647	0.7
257.13983	0.4
258.01630	0.7
267.02969	1.4
267.12354	6.5
267.15436	0.4
268.12552	0.6
269.04453	0.8
271.02621	1.6
272.03198	0.4
273.03970	0.6
277.12308	0.5
283.02393	2.2
285.04056	0.4
291.06744	1.5
291.19647	6.1
292.19986	0.8
307.19086	0.3
309.07693	13.5
309.20694	5.0
310.08078	2.0
310.21201	0.7
311.09174	0.7
311.22263	1.1
327.04767	0.4
327.08740	8.6
327.18073	1.8
327.21704	10.4
328.09027	1.3
328.22174	1.3
358.10782	0.5
369.15536	1.6
387.10971	0.8
417.16977	0.3
429.25095	0.4
438.58026	0.3
471.25833	0.4
489.14130	12.5
489.27057	100.0
490.15393	2.4
490.27347	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	489.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13387	0.9
53.36250	1.0
70.47023	2.8
82.63209	0.8
85.02957	1.3
101.06097	71.2
102.06428	2.7
109.02959	2.7
120.05814	1.7
121.02910	1.3
122.03774	1.0
124.01654	3.1
125.02454	1.2
135.04483	1.3
135.08189	14.2
137.02460	68.4
138.03157	2.9
139.00443	1.0
141.01944	1.4
150.03262	4.3
151.04007	3.6
153.01929	1.2
153.09196	1.5
165.01985	4.5
166.02747	10.2
167.10771	4.1
178.02698	2.1
179.03502	7.3
180.04147	1.5
184.58603	1.0
193.05066	1.9
200.41281	1.0
201.09129	1.0
215.07077	1.2
219.10350	1.3
247.09758	2.6
249.11371	1.8
251.12810	1.4
259.13593	1.2
261.11246	1.1
275.12888	20.4
276.13620	14.3
285.11301	4.4
286.11942	1.4
303.12375	64.8
304.13058	31.0
305.13531	3.5
317.17856	1.5
318.14804	10.8
319.15265	2.1
345.20734	8.8
346.21140	1.3
355.19183	3.7
356.19354	1.2
372.19388	1.8
373.20209	100.0
374.20554	14.0
387.21777	96.8
388.22217	16.2
405.22897	2.7
457.25946	51.0
458.26266	12.0
489.28564	43.7
490.28958	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	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	44.4
57.03856	1.3
58.03771	0.9
59.01384	3.1
59.76266	0.4
61.98811	0.7
71.01340	1.7
77.09969	0.4
80.70815	0.3
83.01379	0.6
85.02959	0.7
86.76495	0.4
88.25758	0.4
89.02467	0.5
89.23775	0.4
93.03458	0.7
94.98067	1.3
96.95987	0.5
97.02907	0.5
98.20625	1.3
99.00908	0.4
99.04534	29.1
100.04825	0.7
101.02456	9.0
107.05020	0.4
111.00867	0.7
113.02409	0.5
115.92025	0.4
116.92903	0.4
119.03493	0.4
119.05051	0.9
121.02943	1.0
122.03757	3.2
123.00861	0.6
123.04510	1.4
124.30842	0.4
125.02467	12.3
125.06089	3.2
129.55006	0.4
131.66849	0.4
135.00882	0.7
135.04475	0.4
138.03189	0.5
139.04002	0.7
143.03513	0.8
150.03212	3.4
150.10307	0.4
151.03937	0.4
151.86723	0.4
153.00691	0.7
153.01953	14.0
153.04649	0.4
153.05588	5.1
154.02306	0.6
163.04012	0.7
165.05556	0.7
168.04300	27.5
169.04631	1.3
183.06636	100.0
184.06995	5.1
191.05621	1.1
207.10315	0.5
223.09753	8.9
224.10101	0.4
239.10854	0.9
279.02570	0.4
289.58841	0.4
304.55139	0.4
345.11926	0.4
405.59500	0.5
410.50613	0.4
447.46921	0.4
471.18854	0.7
489.20135	13.4
490.20355	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	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
58.00581	2.0
59.01381	47.5
60.01702	0.5
61.18849	0.4
69.89236	1.5
69.89655	1.4
71.01386	26.1
72.01719	0.5
72.99319	2.5
73.02937	0.9
77.82436	0.5
81.64186	0.4
83.01369	1.4
85.02963	5.4
86.66064	0.4
87.00867	0.6
87.74117	0.4
89.02457	17.6
93.03469	2.0
95.01404	2.3
99.92591	0.9
101.02457	11.4
102.02762	0.6
105.83857	0.5
109.43001	0.4
113.02472	6.5
116.92873	8.5
117.02011	0.6
117.92905	0.7
119.03513	6.6
125.02399	0.8
129.07109	1.5
131.03506	0.7
133.02939	0.9
135.00894	0.5
139.53813	0.4
160.01709	0.5
161.04530	0.5
176.56879	0.6
228.04300	0.6
255.02913	0.9
256.03732	2.1
263.07156	1.0
265.08466	1.0
279.03085	0.7
281.08224	0.6
288.02808	2.1
291.06641	11.0
292.06958	1.4
293.04617	2.1
294.05151	1.0
309.07675	83.0
310.08002	9.4
311.09274	9.7
312.09586	1.4
327.21704	1.3
340.76221	0.4
358.48938	0.5
489.14017	100.0
489.26627	3.8
490.14349	17.5
490.27045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45052	0.2
59.01379	2.0
61.98829	1.1
71.01376	0.5
71.05019	0.2
71.48703	0.3
71.49068	0.2
76.04986	0.2
80.94520	0.2
84.40295	0.2
87.65926	0.2
88.98813	0.9
89.02464	0.8
101.02477	0.4
169.21371	0.2
171.04515	0.2
183.04538	1.1
185.02454	0.2
185.48904	0.2
187.04012	0.2
197.11673	0.2
199.04044	0.5
200.04759	0.4
211.03979	0.5
212.04782	0.3
213.01892	0.9
213.05501	0.2
214.02640	0.3
226.06354	0.5
227.03513	7.7
228.04260	7.7
229.01453	0.3
229.04523	0.9
240.04306	0.5
241.01347	0.3
241.05070	0.4
242.02257	1.7
243.02856	0.4
243.49089	0.2
254.05870	1.9
255.02988	55.2
256.03738	66.3
257.04456	21.0
258.04919	1.4
265.04990	0.6
267.02963	3.4
268.03549	0.6
269.04495	2.5
270.04785	0.3
271.02545	0.3
279.03192	0.9
279.06653	0.7
280.03482	0.3
280.07101	0.2
281.04620	0.5
281.07840	0.2
282.05386	0.8
283.02478	6.4
283.06067	2.3
284.02896	0.8
284.06326	0.3
285.04059	1.6
286.04626	0.6
288.02744	0.6
291.06467	1.6
292.07034	0.3
293.04617	2.5
293.07709	0.3
294.05295	1.2
298.08542	0.3
299.05643	0.5
307.06070	1.6
308.06870	1.3
309.07678	7.6
310.07962	0.8
313.03616	0.6
326.08017	0.8
327.05334	0.2
327.08572	1.1
329.03003	0.7
342.04034	0.2
343.04611	0.4
401.08817	3.0
402.09171	0.3
419.09897	3.3
420.10126	0.4
437.05576	0.2
471.13013	1.6
472.13342	0.4
489.14011	100.0
490.14337	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	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48591	0.3
56.18196	0.3
57.03446	0.5
59.01377	6.7
61.98835	2.3
68.81872	0.3
69.46140	0.7
69.46480	3.6
71.01389	2.4
72.99304	0.4
73.02946	2.2
83.01418	0.4
83.26012	0.3
84.01753	0.3
85.02972	0.6
88.98823	1.2
89.02464	1.9
93.03478	1.8
99.00895	0.5
99.04521	0.5
99.92597	5.5
100.92598	0.4
101.02451	1.1
107.05080	0.3
109.02998	0.4
113.02469	1.4
115.04006	1.7
116.92875	80.9
117.01949	5.0
117.92874	5.0
119.03500	1.0
121.02959	0.6
125.02437	0.5
133.02989	0.5
135.00926	1.0
151.00378	0.4
157.06664	0.5
163.00447	0.6
172.01610	0.4
172.05322	1.0
175.04007	1.0
179.05693	0.4
183.04492	0.6
184.02554	0.4
184.05362	1.8
185.05963	0.6
191.05699	0.5
195.06615	0.5
199.03987	2.3
200.04819	3.4
200.61423	0.4
201.01563	0.4
209.08119	1.5
211.03940	1.9
212.04730	1.1
213.05539	2.8
223.04161	0.4
225.05536	1.1
226.34744	0.4
227.03514	8.6
228.04283	15.6
228.06595	0.8
229.04684	1.5
239.03416	0.7
241.04973	1.2
242.02151	0.7
253.05072	5.8
254.05431	0.5
255.02975	23.2
256.03748	100.0
257.04443	34.9
258.04831	2.8
265.08514	0.4
267.02939	3.7
267.16043	2.5
269.04532	1.1
271.06125	1.4
277.01208	0.4
281.04590	0.8
281.07980	0.5
283.02499	0.8
284.03210	1.2
285.04019	8.0
286.04468	0.7
288.02737	12.3
289.03052	1.4
291.06604	1.2
293.04550	0.4
296.06830	0.9
297.07520	0.5
307.06119	0.7
308.06940	1.7
309.07660	7.7
309.20703	2.6
310.07974	0.8
323.09131	0.9
326.07962	18.9
327.08725	65.4
328.09076	7.8
341.10239	1.0
369.09827	4.9
370.09985	0.4
399.11179	0.5
419.09592	0.8
429.08105	0.5
489.14087	80.5
489.26602	4.2
490.14581	12.3
490.26254	0.5
504.97845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27811	0.3
56.81936	0.3
57.03430	0.4
58.00597	0.6
59.01378	15.0
60.01716	0.3
61.98825	1.1
63.15273	0.2
63.32776	0.2
67.92145	0.2
69.60703	1.6
69.61111	0.6
71.01385	7.3
72.99303	1.2
75.00883	1.3
83.01375	0.3
85.02967	1.7
87.00882	0.4
88.98797	0.6
89.02453	6.3
93.03461	0.4
95.01425	0.4
98.20768	0.2
101.02451	4.1
105.92306	0.3
108.82951	0.3
109.02971	0.3
113.02462	2.7
119.03513	3.1
125.02441	0.3
131.73871	0.3
151.00343	0.3
161.04604	0.5
171.10312	0.4
183.04462	0.8
189.05580	0.3
191.05606	0.5
199.03998	0.7
199.23071	0.3
200.04802	0.4
211.13359	0.7
213.01950	0.9
213.05479	0.4
221.11983	0.3
224.05336	0.6
226.06340	0.4
227.03488	8.8
228.04257	7.4
229.04785	1.0
229.14421	0.5
239.07486	0.5
242.02203	1.6
243.02815	0.5
251.16542	1.0
254.05823	1.9
255.02980	53.1
256.03729	63.0
257.04446	19.2
258.04889	1.2
265.05002	0.4
267.02951	3.5
267.15759	0.5
268.03421	0.6
269.04514	4.4
270.04779	0.5
271.02448	0.7
279.02927	0.5
279.06592	0.5
280.07385	0.3
281.04684	0.6
282.05255	0.5
283.02478	6.7
283.06061	2.4
284.02844	0.6
285.04010	1.0
286.04681	0.5
288.02853	0.7
291.06500	1.5
293.04550	2.1
294.05206	1.0
299.05621	0.6
300.02753	0.8
307.06241	1.3
308.06815	1.2
309.07687	15.4
310.07980	2.0
311.09207	0.4
315.05383	0.3
326.07794	0.6
327.08725	6.2
327.18082	3.2
327.21820	4.9
328.09125	1.0
328.18359	0.5
328.22180	0.5
329.03058	0.8
369.13428	0.6
401.08694	2.5
401.12778	0.4
402.09277	0.4
419.09848	3.5
420.10233	0.4
471.12961	1.0
489.14017	100.0
490.14368	16.3
490.24728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	0.3
55.10435	0.2
57.03469	0.5
58.00617	0.5
58.72042	0.2
59.01095	0.7
59.01381	16.9
60.01747	0.3
61.98836	1.8
65.00391	0.8
71.01387	7.0
71.72095	0.3
72.99380	0.8
73.02975	0.6
79.63705	0.3
83.01442	0.7
85.02970	1.9
89.02457	4.3
93.03517	1.1
95.01487	0.7
101.02457	3.6
107.01403	1.4
107.08660	0.2
108.02160	1.3
109.03009	0.5
113.01768	0.4
113.02462	1.6
113.39558	0.3
118.77044	0.2
119.03596	0.8
121.03045	0.5
124.01795	0.5
125.02541	0.7
125.09789	0.4
133.03044	0.5
135.00987	1.1
143.05151	0.2
148.01692	1.3
149.60031	0.3
151.00389	3.4
152.00935	0.3
159.04591	0.4
162.19267	0.3
163.00452	0.9
164.01219	0.9
165.09288	0.4
171.04521	0.3
171.10320	0.7
172.05325	0.7
175.04080	0.5
178.99907	2.0
183.04565	0.6
184.05347	0.7
192.00705	0.4
198.03259	0.6
199.03987	2.4
200.04768	1.7
201.02058	0.6
201.11330	3.7
203.03563	0.3
211.03957	1.4
212.04645	0.4
213.05496	1.9
215.03479	1.3
216.04367	0.7
221.15509	0.6
225.05557	0.3
226.02795	1.1
227.03488	5.8
228.04260	8.6
229.01378	0.4
229.04753	0.9
241.05127	0.5
243.02988	10.4
244.03479	1.1
253.04938	1.9
254.02180	1.9
255.02980	31.1
256.03738	49.3
257.04486	19.1
258.05002	1.3
267.02933	0.7
267.15994	0.7
268.03775	0.4
269.04486	0.8
271.02463	53.6
272.02850	6.5
281.08142	0.4
283.02466	1.0
288.02777	7.7
289.03046	0.5
291.06659	2.0
291.19733	0.6
292.06744	0.3
293.04517	0.5
299.01990	7.5
300.02750	100.0
301.03281	16.4
302.04004	0.7
307.06503	0.4
308.06976	0.6
309.07684	11.6
309.20590	1.8
310.08124	1.0
323.09415	0.4
326.07916	7.3
327.08734	49.3
328.09073	5.2
341.10220	0.3
369.09802	1.8
429.08176	1.2
429.20520	0.3
447.09485	1.2
448.09158	0.3
489.09930	28.9
489.14075	23.9
489.26715	22.1
490.10303	5.3
490.14203	3.7
490.27060	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	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98823	0.2
69.10239	0.1
69.55606	0.6
73.63306	0.1
75.56058	0.1
77.34937	0.1
80.24259	0.1
81.81329	0.1
81.95942	0.1
82.23970	0.1
91.22873	0.1
98.20591	0.2
108.02187	0.2
108.51541	0.1
124.19941	0.1
128.04420	0.1
151.00381	0.1
172.35104	0.1
174.03235	0.1
191.34146	0.1
199.04082	0.1
202.02766	0.2
204.87492	0.1
214.02699	0.2
229.01498	0.2
230.02203	1.4
231.02853	0.2
239.03407	0.1
242.02156	0.1
243.02948	1.8
244.03738	1.9
245.04295	0.1
255.03043	0.2
256.03766	1.3
257.00845	0.1
257.04034	0.1
258.01660	5.3
259.02048	0.5
269.00964	0.1
269.04471	0.1
271.02472	3.6
272.03201	3.5
273.03671	0.2
283.02469	20.0
284.02963	2.7
284.09686	0.1
285.03833	0.1
293.04449	0.2
294.05188	0.2
295.06094	0.9
297.04065	0.2
299.08923	0.1
304.02158	0.3
307.06116	0.2
309.07669	0.3
311.05640	0.5
312.06451	0.6
313.07037	0.1
323.09210	0.3
325.07092	0.2
326.07971	1.2
327.08731	100.0
328.09067	12.2
363.58463	0.1
369.09717	0.5
370.10010	0.1
489.14035	4.2
489.24884	0.1
490.14230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98816	1.5
75.79134	0.4
83.45878	0.3
83.52885	0.4
96.61153	0.3
98.19923	1.0
121.97463	0.4
126.46423	0.3
166.58740	0.3
172.03000	0.4
174.03209	0.4
187.52322	0.4
227.03540	0.4
230.02336	2.0
239.03520	0.7
243.02960	2.8
244.03778	2.4
246.97385	0.3
256.03830	1.5
258.01712	7.0
259.02344	0.6
271.02478	15.3
272.03134	5.6
273.03568	0.8
283.02490	41.2
284.02924	5.8
285.03745	0.5
293.04672	0.7
294.05334	1.1
295.06134	1.0
297.03906	0.9
307.06271	2.4
309.07684	5.8
310.08029	0.9
311.05615	1.1
312.06259	0.9
323.09213	0.6
325.07224	0.7
326.07944	5.2
327.08743	100.0
328.09088	11.8
369.09476	0.4
489.14035	82.3
490.14389	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.1
61.98826	0.3
70.86982	0.4
96.74082	0.1
107.01421	0.2
108.95626	0.2
114.02026	0.1
130.09828	0.1
199.03918	0.2
211.03967	0.3
214.02686	0.1
227.03496	0.7
229.01366	0.7
230.02240	0.2
239.03506	1.1
240.04005	0.2
241.01364	0.2
242.02214	0.5
242.55817	0.2
243.02991	5.5
244.03342	0.4
255.02965	1.8
256.03561	0.3
257.00888	0.4
258.01697	3.8
259.02350	0.4
269.00964	0.3
270.01740	0.3
271.02466	27.1
272.02866	2.8
282.01636	0.3
283.02478	79.6
284.02817	7.7
297.03928	0.3
307.05948	0.2
309.07660	0.4
311.05527	0.9
325.03415	0.2
325.07224	0.4
326.07959	19.8
327.08633	9.7
327.12689	0.2
327.16196	0.2
328.09137	0.9
339.08859	0.2
369.09686	1.2
370.52682	0.2
381.09921	0.2
399.11005	0.4
489.14001	100.0
490.14346	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	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89190	0.3
55.01921	0.6
57.03476	0.4
58.00640	0.6
58.30021	0.3
59.01380	19.9
61.79065	0.3
61.98825	1.7
65.00374	0.5
68.10532	0.3
70.46522	1.1
71.01392	6.7
72.99362	0.9
83.01442	0.8
83.05062	0.3
85.02951	1.7
88.98860	0.4
89.02447	5.3
93.03533	0.9
95.01458	0.7
95.36426	0.3
95.92604	0.3
101.02462	4.4
101.03075	0.3
107.01464	1.2
108.02265	1.3
109.03015	0.3
113.02485	2.8
119.03585	1.4
121.03020	0.6
124.01768	0.4
125.02498	0.5
129.07181	0.4
131.62091	0.3
133.03059	0.5
135.00958	1.4
148.01779	1.1
151.00398	3.0
163.00459	0.8
164.01164	0.6
171.04567	0.7
172.05443	0.4
173.06145	0.3
178.99879	2.6
183.04671	0.4
184.05505	0.4
185.02504	0.3
187.03996	0.5
192.00732	0.3
199.04031	1.9
200.04791	1.3
201.01997	0.8
201.11313	2.5
211.04048	1.2
212.04903	0.6
213.05611	1.5
215.03587	1.0
221.15514	1.5
226.02734	1.5
227.03481	5.6
228.04257	6.5
229.04796	0.7
241.05046	0.4
242.02092	0.4
243.02988	10.2
244.03595	1.2
245.04588	0.4
253.05202	1.5
254.02281	2.0
255.00166	0.7
255.00960	0.5
255.02982	30.9
256.03751	39.1
257.04495	13.4
258.04898	1.3
267.02979	0.8
267.16119	0.4
269.04523	0.9
271.02469	56.2
272.02890	6.1
273.03787	0.5
283.02463	1.2
285.11316	0.4
288.02756	6.1
289.03079	0.5
291.06546	2.4
293.04630	0.5
299.01987	8.5
300.02756	100.0
301.03271	15.0
302.03867	0.4
308.06885	0.4
309.07681	15.9
309.20667	1.2
310.08072	1.5
311.09262	0.6
323.09610	0.5
326.07904	5.4
327.08740	36.1
327.21509	0.7
328.09186	4.1
369.09833	1.0
371.63727	0.3
429.08185	1.7
429.12961	0.3
447.09131	0.9
461.13809	0.4
489.09937	31.6
489.14102	21.8
489.26770	20.1
490.10315	5.8
490.14276	3.6
490.26639	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	489.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.7
58.00580	0.2
59.01382	12.9
61.98836	3.3
64.04092	0.2
69.03465	0.6
71.01391	8.1
71.72026	0.3
72.99326	0.7
73.02953	3.1
75.00874	0.6
81.03483	0.6
83.01403	0.8
85.02972	1.7
87.00892	0.7
87.04513	0.3
88.98816	0.6
89.02456	6.8
93.03486	0.4
95.01378	0.5
96.64722	0.2
97.02977	0.6
99.00899	0.9
99.04517	1.3
99.92596	6.6
100.92615	0.3
101.02455	6.2
101.03081	0.5
103.45137	0.3
108.02222	0.4
109.02987	2.0
111.00940	0.3
111.04489	0.3
113.02480	3.2
114.93465	0.3
116.92880	100.0
117.01949	5.1
117.92888	6.8
117.93733	0.3
119.03513	3.0
121.02942	0.6
123.04546	1.1
125.02473	2.9
131.03517	0.8
133.02997	0.4
135.04510	0.3
137.02477	0.4
143.03508	0.7
149.04558	0.3
151.00330	0.6
151.04082	0.5
161.02458	0.7
161.04596	1.6
161.05788	0.3
163.04059	0.4
165.01933	0.3
165.09229	5.8
166.09543	0.5
173.04533	0.3
173.06020	0.2
177.01930	1.7
178.02290	0.3
179.05621	1.6
183.04547	0.3
187.03954	0.3
189.01985	2.6
189.05693	0.2
190.02704	1.0
191.03448	0.4
191.05638	0.4
199.04106	0.3
203.03525	0.3
205.08768	0.2
209.08205	1.5
209.11800	0.2
211.04070	0.3
211.13373	0.3
216.00627	0.3
217.01405	1.7
219.02986	0.9
221.06728	1.3
221.15582	0.4
227.03453	0.4
228.04297	0.8
229.08612	0.2
231.03047	0.7
243.03041	0.4
255.02989	7.2
256.03751	9.7
257.04379	1.5
263.07800	0.8
267.03012	0.9
267.12506	0.4
267.16028	2.2
269.04428	0.3
269.08206	0.3
271.02469	3.0
272.02921	0.3
281.04651	0.5
282.09039	0.8
283.19156	0.5
285.04077	0.4
285.13525	0.4
288.02866	0.6
289.07187	0.5
291.19717	0.3
297.07907	0.4
297.11337	0.6
299.05426	0.3
300.02783	4.6
300.06012	0.4
301.03503	1.0
309.07773	0.3
309.20749	1.0
315.12396	0.6
323.09879	2.0
326.07852	1.1
327.08655	1.8
327.12067	0.3
327.21848	0.9
341.06680	7.3
342.07016	1.0
342.10822	0.4
343.07303	0.6
357.13452	1.6
369.13385	0.8
397.16513	1.3
409.16711	0.7
447.09415	0.3
451.10358	5.6
452.10632	0.8
453.11295	0.7
459.16711	2.4
488.25494	0.3
489.14398	7.2
489.26956	7.3
490.14291	1.1
490.27487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67916	0.3
59.01371	1.4
67.03004	0.4
71.01388	0.6
71.06329	1.0
74.02471	1.1
82.03007	0.7
84.04565	1.1
85.02957	0.9
88.56275	0.3
89.02474	0.7
93.03432	0.6
100.04070	0.5
101.02477	1.1
101.07236	0.4
102.05623	37.4
103.05950	0.8
105.47095	0.3
109.04073	0.7
110.04450	0.4
111.12338	0.3
116.03569	0.6
119.03461	0.4
125.03560	0.8
127.05132	4.3
128.03555	29.5
128.05528	1.3
129.03903	1.5
130.72261	0.4
138.75372	0.3
145.01491	1.8
145.06213	23.5
146.04620	100.0
146.06371	9.1
147.04985	3.4
147.06670	0.4
167.67522	0.4
191.05629	10.5
236.22894	0.4
281.03595	0.4
341.10880	0.8
342.11386	0.9
413.39136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
58.02977	0.6
58.25011	0.2
59.01384	2.0
67.03034	0.3
71.01392	1.8
71.59890	0.3
71.70552	0.5
72.00906	0.7
72.04537	0.3
72.99306	0.3
73.02948	0.7
74.02474	1.9
82.02988	1.0
83.01390	0.3
84.04562	2.7
85.02963	0.6
86.02493	0.4
89.02457	2.2
93.03459	1.0
93.54695	0.2
97.04095	0.7
98.02478	0.7
99.00867	0.3
99.05660	0.5
101.02453	3.6
101.07230	1.5
102.05621	12.7
105.51505	0.3
107.02541	0.6
109.04094	4.0
111.04516	0.4
113.02503	0.4
116.03439	0.3
119.03533	0.9
125.03584	3.3
127.05155	16.5
128.03555	15.2
137.02455	0.4
145.01468	6.0
145.06212	100.0
146.04616	36.2
146.06345	3.3
173.04515	1.7
179.05643	1.0
191.05666	0.6
196.18095	0.2
236.91443	0.3
250.60077	0.3
267.70087	0.3
313.11374	1.2
341.10889	4.5
341.14633	0.3
342.11435	0.4
389.19171	0.3
417.39590	0.2
513.85590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.2
67.41339	0.3
69.57235	2.1
77.74957	0.3
81.03465	0.3
83.05046	0.9
111.04550	0.7
122.39373	0.3
125.06062	0.3
145.05093	0.5
205.05058	0.6
219.06731	0.9
220.07384	1.2
223.20609	0.5
233.08037	0.3
235.09818	0.5
252.06506	0.7
285.20682	0.6
287.13089	0.6
341.17499	0.6
381.82236	0.3
427.24905	9.5
427.30472	0.6
428.20050	0.4
428.25116	1.9
443.28070	0.5
445.57977	0.3
487.28897	2.9
488.28320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60984	0.3
57.03455	1.2
59.01387	8.8
61.98833	12.1
71.01383	4.0
71.71766	0.5
73.02966	0.5
74.02465	0.5
75.00887	0.6
78.95905	0.9
85.02964	1.6
87.00906	1.1
89.02462	3.0
93.03472	1.1
96.96024	2.2
96.96988	1.3
99.00911	0.8
101.02472	2.6
102.71590	0.4
110.03370	0.4
111.04527	0.5
113.02484	1.8
116.92894	2.7
119.03518	0.6
121.02988	1.0
125.02472	1.9
135.04509	1.3
136.04866	0.8
137.02489	0.8
138.98618	1.4
139.99481	0.5
141.00186	0.5
148.09009	0.4
151.00409	1.8
151.04021	0.8
152.00752	0.8
153.00201	1.1
161.04593	0.6
163.04074	0.5
167.05435	0.7
167.98924	1.2
168.99670	13.7
170.00032	0.8
173.04549	1.2
174.04863	0.5
175.07614	0.6
179.05656	0.6
179.99039	0.7
180.99675	22.0
182.00063	1.3
187.07655	0.7
188.08057	0.7
189.05598	1.3
190.06281	0.5
191.05591	4.1
191.07184	5.7
192.05962	1.2
192.07623	0.7
193.06212	0.5
195.04861	4.8
196.05365	0.8
202.06209	0.6
205.05090	0.5
207.10281	0.7
209.06412	3.2
214.65681	0.4
222.89471	0.5
223.04358	18.9
224.05135	95.4
225.05469	6.9
227.06715	0.6
231.10226	1.1
232.10645	1.0
238.06738	0.9
239.07483	84.1
240.07787	6.8
261.05518	1.3
267.15967	3.1
276.09653	0.5
283.02533	0.6
287.05490	0.7
288.06015	1.1
291.01007	0.4
293.08344	0.7
310.38559	0.4
326.10559	0.7
327.01288	1.0
345.15598	0.5
386.10437	3.4
401.12775	100.0
402.13080	11.9
450.10287	0.9
450.15598	1.2
487.25009	0.5
488.16229	3.6
488.25687	1.7
489.14969	0.8
489.27350	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	487.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75860	0.2
53.77569	0.2
53.83119	0.2
58.18483	0.2
59.01387	1.1
61.98833	2.5
63.02400	9.8
64.02728	0.3
64.05736	0.2
65.00326	5.9
70.85103	0.3
70.85445	0.5
71.01399	0.4
78.72414	0.2
83.01392	7.0
84.01752	0.3
85.02942	0.2
93.03458	0.3
95.01415	0.6
107.01405	15.7
108.01689	0.4
123.00898	0.5
124.01686	1.4
125.02480	0.7
133.02931	0.3
134.03795	0.4
137.19511	0.2
149.47957	0.2
149.99594	2.0
151.00392	25.0
152.01166	3.2
162.05406	0.2
169.01439	5.1
172.05298	0.9
173.04678	0.4
173.06087	1.0
175.07692	0.2
178.02728	0.2
209.06107	0.4
211.07831	0.2
213.02092	0.3
213.05426	0.3
214.92007	0.2
217.01474	0.3
220.05159	0.2
225.05602	1.0
226.06303	0.7
227.03410	0.3
235.07695	0.8
237.05627	0.6
239.03506	0.3
241.04999	0.3
242.02179	1.2
249.65619	0.2
251.07066	0.8
253.05061	0.5
255.06743	0.3
258.01855	0.3
263.07083	0.5
265.05048	0.4
267.02853	0.2
267.06677	0.9
268.07343	0.3
269.00897	1.4
269.08081	0.2
270.01685	0.2
277.05072	0.3
278.05948	0.4
279.06677	1.5
280.06912	0.3
281.01675	0.4
281.04572	5.2
281.07602	0.3
282.01886	0.3
282.04736	0.5
283.02441	2.4
284.02988	0.3
295.06107	3.7
296.06812	1.3
297.07544	0.5
298.77393	0.2
305.04779	0.3
306.05377	3.2
307.06116	10.6
308.06534	1.7
309.04092	4.1
310.04559	0.6
323.05621	22.5
324.06360	30.6
325.07062	13.2
326.07391	1.3
367.08234	1.2
397.09232	0.6
487.12451	100.0
488.12796	16.6
494.74237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53361	0.2
59.01381	2.4
59.76770	0.2
61.98831	9.2
63.02069	0.4
63.02400	7.4
64.02740	0.2
64.99981	0.4
65.00321	4.7
66.00652	0.2
69.03466	0.2
70.58855	0.7
71.01374	0.5
79.01874	0.3
83.01394	5.5
83.11927	0.2
84.02207	0.2
85.02956	0.2
89.02457	0.2
93.03468	1.1
95.01366	0.5
98.20567	0.3
101.02486	0.4
107.01404	11.3
108.01772	0.4
110.00224	0.2
111.04539	0.3
113.02496	0.2
123.00896	0.4
124.01672	1.3
125.02438	0.6
125.06125	0.5
134.03743	0.7
135.04547	0.3
149.99602	1.2
151.00392	16.1
152.01208	2.3
169.01430	4.6
171.04558	0.2
172.05263	0.6
173.04565	1.6
173.06088	0.9
178.02788	0.3
181.08623	0.4
191.05679	0.5
199.03972	0.3
209.06078	0.4
209.11874	0.2
223.07602	0.3
225.05666	0.4
226.06319	0.4
230.02185	0.3
235.07681	0.7
237.05478	0.2
241.01517	0.3
242.02081	0.3
251.07094	0.8
253.05037	0.5
255.02774	0.3
255.85049	0.2
258.69958	0.2
263.07178	1.0
265.04987	0.4
267.02991	0.3
267.06631	0.9
269.00870	0.8
271.02533	0.2
272.03116	0.4
273.04062	0.6
277.05157	0.3
278.05823	0.5
279.06677	1.4
280.03650	0.3
281.04559	4.0
283.02435	2.4
295.06128	2.4
296.06842	0.8
306.05341	8.6
307.06094	12.1
308.06451	1.4
309.04047	2.7
309.07275	0.3
310.04474	0.4
323.05606	13.2
324.06329	13.0
325.07111	9.5
325.20212	0.9
326.07462	0.7
333.20828	0.9
337.07147	0.3
343.08267	0.6
349.07031	0.5
352.08038	0.3
367.08194	1.0
389.19711	0.8
390.06009	0.3
397.09152	0.5
449.14603	0.5
469.11456	2.2
470.11557	0.5
487.12442	100.0
488.12766	16.9
488.23245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
58.38725	0.5
59.01379	4.0
70.02986	0.7
71.01391	6.7
71.70935	0.6
72.99319	1.1
73.02973	1.1
74.02488	1.3
82.02975	0.7
84.04546	3.2
85.02979	2.4
88.89046	0.6
89.02459	3.6
93.03487	2.8
98.02518	0.7
99.04539	1.3
101.02457	4.1
101.07218	1.6
102.05631	12.6
109.04101	3.9
111.04515	0.9
113.02481	1.0
115.00396	9.5
119.03559	1.2
119.05066	0.7
125.03593	3.4
127.05167	17.6
128.03557	18.8
128.05513	0.7
131.41808	0.6
133.01462	17.9
133.02963	0.8
134.03790	0.8
135.04553	11.5
137.02444	1.1
145.01506	4.2
145.06219	100.0
146.04625	37.2
146.06348	2.7
155.03583	0.8
161.02444	1.4
161.04588	2.6
173.04544	5.1
179.03519	13.2
179.05284	0.9
179.05771	1.0
180.03940	1.1
191.05643	28.6
192.06039	1.4
221.83215	0.6
244.77538	0.6
286.53647	0.6
289.07239	1.6
295.10391	1.9
313.11404	1.7
341.10861	5.0
353.08807	22.3
354.09045	2.3
375.06909	1.2
445.55759	0.7
472.54962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
59.01380	1.2
61.98833	100.0
62.98554	0.2
67.57662	0.1
69.86710	0.7
71.01392	0.5
71.01771	0.1
73.02984	0.1
87.00886	0.4
88.98830	0.7
89.02444	0.2
93.03468	0.3
95.52129	0.1
96.37749	0.1
101.02474	0.2
109.02992	0.2
116.92881	0.2
119.05113	0.1
119.44794	0.2
123.04582	0.4
125.02412	0.2
128.03554	0.2
133.03040	0.2
137.02463	0.2
143.04642	0.3
149.04662	0.2
151.00415	0.2
151.04031	0.2
173.04625	0.3
180.04353	0.4
181.05089	1.2
242.40327	0.2
307.06479	0.2
308.07190	0.3
323.05783	0.2
325.07367	0.4
343.10220	0.7
487.10333	1.6
487.24347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01083	1.3
59.01382	21.2
61.98837	30.4
65.00334	0.7
71.01393	5.8
71.72491	1.1
72.99321	2.3
73.02962	2.1
75.00887	2.4
83.01398	1.1
83.05039	0.8
85.02970	1.0
87.00872	1.2
88.98813	1.0
89.02477	3.4
93.03474	2.6
95.05050	1.4
99.92583	0.7
101.02461	4.6
102.05637	0.8
108.02208	1.0
109.02972	25.8
110.03300	1.0
111.04502	1.2
113.02455	2.7
114.93430	15.3
116.92901	1.3
119.03517	1.7
119.05033	1.3
121.02985	1.8
123.04542	10.3
125.02472	2.3
128.03577	2.5
133.02950	3.6
135.04576	0.9
137.02460	3.2
145.02997	1.2
147.04541	1.9
149.02486	1.5
150.03226	1.3
151.00385	1.0
151.04025	7.5
155.03644	0.9
159.04504	1.6
161.02477	8.2
161.04642	0.9
161.06078	0.9
161.09689	0.9
162.03160	1.3
163.04030	0.7
165.09251	0.9
173.04587	8.1
173.06012	1.2
174.05002	0.8
175.03993	1.4
175.07570	0.9
177.01959	25.6
177.03523	1.6
178.02333	2.2
187.03973	3.8
187.07698	3.8
188.04799	2.5
189.01958	31.7
189.05592	1.0
190.02676	10.3
191.03690	5.3
191.05431	5.0
202.06317	1.2
203.03490	3.2
203.10880	0.7
209.08200	5.0
209.11870	1.0
216.00659	7.7
217.01424	23.6
218.02097	2.9
219.02991	9.2
220.03326	0.9
222.01694	0.8
227.07230	1.5
229.08664	2.8
231.03009	8.8
231.10184	3.9
232.03654	1.0
234.44218	0.6
239.12836	1.7
250.98985	0.7
255.71222	0.8
264.04080	0.8
265.10895	1.9
265.14444	2.6
275.09198	2.6
281.04581	10.2
282.05093	1.7
283.11856	2.0
289.07281	3.6
297.07581	6.4
298.08047	0.9
299.05640	3.9
307.06143	0.9
307.19168	2.7
323.05746	1.2
341.06689	100.0
342.06992	12.7
358.17645	0.9
389.19659	1.4
449.14737	1.1
451.10370	69.9
452.10654	11.4
487.12329	1.2
487.25693	13.1
488.25635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2911
Annotation	ZHANKUIC ACID C
Peak:m/z	Relative Intensity
55.77592	0.9
59.01380	1.3
61.98830	1.4
65.92173	0.9
71.72688	1.5
78.95915	2.6
82.22409	0.9
83.01397	2.5
95.01384	1.0
121.37994	1.2
137.02498	1.6
151.04047	2.0
152.99597	3.1
163.03998	2.2
166.02620	1.0
175.11195	1.0
179.03554	1.8
180.04298	3.6
191.03540	3.6
193.05074	1.9
205.05061	9.6
205.08699	10.4
206.05263	1.2
206.09180	1.0
207.06644	1.2
209.04567	3.5
210.05327	3.0
217.05020	3.0
221.08208	2.7
231.06767	1.5
233.08208	1.3
235.06094	7.1
235.09784	2.0
247.09752	18.3
248.10147	1.4
255.23326	8.5
256.23682	6.0
257.23901	7.8
259.09756	9.5
260.10312	1.8
261.11270	2.0
271.09894	1.1
277.10818	28.3
278.11423	4.4
289.14459	1.0
301.14511	3.6
343.15549	6.5
344.15631	1.1
355.15384	2.1
356.15906	0.9
361.16776	1.6
373.16296	6.1
373.20404	2.4
413.27234	2.6
426.56598	1.1
443.28369	1.4
455.28244	1.8
467.28064	1.8
468.27939	1.2
485.29062	100.0
486.29333	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	486.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95594	0.5
57.03457	0.7
59.01387	2.2
59.17606	0.6
61.98832	11.9
62.71844	0.6
63.02399	4.5
65.00327	12.9
71.01389	1.8
71.19608	1.2
72.36496	0.7
72.99299	0.7
79.93098	0.7
81.03508	0.6
83.01401	8.5
84.96655	0.6
90.32006	0.5
91.77574	0.6
96.96033	0.9
101.87203	0.6
102.02059	0.5
107.01403	24.6
108.02259	1.1
109.02972	39.3
110.03326	1.5
112.01853	0.6
115.00389	3.3
119.05030	2.2
121.15108	0.6
123.04538	0.7
125.02459	8.4
125.03316	0.8
133.01466	8.2
133.02982	0.7
135.04559	0.8
137.02522	0.8
149.02560	1.3
151.00395	96.7
152.00728	4.6
161.02498	1.0
163.04048	1.8
169.01442	7.3
175.04012	0.6
191.05609	5.4
192.06059	1.0
193.01524	0.7
199.03935	1.4
226.06395	1.8
243.03059	4.2
244.03439	1.0
259.02591	0.9
261.04037	96.1
262.04373	9.3
313.05624	2.0
353.08698	1.4
389.12369	1.0
423.09335	100.0
424.09686	15.5
432.67642	0.8
487.05472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40434	0.4
57.03457	0.4
59.01366	1.4
60.99309	14.4
61.98823	2.0
65.00307	0.5
67.01905	0.6
71.01391	0.9
71.71563	0.6
72.99300	0.6
85.02971	0.9
87.00865	0.7
88.98815	100.0
89.99149	1.4
93.03479	2.7
102.14974	0.4
107.01417	0.5
109.02961	1.3
111.04535	0.6
111.58561	0.4
121.02920	0.7
124.01558	0.4
125.02452	1.1
126.90419	2.6
129.01909	0.4
134.03746	1.8
135.04532	0.6
136.01695	0.7
137.02481	0.5
149.02472	0.6
150.03201	0.9
151.00409	4.1
151.04010	2.1
151.07681	0.5
152.01222	0.6
159.04616	0.7
160.64648	0.4
162.06767	0.4
173.04578	3.5
173.06050	0.9
175.04128	0.6
177.01932	0.6
178.99945	0.7
187.04085	0.7
187.07677	7.1
188.08041	0.8
191.05620	6.1
199.03981	0.5
201.05588	1.2
202.06363	4.1
203.07005	0.5
217.05022	2.1
218.05858	3.5
231.06638	0.8
231.10243	7.7
232.10536	0.8
243.03004	0.9
247.09756	10.5
248.10175	0.8
257.08160	0.8
261.03946	2.5
273.07104	0.4
275.09244	23.1
276.09683	2.7
285.04019	1.5
293.10434	0.5
303.05234	0.7
305.10400	0.6
311.11429	1.1
395.13486	23.6
396.13882	2.9
397.24509	0.5
449.10992	2.8
450.10770	0.5
467.15512	2.8
485.16980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82334	0.8
57.03442	1.6
59.01357	1.3
65.00333	15.5
71.55921	1.0
83.01411	7.3
83.47846	0.9
98.20649	2.3
101.10114	0.9
107.01410	24.4
109.02992	1.1
121.02938	1.6
123.04555	6.8
124.01686	3.4
125.02466	25.3
125.05703	1.0
133.02985	2.1
135.04546	2.6
148.04982	1.2
149.02455	3.1
150.03249	14.8
151.00392	100.0
151.04019	20.6
151.83205	1.0
152.01190	15.0
152.04324	1.2
153.01839	1.5
153.32320	0.9
169.01479	1.3
171.18294	0.9
174.03091	1.2
175.04002	3.1
177.01920	5.3
178.99878	18.2
180.00296	2.0
181.01437	1.2
189.05580	1.3
199.04030	4.6
217.05057	2.7
229.47249	1.2
241.05042	3.3
257.04620	1.5
259.06155	2.4
275.05576	1.3
285.04050	53.7
286.04370	5.5
297.09628	1.9
302.04294	3.2
303.01675	1.7
303.05109	30.5
304.05493	4.9
323.07620	2.7
335.66690	1.1
389.17944	1.0
449.10898	69.8
450.11221	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	485.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01379	9.0
60.99322	1.0
61.98832	26.0
65.00334	3.8
67.01900	2.1
69.03474	1.8
69.96116	3.1
69.96532	3.0
71.01398	5.7
72.99329	1.6
73.02965	1.1
78.95902	2.1
81.03465	2.0
83.01389	1.8
83.05044	1.3
84.28468	1.0
85.02967	9.2
87.00889	6.1
87.04593	0.9
88.98808	1.1
89.02457	3.0
89.89587	1.0
93.03472	18.4
94.03812	1.0
96.96024	1.4
98.19931	1.3
101.02497	1.6
107.01400	5.8
109.02974	3.4
111.04514	6.6
113.02495	1.3
116.68082	0.9
119.03573	1.1
121.02998	2.4
125.02500	2.6
127.04017	1.7
129.02019	1.1
134.03767	1.5
135.04550	23.2
136.04871	1.1
137.02495	3.4
146.03790	3.3
149.06105	1.8
150.99167	2.3
151.00391	39.0
151.04047	1.8
151.07715	2.9
152.00862	1.7
155.03525	5.7
158.03767	4.1
159.04550	6.7
159.08157	3.2
161.02518	1.5
172.05312	7.7
173.04575	43.4
173.06093	17.7
174.03235	3.0
174.04836	1.8
174.06870	7.8
175.07675	6.1
178.99782	1.2
184.53149	0.9
185.09665	1.7
187.04143	9.7
187.07663	100.0
188.08034	6.5
190.94814	1.2
191.05632	89.7
192.05978	4.3
198.07062	1.0
201.05566	9.9
201.09241	1.9
202.06378	44.2
202.10017	4.7
203.07069	6.7
203.10780	9.0
204.04250	1.6
213.09267	8.9
215.07208	5.7
215.08940	1.1
216.07884	5.4
228.04321	1.2
229.08620	5.8
231.06990	5.2
231.10266	95.7
232.10609	6.6
243.02998	2.1
255.02988	2.8
257.08270	5.3
260.02930	1.3
271.02551	7.2
272.02875	5.5
273.03915	2.4
274.04395	2.5
275.09256	65.6
276.09512	7.9
285.03952	1.7
287.05597	18.1
288.05960	2.0
300.02719	15.1
301.03488	10.9
302.03867	9.2
302.69406	1.2
303.04764	2.1
317.03067	2.6
318.03412	3.8
352.46039	1.2
385.48428	1.0
404.06876	7.9
447.09326	13.6
448.09433	2.7
449.09860	10.2
449.15582	33.9
450.15689	6.0
450.86322	1.0
467.15698	3.0
485.12015	11.5
485.17468	1.6
485.23526	1.5
486.11920	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	484.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48474	0.9
59.01377	2.7
61.98822	2.0
66.17427	1.1
71.01390	1.6
71.05322	3.1
75.78591	1.0
77.05657	1.1
85.02959	2.5
93.03474	1.3
96.96009	1.7
96.96958	1.0
109.02943	1.7
151.00388	2.7
161.02415	1.3
173.04547	2.9
176.04759	3.3
177.09229	3.6
187.07605	2.2
191.05621	23.6
205.08670	6.9
249.11324	5.8
258.01703	31.0
259.02393	13.4
267.12347	2.1
271.02499	18.1
272.03152	8.9
273.04013	13.5
283.02527	1.4
285.04059	4.7
298.01019	1.4
301.03543	83.5
302.03882	9.1
304.02368	1.9
313.03564	7.6
331.04590	51.9
332.04904	5.2
343.04440	1.4
411.61871	1.1
421.07773	100.0
422.08182	13.8
467.15475	5.0
472.37210	1.2
485.16757	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	483.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75548	2.4
85.06596	1.6
86.37907	0.4
99.01166	0.4
107.08688	0.6
109.06602	1.0
111.04538	5.9
115.72355	0.4
118.95921	0.5
163.03847	0.4
170.84796	0.4
172.94850	0.4
177.09256	0.6
177.12836	1.0
194.05832	1.9
205.05017	0.7
205.08727	2.2
207.06642	1.2
217.12363	1.1
219.06638	5.8
220.07210	0.6
221.08205	0.5
229.12329	0.7
231.06644	0.8
231.13928	1.0
233.08188	3.1
245.08197	2.7
245.15482	0.7
247.09756	1.5
247.13396	1.2
261.11264	1.8
261.18518	0.8
263.12842	0.9
269.15704	0.5
271.09839	0.7
273.11383	2.2
275.12878	26.9
276.13211	2.7
287.12848	4.2
288.13553	0.6
289.14410	4.9
299.12894	0.6
301.14618	2.1
303.12302	0.8
309.73114	0.5
311.20511	0.6
313.14221	0.9
313.21848	1.0
315.15958	1.8
329.17456	2.2
331.15741	0.9
343.19165	2.1
344.20157	0.6
346.17780	1.2
353.17459	1.1
357.20740	28.8
358.16763	0.8
358.20993	4.0
359.18762	3.3
371.18637	30.7
372.18997	4.7
399.21973	2.3
400.22153	0.5
413.23547	0.7
414.24048	1.9
415.24448	0.7
424.30807	0.5
439.32098	6.7
440.32629	1.4
483.31171	100.0
484.31522	21.8
484.38742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07553	0.3
64.11340	0.2
71.50109	0.5
77.27862	0.2
87.52613	0.2
107.05051	0.4
109.06602	0.9
109.08752	0.2
111.04540	5.4
114.67634	0.3
120.23843	0.3
120.29192	0.2
123.08155	0.7
133.06630	0.3
136.01668	0.3
136.22583	0.3
149.02472	0.5
152.01103	0.5
155.73306	0.3
161.09734	0.6
163.04080	0.3
166.02725	0.4
175.11284	0.3
177.09204	0.6
177.12845	0.8
189.01982	0.5
190.02652	0.5
191.03532	0.5
193.05031	0.2
194.05894	1.3
203.07149	0.3
205.05078	0.8
205.08701	3.0
206.05826	0.4
207.06630	5.2
208.07399	3.2
217.08720	0.4
217.12436	0.3
219.06647	5.4
219.10083	0.6
220.07082	0.4
221.08208	1.8
229.12299	1.0
231.06700	0.9
231.13988	0.9
232.07283	0.7
233.08192	12.1
234.08479	0.8
245.08208	3.2
245.11896	0.5
245.15526	0.5
246.08801	0.6
247.13411	1.7
257.11917	1.3
259.09653	0.5
261.11353	1.8
262.12009	0.5
263.12717	0.7
269.11917	0.3
271.13455	0.4
273.11337	1.2
275.12885	40.5
276.13330	5.3
277.14249	0.4
287.12927	6.0
288.13519	0.6
289.14487	6.9
290.14951	0.7
301.14481	3.3
301.17773	0.6
302.14874	0.7
303.16034	0.6
315.15939	0.5
329.17639	0.6
331.15381	0.6
341.17624	1.8
342.18152	0.5
343.19141	1.4
345.16928	0.5
346.17841	0.4
353.17606	0.8
353.24777	0.4
357.16891	0.3
357.20709	5.2
358.21237	0.7
359.18680	2.9
360.18872	0.3
371.18631	25.2
372.19016	3.9
385.20389	0.7
397.24078	1.7
399.21744	2.0
413.23218	1.5
414.24060	3.6
415.24179	0.5
439.32220	1.1
446.22998	0.4
483.31168	100.0
484.31500	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88106	0.2
65.83825	0.2
71.72612	0.4
79.05538	0.4
83.05035	0.2
85.06588	0.4
87.04530	0.4
89.44890	0.3
95.05038	0.3
107.05014	0.6
109.02972	0.4
109.06606	1.0
111.04536	10.3
112.04897	0.3
119.08665	0.4
120.99995	0.2
123.04551	0.4
123.08194	1.5
133.06624	0.5
135.08215	0.4
136.01659	0.5
137.02431	0.6
137.09752	0.3
145.06686	0.2
149.02470	0.4
149.06050	0.5
161.02501	0.3
161.09732	1.6
162.03178	0.3
162.06831	0.3
163.00397	0.4
163.04089	0.4
163.07666	0.7
165.05614	0.5
167.07149	0.6
173.06082	0.3
175.11295	0.5
177.02007	0.2
177.09264	1.1
177.12843	0.4
178.06372	0.3
181.04958	0.2
187.07574	0.3
189.01917	0.5
189.05597	0.7
189.12775	0.4
191.03462	0.9
191.07121	0.3
192.07941	0.3
193.05049	0.7
193.12415	0.3
194.05630	0.4
203.06961	0.2
204.07881	0.4
205.05095	1.0
205.08708	6.3
205.12279	0.3
206.05777	1.0
206.08987	0.3
207.06636	9.6
208.07381	1.5
213.12791	0.3
215.10707	0.4
217.05112	0.4
217.12383	0.5
218.05762	0.3
219.06670	1.3
221.08223	1.3
229.12349	1.7
229.14308	0.3
231.06627	2.1
231.13896	2.8
232.07321	0.8
232.11073	0.3
233.08194	7.4
233.11691	1.4
234.08444	0.5
243.10236	0.5
245.08163	0.3
247.13385	4.3
248.13551	0.3
257.11783	3.1
258.12354	0.5
259.06293	0.3
259.09763	0.3
260.06802	0.3
260.10480	0.3
261.11304	8.6
262.11725	0.8
263.20074	0.3
264.10028	0.7
275.12881	89.6
276.10187	0.5
276.13251	10.4
277.10892	1.3
287.16486	0.3
289.10843	3.5
289.14465	5.5
290.11295	0.5
290.14703	0.5
294.06024	0.2
301.14536	0.8
301.18066	0.5
301.21396	0.2
302.11697	1.2
302.14709	0.3
302.18683	0.2
303.12277	0.6
331.15463	0.4
332.16266	1.4
343.19122	0.8
345.17078	9.1
346.17667	2.3
357.20786	0.5
359.18692	2.0
360.18671	0.3
371.18655	13.2
372.18912	2.3
380.57602	0.3
399.21725	0.8
409.71286	0.3
413.23285	0.6
414.24158	6.4
415.24515	1.3
483.31171	100.0
484.31509	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3114
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
69.60637	3.3
69.85276	0.4
73.90538	0.4
85.06612	0.5
87.04537	0.5
89.38160	0.3
91.55682	0.4
107.05040	0.5
109.06625	1.1
111.04538	6.6
119.08699	0.8
123.08169	0.7
124.44900	0.3
135.08238	0.5
137.02458	0.5
151.07776	0.4
161.09723	1.0
163.04019	1.0
163.07629	0.8
166.02730	1.1
173.06091	0.5
174.59476	0.4
177.09210	1.4
187.07605	0.5
189.01910	0.7
189.05678	0.4
191.03476	1.3
194.05859	0.8
204.08018	0.5
205.04941	0.7
205.08714	5.7
206.05843	1.0
207.06636	7.9
208.07425	7.7
214.66824	0.4
215.07193	1.1
219.06625	4.3
219.10136	0.4
220.07227	0.7
221.08214	4.7
229.12294	1.5
231.06668	1.6
231.13908	1.4
232.07208	0.5
233.08180	34.7
234.08444	2.3
245.08186	1.2
247.13461	2.7
257.09470	0.4
257.11710	2.4
259.09891	0.5
261.11343	2.4
262.11792	0.5
263.12817	0.4
271.13245	0.5
275.12875	85.7
276.13330	13.2
287.12827	2.9
289.14413	3.7
301.14606	1.1
318.53262	0.5
342.31143	0.4
353.17709	0.9
359.18484	2.4
360.18802	0.5
371.18622	22.4
372.18991	3.4
399.21826	1.1
413.23291	0.7
414.24161	3.2
415.24286	0.8
483.31158	100.0
484.31479	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	483.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68652	0.2
53.82747	0.3
65.98344	0.3
69.71928	2.2
80.07337	0.2
111.04540	2.1
115.10644	0.3
127.63854	0.3
151.79501	0.3
152.01201	0.4
194.05852	2.0
205.05031	1.0
205.08751	0.5
207.06648	4.3
208.07344	0.7
217.12350	0.5
219.06615	3.1
220.07364	2.1
221.07965	0.4
231.06676	0.4
233.08264	1.7
238.61618	0.3
243.10152	0.7
245.08163	3.9
245.11977	0.4
246.08647	0.6
247.13455	0.4
261.11307	0.6
273.11261	0.8
275.12857	6.7
276.13385	0.9
287.12851	2.0
288.13629	1.3
289.14520	1.5
295.13361	0.4
301.14496	3.2
313.14459	2.4
314.15048	0.4
327.19989	0.4
329.17664	1.0
343.19153	9.4
344.19693	2.1
346.17935	1.6
353.17899	0.5
357.16852	0.6
357.20734	3.3
358.21103	0.4
359.18604	4.4
360.18878	0.5
371.18643	29.7
372.19043	4.7
399.21793	1.7
400.22333	0.4
413.23328	1.0
414.24115	1.8
415.24496	0.4
439.32306	1.9
440.32370	0.5
483.31165	100.0
484.31488	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90350	0.3
57.03446	0.7
69.71867	2.0
69.72286	0.8
78.87607	0.3
85.06608	0.5
90.07236	0.4
109.06566	0.5
111.04534	5.7
120.95670	0.3
135.08167	0.8
136.01538	0.3
137.09824	0.5
140.84666	0.3
175.11330	1.0
177.09209	1.4
177.12973	0.3
193.05116	0.5
204.08029	0.4
205.05093	1.1
205.08742	0.6
207.06627	2.2
208.07405	1.5
219.06586	1.0
219.10283	1.9
220.07396	0.7
221.08189	3.1
231.06694	1.3
231.13870	0.4
232.07359	0.4
233.08220	5.3
243.13884	1.7
245.08195	1.1
245.15483	2.5
246.08923	0.7
247.13272	0.6
257.12064	0.4
260.69379	0.5
261.11331	3.3
261.15033	0.5
263.12695	0.5
271.13364	0.8
275.12897	12.0
276.13364	2.1
287.12781	0.5
289.14465	58.4
290.14841	5.2
301.14481	1.8
301.21744	1.1
329.17606	0.6
343.19217	2.9
346.18076	0.4
353.17868	0.7
357.20737	3.4
358.21146	0.5
359.18692	1.4
371.18649	10.1
372.19080	1.1
399.21719	0.5
414.24161	1.6
483.31177	100.0
484.31506	22.0
484.38739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73598	0.3
54.05279	0.3
57.03448	2.6
60.31086	0.3
70.24543	1.3
70.36173	0.3
71.04195	0.3
79.05547	0.4
79.15771	0.3
82.99819	0.3
85.06615	0.7
87.04494	0.4
92.87542	0.3
107.05065	0.3
107.97805	0.3
109.06599	1.2
111.04527	7.0
111.54111	0.2
123.23000	0.3
152.01192	0.9
172.40826	0.3
173.09740	0.3
175.11250	0.4
177.12881	1.1
193.05119	0.5
193.12347	0.4
194.05864	3.5
195.06503	0.3
199.11279	0.3
203.14420	0.6
205.05049	0.5
207.06694	1.8
208.07399	0.6
215.10852	0.4
217.12378	1.0
219.06622	10.2
220.07130	0.7
221.08098	0.3
227.00299	0.4
231.06590	0.6
233.08171	1.7
241.12498	0.4
243.06645	0.4
243.10413	0.4
243.13812	0.5
245.08067	2.0
245.15488	0.9
246.08687	0.5
247.09680	0.7
259.10114	0.4
259.13263	0.4
261.11292	8.9
262.11884	2.7
263.12643	0.9
271.09674	1.4
273.11273	0.9
275.12839	2.1
276.13449	0.4
285.11111	0.4
287.12909	8.8
287.16107	0.5
288.13428	1.7
289.14478	2.7
290.14963	0.4
299.12866	0.9
301.14554	0.9
311.20239	0.8
313.14478	1.5
313.21747	1.7
314.15332	0.5
328.16586	0.4
337.14542	0.5
339.19666	0.6
341.17563	0.5
343.19113	1.3
344.19745	0.4
353.17572	2.2
354.17944	0.6
357.20715	39.7
358.21051	6.2
359.18570	0.9
369.27719	0.8
371.18594	9.2
372.18936	1.0
381.20709	8.6
382.21191	1.4
395.22247	0.7
396.23096	0.9
397.23459	0.4
399.21732	0.5
414.24014	1.9
415.24463	0.4
453.50925	0.4
465.30109	0.4
483.31152	100.0
484.31470	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	483.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98943	0.3
69.35360	0.3
69.41859	0.4
69.42152	0.6
69.42440	0.6
69.58134	1.6
69.58620	0.9
81.21828	0.3
85.06583	0.3
87.04496	0.5
107.05004	0.3
109.06583	0.4
111.04536	5.8
111.05293	0.4
123.08212	0.2
133.06592	0.6
135.08202	0.4
137.02470	0.4
140.79739	0.3
151.07620	0.4
161.06039	0.3
161.09727	0.7
163.04077	0.8
163.07741	0.4
166.02730	0.9
177.09230	0.7
181.48950	0.3
190.02747	0.4
191.03528	0.8
191.07162	0.4
193.04988	0.4
193.12372	0.4
194.05841	1.0
203.07268	0.4
205.05072	0.6
205.08722	4.0
206.05827	0.6
207.06638	8.5
208.07413	8.5
209.07686	0.6
215.07161	0.7
217.12459	0.3
219.06654	3.6
219.10266	0.5
220.07201	0.3
221.08183	3.7
222.08508	0.3
229.12299	1.1
231.06648	1.3
231.13808	1.2
232.07321	0.6
232.14334	0.3
233.08188	28.7
234.08562	2.4
245.08138	1.1
247.13382	1.9
257.11792	1.8
261.11310	5.8
262.11877	0.9
263.12894	0.4
273.11319	0.4
275.12878	64.9
276.13376	10.8
277.14230	0.6
287.12933	1.7
289.14441	3.9
289.21762	0.4
290.14905	0.3
299.20081	0.4
299.83795	0.3
301.14462	1.1
308.12653	0.4
329.17480	0.4
336.58936	0.3
341.17691	0.4
343.19250	0.6
345.17093	0.4
353.17584	0.4
357.16907	0.5
357.20786	0.5
359.18820	2.9
360.19196	0.3
371.18634	24.1
372.19016	3.9
397.23734	0.7
399.21848	1.7
413.23138	0.9
414.24173	1.4
439.32373	0.4
469.94257	0.3
483.31155	100.0
484.31506	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02876	0.4
54.36694	0.4
55.46526	0.5
57.97622	0.4
65.06149	0.4
69.55476	2.2
69.55904	2.0
78.95907	9.0
80.82057	0.4
85.06593	0.8
87.04539	0.9
96.96958	0.9
98.72612	0.5
111.04564	0.6
113.06103	0.7
121.02989	1.3
123.08152	1.0
125.09743	1.2
135.04526	0.9
137.02501	0.5
140.96503	0.4
147.04512	0.6
152.99603	18.0
171.00607	1.1
185.21884	0.5
191.14459	2.6
227.03299	4.3
233.08173	0.8
245.04327	0.9
255.23285	100.0
256.23602	8.7
261.18506	2.9
275.12714	0.6
309.13477	1.6
311.20236	0.6
329.21335	1.9
330.21576	0.6
361.20059	0.8
439.24347	0.8
464.81805	0.6
483.26144	33.1
483.32050	11.1
484.26105	3.2
484.32028	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	483.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11238	0.4
57.03443	0.7
69.72008	2.6
77.05984	0.3
79.05509	0.3
85.06595	0.8
87.04518	0.4
102.52948	0.3
107.05060	0.5
111.04541	7.9
111.08098	0.3
114.59192	0.3
119.08623	0.5
123.08176	0.9
136.01704	0.5
137.02464	0.4
152.01120	0.3
153.66530	0.3
161.09727	1.2
163.00301	0.4
163.07648	0.7
163.11333	0.4
175.11293	0.5
177.09232	1.2
178.06361	0.3
187.07664	0.5
189.05656	0.4
190.02632	0.4
191.03490	0.7
193.05095	2.1
194.05843	1.0
203.29707	0.3
205.05092	0.9
205.08717	5.7
206.05882	1.0
206.09116	0.5
207.06642	6.3
208.07428	2.1
213.12967	0.3
217.12299	0.3
219.06673	1.4
221.08238	1.1
229.12341	1.7
231.06683	1.2
231.13904	2.4
232.07365	0.4
233.08179	8.2
234.08478	0.8
247.13388	3.2
257.11899	3.2
261.11340	3.4
262.12198	0.4
275.12891	100.0
276.13269	10.3
277.14374	0.5
285.18787	0.7
289.14484	1.8
353.17651	2.5
354.18109	0.5
357.16861	0.6
357.20770	1.4
359.18658	1.0
371.18643	4.6
371.22668	0.4
372.19162	0.6
395.22452	0.6
396.22943	0.5
413.23254	0.6
414.24228	1.2
415.24759	0.4
439.32352	0.6
483.31171	90.8
484.31506	19.6
484.38745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3115
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
52.52839	0.3
57.03453	1.5
65.46035	0.3
69.03494	0.7
70.00443	2.0
70.00787	0.4
78.95921	2.2
84.72761	0.3
85.06599	4.6
87.04552	0.9
104.65442	0.3
111.04549	2.9
113.06097	5.0
120.05869	0.3
121.03020	0.5
123.04575	0.5
123.08201	2.4
124.10613	0.3
125.09752	4.2
135.04558	4.1
135.08218	0.6
136.04938	0.3
147.04530	2.4
149.13344	0.4
151.07646	0.4
151.11310	0.7
152.99599	4.1
163.11336	0.7
175.11320	0.7
177.09241	1.6
177.12938	0.5
179.14485	0.7
189.09267	2.3
190.09987	0.4
191.10843	0.8
191.14438	11.9
192.14841	1.1
193.12354	0.7
195.14008	0.7
203.10858	0.6
219.17633	0.5
221.11865	1.7
227.03435	0.8
235.17088	0.6
243.17639	0.6
245.15549	0.7
255.23299	19.8
256.23669	2.1
259.17081	0.6
261.18622	9.1
262.19070	0.9
273.14948	0.4
275.12979	0.9
295.20209	0.3
311.20203	1.5
313.21979	0.5
329.21234	7.1
330.21735	1.0
331.22903	1.0
369.28140	1.0
371.18732	0.4
371.25879	0.5
413.27045	1.1
439.32159	0.7
465.30023	0.4
483.31387	100.0
484.31662	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	483.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.5
57.03436	2.3
57.52754	0.7
58.93864	0.7
59.01380	71.7
60.01703	1.3
60.25832	0.6
61.98516	1.1
61.98835	20.5
66.74763	0.7
68.32283	0.6
71.00984	1.4
71.01388	29.5
71.04436	1.8
72.99303	1.5
73.02951	13.6
74.02503	1.1
75.00878	0.9
78.84539	0.7
78.95910	1.5
79.40380	0.8
80.60650	0.6
83.01394	8.5
85.02961	18.6
87.00878	2.3
89.02468	4.5
95.01395	2.4
96.66344	0.7
96.96024	3.3
96.96960	1.1
99.00895	6.1
101.02454	39.5
102.02776	0.8
111.00835	0.9
113.02467	13.4
117.09495	0.8
125.02464	1.7
128.03546	2.9
129.01970	0.7
131.03522	41.2
132.03856	2.0
143.03592	1.3
143.04631	2.9
159.03043	2.4
161.04590	9.7
179.04538	0.7
199.13290	0.8
251.09203	0.8
254.07796	1.2
272.08890	2.1
291.18140	100.0
292.18481	11.1
300.02835	2.5
301.03412	2.4
306.07623	5.2
313.90436	0.7
335.17245	0.9
363.14233	1.5
417.50342	0.7
423.22351	37.9
424.22757	5.2
447.09134	4.0
447.22537	1.0
448.09537	0.8
450.15295	0.8
466.22537	0.7
483.19656	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	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03455	4.0
58.00598	0.8
59.01382	73.9
60.01720	1.1
61.98832	25.3
64.75542	0.6
69.37563	8.4
71.01389	34.6
72.99310	2.4
73.02953	14.5
74.03278	1.0
75.00878	1.2
77.06776	0.6
78.95917	0.7
80.79147	0.6
81.03449	0.7
83.01405	8.3
83.05032	0.7
85.02966	21.5
87.00898	1.7
87.04523	0.9
89.02474	3.9
93.03478	1.1
95.01384	1.8
96.95979	0.8
96.97005	0.9
97.02977	1.3
99.00893	6.6
99.04556	0.8
101.02460	43.2
111.00903	1.5
111.04488	0.9
113.02473	15.1
121.03011	0.9
123.04544	1.1
125.02489	3.6
129.01996	0.7
131.03522	34.3
132.03822	1.1
135.04445	0.7
135.08191	0.6
137.02444	1.9
138.65421	0.6
143.03511	2.1
151.00352	0.8
159.03001	3.2
161.04585	10.4
165.01929	0.9
167.10852	0.7
176.62280	0.6
176.96864	0.9
177.05580	2.3
191.05731	0.9
211.13356	1.0
271.02512	1.5
291.18130	100.0
292.18439	9.5
300.02737	3.2
301.03574	2.7
306.12616	0.8
312.04593	0.7
350.25961	0.7
363.14322	0.8
416.06879	0.7
423.22372	46.5
424.22656	5.8
447.09204	4.8
448.09506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73825	0.2
65.24030	0.2
71.72622	0.2
78.95470	0.4
78.95914	6.4
96.96968	0.7
137.62587	0.2
152.99608	14.2
153.99959	0.3
171.00656	1.3
227.03267	3.4
233.08302	0.2
245.04254	1.2
255.23285	100.0
256.23618	9.8
275.13019	0.3
309.13550	0.5
361.20401	0.3
479.71490	0.2
483.27325	34.2
484.27737	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	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96998	0.3
52.73630	0.4
60.96046	0.4
71.72934	0.7
78.95496	1.0
78.95995	15.6
84.40221	0.4
96.97066	1.5
111.04581	0.6
120.58292	0.4
136.62083	0.4
139.35242	0.4
152.99608	31.0
154.00044	0.7
171.00775	1.7
177.09259	0.6
205.08774	0.5
213.15883	0.4
227.03294	5.2
233.08134	0.8
245.04253	1.1
250.63829	0.4
255.23293	100.0
256.23618	9.2
261.18625	0.8
275.12903	2.3
283.00668	0.4
287.12827	0.4
318.16223	0.4
343.19089	0.9
371.18710	2.5
372.18658	0.5
373.23611	0.6
391.22397	1.0
483.26874	58.5
484.27252	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	483.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03439	3.2
58.00595	3.0
59.01379	70.8
60.01716	1.2
61.98839	10.9
69.27263	1.1
70.64460	0.9
71.01389	72.9
71.71885	2.3
72.99310	4.1
73.02950	15.4
75.00874	1.6
78.95905	2.3
83.01385	7.1
85.02958	21.8
87.00871	6.7
87.20705	1.0
87.43790	1.0
89.02454	63.9
90.02783	1.2
93.03450	1.9
95.01380	5.5
95.97401	1.0
96.96044	7.0
96.96972	2.2
97.02951	2.9
99.00897	5.6
99.92567	2.7
101.02458	62.5
102.02804	1.3
109.02953	1.2
113.02467	31.0
119.03529	25.3
124.03015	1.3
125.02434	5.2
131.03543	6.0
135.04558	1.2
143.03523	11.0
149.04572	2.7
161.04581	27.9
162.04976	1.5
173.04543	1.4
177.01903	3.2
179.05634	67.4
180.06049	1.5
191.05626	15.4
221.06654	17.6
247.09727	1.3
247.15515	1.6
261.13406	2.6
301.03482	3.2
331.04492	1.5
371.13577	1.6
421.07761	3.4
423.18726	100.0
424.19098	16.6
465.13657	1.4
483.15161	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33788	0.5
55.01879	3.3
57.03437	2.7
58.00578	1.4
59.01379	67.3
60.01696	0.6
61.98820	3.8
69.03420	0.9
69.40228	6.3
71.01386	34.9
72.01727	0.6
72.99311	1.3
73.02953	14.9
77.95735	0.5
83.01391	8.9
85.02435	1.0
85.02959	20.0
86.00096	1.0
86.25614	0.6
87.00888	1.8
89.02456	6.1
93.03444	1.1
94.03810	0.6
95.01402	2.3
97.02956	1.5
99.00898	6.7
101.02457	41.1
102.02793	1.2
111.00883	2.2
113.02463	16.4
122.03747	2.2
125.02450	1.3
129.01990	0.7
129.73558	0.6
131.03523	38.6
132.03883	0.8
135.04532	1.9
137.02472	1.1
143.03505	1.1
159.02995	3.2
161.04581	13.3
276.17307	2.8
277.18103	7.8
291.18134	100.0
292.18500	9.6
301.03439	1.5
306.69119	0.7
335.17392	0.8
423.22369	46.1
424.22684	6.5
439.23444	1.3
447.09314	1.3
483.21887	3.3
483.30673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.3
59.01377	1.5
60.99307	14.1
61.98825	1.3
71.01392	1.7
71.55546	0.3
71.70808	0.5
72.99316	3.0
73.02949	0.3
75.00876	6.1
76.01191	0.5
77.01295	0.5
78.95919	0.3
83.01395	0.5
85.02983	2.1
85.65273	0.3
87.00861	0.4
88.98814	100.0
89.02449	1.0
89.99168	1.0
93.03475	0.8
94.58799	0.3
101.02466	0.9
109.02981	1.0
113.02480	0.5
120.99683	2.3
123.04558	0.4
125.02480	0.5
137.02443	0.6
149.06165	0.4
151.00458	0.3
151.04056	0.4
161.02509	0.4
165.09146	0.6
173.04543	0.9
175.04050	0.4
187.07719	0.5
189.09262	0.6
191.05611	5.2
191.07079	0.2
192.05896	0.4
199.03960	0.4
200.04626	0.3
203.07169	0.4
217.05049	0.4
229.08727	0.6
233.09216	0.3
234.15015	1.1
237.04073	0.4
243.03081	1.8
243.12376	5.1
244.03172	0.4
244.12708	5.9
245.12849	2.4
247.09677	0.5
257.13901	1.4
258.14218	1.0
259.14417	0.4
261.04013	4.5
262.04459	0.7
277.07025	0.4
291.08755	0.7
302.13248	0.4
303.13388	0.5
319.13977	4.8
320.14331	8.0
321.14487	5.8
355.15961	0.4
361.15109	0.9
363.15274	0.4
393.08313	0.9
411.09067	0.5
422.17154	0.3
423.18478	0.5
465.14194	0.5
482.19571	2.0
483.14087	0.7
483.20126	3.8
484.18771	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	483.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81593	0.2
59.01379	1.5
60.46238	0.2
61.98809	0.6
63.02388	0.5
65.00315	0.8
67.48792	0.2
69.73282	1.0
69.73717	0.7
71.01379	1.0
71.56904	0.2
73.02942	0.2
82.68699	0.2
83.01390	0.8
83.01990	0.2
85.02966	0.4
87.00847	0.2
89.02447	0.8
91.01908	0.4
93.03461	0.6
96.96028	3.8
96.96957	0.4
101.02462	0.7
107.01402	3.1
108.02186	0.9
109.02966	1.6
113.02494	0.4
121.02963	2.6
121.36126	0.2
123.08185	1.9
124.01685	0.3
125.02365	0.3
135.00891	0.6
148.01720	0.9
149.02571	0.5
151.00400	12.2
152.00763	0.4
161.02628	0.3
163.00417	3.8
164.01137	0.5
169.01439	0.6
175.03996	0.3
178.99896	6.7
180.00285	0.3
183.04605	0.3
185.06081	0.2
187.04050	0.4
190.99919	0.6
191.05623	0.5
192.05971	0.3
193.05972	0.4
199.03951	0.6
201.05510	0.8
203.03531	0.3
204.11589	0.3
205.05037	1.1
211.03960	1.3
215.03644	0.3
216.04184	0.3
226.02754	0.6
227.03543	2.1
229.05037	0.8
239.03665	0.3
243.02985	6.1
244.03471	0.6
245.04594	1.8
254.02281	1.7
255.02982	19.8
256.03409	1.8
257.04599	0.3
266.01959	0.3
271.02478	35.2
272.02911	4.2
273.04044	1.7
283.02481	1.7
284.02963	0.2
288.00107	0.2
289.06937	0.3
290.50806	0.3
299.01889	0.8
300.02771	69.3
301.03506	51.4
301.07184	0.6
302.03915	4.4
385.11456	0.5
447.09344	100.0
448.09659	16.9
483.16031	0.4
483.22311	4.0
484.22894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2593
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
57.03437	0.5
65.14465	0.2
69.49014	0.2
70.16296	1.0
70.16689	0.5
80.34352	0.2
85.42290	0.3
119.05028	0.6
121.02982	0.5
123.04461	0.2
145.02969	4.4
145.06581	0.5
146.03265	0.2
149.02461	0.8
150.03264	0.8
157.06648	0.2
177.00450	0.4
177.01952	5.2
178.02742	1.2
191.03496	0.6
211.07619	0.8
213.05586	0.3
214.06267	0.2
219.06685	0.7
227.07153	4.0
228.07742	0.9
229.90678	0.2
241.05139	2.1
242.05833	2.7
243.06577	0.7
243.13860	0.5
254.05592	0.2
255.06621	80.9
256.07208	15.2
257.07782	0.5
267.06482	0.5
269.08185	3.0
269.15405	0.5
275.09250	0.5
276.10089	0.3
277.10760	0.3
295.09720	0.4
321.18396	0.5
323.12662	0.3
334.14197	0.7
335.12885	0.7
353.13977	10.3
354.14355	1.3
355.15439	1.7
356.15988	0.2
384.19479	0.5
395.18576	0.6
397.16660	0.4
403.21255	0.4
411.18051	2.1
412.18893	5.3
413.19373	1.1
437.26883	0.6
481.25937	100.0
482.26251	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73729	0.2
57.03452	0.3
59.01380	1.0
60.01706	0.2
60.99310	0.3
61.98831	100.0
62.98554	0.3
67.01894	0.6
67.39135	0.2
69.77541	0.7
69.77969	0.6
71.01385	1.7
73.02958	0.7
78.95926	0.5
81.03439	0.2
83.01412	0.2
85.02979	0.5
87.00909	1.0
89.02475	0.2
91.73186	0.2
93.03465	4.4
94.03803	1.3
95.41656	0.2
96.96008	1.0
96.96966	0.6
97.06634	0.3
101.02473	0.9
104.90994	0.2
107.05053	0.6
108.89500	0.2
109.02997	0.3
111.04530	0.8
112.04869	0.3
113.02496	0.6
119.05106	0.3
121.02972	0.2
122.03737	0.3
123.04518	0.3
124.01682	0.4
125.02497	0.5
127.06359	0.2
129.02049	0.2
133.02985	0.7
134.03773	4.0
135.04559	10.2
136.04935	2.2
137.02466	0.7
137.05995	0.2
138.02846	0.2
139.00418	0.2
139.04054	0.7
148.05316	0.2
153.01955	0.3
155.03522	0.6
160.05280	0.3
161.04669	0.3
161.06001	0.5
163.04063	0.6
164.04829	0.5
167.03545	0.2
173.04572	2.8
174.04956	0.8
175.07695	0.7
176.08432	3.7
177.01915	1.3
177.09200	7.6
178.02702	4.1
178.09573	2.5
179.03130	2.5
180.03853	0.3
181.04991	0.3
187.03922	0.2
187.07776	0.2
188.08484	0.3
191.05685	0.8
191.07234	0.2
191.10912	0.2
192.07487	0.2
205.08762	0.4
209.08189	0.3
219.10298	0.2
231.10330	0.6
232.10590	0.6
243.02753	0.3
244.02657	0.3
255.03212	0.2
256.14661	0.4
257.15424	1.3
258.04941	0.5
258.15799	1.1
259.05112	0.6
260.05414	0.6
261.11215	0.4
270.58929	0.2
271.02383	0.3
274.15720	5.0
275.09317	1.2
275.16409	11.6
276.09677	0.9
276.16858	6.8
277.07144	0.4
277.17117	0.4
278.07581	0.6
284.09052	0.5
285.09409	0.2
300.02811	0.7
301.03616	0.5
307.11908	1.6
308.12210	1.8
309.12680	0.3
317.17422	0.2
339.14642	0.5
355.43390	0.2
366.12842	0.2
390.58917	0.2
438.22040	0.3
447.09601	1.0
450.14670	0.5
481.16852	0.4
482.16748	2.3
483.18164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94611	0.3
54.49606	0.3
67.01884	0.3
69.63868	2.4
80.74353	0.3
81.65170	0.3
85.06592	0.3
91.01937	0.3
97.02965	0.5
107.52733	0.3
109.02995	1.8
119.05054	1.2
121.02987	0.7
123.04542	1.6
137.02480	1.1
138.03233	0.9
141.09236	0.6
145.02969	8.1
145.04099	0.5
146.03273	0.7
147.04536	1.3
149.02515	0.4
150.03259	0.5
157.06560	1.0
162.02628	0.3
163.00333	0.3
163.04073	0.3
165.01971	1.2
166.02727	3.9
169.06514	0.4
171.08174	1.7
176.06604	0.3
177.01949	3.0
178.02583	0.6
179.03519	8.2
180.03812	0.5
187.77556	0.3
191.03514	5.8
192.04074	0.6
192.08046	0.3
193.05109	2.4
199.07646	0.8
201.05664	0.3
211.07626	0.8
213.05661	0.3
214.06364	0.3
225.09195	2.3
227.07143	2.7
228.07735	0.4
228.39975	0.3
241.05051	3.5
241.08745	0.4
242.05804	2.9
243.06609	9.8
244.07112	0.9
255.06630	20.4
256.07202	3.2
264.10010	7.7
264.12183	0.2
265.10455	0.8
269.08182	33.0
270.08594	3.7
272.06558	0.5
281.08344	0.3
295.09726	0.8
295.17026	5.0
296.09039	0.4
296.17368	1.1
334.14368	0.4
341.13947	4.6
342.14609	1.8
365.21207	0.5
369.13351	1.0
379.15518	0.7
393.17123	0.4
394.18018	0.6
395.18585	0.7
411.18259	1.1
412.18991	3.3
413.19095	0.5
463.24640	0.3
481.25934	100.0
482.26306	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
62.23257	0.3
64.26549	0.4
69.78697	2.9
75.76193	0.4
79.01914	0.5
86.41189	0.3
98.20602	0.6
101.20943	0.3
101.44123	0.4
102.05067	0.4
119.05051	1.3
120.17487	0.4
121.03031	0.6
123.04545	0.8
134.11859	0.5
145.02962	8.9
145.06607	0.6
147.04520	0.5
149.02432	0.9
150.03214	1.2
157.06636	1.3
163.00345	0.5
177.01944	5.6
178.02676	1.0
179.03407	0.4
180.04288	0.4
191.03499	2.3
211.07666	1.2
213.05745	0.5
214.06580	0.5
219.06677	0.4
225.09215	0.9
227.07172	4.2
228.07695	0.6
241.05034	3.3
241.08714	0.7
242.05801	5.2
243.06583	1.7
243.13953	0.5
255.06622	50.1
256.07214	8.4
269.08176	17.3
269.15466	1.0
270.08466	1.5
275.09186	0.8
297.11414	1.2
334.14127	0.6
335.12701	2.4
336.13208	0.6
339.07086	0.4
341.13724	0.5
342.14771	1.1
353.13922	13.4
354.14462	1.7
355.15454	7.6
356.15970	1.2
369.17099	1.3
411.18140	2.4
412.18887	5.4
413.19339	1.2
437.26801	1.2
481.25931	100.0
482.26257	19.9
498.28723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24107	0.6
63.50484	0.6
69.73441	4.5
71.58782	0.7
78.95908	41.3
88.70802	0.7
96.97016	3.0
145.02977	2.0
146.03268	1.4
147.03471	0.7
152.99606	60.0
153.99974	1.3
171.00667	18.4
219.81766	0.6
227.03275	4.6
245.04309	100.0
246.04662	3.7
253.21721	62.0
254.22108	7.1
255.06630	2.8
300.12878	0.7
361.10519	0.7
481.25726	55.5
482.26083	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	481.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53270	0.5
57.03438	1.0
65.00328	0.8
69.94367	3.2
78.95909	5.8
96.96978	0.5
112.04755	0.5
116.05595	0.5
119.05050	1.2
121.02973	1.1
129.02463	0.5
133.53719	0.6
136.98790	0.8
145.02991	7.8
145.06644	1.0
149.02399	1.0
150.03253	0.7
152.99612	9.2
157.06593	1.2
166.69829	0.5
171.00641	2.4
177.01967	7.6
178.02614	0.7
183.08093	0.6
191.03542	1.5
205.97586	0.5
211.07603	1.2
214.06378	1.5
217.28702	0.6
219.06624	1.1
227.03473	0.7
227.07178	5.4
228.07712	1.0
241.05063	2.2
242.05879	7.6
243.06496	1.1
245.01720	0.7
245.04282	15.2
253.21736	9.5
254.22017	0.9
255.06627	65.5
256.07074	9.3
267.06683	0.9
269.08093	3.7
269.15506	1.7
275.09204	1.0
321.18600	1.7
353.13922	8.9
354.14429	1.7
355.15387	0.7
395.19040	0.7
411.18109	1.5
412.18719	3.1
413.19046	0.7
437.27063	2.0
481.25912	100.0
482.26224	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	481.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86565	0.3
50.93989	0.2
55.01873	0.4
55.16679	0.3
57.03453	0.5
58.33728	0.3
59.01384	1.5
61.98827	2.3
69.37373	0.3
71.01389	6.8
71.72086	0.5
73.02952	2.5
83.01372	0.6
83.05025	0.7
85.02957	3.5
85.39635	0.3
88.98843	0.3
89.02457	0.6
89.55486	0.3
93.03458	0.4
95.01394	0.5
99.00904	0.9
99.04568	0.4
101.02464	3.9
107.05041	3.6
108.02205	0.4
109.02962	1.1
113.02439	3.0
117.07129	0.7
122.03758	3.1
123.04552	1.2
123.09169	0.3
124.01681	0.4
125.02464	1.1
125.06103	0.4
129.07147	0.3
131.08688	1.8
135.04546	76.7
136.05392	9.2
137.02524	0.4
137.06085	1.0
139.04030	0.5
143.03494	0.5
145.03011	0.5
146.03796	0.5
147.04535	1.3
147.08160	0.4
148.05295	1.6
149.06145	2.3
151.04070	0.4
154.02704	0.6
157.06619	1.0
159.02997	0.9
159.04532	0.8
160.05293	2.7
161.04582	5.4
161.06107	3.3
162.06892	1.4
163.07678	0.8
164.04797	4.0
172.05379	0.8
173.04578	0.4
173.06122	0.7
175.07658	7.3
176.08450	37.9
177.09225	64.7
178.09567	4.4
187.04169	0.3
187.07661	1.2
188.08423	4.3
189.05626	0.4
189.08942	0.8
190.06343	0.9
191.05821	1.8
191.07108	2.2
191.10776	0.6
198.06834	0.4
201.05624	0.4
202.10092	0.4
203.10747	0.3
204.07927	2.5
205.08664	3.4
206.09476	1.7
213.09258	1.4
214.09773	0.3
217.79543	0.3
219.10327	1.9
220.07280	0.4
231.10304	2.3
241.12416	0.3
242.13069	0.9
255.13997	0.5
256.14709	3.8
257.15466	13.9
258.15762	1.7
263.12894	0.4
274.15744	55.8
275.16501	100.0
276.16873	11.0
284.08978	3.2
289.14227	1.5
317.17728	1.7
339.14539	3.7
340.14783	0.4
419.20795	0.7
437.21826	5.0
438.21985	0.6
481.20871	13.1
482.21283	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19041	0.3
56.99611	0.3
56.99842	0.4
57.03439	0.6
59.01369	1.1
61.51354	0.3
64.15939	0.3
69.79119	0.7
69.79545	1.1
71.01373	0.9
72.99312	17.2
75.00877	19.3
76.01241	0.4
76.76859	0.3
80.35983	0.3
80.42700	0.2
80.51748	0.2
83.20546	0.3
85.02946	0.5
87.00848	0.3
87.04476	0.5
89.02438	0.5
101.02470	0.3
109.02958	0.2
111.19018	0.3
118.91069	0.3
119.81586	0.2
123.16635	0.2
127.85240	0.3
153.69818	0.3
173.04614	0.3
174.03238	0.4
174.45280	0.3
187.03999	0.6
191.05524	0.4
225.11209	0.7
239.12950	0.3
243.12361	62.3
244.12726	5.2
245.08157	0.4
246.41888	0.3
250.60449	0.3
257.13925	10.2
258.14124	1.3
269.29590	0.3
273.13324	1.3
273.23441	0.3
277.56036	0.3
301.12933	4.2
302.13242	0.4
319.13983	100.0
320.14340	9.9
361.14960	1.9
391.16037	0.4
421.17166	2.5
450.92862	0.3
481.19275	13.6
482.19690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77006	0.4
57.03452	1.1
59.01381	10.0
61.98830	14.5
68.58961	0.4
71.01386	7.5
71.72722	0.7
73.02958	2.3
77.01115	0.4
81.03500	0.4
81.19171	0.4
83.01404	1.5
85.02955	5.2
87.00880	0.7
89.02464	0.8
95.01414	1.0
95.05028	0.5
97.02999	0.5
97.06667	0.6
99.00890	1.0
99.04494	0.6
101.02463	4.8
107.05058	2.3
108.02178	1.0
109.02983	2.6
111.00893	0.5
111.04537	0.8
112.41287	0.4
113.02469	2.9
113.06126	1.3
122.03759	46.9
123.00882	0.8
123.04594	6.9
124.01669	3.8
125.02508	2.4
125.06088	0.5
125.69728	0.4
127.04036	0.8
135.04544	22.9
135.08211	0.8
136.05321	100.0
137.02501	2.2
137.06119	44.5
137.09665	2.4
138.06464	1.8
139.00439	1.2
139.04016	3.3
141.05644	0.6
146.03812	0.6
149.02498	0.6
149.06110	0.8
150.06851	0.6
151.04028	9.2
151.07651	0.9
153.01952	0.8
159.03027	0.8
161.04568	5.9
161.05916	0.9
163.00201	0.5
163.04021	0.7
164.04791	2.2
164.34723	0.4
165.01920	1.8
165.05592	9.0
167.03566	0.5
174.97305	0.5
176.04814	1.0
179.03554	1.0
179.07182	6.2
187.07671	0.5
188.08458	1.0
191.05678	1.1
191.07193	1.1
201.05632	0.4
201.11415	0.5
206.05855	1.7
207.06583	2.3
209.11838	1.5
210.12425	0.5
221.08206	0.9
249.09378	0.8
256.14688	2.9
256.16904	0.5
257.12964	0.8
257.15454	8.6
274.15732	12.0
275.16522	62.7
276.16864	7.3
277.07236	3.2
289.07108	0.7
299.11395	1.9
369.11740	0.6
384.14328	3.0
419.20538	1.6
437.21820	11.2
438.22131	2.2
481.20724	21.7
482.21054	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.01374	3.8
60.99306	5.4
61.98827	7.7
63.76344	0.2
65.03957	0.6
66.59127	0.3
67.01894	14.1
68.49167	0.3
69.03457	4.4
69.77732	0.6
69.78146	1.5
71.01383	4.9
71.05037	0.7
72.99332	0.5
73.02947	0.6
81.03471	3.1
83.01370	0.3
83.05035	2.1
85.02966	1.7
85.06579	0.3
87.00478	0.3
87.00883	21.2
93.03469	100.0
94.03800	3.4
95.01417	0.4
97.02969	0.4
97.06605	0.7
98.19926	0.6
99.00880	1.8
99.04522	2.2
101.02438	0.7
108.02207	0.6
109.02966	1.4
110.00137	0.5
111.00920	0.7
111.04533	14.1
112.04846	0.3
113.02467	1.7
115.04037	0.8
121.02946	0.5
123.00943	1.6
124.01733	0.6
125.02463	1.7
129.01958	2.5
133.02988	2.0
134.03754	8.7
135.04561	3.0
136.01682	0.5
137.02457	3.0
139.04045	0.7
143.03520	1.0
150.03229	0.4
150.06894	0.4
151.00412	0.9
151.04010	0.6
152.01198	1.7
153.01953	0.4
155.03543	2.7
161.02538	0.5
162.03294	0.7
163.04001	0.7
164.01215	0.5
165.01973	0.3
173.04565	51.9
174.04922	2.3
174.97278	0.5
177.01961	2.3
177.05585	0.4
178.02734	8.3
178.06342	0.7
179.03421	1.7
179.07146	5.5
180.07497	0.3
191.05615	1.5
191.07143	0.3
205.05064	1.0
206.05847	9.0
206.07672	0.5
207.06628	17.9
208.07278	2.6
221.08192	5.0
222.08907	2.6
223.09743	0.9
231.10178	0.3
271.02423	0.3
272.03070	0.3
275.09238	1.0
293.84161	0.3
307.11884	0.3
308.09042	0.7
351.07220	0.9
352.08075	1.2
353.95200	0.3
369.11990	2.9
370.12524	0.5
384.14267	15.3
385.14551	1.8
449.14526	48.9
450.14835	7.1
481.17117	26.3
482.17435	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	481.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99815	0.5
57.03439	1.3
58.00579	0.8
59.01382	8.6
61.98832	1.4
63.86346	0.5
68.85950	0.5
69.03456	1.0
71.01386	5.7
71.05013	1.0
71.48164	0.7
71.48499	0.8
72.99316	25.8
73.02945	1.0
74.43800	0.5
75.00880	52.8
77.03959	0.7
83.01347	0.6
85.02934	1.5
87.00864	0.7
87.04534	0.9
89.02457	3.4
93.03457	0.8
95.05018	1.0
96.28311	0.5
97.02959	2.3
101.00691	0.4
101.02460	2.7
102.70673	0.5
105.80379	0.5
108.02229	0.5
109.02969	8.4
110.05818	0.5
113.02430	2.1
117.01954	0.6
119.03491	0.9
121.02980	2.6
122.93500	0.5
125.02447	0.6
128.78116	0.5
137.02449	4.9
139.04025	8.6
139.07770	0.6
153.01955	16.2
154.02335	0.8
165.01955	25.1
166.02240	0.9
179.05577	0.6
183.02998	6.4
191.05614	1.7
225.11290	1.6
237.06134	0.9
243.12369	82.3
244.12704	6.7
257.13907	19.9
258.14203	1.6
261.03983	2.0
273.13385	2.6
275.05612	1.9
285.07620	0.6
301.03586	1.3
301.12949	12.2
302.13098	1.0
315.07260	1.7
319.04337	1.8
319.13989	100.0
320.14297	8.7
330.67691	0.5
348.36615	0.6
361.14990	9.3
362.15384	1.0
387.31506	0.5
391.16092	1.4
421.16968	7.5
422.17447	1.2
437.11209	0.6
443.25217	0.7
463.18259	0.5
481.08835	3.8
481.19305	50.8
482.10428	0.9
482.19547	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23787	0.4
52.85220	0.3
57.03445	3.3
59.01378	10.5
60.99309	6.3
61.98831	26.8
62.98524	0.5
65.03960	0.9
67.01893	15.1
69.03453	4.4
70.29436	1.9
71.01384	6.8
71.05021	0.6
73.02943	0.7
75.00916	0.4
81.03474	2.6
83.01392	0.8
83.05028	2.3
85.02965	1.6
87.00883	21.7
87.04532	0.5
88.01186	0.5
89.02434	0.9
93.03468	100.0
94.03799	2.9
97.02982	0.5
97.06597	0.5
98.19971	0.5
99.00900	2.2
99.04510	2.7
101.02469	1.6
105.01936	3.0
109.02964	1.9
111.00900	1.0
111.04531	13.7
112.04918	0.5
113.02441	2.5
115.04028	0.9
118.44955	0.3
121.02982	0.6
122.03785	0.9
123.04555	0.7
124.01690	3.8
125.02460	3.6
127.04018	0.4
129.01985	2.7
133.02997	2.4
133.03874	0.4
134.03761	7.4
135.04549	7.0
136.05347	2.2
137.02484	3.3
137.06120	0.8
139.00392	1.1
139.04010	3.0
143.03514	0.9
143.10835	0.6
149.02463	0.5
150.03281	0.5
151.00401	0.9
151.04008	1.4
153.01936	1.4
155.03551	3.6
161.02490	1.0
161.04581	0.7
162.03186	0.8
165.01962	0.5
165.05637	0.7
167.03569	0.5
173.04564	54.7
174.04971	1.9
174.97235	0.7
177.01958	1.8
178.02730	8.5
178.99966	0.9
179.03476	3.7
189.01907	0.4
191.05652	3.7
196.85780	0.4
200.01175	1.4
228.00620	2.1
229.01375	0.6
233.08147	1.1
243.02896	1.6
257.00931	1.7
257.04288	0.3
257.08249	0.6
258.01532	0.4
259.05014	0.9
259.13803	0.5
259.19080	0.5
262.04602	0.5
271.02457	9.1
272.03168	3.3
275.09296	1.5
275.16556	1.2
277.07224	2.5
289.07135	1.1
301.03516	0.8
308.08978	0.9
319.15552	1.1
351.07190	1.5
352.08084	2.7
392.64175	0.5
437.14279	0.5
449.14520	61.1
450.14865	10.5
481.17181	16.3
481.23685	0.6
482.17377	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71332	0.3
54.99548	0.2
57.03444	0.8
59.01375	2.1
61.98835	7.6
69.47461	0.2
69.48402	2.1
70.86009	0.2
71.01388	1.3
73.02959	0.4
74.34103	0.2
75.00883	0.3
81.03463	0.3
83.05058	1.3
85.02956	1.9
87.00895	0.9
88.98804	0.3
91.04878	0.2
93.03471	4.2
97.02937	0.2
97.06599	5.7
98.19874	0.5
98.60464	0.2
99.00922	0.3
101.02473	0.8
105.03471	0.7
106.04276	0.4
109.02982	0.6
111.04539	4.0
113.02454	0.4
118.15894	0.2
123.04541	0.4
123.08187	2.0
125.02465	2.3
127.04075	0.5
129.01981	0.3
131.03539	0.4
133.02977	4.3
134.03763	100.0
135.04631	7.6
136.04872	0.6
137.02449	2.4
139.04016	0.7
151.04013	1.1
155.03532	4.1
156.03880	0.4
159.04507	0.4
161.02454	0.7
161.04570	0.3
162.03064	0.3
165.01872	0.3
173.03087	0.4
173.04585	7.1
177.01962	5.3
178.02740	18.3
179.03387	2.2
187.04042	0.4
187.07693	0.8
191.05632	15.9
192.06029	0.8
202.06471	0.6
203.10757	0.5
205.12354	0.6
213.09367	0.3
231.10242	3.7
245.04593	0.4
247.09807	0.4
263.12915	0.3
275.09259	5.1
275.16669	0.4
276.09509	0.7
288.06174	0.3
289.10770	0.7
289.16614	0.8
307.11884	92.2
308.12238	10.0
481.16306	5.0
482.17462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01381	3.6
60.99303	5.8
61.98838	6.7
67.01894	14.6
69.03455	3.8
70.95490	0.9
70.95831	1.5
71.01387	6.2
71.05029	0.7
73.02968	0.8
81.03462	3.2
83.05027	2.8
85.02962	1.1
87.00886	20.9
93.03468	100.0
94.03814	2.6
97.06599	2.6
98.20543	0.7
99.00899	2.5
99.04531	2.2
101.02449	1.2
104.99393	0.7
105.03464	1.1
106.04286	0.9
109.02971	2.2
111.00880	1.2
111.04536	17.8
112.04896	1.0
113.02469	2.0
121.02966	1.9
121.88894	0.7
122.03777	1.0
124.01690	1.3
125.02475	1.0
129.01973	2.7
133.02022	1.3
133.02975	17.3
134.03763	71.8
135.04599	10.7
136.04883	0.9
137.02455	14.0
139.04039	3.4
143.03520	0.9
149.02438	0.8
150.03221	1.0
155.03523	8.6
162.03244	1.5
173.04576	73.2
174.04968	3.4
177.01956	25.3
178.02740	87.0
179.03355	8.7
191.05701	1.8
213.09398	0.7
231.10324	6.0
273.12241	0.7
273.14755	3.6
274.15320	3.6
275.09232	31.5
275.15512	3.8
276.09644	1.9
281.03873	0.7
307.11877	37.3
308.12311	3.8
336.83252	0.7
346.12079	0.7
437.20798	0.7
449.14536	13.9
450.15030	1.4
481.17160	64.0
482.17477	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	481.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82491	0.5
53.78441	0.5
54.42572	0.5
54.86020	0.6
55.01890	1.2
59.01379	2.6
61.98836	3.7
69.03445	1.1
69.55151	0.5
71.01397	1.6
71.05022	9.3
71.05395	0.7
72.99316	0.6
73.02940	0.5
73.70638	0.5
74.05846	0.6
75.00871	1.3
81.03470	0.6
83.01385	1.4
83.05071	0.9
83.28399	0.5
85.02974	2.2
87.00883	1.0
88.95134	0.5
89.02470	1.4
93.03462	4.6
95.05038	18.8
96.05374	0.5
96.96033	1.4
97.02963	28.3
99.00922	0.6
101.02472	1.1
108.02184	0.8
109.02968	44.6
110.03329	1.7
111.04523	1.8
113.02470	0.8
115.04031	4.8
119.05044	10.3
121.03020	2.9
123.00944	0.7
125.02531	0.8
135.04474	0.6
137.02470	12.6
139.04031	69.0
140.04404	2.8
141.09265	1.4
145.03001	0.9
148.46010	0.6
153.01958	100.0
153.10440	0.6
154.02293	4.2
155.03522	2.3
162.05972	0.5
163.04033	9.4
165.01955	53.9
166.02315	2.6
170.72476	0.5
173.04558	1.8
173.06038	0.8
174.03278	0.6
180.54944	0.5
183.03006	79.5
184.03317	4.4
187.03941	0.8
187.07645	1.9
189.05609	0.7
191.05635	10.9
201.11345	2.0
207.88943	0.6
209.11833	4.6
216.08092	0.5
227.12869	1.2
231.10246	1.1
243.12575	0.9
253.09322	1.0
259.11862	1.3
271.06165	1.2
275.05634	1.9
275.09290	1.9
301.03540	5.4
315.07217	60.9
316.07626	4.6
319.04626	4.8
319.08301	7.3
319.13922	1.5
319.17871	0.7
339.07272	0.8
481.09369	11.6
481.19034	1.3
497.45593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34433	0.2
57.03450	0.5
59.01374	3.0
61.44522	0.2
61.98832	7.4
62.50843	0.3
67.01900	0.4
68.25492	0.3
69.57388	0.9
69.57822	1.5
71.01380	1.4
73.02970	0.3
73.23717	0.2
74.39158	0.3
75.00860	0.3
83.01402	0.4
85.02967	0.7
87.00895	0.7
89.02483	0.5
93.03474	2.0
95.01383	1.2
97.02934	0.2
101.02449	0.9
108.02184	4.5
109.02979	0.7
110.00121	2.1
111.00886	5.1
111.04552	0.5
113.02491	0.4
122.03809	0.3
123.00903	8.9
123.04536	6.0
123.05364	0.5
124.01681	100.0
125.02434	3.9
133.02945	0.4
134.03738	0.3
135.04546	2.4
137.02448	0.5
137.99582	0.6
138.03241	1.1
139.00403	34.6
139.04030	91.2
140.00726	1.1
140.04353	3.8
141.58397	0.3
149.04640	0.3
151.04021	0.9
152.69063	0.3
153.01956	12.7
154.02722	1.5
161.02441	0.6
161.04724	0.3
162.02718	0.3
164.01169	0.3
165.01927	0.3
173.04572	0.9
174.03368	0.3
175.07617	0.6
177.01952	0.6
178.02756	0.3
179.03563	0.4
189.01788	0.3
191.05629	5.6
217.12291	0.6
233.96593	0.3
261.03976	0.5
262.04800	11.3
263.05090	0.7
274.15765	3.9
275.16455	3.2
276.06384	0.5
277.07162	97.7
278.07516	9.8
287.05579	0.4
289.07135	0.6
307.11945	0.3
319.08163	0.5
421.11472	0.5
421.20670	0.8
437.21725	0.5
449.14453	0.6
481.12885	5.5
482.13782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2648
Annotation	Scutalpin O
Peak:m/z	Relative Intensity
55.01881	0.7
57.03447	3.6
59.01377	1.7
61.98832	2.7
68.99821	0.7
69.03465	0.9
70.08872	0.7
70.85185	2.2
71.01391	1.3
71.05040	3.2
72.99314	0.6
79.01917	1.7
81.03470	2.0
83.01411	1.5
83.05048	2.1
85.02962	0.9
85.06606	2.0
87.04523	20.7
95.05046	2.0
97.02956	0.8
97.06624	1.2
99.04560	1.0
100.16470	0.7
101.06108	2.7
107.05102	0.9
109.02991	2.1
109.06607	1.3
111.04544	7.9
111.08121	0.7
113.02502	1.2
113.06119	1.1
115.05597	0.6
119.05044	2.0
121.03012	3.0
121.06620	1.1
123.04599	1.0
123.08189	1.4
124.01683	1.1
125.02497	2.0
125.06116	1.2
128.70103	0.6
132.15030	0.7
133.06616	0.8
135.04671	0.9
137.02487	1.6
137.09760	1.5
139.04077	1.6
139.07668	1.6
139.11340	1.0
141.05611	1.0
145.02965	15.5
145.04970	0.7
146.03342	1.7
147.04567	1.1
149.02402	0.8
150.03250	1.6
151.00386	5.2
151.04041	1.6
151.07689	2.3
153.01997	0.9
157.06696	1.0
157.08710	0.8
163.04045	0.7
165.05682	0.9
167.03555	1.5
167.07210	0.9
168.04227	1.3
168.05879	2.4
177.09348	1.0
179.07172	1.4
179.10849	1.3
181.05103	1.6
181.08789	1.0
183.06659	2.1
185.06084	0.8
191.07172	0.7
191.10852	0.9
192.07991	1.7
193.08640	1.5
193.12448	1.4
195.06567	1.6
197.08197	1.2
197.11893	3.0
200.04872	1.5
201.05606	2.8
212.04767	1.6
213.05592	3.0
221.08223	2.6
225.09290	0.9
228.04337	1.2
229.05067	23.8
230.05608	2.4
231.17442	0.7
232.03792	1.9
233.08279	0.8
235.09715	0.7
247.13342	1.6
253.05067	1.9
255.06621	0.8
255.13947	2.3
256.07416	1.3
261.15253	0.8
269.08121	1.4
277.14511	1.1
281.11722	3.3
288.13657	1.3
289.14340	1.3
289.21704	1.1
299.12897	16.3
300.13245	1.2
303.04239	1.3
303.16354	0.9
305.13910	1.0
315.19843	0.9
317.17691	3.1
318.17874	0.8
327.19760	0.8
331.19373	2.0
333.20691	2.2
335.18616	2.2
340.14328	2.2
345.20834	1.1
357.20770	1.6
359.18643	3.6
377.19736	0.9
382.17868	0.9
391.21246	6.3
392.21631	1.1
395.15579	1.5
395.20950	2.7
403.19519	1.3
410.17303	4.9
429.22742	1.6
443.24213	1.0
447.23831	8.2
448.23938	0.9
461.24414	1.4
479.25821	100.0
480.26108	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	479.2656
Annotation	Scutalpin O
Peak:m/z	Relative Intensity
50.09348	0.7
51.21660	0.7
57.03448	3.4
59.01377	6.5
59.48333	0.7
61.98838	12.3
69.03474	0.8
69.82498	2.0
69.82925	3.0
71.01385	2.2
71.05014	1.4
73.02925	0.9
77.79326	0.6
78.95911	0.9
81.03471	1.1
83.01427	0.9
83.05009	1.7
83.66386	0.7
85.02930	1.3
85.06591	0.9
87.00881	1.2
87.04524	74.4
88.04871	2.5
93.03487	1.2
95.05034	1.2
96.71571	0.7
97.02934	1.4
97.06558	0.9
99.04537	0.9
101.06080	0.9
109.03008	1.8
109.06603	1.2
111.04537	7.9
111.08267	1.0
113.02450	0.9
121.02975	1.2
121.06622	0.9
123.01015	0.8
123.04511	1.7
123.08141	1.0
125.02464	2.1
125.06135	1.1
125.09734	1.0
137.02498	1.2
137.06140	0.9
139.04102	1.3
145.02957	1.2
147.04561	1.5
150.06839	0.8
151.00427	1.6
151.04063	1.0
153.00822	0.8
163.04033	3.4
165.05589	1.1
171.10295	1.3
175.04068	0.9
177.05525	1.1
178.99976	1.1
179.07204	0.7
181.08783	1.1
189.05583	14.7
190.06248	1.6
193.12379	1.5
195.06668	3.1
197.08305	1.8
197.11815	0.9
198.37250	0.7
201.11380	2.2
205.08792	0.7
207.10159	1.3
209.11848	1.4
211.43884	1.0
213.15070	1.2
218.05811	1.0
220.78218	0.7
225.11356	1.9
231.10353	1.3
232.03856	0.9
233.08156	1.1
233.11905	1.1
247.13599	0.8
248.10536	24.2
249.10983	2.0
258.01456	0.8
265.14432	2.3
291.15619	0.8
301.03653	1.8
302.04034	2.3
303.04184	3.1
303.16019	1.0
315.16156	1.2
317.10345	3.1
317.13794	1.0
319.15826	0.9
319.19235	1.5
323.15112	3.0
331.19247	2.0
349.20291	1.7
373.20178	30.9
374.20694	4.4
377.19839	1.5
391.21222	16.8
392.21927	1.9
409.22208	1.1
440.06784	0.8
461.19791	0.9
461.25653	1.2
479.08633	2.0
479.26605	100.0
480.27136	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.265
Annotation	Scutalpin O
Peak:m/z	Relative Intensity
57.03449	4.1
59.01374	2.9
61.98827	0.8
69.03464	0.8
71.01381	1.1
71.05039	1.4
71.13158	1.3
71.13498	1.0
73.02948	1.1
79.01914	0.8
83.05028	1.9
85.02966	0.9
85.06599	5.0
87.04536	4.7
95.05032	1.2
97.06639	3.3
99.08158	0.7
101.06093	2.1
109.02990	1.9
109.06587	1.0
111.04543	12.1
111.08187	1.6
112.04929	1.2
119.05048	2.6
123.04506	0.8
123.08164	1.9
125.06065	3.4
125.09707	1.2
135.08131	1.3
137.02420	1.6
137.06096	2.0
137.09740	7.6
139.04025	1.1
139.07672	3.6
141.09219	1.0
145.02962	13.0
149.09773	1.2
151.00366	2.8
151.04033	1.5
151.11430	1.0
157.06572	1.5
157.08661	0.9
163.07693	0.9
177.01918	1.1
179.07263	0.7
179.10771	1.0
183.06711	3.7
184.37430	0.7
191.10818	2.1
192.07921	0.7
193.08685	3.5
193.12332	1.0
195.06618	1.5
197.11833	3.1
199.46980	0.8
200.04752	1.7
201.05536	1.0
203.10745	1.4
205.12337	0.9
207.10210	0.7
208.07469	0.7
209.08157	2.2
209.11836	1.0
211.13496	1.1
213.05664	1.8
214.16676	0.8
219.13925	3.0
221.08186	9.8
222.08817	2.8
225.09230	0.9
226.06477	1.5
227.07104	1.1
229.05029	10.0
230.05566	1.2
232.03900	1.6
233.08192	0.8
235.09749	2.5
241.08629	1.1
249.11279	1.3
253.05202	0.8
255.06618	3.6
256.07416	1.9
259.16922	1.1
261.14917	1.3
265.14291	1.3
269.08258	1.4
275.16791	0.9
279.19708	2.1
283.02499	4.6
297.07471	1.0
299.12784	4.3
305.13852	1.3
305.17395	0.8
315.19406	0.9
317.14017	0.9
321.04102	2.7
323.18613	0.9
331.19174	3.4
333.17026	2.9
333.20746	1.5
339.18127	7.0
349.20264	1.3
351.08691	15.9
351.12228	1.0
352.09079	1.9
353.14011	2.2
359.18509	0.9
361.16391	1.5
361.20227	1.8
361.23975	1.0
365.19809	0.9
377.19742	2.3
378.20111	1.8
379.21204	3.3
380.21555	0.9
391.21317	2.3
393.16983	1.5
395.15030	1.6
403.25131	1.7
410.17410	4.7
447.23859	40.6
448.24225	6.2
461.25449	11.1
462.25851	1.8
479.25940	100.0
480.26529	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	479.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.4
56.55636	0.3
57.03453	1.7
57.20607	0.2
59.01382	1.2
68.99826	0.2
69.03474	0.4
69.65810	2.1
71.05035	0.3
72.27763	0.2
79.01910	0.7
82.87613	0.2
85.06658	0.3
87.04534	0.3
97.02948	0.4
97.06644	0.3
98.20692	0.5
99.00984	0.3
99.04546	0.3
99.08186	0.6
101.03992	1.3
101.06110	0.4
109.02992	0.8
109.06587	0.4
111.04573	0.5
111.08202	0.4
117.03462	0.4
119.05116	0.3
121.02237	0.3
121.02968	1.5
121.06640	0.3
123.00905	0.3
123.04581	0.3
125.06137	1.2
125.09669	0.2
129.68587	0.3
133.06613	0.3
135.08252	0.3
137.09732	0.4
141.33130	0.2
145.02975	62.7
146.03310	3.8
147.04549	0.8
149.02504	0.4
150.03197	0.6
151.00383	1.1
151.11302	2.2
153.09334	0.3
157.06636	2.5
161.09744	0.3
171.04501	0.7
172.05322	0.8
173.02449	0.8
173.06120	0.4
178.02650	0.3
179.07053	0.5
183.04561	1.2
184.05054	0.3
191.03354	0.3
191.07176	0.3
191.10834	0.5
199.03966	1.7
199.07701	0.3
200.04796	5.3
201.05594	3.8
202.05984	0.4
204.04242	0.4
205.08707	0.4
206.09427	0.5
209.08138	0.4
211.07634	0.5
213.05473	0.3
219.17561	1.1
221.08211	0.3
221.15498	0.8
225.05670	0.6
225.09236	0.7
226.06381	0.9
227.07153	1.4
228.04305	2.9
228.07751	0.3
229.05028	1.8
232.03792	4.4
241.08704	1.0
242.05496	0.3
243.06424	0.3
247.13318	0.3
248.10445	0.3
249.11340	0.5
254.05852	0.4
255.06633	4.7
256.07346	2.4
265.14468	0.4
267.06549	0.8
269.08170	1.5
275.10632	0.3
277.14664	0.4
281.08279	0.3
285.13464	0.4
286.39465	0.3
287.13037	0.3
289.21722	4.3
290.22134	0.6
295.09717	0.8
295.13251	0.2
297.07678	0.8
305.13947	1.9
306.14310	0.3
323.12787	0.3
325.14438	0.6
329.21234	0.4
331.19144	1.5
332.19943	0.3
333.13553	0.4
335.13037	0.3
339.15866	0.3
348.17398	0.3
351.12338	1.0
352.12967	0.5
353.13947	2.2
365.17551	1.3
366.18143	0.4
367.15414	1.3
368.16068	0.4
373.20184	1.5
374.20535	0.4
376.18869	0.3
377.14130	0.5
381.16922	0.8
382.17923	0.6
391.21021	0.7
392.16290	0.7
393.17087	4.8
394.17340	1.0
395.15033	4.6
396.15305	0.9
409.16583	1.1
410.17331	10.1
411.17719	2.0
428.86249	0.3
442.16147	0.8
443.16562	0.3
447.23904	2.7
448.24307	0.4
461.25418	0.6
479.24426	100.0
480.24753	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	479.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25228	0.3
51.53358	0.3
57.03370	4.1
57.03684	0.7
59.01293	2.4
64.25781	0.3
66.62157	0.3
69.03410	0.4
70.58311	1.2
71.01324	0.5
71.04960	0.7
71.66042	0.3
79.05476	0.7
79.05901	0.3
81.03422	0.6
83.01313	0.4
83.04952	0.8
85.06499	4.3
87.04417	1.8
93.57330	0.3
95.04926	0.3
97.02888	0.5
97.06602	8.0
99.04442	0.4
99.08049	1.0
101.05965	1.0
105.07024	0.3
107.05009	0.4
109.06507	1.0
111.04535	13.2
111.05255	0.6
111.08168	8.2
119.04984	0.4
121.02892	0.4
121.06487	1.3
122.03651	0.6
123.04414	1.0
123.08197	1.6
125.06107	4.2
125.09657	0.3
125.18637	0.3
126.06345	0.3
127.07573	0.6
133.06563	0.4
135.08086	0.8
136.05232	0.4
137.06059	0.6
137.09608	0.3
145.02852	0.6
149.09589	1.3
151.03935	0.4
151.07610	0.3
151.11261	0.7
153.09201	0.6
159.06532	0.4
163.11156	1.3
164.08374	0.4
165.09088	1.0
173.09760	0.3
175.07578	0.7
175.11171	0.4
177.09125	0.7
179.07117	0.7
179.10712	0.4
180.13776	0.3
191.03413	0.7
191.07030	0.4
191.10808	6.0
192.10995	0.4
193.08717	5.2
193.12376	1.9
194.09038	0.4
195.06607	0.4
197.08247	0.7
197.11667	0.8
203.14285	1.0
205.08566	1.2
205.12267	0.7
206.09349	1.3
207.10098	0.5
209.08162	2.2
211.13290	0.7
221.08173	4.8
221.15443	0.6
222.08717	0.6
229.04941	1.1
229.12207	0.6
233.08076	0.9
233.11903	0.3
235.09749	2.9
235.13118	0.4
236.10193	0.3
238.08347	0.5
247.09593	0.4
247.13351	0.6
248.10573	1.6
248.13164	0.3
259.09763	0.5
259.12979	0.3
261.14905	0.5
265.14325	1.0
267.06573	0.4
267.12238	0.9
270.94812	0.4
275.09119	0.4
279.19534	1.2
285.13425	1.9
285.18564	0.4
287.16415	0.6
291.19495	0.5
293.17474	0.8
299.12866	1.0
311.09039	0.6
313.18076	0.4
321.16766	0.4
323.18481	1.0
327.19641	0.3
329.21262	0.6
331.19174	4.2
332.19525	0.5
333.20660	0.9
335.18723	0.7
343.22659	0.4
345.20850	2.6
349.20236	0.9
353.19693	1.4
359.18518	0.4
361.16714	1.8
361.23834	3.2
362.24408	0.4
373.20154	4.5
374.20416	0.7
376.18735	0.8
379.21191	2.6
380.21637	0.4
387.21878	0.4
389.19275	0.4
391.21216	1.8
392.21671	0.3
403.20807	0.4
403.24994	3.9
404.25461	0.7
420.21567	0.4
422.36035	0.4
443.24463	1.4
447.23874	73.8
448.24222	12.2
461.25586	2.2
462.25864	0.6
479.26483	100.0
480.26804	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61874	0.6
57.03447	6.1
59.01371	0.9
60.22103	0.5
69.03463	0.8
70.74625	2.1
71.05026	13.0
71.75671	0.5
79.01909	1.9
79.05511	0.7
80.26190	0.5
83.04991	0.6
85.02959	4.0
85.06608	3.6
85.40052	0.6
87.04525	3.0
93.15385	0.6
95.01404	0.7
95.05042	2.0
101.03972	1.0
101.36211	0.6
107.05016	0.8
109.02974	1.5
109.06627	1.6
109.70609	0.6
111.04540	14.0
111.08165	1.9
113.06108	1.0
113.71491	0.6
115.69055	0.5
119.05061	4.7
121.02982	3.0
123.00939	0.7
123.08180	0.9
124.01697	3.0
124.05306	0.7
125.02437	1.8
125.06052	0.8
129.05708	0.6
133.06668	1.0
137.06113	1.4
137.09740	4.2
139.04012	1.1
139.07631	2.3
139.11311	6.6
145.02963	9.8
147.04509	1.9
149.02435	0.8
149.09706	1.4
151.00388	3.1
151.04036	2.3
153.09177	0.9
155.07166	3.5
155.08282	0.6
158.03790	1.0
161.09712	1.0
163.07649	1.7
165.05545	0.9
165.09250	1.4
166.06377	1.2
168.05812	2.6
169.06483	0.7
175.04051	1.0
179.10738	1.7
180.04178	0.7
181.05081	5.5
183.06592	1.0
185.06096	1.2
187.07603	1.2
193.05034	0.8
194.05931	4.9
195.08258	0.7
197.11800	3.9
198.05348	2.3
198.12169	0.7
201.05563	2.6
203.10777	2.6
209.06108	14.6
209.08003	0.7
210.06615	2.2
211.07646	3.1
212.04778	2.7
213.05608	5.2
214.06192	1.4
215.10719	2.1
219.17520	1.2
221.08278	2.8
222.08765	1.8
223.13316	0.9
225.05525	1.2
226.06355	3.5
229.05069	33.7
230.05537	4.3
231.92377	0.7
233.11897	1.9
235.09772	4.9
236.10097	6.6
237.10406	4.1
251.12830	1.0
253.05020	5.2
254.05708	1.5
255.13841	3.1
257.12012	0.8
267.06760	0.8
273.14893	2.2
281.11472	4.4
281.14401	1.1
282.12143	0.9
289.18405	1.3
289.21664	6.9
295.13474	1.1
299.12888	32.0
300.13196	3.4
307.19070	1.3
323.12753	4.6
325.10770	1.6
331.19089	2.5
333.17053	2.0
333.20700	17.3
334.21027	2.3
335.17642	1.1
349.20187	9.3
350.20496	1.0
351.18137	100.0
352.18500	14.7
355.15601	0.8
357.20563	1.4
365.19647	1.8
393.14175	1.0
393.19193	12.1
394.19897	3.8
435.27225	2.3
443.24219	1.1
461.23834	1.3
479.24615	20.3
479.29688	8.4
480.24338	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	479.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28868	0.7
57.01244	0.9
57.03452	1.7
65.57603	0.6
69.48061	5.1
69.48491	2.1
70.51461	0.6
71.05025	1.3
75.32886	0.7
79.01906	0.9
83.05071	0.9
85.06609	2.0
87.04532	3.9
101.06103	1.1
101.69261	0.7
107.05050	1.2
111.04536	14.2
123.04554	2.4
123.08093	1.8
125.06097	1.5
139.04041	1.7
141.09271	1.0
145.02963	3.9
145.85352	0.8
146.93179	0.6
151.04024	8.8
151.11389	0.7
164.04576	0.7
165.09267	1.9
167.03505	0.8
177.01947	2.3
177.09250	1.8
178.02745	1.3
179.03566	1.6
179.07008	0.7
180.04311	8.4
181.04710	0.7
191.03514	1.7
191.07147	0.8
193.08772	3.6
195.06679	4.3
203.07176	4.4
207.06647	6.7
208.07368	1.8
209.08202	8.8
211.13368	1.3
219.06688	3.7
220.07278	1.0
221.08199	100.0
222.08948	61.6
223.09285	4.2
229.05017	1.0
233.08188	3.2
235.09769	2.7
247.09894	1.6
247.13330	1.5
248.08058	0.7
255.06689	2.9
261.11176	1.5
265.11649	0.7
265.14404	4.3
269.08179	7.3
271.06088	1.0
273.11215	1.0
275.12997	1.0
289.14081	0.8
290.15375	1.6
299.12814	1.2
301.14557	1.1
319.15616	1.9
320.16376	1.0
322.14194	13.0
323.14511	1.5
340.15433	1.4
361.16537	1.6
362.17203	2.6
363.18079	1.1
375.17612	0.9
387.21661	1.7
392.18317	1.1
393.19339	3.5
410.19452	1.7
431.24380	93.1
432.24750	16.9
443.24164	1.0
461.25415	23.3
462.25940	4.6
479.26019	46.1
480.26752	9.6
489.34067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28868	0.7
57.01244	0.9
57.03452	1.7
65.57603	0.6
69.48061	5.1
69.48491	2.1
70.51461	0.6
71.05025	1.3
75.32886	0.7
79.01906	0.9
83.05071	0.9
85.06609	2.0
87.04532	3.9
101.06103	1.1
101.69261	0.7
107.05050	1.2
111.04536	14.2
123.04554	2.4
123.08093	1.8
125.06097	1.5
139.04041	1.7
141.09271	1.0
145.02963	3.9
145.85352	0.8
146.93179	0.6
151.04024	8.8
151.11389	0.7
164.04576	0.7
165.09267	1.9
167.03505	0.8
177.01947	2.3
177.09250	1.8
178.02745	1.3
179.03566	1.6
179.07008	0.7
180.04311	8.4
181.04710	0.7
191.03514	1.7
191.07147	0.8
193.08772	3.6
195.06679	4.3
203.07176	4.4
207.06647	6.7
208.07368	1.8
209.08202	8.8
211.13368	1.3
219.06688	3.7
220.07278	1.0
221.08199	100.0
222.08948	61.6
223.09285	4.2
229.05017	1.0
233.08188	3.2
235.09769	2.7
247.09894	1.6
247.13330	1.5
248.08058	0.7
255.06689	2.9
261.11176	1.5
265.11649	0.7
265.14404	4.3
269.08179	7.3
271.06088	1.0
273.11215	1.0
275.12997	1.0
289.14081	0.8
290.15375	1.6
299.12814	1.2
301.14557	1.1
319.15616	1.9
320.16376	1.0
322.14194	13.0
323.14511	1.5
340.15433	1.4
361.16537	1.6
362.17203	2.6
363.18079	1.1
375.17612	0.9
387.21661	1.7
392.18317	1.1
393.19339	3.5
410.19452	1.7
431.24380	93.1
432.24750	16.9
443.24164	1.0
461.25415	23.3
462.25940	4.6
479.26019	46.1
480.26752	9.6
489.34067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61874	0.6
57.03447	6.1
59.01371	0.9
60.22103	0.5
69.03463	0.8
70.74625	2.1
71.05026	13.0
71.75671	0.5
79.01909	1.9
79.05511	0.7
80.26190	0.5
83.04991	0.6
85.02959	4.0
85.06608	3.6
85.40052	0.6
87.04525	3.0
93.15385	0.6
95.01404	0.7
95.05042	2.0
101.03972	1.0
101.36211	0.6
107.05016	0.8
109.02974	1.5
109.06627	1.6
109.70609	0.6
111.04540	14.0
111.08165	1.9
113.06108	1.0
113.71491	0.6
115.69055	0.5
119.05061	4.7
121.02982	3.0
123.00939	0.7
123.08180	0.9
124.01697	3.0
124.05306	0.7
125.02437	1.8
125.06052	0.8
129.05708	0.6
133.06668	1.0
137.06113	1.4
137.09740	4.2
139.04012	1.1
139.07631	2.3
139.11311	6.6
145.02963	9.8
147.04509	1.9
149.02435	0.8
149.09706	1.4
151.00388	3.1
151.04036	2.3
153.09177	0.9
155.07166	3.5
155.08282	0.6
158.03790	1.0
161.09712	1.0
163.07649	1.7
165.05545	0.9
165.09250	1.4
166.06377	1.2
168.05812	2.6
169.06483	0.7
175.04051	1.0
179.10738	1.7
180.04178	0.7
181.05081	5.5
183.06592	1.0
185.06096	1.2
187.07603	1.2
193.05034	0.8
194.05931	4.9
195.08258	0.7
197.11800	3.9
198.05348	2.3
198.12169	0.7
201.05563	2.6
203.10777	2.6
209.06108	14.6
209.08003	0.7
210.06615	2.2
211.07646	3.1
212.04778	2.7
213.05608	5.2
214.06192	1.4
215.10719	2.1
219.17520	1.2
221.08278	2.8
222.08765	1.8
223.13316	0.9
225.05525	1.2
226.06355	3.5
229.05069	33.7
230.05537	4.3
231.92377	0.7
233.11897	1.9
235.09772	4.9
236.10097	6.6
237.10406	4.1
251.12830	1.0
253.05020	5.2
254.05708	1.5
255.13841	3.1
257.12012	0.8
267.06760	0.8
273.14893	2.2
281.11472	4.4
281.14401	1.1
282.12143	0.9
289.18405	1.3
289.21664	6.9
295.13474	1.1
299.12888	32.0
300.13196	3.4
307.19070	1.3
323.12753	4.6
325.10770	1.6
331.19089	2.5
333.17053	2.0
333.20700	17.3
334.21027	2.3
335.17642	1.1
349.20187	9.3
350.20496	1.0
351.18137	100.0
352.18500	14.7
355.15601	0.8
357.20563	1.4
365.19647	1.8
393.14175	1.0
393.19193	12.1
394.19897	3.8
435.27225	2.3
443.24219	1.1
461.23834	1.3
479.24615	20.3
479.29688	8.4
480.24338	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	479.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.8
59.01368	0.6
62.99723	0.5
69.86952	3.7
79.01851	1.2
82.57735	0.5
83.01373	1.0
85.06606	2.8
87.04506	2.4
87.14268	0.6
95.05016	1.1
97.06625	0.8
98.19878	1.1
98.56282	0.6
99.04515	1.0
99.08146	1.1
101.04006	0.7
101.06094	0.6
107.05003	0.6
109.02930	2.2
109.06611	0.9
111.04533	5.0
111.08144	0.9
121.02930	1.0
121.06609	0.6
123.04505	0.8
123.08205	1.2
125.02524	0.5
125.06090	3.9
126.06460	0.5
135.04520	0.6
137.06082	1.8
137.09648	0.9
139.07648	1.3
139.64313	0.5
141.05531	0.7
145.02974	21.0
146.03273	0.9
147.04543	0.8
149.02425	1.0
150.03239	0.7
151.00337	1.7
151.03966	1.5
157.06537	2.2
161.06119	0.7
167.65535	0.6
172.05313	0.6
173.02371	0.6
177.01952	0.5
178.02682	0.5
179.07220	0.5
179.10782	0.7
181.08624	0.5
183.06595	1.1
188.83258	0.5
193.08690	1.5
195.06526	1.1
197.11943	0.5
199.03951	2.2
200.04778	4.0
201.05467	2.3
205.08583	1.0
208.07419	1.0
213.05473	1.6
213.09189	0.7
215.12903	0.6
221.08212	12.0
222.08592	1.0
223.13312	1.8
225.05562	0.7
225.09308	1.0
226.06377	2.8
227.07022	2.2
227.12900	1.0
228.04346	2.8
228.07602	0.8
229.05045	3.9
232.03745	4.5
235.09572	0.7
241.05042	0.6
241.08611	2.4
243.06506	0.8
249.11063	1.2
253.05000	1.2
254.05753	1.1
255.06621	7.1
256.07300	3.9
257.08102	1.5
263.12878	0.7
267.06500	1.1
269.08047	3.1
270.08649	0.6
281.13785	1.9
282.14575	0.6
297.07706	1.4
299.12714	1.3
305.13849	2.2
319.15509	0.9
331.18909	1.0
333.13278	0.7
333.20648	1.0
339.17975	1.1
349.20081	0.7
351.08563	1.5
351.12204	3.3
352.13199	0.6
353.13647	2.1
365.19766	10.3
366.19852	1.3
367.15756	0.8
377.19202	1.0
378.20090	1.5
379.21283	5.3
382.17682	0.9
393.16891	3.1
395.14801	3.5
396.14883	0.7
405.21872	0.6
409.16193	1.0
410.17380	11.4
411.17477	1.8
417.26300	1.5
442.16287	0.8
443.23920	0.9
447.23792	5.6
448.23792	0.9
461.25479	10.1
462.25912	2.2
479.24448	100.0
480.24820	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.244
Annotation	Demethylzeylasteral
Peak:m/z	Relative Intensity
51.70996	0.5
55.01874	0.8
57.03435	2.0
57.07339	0.5
59.01410	0.7
71.49107	1.2
71.60510	0.6
79.01897	4.2
79.05530	1.8
80.29518	0.5
87.04528	0.7
95.69566	0.5
107.04957	0.6
109.06632	0.6
111.00880	0.7
111.04491	1.8
119.04239	1.0
119.05041	11.6
121.02950	6.0
123.08193	0.6
124.01673	1.5
125.02462	25.4
125.06066	0.6
126.02824	0.9
131.05070	0.8
133.06592	0.9
135.08173	0.8
137.02454	1.6
137.09702	1.0
141.15846	0.6
141.73654	0.5
144.00633	0.6
145.01877	0.8
145.02985	10.5
146.03354	0.8
147.04556	1.0
151.00391	8.0
151.11340	0.6
152.00967	0.5
157.06613	1.3
168.05855	1.2
179.07204	0.8
179.10748	1.1
185.06067	1.3
193.08687	3.1
197.11844	37.8
198.06905	0.8
198.12166	2.5
199.07683	0.9
201.05618	2.5
201.09119	0.8
202.29266	0.5
207.10268	1.5
209.06119	0.7
211.07611	0.6
212.04774	1.4
213.05586	6.0
214.05994	0.9
215.03445	1.3
221.08194	5.5
225.12878	0.8
229.05055	60.1
230.05525	6.0
237.12939	0.7
253.05118	2.9
253.12285	1.2
255.13814	3.1
263.12881	1.5
263.84689	0.5
264.13593	2.0
265.14383	2.2
281.11786	4.5
282.12332	0.8
290.13062	1.0
296.12650	4.9
299.12888	20.9
300.13141	2.2
305.13956	1.5
311.16577	1.3
327.15964	1.1
333.20715	36.4
334.21005	4.1
348.17282	1.2
355.15573	1.7
357.20679	1.4
364.16647	0.8
392.89255	0.7
417.24319	2.5
418.24817	0.6
433.23801	2.5
435.25378	5.7
436.25409	1.0
461.23572	1.5
479.24393	100.0
480.24686	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	479.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03434	2.0
59.01382	0.4
71.43607	0.5
71.43970	0.8
79.01884	3.7
79.05529	1.3
95.05054	0.7
101.04005	0.6
109.02989	0.6
111.04582	0.7
112.01708	0.5
119.05058	10.3
121.02961	4.0
124.01681	1.8
124.79325	0.5
125.02470	14.8
129.03445	0.7
131.05029	0.7
133.06621	1.0
135.08191	0.7
137.02495	1.3
138.03247	1.0
138.10243	0.5
139.07680	0.5
144.00662	0.6
145.02972	15.6
145.04108	0.9
146.03288	0.7
151.00372	7.3
152.01123	0.7
153.01927	0.5
157.06647	2.2
168.05795	1.7
173.02318	0.5
179.07103	0.7
185.06131	0.7
193.08626	1.9
197.11836	24.4
198.12160	1.6
200.04788	1.2
201.05632	1.6
207.10190	1.1
209.06184	0.6
212.04730	1.4
213.05602	4.7
215.03401	1.1
221.08192	2.4
226.06282	0.7
227.07040	0.9
229.05054	46.1
230.05453	4.9
232.03790	0.7
237.12906	0.9
241.08569	0.7
247.16875	0.5
253.04993	2.3
253.12344	1.2
255.06613	2.2
255.13879	2.0
256.07385	2.0
257.04517	0.8
259.13409	0.5
264.13684	0.8
265.14441	1.9
269.08182	1.1
271.06021	0.7
281.11850	3.3
282.12695	0.6
296.12546	3.0
299.12863	17.9
300.13101	1.5
305.13940	1.0
311.16550	1.5
327.15894	0.6
333.20703	22.5
334.20959	2.8
347.16449	0.6
348.17212	0.7
351.12436	0.9
353.13910	0.9
355.15430	2.4
357.20517	1.0
364.16733	0.8
365.17053	0.7
393.17044	1.4
395.14804	1.3
410.17114	3.4
411.17780	0.6
417.24078	1.9
433.23798	1.8
434.23758	0.9
435.25388	2.4
461.23532	1.1
479.24365	100.0
480.24695	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	479.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01388	0.7
67.01883	0.4
71.05030	1.4
71.18750	1.0
79.01921	0.7
80.11739	0.3
83.05064	0.5
85.06636	0.4
87.04512	0.5
91.01940	0.6
95.05022	0.4
101.03985	0.5
101.06103	0.3
109.02966	0.5
111.04563	1.0
119.05032	3.4
121.02975	1.5
123.04539	3.5
125.02486	0.8
136.35986	0.4
137.02483	0.4
139.07626	0.4
141.09221	0.7
145.02977	22.2
145.06645	1.1
146.03333	1.0
147.04556	2.1
149.02493	0.7
150.03261	0.7
151.03996	0.4
157.06631	1.0
163.04057	0.9
169.06586	1.2
171.08180	1.4
177.01962	2.1
177.05569	0.3
178.02682	0.6
181.10216	0.4
183.84019	0.4
191.03531	11.4
192.03882	1.2
195.06694	0.4
197.09746	0.4
199.07779	0.4
201.23286	0.4
207.08313	0.4
210.08522	0.6
211.07465	0.6
213.05496	0.4
221.08232	1.1
221.15550	0.4
222.08667	0.4
225.09178	2.8
226.09729	0.4
227.07195	1.8
228.07983	0.4
229.05167	0.9
241.05110	2.3
241.08620	1.7
242.05983	1.8
243.06589	1.2
255.06622	18.6
255.71092	0.4
256.07236	4.3
265.14389	0.8
267.06595	1.2
269.08182	65.5
270.08578	7.2
279.15872	0.4
280.16287	0.8
289.14471	0.4
295.09738	1.2
295.17056	5.6
296.17404	1.0
299.12943	0.9
309.10922	0.4
317.13824	0.6
333.20718	0.9
339.12378	0.8
340.12860	0.6
351.08691	0.6
351.18250	0.8
353.13965	1.2
393.17136	2.3
394.17712	0.8
403.21112	0.6
409.16464	1.2
410.17264	0.6
411.17838	0.5
412.98511	0.4
443.24463	1.2
478.29276	0.6
479.24353	100.0
480.24713	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	479.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03455	1.5
59.01378	0.9
64.42952	0.3
66.23929	0.2
70.73642	0.8
71.05030	0.5
73.42085	0.3
79.01907	1.0
80.32460	0.3
83.05054	0.4
92.22524	0.3
93.03493	0.2
101.03976	1.6
103.83773	0.3
109.02943	0.3
109.06641	0.4
111.04531	0.5
111.08206	0.3
119.05064	0.5
121.02991	1.7
122.03713	0.3
123.04556	0.6
123.08179	0.4
125.06091	1.1
133.06583	0.4
137.02493	0.3
137.09824	0.3
145.02975	62.4
146.03316	3.3
147.04565	0.7
149.02458	0.6
150.03299	0.7
151.00375	0.7
151.11308	2.2
157.06592	2.4
161.06085	0.3
164.04808	0.3
171.04549	0.6
172.05289	0.8
173.02438	0.9
173.06114	0.4
177.01990	0.4
178.02718	0.7
179.07216	0.4
183.04572	1.5
191.07178	0.3
199.04018	1.1
200.04813	5.5
201.05566	3.5
203.14375	0.4
206.09476	0.3
211.07646	0.5
213.05606	0.6
219.17537	1.2
221.15492	0.7
225.05562	0.5
225.09207	1.1
226.06317	0.9
227.03650	0.4
227.07126	1.0
228.04294	2.9
228.07759	0.3
229.05051	1.7
232.03777	4.4
233.04208	0.5
233.08131	0.3
233.11703	0.4
241.05029	0.5
241.08723	0.7
242.05855	0.6
243.06381	0.4
247.09825	0.3
254.06058	0.4
255.06607	4.6
256.07358	2.4
257.08044	0.4
261.14920	0.3
267.06787	0.6
267.12427	0.3
269.08173	1.1
285.13467	0.3
287.12997	0.4
289.21719	4.8
295.09830	0.5
297.07608	0.4
305.13947	2.1
323.12903	0.5
325.14246	0.5
331.19250	0.6
336.12009	0.4
339.12195	0.5
348.17188	0.4
351.12311	0.8
353.13968	2.3
365.17706	1.6
367.15479	1.0
368.15454	0.3
373.20187	1.0
381.17020	0.5
382.17648	0.9
391.21277	0.6
392.16171	0.6
393.17093	5.3
394.17282	0.8
395.15009	5.1
396.15405	0.6
409.16638	1.5
410.17340	10.2
411.17700	1.8
442.16135	0.8
447.23752	1.3
461.25308	0.5
479.24408	100.0
480.24741	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97892	0.3
54.70606	0.3
57.03456	0.4
71.19353	0.8
72.57875	0.3
79.01903	0.6
84.34051	0.3
93.03455	1.1
106.85255	0.3
109.02982	0.7
114.93774	0.3
117.03470	1.4
123.04518	1.0
135.04597	0.7
136.01692	0.4
137.02492	0.9
145.03023	1.7
147.04500	0.9
149.02449	2.3
150.03229	4.4
151.04008	1.1
159.04538	0.5
161.02455	9.7
162.03171	0.4
163.03978	0.9
165.09244	1.0
171.04596	0.5
173.06071	0.8
177.01942	11.4
178.02733	4.5
179.03505	0.4
185.06049	0.5
187.00339	0.5
189.01961	1.3
191.03523	3.7
199.07617	1.1
201.05594	0.5
210.01682	0.5
215.03384	0.5
216.04193	0.4
225.05457	0.4
227.07162	2.9
228.07660	0.6
229.04991	0.6
230.05774	0.5
241.08719	0.7
241.12306	0.5
242.05702	0.4
243.06618	5.6
244.07254	2.6
245.07893	0.6
255.06628	8.8
256.06949	1.6
257.04538	4.3
258.05176	2.6
259.05911	0.7
270.05215	0.4
271.06094	81.9
272.06735	22.7
273.07147	1.9
283.06094	4.5
284.06635	1.1
285.07687	10.8
286.07977	1.3
297.07626	1.0
304.05692	0.4
316.13028	0.7
337.10748	0.9
339.12466	0.6
353.13876	0.6
382.17715	0.5
385.20401	0.5
393.17017	1.4
395.15277	0.7
409.16504	4.8
410.17313	3.2
411.17456	0.5
435.25320	1.1
479.24368	100.0
480.24701	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	479.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
65.47192	0.4
67.01923	0.8
69.65438	1.3
69.65869	2.0
71.01392	0.6
71.05034	0.7
73.03001	0.5
82.78771	0.4
85.06637	0.4
87.04591	0.7
94.25875	0.3
97.02966	0.4
101.06060	0.5
107.71642	0.4
111.04533	3.3
119.05031	2.6
121.02995	1.3
123.04534	4.6
123.08194	0.5
136.98874	0.5
139.04022	0.5
141.09262	0.7
145.02974	15.2
145.06621	0.4
146.03311	0.5
147.04539	2.4
150.03267	1.5
151.04012	1.0
157.06630	1.1
163.04031	0.8
163.93842	0.4
169.06645	0.6
177.01964	1.7
178.02794	1.0
179.03561	0.9
183.06613	0.5
191.03532	9.7
191.05028	0.4
192.03900	1.0
193.08604	0.6
201.05522	0.5
209.08180	1.6
209.11862	0.4
211.13440	0.7
213.05643	0.9
214.06203	0.4
219.06563	0.9
219.38335	0.5
221.08180	11.4
222.08952	5.9
225.09274	2.8
227.07124	2.1
228.07899	0.5
229.05142	1.2
235.09714	0.8
236.10045	0.5
241.05074	2.7
241.08752	0.8
242.05730	2.4
243.06512	1.3
243.13914	0.6
245.04370	0.7
255.06627	16.4
256.07303	6.4
257.07870	0.6
262.08353	0.4
267.06647	2.4
268.07190	0.5
269.08176	62.0
270.08557	7.4
271.02448	1.2
283.02615	2.4
291.38541	0.4
295.09811	1.2
295.16971	0.8
299.12836	0.9
305.14023	2.1
322.14297	1.1
326.07858	1.7
333.16974	0.5
333.20700	1.0
335.15115	0.9
340.12830	0.7
353.13882	0.9
377.83447	0.6
391.15411	1.2
393.16754	2.6
409.16565	0.5
410.17215	1.4
411.05652	0.8
419.23392	0.8
431.18796	0.7
431.24423	9.3
432.24384	0.9
447.23907	0.6
461.25275	2.5
462.25281	0.6
479.24326	100.0
480.24698	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	479.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43095	0.8
57.03450	7.3
59.01379	1.0
67.47302	0.8
69.03456	1.6
71.05027	23.8
71.21238	1.6
71.21574	1.1
72.92004	0.8
79.01881	2.1
83.05020	1.7
85.02961	3.3
85.06615	4.6
87.04534	4.8
95.05028	2.0
97.06600	1.0
107.05016	1.1
109.02943	1.4
109.06598	1.4
111.04534	15.2
111.05216	1.5
111.08157	2.4
119.05048	8.5
121.02979	3.4
121.06599	1.3
123.04533	0.9
124.01653	3.5
124.05311	1.1
125.02488	4.3
125.06142	1.5
133.06567	1.7
137.06107	1.5
137.09755	5.2
139.04048	1.5
139.07642	2.7
139.11302	11.3
145.02963	11.4
149.09766	1.6
151.00414	4.6
151.04008	2.9
152.04524	1.0
153.01939	1.1
155.07175	5.0
157.06662	1.2
159.04424	1.0
161.09717	1.0
163.07639	2.8
165.09270	1.3
168.05841	5.5
175.04066	1.4
177.09193	0.9
179.10808	1.5
181.05099	4.6
181.12381	1.2
185.06044	1.8
187.07797	0.9
193.08601	1.4
194.05919	5.0
195.06580	1.0
197.11844	4.8
198.05331	2.3
199.07582	1.1
201.05627	5.2
203.10782	2.5
209.06110	8.7
209.08098	1.4
210.06673	2.4
211.07619	3.0
212.04782	3.9
213.05569	7.5
214.06303	1.4
215.10765	1.6
219.17546	1.6
221.08173	3.4
221.15356	1.6
222.08882	2.1
223.09514	1.3
225.05672	1.2
226.06326	3.1
228.04477	1.0
229.05061	55.2
230.05586	6.0
233.11739	2.4
235.09770	9.2
236.10194	11.3
237.10442	8.1
237.12773	1.9
251.12880	2.1
253.05058	5.1
254.05589	1.3
255.13907	6.6
265.14493	1.4
273.14911	2.7
281.11694	8.0
281.14401	1.0
282.12305	1.0
283.13434	1.4
289.18292	2.1
289.21710	11.2
290.21957	1.1
295.13361	1.5
299.12900	50.1
300.13232	6.0
323.12592	4.1
325.10721	1.4
331.19150	3.4
333.17172	2.2
333.20728	27.7
334.17438	1.3
334.21130	3.0
335.17651	1.1
349.20233	9.2
350.20682	1.4
351.18140	100.0
352.18463	13.0
393.19189	13.2
394.19821	3.1
435.27484	1.1
443.24564	2.1
461.23633	2.6
478.28992	4.3
479.24411	30.5
479.29404	20.1
480.24438	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	479.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83416	0.5
57.03426	1.0
69.59735	1.8
69.60213	2.6
79.01927	0.6
93.03445	0.7
94.27950	0.5
98.19712	0.7
100.33464	0.6
109.02950	0.9
109.70181	0.6
111.04510	0.9
117.03461	1.7
121.06603	0.7
122.21255	0.5
123.04565	3.2
135.04471	1.2
145.02940	4.1
147.04497	1.9
147.99617	0.7
149.02412	1.8
149.99538	0.5
150.03255	1.5
151.04015	0.9
161.02461	11.9
163.03960	0.8
173.06071	1.1
177.01952	4.6
178.02498	0.9
185.06065	1.3
187.00415	0.8
189.01863	0.9
191.03516	9.6
192.03819	0.6
209.11696	0.7
217.05074	0.5
226.44931	0.6
227.06935	1.0
229.05064	0.8
241.08662	1.9
243.06612	1.6
244.07341	0.7
253.10744	0.6
255.06667	1.3
255.11314	0.8
255.61482	0.5
256.07330	0.7
257.04498	4.2
257.07257	0.7
257.07886	0.6
258.05310	3.6
259.05807	0.6
261.76050	0.7
266.14661	0.6
267.15030	0.6
269.08124	1.8
271.06097	27.1
272.06741	6.7
283.06091	2.1
285.07684	46.6
286.07950	3.5
295.14444	1.0
296.14749	0.7
297.07516	1.0
297.14984	0.6
339.12460	3.2
339.26859	0.6
353.13852	2.2
367.15463	0.8
382.86987	0.5
393.16779	0.8
399.95291	0.7
409.16574	3.3
410.17123	2.0
435.25351	1.5
443.24478	1.0
447.27234	0.7
479.24323	100.0
480.24677	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	479.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83416	0.5
57.03426	1.0
69.59735	1.8
69.60213	2.6
79.01927	0.6
93.03445	0.7
94.27950	0.5
98.19712	0.7
100.33464	0.6
109.02950	0.9
109.70181	0.6
111.04510	0.9
117.03461	1.7
121.06603	0.7
122.21255	0.5
123.04565	3.2
135.04471	1.2
145.02940	4.1
147.04497	1.9
147.99617	0.7
149.02412	1.8
149.99538	0.5
150.03255	1.5
151.04015	0.9
161.02461	11.9
163.03960	0.8
173.06071	1.1
177.01952	4.6
178.02498	0.9
185.06065	1.3
187.00415	0.8
189.01863	0.9
191.03516	9.6
192.03819	0.6
209.11696	0.7
217.05074	0.5
226.44931	0.6
227.06935	1.0
229.05064	0.8
241.08662	1.9
243.06612	1.6
244.07341	0.7
253.10744	0.6
255.06667	1.3
255.11314	0.8
255.61482	0.5
256.07330	0.7
257.04498	4.2
257.07257	0.7
257.07886	0.6
258.05310	3.6
259.05807	0.6
261.76050	0.7
266.14661	0.6
267.15030	0.6
269.08124	1.8
271.06097	27.1
272.06741	6.7
283.06091	2.1
285.07684	46.6
286.07950	3.5
295.14444	1.0
296.14749	0.7
297.07516	1.0
297.14984	0.6
339.12460	3.2
339.26859	0.6
353.13852	2.2
367.15463	0.8
382.86987	0.5
393.16779	0.8
399.95291	0.7
409.16574	3.3
410.17123	2.0
435.25351	1.5
443.24478	1.0
447.27234	0.7
479.24323	100.0
480.24677	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	479.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
59.01358	1.8
61.98815	0.9
65.60891	0.6
69.03455	0.9
70.08080	3.0
71.04999	1.4
73.89474	0.7
78.20913	0.7
81.03490	0.9
83.01389	0.7
83.05009	2.2
85.02953	1.4
85.06616	1.1
87.04524	3.7
93.03443	2.5
95.01366	1.0
95.04997	0.8
101.06084	3.9
105.81621	0.7
109.03017	0.8
109.06525	1.0
111.04515	2.6
117.03474	1.4
119.05008	3.1
121.02933	1.6
123.08155	0.8
124.05352	1.0
125.02483	0.9
125.06063	2.6
125.09724	1.2
135.08141	1.0
137.02434	1.9
137.06142	0.7
137.09723	1.3
139.03940	1.1
139.07660	1.6
145.02071	0.7
145.02995	8.6
147.04523	0.9
149.02469	0.7
150.03233	1.0
150.68430	0.8
151.00429	1.0
151.04013	1.7
153.09209	1.2
161.02473	8.7
163.04025	1.5
177.01921	0.8
180.03946	0.7
183.06693	0.8
189.01947	8.3
191.03465	1.6
193.12291	0.9
195.06575	1.2
197.15369	1.2
198.15869	1.5
207.02988	1.1
209.11790	2.1
210.12186	1.1
211.13304	1.3
215.03574	0.9
219.06548	1.1
221.08112	1.2
225.05548	0.9
225.11313	0.9
229.05051	7.0
230.02280	4.1
235.09691	3.0
236.10112	4.7
237.10255	3.5
239.03355	2.9
239.07152	3.5
241.04942	3.1
242.02069	0.8
242.05745	1.0
243.03012	9.2
243.05417	1.0
243.06523	1.1
244.03609	1.7
248.10361	0.7
253.05093	0.9
253.10754	2.1
254.11151	1.5
255.02769	0.9
255.06619	2.8
255.11313	2.1
256.07263	2.3
257.04462	3.0
258.01694	11.5
258.04779	1.0
259.02063	1.4
259.13321	2.0
265.05029	1.1
267.06522	2.9
269.04410	3.1
271.02399	42.2
271.05984	10.5
272.03113	8.1
272.06122	1.4
283.02411	59.8
283.06033	53.5
284.02774	5.4
284.06204	6.1
285.04095	0.9
285.07581	2.2
285.13367	1.5
293.04504	1.0
294.05078	1.1
294.14188	1.2
295.02545	0.9
295.14380	1.1
296.03012	0.9
297.03903	3.1
299.09766	0.7
299.12766	4.8
304.35873	0.8
307.06122	4.4
308.06631	1.0
309.07736	10.4
309.11142	1.6
310.08060	1.9
311.05612	3.3
325.07040	2.1
326.07968	49.0
327.08395	8.8
331.19058	1.5
333.20691	2.2
335.17493	0.7
337.07062	1.6
339.08627	1.0
339.18155	11.6
340.18582	1.4
349.07050	0.8
349.20096	0.9
351.08771	19.4
352.09064	2.5
353.13715	1.1
353.19681	1.6
355.08350	0.8
359.18512	1.2
367.11929	1.1
373.20029	2.1
375.12161	1.1
377.02869	0.8
377.13861	0.8
391.21213	1.1
393.13208	11.6
393.17111	1.2
394.14011	5.2
395.11215	2.2
409.16608	7.8
410.13620	42.9
411.14053	6.3
413.23007	1.3
423.07452	0.8
447.23508	1.7
461.25336	2.4
478.28760	2.2
479.24405	100.0
480.24881	20.4
484.62158	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.3
58.03796	1.7
59.01382	3.6
61.98836	3.6
71.05053	4.1
71.71828	1.9
73.02982	1.6
83.05068	1.9
85.02997	3.6
85.06618	3.2
86.03329	1.7
87.04529	6.5
97.06631	5.2
99.04579	2.0
101.06116	4.1
109.06639	3.2
111.04542	13.8
111.08189	4.6
112.04871	2.5
113.06134	1.3
119.05064	2.3
121.02985	2.4
121.06621	2.5
123.08208	3.1
125.06136	4.1
129.09267	1.7
130.09550	1.8
137.06134	1.8
139.04100	4.9
139.07693	1.6
140.04428	1.6
141.04655	1.4
141.05688	4.5
141.09270	2.9
145.02977	17.2
146.03357	3.6
149.06210	1.4
150.04008	1.3
151.00388	2.2
153.05655	1.8
153.09302	1.8
155.07201	2.3
157.08781	3.1
157.97906	1.3
165.12938	3.1
166.13181	1.5
179.10913	1.3
181.12405	4.9
182.12759	3.5
186.05293	1.2
191.10870	4.1
194.05997	2.4
195.10364	1.3
197.11920	2.4
197.15584	5.9
198.15857	4.9
199.16145	2.4
201.05757	1.4
209.11855	12.4
210.12163	7.0
211.12460	3.9
221.08261	5.3
221.11707	1.4
223.13400	2.8
224.13803	1.8
229.05063	11.1
230.02161	3.2
235.09766	1.3
239.03648	4.0
243.02977	12.2
244.03648	3.2
245.04375	1.6
253.10820	10.4
254.11165	13.3
255.02992	1.7
255.06743	4.5
255.11330	9.6
256.07227	1.6
258.01810	4.8
265.14426	2.9
271.02469	46.6
272.03189	11.7
281.14069	3.8
283.02487	100.0
284.02820	9.9
285.04099	6.8
293.14093	2.8
294.05380	2.3
294.14413	3.6
295.14429	6.1
297.04132	4.1
297.07257	1.4
299.12967	6.6
299.15610	2.4
304.02484	4.0
305.13992	2.0
307.06125	19.9
308.06607	2.9
309.07645	19.7
310.08173	1.9
311.05621	2.2
325.07187	25.1
326.07941	80.9
327.08334	9.6
333.17105	2.6
333.20782	5.2
334.17459	3.8
335.17883	4.7
339.08707	11.7
341.06915	1.9
351.18066	12.6
361.24243	1.6
365.19513	3.1
367.21497	2.6
377.19940	1.7
386.77893	1.3
391.27820	2.6
393.13309	12.7
394.13852	1.5
403.26202	1.5
410.13690	49.0
411.14078	7.3
443.24292	1.3
447.23810	20.7
447.29510	1.5
448.24295	3.4
461.25574	4.4
462.25977	1.4
470.02487	1.4
479.26212	55.9
480.26877	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	478.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01363	0.3
61.98832	100.0
66.65874	0.2
68.99835	0.3
69.01037	0.2
71.73415	0.4
84.46781	0.2
85.06585	0.2
87.29247	0.2
95.74777	0.2
109.06631	0.4
111.04537	1.1
125.06115	1.5
126.06416	1.1
127.07730	0.2
145.02982	0.2
151.00386	0.3
161.59949	0.2
177.09213	0.3
187.77028	0.2
189.46104	0.2
203.67975	0.2
207.10562	0.2
229.05180	0.3
235.09904	0.4
236.10330	0.6
243.14066	0.4
245.15482	0.3
253.05074	0.3
263.55374	0.2
275.12939	0.7
289.14468	3.1
290.14929	0.4
301.03616	0.3
302.04025	0.4
305.84030	0.2
314.42358	0.3
316.55908	0.2
343.30106	2.7
345.31714	1.0
348.19083	0.3
349.19232	0.3
373.34741	0.5
391.20471	0.2
392.20807	0.2
402.26480	0.2
415.24902	13.5
416.25259	2.2
417.33786	1.9
443.24194	0.4
444.25073	0.3
445.24954	0.4
446.25357	2.7
477.28162	0.3
478.28210	4.7
479.24286	0.6
479.27490	0.3
479.33911	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	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
61.98832	2.7
69.71063	1.8
71.01411	0.3
76.42751	0.2
77.56445	0.2
90.86530	0.2
92.87875	0.2
125.02549	0.2
145.03011	1.0
151.00421	0.5
158.03740	1.2
170.03740	5.5
173.02388	1.2
185.02467	1.8
186.03242	2.5
187.00398	1.7
188.01074	0.4
197.02466	0.5
198.03221	4.8
199.03522	0.6
212.40300	0.2
213.01952	3.5
214.02731	4.8
215.03137	0.4
241.01414	9.0
242.02203	42.7
243.02568	4.2
243.05072	0.2
257.04541	100.0
258.04858	10.0
301.03445	0.2
302.03711	0.3
303.04010	0.5
311.07452	0.2
404.07443	2.2
447.07324	0.2
447.36017	0.2
479.06738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
56.68578	0.3
57.03437	0.4
59.01374	1.2
61.98830	9.5
70.19303	1.4
71.01386	3.3
72.20000	0.3
73.02961	1.1
83.01414	0.7
85.02969	1.7
95.05067	0.5
99.00905	0.5
101.02469	2.3
101.21898	0.3
107.05054	3.1
108.02191	0.7
109.02975	0.9
113.02483	1.9
122.03754	6.5
123.04532	1.2
125.02469	0.6
125.09737	2.4
131.08691	1.7
135.04544	53.2
136.05414	3.8
137.06081	0.7
143.03477	0.3
144.05920	0.3
145.02982	0.4
147.04539	4.5
148.05325	12.2
149.06023	1.0
151.00398	0.4
151.11360	1.4
157.06589	0.8
159.04506	0.7
160.05309	3.0
161.04578	1.5
161.06084	1.6
162.06938	0.6
163.07603	0.5
164.04776	0.8
165.05678	0.4
173.06070	0.7
175.07643	5.8
176.08374	1.5
177.09232	9.8
178.09561	0.6
187.04028	0.6
188.04826	1.2
189.05501	0.8
201.05621	0.5
203.07170	0.8
214.06419	1.0
215.07141	2.3
216.07841	1.2
217.08655	0.9
229.08691	3.2
230.08969	0.4
245.15497	0.4
255.13890	1.0
257.04517	0.8
257.11884	1.5
258.12561	1.8
271.13443	0.7
272.14163	31.0
273.14938	100.0
274.15298	10.3
284.09003	1.7
287.12787	0.8
303.04141	0.7
315.15915	0.9
341.61227	0.4
347.57315	0.3
431.57837	0.3
435.20251	9.4
436.20569	1.2
479.12744	0.4
479.19165	6.7
479.26077	0.8
480.19754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26779	1.0
57.03447	12.7
59.56965	0.8
60.12329	0.8
69.80677	7.2
69.81000	1.4
71.05023	33.6
78.69636	0.9
81.03468	1.4
83.05060	1.1
85.02960	1.1
85.06628	1.0
87.04523	2.6
89.92271	0.9
95.05029	1.5
97.06615	3.0
99.08168	6.8
101.06106	4.2
109.02981	2.2
109.06609	1.8
111.04512	8.8
111.08219	1.1
121.06605	1.4
123.08170	2.1
125.02467	11.4
125.06102	8.8
126.06401	1.3
135.08240	1.1
137.02502	3.3
137.09714	2.6
139.04031	2.1
139.07703	1.5
139.11308	12.2
141.09267	3.9
149.06189	1.2
149.09773	1.3
150.99277	0.9
151.00420	3.8
151.04111	2.7
151.11331	1.8
153.09267	1.5
155.07150	3.2
155.10840	1.4
165.12903	1.6
167.10818	3.7
177.05620	2.1
179.10747	1.8
180.04294	3.4
181.12450	1.4
184.06981	1.1
191.07190	3.7
191.14481	4.3
192.07893	1.5
193.08694	10.0
194.09570	1.9
195.06665	4.7
195.10152	1.0
197.11902	1.7
206.09579	2.2
209.08197	76.8
210.08553	4.8
211.13493	1.1
215.12840	2.6
217.15912	1.3
219.06654	1.4
219.10040	1.0
221.08281	3.6
231.17511	1.1
233.08336	3.2
235.09850	3.5
235.17053	7.9
236.10535	3.1
247.09886	3.5
248.10715	0.9
249.18646	2.5
253.10950	2.5
261.14929	18.1
262.15527	1.5
263.16461	1.3
265.14420	1.6
266.14883	1.7
273.94183	1.0
275.12891	1.8
279.16010	95.7
280.16333	9.2
289.21768	2.8
290.22171	1.3
293.13992	1.3
301.03525	5.6
307.22803	5.4
331.15552	1.3
333.17145	1.5
343.19455	1.1
351.21777	40.0
352.22272	5.6
353.19632	2.6
375.21890	3.7
459.27652	8.9
460.27933	2.3
477.28772	100.0
478.29062	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.2
59.01380	6.9
60.01720	0.6
61.98832	100.0
62.45236	0.6
63.02408	2.0
65.00325	7.9
67.01914	0.7
68.99817	1.0
71.01392	2.9
71.71879	1.1
72.99313	0.8
73.02930	1.0
73.54877	0.5
75.00886	1.3
78.95918	0.8
81.03461	1.1
83.01394	9.9
83.05036	0.6
85.02974	2.1
87.04531	2.7
89.02480	1.7
97.06602	1.0
101.02474	1.6
107.01402	13.6
108.01694	1.3
109.02979	8.1
111.04541	1.4
113.02500	0.9
121.03001	2.3
121.26787	0.7
122.03828	1.0
123.04560	1.0
124.01694	2.0
125.02463	43.6
126.02818	1.8
129.65797	0.7
131.08562	0.6
135.04607	1.4
137.02484	1.5
146.03722	1.0
148.05347	0.7
149.02409	1.1
150.03313	1.0
151.00389	70.3
152.00705	6.0
153.01955	19.9
154.02333	1.0
159.04547	0.8
161.02444	1.0
161.06105	4.7
163.00424	1.8
163.07698	2.5
165.02002	0.7
165.09404	0.7
167.03560	0.6
168.00728	1.3
169.01440	11.2
169.02791	0.8
170.01849	0.8
172.05269	0.7
173.06076	8.5
174.03256	0.8
174.06882	0.8
175.04153	0.8
175.07681	1.8
177.02007	0.9
177.05594	1.1
178.99867	8.8
180.00275	2.4
187.04042	1.0
189.05579	11.2
189.09238	0.8
190.02731	1.2
190.05994	1.2
191.05630	1.2
191.07370	0.7
195.06586	0.8
197.00908	6.5
197.12022	0.9
199.04037	0.9
201.05600	5.1
201.09225	0.9
202.06201	1.2
212.04831	0.7
214.02518	0.7
215.07210	1.0
216.04221	0.7
217.05154	1.7
217.08696	1.5
218.05914	1.2
219.06610	4.4
219.10330	1.5
220.07156	0.9
227.03571	1.1
227.07370	1.1
228.04169	1.4
229.05060	2.1
230.05460	0.7
233.04558	4.4
233.08096	1.0
243.03041	1.3
243.06696	2.4
244.07283	0.9
245.04567	4.4
245.08302	2.7
253.05110	1.2
255.03085	1.1
256.03680	2.1
257.08130	1.0
259.09790	1.0
261.07861	0.8
262.08426	7.1
263.09210	1.7
271.03125	1.1
271.06204	3.9
272.03378	0.9
272.06390	0.8
273.04141	1.1
273.11414	4.2
273.15018	2.1
274.04736	1.6
287.05728	0.7
289.07184	8.0
300.02728	4.4
301.03497	9.5
302.03891	21.6
303.04156	1.8
311.09280	0.8
317.13834	1.1
322.14331	2.9
323.14679	2.4
325.07379	0.9
327.08908	1.2
335.11523	0.8
345.17209	0.9
353.06705	3.4
371.11526	3.4
379.08414	1.4
397.09323	11.6
398.09656	1.7
415.10339	79.1
416.10699	10.0
417.25449	0.9
435.17001	1.1
477.24521	5.0
478.06979	5.0
478.25015	7.3
479.08322	1.2
479.19543	8.1
479.26645	3.0
489.58768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03451	11.4
59.01395	0.5
65.00319	0.4
70.16395	1.9
70.91775	0.4
71.05033	1.5
71.39764	0.3
74.46698	0.4
81.03463	0.6
83.05031	1.4
85.06584	1.8
87.04532	5.1
95.05059	0.6
97.03003	0.6
97.06593	1.0
98.19988	0.5
99.08172	5.4
101.06091	1.8
107.01397	0.4
107.05061	0.6
109.03014	0.7
109.06590	0.9
111.04539	7.2
111.08189	0.4
117.58015	0.4
118.66354	0.4
121.02965	0.5
121.06612	0.9
123.04539	1.7
123.08189	1.8
124.05317	0.8
125.06117	19.9
125.09752	10.4
126.06484	0.7
135.08177	0.8
137.06096	1.1
137.09752	1.3
139.03996	0.8
139.07637	2.4
139.11331	0.7
144.77209	0.4
145.06630	0.6
146.68568	0.4
147.08286	0.5
149.02460	0.4
149.06108	0.4
151.00415	1.8
151.04028	3.1
151.07736	0.4
153.09315	0.5
161.06084	0.4
163.07727	0.7
163.11320	1.2
165.05617	0.4
165.12866	1.0
166.02789	0.5
167.03493	1.7
168.04282	2.1
175.11246	0.6
177.09288	0.6
177.12892	2.0
178.99867	0.6
179.03459	0.5
179.07202	0.6
179.10840	0.7
180.04257	0.5
181.08745	0.7
181.12309	0.9
189.09201	1.0
191.10803	1.4
193.05052	0.4
193.08702	0.6
193.12372	0.5
195.06642	0.8
203.10902	0.6
203.14394	1.2
205.04976	0.6
205.08597	0.4
205.12305	0.5
207.06694	0.9
207.10312	3.1
207.13919	2.6
208.07446	0.5
209.08209	2.1
209.11827	0.7
217.12296	2.7
219.06609	0.6
219.13943	0.6
220.07121	0.4
221.08194	7.0
221.15280	0.4
222.08846	1.2
223.09671	0.4
223.64145	0.4
233.08246	2.7
235.09752	3.7
236.10452	0.9
237.07677	0.7
247.09708	1.2
247.17072	2.3
249.11276	0.7
251.09238	2.7
251.12930	0.9
253.10788	1.4
259.17087	1.3
261.11362	0.6
261.15015	0.5
263.09241	1.8
265.14383	0.6
273.18710	0.4
275.16458	0.6
277.10928	0.5
279.15945	1.8
289.14563	0.4
289.17813	0.4
293.14124	0.7
293.17773	0.4
293.21182	1.5
299.20200	1.5
301.03546	5.3
302.03970	0.8
303.12750	0.7
303.15973	0.9
307.15488	0.5
309.13477	0.7
317.17654	0.6
317.21429	1.0
321.13470	0.5
321.17068	1.0
331.15445	0.5
333.17142	1.2
357.24377	1.6
359.14337	0.5
359.18607	7.2
360.18759	0.7
361.16492	0.9
374.21069	0.9
375.18005	0.7
375.25345	4.0
376.25717	0.5
387.18240	0.7
391.17813	0.7
401.23343	1.5
402.20331	2.2
403.21252	1.4
407.20706	0.6
415.28525	5.0
416.28894	1.2
433.29559	1.2
445.22247	1.3
447.27737	0.6
459.27768	1.0
477.29245	100.0
478.07578	0.4
478.29559	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19264	0.4
57.03434	1.4
59.01371	0.3
70.15810	1.7
71.05009	0.4
78.95898	1.4
79.01880	0.5
91.87853	0.4
97.06600	1.1
98.19965	0.5
99.08131	0.4
101.06094	0.6
107.05002	0.4
107.85873	0.4
109.02953	0.6
109.95115	0.4
111.04527	1.5
121.06607	0.5
123.04549	1.1
123.08179	0.4
124.05388	0.3
125.06107	3.8
125.09753	0.7
136.44072	0.4
137.09698	0.5
145.02979	0.6
151.00336	0.5
151.04018	6.0
151.07655	0.4
151.11301	0.6
165.01894	0.4
165.05559	0.9
166.02751	0.9
167.03650	0.6
177.01913	0.9
179.03474	1.3
179.10757	0.6
180.04291	1.4
186.69717	0.4
191.10886	0.5
205.12305	0.7
207.10301	0.9
217.08647	2.4
219.06586	0.5
221.08191	6.0
222.08957	3.4
223.09763	6.4
233.08263	0.4
235.09767	71.1
236.10258	10.1
237.10803	0.4
249.11307	7.9
250.11710	0.8
275.20105	0.5
283.02341	0.5
289.14432	1.2
293.14087	0.6
301.03592	1.0
315.15985	0.7
333.17105	5.5
334.17386	0.7
338.17316	0.8
349.16776	0.7
351.14359	0.5
351.18274	1.0
377.19717	0.7
391.21429	0.5
399.05389	0.4
403.21381	1.3
407.20758	0.6
408.21609	2.3
409.21835	0.7
445.22147	0.9
460.24124	0.5
464.88171	0.4
477.28650	100.0
478.28992	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41132	0.3
55.01886	0.5
57.03444	5.4
68.99817	0.6
70.22720	0.8
70.23133	0.8
71.05030	1.7
79.03784	0.3
79.05538	0.5
83.05061	1.0
85.06598	0.5
87.04531	1.1
93.03496	0.3
97.02980	0.7
97.06620	0.8
99.08169	4.9
101.06115	1.2
105.07134	0.3
107.01364	0.4
107.05058	0.4
109.02991	0.5
109.06590	0.4
111.04537	3.9
114.22680	0.4
119.08701	0.4
121.03011	0.6
121.06618	0.7
123.04539	1.1
123.08207	1.3
125.06101	16.0
125.09737	13.7
125.53860	0.3
126.06471	0.6
126.10094	0.8
133.10248	0.3
135.04578	0.4
135.08199	0.4
137.09785	0.4
139.11320	0.4
145.06638	0.7
149.02472	0.5
149.06097	0.4
149.09743	0.6
150.03232	0.5
151.00404	0.9
151.04134	0.7
153.09206	0.5
163.11353	0.9
165.12895	1.0
168.04359	0.6
177.02031	0.4
177.05626	1.0
177.09241	0.8
177.12856	3.0
178.06413	2.3
179.03712	0.3
179.07036	0.3
179.10818	0.6
181.08762	0.5
181.12386	1.0
189.09279	0.6
189.12846	0.5
190.02904	0.4
191.10846	1.1
193.08791	0.4
193.12375	1.2
203.10881	0.5
203.14444	2.2
205.05078	10.0
206.05775	2.5
207.06573	1.2
207.10283	1.9
207.13901	2.4
217.12396	0.6
217.16031	1.0
219.06667	1.8
221.08249	1.0
221.15346	0.3
231.13905	0.6
232.14690	0.3
233.08264	0.4
233.15659	0.3
235.13533	0.4
235.17046	0.8
238.04889	0.4
245.15718	0.4
247.09856	1.0
247.17000	1.5
251.09177	0.5
259.16983	0.8
261.14981	0.6
273.11462	0.3
275.20193	0.4
283.17136	0.4
293.17593	0.7
293.21008	0.3
299.20236	1.3
301.03400	1.6
305.14050	0.5
317.21280	1.5
319.15576	0.5
327.15906	0.4
333.17300	0.6
337.20386	0.6
339.23642	0.5
344.16284	0.7
345.17087	1.8
345.20703	0.4
357.24377	1.2
359.18689	0.5
361.16492	0.7
375.25531	3.6
376.25616	0.5
401.23572	1.4
403.21298	0.7
413.23325	15.3
414.23758	3.6
415.28644	0.9
433.29907	1.6
434.30496	0.5
445.22308	2.6
446.22443	0.4
477.28738	100.0
478.29126	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	477.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26779	1.0
57.03447	12.7
59.56965	0.8
60.12329	0.8
69.80677	7.2
69.81000	1.4
71.05023	33.6
78.69636	0.9
81.03468	1.4
83.05060	1.1
85.02960	1.1
85.06628	1.0
87.04523	2.6
89.92271	0.9
95.05029	1.5
97.06615	3.0
99.08168	6.8
101.06106	4.2
109.02981	2.2
109.06609	1.8
111.04512	8.8
111.08219	1.1
121.06605	1.4
123.08170	2.1
125.02467	11.4
125.06102	8.8
126.06401	1.3
135.08240	1.1
137.02502	3.3
137.09714	2.6
139.04031	2.1
139.07703	1.5
139.11308	12.2
141.09267	3.9
149.06189	1.2
149.09773	1.3
150.99277	0.9
151.00420	3.8
151.04111	2.7
151.11331	1.8
153.09267	1.5
155.07150	3.2
155.10840	1.4
165.12903	1.6
167.10818	3.7
177.05620	2.1
179.10747	1.8
180.04294	3.4
181.12450	1.4
184.06981	1.1
191.07190	3.7
191.14481	4.3
192.07893	1.5
193.08694	10.0
194.09570	1.9
195.06665	4.7
195.10152	1.0
197.11902	1.7
206.09579	2.2
209.08197	76.8
210.08553	4.8
211.13493	1.1
215.12840	2.6
217.15912	1.3
219.06654	1.4
219.10040	1.0
221.08281	3.6
231.17511	1.1
233.08336	3.2
235.09850	3.5
235.17053	7.9
236.10535	3.1
247.09886	3.5
248.10715	0.9
249.18646	2.5
253.10950	2.5
261.14929	18.1
262.15527	1.5
263.16461	1.3
265.14420	1.6
266.14883	1.7
273.94183	1.0
275.12891	1.8
279.16010	95.7
280.16333	9.2
289.21768	2.8
290.22171	1.3
293.13992	1.3
301.03525	5.6
307.22803	5.4
331.15552	1.3
333.17145	1.5
343.19455	1.1
351.21777	40.0
352.22272	5.6
353.19632	2.6
375.21890	3.7
459.27652	8.9
460.27933	2.3
477.28772	100.0
478.29062	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.01389	3.5
61.98825	4.8
63.02382	0.6
65.00319	1.0
66.07388	0.7
67.01900	0.6
69.32708	0.6
71.01376	1.9
71.03432	0.8
71.03741	0.7
73.71667	0.6
75.00851	0.6
81.03435	0.9
83.01400	1.4
83.05028	1.5
85.02934	1.1
87.04527	53.3
88.04853	1.1
93.03436	0.8
95.01405	0.9
95.05020	0.7
101.06097	1.7
107.01402	2.5
107.05040	3.4
108.02203	0.8
109.02963	3.6
111.00905	0.7
111.04548	4.7
113.02429	1.1
121.03005	4.0
121.20460	0.6
122.03748	0.7
123.04523	4.2
123.08130	1.1
125.02448	2.9
125.06094	3.0
135.04544	1.3
135.08185	0.6
137.02452	2.7
138.03250	1.2
139.04005	3.3
141.03047	0.6
147.08099	0.7
149.02536	1.0
149.06119	1.3
150.03259	1.5
151.00395	7.3
151.03975	3.1
151.07703	0.8
152.04799	1.2
153.02007	0.9
153.05559	4.0
154.02654	0.7
155.03481	1.6
159.04497	0.9
161.06097	0.7
163.00389	1.5
163.04062	1.9
163.07640	0.9
165.01965	2.1
165.05595	1.1
166.02785	3.1
167.03513	9.2
167.07118	0.8
168.04305	2.4
173.06035	0.7
173.09756	0.8
175.03929	0.9
175.07605	1.2
177.05617	2.1
177.09241	1.4
178.99887	4.9
179.03470	1.7
179.07129	1.4
180.04274	1.2
181.05087	10.0
189.09225	3.2
191.07141	6.3
191.10802	1.1
192.07822	2.1
193.05055	1.3
193.08675	4.1
194.05878	1.2
195.06662	1.5
201.05566	1.5
201.09067	0.7
203.07176	0.8
203.10704	0.7
204.11670	1.6
205.05022	1.3
207.06660	1.0
207.10257	6.2
211.03990	0.7
215.10722	1.4
217.08635	3.1
219.06650	11.8
219.10120	0.9
220.07411	12.1
221.08170	10.2
222.08821	0.8
223.06104	5.3
224.06844	1.9
227.03352	0.8
229.05069	0.8
231.10223	1.8
233.11879	1.3
235.05934	0.7
235.09741	16.5
236.10464	6.1
237.07674	2.8
237.11024	1.4
238.08279	0.9
243.03058	1.0
245.11760	0.8
249.11258	1.9
251.09235	1.7
253.10776	0.9
255.02956	1.4
259.09692	4.8
259.13419	1.3
259.74194	0.6
261.11356	1.4
261.14780	1.0
263.09277	4.6
264.10052	4.0
265.10641	1.7
266.11609	0.7
275.12967	1.0
277.10843	16.4
277.14264	1.0
278.11490	4.4
279.12372	2.2
281.10345	6.4
283.02472	1.1
285.11469	0.8
289.10812	6.1
290.11484	4.2
291.12326	2.5
293.10291	4.5
293.13840	3.1
293.16956	0.6
294.10941	1.0
301.03543	30.5
302.03955	3.4
303.12399	7.6
303.15680	0.9
304.12927	0.9
305.13898	8.9
306.11240	1.2
306.14526	2.7
307.11859	1.3
307.15298	0.9
308.12549	1.3
315.15924	2.8
321.13437	7.6
329.17456	5.7
330.17908	0.7
333.13312	1.5
333.17029	5.6
334.14029	1.1
335.15112	0.9
336.15726	1.3
337.13095	1.1
338.13666	5.5
347.14990	42.4
348.15503	7.9
349.16254	0.8
351.14407	3.4
357.17014	1.4
363.18155	2.0
372.19452	4.9
373.20108	1.9
375.18085	2.7
378.16940	0.8
389.19516	2.2
390.20755	3.0
391.17624	15.3
392.18137	2.1
403.21304	8.3
404.21640	1.1
407.20877	1.2
408.17917	2.1
445.22281	6.5
459.24063	3.3
460.24545	2.0
477.06821	4.9
477.24915	100.0
478.07010	1.0
478.25232	18.0
492.23343	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	477.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
55.58293	1.1
57.03451	6.3
59.01366	2.1
68.99805	1.4
69.03459	1.5
70.15493	6.4
71.05041	1.7
78.95898	2.4
83.05035	2.5
83.78751	1.4
85.06609	3.3
87.04520	9.4
95.05029	6.2
97.02956	3.8
107.05035	2.4
109.02985	2.0
111.04533	40.5
111.08147	1.4
113.06151	1.4
115.04001	2.4
123.04535	4.5
123.08202	3.5
125.02477	1.6
125.06139	3.2
125.09746	2.4
127.07677	1.7
136.05307	1.6
137.02458	4.3
137.06111	1.7
138.35451	1.2
139.03021	2.0
139.04042	35.9
140.04382	1.7
151.00371	1.8
151.04018	18.7
152.04781	4.6
153.05606	3.4
163.11320	1.5
164.04779	2.2
165.05623	2.4
165.09283	2.1
177.01910	6.5
177.05579	1.1
177.09207	3.5
177.12730	1.5
178.02727	2.1
179.03497	1.4
179.07175	4.7
179.10786	1.8
181.05066	2.3
182.05838	13.7
186.05376	7.9
191.07179	1.4
191.10849	2.9
192.07970	4.9
193.05046	1.7
193.08736	10.2
194.05844	5.0
195.06813	1.2
203.07208	5.6
205.05077	7.1
205.08745	1.4
207.06654	9.9
207.10356	2.8
208.07283	2.1
209.15477	1.4
217.08800	1.5
219.06570	5.3
219.10263	4.8
220.03741	2.1
220.07381	7.7
220.10995	4.0
221.08205	100.0
221.11755	4.6
222.08669	11.2
225.11406	7.3
230.05743	1.8
233.11845	2.2
235.09683	9.6
235.13358	2.4
245.08238	1.5
245.15466	1.8
247.09744	2.6
248.06895	17.2
249.07210	2.7
251.12891	53.2
252.13255	6.1
253.10675	1.8
263.09250	63.2
263.12811	7.0
264.09958	28.0
264.12778	1.3
265.10590	4.0
275.12595	1.3
275.56018	1.2
279.23251	5.5
280.23672	15.3
289.10907	3.6
289.14438	16.6
291.15982	1.4
301.03497	1.6
303.15982	2.2
307.18842	1.4
309.12909	1.3
317.13943	1.9
319.15317	3.3
321.17032	3.7
332.16251	17.2
333.17072	69.2
334.17416	8.2
351.14380	3.1
353.16071	4.3
354.53604	1.4
373.19873	1.9
401.19839	4.2
403.21518	1.9
417.23029	7.2
429.22717	5.9
443.24634	2.8
445.22223	2.4
459.23383	1.7
477.24164	46.6
478.24619	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	477.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86225	1.1
55.01854	1.0
56.82719	1.1
57.03449	27.8
63.11655	0.9
66.26169	1.0
69.03476	1.6
69.66980	4.6
69.67410	3.8
71.05022	3.6
79.69680	1.0
83.17764	1.0
85.02957	13.9
85.06609	1.2
86.03305	1.0
87.04536	5.2
98.19872	1.8
99.04505	1.7
100.05325	1.6
101.06075	5.3
104.49003	1.0
111.04543	4.5
111.08176	5.5
123.08189	3.4
125.06128	1.4
127.07696	6.5
129.09258	5.1
139.04030	20.9
139.07689	2.7
141.09232	8.5
145.03003	10.6
151.00473	1.5
151.11368	1.3
155.07166	3.9
163.11374	1.5
165.12868	19.9
166.13182	1.0
171.99655	1.0
181.12384	13.2
182.12746	1.3
185.90659	1.3
186.05367	4.6
191.10806	3.4
195.06549	1.2
195.13972	1.2
195.55669	1.0
197.15504	33.6
198.15765	2.2
209.11855	57.1
210.12195	4.6
219.06625	1.1
219.13815	1.1
221.08142	3.1
223.13408	12.2
224.13834	1.6
253.10823	100.0
254.11238	7.8
275.12814	2.0
280.13361	1.2
289.21667	2.8
293.13989	29.3
293.73093	1.1
294.14230	4.5
301.03491	4.5
309.16943	1.2
324.15738	1.5
350.77875	1.1
363.21603	6.0
389.27017	9.5
390.27106	1.9
433.25833	1.8
445.22278	2.7
477.24826	5.5
477.28775	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	477.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68626	1.0
51.05880	1.0
52.61317	1.1
55.01893	2.5
57.03448	24.5
59.62201	1.3
69.03474	2.1
71.05035	4.5
71.72125	1.7
83.05029	1.4
85.02960	15.5
85.06628	1.5
87.04536	8.6
95.05033	3.0
97.02971	3.0
99.04531	2.9
100.05319	2.6
101.06110	4.3
107.05052	1.6
109.02982	2.7
109.06621	2.1
111.04532	16.5
111.08183	5.0
121.06626	2.4
123.04523	2.2
123.08189	6.5
124.05324	1.7
125.06099	2.2
125.09731	1.4
127.07689	4.9
129.09216	4.9
130.26698	1.2
130.37445	1.3
135.08229	1.6
137.02469	1.3
137.06017	1.6
139.04030	25.5
139.07684	2.5
141.09242	6.3
145.02975	1.7
146.27612	1.3
151.00403	2.1
151.04028	16.5
151.07660	2.3
151.11244	1.6
152.04829	4.6
153.05569	1.5
155.07175	4.9
163.07675	1.4
165.12851	17.6
166.13228	1.2
167.03539	1.9
167.07114	1.6
168.04320	2.7
177.01947	2.3
177.09273	2.7
178.99928	1.4
179.07166	2.9
180.04282	2.0
181.12347	12.2
186.05380	5.8
191.10831	4.2
193.08711	4.3
194.05826	2.9
195.06674	2.5
195.14012	1.5
197.15497	28.1
198.15886	3.0
203.07079	3.7
207.06616	9.2
209.08392	2.2
209.11844	47.1
210.12164	3.8
219.06665	4.5
220.07359	1.7
220.10947	1.8
221.08195	100.0
222.08742	11.0
223.09766	2.6
223.13362	13.5
235.09769	8.7
248.06900	2.4
249.11406	1.6
251.12846	6.7
253.10802	96.1
254.11095	7.3
263.09259	7.4
263.12726	6.4
264.10016	22.4
265.10565	1.7
273.03210	1.3
275.12820	2.0
277.14465	1.7
279.16037	1.6
289.14407	2.7
289.18286	1.3
289.21625	3.0
293.13953	32.3
294.14221	2.7
301.03470	6.6
307.15540	6.1
309.13544	1.7
309.16956	3.0
321.16821	2.3
324.15686	2.8
329.17688	2.0
332.16312	2.0
333.17068	68.0
334.17331	8.5
363.21753	6.3
375.18207	1.7
375.82852	1.4
389.19635	2.9
389.27103	10.0
413.23358	2.6
433.25571	2.9
445.22189	4.1
459.24182	1.4
477.24966	23.9
477.28598	7.9
478.24899	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	477.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	15.7
59.01384	6.7
59.87610	1.2
62.37575	1.3
62.89879	1.2
68.99826	18.9
69.71154	2.9
69.71570	7.6
71.01358	2.0
71.04991	4.9
79.01868	6.0
83.05037	54.6
84.05335	1.6
85.02945	3.2
85.06580	3.4
87.04522	100.0
88.04850	2.2
95.05014	3.0
96.03317	1.8
97.02972	11.3
97.06600	2.7
98.20576	2.9
99.04471	4.5
101.06068	5.6
103.35963	1.2
107.04996	4.2
108.44541	1.5
109.02927	4.5
109.06571	5.5
111.04535	42.1
111.05288	2.6
113.06052	3.0
115.04011	7.0
121.06597	9.3
122.03638	1.3
123.04566	6.7
123.08160	10.8
124.05322	2.1
125.02415	2.7
125.06042	5.2
126.06395	1.8
126.30621	1.4
127.03958	6.1
127.07664	1.6
128.04752	1.5
129.05534	4.0
135.04482	2.5
135.08148	1.7
137.06046	5.5
137.09666	3.7
138.03062	1.8
139.03941	4.1
139.07674	8.7
141.09215	1.5
145.05005	4.2
147.08118	2.4
149.06020	3.4
149.09677	5.6
151.00410	12.1
151.03951	4.2
151.07675	16.4
151.11259	2.7
152.07889	1.3
153.05492	3.5
153.09123	4.6
155.07094	1.7
163.07576	2.8
163.11287	3.0
165.05482	4.7
165.09183	3.1
165.12869	10.2
166.06357	9.7
167.03427	3.9
167.07169	1.4
168.04297	12.3
171.02940	1.3
173.09756	1.6
175.07603	3.0
177.05408	1.3
177.09236	8.0
178.06331	2.2
178.99973	1.7
179.03456	2.2
179.07123	6.9
179.10632	2.6
180.07741	1.7
181.08568	2.3
191.07120	3.1
191.10730	5.6
193.05058	1.3
193.08589	6.3
193.12279	4.6
194.04463	1.5
194.05856	16.5
195.06633	8.6
195.10258	16.2
196.10597	1.6
198.05374	8.8
201.73161	1.3
203.10616	4.1
205.08595	4.7
205.12346	2.7
207.06541	4.7
207.10228	3.4
209.08174	2.6
209.11771	2.4
215.10648	2.0
217.08479	2.6
217.15878	1.8
219.06555	2.6
219.10152	2.8
221.08078	5.6
221.11766	3.6
222.08681	1.6
224.06737	1.6
225.14975	3.1
233.08067	2.5
233.11728	1.9
233.15385	1.9
235.09668	3.1
235.17023	2.2
245.07965	1.9
245.11723	1.6
247.09845	9.0
249.11050	4.0
260.14020	1.6
261.11142	23.4
261.14728	3.6
263.09250	1.4
263.12909	2.4
267.12231	7.5
273.14853	2.3
275.12735	4.2
277.14417	1.8
279.15790	6.1
287.20175	10.4
289.14227	6.3
289.17487	2.7
291.15829	5.0
293.13773	2.9
294.10986	2.2
301.03552	12.8
303.16092	1.6
305.13803	3.0
305.21240	6.8
317.17166	2.4
319.15421	3.6
321.16974	1.9
331.15329	5.6
331.18909	3.4
332.15656	1.8
337.16357	4.3
341.17545	2.7
345.17111	8.1
349.20013	4.8
359.18683	27.5
360.18719	5.1
365.19449	5.0
372.18893	1.7
374.20929	1.7
384.19128	4.4
385.19748	2.0
389.19653	7.2
391.17310	5.9
401.19629	21.1
402.20294	11.6
403.20935	3.0
408.17542	2.6
417.22565	1.6
431.23892	1.8
434.19272	2.1
445.22205	7.2
459.23608	12.5
460.24069	6.0
477.06320	2.2
477.24609	66.9
478.25122	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	477.2495
Annotation	Striatin C
Peak:m/z	Relative Intensity
55.01881	1.3
57.00702	0.5
57.03447	3.6
59.01368	1.8
61.86539	0.4
61.98811	0.6
64.67750	0.4
64.96656	0.4
65.50835	0.4
66.38172	0.4
67.55029	0.4
68.99837	1.1
69.61858	1.9
69.62280	1.4
71.02499	0.4
79.01923	0.5
83.01394	0.4
83.05037	1.5
85.06599	1.9
87.04516	4.0
87.44240	0.4
95.05058	0.6
96.35398	0.5
97.06602	1.1
101.03967	1.4
107.05062	0.8
109.02950	1.3
109.06600	0.5
111.04536	83.1
112.04852	3.0
121.02999	1.0
121.06606	1.3
123.04556	1.4
123.08168	1.3
125.06117	0.5
135.08170	0.5
137.06113	1.1
137.09721	0.6
139.07664	0.7
141.09253	0.4
145.02975	32.7
146.03281	2.1
147.08215	0.5
149.09798	1.0
150.92857	0.5
151.00410	2.5
151.04065	0.8
153.09154	0.6
157.88376	0.4
161.09692	0.6
163.00372	0.6
163.07576	0.7
164.08434	1.8
165.09236	0.9
168.04262	0.6
175.07591	0.9
177.09274	0.7
178.99817	0.7
179.07170	2.0
179.10814	0.4
181.08682	0.5
191.07133	0.7
191.10802	0.8
193.08693	7.0
195.10234	1.2
203.10895	0.7
205.05049	1.1
208.07407	0.6
209.08217	1.0
217.08778	0.5
219.06610	1.7
219.10277	0.7
220.07402	1.3
221.08211	7.3
221.11639	0.8
233.08197	1.1
233.11827	3.6
235.09691	2.2
241.12479	0.4
247.09761	1.9
247.16852	0.4
248.10451	0.7
249.11327	0.9
260.29941	0.5
261.11292	3.1
261.14932	0.8
262.12054	0.6
263.09256	1.4
267.12280	1.0
270.15216	0.4
271.02362	0.5
273.14993	0.6
275.12558	0.6
279.15878	0.4
289.14557	0.9
291.12637	0.9
291.15967	4.6
293.13928	0.5
294.10999	2.0
297.11252	1.5
300.02863	0.8
301.03473	6.9
302.03854	1.1
305.13870	0.9
307.15292	0.5
317.13931	1.0
321.17120	3.3
322.14114	0.7
322.17468	0.7
323.14517	0.8
324.14752	1.0
331.15448	1.2
331.19193	1.0
333.13132	0.9
333.17081	16.6
334.17371	1.9
337.16290	1.1
343.15591	1.0
357.17105	1.3
359.18555	1.3
361.16580	11.4
362.16904	1.2
374.20886	1.9
374.25031	0.6
375.18112	0.9
377.19913	3.2
379.07806	0.5
385.19919	0.9
387.18329	1.0
400.22348	0.5
401.19604	1.4
402.20490	5.4
403.21155	2.6
406.19891	0.7
407.20367	0.8
427.21262	0.8
445.22308	100.0
446.22675	17.4
459.23703	1.2
477.24884	96.6
478.25284	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	477.2495
Annotation	Striatin C
Peak:m/z	Relative Intensity
55.01875	0.6
57.03447	5.0
61.40653	0.7
69.77448	5.6
71.04999	1.1
73.81080	0.7
83.04996	1.0
85.02907	1.3
85.06597	1.0
87.04524	71.0
88.04821	1.8
95.04966	0.8
98.19907	1.4
99.08105	0.9
101.06044	1.1
104.36100	0.7
107.05005	0.7
109.02959	0.8
109.06548	0.8
111.04525	3.7
111.08173	1.0
121.06572	0.7
122.03765	0.7
123.04478	1.3
125.02428	1.9
125.06077	5.7
125.09703	0.9
133.06493	1.1
135.04468	1.2
135.08093	1.4
137.02386	2.4
137.06059	1.2
138.03166	2.7
139.04039	6.2
149.06027	0.8
149.76842	0.7
151.00325	1.0
151.03932	1.3
152.04688	0.8
153.09145	1.1
161.09659	0.7
163.03998	1.0
163.07593	1.6
165.01880	0.7
165.05469	0.8
166.02734	10.0
167.03511	16.4
168.04297	3.5
168.95692	0.7
173.09642	2.0
175.03947	1.6
175.07552	0.9
177.05524	1.1
179.03555	1.6
179.07051	1.2
180.04128	1.2
181.04993	2.2
191.07018	1.4
193.05133	1.0
193.08661	0.8
193.53468	0.7
203.06982	0.8
205.08632	1.7
207.06514	0.9
207.10184	2.1
207.37418	0.8
208.03598	1.2
208.07051	1.1
209.04570	4.8
209.07986	2.1
209.11638	2.2
217.08514	1.0
218.09363	1.2
221.08063	3.0
231.10204	0.9
231.13739	1.7
233.08096	1.0
233.11623	3.2
235.09744	6.0
235.13280	1.1
236.06964	0.9
236.10463	5.4
237.07614	4.1
237.10985	1.3
245.08189	7.3
245.11853	0.8
246.08617	1.2
247.09772	1.5
249.11160	1.7
251.12729	2.3
253.10733	1.3
254.21051	1.0
259.09494	0.8
259.13428	1.2
261.11313	0.8
263.09070	1.7
264.09775	2.8
264.12881	0.9
265.10611	1.3
265.14337	0.9
266.11374	1.3
274.11798	0.7
275.12820	1.0
277.10477	1.0
277.14230	1.0
278.11459	1.0
279.08481	1.3
279.12146	1.0
279.15601	1.0
285.11508	0.8
289.14258	1.3
293.13660	2.1
301.03525	5.3
302.03564	1.0
303.12375	28.7
303.15842	1.6
304.12750	4.1
305.10843	0.7
305.13934	6.0
306.10883	4.2
306.14487	3.2
307.11472	0.8
307.15085	0.9
308.12439	1.0
313.17929	0.8
315.15829	1.2
319.15536	0.9
320.12503	1.8
321.13528	8.5
321.17007	1.8
322.13712	1.4
329.17706	3.3
330.17838	1.0
333.13135	1.0
333.16983	0.9
334.13974	1.7
335.14523	1.2
343.19119	1.3
347.14706	1.3
347.18393	1.2
348.15387	1.1
357.16840	2.5
372.19458	4.4
373.19894	2.4
375.18118	3.7
378.16666	1.3
389.19324	1.4
390.20325	1.5
391.13293	0.7
391.17584	8.9
392.17828	1.0
403.20929	2.2
417.22528	3.1
445.22186	8.8
446.22192	1.5
459.23587	2.1
460.24142	3.1
461.74030	0.8
477.24521	100.0
478.24838	18.2
492.23846	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	477.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	23.0
59.01365	2.5
61.98811	3.0
64.81191	0.9
65.70813	0.9
68.99856	1.5
69.03458	3.0
71.01385	1.4
71.05022	2.8
71.49083	2.3
79.05533	1.2
79.82939	1.1
81.03451	1.5
83.05038	5.6
85.02943	2.3
85.06599	100.0
86.06952	2.1
87.04523	39.0
93.07093	1.1
95.01404	1.0
95.05040	8.6
97.02954	3.7
97.06600	5.3
99.08188	1.3
103.04068	1.2
105.03437	1.2
107.01420	1.2
107.05035	6.4
109.02962	11.9
109.06575	2.2
111.04533	55.5
111.08172	2.6
111.56689	1.0
112.04890	1.2
113.02486	1.2
113.06121	1.6
121.02953	2.7
121.06571	3.8
121.10232	1.6
123.04514	4.1
123.08158	4.5
123.48474	0.9
125.06084	4.2
125.09754	1.6
127.07622	1.3
133.06631	1.3
135.08224	6.7
137.02449	1.4
137.06084	5.2
137.09718	4.5
139.07649	2.1
147.08136	2.3
149.02498	1.5
149.06052	2.5
149.09755	2.0
151.00369	9.8
151.03989	1.2
151.07664	1.4
153.09187	3.4
154.09624	1.1
161.06062	1.7
163.00291	1.4
163.04037	1.2
163.07677	2.0
163.11261	4.1
165.05588	2.3
165.09232	10.6
165.12820	3.4
166.09511	1.2
167.03484	1.2
167.10797	11.7
168.04233	1.7
175.07669	1.8
177.05551	1.4
177.09262	1.6
178.99831	4.4
179.07132	8.8
181.08708	2.0
181.12376	2.1
189.12740	1.3
191.07188	2.0
193.08717	11.0
195.06595	4.5
195.10278	12.8
196.10564	1.1
205.05028	1.8
205.08632	1.7
205.12326	6.1
207.10291	18.3
207.13774	6.3
208.10741	1.5
209.11841	7.9
210.12215	1.1
219.06653	2.4
219.10245	2.2
220.07310	1.7
221.08122	3.2
221.11703	1.7
222.08824	1.1
223.13426	7.1
225.11362	2.6
225.14937	5.9
231.06567	1.4
231.10252	1.4
233.08121	3.0
235.09685	1.8
235.13400	1.8
237.11256	1.5
241.73259	1.3
247.09698	5.2
249.11150	2.1
251.12907	8.7
253.10736	5.6
255.02872	1.4
263.09137	2.2
263.12735	1.8
267.12402	2.1
273.11258	1.3
275.09192	7.1
275.11823	1.1
275.16254	2.2
277.14352	3.4
278.15262	1.4
279.12280	1.9
279.15961	1.8
289.14301	2.8
291.12225	3.0
291.15637	1.8
293.17603	30.9
294.17780	2.2
301.03537	26.1
302.03848	2.9
303.16055	2.8
305.13870	3.1
305.17413	1.2
306.14520	2.3
307.15515	2.2
319.11816	4.2
319.15524	2.2
321.16971	1.2
331.15524	11.1
332.15891	1.2
337.16629	5.3
338.16605	1.3
347.14798	1.8
359.18704	6.5
361.16537	4.0
363.21667	2.2
365.19714	1.6
371.18521	4.6
373.20035	2.4
373.24280	1.5
375.21811	1.9
377.19455	4.3
389.19717	13.3
390.19998	1.2
401.19553	4.5
403.21191	2.8
407.20566	2.1
415.24951	6.3
417.22726	2.4
433.25989	22.4
434.26111	4.0
443.24454	1.5
445.22195	4.6
459.23532	2.3
477.06406	2.6
477.24789	69.3
478.25183	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	477.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99228	0.3
55.01885	0.6
56.18889	0.4
57.03450	2.7
57.03682	0.4
60.28363	0.3
65.99960	0.3
68.99813	1.1
71.01398	0.7
71.05030	1.0
71.42962	0.6
79.01893	0.4
83.05031	0.5
85.06612	0.8
87.00890	0.4
87.04512	1.4
95.01405	1.6
97.02948	2.6
97.06586	1.0
99.08176	0.5
101.06090	0.6
107.01398	0.5
107.05030	1.1
109.06593	0.7
111.04520	5.9
111.08216	0.6
121.03017	0.5
122.03744	0.4
123.04591	0.9
125.06113	2.5
125.09721	2.0
127.57864	0.4
133.06564	0.7
137.06047	0.5
139.04036	0.6
139.07664	0.8
147.04498	0.4
149.02455	1.0
149.06099	1.0
150.03226	2.1
151.00412	0.9
151.04016	3.1
151.07756	0.4
152.04874	0.5
161.06142	1.0
161.09682	0.5
163.04066	1.6
163.07675	0.9
163.11337	0.3
164.04796	1.0
165.05617	0.5
167.03458	0.5
168.04355	1.0
175.11256	0.7
177.01938	3.5
177.05595	3.9
177.09296	0.5
177.12921	0.4
178.02760	2.5
178.06367	13.7
179.03491	1.2
179.06749	0.8
179.10730	0.4
180.04167	0.5
181.08688	0.8
189.12828	0.5
190.02792	0.6
191.03542	2.7
191.07156	1.4
191.10779	1.5
192.04236	2.1
192.07906	0.5
193.05054	1.6
193.08765	0.7
193.12383	0.9
194.05815	0.7
195.06694	0.9
203.10812	0.5
204.04114	0.5
205.05067	61.6
206.05801	21.4
207.06548	5.1
207.10190	0.4
208.07254	1.3
209.08252	0.8
210.05281	0.5
217.05070	2.5
217.12347	0.9
218.05756	0.4
219.06618	11.5
219.13966	0.6
220.07175	1.2
221.08240	2.4
222.08859	0.5
223.09650	2.0
231.06598	1.2
232.07483	0.5
233.08224	1.5
235.09731	1.0
238.04808	2.6
239.12914	0.7
245.88145	0.5
247.09708	1.8
249.07767	0.5
249.11053	0.5
251.09233	2.2
251.12968	0.6
261.07462	0.5
261.11307	0.5
261.14880	0.7
263.12820	0.5
267.12457	0.4
271.09863	1.0
273.11362	1.0
275.09088	0.4
275.12897	1.2
287.12811	2.4
291.12375	0.4
301.03546	2.9
301.14600	0.7
302.03906	0.6
305.13962	3.3
317.14026	1.2
319.15543	1.1
321.16861	0.5
327.16119	2.7
328.16336	0.4
329.13977	1.2
331.15610	0.5
343.15469	2.4
343.19202	0.6
344.16275	6.7
345.17050	12.5
345.21085	0.8
346.17435	1.4
349.16638	0.6
369.24484	1.2
375.25671	0.6
376.15234	0.7
387.18246	0.8
413.23340	100.0
414.23706	17.5
445.22290	8.2
446.22644	1.6
459.23547	0.8
462.20679	0.7
477.23416	50.2
477.28674	10.4
478.23370	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.1
59.01668	0.9
60.99314	0.8
61.98831	10.5
62.68710	0.5
62.95079	0.5
63.02411	1.0
65.00330	3.6
65.97169	0.5
68.99844	0.5
69.58423	4.4
71.01390	4.0
72.99323	0.8
73.02987	1.0
75.00871	0.9
77.26357	0.5
81.03495	0.9
83.01394	3.4
85.02997	1.7
87.00912	0.9
88.98830	4.0
89.00356	0.8
89.02500	1.5
89.03996	0.5
93.03487	1.2
96.96043	0.8
98.20593	0.8
101.02489	2.1
107.01427	4.1
109.02961	3.6
113.02489	1.4
119.05089	0.6
120.01289	1.0
121.02980	1.6
123.04536	2.6
124.01656	0.6
125.02480	4.2
127.05601	0.9
131.05026	3.2
132.05470	0.7
133.03008	2.4
135.00911	1.1
135.04578	1.8
137.02464	0.5
143.05038	1.5
145.02963	0.5
145.06624	0.5
147.04593	1.3
149.02470	1.3
149.06111	1.1
149.99648	0.8
151.00406	9.9
151.01559	0.8
151.04016	4.4
152.00832	1.0
153.02011	1.1
155.05042	4.8
157.02977	4.5
158.11067	0.5
159.04489	0.6
161.02484	1.2
161.04590	1.2
163.00388	1.5
163.03902	0.6
164.01112	0.5
165.01970	0.6
165.05589	1.2
171.04529	1.9
173.04805	0.6
173.06047	2.7
174.03230	1.2
175.02513	0.8
175.04034	14.1
176.04469	0.9
177.01955	5.1
178.02605	0.5
178.99892	1.9
179.03444	0.7
187.04016	1.0
189.01996	1.1
189.05630	1.4
190.02766	1.8
191.03525	2.7
191.05695	1.8
193.05092	1.7
198.03233	2.2
198.64793	0.5
199.04025	32.4
200.04384	2.3
201.01950	3.6
201.05678	0.5
203.03534	1.4
204.04272	1.5
207.02959	0.7
211.04001	0.6
214.02686	0.7
215.03467	1.4
217.01494	0.9
217.05078	6.1
219.02963	0.7
227.03438	0.5
231.02971	1.5
232.03781	1.9
233.01031	0.9
233.04562	1.5
239.03476	0.6
241.05159	0.7
242.02197	2.1
243.02985	97.2
244.03290	7.7
255.02942	0.9
259.02505	9.2
260.03085	2.1
261.04028	100.0
262.04407	9.0
269.04745	0.5
271.09784	0.8
273.04129	0.4
285.04001	1.2
301.03564	14.5
302.03790	1.5
303.05124	10.8
304.05347	0.9
304.11853	1.0
325.03519	1.9
343.04712	1.0
355.04474	0.6
357.06149	0.7
373.05438	0.8
375.07211	13.3
376.07541	1.2
393.08527	2.4
417.08267	42.8
418.08548	6.5
435.09366	14.1
436.09583	1.8
477.10550	5.6
477.23547	1.4
478.10565	0.7
492.31808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42993	0.3
59.01387	1.0
59.32365	0.3
60.47884	0.3
61.61533	0.3
61.98834	0.4
63.02402	0.5
63.32811	0.3
63.42250	0.2
65.00340	1.8
68.99843	0.3
69.62131	2.4
83.01372	1.4
85.17378	0.3
89.04014	0.5
91.50790	0.3
94.28668	0.3
98.20621	0.6
102.19827	0.3
107.01392	2.9
107.05046	0.4
109.02970	1.7
125.02464	2.1
127.05531	0.3
131.05035	2.6
133.02937	1.3
135.00893	0.6
143.05052	0.6
147.04587	0.8
149.02458	0.3
149.06105	0.6
151.00407	5.2
151.04047	3.2
152.00735	0.3
155.05034	2.7
157.02988	1.3
171.04550	0.9
173.06087	2.1
174.03290	0.8
175.04031	9.9
176.04369	0.7
177.01968	2.0
178.99870	0.4
187.03983	0.5
189.05684	0.4
191.03499	1.3
193.05029	1.5
198.03281	0.6
199.04022	15.9
200.04396	1.0
201.01936	1.7
215.03532	0.4
217.05052	4.4
218.05437	0.3
219.03047	0.3
231.03040	0.5
233.04623	0.8
234.02434	0.3
243.02983	57.8
244.03331	5.1
259.02472	0.6
261.04031	100.0
262.04379	8.0
283.61057	0.3
301.03506	2.9
303.05148	0.6
357.06079	0.3
417.08350	1.1
435.09189	2.0
436.09085	0.3
477.10635	5.0
477.25375	0.3
478.10663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01378	3.3
63.02398	2.5
65.00321	5.2
68.99806	0.5
71.01371	2.5
75.00869	1.1
81.03487	0.6
83.01382	4.1
84.75587	0.4
85.02953	2.0
85.79285	0.4
93.03463	1.2
94.25955	0.4
95.01447	0.5
99.00851	0.8
107.01399	8.9
107.05032	0.7
108.02207	0.5
109.02965	5.5
113.02448	2.0
115.58055	0.4
119.05032	0.8
121.02969	5.8
125.02453	3.9
131.05099	2.9
133.02972	1.8
135.00891	1.4
137.02452	0.7
139.04037	0.9
143.05028	1.4
147.04500	0.6
149.02414	1.7
149.06110	1.0
151.00386	30.9
151.03995	3.7
152.00777	1.6
152.47531	0.5
153.01941	0.8
155.05040	4.2
157.02971	2.9
163.00366	4.3
163.03934	0.7
167.03467	1.6
167.04846	0.6
169.01511	1.4
171.04556	1.2
173.06125	3.1
174.03207	1.8
175.02524	1.0
175.04008	12.5
176.04282	0.6
177.01952	2.9
178.99878	12.4
180.00117	0.7
183.04475	1.0
187.04001	1.5
188.46884	0.5
189.05490	0.9
190.02707	0.8
191.03496	2.0
192.00650	0.5
193.01372	0.7
193.05042	1.7
198.03230	0.8
199.04012	21.6
200.04337	1.7
201.01945	2.3
201.05544	0.9
203.03479	0.6
211.03978	1.6
212.04849	0.5
213.02019	0.5
214.02664	0.4
215.03607	1.1
217.05060	4.4
218.79938	0.5
219.03036	0.9
227.03505	2.4
229.05066	2.0
231.03014	0.5
232.03709	0.4
233.04486	1.2
239.03410	0.8
242.02199	1.0
243.02968	75.3
244.03307	6.2
245.04601	2.1
255.02977	4.1
256.03409	1.0
257.04352	0.5
259.02408	3.4
259.06409	0.5
260.03012	0.8
261.04010	100.0
262.04349	8.6
271.02567	1.3
273.04007	1.9
283.02509	2.0
285.04077	1.0
300.02731	0.7
301.03534	79.6
302.03882	7.9
303.05084	15.8
303.07883	0.3
304.05386	1.4
314.04633	0.4
375.07224	9.7
376.07513	1.2
417.08261	14.4
417.13754	1.0
418.08600	2.0
435.09351	7.4
436.09399	1.1
477.06601	9.7
477.11163	4.1
477.23480	1.3
478.07245	1.9
484.17737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24891	0.4
57.03415	0.4
59.01348	1.7
65.00323	1.9
70.29317	1.3
76.47681	0.4
83.01392	2.0
86.61964	0.5
88.86759	0.4
89.22318	0.4
95.54938	0.3
107.01381	1.8
107.05051	0.4
109.02963	2.2
111.25359	0.4
120.54337	0.5
125.02448	3.8
131.05045	2.8
133.02942	1.8
135.00871	0.6
143.05063	0.6
145.06647	0.5
147.04509	0.5
149.06020	1.2
151.00388	5.3
151.04019	3.2
153.01958	1.5
155.05057	2.5
157.02960	1.5
161.02467	0.5
170.18874	0.4
171.04439	0.7
173.06084	4.9
174.03258	0.8
175.04030	12.0
176.04385	1.1
177.01962	4.6
187.04050	0.5
189.05548	0.5
190.02740	0.5
191.03461	1.3
193.05096	2.0
198.03261	0.7
199.04025	15.7
200.04268	0.8
201.01875	1.6
203.03477	0.6
209.41003	0.4
215.03510	0.4
217.05075	7.4
219.02992	1.5
231.03111	0.4
232.03822	0.4
233.04596	1.0
242.02278	0.5
243.02980	58.5
244.03342	4.4
256.03769	0.4
257.04520	0.9
259.02432	1.7
260.02975	0.5
261.04031	100.0
262.04358	6.8
283.05963	0.5
285.04083	0.9
299.05408	0.4
301.03552	1.8
303.05103	3.5
308.48004	0.4
327.05118	0.9
357.06091	1.0
375.07245	5.5
376.07281	0.6
417.08319	12.7
418.08820	1.7
435.09344	6.4
436.09781	0.7
477.10504	15.4
478.10867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0673
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
59.01385	0.9
61.93963	0.2
63.02402	1.3
65.00326	2.7
69.78172	1.2
69.78590	0.3
71.01385	2.4
75.00880	0.4
83.01381	1.6
85.02971	1.1
87.00874	0.4
89.02428	0.2
91.24580	0.2
93.03474	0.6
94.70270	0.2
95.01384	0.4
103.00381	0.3
103.80377	0.2
107.01401	4.9
109.02966	3.0
113.02454	2.1
119.01392	0.5
121.02966	4.6
135.00940	0.2
139.04033	0.3
147.00958	0.2
147.04514	0.2
148.01682	0.2
149.02460	0.7
151.00388	18.8
152.00723	0.5
159.04495	0.4
163.00386	2.7
169.01398	0.8
171.04504	0.2
175.02513	1.2
175.03906	0.3
177.67357	0.2
178.99872	8.7
180.00259	0.2
183.04539	0.5
185.06131	0.3
187.04019	0.6
190.99934	0.4
192.00618	0.4
193.01335	0.3
199.03989	0.4
201.05498	0.6
203.03539	0.4
205.05072	0.2
211.03986	1.1
214.02905	0.2
215.03589	0.2
227.03477	1.3
228.04103	0.2
229.05035	1.0
239.03490	0.6
240.04308	0.4
243.03043	0.5
245.04533	2.0
255.02971	2.9
256.03632	0.4
257.04636	0.3
261.03973	0.2
266.02151	0.4
271.02451	0.5
273.03989	1.6
283.02460	1.8
284.95599	0.2
300.02850	0.4
301.03528	100.0
302.00388	0.3
302.03839	5.9
369.25217	0.2
370.10101	0.2
401.39331	0.2
477.06729	19.9
478.07098	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	476.2775
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
57.03429	0.7
59.01366	0.6
59.23963	0.2
60.21943	0.2
60.29613	0.1
68.98136	0.1
68.99802	0.3
70.92819	0.6
71.04990	0.2
71.44063	0.1
73.02867	0.1
75.88422	0.1
78.95477	0.4
78.95915	6.7
81.03407	0.2
83.05032	0.4
85.02959	0.2
85.06574	0.4
87.04508	0.8
95.05012	0.5
97.06615	1.6
98.06929	0.2
99.08186	0.3
101.06108	1.3
102.06407	0.3
107.05041	0.3
109.02927	0.4
109.06611	0.5
111.03811	0.2
111.04533	2.8
111.08152	0.3
113.06070	0.4
121.03094	0.2
123.04497	0.5
125.02455	0.4
125.06094	0.8
126.06416	0.3
126.60099	0.2
139.04028	1.1
139.07632	0.4
140.00394	0.2
140.01231	2.0
140.04343	0.3
141.09235	0.3
151.00377	0.4
151.04013	0.3
151.11284	0.3
152.99591	0.9
153.05606	0.4
163.00359	0.3
163.07642	0.4
165.05542	0.5
171.00661	0.3
177.12790	0.3
179.10791	0.4
181.12332	0.2
191.10818	0.2
193.08636	0.2
195.06657	0.2
196.03810	1.3
196.07356	0.3
197.08041	0.3
197.15405	0.2
203.10736	0.2
207.06581	0.3
208.07367	0.3
209.08247	0.3
209.11876	0.4
212.33585	0.2
214.04852	2.9
219.06612	0.2
221.08313	0.9
221.11778	0.8
223.09679	0.3
223.13342	0.3
233.08220	0.7
235.09772	0.6
247.16939	0.4
253.10828	1.2
254.11189	0.5
261.22180	0.5
263.12848	0.6
265.10794	0.3
265.14398	1.1
266.14838	1.4
275.12982	0.9
277.10696	0.3
277.14407	0.6
279.23291	100.0
280.23645	11.1
289.18042	0.3
289.21649	0.2
290.22052	0.4
293.14029	1.3
294.14316	1.1
301.03546	1.5
309.17105	0.2
322.14056	0.2
323.14429	0.3
324.15787	0.2
333.13235	0.4
333.17081	4.5
333.20932	0.4
351.18240	0.2
352.18555	0.2
363.22049	0.3
365.19772	0.4
391.21576	0.9
392.21875	0.2
429.23141	0.9
445.22504	0.2
459.23877	0.3
476.27759	16.9
477.28348	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	476.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04500	0.2
54.09996	0.3
56.20221	0.3
57.03450	4.8
59.01384	7.2
60.01724	0.4
60.99311	0.3
61.98833	52.8
63.02412	0.4
65.00328	1.1
70.44748	0.6
71.01385	2.5
73.02956	0.6
75.00912	0.3
80.36319	0.3
81.03457	2.1
83.01398	8.1
85.02961	0.8
87.04549	0.5
88.98820	0.6
89.02460	1.2
90.23709	0.3
97.03002	0.9
101.02455	1.0
107.01411	2.2
109.02992	1.0
113.02448	1.3
117.11131	0.3
119.03545	0.4
121.02944	1.5
123.04546	0.4
123.08181	0.4
124.01660	0.4
125.02465	100.0
125.06077	2.3
126.02804	4.0
126.06404	0.3
126.43606	0.3
137.02448	0.5
139.04025	3.0
149.02461	13.3
150.02803	0.9
151.00403	6.4
151.03969	0.6
153.02101	0.3
161.04558	1.3
163.00345	0.6
165.09216	0.6
167.03539	6.1
168.03909	0.3
169.01318	0.4
173.02451	0.8
173.06151	0.4
175.02591	0.5
175.04092	0.9
178.99931	1.8
179.03452	1.4
179.05650	0.4
181.04971	0.3
191.03436	0.6
193.01480	0.3
199.04045	1.7
207.10201	0.3
217.05147	0.4
227.03485	0.3
233.08224	0.9
243.02995	4.4
245.04631	0.6
251.09248	10.8
252.09630	1.0
255.02919	0.8
259.02509	0.5
261.04041	6.6
273.04041	0.5
275.09238	3.5
287.07693	3.8
288.08075	0.3
293.10403	1.2
300.02304	0.3
301.03537	14.1
303.05176	0.5
322.14871	0.3
331.19196	0.4
353.12347	0.6
375.07132	0.8
407.20847	1.0
413.14551	51.3
414.14905	7.1
415.23477	1.1
416.23755	1.1
417.08301	1.3
417.24796	0.7
435.09384	0.9
477.06131	2.1
477.24823	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	475.3067
Annotation	Polyporusterone C
Peak:m/z	Relative Intensity
57.03450	2.8
68.53488	0.2
68.99820	1.6
69.88836	1.0
69.89268	0.6
70.87211	0.2
71.04992	0.8
79.01884	0.5
95.05013	0.2
97.06561	1.0
98.20750	0.2
99.08167	3.1
101.06066	1.1
107.05026	0.3
109.02930	0.4
109.06568	0.4
111.04466	0.5
121.06574	0.5
123.04569	1.7
123.08176	0.4
125.02510	0.2
125.06100	14.4
125.09694	0.6
126.06453	0.5
127.07669	2.5
135.08162	0.5
137.06050	0.3
137.09756	1.8
137.47726	0.2
138.03200	0.4
139.03995	0.8
139.11295	0.4
149.02399	0.3
149.09744	0.3
151.04025	5.0
151.07657	0.6
152.04488	0.3
163.11324	0.4
165.05588	1.6
165.12825	0.4
166.02699	0.7
177.01877	0.6
177.12823	0.3
179.03493	1.1
179.10794	0.6
180.04294	1.3
191.10754	0.9
193.08705	0.4
193.12372	0.4
195.13953	0.3
203.10837	0.6
205.12332	2.1
207.06642	0.3
207.10255	1.9
209.08202	0.6
209.11844	0.3
210.08698	0.3
217.08736	1.4
219.06659	0.4
221.08206	5.2
221.11723	0.4
221.15436	0.4
222.08978	4.0
223.09708	1.9
223.17036	1.0
225.11383	0.3
231.10231	0.7
231.13857	0.6
235.09767	57.7
236.10297	8.5
237.11015	0.4
245.15363	0.3
247.09804	0.3
247.13336	0.5
247.17139	0.3
249.11317	17.0
249.18393	1.2
250.11787	1.3
253.10974	0.3
261.18466	1.2
263.12912	0.3
265.14410	1.7
268.09564	0.2
269.50671	0.3
275.12973	0.3
277.10776	0.5
289.18033	0.3
291.16031	0.3
293.14011	0.5
301.21664	0.7
303.15985	0.8
303.19556	0.5
305.17572	4.1
306.18152	0.9
307.19086	0.7
315.16019	1.5
316.16486	0.3
319.19174	2.2
322.14410	0.6
331.22937	0.4
332.23309	0.3
333.17099	11.1
334.17535	1.6
336.19516	0.6
345.20764	0.6
346.17682	0.3
347.18686	0.4
349.16617	0.4
349.20331	1.8
351.18027	0.6
357.20779	0.9
363.21893	0.9
373.20322	1.1
375.21835	9.1
376.22409	4.2
377.22958	0.3
389.19659	2.8
390.20151	0.3
401.23108	0.4
405.22906	0.7
406.23605	3.9
406.28403	0.3
407.24130	1.1
431.32114	1.3
443.24234	1.2
475.30841	100.0
476.31262	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	1.0
62.71140	0.5
68.99766	1.8
69.39047	6.4
71.05019	0.7
89.56564	0.6
94.24218	0.6
97.06568	1.2
99.08084	0.6
107.05025	1.0
109.06569	0.7
113.60786	0.6
123.04475	1.1
125.02423	1.1
125.06100	14.0
127.07635	2.9
128.40642	0.6
137.09705	1.5
137.44287	0.7
138.03212	1.3
139.03961	2.4
151.04015	6.4
165.05566	0.9
166.02667	0.9
177.01904	1.4
180.04242	0.8
196.07419	1.0
205.12358	1.0
207.06583	0.7
207.10292	2.1
217.08727	2.4
219.06436	0.8
221.08202	5.5
222.08977	3.5
223.09750	1.9
235.09761	78.6
236.10222	7.6
247.09793	0.9
247.13376	1.4
249.11324	10.9
249.18552	1.0
250.11603	0.9
265.14386	3.3
289.18124	0.8
293.13934	3.3
297.75314	0.6
301.21793	1.2
303.16122	1.5
305.17737	1.1
315.16113	1.0
322.13992	1.2
333.17145	6.4
334.17545	0.8
351.18088	1.4
373.19861	0.6
375.21832	8.6
376.22589	2.6
389.19913	2.3
405.22745	0.7
406.23648	1.9
427.41501	0.7
431.31659	1.1
443.24417	1.4
475.30911	100.0
476.31183	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38644	0.3
69.70921	1.7
69.71349	0.4
71.05016	0.3
79.01892	0.5
107.05038	0.6
114.90705	0.3
123.04545	1.9
125.06100	4.5
125.09785	0.6
131.05597	0.2
137.09743	0.8
138.03256	0.3
151.04027	6.9
165.05571	0.4
166.02728	0.6
176.63188	0.3
177.01889	1.3
178.02806	0.4
179.03532	1.3
179.10921	0.4
180.04300	1.2
191.10875	0.4
207.10298	1.8
217.08702	3.4
218.09081	0.4
221.08211	5.6
222.09009	1.9
223.09726	1.7
231.10329	0.3
235.09756	91.1
236.10252	11.1
237.10814	0.6
247.09810	0.4
249.11327	3.6
249.18657	0.6
250.11684	0.3
291.16013	0.3
301.21640	1.2
302.54639	0.3
305.17554	0.4
333.17029	3.6
334.17407	0.5
363.86511	0.3
375.21783	11.8
376.22229	2.7
405.22916	0.5
406.23660	1.6
407.24277	0.4
431.31827	1.3
443.27756	0.3
461.78012	0.3
475.30646	100.0
476.31000	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	475.2705
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
51.48898	1.4
55.01843	1.6
57.03423	5.2
59.01376	22.1
61.98813	1.9
68.99824	22.3
71.04967	1.5
71.20395	1.9
71.20717	2.7
78.95869	1.5
97.06606	10.9
99.04509	1.7
99.08136	2.6
101.06091	12.8
103.92027	1.8
109.06591	2.3
111.04504	2.1
123.08151	2.9
125.02387	6.7
125.06104	96.7
126.06369	5.0
127.06837	2.3
127.07677	37.4
129.05573	1.8
130.94324	1.8
135.04463	2.3
137.09756	9.7
137.35922	1.6
139.04039	23.0
139.05019	3.4
140.44730	1.5
141.09149	1.6
151.03938	4.7
153.05623	7.1
163.07597	1.5
165.05519	1.9
165.09157	1.6
165.12744	1.8
167.54041	1.6
174.99158	2.3
179.03377	2.4
180.04231	3.9
181.08746	1.8
191.10716	2.2
193.08643	3.7
196.07458	8.9
200.06821	4.3
201.09142	1.5
205.12355	1.9
207.10179	4.6
209.11688	2.7
217.00288	19.0
219.00536	3.2
219.06535	3.6
219.97716	1.8
223.09615	3.0
233.08032	2.9
233.11626	1.8
235.09772	38.0
236.10332	10.2
247.09613	4.1
247.13214	6.7
248.10371	1.9
249.11221	4.1
253.10802	3.5
259.16925	1.9
261.18582	1.7
265.14444	48.5
266.14612	5.5
275.12662	2.2
279.16119	1.6
293.13916	39.8
294.14267	3.1
299.01819	2.1
303.15787	10.1
303.19189	3.3
304.16516	3.1
305.17410	6.3
317.17474	2.6
322.14255	15.7
333.16855	4.2
333.20587	2.0
345.20618	3.9
349.16284	2.6
349.20175	3.2
351.18143	13.2
352.18393	2.6
368.93118	2.1
375.21515	1.8
389.19788	20.5
390.20108	2.1
401.23135	3.1
443.23819	5.3
457.25381	3.2
458.26221	2.3
475.26645	100.0
476.26947	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	475.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.8
57.95758	0.5
59.61239	0.4
63.12843	0.5
69.91298	0.5
69.93393	1.9
69.93806	1.0
71.01414	0.4
74.23642	0.5
74.74084	0.4
79.05547	0.7
95.05046	0.6
97.06602	15.1
98.06982	0.5
99.08167	7.2
101.06113	1.0
109.06562	0.6
114.71281	0.4
121.06626	1.0
123.04491	1.1
123.08170	1.2
125.06102	15.6
125.09739	14.2
126.10083	0.7
135.08195	0.6
137.09705	2.3
153.09250	2.6
153.10329	0.5
163.11290	1.7
177.12878	0.9
180.04276	1.2
191.10794	1.0
193.12398	0.5
205.12361	4.2
205.15886	2.2
207.10274	4.6
207.22884	0.5
215.14488	0.6
217.16017	0.9
219.06683	0.5
219.13913	1.0
233.11821	0.7
235.09750	4.2
236.10547	1.7
247.09773	1.0
249.11339	1.4
261.11334	0.6
269.19229	0.6
270.16156	0.7
271.16827	1.1
273.18594	2.4
275.17065	0.7
275.20093	4.5
276.20297	0.6
277.14267	0.5
282.18121	0.4
293.13959	4.8
315.19684	1.4
317.17477	1.5
319.19177	1.2
341.21246	4.6
342.21277	0.7
343.15698	0.7
357.24344	8.4
358.24704	1.1
359.18533	0.5
375.21729	5.6
376.21960	0.6
385.20258	1.6
399.25446	7.0
400.25708	1.4
443.24377	100.0
444.24747	18.2
457.25815	2.8
458.26794	0.5
475.27005	65.4
476.27350	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	475.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21284	8.1
60.35067	8.3
64.79205	8.0
68.99813	21.0
71.05071	9.7
71.72366	10.1
71.72720	10.3
97.06568	10.2
125.06106	100.0
127.07677	21.0
134.13013	8.4
134.33203	8.3
139.04018	27.9
141.02885	7.5
144.59996	7.6
163.04240	8.4
188.31152	10.3
196.07356	8.9
211.13544	9.8
218.84081	9.1
235.09677	40.6
265.14355	51.0
269.62567	8.6
293.13901	40.2
303.15857	16.7
322.14166	11.0
351.18048	16.2
371.29840	9.3
389.19589	22.2
422.30203	9.6
443.24515	25.0
453.72299	11.2
475.26407	89.2
476.27325	19.1
485.59158	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	475.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10703	0.3
57.03450	6.3
59.01392	0.5
68.99821	1.2
69.03456	1.1
69.55196	1.0
69.55624	1.9
71.01385	0.4
71.05029	1.4
83.01411	0.5
83.05035	1.5
85.02965	8.8
85.06609	0.5
91.90702	0.3
93.03447	0.7
95.01402	0.5
95.05034	0.7
97.02961	0.9
97.06621	0.7
98.03784	0.4
98.05714	0.3
99.08175	5.8
101.06079	1.8
107.05075	0.4
109.02966	0.7
109.06583	0.5
111.00900	0.6
111.04549	2.3
123.00876	1.1
123.04541	0.7
123.08178	0.4
124.01705	0.4
125.02487	0.5
125.06107	23.7
125.09740	2.1
126.06406	1.0
127.07663	2.9
133.06625	0.5
135.08192	0.5
136.05367	0.5
137.02390	0.7
137.09749	0.7
138.03244	0.4
139.04024	0.8
141.09201	0.3
147.08170	0.5
149.09727	0.6
151.04002	1.5
151.07678	1.2
151.11336	0.7
153.05554	0.5
153.09215	1.0
157.06706	0.4
163.11324	1.1
165.01950	3.8
165.05611	0.8
166.02635	0.4
169.08746	5.4
173.09741	1.8
177.05682	0.4
177.09229	2.7
179.03615	0.4
179.07135	0.5
179.10800	0.8
180.04376	0.4
180.07925	1.0
185.09723	0.6
191.10797	1.2
193.08711	0.6
193.12360	0.4
195.06625	4.3
195.10359	0.4
201.12877	1.4
203.10866	0.5
205.08847	1.6
205.12299	0.8
206.09587	0.5
207.06627	1.1
207.10249	1.3
208.07425	4.5
209.08130	0.9
212.05089	0.4
212.06863	2.0
217.08815	0.6
217.12321	1.0
219.10220	0.6
219.14220	0.4
220.10921	0.4
221.08203	3.0
221.15489	0.4
222.08861	1.4
223.09705	1.2
223.17055	0.5
233.15601	0.6
235.09773	15.5
236.10353	2.4
243.13820	1.1
245.11758	0.4
247.13451	0.7
249.11353	4.7
256.14813	0.6
257.15469	2.1
259.13293	0.6
261.14941	2.5
263.12885	4.2
264.03223	0.4
264.13058	0.5
265.14444	0.8
269.15503	0.8
274.15781	0.9
285.18649	1.2
293.14069	0.4
301.21600	0.5
303.15964	0.9
303.19568	0.7
305.14197	0.7
305.17484	1.4
307.19092	0.4
309.18637	0.5
312.16995	0.4
319.19037	1.1
327.19672	4.3
328.19971	0.6
329.17767	0.5
333.16971	2.8
345.20743	16.0
346.21118	3.2
347.18652	100.0
348.19006	13.7
349.20102	0.5
351.17999	0.4
361.20233	0.7
363.22238	0.4
373.20026	0.9
375.21744	2.4
376.22174	1.0
389.19711	14.7
390.20300	5.4
391.20892	0.8
406.23538	1.4
431.27780	2.1
432.28226	0.6
443.24274	1.1
475.31396	24.4
476.31790	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	475.2701
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
57.03452	5.5
68.99825	14.1
70.00669	3.9
70.01085	2.3
70.94463	1.0
71.05043	0.9
81.03490	1.4
85.06608	1.0
97.06602	7.4
99.08188	2.5
101.06097	6.8
109.02921	1.2
109.06619	3.4
111.04542	2.2
123.04538	1.4
125.02473	5.4
125.06108	100.0
126.06461	4.0
127.07672	17.4
129.05612	1.5
137.09740	4.4
139.04042	8.1
150.03256	1.4
151.04024	3.6
152.04709	1.1
153.05624	1.9
153.09213	1.0
163.49551	0.9
165.05646	1.8
179.03473	1.6
179.10622	1.4
180.04178	1.4
181.08783	1.4
185.91385	1.0
193.08720	3.4
196.07365	4.0
200.07011	1.0
202.67758	0.9
205.08656	1.6
205.15779	0.9
206.09431	0.9
207.10182	1.8
209.11803	2.1
219.06696	5.3
219.10321	1.2
221.11926	0.9
221.15358	2.3
233.08249	1.9
233.11862	2.1
234.08961	2.3
235.09731	12.4
236.10477	2.3
247.09747	3.6
247.13394	2.4
253.10724	1.2
259.17145	1.7
261.11682	1.0
263.12720	2.2
265.14426	22.1
266.14835	2.9
275.12933	2.5
275.16321	1.5
276.13538	1.0
277.11020	2.7
289.14832	1.2
289.21683	2.8
293.13928	14.5
294.14334	1.5
303.16019	7.8
303.19623	3.3
304.16452	1.8
317.17297	1.5
322.14276	4.0
325.61313	1.1
333.16949	1.3
345.20648	2.6
347.18622	1.8
351.18137	8.8
359.14755	1.0
366.17542	1.1
389.19705	15.5
390.19897	2.5
401.23236	3.0
406.20053	1.6
415.25031	1.8
443.24231	4.2
457.26105	1.3
475.26993	95.5
476.27377	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	475.27
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
57.03444	3.8
68.99822	10.3
69.62956	4.9
69.63302	0.9
78.02193	0.7
99.08170	1.8
101.06093	1.1
109.06615	2.4
123.04502	0.8
125.06104	74.3
126.06423	2.8
127.07674	29.7
128.07994	1.1
137.09724	4.1
163.07803	0.5
165.05551	0.9
175.61513	0.6
179.07268	0.8
179.10703	0.6
180.04292	0.8
193.08682	2.2
205.12292	0.6
206.09334	0.8
207.10271	2.1
208.32602	0.5
209.08199	1.9
209.11839	0.6
212.06894	0.8
217.12302	0.5
219.06660	2.0
219.10254	0.8
219.14043	0.6
221.08202	0.8
221.11917	0.6
222.09088	0.7
233.08205	0.7
233.11890	0.9
234.08913	1.4
235.09773	13.0
236.10464	3.0
247.09671	2.1
247.13370	6.4
248.13873	1.1
249.11322	1.5
249.14981	1.2
259.17096	1.5
261.11298	1.0
261.15021	1.4
263.12881	3.6
267.54739	0.6
275.12839	1.1
275.16556	1.6
276.17209	0.8
277.10913	4.1
278.11374	1.1
287.16495	0.6
289.14413	0.7
289.17868	0.6
291.12552	0.6
291.16016	1.3
303.16049	11.2
303.19669	5.5
304.16568	2.3
305.14084	0.7
305.17606	0.9
315.16153	0.7
317.17529	1.9
327.19672	0.6
331.15558	1.1
333.17007	4.4
334.17795	1.7
335.18542	1.2
342.21490	0.6
345.16904	1.2
345.20749	5.3
346.17834	2.5
347.18692	0.9
357.24463	0.8
361.20010	1.0
373.20261	0.9
389.19717	45.7
390.20123	6.1
401.23407	6.2
402.23441	1.0
415.25577	3.9
443.24326	10.0
444.24887	2.1
457.25983	3.8
458.26605	2.7
475.27026	100.0
476.27420	16.0
490.25751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03442	5.4
59.01390	0.9
68.95892	0.7
68.99802	0.9
69.44022	2.6
69.44451	4.3
71.05020	2.3
71.84731	0.6
79.41179	0.6
81.03464	4.3
85.02948	1.3
85.06596	1.2
95.05029	2.4
97.06605	43.7
98.06912	2.2
99.08154	1.6
101.06097	18.5
102.06451	0.6
111.08118	1.0
113.06087	2.9
115.07673	2.1
125.02459	4.9
125.06086	4.8
127.00332	0.8
127.07643	1.4
129.05573	2.0
135.08131	1.0
137.02542	0.9
137.09796	1.0
139.04033	39.0
139.11238	0.8
140.04381	1.9
141.09244	1.7
147.08151	0.8
151.11331	2.0
153.05597	9.6
155.10806	0.9
163.11305	1.5
168.04272	1.1
168.07927	1.2
181.05016	1.3
181.12308	0.9
191.10854	3.3
196.07420	14.0
197.07826	1.0
199.93167	0.7
200.06956	6.1
209.11794	5.3
219.17542	1.2
219.81346	0.8
221.15465	1.4
235.09779	2.5
236.10468	0.8
239.16576	0.8
253.10802	13.4
254.11102	1.3
261.56476	0.6
265.14435	100.0
266.14755	9.2
267.12228	1.3
275.12888	1.9
277.14471	1.0
289.21701	8.6
290.22144	1.4
293.13940	53.7
294.14325	6.1
304.13065	1.0
322.14224	9.8
323.14560	1.5
333.20648	4.1
334.21127	1.2
351.18115	16.6
352.18430	0.9
363.21774	8.4
373.19940	0.7
378.20499	2.0
389.19681	1.3
391.21188	2.2
404.66614	0.7
406.19894	1.4
431.28165	0.8
443.24243	1.1
447.27344	2.5
475.27042	27.0
476.27261	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	475.2702
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
57.03441	3.0
65.12241	0.8
67.63030	0.7
68.99824	19.4
69.45488	0.6
69.60136	2.5
69.60597	3.9
69.60934	0.8
71.05035	0.9
83.05036	1.9
85.06580	0.8
97.06047	0.8
97.06620	1.2
99.08186	2.3
101.06098	2.9
107.05070	0.9
109.03027	1.1
109.06579	0.9
119.76776	0.8
121.06580	1.2
123.04523	1.9
123.08273	0.8
125.06104	97.8
126.06480	5.3
127.07671	45.4
127.08645	1.5
128.07986	2.3
135.08150	1.3
137.02524	1.1
137.06123	1.2
137.09731	7.7
139.07710	0.9
151.04010	1.9
152.04822	0.9
153.05577	1.5
165.05574	1.0
177.01964	1.6
179.03513	1.7
179.07153	2.6
180.04298	3.4
181.08745	1.3
191.10847	1.6
193.08783	5.4
195.10422	0.8
205.12288	1.4
206.09357	1.2
207.06769	1.0
207.10275	4.2
208.07529	0.7
209.08221	2.3
209.11832	0.9
214.04910	0.8
217.08638	1.0
219.06654	4.4
219.10262	0.7
220.07036	0.9
221.08206	3.0
221.11766	1.3
222.08940	1.3
223.09702	1.1
226.08493	1.7
231.14088	0.7
233.08243	2.9
233.11745	1.9
234.08961	1.8
235.09760	25.3
236.10451	7.9
237.11073	1.1
245.15318	0.8
247.09784	3.1
247.13353	9.9
248.13934	1.5
249.11237	1.7
249.14964	1.1
259.17029	2.8
261.11356	1.4
261.14963	2.2
263.12811	1.1
265.14676	1.0
273.18399	0.8
275.13129	0.8
275.16504	2.2
276.17154	1.3
277.10754	1.6
277.17801	0.9
289.14728	1.6
289.18143	1.2
293.13950	0.9
303.12582	1.6
303.16037	16.4
303.19455	1.3
304.16675	6.0
305.14175	0.9
305.17569	9.9
306.17868	1.4
317.17633	4.8
331.15610	1.2
331.19110	1.1
333.17120	1.7
334.18137	0.8
335.18683	2.6
345.20746	4.6
346.21268	1.0
347.18546	0.8
351.17917	0.8
359.14761	0.7
359.18677	0.8
361.20111	1.1
373.20294	1.2
375.21872	1.6
389.19678	14.7
390.20053	3.6
401.23416	1.7
415.25287	1.5
429.26358	1.6
443.24435	12.8
444.24762	2.3
457.25995	5.9
458.26736	4.1
475.27032	100.0
476.27310	20.3
490.25912	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	475.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88121	0.3
57.03451	2.1
71.05024	0.3
71.06480	0.3
71.61732	0.5
93.07065	0.3
97.06598	7.3
99.08173	3.4
101.06049	0.6
109.06602	0.8
121.06594	0.6
123.04517	0.4
123.08157	0.6
125.06099	10.7
125.08922	0.5
125.09734	6.9
126.06452	0.4
126.10042	0.5
137.09708	1.5
153.09180	0.9
163.11290	1.3
166.69003	0.3
180.04272	0.4
187.11172	0.3
196.49150	0.3
205.12337	2.9
205.15924	1.1
207.10257	4.0
217.15767	0.4
219.13840	0.6
235.09755	2.0
236.10303	0.9
247.09512	0.3
249.11179	0.5
261.11124	0.4
261.14877	0.4
270.16043	0.4
273.18518	1.1
275.17010	0.6
275.20053	3.4
293.13910	1.1
302.19092	0.4
315.19434	0.5
317.17490	1.2
319.19162	0.9
341.21216	2.5
342.21320	0.5
343.15482	1.6
352.14999	0.4
357.24362	5.9
358.24622	1.0
375.21756	4.9
375.96109	0.3
376.22061	0.8
383.21954	0.6
385.20526	0.4
399.25494	4.9
400.25912	0.7
443.24362	100.0
444.24695	18.2
457.25925	1.4
475.26990	60.0
476.27393	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	475.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68693	0.7
57.03447	2.4
68.12479	0.9
68.99461	1.4
68.99821	24.2
69.59750	3.3
69.60176	3.0
83.04996	0.9
85.06570	0.9
90.57546	0.6
91.20400	0.7
97.06602	4.2
98.19755	1.0
99.08189	1.1
101.06104	5.3
109.02972	1.6
114.69999	0.7
121.06639	1.1
125.02453	2.8
125.06100	92.3
126.06425	4.0
127.07666	53.9
128.08015	1.6
137.09749	8.9
138.03159	0.9
139.04022	9.0
149.09656	0.8
149.65237	0.7
151.03995	1.4
153.05591	2.8
178.02730	0.7
179.03558	1.4
179.07121	1.7
179.10878	0.8
180.04256	4.2
181.08694	1.3
189.12920	1.1
191.10805	1.0
193.08694	5.1
193.12363	0.7
195.10306	1.0
196.07446	5.6
197.07776	0.8
200.06921	2.5
203.11006	0.9
205.12306	2.4
207.10283	3.1
208.07391	0.9
209.08238	1.5
210.35997	0.8
212.06866	1.4
219.06686	3.4
219.10370	0.8
221.08170	2.1
221.11914	1.5
221.15497	1.0
222.08926	0.8
226.08467	2.0
226.97264	0.8
233.08240	1.3
233.11774	1.4
235.09760	22.0
236.10475	10.4
237.10999	1.4
237.32228	1.0
247.09653	1.8
247.13367	10.2
248.13864	1.3
249.11259	2.0
253.10757	1.2
259.16968	3.5
259.26636	0.8
261.14929	2.8
261.18561	0.8
263.12759	1.8
265.14432	36.3
266.14816	3.4
273.18384	1.1
275.12958	1.7
275.16437	2.7
276.13678	1.0
276.17285	2.6
277.14484	1.4
289.14612	1.2
289.18094	1.2
290.18698	0.8
293.10699	1.4
293.13940	21.1
294.14334	1.8
303.16055	18.2
303.19501	1.4
304.16568	4.7
305.14249	1.5
305.17548	13.7
306.17966	1.2
306.26178	0.8
317.14270	0.9
317.17490	4.5
318.18146	1.1
322.14270	5.9
331.15338	1.0
333.17023	2.7
335.18707	1.6
345.20673	5.6
347.18423	0.9
351.02518	0.7
351.14038	0.8
351.18140	14.2
352.18454	1.6
375.18353	1.2
389.19699	19.8
390.19952	3.4
401.23343	1.8
406.20258	0.8
415.25009	2.2
443.24316	8.1
444.24884	1.1
445.26151	0.9
457.26163	2.8
458.26559	2.6
475.26996	100.0
476.27298	20.1
490.25763	2.0
491.26089	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.1
57.03443	5.4
68.99821	17.6
69.03479	0.9
69.94689	4.3
71.05042	1.3
77.66507	0.6
81.03468	1.9
85.02979	1.7
85.06609	2.0
87.04539	2.0
97.02938	0.8
97.06606	23.4
99.08169	2.2
101.06097	20.9
102.06424	1.4
109.02945	1.1
109.06624	2.8
111.04545	1.3
111.08154	1.2
113.06110	2.2
115.07674	3.0
123.04512	1.3
123.08183	1.4
125.06105	100.0
126.06464	4.2
127.06795	1.5
127.07680	22.6
127.08636	1.2
128.07999	1.0
129.05626	1.6
133.06715	0.8
137.02477	2.5
137.09743	6.6
138.03282	0.9
139.04033	44.8
140.04369	1.6
141.09230	1.4
150.03314	0.8
151.04025	1.6
151.11301	3.0
153.05612	10.4
153.09167	0.8
165.05527	2.4
165.12880	3.2
167.07161	1.1
168.04323	0.7
168.07909	1.5
175.04158	0.8
175.11290	0.7
177.02023	1.1
177.09319	1.5
178.02791	0.8
179.07140	1.7
181.08766	1.3
191.10838	1.1
193.08672	4.3
196.07449	18.3
197.07895	1.3
200.06921	6.9
203.07109	0.9
203.14491	1.0
205.05225	0.9
205.08733	0.9
205.12363	0.7
206.09459	1.2
207.10239	2.2
209.11806	4.2
212.06967	1.1
217.08788	0.8
219.06589	4.3
219.10248	2.7
219.17456	0.9
221.08159	2.2
221.11723	1.0
221.15523	1.7
233.08195	1.5
233.11774	1.5
234.08934	2.0
235.09782	12.0
236.10376	2.1
237.11295	1.2
239.16501	0.9
247.09779	2.2
247.13364	2.0
249.11328	2.4
253.10770	7.7
259.16959	2.3
261.11310	1.3
261.14902	0.8
262.08575	0.9
263.12906	2.6
265.14441	79.1
266.14746	7.6
275.12900	5.9
275.16141	1.4
276.13593	1.0
277.10846	3.0
287.12881	0.8
287.39807	0.7
289.14871	3.5
289.18326	1.1
289.21741	20.2
290.22110	2.7
291.12411	1.8
291.15787	1.4
293.13937	40.8
294.14249	4.5
303.12643	1.3
303.16034	11.0
303.19650	3.4
304.16577	1.8
305.13904	1.3
305.17636	0.8
305.21310	0.7
317.10388	0.7
317.17670	2.3
322.14261	9.6
333.17120	2.5
345.17416	3.8
345.20364	3.3
346.17499	1.1
347.22205	0.8
351.18112	18.2
352.18451	1.9
357.24655	1.1
372.31793	0.8
373.20410	2.2
387.21985	1.0
389.15582	0.6
389.19760	16.1
389.24841	0.9
390.20078	2.1
401.23322	11.3
402.23724	1.5
406.19998	1.4
415.24939	3.0
441.26044	0.9
443.24521	4.5
457.26016	1.7
458.26782	0.9
475.27026	51.2
476.27478	9.9
490.25641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01429	1.2
55.01876	2.9
57.03438	6.8
65.14395	1.5
68.99831	10.5
69.70388	10.7
69.70771	1.9
70.74760	1.3
75.14681	1.5
76.70202	1.4
76.94579	1.2
79.01892	1.5
81.03416	1.4
85.02948	4.8
85.06590	4.1
95.05036	2.1
97.06603	31.7
99.08192	1.6
101.06097	22.9
109.06600	6.0
113.06086	4.4
115.07626	4.1
122.69606	1.4
123.04506	1.5
123.08218	1.4
124.47443	1.4
125.02463	75.7
125.06106	71.0
126.02808	2.2
126.06422	3.0
127.00378	2.8
127.07676	17.2
129.05579	6.1
137.02455	2.6
137.09717	5.7
137.18608	1.4
139.04036	9.2
141.09271	2.6
151.04060	2.8
151.11307	5.5
153.01884	1.3
153.05534	2.2
155.10832	1.8
155.85464	1.3
163.11235	1.5
165.12962	3.7
178.02745	1.5
179.03555	2.3
179.39133	1.4
193.08684	2.6
196.07445	26.7
197.07835	3.4
200.06822	9.5
206.09366	1.6
207.10356	2.9
209.11812	9.2
213.41931	1.4
219.06677	3.1
219.10251	1.6
219.17578	2.8
221.15465	3.3
233.11803	1.7
235.09750	8.9
236.10295	1.8
239.16432	2.3
247.09917	1.5
247.13312	1.5
253.10793	10.5
254.11050	1.7
259.17218	2.0
261.14874	1.3
262.08328	1.4
263.12683	1.5
265.14438	100.0
266.14780	9.7
275.12888	4.7
275.16373	1.6
275.20111	1.9
277.14224	2.2
285.18604	1.6
289.21707	26.5
290.22049	3.3
293.13971	45.5
294.14355	5.9
303.15973	6.2
303.19339	3.0
317.17551	2.0
322.14197	17.8
323.14752	2.7
345.20703	4.3
351.18118	27.5
352.18521	3.8
363.21497	1.8
373.19873	1.8
389.19739	12.5
390.19855	1.7
391.21216	2.3
401.23660	1.8
443.24393	9.1
475.27008	27.5
476.27316	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	475.2699
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
55.01872	0.5
57.03442	0.3
59.57492	0.2
64.34440	0.3
69.56691	2.0
70.77386	0.2
71.05041	0.3
78.88267	0.2
97.21347	0.2
101.06100	3.1
102.57877	0.2
106.32413	0.3
109.02931	0.3
111.00900	0.3
112.01761	0.2
113.02429	0.3
123.04551	0.3
124.01672	0.4
125.02438	1.3
137.02435	0.9
138.03217	1.0
139.00433	0.4
139.04031	2.4
140.01108	0.3
140.16704	0.3
144.00601	0.3
151.04045	1.5
153.01949	4.4
153.05574	0.7
154.02565	0.3
161.56184	0.2
163.04030	0.4
166.02733	2.2
167.03500	4.1
168.04305	13.4
169.04672	0.4
177.05586	0.2
179.03484	1.2
181.05072	4.6
206.06058	0.2
207.06500	0.3
209.04553	7.2
210.05054	0.8
211.06209	0.4
217.08443	0.2
235.09766	0.9
251.12827	0.5
261.14972	0.4
263.09204	2.1
264.09958	1.7
265.10742	0.5
275.12833	0.5
277.14444	5.0
278.14667	0.3
279.12366	1.7
287.12949	0.2
291.73621	0.2
293.13889	5.2
294.14417	0.4
303.12381	2.5
304.13019	0.9
305.13931	0.7
307.11841	0.8
321.13419	5.8
322.14206	91.8
323.14557	10.3
359.75433	0.2
373.20395	0.2
391.21216	2.1
392.21521	0.3
392.51031	0.3
406.19989	2.3
475.26999	100.0
476.27347	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	475.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03444	4.1
68.99821	13.7
69.66560	3.1
69.66991	2.8
71.05013	1.2
81.03472	1.1
83.05020	0.8
85.02979	1.5
85.06629	1.2
97.06606	17.3
99.08173	1.2
101.06098	16.2
109.02961	1.1
109.06622	1.6
113.06117	1.9
115.07681	1.1
121.06583	0.8
123.04516	1.6
123.08171	1.2
124.01695	0.9
125.02448	4.2
125.06103	52.2
126.06441	2.1
127.00386	0.9
127.07669	21.0
128.08012	0.8
129.05576	1.6
137.02469	1.0
137.09756	5.4
138.03250	1.1
139.04037	38.1
140.04404	1.2
151.04016	1.5
151.11343	1.4
153.05595	10.4
165.09279	0.8
165.12930	1.0
167.03511	0.8
168.04210	1.5
168.07982	1.1
172.69077	0.9
177.01939	0.9
179.03493	0.8
179.07143	1.2
180.04279	2.1
181.08644	0.8
191.10789	1.9
193.08693	1.9
193.10387	0.8
193.12209	0.8
196.07445	19.7
197.07840	1.5
200.06912	10.8
205.12270	1.0
207.10130	1.2
209.08195	1.2
209.11858	3.2
219.06622	1.8
219.13950	0.9
219.17499	1.1
221.08128	1.6
221.11864	1.3
221.15465	1.2
233.11969	0.8
234.08871	0.7
235.09760	13.1
236.10509	4.6
247.09908	1.2
247.13443	3.4
249.11272	1.3
253.10764	6.9
254.11169	0.9
259.17096	1.0
265.14438	100.0
266.14783	8.8
267.12439	1.0
275.12903	2.4
275.16562	1.3
276.13589	0.8
277.14371	1.3
289.18909	1.0
289.21756	5.2
293.13953	71.3
294.14291	7.2
303.16010	4.9
303.19247	1.3
304.13336	1.1
304.16495	1.0
305.17508	3.0
317.17715	2.0
321.13422	1.6
322.14203	15.8
322.17944	1.1
323.14694	1.7
333.17145	1.0
333.20758	2.2
335.18726	0.9
345.20840	2.1
351.18146	23.3
352.18448	3.2
363.21957	1.1
375.01553	0.8
375.17926	1.0
378.20337	1.5
389.19608	5.9
390.20322	0.9
391.21381	2.2
406.20007	2.8
443.24307	2.9
457.25821	1.3
475.27020	38.9
476.27264	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	475.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88985	1.8
57.03447	39.1
57.87172	1.8
68.99817	11.9
69.03468	2.2
69.88921	8.6
69.89332	3.9
71.05025	51.4
72.05377	2.1
83.05030	7.8
85.02963	6.3
87.04513	2.0
93.07083	2.0
95.05030	3.0
97.02999	2.6
97.06605	5.9
98.19952	3.0
99.08175	99.4
100.08492	5.1
101.06093	39.9
107.05043	4.0
109.02962	8.8
109.06606	2.9
111.04539	3.1
111.08177	5.4
113.06099	2.0
121.06612	4.0
123.04535	5.2
123.08174	4.1
125.06108	82.9
127.07677	18.0
135.08170	7.1
137.02437	2.7
137.06133	11.5
137.09734	13.1
138.97560	1.8
139.04030	5.1
139.07661	4.5
139.11316	7.9
141.09270	3.4
151.04034	3.2
153.05614	2.3
153.09259	3.8
157.73088	1.8
163.11320	3.2
165.09196	3.4
165.12857	6.4
167.10849	2.1
179.10883	2.8
180.04301	3.8
181.12440	5.4
191.10876	3.6
193.08659	5.2
193.16035	2.4
195.10207	6.3
196.07410	4.1
203.10817	1.8
205.12338	7.9
207.10303	22.9
209.11856	23.4
210.12271	2.1
221.08305	2.4
221.11818	3.5
221.15477	19.1
222.09087	2.6
223.13457	4.4
223.17046	55.4
224.17328	3.7
225.11307	4.5
235.09755	14.9
236.10405	5.8
247.09680	3.2
247.13388	3.4
249.11206	3.8
249.14952	8.6
253.10895	17.9
254.11304	2.3
256.14615	2.0
260.24664	1.9
261.11316	2.1
261.14758	3.0
263.12787	3.5
265.14478	19.9
275.12823	2.4
289.18076	5.7
293.14011	5.6
303.15936	5.4
303.19543	2.3
305.17609	3.7
307.19138	41.4
308.19485	5.6
317.17661	2.8
319.19382	2.5
322.14258	8.7
331.19012	2.8
345.20575	4.5
347.22324	6.3
349.20190	3.8
351.18063	20.1
352.18573	2.8
373.20032	2.2
389.19647	8.5
391.20905	2.2
402.23489	2.4
413.26849	3.2
431.28043	37.1
432.28351	6.3
443.24420	4.4
457.25766	2.6
475.27039	100.0
476.27380	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	475.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
57.03446	13.8
57.17081	1.3
60.12615	1.5
71.05033	3.2
71.05708	2.5
77.90207	1.4
81.03468	6.1
83.01374	1.2
85.02940	8.3
85.06567	2.4
87.04544	1.6
95.05081	2.5
97.06604	83.7
98.06953	2.5
99.04521	1.3
99.08154	1.7
101.06095	68.2
105.26162	1.3
111.04502	1.8
111.08156	2.4
113.06105	10.1
115.07655	13.6
123.00877	1.7
123.08217	3.3
124.01684	3.8
125.02465	6.8
125.06080	6.3
127.07716	1.5
129.05582	2.5
130.47179	1.3
137.02483	3.8
137.09740	2.1
138.03281	3.8
139.04028	27.5
141.09283	4.9
151.11292	9.4
153.05580	4.6
155.10843	1.4
158.36667	1.3
163.11328	3.2
165.09210	5.8
165.12894	5.3
167.03493	1.7
170.09531	1.5
181.08691	2.2
181.12378	3.7
191.10831	2.3
196.07455	10.7
197.08064	1.9
200.06927	4.1
209.08218	6.9
209.11864	17.7
210.12067	2.2
211.17105	2.0
216.58710	1.4
219.17548	4.4
220.17990	1.9
221.15533	6.3
228.06459	2.7
235.09758	4.9
239.16505	4.9
247.09953	1.5
249.11218	1.7
251.03629	1.5
253.08138	2.3
253.10803	43.6
254.11247	3.9
265.14447	63.8
266.14682	6.9
275.13046	2.1
277.14462	98.5
278.14728	9.8
289.18372	2.9
289.21716	48.6
290.22070	5.0
293.13968	35.5
294.14246	2.5
307.18991	1.8
322.14139	6.2
323.14542	1.5
333.20734	3.6
335.18591	1.5
345.20651	2.3
351.18137	15.9
352.18427	2.1
362.20773	2.5
363.21844	2.7
373.20358	1.4
374.20880	1.6
391.21042	4.2
406.20087	5.6
407.20184	2.7
443.24371	3.4
475.27029	100.0
476.27347	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34873	0.4
55.01886	0.9
57.03447	1.3
58.00595	1.9
59.01381	100.0
60.01723	1.3
61.98840	1.6
71.01388	39.9
71.71143	0.5
71.71490	0.9
72.01732	1.0
72.99310	2.0
73.02952	3.2
75.00879	0.5
83.01394	2.1
85.02962	7.2
87.00900	1.4
88.98807	1.4
89.02456	64.3
90.02805	0.7
95.01409	1.4
96.96015	1.6
99.00915	3.1
101.02460	26.2
102.02784	0.6
107.67132	0.4
113.02465	12.0
119.03516	9.2
125.02438	1.5
125.06129	0.5
129.01929	1.8
131.03525	47.6
132.03862	1.7
143.03516	2.9
149.04575	46.2
150.04898	1.7
153.05580	0.9
161.04610	2.5
173.04521	0.6
176.04655	0.6
179.05621	14.3
191.05630	27.0
192.05997	1.1
221.06721	2.3
225.05818	0.6
251.07751	3.9
257.04413	0.8
263.07437	0.5
275.05344	0.8
281.08463	0.5
283.11902	2.3
293.08612	0.7
311.09698	1.6
387.12067	0.4
415.15836	6.6
415.23303	1.4
416.16275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91449	0.4
55.01871	0.9
56.47667	0.4
57.03448	5.7
58.00603	0.4
59.01380	84.5
60.01710	1.7
60.99307	2.3
61.01802	0.6
61.98832	59.6
63.02395	0.4
65.00332	0.9
68.05103	0.4
69.03461	0.4
69.59335	0.8
69.59741	2.8
71.01387	21.9
72.01729	0.5
72.99315	0.8
73.02954	5.0
75.00877	1.4
76.01540	0.5
76.38004	0.4
81.03458	2.5
83.01391	7.7
83.05032	0.8
85.02958	6.9
85.06614	0.6
85.28129	0.3
87.00893	1.1
87.04548	0.5
87.59167	0.4
88.98813	17.8
89.02454	15.2
95.01408	1.1
97.02981	1.3
99.00900	1.7
101.02455	13.9
102.02844	0.4
105.03479	0.5
107.01385	1.3
108.02229	0.6
108.15436	0.6
109.02985	0.6
109.06647	0.5
111.04465	0.5
113.02462	8.4
113.20374	0.4
117.03493	0.6
119.03517	5.5
121.02984	0.7
123.00897	0.6
123.04545	1.5
123.08210	0.5
124.01694	2.2
124.05341	2.8
124.56809	0.4
125.02464	100.0
125.06078	5.7
127.07648	1.3
129.01956	0.4
131.03497	0.8
135.04550	0.6
135.08122	0.7
139.00415	0.6
139.04039	4.9
143.03510	1.9
149.02472	10.8
149.04440	0.6
151.00343	2.4
151.04012	0.5
159.02983	1.5
161.04578	14.1
162.04979	0.5
163.03995	0.8
163.11227	0.6
165.09206	1.2
167.03517	6.3
171.04555	0.6
173.02391	0.5
179.03516	1.9
179.05659	4.6
181.05128	0.5
191.03510	0.6
191.05586	0.6
215.03513	0.8
217.16060	0.6
221.11824	0.8
233.08147	1.5
233.15436	0.6
235.17050	2.9
236.17331	0.6
239.12944	0.5
251.09262	10.6
253.18088	12.2
254.18352	1.0
259.02490	3.9
262.04837	0.5
265.14444	1.4
271.02408	2.7
275.09189	3.8
277.07178	1.6
277.15213	0.4
287.07718	2.8
293.10587	0.7
293.13953	1.6
299.01959	6.1
300.02493	0.5
313.16507	1.1
351.18127	0.4
385.12851	0.7
389.19479	0.6
397.22156	1.8
413.14551	52.4
415.23380	29.1
416.23743	4.6
439.12320	1.1
475.08139	2.4
475.27307	4.3
476.27673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50595	0.3
57.03447	0.5
58.12949	0.2
59.01086	0.5
59.01382	10.3
60.99308	13.4
61.98832	10.4
71.01375	2.8
71.72170	0.4
71.72831	0.3
72.99312	0.3
73.02937	0.5
75.00872	0.5
85.02950	0.9
85.06591	0.2
87.00885	0.4
87.04556	0.4
88.98816	100.0
89.02449	1.7
89.98648	0.2
89.99132	1.2
90.87775	0.3
93.03482	0.5
95.01398	0.4
95.05033	0.4
97.06628	0.4
99.00867	0.3
101.02466	2.0
101.06108	0.5
101.13313	0.2
101.65564	0.3
109.02925	0.4
109.06606	0.3
111.04528	0.5
113.02455	1.4
115.87728	0.2
119.03485	0.6
121.02958	0.3
125.02450	0.9
125.06103	2.8
125.93053	0.2
127.07658	1.0
135.04527	0.4
137.02449	0.3
139.04047	0.8
143.03494	0.3
151.00395	0.3
161.04553	1.1
179.03462	0.4
179.05714	0.6
179.07202	0.3
179.10767	0.6
181.05127	0.5
181.12383	0.3
191.05692	0.4
191.10901	0.3
196.07372	0.3
199.03986	0.3
223.09744	3.2
224.10010	0.4
227.03572	0.4
229.01541	0.4
235.09831	0.8
236.10197	0.3
243.03032	1.0
253.18161	0.5
255.03021	0.5
256.03854	0.8
257.04605	1.4
265.10910	1.3
265.14508	1.1
267.70535	0.2
271.02505	2.4
272.03265	2.7
273.03995	1.2
277.10721	0.3
286.04843	0.6
288.06445	0.7
293.13953	1.0
299.02020	3.6
300.02362	0.4
313.10846	0.3
322.14346	0.5
343.08231	0.5
359.14801	0.3
385.15134	0.9
389.10751	0.3
389.19315	0.7
405.08374	0.8
415.23346	4.0
416.23611	0.4
475.12598	3.0
475.28024	3.5
476.13354	0.4
476.27716	0.5
501.58859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06499	0.8
57.03449	80.3
58.03778	2.6
59.01381	3.3
67.41421	0.9
70.01931	4.9
70.02339	1.3
71.01378	4.4
77.49146	0.8
81.03448	0.8
82.00676	0.8
83.01408	1.2
85.02959	3.2
91.84769	1.0
92.34692	0.9
95.39435	0.9
99.03884	1.6
99.04535	26.2
100.04874	1.7
101.02464	20.3
110.00133	1.6
111.00909	5.4
113.02451	3.3
116.92902	1.3
124.01672	1.3
125.02470	16.9
137.02478	1.1
137.99608	3.2
139.00397	44.4
140.01059	1.1
143.03520	1.2
151.03951	1.4
152.01183	2.8
153.01958	59.3
154.02747	63.2
155.03226	3.8
160.31749	1.0
161.04567	4.1
167.03505	11.1
168.00653	1.0
168.04288	34.2
169.05080	100.0
170.05417	5.7
195.06625	1.4
210.16580	0.9
243.08925	1.1
313.09271	4.1
320.63422	1.1
331.10345	29.3
332.10635	3.6
373.11404	22.9
374.11780	2.9
413.14688	4.9
475.14771	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83853	0.6
59.01372	1.4
68.64801	0.6
71.01385	13.8
71.71073	0.8
72.01714	0.5
72.99299	3.1
81.98334	0.5
87.00888	1.3
89.02459	2.5
115.00391	42.6
116.00717	1.6
123.00916	1.5
132.03064	3.0
133.01453	100.0
134.01820	2.6
138.03293	3.4
153.05582	1.5
166.99786	0.8
182.02213	3.1
183.02551	0.6
191.05614	4.9
197.04556	9.6
198.04781	0.6
224.32808	0.6
295.10272	0.7
359.09741	3.2
466.68085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01380	26.5
60.99308	14.2
61.98835	5.5
68.99824	0.3
70.77150	0.6
70.77511	0.5
71.01031	0.4
71.01391	4.4
72.99319	0.4
73.02946	1.0
76.46381	0.3
83.01395	0.8
85.02962	1.9
88.98815	100.0
89.02444	2.8
89.99147	0.9
95.01391	0.4
99.00928	0.6
101.02456	3.7
107.01383	0.5
109.02939	0.3
113.02449	2.0
119.03544	1.4
119.05049	0.4
124.05290	0.3
125.02489	0.9
125.06093	1.1
127.07654	0.4
137.02499	0.3
139.04062	0.4
143.03488	0.6
146.55246	0.2
151.00388	0.8
156.30560	0.3
159.02899	0.4
161.04564	2.6
179.05629	0.7
181.05046	0.3
181.47580	0.3
187.14824	0.2
191.05592	0.6
199.04050	0.6
227.03506	0.4
227.07143	0.9
235.17087	0.6
253.18146	1.2
259.02625	0.3
265.14362	0.6
271.02475	1.9
271.06152	0.7
282.19623	0.3
293.13959	0.6
299.01974	3.5
299.05252	0.5
300.02509	0.5
313.07114	0.4
367.11774	0.3
385.13016	0.4
397.22232	0.8
415.23364	11.0
416.23737	0.9
475.27335	2.0
476.27200	0.3
481.94971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03448	1.1
58.00617	0.4
59.01379	34.6
60.99306	14.1
61.98831	6.8
69.62646	1.7
71.01385	5.0
72.99299	0.5
73.02949	1.3
78.20670	0.2
83.01410	0.8
85.02953	2.2
87.00913	0.3
88.98814	100.0
89.02457	3.2
89.68211	0.2
89.99149	1.2
90.61794	0.2
93.03447	0.3
95.01398	0.4
99.00866	0.6
99.04510	0.5
101.02454	4.3
107.01487	0.3
111.62466	0.2
113.02455	2.8
119.03518	1.6
119.05006	0.6
124.05303	0.5
125.02463	0.9
125.06072	0.9
127.07663	0.5
131.03517	0.3
135.04478	0.2
137.02423	0.6
138.03268	0.3
143.03474	0.8
143.04585	0.2
151.00430	1.2
161.04575	3.1
167.03374	0.4
168.03001	0.3
177.01945	0.4
179.05615	1.4
185.85403	0.3
191.05522	0.7
199.03998	0.3
215.03506	0.3
227.06960	0.5
235.09763	0.4
235.17030	1.2
243.02950	0.6
253.14484	0.3
253.17958	0.9
255.02997	0.3
259.02426	0.4
265.14267	0.8
271.02771	2.0
271.05917	2.2
272.02777	0.3
293.13922	0.3
299.02087	4.3
299.05515	0.9
300.02478	0.8
302.32562	0.3
303.15930	0.3
334.05994	0.3
352.24551	0.2
367.11575	0.4
374.18225	0.3
397.22052	1.1
415.23392	14.1
416.23773	1.5
475.08014	0.3
475.25967	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	475.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03450	3.4
59.01380	1.9
61.67471	0.3
61.98824	0.3
71.00987	0.6
71.01385	11.8
71.42152	0.6
73.03004	0.3
76.70976	0.2
76.71407	0.3
80.58044	0.3
85.02954	0.8
87.00875	0.4
89.02443	0.3
95.01385	0.9
96.96023	0.4
97.03012	0.3
99.04535	0.8
101.02463	1.1
109.02927	0.4
111.04588	0.4
115.00389	7.7
119.05016	0.3
122.03743	0.5
123.00904	17.5
123.04539	4.9
124.01212	0.6
125.02464	0.8
125.06103	2.4
127.07661	0.4
137.02454	1.2
138.03242	30.1
139.00404	1.5
139.03618	1.2
151.04024	18.4
152.04341	1.2
153.01985	1.7
153.05588	13.0
153.06834	0.4
154.02776	1.6
154.05974	0.8
161.04601	0.4
166.99872	8.5
167.03529	0.5
168.00336	0.4
168.04298	1.1
169.05078	6.7
170.05368	0.4
170.86224	0.2
181.01411	0.5
182.02226	35.4
183.02519	1.5
191.05661	0.5
197.04561	100.0
198.04910	6.0
235.09769	0.6
239.05606	0.5
239.25356	0.3
265.14426	0.8
293.13953	0.6
313.09204	1.7
314.09671	0.4
322.14178	0.3
331.10327	4.5
332.10602	0.3
339.03601	0.3
355.10590	0.4
359.09857	27.1
360.10306	2.6
373.11389	1.1
385.08923	0.4
413.14929	0.4
475.13907	0.6
475.19086	0.4
475.26581	1.5
476.18579	0.3
476.27261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1093
Annotation	Napyradiomycin SR
Peak:m/z	Relative Intensity
52.03443	0.5
55.04149	0.5
57.03221	0.6
57.03450	7.2
59.01383	10.8
61.98821	0.6
69.03455	3.0
70.46357	2.3
71.01385	1.8
80.91665	1.4
81.03455	1.7
82.43670	0.7
83.01398	1.5
85.02951	1.4
89.02454	0.8
91.50202	0.5
93.03460	0.7
95.01411	0.9
96.96011	0.8
97.02976	2.7
99.04508	3.6
101.02454	3.0
101.06048	0.6
107.01393	1.1
108.02168	0.7
109.02979	1.4
121.02949	0.9
123.00883	5.6
123.04534	4.4
124.00831	1.1
124.01682	15.2
125.02467	66.9
125.06092	1.9
126.02792	1.8
127.07673	1.0
137.02464	3.9
139.04065	1.3
146.03731	5.2
149.02455	1.3
149.99608	23.4
151.00365	2.9
151.04027	0.9
161.04550	2.6
161.06012	1.6
164.04840	3.7
167.02121	1.1
167.03510	17.6
168.00662	59.3
169.01422	9.0
169.05118	1.2
178.64096	0.6
179.03612	0.5
179.05775	0.7
179.07137	15.8
180.07501	1.3
191.05588	1.2
246.43719	0.6
261.03931	0.7
265.14380	1.0
287.07706	2.4
293.13980	1.0
313.05627	5.7
329.08755	1.8
331.06689	21.0
332.06949	2.1
355.07471	0.7
373.07779	3.8
413.10703	1.4
475.10873	100.0
475.26761	3.3
476.11246	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50626	0.5
57.03181	0.6
57.03449	11.9
59.01373	1.5
69.03452	1.1
70.25703	2.1
71.05024	2.1
74.88074	0.5
75.56496	0.4
79.05541	0.8
83.05014	0.8
85.02957	4.9
93.03435	0.6
93.07114	2.9
95.05018	1.8
95.16737	0.5
97.02953	3.4
97.06615	3.2
98.19955	0.7
99.04518	1.0
101.06095	5.3
107.05045	0.7
109.02940	0.8
109.06586	1.2
111.04482	0.7
111.08179	2.6
113.09740	0.7
121.06599	1.9
121.10246	2.5
123.04519	0.7
123.08164	2.7
124.05304	0.7
125.06068	0.9
127.07662	0.7
133.06622	1.5
135.08174	5.3
139.04100	0.9
139.07672	6.5
140.04825	0.7
140.08067	0.7
141.09227	2.6
145.10263	1.1
147.08174	1.5
147.11790	0.9
149.09738	1.4
151.03999	0.8
151.07657	3.0
153.09242	4.4
154.94501	0.5
161.09671	1.0
163.07674	0.9
163.11313	5.8
165.12851	3.9
167.07283	0.6
167.10791	0.9
173.09787	3.2
179.07121	1.1
179.10814	0.8
180.07942	1.1
181.08626	0.6
181.12352	4.4
191.10786	23.9
192.11165	1.5
193.15991	0.9
197.08081	0.5
207.13936	0.5
209.11841	33.0
209.15431	1.8
210.12251	2.5
219.13939	2.4
227.12839	0.8
235.13358	1.1
237.14983	4.9
238.15511	0.5
253.10806	100.0
254.11093	7.4
267.12314	0.6
277.18253	0.5
305.17712	0.9
319.11920	0.9
321.16974	3.0
333.17200	1.0
333.20804	1.1
349.16617	1.5
351.18497	0.6
361.20233	9.0
362.20547	1.1
371.18698	1.6
389.19690	10.2
390.19949	1.3
391.21298	4.8
392.21783	1.2
404.18521	0.7
429.26422	0.8
445.25909	1.2
473.25485	18.0
474.25690	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	474.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14501	0.3
57.03458	0.3
59.01382	5.3
61.98832	100.0
71.01390	1.0
77.07795	0.3
79.18536	0.3
83.01387	0.3
86.61497	0.3
88.98825	0.6
89.02466	0.9
98.19862	1.0
98.58689	0.3
101.02467	0.8
113.02507	0.5
119.03531	0.5
125.06064	0.6
126.23538	0.3
144.07787	0.3
148.05324	22.5
149.05666	1.2
161.04619	0.6
163.07671	31.9
164.07985	1.9
189.02058	0.4
229.51965	0.5
243.02893	0.3
271.02289	0.4
283.02594	0.5
299.02036	1.0
312.18744	0.3
339.16061	0.3
348.23074	0.3
367.14148	0.3
415.23276	2.2
474.30701	0.7
475.12909	0.6
475.26813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2545
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
57.03440	1.8
59.01374	1.1
61.98841	0.6
67.57560	0.4
71.05010	0.6
71.05343	0.8
78.95909	2.6
79.01910	0.4
83.05026	1.0
92.05983	0.3
93.03481	0.4
101.06098	8.3
102.81950	0.3
107.05065	0.5
109.02996	1.2
109.06625	0.5
111.04536	1.9
113.09758	0.4
120.50401	0.3
121.02954	0.4
121.06599	2.8
123.04551	0.6
123.08212	0.5
124.01680	0.8
125.02502	0.6
125.06095	7.0
127.07659	0.7
135.08197	3.3
137.02490	0.8
137.06125	0.5
137.09749	1.7
138.03256	2.0
139.04013	1.5
147.04510	1.9
149.06073	0.6
151.04070	0.4
151.11288	0.4
153.09232	0.8
159.08168	2.7
163.07701	0.5
165.01965	1.4
166.02731	10.1
167.03259	0.5
175.07626	0.6
177.05510	0.4
179.07170	1.2
180.08011	0.4
181.08725	1.1
187.07721	1.0
188.04758	1.4
189.05473	0.6
191.10695	0.4
193.05103	0.5
193.08650	0.6
199.07597	0.6
201.05701	0.5
201.09256	1.0
202.06412	0.5
203.07135	4.2
207.06544	2.1
207.10233	0.4
208.07353	1.0
209.11777	0.7
212.06975	0.4
217.08713	0.7
219.06674	0.5
219.13910	1.4
220.83000	0.3
221.08212	8.9
221.15379	0.6
222.08981	28.2
223.09398	2.7
231.06711	0.8
233.08223	1.1
235.09724	0.8
239.14273	0.4
245.08154	2.1
247.09737	1.0
247.17134	1.1
253.10910	1.0
256.85980	0.4
257.11646	0.4
257.15424	0.8
259.09787	1.0
260.06931	0.6
260.10199	0.4
261.07742	0.5
262.08542	0.9
271.13467	0.8
273.07724	1.3
273.11517	0.5
275.09290	1.0
277.10843	0.7
277.21701	5.3
283.13467	1.2
284.14023	0.6
285.11948	0.6
285.14972	3.1
287.12918	0.8
291.15967	3.0
301.10825	3.8
301.14481	3.5
302.11298	0.9
302.14627	0.6
311.12817	1.0
315.12500	3.0
315.15793	0.6
316.13138	2.9
328.13074	0.5
329.13956	49.8
330.10922	0.6
330.14313	6.0
331.15439	0.5
342.18323	0.6
343.15253	0.5
347.18530	0.4
371.14597	0.8
371.18829	1.8
385.16663	0.6
386.17368	27.4
387.17746	3.4
389.19760	1.9
429.26526	1.5
430.26978	0.4
455.24405	100.0
456.24722	18.2
473.25479	43.7
474.25879	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	473.2546
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
56.32607	0.2
57.03447	1.3
68.99834	0.4
69.52525	1.8
69.52946	0.7
70.93717	0.2
71.05049	0.3
95.89760	0.2
101.06097	0.6
101.40585	0.3
104.91608	0.3
107.05013	0.3
109.02972	0.8
112.71220	0.2
121.06607	1.5
123.04531	0.6
125.06112	4.5
126.06475	0.3
127.07728	0.2
129.05537	0.3
135.08150	0.4
137.02509	0.6
137.09756	1.4
138.03271	1.4
139.04010	0.8
141.09383	0.3
142.18915	0.3
147.04521	1.0
151.00334	0.4
151.04085	0.7
159.08223	1.8
163.07602	0.4
164.04770	0.5
165.01961	1.0
165.05583	0.7
166.02747	5.1
167.03394	0.6
171.08125	0.3
175.07703	0.6
177.09248	0.5
179.03589	0.4
179.07123	0.7
180.07890	0.3
181.08633	0.7
187.07712	0.5
188.04796	0.5
189.05658	0.5
191.03525	0.8
191.07233	0.4
193.05084	0.5
193.08673	0.5
199.07681	0.3
201.09219	0.4
203.07150	2.3
205.08856	0.4
205.12352	0.6
207.06578	1.3
207.10358	0.5
208.07413	0.5
209.08153	0.3
209.11917	0.3
212.06903	0.4
219.06557	0.4
219.10162	0.3
219.13924	0.4
220.10999	0.3
221.08195	6.1
222.08974	13.8
223.09554	2.0
223.17020	0.4
231.10240	0.4
233.08194	4.3
233.11720	0.3
234.08630	0.5
235.09766	5.2
236.10370	0.6
237.11264	0.3
243.06706	0.3
245.08174	0.9
247.09656	1.4
247.17009	0.5
248.10587	2.9
249.11316	6.2
250.09531	0.3
250.11832	1.5
250.78134	0.3
253.10793	0.9
255.63438	0.3
259.09799	0.6
259.13660	0.3
260.06924	0.4
261.07480	0.3
262.08447	1.8
271.13553	0.4
273.07697	1.4
273.10968	0.4
275.09314	1.8
276.09964	3.6
277.10736	2.4
278.10831	0.3
283.13260	0.6
285.14902	1.4
287.12964	0.9
291.12445	5.1
291.15903	1.0
292.12735	0.4
301.10852	2.2
301.14484	1.5
302.11136	0.5
303.16165	0.3
311.12839	0.5
315.12418	2.4
316.13181	2.8
317.13690	0.3
319.11676	0.6
320.12692	1.2
328.13068	0.4
329.13953	24.4
330.10764	0.4
330.14322	3.2
343.15671	0.5
347.15012	2.8
361.16464	1.5
361.20618	0.3
369.17276	0.3
371.14963	0.7
385.16965	0.4
386.17334	14.2
387.17816	3.0
389.19775	0.7
403.18109	0.3
404.18448	7.0
405.18979	1.2
429.26590	0.4
455.24417	2.5
473.25464	100.0
474.25803	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	473.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	17.9
59.01385	1.3
64.83013	0.5
69.03468	1.6
69.46921	5.4
71.05022	1.5
73.14793	0.6
74.08551	0.6
75.68607	0.6
83.05028	1.2
85.02956	8.9
93.07106	2.5
95.05052	1.0
97.02974	2.1
97.06599	2.3
98.11646	0.6
98.19885	1.4
99.04558	0.7
101.06100	5.9
109.06617	1.1
111.04498	0.8
111.08184	3.7
113.09772	1.4
121.06624	2.1
121.10256	1.5
123.08157	3.1
125.06107	1.7
125.09736	1.0
127.07691	0.7
129.05600	1.5
133.06598	1.3
135.08194	8.1
136.05370	0.6
137.06111	0.8
139.07680	7.4
140.04822	1.0
141.05623	0.8
141.09264	3.8
145.10237	0.9
146.40233	0.7
147.11823	1.3
149.09779	1.8
151.07669	3.3
151.11307	1.4
153.09230	6.4
163.11284	5.2
165.03639	0.7
165.12880	8.9
166.06383	0.8
166.13295	0.7
167.07179	1.5
173.09703	2.0
179.07153	1.1
179.14397	0.8
180.07971	2.7
181.12370	8.6
181.16035	1.0
182.12677	0.7
191.10808	20.7
191.14388	0.7
192.11264	1.0
193.16010	1.0
197.08321	0.6
203.10867	0.6
206.09467	0.7
209.11850	35.7
209.15231	4.7
210.12173	3.0
219.13896	2.7
219.17513	0.7
235.13399	1.6
237.14952	10.6
238.15454	1.4
249.18567	1.0
253.10823	100.0
254.11160	7.9
275.12961	1.2
289.21677	1.8
293.13980	0.7
305.17587	0.8
317.21033	1.0
319.11832	1.2
321.17050	2.4
327.19638	1.0
333.17099	0.7
349.16730	0.9
361.20248	5.9
361.24249	1.0
362.20505	1.2
371.18582	2.7
389.19778	10.9
390.19986	1.3
391.21323	4.9
392.21564	0.9
429.26575	0.8
445.25818	1.6
473.25467	21.9
474.25644	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03438	0.5
59.01088	0.4
59.01382	7.8
61.98818	2.1
66.90642	0.3
69.38152	2.4
69.38567	0.5
71.01035	0.4
71.01389	3.9
72.99313	0.7
73.02964	0.8
78.01314	0.3
78.95930	0.4
79.01923	0.4
83.01401	0.8
85.02982	1.4
87.00901	1.3
89.02442	2.8
94.43790	0.3
95.01404	0.3
96.96034	1.0
96.96972	0.5
97.02925	0.4
99.00914	0.3
99.08192	0.4
101.02454	3.3
101.06097	0.5
109.02984	0.8
110.39553	0.3
111.00885	0.9
111.08187	0.4
112.10127	0.3
113.02481	1.8
115.25854	0.3
116.79559	0.4
119.03519	1.0
123.04536	0.5
123.08171	0.5
124.01689	0.5
125.02506	0.6
125.06098	11.4
126.06422	0.6
129.07083	0.4
131.04994	0.3
137.02461	0.7
139.00340	0.4
139.04051	2.6
139.07686	1.0
147.08156	0.3
151.00391	1.2
151.04063	0.6
151.11288	0.8
153.05554	1.5
155.07164	0.5
161.04575	0.7
162.03226	0.3
163.03999	0.3
163.11430	0.3
165.01996	0.3
165.05574	1.0
167.03448	0.3
167.07166	1.1
173.06010	0.3
175.03989	0.9
177.01968	0.3
179.05740	0.4
179.07143	2.5
180.07892	0.3
191.05627	0.6
193.05074	0.5
193.08708	3.7
194.09309	0.5
199.04031	1.2
200.04349	0.4
201.11336	0.8
206.09380	0.4
207.06572	0.7
207.10147	0.6
208.07393	1.0
209.08238	1.5
209.11832	0.8
212.06926	0.4
217.05124	0.8
222.09012	4.2
223.09761	40.3
224.10141	2.7
226.08479	2.6
227.08942	0.4
235.09792	0.7
243.02991	3.0
244.03352	0.3
245.03885	0.4
261.04019	7.6
262.04379	0.8
263.04568	0.3
275.12839	1.3
293.13937	11.9
294.14227	1.5
311.15024	1.8
351.01996	0.3
425.18069	0.4
435.09305	2.6
436.09686	0.6
437.09897	0.6
455.18839	0.4
473.20261	100.0
474.20618	15.2
484.18628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01380	100.0
60.01712	1.1
61.98835	3.0
64.98980	0.2
67.66087	0.2
71.01394	1.9
72.99290	0.2
73.02953	0.5
83.01412	0.2
85.02956	0.5
89.02458	1.6
97.02962	0.2
98.85831	0.2
101.02457	1.5
113.02465	0.8
115.07678	0.4
119.03542	0.6
125.02473	0.5
140.50568	0.2
147.08153	0.2
149.04608	0.2
161.04619	0.7
166.05112	2.3
167.05482	1.0
179.05676	0.6
229.73788	0.2
371.20865	0.9
413.21768	1.4
453.04993	0.2
473.24640	0.7
474.23645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1455
Annotation	CHEBI:65772
Peak:m/z	Relative Intensity
59.01382	2.9
61.98837	2.2
67.98502	0.2
69.38794	0.3
69.39140	2.0
71.01382	0.4
78.22052	0.1
89.02444	0.2
93.03475	1.1
98.20667	0.3
101.02491	0.3
101.06108	0.3
111.04505	0.3
123.04500	0.2
125.06135	0.3
135.08162	0.2
141.74049	0.2
153.09308	0.2
183.04506	0.5
183.49319	0.2
185.06081	0.2
195.04514	0.8
199.03943	1.3
211.04031	2.2
212.04497	0.2
214.02805	0.2
223.03949	1.4
227.03554	3.0
228.03940	0.3
239.03455	3.5
240.03822	0.4
242.02231	1.2
250.02562	0.2
251.16595	0.9
255.02980	15.8
256.03470	2.1
266.02316	0.4
267.02972	70.8
268.03345	7.3
268.05969	0.2
281.04599	0.4
288.02756	0.3
293.08228	1.0
295.06110	2.5
296.06583	0.3
309.07672	1.8
310.08472	44.6
311.09125	17.8
312.09634	1.2
325.10843	0.7
383.11307	0.3
418.08929	0.2
429.26614	0.3
473.14536	100.0
474.14877	15.6
474.25894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03438	0.5
59.01088	0.4
59.01382	7.8
61.98818	2.1
66.90642	0.3
69.38152	2.4
69.38567	0.5
71.01035	0.4
71.01389	3.9
72.99313	0.7
73.02964	0.8
78.01314	0.3
78.95930	0.4
79.01923	0.4
83.01401	0.8
85.02982	1.4
87.00901	1.3
89.02442	2.8
94.43790	0.3
95.01404	0.3
96.96034	1.0
96.96972	0.5
97.02925	0.4
99.00914	0.3
99.08192	0.4
101.02454	3.3
101.06097	0.5
109.02984	0.8
110.39553	0.3
111.00885	0.9
111.08187	0.4
112.10127	0.3
113.02481	1.8
115.25854	0.3
116.79559	0.4
119.03519	1.0
123.04536	0.5
123.08171	0.5
124.01689	0.5
125.02506	0.6
125.06098	11.4
126.06422	0.6
129.07083	0.4
131.04994	0.3
137.02461	0.7
139.00340	0.4
139.04051	2.6
139.07686	1.0
147.08156	0.3
151.00391	1.2
151.04063	0.6
151.11288	0.8
153.05554	1.5
155.07164	0.5
161.04575	0.7
162.03226	0.3
163.03999	0.3
163.11430	0.3
165.01996	0.3
165.05574	1.0
167.03448	0.3
167.07166	1.1
173.06010	0.3
175.03989	0.9
177.01968	0.3
179.05740	0.4
179.07143	2.5
180.07892	0.3
191.05627	0.6
193.05074	0.5
193.08708	3.7
194.09309	0.5
199.04031	1.2
200.04349	0.4
201.11336	0.8
206.09380	0.4
207.06572	0.7
207.10147	0.6
208.07393	1.0
209.08238	1.5
209.11832	0.8
212.06926	0.4
217.05124	0.8
222.09012	4.2
223.09761	40.3
224.10141	2.7
226.08479	2.6
227.08942	0.4
235.09792	0.7
243.02991	3.0
244.03352	0.3
245.03885	0.4
261.04019	7.6
262.04379	0.8
263.04568	0.3
275.12839	1.3
293.13937	11.9
294.14227	1.5
311.15024	1.8
351.01996	0.3
425.18069	0.4
435.09305	2.6
436.09686	0.6
437.09897	0.6
455.18839	0.4
473.20261	100.0
474.20618	15.2
484.18628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.4
59.01382	5.8
61.98843	1.9
62.15484	0.2
69.48846	2.2
71.01375	0.7
78.31097	0.2
87.00873	0.3
89.02413	0.4
90.07098	0.2
91.54455	0.2
93.03465	0.9
94.84270	0.2
99.04541	0.6
101.02483	0.3
103.21828	0.2
130.97377	0.2
133.14259	0.2
155.05130	0.3
183.04573	0.5
189.05646	0.3
195.04491	0.8
199.04005	2.2
211.04039	3.2
212.04320	0.4
214.02718	1.8
214.34964	0.2
223.04036	1.9
226.02580	0.2
227.03519	5.1
228.04214	2.4
229.05127	0.4
233.52278	0.2
234.53082	0.2
236.46295	0.2
238.02704	0.4
239.03485	5.9
240.03955	0.8
242.02190	3.0
242.88762	0.2
243.02652	0.4
251.03487	0.2
251.16530	8.3
252.07726	0.3
252.16818	0.6
255.02977	19.9
256.03662	5.6
257.04022	0.4
258.86945	0.2
262.29987	0.3
266.02167	0.7
267.02969	100.0
267.10135	1.8
268.03329	9.3
268.05667	0.2
269.04428	0.4
281.04584	0.8
288.02765	4.4
291.06784	0.4
293.08160	1.0
294.08527	0.3
295.06155	3.1
296.06766	1.1
309.07693	2.9
310.08463	68.9
311.09213	78.6
312.09583	8.1
324.10046	0.3
325.10849	1.0
333.11456	0.4
335.09238	0.7
353.10275	2.1
383.11398	0.7
473.14529	92.3
474.14859	15.2
474.21878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03461	2.5
58.00598	3.7
59.01380	76.9
60.01705	0.9
61.98836	15.4
70.43856	0.5
71.01389	38.7
71.05039	1.4
71.71659	0.7
71.72102	0.9
72.01756	0.8
72.99303	3.6
73.02965	1.4
83.01397	2.6
83.05065	0.6
84.02197	1.1
85.02966	7.9
85.06611	1.2
85.41339	0.5
87.00877	2.8
89.02455	35.8
95.01388	3.4
95.05057	0.8
97.02926	0.5
101.02456	23.7
102.02780	0.9
111.04543	0.9
113.02473	14.8
113.06121	0.7
115.04031	45.0
116.04385	1.0
119.03522	17.9
121.10278	1.6
123.08187	0.6
123.46145	0.5
125.02444	1.5
125.06112	1.4
131.03516	1.1
137.02495	0.9
139.04005	1.4
143.03546	2.1
149.04594	1.2
152.13654	0.5
161.04611	2.4
161.67111	0.5
165.09216	0.7
173.08282	0.7
175.14934	6.0
179.05614	4.8
181.05080	1.8
182.05116	0.5
195.06866	0.7
197.08237	1.3
202.44814	0.4
205.98946	0.5
207.10056	0.6
209.11859	0.9
223.09758	2.0
229.19609	4.9
243.64728	0.5
249.09473	0.9
249.15070	2.5
265.10806	8.3
273.18570	7.7
274.18939	1.1
291.19650	81.9
292.19995	9.7
295.11905	2.2
309.20731	2.2
374.06290	1.1
471.26007	100.0
472.26358	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	470.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01371	3.3
61.98830	100.0
62.98512	0.2
70.48083	0.6
70.48424	0.2
71.01399	0.6
74.65459	0.2
82.95435	0.5
84.95126	0.4
85.02984	0.3
87.00912	0.3
89.02439	0.3
101.02471	0.4
113.02503	0.3
125.02484	0.2
130.56371	0.2
137.02443	0.2
139.04028	0.4
171.33791	0.2
197.08290	0.7
213.40396	0.2
223.09770	1.5
249.14920	0.4
258.01547	0.6
259.02219	0.4
260.02979	0.3
464.08270	0.2
471.19586	0.3
471.26062	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	470.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77746	0.2
57.03442	0.3
59.01385	0.7
61.98835	100.0
62.98536	0.2
66.21164	0.1
71.01400	0.2
71.72583	0.2
91.73431	0.1
95.64085	0.1
97.03021	0.2
123.04552	0.2
125.02484	0.2
137.75682	0.2
138.14516	0.2
147.49245	0.1
151.11365	0.4
180.24808	0.1
191.89270	0.1
211.13435	2.7
382.17679	0.2
451.82391	0.2
452.30817	0.1
471.25961	0.2
471.31628	0.2
481.63336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.01377	4.8
71.01376	3.1
71.71207	0.6
71.71599	0.6
72.99322	0.7
73.02969	2.1
74.90455	0.4
78.95912	0.9
85.02960	5.1
87.00887	1.4
89.02450	3.1
90.16405	0.4
93.03473	2.8
94.71613	0.4
96.96011	0.7
99.04539	3.0
101.02451	2.6
109.02967	0.7
111.00882	0.5
111.04552	1.1
113.02453	1.3
115.92096	0.5
116.92905	0.4
117.01972	2.6
119.03545	1.2
127.04027	1.3
128.90109	0.6
129.05605	0.5
130.08760	1.8
133.03015	0.4
135.04546	0.9
137.02444	0.6
161.02435	1.7
161.04578	8.3
162.04887	0.5
173.04587	2.6
173.05818	0.4
179.03535	0.9
179.05573	0.9
191.05635	100.0
192.05984	3.5
246.00050	0.4
259.91473	0.5
265.09238	1.1
270.77792	0.5
296.94684	0.8
309.11975	2.9
341.10980	4.3
353.08789	11.3
354.09152	1.6
471.13406	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83294	0.2
54.40884	0.2
57.03453	0.4
58.00591	0.6
59.01380	100.0
60.01717	1.1
61.98833	7.2
71.01383	5.3
71.71938	0.4
78.61037	0.2
81.03461	0.3
83.01381	0.5
85.02969	1.5
87.00900	0.6
88.98830	0.5
89.02454	5.7
89.02996	0.4
91.68914	0.2
93.03481	0.4
95.01399	0.5
96.96047	0.5
97.02969	0.3
99.00946	0.3
99.31985	0.2
101.02451	3.7
101.58410	0.3
102.31680	0.3
113.02479	2.6
119.03522	2.6
121.02976	4.2
125.02463	0.6
137.02524	0.6
143.03510	0.3
143.07196	0.6
145.43336	0.2
157.08760	0.3
161.02582	0.3
161.04674	0.5
165.09212	1.5
177.09314	0.4
179.05713	0.8
183.06683	0.3
193.05110	0.3
197.08179	1.8
209.11942	0.3
247.16960	0.5
249.15059	1.1
266.76025	0.3
273.18613	1.2
291.19644	3.9
292.20114	0.7
313.60400	0.2
321.09692	0.2
411.20203	0.3
471.20001	0.4
471.25983	6.9
471.31509	0.9
472.26263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2959
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
54.75902	0.4
63.87750	0.3
70.87481	1.1
71.04996	0.3
89.46160	0.3
97.02989	2.2
149.02380	0.5
150.18018	0.4
152.01083	0.5
180.04317	2.9
191.03473	1.0
193.05075	7.5
194.05533	0.7
203.10725	0.4
205.05092	4.3
205.08682	1.3
206.05803	3.0
207.06485	0.4
217.05159	0.5
218.05717	0.4
219.06671	3.3
220.07001	0.5
231.06639	6.2
231.10265	0.9
231.13913	0.5
233.08215	0.7
243.10188	1.2
247.09698	1.0
248.10507	0.7
249.11247	0.5
259.09668	0.8
261.11304	11.1
262.11761	1.1
271.09784	0.5
273.11316	3.5
273.14578	0.8
274.12112	1.4
275.12863	2.2
285.18643	0.6
287.12820	3.5
289.14410	0.8
299.12900	3.4
300.13165	0.5
301.14459	1.2
315.16006	1.3
327.12546	0.5
328.16760	0.5
329.17584	13.5
330.17944	2.5
331.18729	0.4
332.16357	3.3
343.15414	0.4
343.19150	6.8
344.19617	0.9
345.17096	6.6
346.17459	0.5
357.17072	47.6
358.17407	6.5
385.20212	3.3
386.20770	0.5
399.22021	1.0
400.22488	2.9
401.22995	0.5
425.30652	2.6
432.21426	0.5
469.29614	100.0
470.29919	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	470.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98833	100.0
63.02414	0.2
65.00330	0.6
71.01431	0.2
83.01414	0.7
92.35981	0.2
93.03497	0.4
99.84474	0.2
107.01412	0.9
109.02984	0.5
117.03497	0.5
119.55740	0.2
124.01788	0.2
125.02483	0.8
131.05069	0.3
132.77448	0.2
135.04529	1.0
137.02499	0.6
139.04076	0.2
151.00412	2.8
151.01552	0.3
151.04031	0.3
159.04556	1.4
161.02509	1.3
163.03969	0.3
173.06152	0.4
175.04041	0.7
177.05591	0.4
199.04086	0.7
201.05579	1.1
204.31592	0.2
217.05180	0.3
227.03633	0.4
243.03017	2.9
245.04555	24.8
246.04889	2.4
261.04034	4.9
269.04385	0.3
287.05923	0.4
289.07199	0.5
290.07504	1.0
336.99200	0.2
407.09848	6.0
408.10416	0.7
435.09445	3.0
471.19089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.78867	0.5
57.03447	2.3
58.00573	0.9
59.01380	51.9
60.01698	0.5
61.98834	15.9
65.73804	0.5
67.01894	0.9
69.03416	0.4
70.20802	1.9
71.01385	22.3
72.99316	1.8
73.02953	9.7
77.33391	0.4
78.95918	12.8
79.95740	1.7
81.03472	0.6
83.01395	6.1
85.02956	12.0
86.00131	0.6
87.00449	0.4
87.00859	2.3
89.02450	4.4
93.03469	5.3
94.03825	1.4
95.01402	1.7
96.96024	100.0
96.96951	23.4
97.02969	1.0
97.06541	0.5
99.00906	4.2
101.02457	27.6
102.02798	0.6
109.02978	0.8
111.00887	0.6
111.04542	1.3
113.02464	9.8
121.02961	0.7
125.02473	2.6
125.06218	0.6
129.01949	0.9
131.03522	29.8
132.03853	1.2
133.02997	1.5
134.03798	4.2
135.04610	3.6
136.04939	1.0
137.02457	2.3
138.02792	0.5
139.04022	0.6
143.03545	1.0
149.02606	0.6
151.00371	0.6
155.03554	0.6
159.02992	1.8
161.04559	7.1
163.04088	0.5
165.09245	2.8
173.04553	2.3
174.04887	1.0
175.05110	0.8
177.02019	1.5
178.02724	3.4
179.03349	3.0
180.03377	1.9
185.11821	0.5
191.05603	4.4
192.06029	1.7
193.06055	1.0
205.03481	0.6
209.08205	16.4
210.08519	1.1
218.93340	0.4
275.09293	1.1
276.09799	0.8
277.10242	2.4
277.16565	68.6
278.16925	5.5
293.10168	1.2
294.10568	1.5
295.10950	2.3
371.13556	4.7
372.13828	0.8
381.16528	1.3
406.21832	0.8
409.20819	29.7
410.21167	4.6
451.14703	2.7
469.15970	5.9
470.16165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
55.78867	0.5
57.03447	2.3
58.00573	0.9
59.01380	51.9
60.01698	0.5
61.98834	15.9
65.73804	0.5
67.01894	0.9
69.03416	0.4
70.20802	1.9
71.01385	22.3
72.99316	1.8
73.02953	9.7
77.33391	0.4
78.95918	12.8
79.95740	1.7
81.03472	0.6
83.01395	6.1
85.02956	12.0
86.00131	0.6
87.00449	0.4
87.00859	2.3
89.02450	4.4
93.03469	5.3
94.03825	1.4
95.01402	1.7
96.96024	100.0
96.96951	23.4
97.02969	1.0
97.06541	0.5
99.00906	4.2
101.02457	27.6
102.02798	0.6
109.02978	0.8
111.00887	0.6
111.04542	1.3
113.02464	9.8
121.02961	0.7
125.02473	2.6
125.06218	0.6
129.01949	0.9
131.03522	29.8
132.03853	1.2
133.02997	1.5
134.03798	4.2
135.04610	3.6
136.04939	1.0
137.02457	2.3
138.02792	0.5
139.04022	0.6
143.03545	1.0
149.02606	0.6
151.00371	0.6
155.03554	0.6
159.02992	1.8
161.04559	7.1
163.04088	0.5
165.09245	2.8
173.04553	2.3
174.04887	1.0
175.05110	0.8
177.02019	1.5
178.02724	3.4
179.03349	3.0
180.03377	1.9
185.11821	0.5
191.05603	4.4
192.06029	1.7
193.06055	1.0
205.03481	0.6
209.08205	16.4
210.08519	1.1
218.93340	0.4
275.09293	1.1
276.09799	0.8
277.10242	2.4
277.16565	68.6
278.16925	5.5
293.10168	1.2
294.10568	1.5
295.10950	2.3
371.13556	4.7
372.13828	0.8
381.16528	1.3
406.21832	0.8
409.20819	29.7
410.21167	4.6
451.14703	2.7
469.15970	5.9
470.16165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
56.81865	0.5
57.03447	3.6
58.00603	1.4
59.01382	69.4
60.01690	1.4
61.98837	11.7
64.90784	0.5
67.01898	0.5
69.03452	0.6
69.75322	3.6
71.01390	27.4
72.99303	1.7
73.02955	13.0
76.72003	0.6
78.95910	7.0
83.01400	7.1
85.02966	17.7
87.00900	1.8
89.02458	5.5
93.03490	2.4
95.01402	2.3
96.96989	5.6
97.02969	1.5
99.00894	5.5
99.04502	1.1
101.02458	38.6
102.02818	0.9
102.59149	0.5
111.00923	1.1
113.02473	15.4
125.02450	1.3
129.01965	1.0
131.03526	42.4
132.03899	1.1
133.02972	0.8
134.03802	3.5
135.04466	2.3
135.20865	0.5
137.02472	1.2
143.03513	2.2
159.03014	2.9
161.04581	11.5
161.09775	0.5
173.04526	1.3
174.04979	0.9
177.01929	0.9
178.02771	3.0
179.03302	2.1
180.03407	1.0
185.11975	0.6
191.05647	1.4
205.08751	1.6
211.00291	0.6
227.03546	5.3
229.04993	1.1
255.03017	8.3
256.03329	1.5
257.04288	1.6
276.09601	1.1
277.16577	100.0
278.16953	9.6
284.03271	9.7
285.04044	11.0
286.04254	2.0
287.04684	1.6
293.10019	0.8
294.10764	1.2
295.10965	2.0
321.15594	1.2
406.18005	0.7
409.20828	37.0
410.21091	5.1
417.18631	0.6
431.09833	15.9
432.10251	2.7
433.10550	2.5
451.15533	2.3
469.16718	2.7
469.22852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.6
58.02966	0.2
59.01381	6.6
61.98830	1.9
62.62941	0.2
63.02402	3.0
64.68717	0.2
65.00330	0.4
69.91890	1.2
70.02982	0.7
71.01377	0.4
71.05019	1.9
81.03442	0.2
87.05651	0.7
91.01904	28.7
91.05521	0.3
92.02257	1.0
93.03466	0.6
94.03777	0.2
98.19864	0.3
99.04528	5.8
99.05161	0.3
101.02452	2.0
105.96093	0.2
107.76727	0.2
115.05148	0.3
119.05025	0.7
119.08678	0.5
121.02972	0.6
121.10252	0.6
123.08189	0.8
125.02457	2.6
130.03328	0.7
130.04285	0.5
131.05090	0.9
132.05833	0.6
134.03702	0.4
135.04555	0.2
145.06650	0.4
146.08260	7.0
147.04579	0.4
147.08177	17.3
148.05325	14.9
148.08531	1.1
149.05620	1.0
152.19041	0.2
161.02374	0.2
161.04561	0.4
163.07666	16.7
164.07954	1.1
165.09229	7.9
166.09581	0.4
191.07152	100.0
192.07498	6.6
204.44812	0.2
208.09798	0.2
209.08205	12.9
210.08492	1.1
217.11954	1.3
226.05150	0.2
247.13417	2.0
248.13748	0.2
268.10181	0.6
277.12265	9.9
278.12653	0.6
339.13907	1.3
340.14087	0.2
341.40344	0.2
399.89551	0.2
451.15240	0.3
460.07938	0.2
469.20370	5.0
470.20752	0.9
481.39951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.4
57.03450	65.1
58.03790	1.4
59.01381	8.1
62.35966	0.3
69.89540	0.9
69.89948	0.6
70.31910	0.2
71.01388	4.8
73.02942	1.0
81.03479	0.7
83.01402	1.0
85.02959	1.7
87.00817	0.3
95.01384	0.5
96.96027	1.0
96.96940	0.3
99.04534	39.0
100.04858	1.1
101.02455	12.1
102.02802	0.3
113.02464	1.6
115.96414	0.3
121.02967	0.6
122.03761	0.4
125.02466	15.3
126.02781	0.7
143.03532	1.0
147.04593	0.8
148.05325	100.0
149.04539	0.4
149.05646	5.1
159.03058	0.6
161.04585	3.8
163.07671	90.5
164.08006	5.3
203.05728	0.5
243.08731	0.8
325.12878	0.4
367.13916	0.8
425.17728	0.3
451.15115	0.5
469.16785	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	469.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49052	0.3
54.10707	0.4
54.54997	0.3
55.01879	0.6
57.03453	1.0
57.37186	0.3
59.01382	100.0
60.01719	1.0
61.68055	0.3
61.98834	0.8
67.62408	0.4
68.86900	0.3
69.64575	1.5
69.64996	1.3
71.01389	14.3
72.99336	0.5
73.02946	5.1
74.99117	0.4
75.00867	0.5
83.01419	1.4
85.02957	6.6
87.00909	0.5
89.02483	1.0
90.64259	0.3
90.79568	0.3
95.01418	1.2
96.96035	0.7
97.02969	0.5
99.00911	2.4
99.92619	0.6
101.02455	9.0
101.03078	0.5
104.60109	0.3
108.02200	0.9
109.02967	1.7
111.00914	0.6
113.02471	7.4
115.92102	0.8
116.92864	2.3
120.99698	0.5
125.02491	0.7
127.05280	0.3
129.01981	0.5
133.02995	0.7
135.04549	1.8
137.02460	0.7
137.81454	0.4
143.03549	0.9
158.35344	0.4
159.03064	1.6
161.04582	17.6
162.04910	1.0
165.01961	1.9
179.03511	1.7
180.04332	1.2
191.05667	2.3
195.06659	3.1
201.05704	0.5
205.03604	0.5
225.07764	0.7
234.97328	0.4
235.08276	2.0
261.04169	0.7
289.07593	0.4
302.80359	0.4
306.65189	0.5
306.93985	0.4
307.08243	0.5
409.17120	10.1
410.17801	0.9
480.34216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
60.01713	0.5
61.01815	0.8
61.98832	100.0
62.98529	0.2
69.58305	1.5
71.01402	0.5
89.02470	0.4
98.20601	0.3
101.02464	0.2
109.02982	0.3
119.03561	0.3
123.04510	0.2
125.02493	0.3
135.04594	0.4
137.02480	0.6
138.02017	1.5
146.29430	0.2
151.03993	0.3
165.01953	5.2
173.04546	0.2
179.03561	1.1
180.04303	3.3
187.07726	0.3
188.08098	0.3
191.05682	0.5
192.06053	0.3
194.05829	0.4
195.06641	6.1
210.05347	0.5
225.07684	1.9
232.10583	0.2
243.08757	0.4
261.04178	0.4
289.07150	1.0
315.08884	0.3
361.12863	0.3
421.14874	1.3
434.97913	0.2
468.16177	0.4
469.17340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	40.5
58.00571	0.8
58.65521	0.7
59.01381	25.0
61.98832	12.2
65.13921	0.7
65.50618	0.7
67.01877	2.0
69.03434	1.1
71.01385	9.3
71.05663	2.3
72.99300	1.6
73.02962	1.6
75.00869	0.9
81.03468	1.2
83.01377	0.8
83.05048	1.2
85.02975	6.9
87.00903	3.9
89.02469	3.5
93.03468	12.8
97.06599	1.0
99.04533	20.1
101.01843	1.4
101.02454	11.4
109.02974	2.6
111.04527	2.8
113.02519	1.0
116.92874	1.7
125.02457	8.6
127.04009	1.3
133.03001	1.8
134.03767	26.3
135.04556	6.1
136.01633	0.9
137.02461	1.2
145.07748	4.5
151.04016	1.2
155.03532	1.8
159.04517	1.1
159.09200	1.3
160.06432	13.5
161.04585	8.7
161.07220	40.2
162.07555	2.5
171.10274	2.7
173.04567	10.0
173.05997	1.2
173.10818	2.1
174.06847	3.7
175.08788	28.8
175.10315	1.4
176.09085	1.5
177.01959	2.4
178.02748	5.4
179.03537	2.8
185.10754	1.1
187.07588	2.8
187.09055	3.7
189.06714	71.1
190.07104	3.8
191.05629	86.8
192.05994	4.0
192.07562	0.9
201.10390	6.9
202.06383	2.5
203.08275	31.3
203.11880	5.0
204.08638	1.6
205.01442	1.2
213.09158	2.2
217.09880	1.0
221.85284	0.7
229.09842	18.7
230.10109	1.7
231.10275	4.8
243.12300	2.7
255.03004	1.3
257.08133	6.7
261.50925	0.8
273.03018	1.3
275.09195	9.4
276.09796	1.1
277.11890	2.9
287.10226	0.9
293.10294	31.1
294.10611	1.7
302.03183	1.1
303.03735	1.3
304.03928	1.6
305.11432	56.7
306.11688	6.3
323.12485	100.0
324.12839	11.0
332.35382	0.7
357.93826	0.7
365.13544	13.9
366.13785	1.8
405.17004	3.0
407.07660	3.2
407.19296	2.0
408.08270	1.2
449.14441	12.6
467.09744	4.0
467.15915	16.0
468.16403	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	467.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02716	0.1
55.42612	0.1
59.01376	0.2
61.98830	0.6
63.02397	0.3
65.00027	0.2
65.00338	0.5
67.92136	0.1
69.87783	0.1
71.01353	0.1
81.03439	0.1
83.01405	0.4
87.04510	0.2
88.98824	0.8
95.01405	0.2
98.19764	0.2
101.03994	0.2
101.06057	0.2
107.01389	1.1
111.04519	0.2
113.04005	0.2
117.03461	0.4
117.04258	0.1
119.01420	1.0
119.05030	0.3
124.01706	0.1
129.03473	0.4
133.02948	0.5
135.00951	0.2
135.04442	0.1
137.06096	0.1
141.03500	0.1
145.02956	0.9
147.04509	0.6
151.00380	2.5
153.67244	0.2
157.02957	1.4
158.03687	0.3
159.00908	0.7
161.02449	1.0
163.04045	0.2
173.02483	1.5
173.99582	0.2
174.03116	0.3
179.03430	0.2
185.02435	1.5
186.03172	0.4
190.02681	0.3
194.05826	0.3
201.01938	9.0
202.02669	1.9
209.08212	0.4
213.01920	0.4
214.02695	0.4
215.03262	0.2
229.01413	40.9
230.01889	4.2
231.02538	0.2
257.00906	100.0
258.01630	85.9
259.02069	7.5
304.37631	0.2
365.19690	0.3
381.17886	0.1
449.08728	0.3
467.09897	1.1
467.26987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04688	0.1
59.01368	0.3
61.98827	0.7
63.02423	0.4
65.00298	0.6
65.87507	0.1
66.85479	0.1
69.42709	0.1
69.43045	1.4
70.17850	0.1
71.01365	0.1
72.32035	0.1
83.01393	0.2
84.74221	0.1
88.98824	1.5
93.03469	0.2
95.01410	0.3
101.06091	0.3
107.01386	1.0
109.02936	0.1
111.04544	0.3
113.02431	0.2
117.03466	0.4
119.01407	1.2
119.05024	0.2
123.04462	0.2
129.03496	0.5
131.01387	0.2
133.02969	0.6
141.03519	0.2
143.01442	0.2
145.02948	1.1
146.03693	0.1
147.00870	0.1
147.04547	0.5
148.01631	0.2
151.00397	2.6
157.02954	1.4
158.03706	0.3
159.00925	0.8
161.02464	1.2
163.00398	0.2
163.04001	0.1
172.01689	0.2
173.02461	1.6
174.03180	0.6
176.04829	0.2
179.03450	0.2
185.02480	1.3
186.03206	0.4
187.00444	0.2
189.01956	0.2
190.02737	0.2
191.05588	0.1
194.05913	0.2
201.01955	8.8
202.02635	1.9
203.03149	0.1
209.08070	0.3
213.01941	0.2
214.02725	0.6
229.01425	42.3
230.01874	4.7
231.02466	0.1
257.00922	100.0
258.01642	93.8
259.02087	8.3
272.03522	0.1
290.18378	0.1
365.19696	0.3
449.08789	0.2
457.65009	0.1
467.09805	0.9
467.26520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.1
57.37830	0.1
59.01385	1.9
60.01730	0.2
61.98832	100.0
62.94645	0.1
71.01378	0.7
71.06651	0.1
72.01717	0.2
72.99332	0.2
75.00877	0.2
83.05081	0.1
85.02945	0.7
85.74256	0.1
87.00907	0.2
89.02454	0.7
93.03468	0.6
101.02464	0.4
111.04591	0.2
113.02505	0.4
119.03519	0.3
125.02458	0.3
127.04103	0.1
134.03708	0.1
135.04552	0.2
137.02547	0.2
146.03731	0.2
147.04530	0.2
149.09691	0.1
155.03535	0.2
158.03748	0.2
159.04521	0.3
172.05339	0.3
173.04588	1.3
173.06117	0.4
174.03305	0.2
175.07721	0.4
176.04817	0.5
177.05443	0.2
177.09209	1.5
179.05798	0.1
187.04100	0.3
187.07664	2.8
191.05627	5.0
192.06026	0.2
202.06377	1.0
203.07184	0.2
203.10820	0.3
205.08714	1.0
213.09229	0.2
215.07175	0.2
230.74002	0.2
231.10258	1.5
242.14890	0.4
243.15091	0.2
244.15343	0.2
249.11288	2.8
257.08325	0.1
275.09259	3.6
287.13757	0.2
293.10251	1.0
304.14758	0.3
307.99277	0.1
385.36621	0.2
392.43253	0.1
405.20612	0.2
406.21341	1.2
407.22272	0.2
449.14438	0.9
466.19638	0.3
467.08676	0.3
467.15503	3.0
467.21567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2649
Annotation	Kleinioxanthrone 2
Peak:m/z	Relative Intensity
59.01360	0.5
61.08015	0.3
61.98836	0.7
62.26827	0.4
63.31295	0.4
64.93077	0.3
65.15714	0.3
69.39835	3.1
69.40255	1.2
76.39330	0.3
79.01904	0.5
82.72127	0.4
84.20888	0.5
89.08758	0.3
92.39041	0.4
103.78551	0.3
111.04520	0.6
119.05046	0.7
121.02952	0.6
123.04554	0.9
145.02977	7.7
146.03265	0.5
147.04527	0.5
149.02452	1.0
150.03235	1.4
157.06635	0.7
163.00418	0.5
164.01097	0.4
177.00444	0.7
177.01932	7.7
178.02560	1.1
191.03500	2.0
200.04823	0.4
211.07611	1.7
213.05481	0.8
214.06343	1.2
217.12241	0.5
225.09160	0.7
227.07143	7.0
228.07762	1.0
241.05089	5.2
242.05847	7.4
243.06456	1.7
255.06622	64.1
256.07181	12.1
257.07397	1.8
261.11343	1.7
267.06696	0.5
269.08173	8.9
270.08588	1.3
319.08994	0.4
325.14462	2.7
326.15161	1.0
339.15985	7.1
340.16431	0.9
353.13867	2.2
353.17593	1.3
363.16019	0.9
381.16907	0.8
395.18558	2.7
396.19409	6.3
396.24384	0.3
397.19934	1.1
421.27271	0.4
429.26324	2.2
465.26407	100.0
466.26822	18.5
466.33572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06364	0.2
59.01372	0.9
61.98832	100.0
71.01412	0.3
71.72023	0.3
78.91912	0.2
78.95935	0.3
80.91692	0.8
81.68874	0.1
87.00896	0.2
89.02456	0.4
93.03470	0.9
96.90165	0.1
101.02466	0.2
109.02961	0.2
116.01199	0.1
121.03004	0.2
137.02481	0.2
173.04610	0.3
177.01978	0.2
178.02760	0.3
191.05682	0.3
223.09854	0.6
244.04044	0.2
255.02914	1.3
256.03445	0.3
259.02658	0.3
271.02509	0.3
273.04031	0.3
407.03946	0.2
435.09625	0.2
449.08716	0.2
449.14844	0.4
466.10822	0.4
466.20038	0.3
467.09891	1.2
467.15543	0.3
467.26468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2495
Annotation	CHEBI:83024
Peak:m/z	Relative Intensity
50.81619	0.2
57.03448	2.0
59.01375	3.2
61.98826	0.6
68.99824	0.3
69.03454	0.7
71.01373	1.5
71.04462	0.5
71.04774	0.3
73.02954	0.5
74.61850	0.3
77.38485	0.3
81.03469	1.3
83.01389	1.1
83.05048	1.7
85.02965	1.1
85.06598	3.5
87.04522	5.1
95.01427	0.6
95.05041	1.8
96.02173	0.6
97.02978	1.0
97.06600	0.7
97.29641	0.2
98.03756	0.3
99.04514	0.3
99.23331	0.2
108.02217	0.5
109.02977	0.5
109.06594	0.5
111.04536	9.2
111.08166	0.9
113.02470	0.3
113.06112	1.4
121.02946	0.6
121.06613	1.0
122.03735	0.7
123.04538	1.0
123.08170	1.3
125.02472	0.3
125.06132	0.3
127.03955	0.3
127.07733	0.3
129.05580	0.5
130.17181	0.2
135.08221	0.5
137.02481	0.4
137.06085	0.5
138.03210	0.3
139.07668	2.6
141.05577	0.7
141.09242	0.5
147.06664	1.6
147.08215	0.4
149.02477	0.6
149.06088	0.5
149.09731	1.0
150.03284	0.5
151.04050	0.7
151.07719	1.3
151.11308	0.6
155.07085	0.3
159.06685	1.5
161.12465	0.2
162.24730	0.3
163.03984	0.3
163.11276	0.5
165.05577	1.8
165.09143	0.4
166.06343	0.4
167.07138	0.5
177.02032	0.6
177.05641	0.7
177.09271	0.3
178.06392	0.9
179.07156	0.9
181.05089	0.9
182.02316	0.6
183.06648	3.3
184.07062	0.4
190.10007	0.7
191.03505	2.0
191.07159	2.5
192.07971	4.9
193.08653	0.9
193.12357	1.7
195.06657	1.6
203.14362	0.4
205.05002	0.4
206.05675	0.3
211.13373	1.5
219.06686	1.8
220.07446	0.3
221.08304	0.4
223.06155	1.3
223.13359	0.3
224.06990	1.6
231.06601	0.5
234.08983	4.2
235.09575	0.5
237.14902	0.7
245.08122	1.3
245.11722	0.5
245.15459	0.3
247.13397	1.6
253.10849	2.3
261.14975	0.4
265.14438	2.9
271.11871	5.8
273.18317	0.3
277.14459	0.5
287.12598	0.3
289.14478	0.4
290.15186	0.9
291.19629	0.5
297.18530	0.5
299.16458	0.6
315.19659	1.3
317.17584	12.6
318.17963	1.9
319.19101	1.3
331.19199	2.5
333.16965	0.4
333.20697	1.0
335.18655	2.8
341.17621	0.8
345.16846	0.4
353.19705	3.8
354.20154	0.5
359.18652	14.1
360.18866	1.8
361.20251	0.2
362.17218	2.0
363.17709	0.3
377.19794	3.9
378.20102	0.7
403.24805	0.4
429.22876	3.4
430.23053	0.5
447.23819	3.5
448.24539	0.6
465.24930	100.0
466.25290	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	465.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03207	0.6
57.03450	6.0
57.79253	0.5
59.01365	1.8
61.98821	2.5
64.46979	0.4
64.59257	0.5
68.99814	1.0
69.03442	0.8
76.18231	0.4
78.95876	0.6
81.03469	0.7
83.05022	2.1
85.02936	0.9
85.06079	0.7
85.06602	13.4
87.04532	3.1
93.03464	6.3
95.01402	0.7
95.05045	3.0
97.02972	1.3
97.06594	1.3
98.19878	1.5
101.06060	0.6
109.02943	1.6
109.06588	1.2
111.00951	0.6
111.04537	23.0
111.08186	3.6
111.29314	0.5
112.04845	1.3
113.06142	1.1
121.02966	1.3
121.06577	1.6
122.03746	1.0
123.00889	0.9
123.04510	0.6
123.08159	0.9
124.01601	0.8
124.05296	0.6
125.02473	3.0
125.06089	1.4
135.04529	0.6
135.08209	0.8
137.02467	9.8
137.09697	0.7
139.04041	2.3
139.07672	8.9
139.11316	1.9
141.98904	0.5
150.03220	1.4
151.00368	1.4
151.04030	2.1
151.11327	0.8
152.99605	0.8
153.09267	0.6
155.03520	1.8
161.06071	0.5
163.07600	0.8
163.11336	0.8
164.01117	0.9
165.01949	7.1
165.05592	2.5
166.06332	1.0
167.10782	3.4
173.05928	0.5
177.05576	0.9
177.09213	0.7
179.03517	0.9
179.07149	1.2
180.04216	0.7
181.05070	2.0
181.12283	0.6
184.03769	0.7
191.05463	0.7
191.07147	8.7
191.10750	4.5
192.07626	0.6
193.05017	1.6
193.08760	0.6
193.12358	0.7
194.05847	5.4
195.06531	1.2
198.05330	2.7
205.08687	0.7
205.12500	0.7
207.06572	1.2
207.13811	0.5
208.07147	0.5
209.09846	0.9
209.11829	15.6
210.12141	1.5
211.13329	0.8
217.08687	0.8
220.07365	0.6
235.09821	1.1
238.61548	0.5
247.20746	2.3
249.11292	1.4
257.15610	0.5
259.06055	0.5
263.12875	0.8
264.13242	0.6
265.14371	0.5
273.18607	0.6
275.12915	1.3
281.13919	2.7
288.06369	1.9
288.95728	0.5
291.12274	1.2
291.19574	1.9
292.19916	0.6
303.04114	0.5
307.11871	1.4
307.19153	0.9
309.20728	13.9
310.20956	1.5
317.17441	0.7
323.18607	0.7
325.12964	1.0
331.18921	1.6
333.17010	3.2
333.20645	1.0
334.17670	1.3
335.18481	1.6
349.16348	0.7
350.17178	0.6
351.18121	100.0
352.18478	13.9
353.19281	0.6
359.18958	0.8
366.92624	0.5
377.19629	2.2
379.17612	9.6
380.18100	1.4
396.17905	0.6
403.24945	9.0
404.25259	1.6
419.24405	1.8
421.26004	0.8
433.22333	0.9
447.18350	0.7
447.23935	9.5
448.24591	6.2
449.24380	0.7
465.10309	0.7
465.18961	1.6
465.24588	15.1
466.25391	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03445	3.7
58.00592	2.5
59.01382	82.6
60.01684	1.0
61.98835	15.1
69.79397	6.1
71.01386	38.0
72.99316	3.4
73.02951	7.1
75.00890	3.9
81.03477	1.0
83.01394	3.2
85.02962	16.1
87.00864	3.7
89.02452	25.2
93.03467	3.2
95.01395	3.1
97.02962	2.0
99.00877	2.6
99.04510	1.1
101.02458	28.7
109.02965	1.7
109.06608	1.0
113.02462	18.1
113.54827	0.8
118.45048	0.8
119.03515	10.6
119.05012	0.8
121.02980	0.8
123.04542	1.3
125.02458	6.1
127.07669	1.2
131.03526	1.7
135.04575	2.3
137.02432	1.6
143.03513	3.1
146.03743	0.9
147.04514	1.0
149.02400	1.3
151.00328	1.0
151.04053	1.8
153.09206	1.1
159.02985	2.6
161.02469	1.8
161.04585	19.8
163.04007	1.6
164.01262	0.9
165.12856	0.8
166.02663	1.1
167.10753	1.2
170.00467	2.0
171.06650	1.4
172.05342	0.9
173.04567	1.8
174.03229	0.9
175.04042	1.0
177.01979	1.1
179.05630	4.8
191.05637	30.2
192.05989	3.1
199.04068	2.3
200.01506	3.1
215.03911	5.3
216.04037	0.9
223.13470	1.0
225.14893	1.3
227.12914	2.9
229.08676	1.4
241.14442	1.2
243.02975	1.9
243.12357	1.4
243.15985	16.7
244.16339	1.7
259.02338	1.9
273.07629	3.9
285.04123	4.0
285.13449	1.1
289.07275	3.0
291.08713	2.7
301.07269	1.1
303.05249	1.3
303.14471	11.5
305.05173	0.8
329.08679	1.1
353.08691	1.4
353.85464	0.9
377.09052	4.7
405.21323	100.0
406.21600	13.2
465.13013	2.2
465.19797	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41421	0.3
53.69882	0.3
57.03440	0.8
58.00595	0.4
59.01382	100.0
60.01721	1.3
69.94250	2.0
71.01389	6.9
71.01765	0.6
83.01445	0.3
85.02969	1.4
87.00912	0.5
89.02460	11.4
90.07079	0.3
95.01424	0.4
101.02460	4.8
101.03090	0.4
113.02473	3.5
119.03526	5.8
125.02463	2.1
131.03534	1.0
143.03528	1.4
149.02463	0.5
149.04652	0.5
151.00386	0.5
153.01929	0.4
153.69441	0.3
161.04594	2.3
167.10844	0.7
177.01933	0.4
179.05635	5.5
191.05598	3.4
192.06113	0.5
247.28998	0.3
285.04227	1.3
302.99252	0.4
303.05246	1.2
405.21313	8.3
406.21909	0.9
449.20535	0.5
465.23630	1.8
490.20459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22347	0.2
56.71081	0.2
57.03458	0.8
58.00603	0.4
59.01383	100.0
60.01725	1.1
70.73579	0.7
70.73919	0.2
71.01387	6.8
72.99316	0.3
73.02956	0.5
78.45704	0.2
85.02979	0.8
87.00854	0.4
89.02457	11.0
95.01421	0.4
101.02461	5.1
101.03089	0.4
113.02470	4.2
113.03247	0.3
119.03526	5.6
125.02469	0.4
131.03537	0.9
143.03531	1.4
149.04585	0.4
149.09735	1.0
153.09293	0.8
161.04581	2.5
161.38542	0.2
166.80171	0.2
167.10791	2.2
167.11879	0.2
168.11168	0.3
179.05638	4.8
180.05969	0.3
191.05684	0.7
210.08740	0.2
225.15068	0.6
243.16013	0.5
249.13374	0.2
285.04080	0.4
303.05197	0.3
370.30795	0.2
405.21362	5.7
406.21884	0.7
449.20096	0.3
460.58716	0.2
465.23438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.01377	1.5
60.87694	0.6
60.99305	12.8
69.57131	3.3
69.57555	2.3
78.95882	0.8
82.73825	0.7
85.06590	1.7
86.06968	0.7
87.04536	2.0
88.98817	100.0
89.99146	1.4
95.05054	1.3
97.06598	2.4
98.06962	1.6
109.03006	1.4
111.04533	4.1
111.08163	3.2
112.04877	2.3
112.08496	2.0
113.05013	1.0
123.08121	0.6
131.20892	0.7
135.08192	0.6
137.02501	0.9
139.04044	1.0
139.07639	1.2
145.03000	1.1
146.03354	0.7
147.08202	0.8
150.09969	0.7
167.07191	0.7
192.11258	0.8
193.11586	0.6
195.09236	1.4
199.79739	0.6
219.61119	0.6
222.08673	1.4
223.08676	1.0
235.13400	2.4
237.07599	1.1
255.06517	0.9
256.07059	1.6
257.07281	1.2
267.06720	1.3
268.07028	2.8
269.07169	2.8
269.24954	2.4
274.18866	0.7
319.15790	0.7
321.16507	0.7
346.23660	1.0
347.24240	0.9
349.70706	0.6
364.21362	1.1
374.92615	0.6
379.17728	1.7
388.24844	0.8
389.25110	0.8
397.09546	0.6
430.23032	1.3
431.23367	4.4
432.23663	14.2
433.23981	29.6
434.24521	1.0
464.26053	7.7
465.26190	38.7
466.26318	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	465.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.49106	0.3
59.01381	2.2
61.98835	1.1
69.03460	0.3
71.01387	5.2
71.01762	0.4
71.72384	0.4
73.02941	1.6
74.14330	0.2
81.03471	0.6
82.69828	0.2
83.01394	0.9
85.02976	1.6
87.00935	0.3
89.02464	2.0
93.03454	0.4
95.05066	0.4
97.02972	0.6
99.00922	1.2
101.02452	3.5
101.06077	0.3
107.05053	2.7
109.02982	1.2
113.02455	2.3
121.02946	0.3
122.03767	1.8
123.04520	0.4
123.08155	1.3
125.02456	3.0
130.18228	0.3
131.08681	1.7
135.04546	54.7
136.05399	4.5
137.02461	5.1
137.06062	0.7
143.03493	0.4
145.02957	0.3
146.03752	0.6
147.04527	1.1
147.08151	0.3
148.05354	1.2
149.04565	0.6
149.06071	1.1
151.04005	0.5
154.02791	0.4
157.06599	0.8
159.03024	0.9
159.04533	2.6
160.05319	2.9
161.04572	4.6
161.05876	0.6
162.04944	0.3
162.06978	0.4
164.01204	0.6
164.04822	7.4
165.01953	7.7
165.05150	0.3
166.02232	0.4
166.25975	0.3
167.03503	1.8
171.08156	1.6
171.13925	0.6
173.06071	1.7
174.06876	23.7
175.07654	7.8
176.04747	0.4
176.08174	0.9
179.03496	0.7
184.05151	0.3
187.07710	0.8
188.08441	1.0
189.09218	5.7
190.09688	0.4
200.59570	0.2
201.09276	0.5
203.07138	0.6
229.08731	0.4
231.14096	0.3
233.06760	0.3
235.64171	0.2
243.13853	0.4
243.19627	0.9
244.14639	1.7
245.15587	0.6
257.15417	0.7
258.16232	100.0
259.16919	41.2
260.17377	4.5
263.16537	0.3
271.17007	0.4
273.14966	2.9
283.16934	0.7
284.09000	5.8
286.15732	0.5
291.16064	1.2
293.08746	0.5
297.14890	0.7
298.15674	0.5
301.18097	5.9
302.18527	0.9
309.14966	1.0
313.18005	1.2
323.12659	0.3
341.10236	1.2
367.11816	1.4
421.22324	14.8
422.22653	2.8
465.20901	8.5
466.21039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01379	26.9
60.01711	0.4
61.98818	2.3
71.01385	2.4
72.99313	8.5
73.02950	0.5
75.00877	17.6
84.58205	0.3
85.02959	0.6
85.34847	0.3
87.04530	0.5
88.22594	0.3
89.02460	1.1
101.02431	0.8
113.02444	0.3
125.02450	1.1
129.99887	0.3
165.12881	0.6
179.14412	0.4
191.05621	1.8
209.11897	1.0
223.13257	0.4
224.76456	0.3
227.12881	21.2
228.13321	1.9
229.08548	0.5
241.14432	4.2
243.12343	16.8
244.12698	0.9
247.09566	0.3
257.13925	1.1
267.12366	0.8
272.03180	0.5
273.07700	0.4
285.03922	0.7
285.13431	6.6
286.13815	0.7
303.14484	100.0
304.14838	9.1
315.05051	0.7
345.05884	0.9
345.15530	3.3
375.07230	0.8
405.17569	0.9
444.28610	0.4
447.18701	0.4
451.14078	0.4
465.09869	1.6
465.19745	11.0
466.20132	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	465.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01378	33.9
61.98843	0.5
71.01379	2.5
72.99317	8.6
75.00879	21.2
76.01237	0.6
83.64941	0.4
89.02432	1.5
98.19839	0.9
101.02457	1.2
113.02438	0.7
142.96280	0.5
165.35909	0.5
191.05449	0.5
209.11861	1.3
213.81030	0.5
225.11211	0.6
227.12895	28.8
228.13210	2.2
241.14490	5.6
243.12370	16.4
243.15160	0.7
243.16002	1.0
244.12659	1.6
257.13873	1.4
285.13425	9.4
286.13708	1.2
303.14487	100.0
304.11496	0.6
304.14850	9.1
305.93390	0.5
328.30124	0.5
345.15576	3.6
373.59747	0.6
381.87387	0.5
405.17142	1.1
405.21887	0.7
465.19788	21.2
466.19989	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
57.33628	0.7
58.00578	1.2
59.01376	8.6
61.98805	0.9
65.99003	0.6
70.73472	2.1
71.01381	4.6
73.02957	0.9
76.82371	0.6
83.01396	0.8
85.02947	3.7
87.00884	4.7
88.98770	0.6
89.02451	1.7
93.03463	1.0
96.96002	1.1
99.00858	0.6
101.02459	2.1
109.02980	1.1
113.02459	1.5
115.00390	1.0
123.00898	0.9
125.02478	6.0
129.02095	0.8
133.01471	2.8
135.04527	1.6
136.01703	0.8
137.02452	1.0
149.02495	1.2
151.00421	1.0
151.04042	0.9
152.04742	0.7
153.01918	1.5
153.05681	0.6
159.03101	0.6
161.02486	0.9
161.04597	4.5
164.01161	1.9
165.01944	26.1
166.02351	1.1
169.01474	0.8
173.04581	1.0
175.03967	1.2
177.01935	5.8
178.02458	0.7
179.03522	44.3
180.04291	30.1
181.01508	0.6
181.04684	2.2
191.05638	32.1
192.04286	2.5
192.06023	1.9
193.05075	0.7
194.04475	0.4
194.05858	19.7
195.06644	100.0
196.06984	5.8
207.06598	1.4
210.05286	2.0
211.26772	0.6
223.03780	0.6
225.07684	18.0
226.07991	1.3
229.08597	0.7
237.07719	1.0
258.01578	1.4
273.07672	1.3
275.05688	1.5
285.04071	3.0
303.05197	4.2
304.33408	0.7
327.34775	0.6
337.62048	0.6
353.08762	5.9
354.09634	0.7
357.11905	27.3
358.12289	3.2
384.89066	0.6
387.12753	0.6
391.20895	0.6
405.21207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98820	0.8
68.04469	0.1
71.01379	0.7
72.99291	0.2
73.02945	0.6
83.01376	0.3
85.02943	0.4
89.02444	0.5
101.02444	0.5
107.01381	0.1
109.02985	0.2
113.02406	0.3
118.54990	0.1
121.62689	0.1
123.04539	0.3
125.02455	0.4
151.00377	0.5
159.04565	0.3
161.02521	0.3
165.01944	0.3
173.06108	0.4
177.01956	0.4
183.04572	0.2
185.06097	0.2
186.03246	0.2
187.03999	0.4
191.04015	0.2
191.05597	1.2
201.05592	1.7
203.03526	0.3
204.81696	0.2
205.05043	0.7
209.11768	0.3
209.97446	0.2
210.12180	0.2
213.05618	0.3
214.02702	0.4
215.03406	0.3
217.05029	0.6
227.03525	0.4
227.12846	0.2
228.04385	0.2
229.05037	3.1
229.14435	0.2
230.02242	0.8
230.05338	0.4
231.02834	0.7
241.05045	0.4
242.02339	0.2
243.02917	0.7
244.03738	0.7
245.04594	0.9
255.03006	0.7
256.03604	0.4
257.04520	1.0
258.01657	1.4
259.02310	0.3
269.04456	0.5
271.02557	0.8
272.03214	2.0
273.04022	48.0
274.04352	4.1
281.04657	0.3
283.02429	0.4
284.02826	0.1
285.04037	14.2
286.04361	1.3
295.02670	0.2
299.05630	0.2
300.02771	0.4
301.03360	0.8
302.03516	1.5
303.05093	100.0
304.02557	0.3
304.05438	9.7
323.02051	0.2
333.19226	0.5
345.06116	0.9
405.21213	0.3
447.07080	0.8
465.10266	11.2
465.23438	0.6
466.10611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01852	0.5
57.03450	7.8
58.00603	0.8
59.01381	36.5
60.01699	0.5
61.35912	0.5
61.98840	2.5
63.02402	1.4
65.00315	3.3
67.84402	0.5
68.99826	0.4
69.90007	3.6
71.01387	15.1
72.99317	1.0
73.02955	0.8
75.00912	0.8
81.03484	0.7
83.01390	6.2
85.02967	4.2
87.00896	1.4
89.02456	14.5
90.88448	0.5
93.03489	2.0
95.01395	1.3
97.02957	1.0
98.19923	0.7
101.02454	7.8
104.43314	0.5
107.01393	6.2
108.02243	0.5
108.69013	0.6
109.02965	5.2
111.00878	0.7
111.04532	1.0
113.02466	5.6
116.86640	0.5
119.03509	6.6
119.05048	0.9
121.02984	1.9
123.04549	5.2
124.01698	2.1
124.04906	0.6
125.02467	100.0
126.02784	3.5
131.01399	0.8
132.15413	0.5
137.02477	4.2
139.04025	4.1
143.03494	1.6
147.04588	1.5
149.02466	14.6
150.03128	1.9
151.00397	28.5
151.04004	3.4
152.01202	2.6
153.01959	28.1
154.02316	1.4
161.02458	1.7
161.04607	4.0
161.05952	1.0
163.00421	1.0
163.04066	1.3
165.01979	1.2
166.02768	1.0
167.03569	2.4
167.10817	1.4
169.01413	1.3
171.04544	0.9
172.05264	1.3
173.04642	1.2
173.06053	1.1
174.03227	3.8
175.00391	6.0
175.04019	12.3
176.00932	0.9
176.04401	0.5
176.57974	0.5
177.01945	16.6
177.57924	0.5
178.02324	0.9
178.99883	21.1
179.03409	1.0
179.05614	4.7
180.00211	0.9
181.01440	13.5
182.01686	0.6
185.06119	0.6
188.04807	2.5
189.05615	5.0
191.03561	2.2
191.05626	9.9
192.05888	0.9
193.01456	1.6
194.57504	0.5
195.02975	2.8
199.04048	6.3
200.04527	0.8
201.01958	1.9
205.01398	1.4
207.02975	0.6
213.05545	1.3
215.03532	0.7
215.76341	0.6
216.04274	0.9
217.05051	6.2
219.03046	0.8
221.01302	0.5
223.02432	0.8
229.08691	3.2
231.06531	1.1
240.04518	0.6
241.05096	5.7
243.03006	1.6
243.16058	1.8
247.09790	1.0
256.03741	1.2
257.04510	1.2
258.01685	4.8
259.02246	0.7
259.06100	3.7
271.06195	0.6
273.07660	7.4
274.07922	1.0
275.05600	23.1
276.02634	0.5
276.05905	1.8
284.03195	1.0
285.04050	54.9
286.04361	5.0
289.07217	0.9
291.08832	0.9
299.05637	6.1
300.05948	1.1
303.05115	92.0
304.05432	9.4
309.04080	1.7
313.05545	1.3
315.07541	0.6
327.05206	2.1
341.05078	8.0
342.05750	0.6
343.06729	6.5
405.21317	22.0
406.21378	2.9
437.10822	2.0
447.09418	3.4
465.11258	2.8
465.19708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2448
Annotation	N(3)-Methyladenine
Peak:m/z	Relative Intensity
57.03436	0.3
57.55424	0.2
59.01380	0.5
61.98840	0.3
62.96419	0.5
69.67000	1.9
78.95934	0.8
79.01920	0.8
97.02961	0.2
102.03532	0.2
107.01411	0.2
107.05054	0.3
109.02965	1.1
111.04551	0.4
115.07777	0.2
120.04557	0.4
121.02984	0.4
121.61289	0.2
122.02494	0.6
122.03756	0.6
123.04562	0.8
125.02489	0.4
125.06114	0.3
136.01620	0.2
136.98830	0.3
137.02460	1.6
138.03270	0.2
146.02509	8.1
147.02899	0.3
147.04601	0.7
149.02475	2.3
150.03250	7.2
151.00386	0.7
153.01978	0.3
158.06146	0.7
163.00385	0.7
163.04036	0.5
164.01175	0.3
165.01976	0.5
166.02870	0.2
167.03493	0.4
173.31163	0.2
177.01955	11.8
178.02740	6.3
179.03331	0.8
184.07719	0.6
189.01901	1.5
191.03503	4.0
191.05153	0.4
192.03873	0.2
197.00438	0.7
200.03656	0.6
200.07059	0.3
201.04297	0.2
203.03641	0.2
210.01732	1.0
211.06076	1.2
212.07155	1.3
214.05083	0.6
215.05843	0.8
221.08113	0.3
226.05223	0.5
226.08791	0.4
226.12282	0.3
227.05734	0.3
228.06680	6.4
229.07387	2.2
232.80016	0.2
240.06668	0.6
241.07445	0.7
242.04613	2.9
242.08159	0.3
243.05331	2.6
244.06001	0.7
245.08176	0.6
254.04588	0.4
256.06155	67.6
257.06818	22.8
258.07297	1.6
259.09772	0.6
268.06146	4.9
269.06635	0.9
270.07727	8.9
271.08066	0.6
282.07703	0.9
289.05988	0.3
296.09384	0.3
299.13101	0.4
300.59052	0.2
301.03131	0.6
301.10678	0.3
306.17953	0.3
312.08765	0.5
313.10013	0.3
316.13220	0.6
322.10934	0.8
324.12442	0.7
324.15799	0.3
325.16171	0.7
338.13956	0.9
344.67136	0.2
351.18137	0.4
367.17764	0.3
378.17151	1.2
380.15070	0.7
385.20309	0.5
394.16464	2.5
395.17133	2.4
396.17487	0.4
464.24371	100.0
465.12857	0.8
465.24738	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	463.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
57.49190	0.2
63.39954	0.2
64.21629	0.2
71.05012	0.5
77.30486	0.2
79.01933	0.3
83.05048	1.2
84.05345	0.4
85.06604	0.5
87.04508	1.0
97.02948	0.3
98.20753	0.5
101.06078	0.3
111.04551	3.1
111.08106	0.4
123.04549	1.1
123.08181	0.6
138.03323	0.3
139.04044	0.3
151.04034	5.3
165.09200	0.5
165.12830	0.4
166.02737	0.4
177.01971	0.8
177.09221	0.7
179.03503	0.7
179.07062	0.3
180.04305	0.9
189.12846	0.3
191.10712	0.3
193.08659	1.6
194.98917	0.8
195.06596	0.5
203.07172	2.0
204.07550	0.3
207.06624	4.0
208.07349	2.6
209.08206	4.8
210.08505	0.4
221.08199	86.9
222.08737	9.7
223.09230	0.5
229.35683	0.4
233.08243	0.3
235.09763	2.8
235.17035	0.3
237.07715	0.3
242.52094	0.3
251.12849	0.3
253.13451	0.4
254.11125	0.3
294.14069	0.3
301.03488	0.3
301.14481	0.7
319.15552	6.1
320.16025	0.9
324.15427	0.3
337.16779	1.4
351.14520	0.3
351.21878	0.3
363.18039	0.7
377.19714	1.0
393.19080	0.6
394.19910	4.7
395.20514	0.7
445.26138	0.4
463.27005	100.0
464.27380	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	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65601	0.2
59.01379	17.0
60.01709	0.4
61.98831	100.0
62.32783	0.2
62.98561	0.2
64.51731	0.2
64.85989	0.2
69.94700	1.1
70.81483	0.3
71.01382	1.7
73.02952	0.6
74.08112	0.2
75.00885	4.6
75.68466	0.2
79.23187	0.2
80.24213	0.2
85.02970	0.7
89.02470	0.9
99.00844	0.3
101.02451	1.3
113.02498	0.8
125.02472	0.3
131.56300	0.2
132.66530	0.2
143.71715	0.2
149.19888	0.2
151.00453	0.4
161.04579	0.6
169.12465	0.3
170.12715	0.3
191.05696	0.5
243.15993	0.6
258.26141	0.3
272.02661	0.6
290.11096	0.3
292.78241	0.2
300.02780	0.6
301.03177	1.7
302.03821	0.5
315.18143	2.0
349.29358	0.2
357.19278	0.7
404.40057	0.3
464.09006	1.4
464.23669	0.3
465.09155	0.4
465.27054	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	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54393	0.2
57.03448	0.5
59.01380	16.5
60.01741	0.2
61.98832	100.0
71.01387	2.2
71.43163	0.5
73.02962	0.5
74.52440	0.2
75.00871	0.3
78.95941	0.2
83.01421	0.3
85.02969	1.1
87.04539	0.5
89.02456	0.5
99.00892	0.3
101.02470	0.8
105.15132	0.2
107.01399	0.2
113.02477	0.9
120.01213	0.2
121.02943	0.3
125.02481	0.5
137.02487	0.4
151.00398	0.8
161.04602	0.7
165.01926	0.3
171.14038	0.2
192.00948	0.2
210.12132	0.2
233.42723	0.2
243.03040	0.2
244.03424	0.5
255.02994	0.5
256.03510	0.7
271.02472	1.1
272.02808	1.8
300.02695	1.4
301.03137	3.1
302.03824	1.3
303.04391	0.3
315.18134	1.5
330.23685	0.2
405.12204	0.4
464.09198	2.9
464.22781	0.3
464.28162	0.4
465.09546	0.5
465.25775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2443
Annotation	N(3)-Methyladenine
Peak:m/z	Relative Intensity
55.01886	0.7
57.03432	1.2
57.23756	0.5
57.24048	0.5
59.01340	1.8
65.00307	0.7
71.05021	0.6
71.72057	0.8
71.72426	0.6
83.05010	1.8
84.05340	0.5
85.06567	1.1
87.04482	1.9
109.02870	0.6
111.04494	1.4
112.04813	0.9
119.04936	0.5
120.04519	0.8
122.03750	0.5
123.04510	0.7
123.08170	0.6
125.06055	0.9
136.98718	1.4
137.06081	0.5
139.04050	0.9
140.04280	0.6
145.02954	0.7
146.02499	7.9
147.04474	0.6
149.02367	2.1
150.03242	3.0
151.00330	0.8
151.04025	0.5
153.01872	0.6
157.08589	0.7
158.06058	0.6
163.03841	0.6
164.01112	0.7
177.01949	9.2
177.05473	2.4
178.02750	4.0
178.04149	0.9
189.01843	1.9
191.03537	4.3
191.07030	1.0
214.05142	0.8
221.08226	3.4
222.08487	3.8
223.08737	0.9
226.04990	0.7
228.06676	4.7
229.07330	0.9
229.10741	1.8
236.10063	0.7
241.07339	1.8
242.04543	3.0
242.08168	0.7
243.03197	0.8
243.05315	6.3
244.05792	1.0
253.13536	0.8
256.06152	45.6
257.06781	10.8
259.09625	0.6
267.23224	1.0
268.06149	9.2
269.06479	1.3
270.07700	10.1
271.02359	0.6
271.07928	0.9
272.02682	0.8
282.07587	2.0
288.13647	2.7
289.14316	0.7
295.14456	0.6
300.02649	0.9
301.02982	1.8
304.12894	0.8
316.13110	1.4
320.12430	0.6
320.43570	0.6
322.10635	1.4
338.13770	1.1
351.17947	1.3
378.16913	1.3
380.14645	1.0
394.16217	2.5
395.20386	0.7
432.24356	0.6
464.24185	100.0
465.24634	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
69.47458	2.7
71.05025	9.7
83.05029	1.1
85.02968	0.6
85.06602	3.5
87.04525	2.0
92.43715	0.2
95.05031	0.8
97.06594	0.8
98.20651	0.5
99.04526	0.3
99.08199	0.5
101.06059	0.5
107.08693	0.5
109.02956	1.1
109.06597	0.9
111.04542	4.9
111.08202	0.6
112.04900	0.3
113.06044	0.4
121.06599	0.5
123.04549	0.8
123.08183	1.3
125.02454	3.4
125.05032	0.3
125.06094	0.7
132.61499	0.2
135.08147	0.4
137.02434	0.7
137.06104	0.4
137.09734	2.5
139.03969	0.4
139.07690	0.4
139.11307	3.8
141.05542	0.5
141.09224	0.8
149.02454	0.4
149.09709	0.4
150.06888	0.6
151.00362	0.5
151.04019	1.3
151.07629	0.5
151.11244	0.4
154.10017	0.3
155.10783	0.4
163.04018	0.4
165.05580	1.0
165.09181	0.7
167.10762	1.2
175.07565	0.3
175.11232	0.3
177.05576	0.9
177.09203	0.5
178.06442	0.5
179.03539	0.6
179.07147	3.5
179.10686	0.6
180.04303	0.5
180.07878	0.4
181.05127	0.8
189.05595	0.4
191.10780	1.1
191.14394	1.4
193.08690	0.4
195.06636	21.9
196.06953	1.5
203.07100	0.8
205.15825	0.5
207.06622	1.8
208.07413	0.7
209.08203	13.6
210.08655	0.6
211.13440	0.5
215.12848	0.5
217.09016	0.3
219.06625	1.1
219.13905	0.7
221.08195	18.7
221.15425	2.1
222.08798	3.1
223.09251	0.5
227.12949	0.3
233.08206	0.3
235.09747	16.2
236.10077	1.3
237.07681	2.6
238.08490	0.8
247.09668	0.7
247.13379	5.7
248.13972	0.9
249.14960	0.7
249.18587	0.9
251.12726	0.4
254.11191	0.4
261.11301	0.9
261.18668	1.4
265.11185	0.9
265.14429	28.1
266.14731	2.7
271.02603	0.7
277.17920	0.4
279.12228	0.5
289.14322	0.3
289.21811	0.5
290.22043	0.4
291.22223	0.4
300.02710	1.3
301.03448	0.9
306.14746	0.8
307.15573	0.6
307.22711	1.8
317.14014	1.6
317.17563	0.4
318.14465	0.5
319.15552	0.7
323.14908	2.2
324.15759	3.8
325.15924	0.7
331.15613	0.5
335.14935	2.7
336.15607	0.5
339.18024	0.5
349.16650	0.4
351.21793	12.6
352.22070	1.8
361.11420	0.4
361.16299	0.4
361.23553	0.4
375.21832	1.0
376.18808	0.6
387.22318	0.4
394.19974	7.3
395.20300	1.1
404.10483	0.3
405.19183	0.4
417.26151	0.6
419.27872	0.5
432.47879	0.3
445.26013	3.4
446.26184	0.6
463.26999	100.0
464.27362	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	463.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03172	0.4
57.03449	5.4
59.01365	0.3
68.99814	0.2
71.05029	0.4
71.71707	0.2
71.72037	0.2
73.21483	0.2
79.05552	0.6
83.05027	0.3
85.06602	4.1
86.06947	0.2
87.04526	1.3
95.05019	0.4
97.06625	0.7
101.06110	0.3
105.07084	0.3
107.05025	0.2
109.02963	0.3
109.06579	0.3
111.04536	11.4
111.08170	11.0
112.04914	0.4
112.08511	0.4
113.06103	0.3
121.06638	0.3
123.04553	0.5
123.08178	0.8
125.02524	0.2
125.09737	0.4
129.76782	0.2
135.04547	0.3
135.08174	0.4
136.05310	0.2
137.06133	0.2
137.09753	0.3
138.63901	0.2
139.07649	0.4
145.06613	0.6
149.06158	0.3
149.09743	1.0
151.04059	0.8
151.11264	0.5
163.07660	0.8
163.11314	2.6
164.71893	0.2
165.05565	0.3
165.09224	0.4
165.12846	0.3
167.10803	0.7
175.07639	0.7
175.11285	0.4
177.05516	0.2
177.09245	0.7
178.09882	0.2
178.99728	0.2
179.07106	0.2
181.12341	0.4
187.11427	0.2
189.09204	0.4
189.12868	2.2
190.13184	0.3
191.07207	0.2
191.14505	0.2
193.05083	1.1
193.08694	1.1
193.12350	2.4
194.05841	0.6
195.06657	1.7
197.11852	0.3
198.40135	0.2
203.14377	1.0
205.05139	0.3
207.06616	2.7
207.10347	0.3
207.13939	0.8
208.07237	0.4
209.11862	0.5
211.13356	0.4
215.14424	0.4
217.12363	0.8
219.06604	1.1
221.08214	1.0
221.15491	0.8
225.15018	0.3
233.08121	1.1
233.15530	1.5
237.07690	2.5
237.11386	0.2
238.08305	0.2
245.15533	0.8
247.09760	0.3
247.13527	0.5
249.11491	0.3
251.09288	0.4
255.02989	0.4
261.18634	0.5
263.35629	0.2
265.14435	0.6
271.02423	1.0
273.18610	0.2
279.16135	0.3
279.19629	0.2
281.67886	0.2
285.18661	0.8
289.14264	0.2
291.12512	0.2
293.14084	0.4
293.17584	0.7
300.02780	1.6
301.03384	0.7
303.19699	1.0
305.14127	0.3
307.15555	0.7
317.13953	0.6
319.15686	0.3
323.14957	0.2
323.18665	0.5
335.15063	0.7
337.16486	0.4
343.22931	0.8
349.16678	0.7
350.17224	0.4
351.22040	0.3
361.16553	0.6
361.23877	2.9
362.24115	0.4
364.18851	0.6
377.15897	0.2
377.23395	0.5
387.21774	1.6
389.19870	0.7
394.19922	0.4
401.26978	1.3
405.23059	0.3
413.42474	0.2
419.28098	1.5
433.26382	0.5
445.26157	1.3
463.27057	100.0
464.27423	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	0.3
57.03450	5.4
59.01368	0.7
71.05008	0.4
71.29817	0.5
71.45791	0.2
73.60507	0.2
83.05027	0.4
85.06604	2.4
87.04526	0.7
93.03413	0.2
95.05021	0.4
97.02957	0.5
97.06591	0.5
101.06102	0.3
107.05015	0.4
109.02953	0.4
109.06602	0.3
111.04532	8.7
111.08173	5.7
112.04855	0.5
112.08554	0.2
118.68720	0.2
121.06603	0.3
123.04564	0.6
123.08176	0.9
125.06074	0.4
125.09772	0.4
135.08186	0.3
137.09656	0.3
137.88858	0.2
138.03233	0.3
139.04037	0.3
139.11398	0.3
141.09369	0.2
145.06685	0.2
149.02522	0.3
149.09813	0.4
151.04027	4.5
151.11288	0.7
153.09238	0.4
163.07658	0.5
163.11298	1.1
165.05637	0.3
165.09192	0.4
165.12869	0.2
167.10762	0.4
175.07648	0.6
175.11122	0.3
177.01968	0.3
177.09224	0.5
178.09958	0.2
179.03511	0.3
179.07114	0.4
179.10675	0.3
181.12395	0.3
187.11301	0.6
189.09285	0.2
189.12827	0.6
191.10805	0.4
193.05055	0.2
193.08723	1.5
193.12337	1.3
195.06587	0.7
203.07225	0.2
203.10771	0.4
204.04410	0.2
205.05141	0.3
205.12326	0.4
207.06628	10.5
207.13818	0.5
208.07301	2.0
209.08104	0.4
209.11900	0.3
211.13466	0.3
217.12343	1.5
219.06630	5.2
220.07091	0.4
221.08211	5.8
221.15477	0.8
222.08879	1.2
223.06177	0.4
225.14951	0.2
229.12378	0.2
233.08160	1.0
233.15538	1.0
235.09773	1.4
237.07697	10.7
238.08154	1.2
245.15489	0.8
249.11334	0.5
251.16592	0.3
255.02881	0.3
265.14474	0.3
271.02472	0.7
273.18579	0.4
274.95129	0.2
275.16495	0.2
279.19635	0.5
285.18677	0.6
287.03281	0.2
300.02829	0.8
301.03470	0.4
303.19604	0.4
305.13916	0.8
305.17239	0.3
306.18259	0.3
307.15524	0.3
308.16232	0.5
309.16769	0.3
317.13977	0.9
317.17261	0.2
319.15384	1.3
321.17072	1.4
323.14587	0.4
323.18527	0.3
324.14969	0.4
332.19702	0.3
333.20673	0.4
335.14972	0.4
343.22754	0.9
361.16647	0.7
361.23914	2.3
362.24207	0.6
364.18768	0.9
377.19354	0.4
377.23410	1.6
378.19977	1.1
387.21796	1.1
388.21780	0.3
390.20157	0.3
394.20010	0.4
401.26895	2.2
402.27142	0.3
419.28128	0.4
431.24448	0.7
433.26022	2.1
445.26038	2.3
446.26208	0.5
463.26993	100.0
464.27353	19.2
465.07529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	0.4
57.03452	6.4
58.27016	0.4
59.01350	0.5
68.99810	1.8
69.48539	3.9
71.05025	2.8
75.01336	0.4
79.05559	0.4
81.03454	0.4
83.05032	2.8
85.02944	1.3
87.04546	0.5
95.05047	0.6
97.06596	9.6
98.06938	0.4
98.63643	0.3
99.08170	8.8
101.06097	4.4
107.05017	0.4
109.06602	0.9
109.65295	0.4
111.04536	0.7
111.08138	0.4
116.26770	0.4
120.65526	0.5
121.06628	0.9
123.04517	0.8
123.08175	1.1
125.06100	36.7
126.06434	2.0
127.07658	2.4
135.08205	0.5
137.06071	0.9
137.09721	1.8
139.07683	0.8
141.09225	0.8
144.85298	0.4
147.08167	0.6
149.09792	2.2
151.04025	1.2
151.11302	0.6
153.09227	8.8
155.10780	0.8
163.07642	0.5
163.11325	0.6
165.09248	1.0
167.10750	1.1
179.07127	0.7
179.10799	0.9
189.12878	1.4
193.08694	1.1
193.12280	0.8
194.98779	0.9
195.10294	3.1
205.08748	0.4
205.12335	0.8
207.06607	2.3
207.10283	2.1
207.13902	1.6
213.63875	0.4
219.06586	1.7
219.10155	0.5
219.13942	0.5
221.08112	0.7
221.11804	0.8
223.13327	1.0
233.11708	0.9
234.08974	0.9
235.13347	0.9
237.07707	1.6
241.27370	0.4
247.13350	2.7
248.13759	0.5
259.17004	0.5
261.11203	0.5
261.14944	0.6
263.13562	0.4
263.16510	1.4
277.18039	0.5
279.15970	0.8
289.14377	0.8
300.02805	1.0
301.03378	0.5
303.16077	0.6
305.01712	0.4
305.17435	3.2
307.19141	2.8
317.17661	0.5
345.20670	0.9
347.18558	1.1
348.18961	0.5
362.17328	0.5
363.22076	0.6
371.22141	0.5
372.77905	0.4
377.23114	0.5
378.19949	2.6
378.24847	0.4
379.20966	0.9
387.21622	0.6
403.25003	0.5
413.23300	1.3
431.24377	100.0
432.24741	17.1
432.30795	0.9
433.26007	0.7
445.25940	2.2
463.26987	69.0
464.20935	0.6
464.27405	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	463.2488
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
55.13721	0.4
57.03450	2.1
65.00340	0.5
69.75405	3.1
79.01894	1.0
83.25955	0.4
85.04110	0.4
90.92534	0.4
98.17329	0.5
108.02136	0.4
119.05090	0.8
135.08127	0.7
136.01579	0.5
136.98817	1.1
145.02969	13.8
146.03314	0.7
149.02470	0.6
150.03203	0.5
157.06573	1.0
163.00412	1.2
169.06659	0.5
177.01917	1.9
178.02682	0.5
189.01952	1.2
191.10793	0.7
193.12271	0.6
199.04056	1.0
213.05592	2.0
214.06345	1.1
215.10860	0.8
225.12714	0.5
227.07137	1.3
239.07251	0.8
240.08000	1.3
241.05048	8.6
242.05844	9.7
243.06494	2.2
243.13808	0.7
255.06639	9.4
256.07306	2.4
259.09723	2.3
260.10043	0.5
267.06631	8.3
268.07211	1.3
269.08179	1.0
281.08380	0.5
283.09641	0.9
293.08136	0.7
293.15329	1.1
295.09686	0.7
323.12985	1.3
337.14438	29.2
338.14740	4.6
349.21765	0.5
351.12341	3.1
351.16113	1.1
352.12650	0.8
361.14450	7.7
362.14914	0.7
375.15948	0.7
376.16708	1.6
379.15277	0.5
393.17108	0.6
394.17667	1.4
445.23825	1.0
463.24875	100.0
464.25250	23.2
464.31897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.251
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
59.60709	0.7
61.98827	1.9
64.25970	0.6
71.72353	0.7
79.01885	1.0
84.20119	0.7
88.69023	0.7
97.48155	0.7
109.02969	0.9
123.04529	1.2
145.02986	9.3
149.02438	1.1
150.03206	3.8
151.00412	1.1
157.06549	1.0
177.01950	6.8
178.02649	2.8
182.25894	0.7
189.01988	1.0
191.03479	3.0
211.07678	1.7
227.07126	6.0
228.07796	1.9
229.53276	0.8
235.09709	1.9
236.10074	2.9
237.10312	2.0
240.07899	1.2
241.05139	3.7
242.05807	3.6
255.06635	58.8
256.07309	19.3
257.07687	2.5
267.06586	5.1
268.07205	1.9
269.05673	0.9
269.08221	9.9
300.02133	0.8
323.12915	1.5
335.17545	0.7
337.14313	2.7
377.17548	1.4
379.15512	1.0
393.17056	2.5
394.18124	3.5
463.24817	100.0
464.25214	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	463.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
58.00595	0.5
59.01379	8.2
60.01710	0.4
61.01795	0.4
61.98830	20.0
65.00340	0.4
69.03449	0.7
71.01388	6.8
71.05022	0.5
71.43304	0.5
72.01735	0.7
72.99294	0.4
73.02954	0.5
74.02463	0.4
80.02222	0.3
81.02517	0.3
81.03423	0.4
83.01398	0.9
83.05041	0.3
85.02953	2.5
87.00887	0.6
88.98807	0.3
89.02456	5.4
90.02798	0.5
91.02877	0.7
93.03476	0.6
95.01424	0.6
95.05018	0.4
96.96045	0.4
97.02966	0.9
97.06574	0.4
99.00902	0.4
99.08153	0.5
101.02460	2.2
102.02767	0.3
107.01397	0.8
108.02248	0.3
109.02936	0.9
111.04523	0.6
112.88251	0.2
113.02463	3.3
113.09729	0.9
115.04072	0.3
119.03512	0.6
121.02966	1.2
125.02480	2.7
125.06139	0.3
126.02764	0.7
127.11372	0.4
131.03517	0.9
132.03801	0.3
133.04045	0.3
135.04546	0.7
137.02489	1.5
145.02953	0.5
148.01613	0.4
149.04553	0.9
150.03178	0.7
151.00380	3.7
151.05017	0.3
157.06656	0.5
159.04523	0.4
161.02394	0.4
161.04581	1.2
163.00386	0.7
165.01920	1.8
167.10791	6.1
167.12181	0.2
168.11116	3.7
169.11208	1.7
169.12601	0.4
178.99852	1.8
183.04494	0.3
185.11951	0.5
191.05670	0.9
195.13977	0.3
209.11836	3.2
211.20589	0.3
215.03543	0.3
217.34747	0.3
221.19112	19.7
222.19479	2.0
227.03456	0.8
227.12953	1.2
228.03854	0.3
237.18570	0.6
239.12888	0.5
239.20137	2.1
243.02991	2.6
244.03249	0.3
245.04555	0.4
253.09328	0.5
254.02180	0.5
255.02982	6.4
256.03522	0.8
257.17596	0.8
257.21234	0.8
265.18085	12.0
266.18420	1.3
271.02463	15.4
272.02875	1.7
281.21255	1.2
283.19144	18.5
284.19516	1.5
287.05655	1.5
288.06451	0.6
293.08725	0.5
294.09045	0.3
295.09372	0.5
299.01938	0.7
300.02759	20.4
301.03470	12.3
301.20197	100.0
302.03906	1.0
302.20535	10.2
315.21716	1.9
325.20193	2.3
343.21277	2.6
385.12903	1.6
403.23093	0.4
463.08801	19.0
463.25317	7.5
464.09085	3.3
464.25784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.249
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
55.31789	0.3
63.12988	0.4
66.58364	0.3
69.84186	2.3
76.34915	0.3
79.01898	0.6
89.45635	0.3
98.20587	0.8
105.00790	0.3
107.35876	0.4
111.04422	0.4
119.05078	0.6
121.02970	0.6
121.06614	0.6
123.08253	0.3
133.10103	0.5
136.01616	0.5
136.98862	0.5
145.02962	6.9
146.03287	0.6
150.03212	1.0
164.01193	0.6
177.01950	4.3
177.09204	0.9
178.02551	0.4
189.01982	1.4
190.02692	0.5
191.03502	0.6
201.09253	0.9
203.03499	0.7
211.07672	0.6
213.05614	0.9
214.06366	1.8
217.12331	0.5
225.05557	3.7
227.07133	3.3
231.06645	0.9
239.07176	0.8
240.07910	9.5
241.05057	6.0
241.07935	0.6
242.05853	8.1
243.06436	1.4
245.08105	2.8
246.08813	0.8
253.05017	1.2
255.06633	26.0
256.07153	2.4
257.07767	0.5
259.09726	1.4
267.06638	8.0
268.07355	9.9
269.07776	1.2
279.13800	0.7
281.08182	3.5
293.08173	1.4
307.13443	0.4
309.11261	0.9
316.13199	1.3
323.12897	15.4
324.13263	2.6
336.13623	0.6
337.14456	7.9
338.14835	0.7
351.12366	0.6
351.16168	0.5
365.17545	0.7
366.18304	0.6
379.15353	0.9
393.16995	3.3
394.17816	5.1
395.18195	1.3
419.25787	1.5
420.26480	0.5
433.17856	0.4
445.78632	0.4
463.24896	100.0
464.25256	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	463.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06376	0.3
55.01884	0.5
57.03442	1.4
60.45256	0.3
65.00333	0.5
67.01892	0.7
69.64616	1.2
69.65043	1.3
79.01910	1.0
91.01912	0.5
101.03963	0.6
103.05564	0.4
119.05063	2.1
121.02965	1.0
123.04550	5.9
136.98833	0.5
137.02467	0.3
145.02971	15.2
145.06602	0.4
146.03323	0.8
147.04546	3.9
149.02466	0.7
149.44287	0.3
150.03261	1.2
151.00435	0.3
157.06595	1.8
163.00426	0.4
163.03993	1.6
169.06580	1.5
177.01961	3.6
177.14551	0.3
178.02669	1.2
181.10176	0.4
183.08197	0.5
191.03506	15.4
192.03951	0.7
193.12486	0.4
199.07664	0.4
201.09323	0.3
207.08279	0.5
211.07712	1.1
213.05663	0.6
225.09242	3.6
226.09564	0.5
227.07170	2.6
228.07889	0.9
241.05070	4.1
241.08624	1.5
242.05843	2.5
242.08363	0.4
243.06493	0.6
245.08147	0.4
255.06638	25.6
256.07266	7.9
257.07764	0.5
259.09601	0.3
267.06671	0.4
269.08185	75.4
270.08542	8.0
281.15433	1.0
293.08350	0.3
316.13196	0.4
323.12888	3.7
324.13403	0.8
337.14450	3.4
338.14819	0.5
351.16132	0.4
356.12564	0.4
361.14514	0.4
366.17963	0.3
367.45911	0.3
382.02612	0.3
393.17059	1.5
394.17734	2.4
395.18298	0.5
463.24887	100.0
464.25266	15.7
464.31866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2491
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
50.07141	0.2
51.79374	0.2
58.87568	0.2
69.60587	1.3
79.01900	0.5
84.05405	0.2
98.20655	0.2
106.97527	0.2
109.02949	0.3
109.50504	0.2
119.05025	0.3
121.03004	0.5
123.04567	0.6
131.07761	0.2
143.58221	0.2
145.02992	5.0
146.03348	0.2
147.04561	0.3
149.02434	0.9
150.03253	2.0
151.00398	0.4
157.06622	0.3
177.01949	4.0
178.02730	1.7
179.03320	0.2
189.01958	0.5
191.03548	1.3
211.07602	0.8
213.05621	0.4
214.06357	0.3
225.05594	0.3
225.09294	0.5
227.07138	3.4
228.07841	1.4
229.69106	0.2
240.07860	0.4
241.05057	1.5
242.05804	1.3
243.06497	0.3
253.05161	0.2
255.06636	30.0
256.07315	10.4
257.07745	0.7
267.06668	2.5
268.07144	0.3
269.08173	4.1
270.08676	0.2
281.08200	0.6
295.09760	0.2
311.09293	0.3
316.13235	0.3
321.11624	0.4
323.12689	0.2
337.14456	0.3
366.18375	0.2
377.17502	0.4
379.15591	0.4
393.17203	1.3
394.17834	1.6
395.18271	0.4
463.24908	100.0
464.25253	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	463.2487
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
56.58776	0.2
57.03449	0.3
70.90701	0.8
77.03954	0.2
79.01897	0.6
95.79857	0.3
98.00659	0.2
101.03992	0.6
109.02999	0.5
111.04562	0.4
113.06107	0.2
117.03532	0.4
121.02970	1.6
123.04560	0.7
127.42496	0.2
133.03033	0.2
136.01714	0.4
136.98831	0.4
141.54626	0.2
145.02969	16.9
146.03319	1.1
147.04527	0.8
149.02469	0.8
151.00366	0.4
157.06613	0.8
159.04570	0.4
161.02522	1.2
162.03293	0.6
163.00351	1.0
163.04044	0.4
164.01210	0.3
169.06540	0.4
175.07622	0.3
177.01936	2.4
178.02377	0.3
179.08662	0.3
189.01939	11.2
190.02495	0.8
191.03542	1.6
195.08067	0.5
197.06177	0.4
199.03944	0.3
205.05209	0.2
207.03033	0.7
209.08205	0.3
211.07721	0.8
212.04840	0.9
213.05562	1.0
214.06358	0.7
221.08107	0.5
222.08521	0.5
223.07516	2.2
225.05621	3.1
225.09203	0.5
226.06360	2.7
227.03535	0.3
227.07138	2.6
229.05080	0.7
233.04417	0.5
235.09674	1.0
236.10139	1.5
237.10393	0.7
238.06377	0.3
239.07130	7.3
240.07903	5.0
241.05069	4.7
241.08475	0.5
242.05829	2.9
243.06633	0.5
248.40450	0.3
253.05042	4.6
254.05678	1.1
255.06622	17.8
256.07098	1.9
265.14847	0.2
267.06616	58.8
268.07083	8.2
269.08163	7.1
269.10910	0.5
270.08609	0.9
279.12448	0.8
280.12833	1.5
281.08194	0.6
281.12933	1.7
283.06198	0.4
293.08298	0.3
293.12003	0.3
295.09967	0.4
299.13013	0.5
307.09705	0.8
309.11530	0.3
311.09235	5.5
312.09613	0.8
321.11334	1.6
323.12946	1.0
325.10867	0.9
337.14490	1.9
337.18216	0.4
338.14838	0.3
351.12372	0.9
351.16159	0.4
372.18918	0.3
373.19211	0.5
377.17615	4.7
378.17914	0.9
379.15594	1.7
393.17130	3.1
394.17776	3.5
394.22876	0.4
395.18307	0.6
403.62775	0.3
426.16766	1.1
445.24924	0.3
449.15997	0.3
463.24841	100.0
464.25198	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	463.2487
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.15883	0.5
55.55551	0.5
56.16043	0.6
65.00313	0.6
69.49442	4.4
69.49863	1.6
101.03945	1.0
109.02889	0.7
111.04537	5.8
112.04817	1.4
113.04980	0.6
113.06042	1.3
121.02909	1.4
123.04454	1.1
125.06039	1.1
130.89275	0.6
139.03909	0.7
145.02968	22.1
146.03227	1.0
147.08034	0.9
149.02391	1.3
150.03181	1.1
151.00249	1.1
151.03978	1.4
159.17610	0.5
161.02458	0.7
177.01923	6.8
179.03508	0.7
180.04347	2.9
180.09064	0.7
181.04553	0.7
183.08142	0.7
188.30923	0.7
189.01926	7.8
191.03375	1.2
197.05861	0.7
199.03857	0.6
201.05482	0.6
204.71463	0.6
207.06543	1.5
211.07501	1.9
213.05324	0.6
221.08224	3.8
222.08934	15.0
223.07401	1.0
223.09381	1.3
227.07109	7.5
228.07489	1.2
230.02097	1.6
232.03552	0.8
233.08032	0.6
235.09789	3.2
236.10155	4.0
237.10411	4.2
238.47150	0.6
239.03317	0.9
239.06967	0.9
240.07599	0.8
241.05115	4.4
242.02106	1.2
242.05829	6.1
243.02907	5.0
243.06311	1.2
253.05060	0.8
255.06615	50.1
256.07199	9.9
258.01611	1.7
263.06836	1.4
267.06604	45.7
268.06955	4.8
269.08130	7.8
270.99661	1.2
271.02441	18.8
272.03009	3.0
279.10019	0.6
281.08069	1.0
282.08667	0.6
283.02481	30.3
284.02924	3.4
289.14142	1.4
291.14954	1.1
297.03940	1.1
297.07449	1.1
297.10760	0.7
307.02841	0.8
307.06097	13.2
308.06357	1.4
309.07703	5.0
310.04489	0.8
311.05573	1.2
311.09027	2.4
312.06284	0.6
321.11365	2.8
323.12607	1.6
325.07172	31.2
325.10748	1.1
326.07907	30.2
327.07932	2.1
334.17026	0.7
335.17276	0.8
337.14453	3.0
337.18481	0.7
349.18878	0.7
366.18185	0.8
377.17896	3.1
379.15567	3.4
393.16833	1.3
394.13858	19.4
394.17871	5.9
395.13995	2.8
395.18500	1.3
419.25632	0.7
463.24734	100.0
464.19113	1.0
464.25232	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17383	0.4
57.03452	1.2
59.01385	17.2
59.64083	0.4
61.98835	24.4
63.02397	0.6
65.00314	1.3
69.03448	0.7
71.01391	9.1
71.72364	0.9
72.99306	1.0
73.02947	1.0
74.56278	0.4
83.01399	1.7
83.05058	0.7
85.02958	3.0
86.88998	0.4
88.98830	1.0
89.02459	7.6
90.09178	0.4
91.04017	1.2
93.03491	0.8
95.01415	1.2
95.07022	0.5
97.06616	0.7
99.00892	0.5
101.02453	5.8
107.01411	2.3
108.02205	0.6
109.02969	1.8
111.04554	0.9
113.02469	4.7
115.47492	0.5
119.03545	2.2
121.02953	2.3
122.03810	0.7
124.01731	0.6
125.02459	1.8
135.00896	0.5
135.04559	0.6
137.02461	2.3
143.03535	0.6
148.01653	1.1
151.00386	8.1
152.00778	0.5
161.02434	0.6
161.04594	1.4
163.00421	1.4
164.01181	1.2
165.01981	1.7
165.12857	5.7
169.01410	0.8
177.09230	0.6
177.12854	0.6
178.99896	3.6
179.03482	0.7
179.05673	0.9
180.00220	0.6
183.13924	100.0
184.14264	7.0
191.05638	1.7
198.03271	0.6
199.03925	0.6
207.13918	3.0
209.08237	0.8
209.11835	3.6
209.15520	0.8
212.92267	0.5
215.03421	0.5
219.13846	1.3
221.08105	0.5
226.02704	0.8
227.03429	2.1
227.12868	6.2
228.13281	0.5
229.04883	0.5
237.14992	3.4
241.01447	0.6
241.04909	0.6
241.14539	1.1
243.03009	6.3
244.03462	0.6
245.04494	0.5
249.14883	1.3
251.12918	6.6
252.13223	0.6
254.02202	1.5
255.00450	1.0
255.02980	12.4
256.03433	1.3
263.12866	2.4
271.02472	27.8
272.02866	4.5
273.04019	0.9
281.13879	0.9
283.02365	1.1
283.16171	0.8
283.19159	4.1
288.06335	0.7
299.01984	1.9
300.02759	45.6
301.03510	30.4
301.16586	55.4
302.03967	2.4
302.16882	5.2
325.16583	3.2
326.16650	0.6
337.16553	1.7
342.07388	0.6
355.17587	3.3
367.17679	1.8
373.18729	0.7
385.13019	2.3
403.23303	1.0
430.57462	0.5
450.32040	0.5
463.08838	44.9
463.25537	12.1
464.09122	6.9
464.25751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03436	0.4
59.01378	4.3
67.30074	0.2
69.03490	0.3
70.23425	0.2
71.01385	3.2
72.99295	0.3
73.02956	0.9
80.35468	0.2
83.01400	0.6
85.02981	0.9
86.87936	0.2
87.00893	0.5
89.02454	2.6
95.01399	0.2
97.06606	0.3
98.20592	0.4
99.00911	0.4
101.02453	3.2
103.94614	0.2
111.08170	0.8
111.53438	0.2
113.02457	1.6
119.03539	0.6
122.36140	0.2
125.02480	0.3
133.05057	0.3
151.00410	0.3
157.05159	0.2
161.04564	1.4
165.12872	8.8
165.14301	0.4
166.13255	0.6
174.29605	0.2
178.99911	0.3
183.13916	100.0
184.14241	6.7
194.89241	0.2
195.49382	0.2
209.11928	1.2
227.12901	9.3
228.13251	0.7
235.08253	0.9
243.03085	0.4
253.09291	4.1
254.09416	0.2
255.03029	0.5
265.18094	0.5
271.02402	1.6
272.02939	0.3
283.19089	0.4
300.02725	2.3
301.03317	1.4
375.34503	0.2
445.20853	0.6
463.08710	2.2
463.21793	68.1
464.09232	0.4
464.22141	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39291	0.2
51.61946	0.2
54.61529	0.2
55.01883	0.5
57.03450	0.4
57.05167	0.2
58.00602	0.3
59.01086	0.4
59.01383	8.7
61.98837	2.1
65.71712	0.2
69.03488	0.3
70.19983	1.2
71.01385	6.3
73.02941	1.5
77.81104	0.2
83.01427	1.1
85.02968	1.4
87.00882	0.9
89.02454	4.8
95.01395	0.5
97.02966	0.3
97.06596	0.4
99.00944	0.4
101.02459	6.0
101.03477	0.3
107.01362	0.3
108.41790	0.2
109.24556	0.2
111.08179	0.7
113.02473	2.8
119.03527	1.4
120.42746	0.2
121.02982	0.3
125.02474	0.6
125.13810	0.2
138.37489	0.3
140.62733	0.3
141.36597	0.3
143.03551	0.5
151.00404	0.9
161.04556	1.6
163.00349	0.3
165.01910	0.4
165.12874	8.7
166.13222	0.5
169.34099	0.2
178.99879	1.0
179.05600	0.5
183.13916	100.0
184.14253	8.1
191.05553	0.4
209.11856	1.5
227.03445	0.4
227.12888	9.6
228.13196	0.8
235.08195	0.8
243.02924	0.8
253.09279	8.2
254.09656	0.5
255.02927	2.1
267.20212	0.2
271.02496	4.1
272.02881	0.6
300.02750	6.6
301.03479	5.0
445.20657	0.7
463.08817	6.2
463.21814	74.5
464.09039	1.0
464.22198	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.17962	0.5
57.03450	1.3
57.45272	0.4
58.00594	1.6
59.01377	100.0
60.01730	1.3
61.20800	0.5
61.98831	7.4
69.03460	3.4
71.01385	42.5
71.05025	6.0
71.05418	0.7
71.05810	1.0
72.01745	0.8
72.46921	0.4
72.99316	2.2
73.02942	6.4
75.00872	1.8
81.03464	1.2
83.01396	3.6
83.05024	3.3
85.02962	6.0
87.00890	1.4
89.02452	55.3
90.02789	1.1
95.01401	2.0
97.02955	5.5
97.06612	0.9
99.00890	11.1
99.01514	0.8
99.04572	0.7
100.01238	0.5
101.02454	17.7
107.01377	0.7
110.52432	0.5
111.00887	0.8
111.04535	0.7
113.02457	9.1
115.04032	2.4
115.07655	11.0
119.03515	4.2
121.02994	1.9
123.00887	0.6
125.02459	21.2
125.06081	4.2
127.11283	3.3
131.03508	7.2
135.04575	0.7
137.02446	1.5
138.03235	0.6
139.11295	3.7
143.03493	2.7
143.07162	20.0
144.07469	1.0
148.01640	0.6
149.04570	17.4
150.03198	1.0
150.04883	0.6
151.00378	3.2
151.11293	0.6
161.02470	0.7
161.04539	2.9
162.03229	0.5
163.00371	0.6
165.01952	1.8
169.12354	43.1
170.12735	2.6
178.06271	0.5
178.99886	1.5
179.05652	2.0
181.12315	3.2
183.13953	1.2
191.05614	4.8
192.06052	0.6
193.12335	0.5
199.13399	11.2
200.13869	0.5
203.07172	0.7
209.11810	1.0
211.13376	3.5
223.13394	27.4
224.13777	2.0
226.02655	0.6
227.03371	1.1
227.13000	1.2
231.06653	2.1
233.06664	11.1
234.06985	0.7
241.14450	22.6
242.14810	2.0
243.02986	2.9
255.03015	5.3
257.17651	0.6
271.02469	12.9
272.02853	2.1
275.07813	0.8
285.03979	0.5
287.05701	2.5
288.06293	0.9
293.08768	16.8
294.09137	0.8
299.02008	0.8
299.99307	1.0
300.02731	20.9
301.03494	11.3
301.14420	7.8
302.03912	1.6
314.46457	0.5
355.06726	1.0
385.13000	1.9
386.13300	0.5
463.08850	17.1
463.25833	4.1
464.09033	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	463.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96929	0.4
53.60088	0.5
56.00900	0.5
61.77193	0.5
65.16398	0.5
65.82392	0.5
69.88850	1.5
69.89262	1.7
76.14991	0.5
82.27300	0.4
98.20650	0.6
111.04543	2.2
113.06075	0.6
114.52510	0.5
118.33347	0.4
141.09241	0.6
145.02977	1.6
151.04034	0.5
163.00493	0.5
167.03552	1.1
169.11221	0.5
209.08215	2.5
221.08194	4.1
222.08826	1.8
223.09276	0.8
227.07118	0.6
235.09824	4.2
236.10051	2.9
237.10370	1.2
239.07306	0.7
240.04137	0.5
240.07884	0.8
241.05107	0.6
242.02229	1.4
242.05801	0.7
250.11539	0.9
251.03383	0.5
254.02283	0.7
255.02919	1.2
255.06667	3.5
256.03864	1.1
265.14374	0.7
267.03046	1.9
267.06595	3.9
267.09262	0.7
268.03748	2.1
268.07120	0.7
269.08215	0.8
271.02548	0.6
276.13065	0.5
280.03790	0.8
282.01712	3.8
283.02451	3.6
284.03131	0.9
295.02475	9.8
296.03131	4.1
306.05289	0.6
307.02475	16.6
307.05811	1.0
307.15439	0.9
308.02985	2.2
311.09195	1.1
319.06027	1.6
323.05710	0.8
324.15594	1.2
326.07861	1.5
335.05643	1.2
335.17838	0.7
339.08740	32.7
340.09091	3.2
351.08728	100.0
352.09073	10.3
365.10373	0.9
375.12308	2.8
377.13907	7.9
378.14301	1.0
378.72861	0.5
379.11765	1.2
393.13449	1.5
394.14227	66.2
395.14584	9.0
419.48639	0.6
426.13104	3.5
430.23590	0.6
431.23370	4.2
447.27225	0.9
462.29306	2.6
463.09537	0.6
463.25351	19.8
464.25989	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	463.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29300	0.7
56.06321	0.8
56.25348	0.8
57.03452	4.9
59.01404	1.2
61.98853	1.0
65.24796	0.7
70.15208	3.0
70.15629	1.1
71.01418	0.8
71.05053	1.0
75.48517	0.8
79.19781	0.7
83.00904	1.7
83.01395	25.9
83.97752	0.7
85.06642	1.7
87.04562	3.2
88.04965	0.9
95.05073	3.4
97.06611	0.8
101.06111	1.0
107.05080	1.1
109.03002	1.0
109.06633	1.1
111.04540	4.2
113.06185	0.8
123.04539	1.6
125.02483	1.0
125.06129	1.0
135.04596	1.0
135.08173	1.3
137.02498	1.1
137.06113	2.9
138.03221	1.5
139.04036	1.9
149.02605	0.8
149.06110	1.7
151.00409	1.2
151.04028	13.8
152.04767	1.1
161.06082	0.7
163.04028	3.9
163.07646	1.0
163.11403	1.2
164.04832	28.9
165.01941	0.8
165.05582	3.5
166.02759	1.0
175.11316	1.1
177.01956	3.0
177.05513	0.8
178.06407	7.2
179.03568	3.0
179.07100	0.9
180.04311	8.5
180.07689	0.8
181.05095	19.7
190.06236	0.9
191.03540	2.2
191.10699	1.2
192.04312	19.8
193.05084	100.0
194.05833	29.2
195.06557	5.5
195.10335	1.0
205.05075	16.3
206.05858	11.4
207.06633	4.8
208.07375	0.8
209.08235	1.9
209.11880	3.8
217.12366	4.0
218.05885	0.9
219.06691	4.1
219.10274	2.6
220.07230	1.0
221.08167	1.6
224.03171	1.7
229.12079	0.9
233.08261	1.7
233.11848	6.9
237.11214	0.9
243.06564	0.9
245.15535	1.2
247.09579	3.7
247.13438	1.6
249.11113	1.3
255.02942	1.8
255.06880	0.8
258.08942	3.2
259.09650	2.0
261.11316	63.9
262.11697	5.4
263.09171	2.1
265.14410	1.9
271.02396	4.8
272.02869	1.3
273.11246	1.4
275.12827	4.4
276.13431	0.9
286.30637	0.8
287.13333	0.8
287.16513	3.1
289.14380	3.0
294.11105	2.3
300.02744	8.3
301.03552	4.2
301.14484	1.1
303.15936	2.8
313.14471	4.0
314.14777	1.2
315.12369	0.9
317.13940	1.0
323.14127	0.9
324.14908	1.5
327.15979	6.0
328.16205	1.2
329.17612	1.5
331.15518	74.4
332.16248	71.3
333.16751	9.2
333.20450	1.3
343.19131	1.0
349.16360	2.5
350.17081	1.0
357.20752	6.0
372.23041	1.3
383.22458	4.3
385.20108	2.8
400.22549	43.4
401.22900	6.9
432.21124	2.2
445.26065	1.1
463.08917	5.8
463.21411	82.9
463.26587	7.2
464.08780	1.6
464.21863	16.6
464.27975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
59.57406	0.9
71.72942	2.0
79.01871	1.2
83.86666	0.9
95.05021	1.3
109.02934	1.3
111.04549	13.1
112.04869	4.0
113.05126	1.2
113.06105	5.8
114.06396	2.6
116.41959	0.9
121.02953	1.8
125.02512	1.0
125.06100	3.1
126.06412	1.8
145.02971	13.0
146.03320	1.2
149.02458	2.1
151.00404	1.3
151.04008	3.3
152.04387	3.3
157.06731	1.0
163.00397	1.2
177.01927	14.3
179.03526	1.8
179.07047	2.2
180.04263	2.2
189.01923	4.3
199.04105	1.7
207.06670	1.0
211.07669	3.1
213.05623	1.0
215.03502	1.3
221.08250	4.6
222.08897	15.0
223.09279	2.0
224.09995	2.4
225.10121	0.9
227.07124	7.7
230.02211	2.8
235.07454	1.1
235.09761	28.0
236.10114	35.4
237.10333	19.8
239.03575	3.6
239.07190	1.5
241.01437	1.0
241.05061	4.3
242.02391	1.9
242.05779	2.3
243.02977	17.3
244.03551	2.0
249.11328	1.5
250.11642	2.8
255.06622	79.5
256.07135	9.9
258.01678	4.2
263.07199	3.9
267.06631	31.3
268.07053	2.6
269.08136	3.4
270.01990	1.1
271.02454	63.3
272.03052	10.1
274.01242	1.1
281.04587	1.1
281.08051	1.4
282.05112	1.1
283.02472	96.1
284.02875	10.0
285.04022	1.2
289.14578	1.8
290.14932	1.4
290.46832	1.0
291.15305	2.7
293.04788	1.3
294.05267	1.7
295.02551	1.3
297.04001	5.7
297.07617	2.6
298.04498	0.9
304.02182	2.2
307.06110	42.1
308.06519	4.9
309.04227	1.9
309.07635	15.4
310.04883	2.3
310.07980	2.9
311.05515	3.1
311.08966	1.3
312.09882	1.8
323.05881	1.6
325.03088	2.0
325.07196	99.6
325.10666	5.9
326.07907	100.0
327.08231	10.2
334.17462	3.4
335.17761	2.2
337.19360	1.5
358.07294	1.2
376.18491	1.7
377.13818	2.6
377.18613	3.1
393.22119	1.8
394.14108	77.1
395.14456	11.5
395.18747	1.3
426.38794	1.1
431.23315	3.0
462.29578	15.0
463.25177	92.9
463.30240	26.3
464.25156	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	463.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.3
57.03454	5.7
58.00578	1.0
59.01376	13.1
59.77687	0.6
61.98827	5.7
69.03459	1.3
70.46523	1.9
71.01386	100.0
71.41385	0.6
72.01734	1.6
72.99298	1.8
73.02953	27.2
75.00874	2.3
75.69073	0.6
81.03477	1.0
82.29761	0.6
83.01393	10.1
85.02959	43.6
85.06590	0.8
86.03309	1.5
87.00883	3.5
87.04539	1.2
89.02457	4.5
95.01404	7.1
97.02964	2.9
99.00896	12.7
101.02456	47.4
107.05060	0.7
107.11261	0.6
108.02197	0.9
111.04535	1.6
113.02462	43.6
114.02818	1.4
121.03004	1.2
122.03735	4.7
125.02492	3.3
129.01950	1.5
135.04549	7.7
136.05385	0.6
143.03510	5.1
145.03084	0.7
151.00407	3.6
159.03024	11.1
159.04404	1.6
161.04575	50.9
162.04945	2.2
172.05324	7.8
173.06113	3.1
174.06842	1.8
178.99884	1.6
186.06834	4.3
187.07654	6.1
188.08453	6.5
189.08910	0.9
191.05617	0.7
202.10098	1.2
205.03499	1.2
205.05203	1.1
209.11847	1.9
212.04639	0.9
226.06367	2.2
227.03560	1.0
227.07205	1.4
227.12787	0.8
241.18076	0.7
242.13196	3.0
243.02974	1.8
251.03593	0.7
255.02991	11.0
255.06696	1.9
256.03625	3.6
257.15466	27.6
258.15781	3.6
268.07394	1.4
271.02451	10.3
272.02951	1.1
279.02875	0.9
283.02490	8.4
284.03162	7.4
285.04056	5.6
300.02771	17.5
301.03442	9.7
302.03955	1.0
311.01804	1.5
326.04346	1.3
331.15253	0.8
332.16177	1.1
335.01987	2.7
350.04095	1.4
361.07144	1.2
377.10281	1.8
379.00992	1.3
394.03555	1.4
419.11325	7.5
420.11877	1.0
463.09052	18.7
463.20715	1.1
463.26590	4.2
464.09372	3.0
464.25882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96929	0.4
53.60088	0.5
56.00900	0.5
61.77193	0.5
65.16398	0.5
65.82392	0.5
69.88850	1.5
69.89262	1.7
76.14991	0.5
82.27300	0.4
98.20650	0.6
111.04543	2.2
113.06075	0.6
114.52510	0.5
118.33347	0.4
141.09241	0.6
145.02977	1.6
151.04034	0.5
163.00493	0.5
167.03552	1.1
169.11221	0.5
209.08215	2.5
221.08194	4.1
222.08826	1.8
223.09276	0.8
227.07118	0.6
235.09824	4.2
236.10051	2.9
237.10370	1.2
239.07306	0.7
240.04137	0.5
240.07884	0.8
241.05107	0.6
242.02229	1.4
242.05801	0.7
250.11539	0.9
251.03383	0.5
254.02283	0.7
255.02919	1.2
255.06667	3.5
256.03864	1.1
265.14374	0.7
267.03046	1.9
267.06595	3.9
267.09262	0.7
268.03748	2.1
268.07120	0.7
269.08215	0.8
271.02548	0.6
276.13065	0.5
280.03790	0.8
282.01712	3.8
283.02451	3.6
284.03131	0.9
295.02475	9.8
296.03131	4.1
306.05289	0.6
307.02475	16.6
307.05811	1.0
307.15439	0.9
308.02985	2.2
311.09195	1.1
319.06027	1.6
323.05710	0.8
324.15594	1.2
326.07861	1.5
335.05643	1.2
335.17838	0.7
339.08740	32.7
340.09091	3.2
351.08728	100.0
352.09073	10.3
365.10373	0.9
375.12308	2.8
377.13907	7.9
378.14301	1.0
378.72861	0.5
379.11765	1.2
393.13449	1.5
394.14227	66.2
395.14584	9.0
419.48639	0.6
426.13104	3.5
430.23590	0.6
431.23370	4.2
447.27225	0.9
462.29306	2.6
463.09537	0.6
463.25351	19.8
464.25989	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.6
65.00329	1.0
69.82679	2.4
72.44754	0.3
83.01389	0.7
84.34057	0.3
96.84482	0.3
98.75601	0.3
107.01404	2.0
108.02188	1.6
109.02958	0.9
112.13424	0.3
121.02979	1.5
135.00935	0.6
148.01688	0.9
151.00380	8.0
163.00388	1.8
170.64970	0.4
177.27060	0.3
178.99866	4.9
193.01506	0.5
193.94702	0.4
199.03970	1.1
211.04112	1.1
215.03514	0.5
216.04327	0.7
226.02702	1.4
227.03526	2.4
229.05026	0.4
243.02995	8.6
244.03464	0.5
245.04517	0.8
254.02284	1.6
255.02983	20.7
256.03384	1.3
257.04135	0.4
270.02109	0.3
271.02469	45.8
272.02893	4.7
273.04083	0.6
283.02524	0.8
299.02100	1.1
300.02762	78.8
301.03500	47.3
302.03882	3.8
343.04443	0.7
353.66510	0.4
387.04218	0.4
463.08807	100.0
464.09131	12.2
469.44748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01381	11.7
61.98835	3.1
69.03455	1.8
71.01388	7.1
71.05023	1.2
72.99313	4.6
73.02966	1.6
75.00879	31.6
79.05538	15.1
80.05861	0.4
83.01389	0.6
83.05032	2.6
85.02950	2.6
85.06593	0.5
87.00867	1.8
89.02471	1.8
93.03457	1.6
94.78506	0.4
95.05035	0.5
97.06586	2.0
98.20623	1.0
99.75462	0.4
101.02438	1.0
109.02975	1.5
109.06601	0.6
111.04545	1.2
113.02491	1.1
119.03497	0.5
123.04524	1.1
123.08199	0.9
125.02481	0.9
125.06123	2.4
127.04008	1.8
135.08195	0.5
136.99173	0.6
137.02435	0.7
137.06087	0.6
138.06854	0.5
139.04050	1.1
139.07603	0.4
142.99879	1.1
143.07156	3.4
145.10246	0.6
147.08214	0.6
151.04024	0.9
151.07657	1.1
153.09180	0.6
155.07162	0.6
157.05103	0.8
163.11324	3.0
165.09258	0.6
167.10815	0.7
169.08745	1.3
173.04558	0.8
174.03236	1.2
175.04021	0.9
179.10655	0.4
182.04076	3.8
183.04477	0.5
187.04057	0.6
188.04662	0.4
189.09186	0.8
191.05634	14.3
191.07347	0.9
192.05893	0.4
194.04089	0.4
195.04875	1.4
195.10374	0.5
199.03941	0.6
203.07274	0.5
205.05185	0.4
207.10272	16.6
208.10617	1.0
212.05150	3.4
213.05791	1.7
215.17384	0.4
218.02171	1.1
219.02953	1.6
221.11864	2.4
225.11389	1.3
227.07190	0.5
237.11279	0.7
239.12906	2.7
241.10719	0.8
241.14519	0.5
243.02924	0.8
243.06657	0.5
245.08115	1.1
257.13873	1.2
265.10764	1.1
271.06168	2.2
283.11887	8.1
289.07120	6.2
290.07434	0.6
300.02695	0.6
301.12930	100.0
302.13235	9.9
343.13889	2.6
373.14099	2.3
375.11221	5.9
376.11646	0.8
378.50894	0.4
403.16025	1.4
403.20410	0.6
463.12549	2.5
463.18182	19.7
464.12271	0.8
464.18399	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	461.2912
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.03364	2.1
57.03637	1.0
59.26720	0.6
61.98768	1.1
68.99764	1.6
71.72928	1.0
81.03367	0.7
83.04951	1.3
85.06566	0.7
86.75346	0.6
87.04478	1.3
89.44398	0.6
97.06538	1.5
107.04942	0.9
109.06528	1.1
111.04535	16.4
112.04850	0.7
113.06103	5.3
113.20155	0.6
123.04447	1.6
123.08129	1.3
125.06084	3.9
137.05980	0.7
139.03955	3.0
151.04024	7.2
166.02666	1.1
167.07222	0.8
177.01971	1.5
179.03468	2.1
180.04225	1.5
182.05710	1.0
191.10692	0.9
193.08640	1.3
195.06601	0.8
205.08496	0.7
207.06560	0.7
207.10223	2.1
217.08655	2.8
219.10310	1.3
221.08179	9.3
222.08899	4.3
223.09814	3.3
233.11848	1.1
235.09756	90.7
236.10275	12.0
249.11397	5.9
249.18434	1.1
251.12830	4.8
277.14612	0.9
289.11273	0.8
289.14478	2.3
293.14038	4.4
303.16037	0.7
315.16193	1.0
316.16476	0.9
321.17175	1.5
322.14276	1.5
322.17972	0.9
333.17136	8.9
333.20929	1.0
334.17761	1.0
335.15131	0.8
335.18832	2.3
337.16629	2.0
375.18140	3.6
376.18768	1.1
387.22131	1.1
392.21921	4.7
393.22650	1.3
399.25473	1.3
408.75876	0.8
429.22919	4.3
430.23416	1.0
461.29489	100.0
462.29825	18.7
474.86487	0.7
488.99911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2911
Annotation	Verbacine
Peak:m/z	Relative Intensity
57.03432	3.8
68.99804	5.0
70.73772	2.7
85.06616	3.2
111.04540	44.6
113.06126	13.0
128.25072	3.0
132.43715	2.8
139.04037	8.5
151.04024	8.3
180.04192	3.2
182.05937	3.1
215.01309	2.9
221.08170	16.7
222.08859	6.2
233.11899	4.0
235.09773	94.7
236.10216	10.5
251.12897	21.7
261.14874	2.9
291.15836	4.3
293.13959	15.1
322.14120	5.8
333.17188	7.0
351.75665	2.5
358.03421	2.5
375.18204	5.3
392.22021	4.9
429.22720	11.3
461.24713	14.6
461.29953	100.0
462.30283	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01382	5.4
60.01706	0.4
61.01816	0.2
61.34230	0.2
61.98832	100.0
62.98544	0.2
65.00333	0.2
70.74077	0.5
70.74447	0.4
71.01388	3.7
73.02967	0.5
75.43372	0.2
81.78762	0.2
82.70834	0.2
83.01411	0.4
85.02975	0.6
87.00917	0.2
89.02444	2.0
90.02819	0.4
93.03428	0.2
99.86897	0.2
101.02467	1.4
105.14747	0.2
107.01447	0.3
109.03001	0.3
111.00921	0.2
111.04557	0.5
113.02473	1.1
113.09762	0.3
116.92896	0.2
119.03556	0.3
123.04543	0.3
125.02487	0.8
131.03540	0.3
137.02480	0.5
146.75348	0.2
149.04561	0.4
151.00380	1.2
157.06613	0.4
164.01186	0.2
165.01909	0.5
167.10812	1.5
168.11105	1.4
175.04045	0.2
178.99930	0.4
209.11884	0.6
214.56493	0.2
221.19115	4.1
221.21170	0.3
227.12881	0.4
236.10461	0.3
242.01869	0.3
243.03072	0.9
245.04628	0.3
255.02879	1.4
265.18082	2.6
271.02435	4.2
271.86414	0.2
272.03116	0.3
272.63361	0.2
283.19153	3.6
287.05655	0.5
293.08951	0.4
299.01996	0.4
300.02722	7.0
300.05914	0.4
301.03549	3.4
301.20190	8.2
315.21909	0.3
324.03702	0.2
377.16766	0.2
380.38312	0.2
385.13144	0.7
445.24612	0.9
462.07828	0.4
462.26428	0.4
463.08777	5.7
463.25491	21.6
479.65045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70425	0.3
71.05038	0.3
76.14570	0.3
79.01894	0.3
85.06602	0.5
99.08200	0.4
107.05019	0.3
123.04548	1.2
125.06090	2.9
137.09676	0.5
138.03221	0.4
139.04031	0.3
150.58530	0.3
151.04022	5.1
165.02061	0.6
165.05557	1.0
166.02753	3.0
167.03540	0.6
177.01964	0.8
179.03503	1.8
179.07042	0.3
179.10771	0.5
180.04269	0.6
191.03632	0.4
191.10771	0.5
193.05023	0.4
205.12352	1.0
207.10423	0.9
217.08682	2.2
221.08224	4.3
222.08997	10.1
223.09753	13.3
224.10239	0.8
231.10356	0.5
235.09755	73.3
236.10165	6.3
247.09857	0.6
249.11299	12.0
250.11736	1.5
265.10626	0.4
268.09396	0.4
275.20166	0.9
289.14551	0.4
293.13974	1.4
294.14752	2.0
295.15219	0.4
303.16113	0.3
321.17038	1.0
322.17807	1.8
330.14243	0.4
331.15707	1.4
333.26785	0.3
349.16519	0.4
350.17188	0.4
375.21826	1.8
376.21994	0.4
391.21246	0.7
392.22006	8.0
392.26849	0.6
393.22369	1.1
461.29086	100.0
462.29407	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	461.2907
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.25814	0.3
57.03441	0.7
60.25719	0.3
64.21645	0.3
69.63616	1.0
69.64175	0.9
69.64644	0.4
70.49257	0.5
70.49574	0.4
80.03707	0.3
86.52455	0.3
99.08168	0.4
102.77435	0.3
123.04517	0.7
125.06117	2.9
125.09737	0.4
137.09741	0.4
138.03233	0.7
151.04024	6.0
165.01865	0.3
166.02704	1.0
177.01938	1.0
179.03558	1.2
180.04291	0.9
183.67490	0.3
191.10863	0.6
207.06627	1.1
207.10231	1.4
217.08699	2.7
218.09195	0.3
221.06088	0.4
221.08192	4.3
222.08922	2.5
223.09770	1.9
235.09756	86.0
236.10187	8.3
237.10918	0.3
247.09737	1.2
249.11336	2.3
249.18515	0.6
301.21600	0.4
315.15982	0.9
333.17081	9.8
334.17523	1.2
335.18655	1.0
375.21786	0.6
391.21216	0.6
392.22052	2.6
393.22534	0.5
417.30243	0.6
443.27994	0.4
461.29099	100.0
462.29419	17.2
462.36060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
64.70061	0.3
66.80823	0.4
69.52309	0.9
69.52712	3.2
79.01903	0.6
85.06598	0.5
96.98856	0.4
98.19850	0.5
106.25422	0.4
111.04544	5.2
111.08191	0.8
123.04549	1.1
123.08174	1.0
139.04008	0.7
151.04053	5.2
165.02037	0.4
165.05597	0.5
165.09180	0.8
166.02670	0.7
177.01997	1.1
177.09232	1.1
179.03535	0.6
180.04117	0.5
189.09254	0.5
193.05067	1.8
193.08713	1.1
203.07114	2.9
207.06592	4.1
208.07434	3.9
209.08151	2.0
221.08197	75.2
222.08669	7.1
229.55313	0.4
233.08208	0.6
235.09753	12.7
235.17021	0.7
236.10172	1.3
249.11258	0.6
273.83737	0.4
287.20163	1.1
291.16125	0.9
295.52917	0.4
301.14395	0.5
319.15524	6.3
320.15741	0.4
361.20181	7.5
362.20624	1.8
392.22070	1.6
417.30225	1.0
429.26614	0.5
461.29095	100.0
462.29456	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	461.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74510	0.3
69.01688	0.3
69.71778	1.4
69.72208	1.2
70.46148	0.3
77.20016	0.3
79.01897	0.7
83.56728	0.3
85.16698	0.3
87.19633	0.3
94.27060	0.3
107.05050	0.4
111.04538	3.5
111.08189	0.9
119.54242	0.3
123.04546	1.1
123.08175	0.8
149.09686	0.3
151.04024	6.7
163.11333	0.4
165.09212	0.6
165.12886	0.5
177.01990	0.9
177.09277	0.9
179.03529	0.5
180.04326	0.3
193.08768	1.5
203.07133	3.3
203.10352	0.4
207.06660	7.1
208.07382	2.9
209.08192	1.5
221.08195	100.0
222.08722	11.8
223.09456	0.5
235.09743	4.7
235.16986	0.9
236.10129	0.5
287.20212	0.9
291.16068	0.7
301.14511	0.5
305.17532	0.5
319.15430	3.7
320.16095	0.3
333.17151	0.6
349.16705	0.5
361.20172	13.8
362.20740	3.3
392.21951	3.2
393.22433	0.6
417.30130	1.1
461.29089	97.9
462.29434	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	461.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.18875	0.2
69.83371	1.1
71.05005	0.2
79.01913	0.3
91.21310	0.2
97.06625	0.2
99.08160	0.3
107.05053	0.4
109.02966	0.2
111.04539	0.2
115.95416	0.2
123.04551	1.2
125.06113	3.2
137.09700	0.5
139.03937	0.2
151.04027	6.1
152.04468	0.2
163.11345	0.2
165.69571	0.2
166.02721	0.6
177.01915	1.0
178.02914	0.2
179.03491	1.4
179.10757	0.3
180.04289	1.8
191.10776	0.8
207.10280	1.1
208.10399	0.2
217.08690	2.1
221.08217	2.9
222.09000	1.3
223.09772	1.5
223.16888	0.2
235.09753	66.3
236.10284	7.0
237.10895	0.2
247.09593	0.3
249.11340	1.8
249.18619	0.3
301.21640	0.3
315.16055	0.3
333.17075	4.2
334.17462	0.5
335.14981	0.3
335.18732	0.7
375.21844	0.3
377.19556	0.3
388.85300	0.2
391.20963	0.3
392.22052	2.4
393.22485	0.4
429.22760	0.4
461.29080	100.0
462.29425	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84302	0.4
80.03648	0.4
82.77482	0.4
85.06608	0.8
95.25344	0.4
98.20727	0.7
99.08157	0.4
102.58526	0.4
121.06615	0.5
123.04527	1.2
125.06093	3.7
139.04039	0.7
149.82153	0.5
151.04024	2.4
151.11302	1.1
153.78302	0.4
156.43515	0.4
165.05605	2.6
166.02737	0.7
167.03464	0.7
179.03482	0.7
179.10809	0.9
180.04236	1.1
191.03481	0.5
203.10779	0.4
205.12300	2.3
207.06702	0.6
217.08702	1.0
221.08217	4.2
222.08826	2.1
223.09760	18.9
224.10060	2.0
231.10287	1.0
235.09750	28.2
236.10257	4.1
249.11310	28.0
250.11681	3.1
275.12918	0.7
275.20166	2.6
280.04874	0.4
293.14233	0.6
306.96799	0.5
321.17053	3.1
322.17865	7.5
323.18298	0.7
333.17062	0.4
349.20233	0.9
359.18552	0.8
374.20950	0.9
392.21948	2.2
443.28049	0.7
459.34344	0.4
461.29080	100.0
462.29425	18.6
462.36041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35799	0.1
57.03448	1.6
69.89629	1.2
79.01904	0.1
97.06614	0.2
99.08172	0.6
102.23479	0.2
107.05011	0.3
121.06610	0.3
123.04527	0.8
125.06099	2.9
125.09711	0.6
126.06490	0.2
137.09740	0.8
138.03255	0.3
149.09738	0.4
151.04034	3.9
151.07700	0.5
152.04582	0.2
165.01898	0.2
165.05569	0.9
165.12921	0.3
166.02716	0.7
177.01956	0.5
177.12901	0.2
179.03508	1.0
179.10776	0.3
180.04265	1.4
191.03593	0.2
191.10828	0.6
193.08710	0.2
203.10802	0.2
203.20103	0.2
205.12334	0.9
207.06645	0.3
207.10289	1.2
217.08720	1.8
221.08214	3.8
222.08952	4.1
223.09683	2.0
223.17023	0.4
224.10048	0.2
231.10226	0.3
235.09756	51.9
236.10297	7.7
237.10796	0.3
249.11310	13.1
249.18498	1.4
250.11659	1.2
261.18655	0.3
263.12964	0.2
268.09607	0.2
277.11649	0.2
277.14386	0.9
290.50549	0.2
291.16019	0.4
301.21735	0.3
305.17584	0.3
315.16052	1.9
316.16653	0.6
322.17841	1.4
333.17081	11.6
334.17572	1.9
335.15146	0.4
335.18622	8.5
336.19046	1.2
342.33582	0.2
349.20078	1.1
359.18680	0.4
359.25897	0.2
374.21033	0.4
375.21722	0.6
377.19571	0.4
391.21326	0.5
392.22025	6.0
393.22406	1.2
417.30209	0.7
427.91824	0.2
443.27271	0.2
460.27994	0.3
461.29068	100.0
462.29404	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	461.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30566	0.6
51.25735	2.2
52.56303	0.5
55.46060	0.5
57.03454	4.4
63.85559	0.6
67.05555	1.2
68.99821	7.2
72.52595	0.5
74.10397	0.5
83.05062	1.1
85.06613	2.5
87.04559	1.4
87.36172	0.6
90.99963	0.5
95.05069	0.6
99.08174	0.6
109.02970	0.9
109.06595	3.1
111.04536	100.0
112.04881	3.9
113.06104	27.9
114.06438	0.9
121.06609	1.0
122.51066	0.6
123.04517	2.0
123.08195	4.0
125.02547	0.7
125.06129	2.6
139.03955	0.8
148.89301	0.5
149.06000	0.7
151.04019	3.7
163.07565	0.7
165.05583	4.0
165.09113	1.2
166.06194	0.7
167.03444	0.8
167.07089	1.0
177.01932	1.2
177.09207	1.2
179.03348	1.6
179.07123	2.6
179.10605	1.0
180.04233	1.4
191.10698	1.2
192.07721	1.6
193.04907	0.7
193.08478	2.4
195.06453	0.6
198.05200	1.4
203.10645	1.0
205.04948	1.5
205.12135	1.7
207.06392	1.7
207.10054	0.9
208.07181	0.6
209.08014	0.9
212.06712	0.9
217.08594	0.6
219.06659	2.7
219.10080	1.6
220.07140	2.2
221.08205	13.0
221.11497	1.6
222.08983	3.8
223.09764	11.0
223.13048	0.9
224.09830	0.6
233.08243	3.2
233.11806	5.7
234.12102	0.9
235.09752	20.1
235.12065	0.8
235.13118	1.6
236.10023	2.2
245.15256	1.2
247.09480	1.1
247.13109	0.7
248.06618	0.8
249.11343	18.0
249.13776	1.0
250.11375	1.3
261.10950	1.2
261.14563	1.6
263.09244	3.3
263.12445	2.5
264.09729	0.7
275.12515	1.3
275.16165	0.9
275.19678	1.5
277.14264	1.2
289.13956	8.7
289.17599	5.1
290.14575	2.0
303.11890	0.6
303.15512	1.1
315.15573	0.7
317.13416	1.3
319.14816	3.8
320.15701	1.4
321.16302	1.6
322.17188	4.1
331.15106	0.9
331.18484	3.9
332.15533	2.1
333.16528	0.9
347.18646	2.6
349.15808	0.7
349.19659	0.8
373.19250	1.3
373.23428	1.2
375.17239	36.6
375.22397	2.7
376.17572	5.5
387.20801	5.2
392.21161	1.7
401.18237	1.0
401.22440	3.0
429.21600	5.4
443.23029	3.4
444.24890	3.2
461.24075	81.1
461.35028	5.1
461.38165	2.8
462.24423	15.0
476.22891	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	461.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
59.55145	2.9
61.98815	4.0
64.08070	2.9
68.99829	5.3
71.00597	9.2
74.79836	3.0
83.04967	3.1
84.09227	2.7
87.04520	4.2
88.53669	2.8
94.01707	2.9
111.04533	42.7
113.06112	13.0
123.08181	4.8
136.97487	2.9
138.68156	3.5
139.04036	11.1
151.04002	8.9
159.29057	3.5
182.05876	6.5
211.78061	3.0
221.08145	19.9
222.08945	4.6
223.09744	3.8
235.09770	92.1
236.10286	5.2
249.11360	5.8
251.12805	16.1
277.33527	3.1
293.13992	19.7
322.14001	3.8
333.16922	6.8
337.16721	5.3
375.18234	8.8
392.22321	4.3
429.22794	11.6
443.23932	4.7
461.29944	100.0
462.30154	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	461.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30071	0.3
57.03448	5.4
59.01399	0.5
67.05533	0.4
68.99816	1.0
69.03470	0.8
70.63515	0.4
71.01382	0.6
71.19021	0.7
71.19340	0.5
83.05021	1.0
85.02960	4.9
85.06600	6.9
87.04524	2.0
89.36803	0.4
93.03475	0.4
95.01366	0.8
95.05042	0.8
109.02981	0.7
109.06593	0.6
111.00870	0.6
111.04537	21.6
111.08169	3.5
112.04871	0.5
113.06110	3.5
123.00909	1.0
123.04555	0.7
123.08191	1.1
125.06142	1.2
135.08177	0.4
137.02480	0.3
137.06100	1.7
137.09747	1.3
138.03319	0.4
139.04031	1.7
139.07678	0.6
143.88942	0.4
147.08122	0.4
149.06142	0.4
151.00397	0.8
151.04033	3.7
151.07661	0.7
153.09203	0.6
155.07173	6.3
163.07658	2.2
163.11258	0.5
165.05559	1.3
165.09216	1.1
166.06384	1.1
167.07201	0.4
173.09700	1.2
175.07671	0.4
175.11340	0.4
177.02051	0.4
177.05637	0.5
177.09232	0.6
177.12883	0.4
179.03494	1.0
180.04294	1.1
181.05070	6.0
181.06546	0.5
181.08725	0.9
181.12299	0.4
191.07153	1.8
191.14369	0.9
192.07701	0.4
193.05025	0.8
193.08627	0.5
194.05827	3.9
195.06578	1.1
198.05301	2.6
201.12834	0.5
203.10767	0.5
205.08783	0.4
206.09488	0.6
207.06641	1.6
207.10185	0.7
208.07227	0.3
215.27011	0.4
217.08716	1.2
219.13954	0.6
221.08224	2.7
221.15454	0.5
222.08940	1.4
223.09706	1.2
223.13371	0.4
227.10779	0.6
233.11877	0.5
235.09763	32.2
236.10297	4.1
242.13069	0.6
243.13826	2.5
244.14340	0.5
245.11812	0.8
249.11302	1.4
251.12766	0.7
256.14743	0.4
260.14233	0.7
261.14862	1.3
263.12857	3.2
271.17032	1.2
289.18079	1.0
305.14096	0.5
305.17456	0.8
313.18076	3.5
314.18497	0.6
315.16022	1.1
331.15204	0.9
331.19153	15.9
332.19571	2.4
333.17081	100.0
334.17398	12.9
335.18597	0.9
337.87567	0.4
347.18695	0.6
349.20306	0.7
359.18463	0.5
375.18091	13.0
375.22809	0.6
376.18738	5.2
377.19400	1.0
392.22324	1.8
417.26349	2.6
461.29587	28.9
462.29956	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	461.2547
Annotation	Incisagenin
Peak:m/z	Relative Intensity
53.69587	0.7
55.01866	0.8
57.03449	4.9
58.75946	0.9
68.99522	0.6
68.99825	7.1
69.03470	0.8
71.31207	0.7
83.05028	7.6
85.06585	1.8
87.04533	6.5
91.96219	0.7
97.06532	0.8
99.53286	0.8
109.02975	1.3
109.06579	2.2
111.04536	90.4
112.04836	2.6
113.06110	19.5
115.03993	1.3
120.80125	0.9
121.06485	1.2
123.04501	1.2
123.08145	3.3
125.06098	0.9
131.01077	0.8
139.04019	9.3
149.09656	0.8
151.03973	3.2
165.05565	1.3
167.06979	0.8
177.01913	1.4
179.07060	2.6
180.04088	0.8
182.05882	5.3
186.05275	2.9
191.03256	1.1
191.10684	1.6
192.07838	1.2
193.08554	2.1
195.06573	1.6
198.05237	1.4
205.04977	2.4
207.06485	1.3
207.13727	1.0
209.07954	0.9
209.11809	2.0
219.06544	2.1
219.10172	1.9
219.13739	1.0
220.07210	1.9
221.08221	14.6
221.11607	0.9
221.15288	1.1
222.08775	3.2
233.08263	4.2
233.11789	3.9
235.07724	1.0
235.09775	11.3
236.10202	1.5
245.15364	2.1
249.11224	0.9
251.10432	1.2
251.12892	23.2
252.13104	3.1
261.14795	2.7
263.09113	3.1
263.12738	2.9
263.15817	0.8
272.59702	0.8
275.12808	2.6
277.10828	0.8
277.14410	1.5
289.11279	1.0
289.14319	12.3
289.17947	3.0
289.21487	2.2
290.14874	1.6
291.12143	0.9
293.13925	15.6
294.14221	2.8
303.15869	1.4
319.15451	2.0
321.13092	0.9
322.14191	5.6
323.14261	0.9
331.15555	0.9
331.19135	4.2
333.16837	1.5
333.20520	1.2
337.16629	8.1
338.16669	1.0
345.20587	0.9
348.18991	1.0
373.19870	1.2
375.18179	21.6
376.18195	2.7
387.21500	3.4
392.18073	0.9
401.23096	2.5
429.22754	8.2
443.24039	1.7
444.24915	1.8
461.25174	100.0
462.19516	1.3
462.25592	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18986	1.2
57.03447	19.5
59.01374	1.4
68.99829	3.3
69.60470	9.5
69.60803	1.6
71.05029	13.0
81.03447	1.2
83.05034	6.4
85.02953	4.6
85.06602	100.0
86.06934	2.3
87.04529	30.3
95.05045	3.4
99.08160	1.6
107.05048	1.4
109.02962	6.9
109.06599	1.4
111.04539	42.0
111.08195	4.6
113.06110	5.0
121.06616	2.2
121.10285	1.2
123.04566	2.9
123.08188	7.8
125.06100	3.1
127.07719	1.7
135.08212	4.6
137.06110	7.0
137.09764	3.6
139.07700	3.5
139.11310	3.6
141.09239	6.1
147.08249	1.4
149.06087	1.8
151.04042	3.4
151.07718	1.6
153.09280	2.8
155.07115	1.3
156.00047	1.0
163.11351	2.8
163.51436	1.2
165.09248	6.2
165.12851	5.2
166.02621	1.0
166.13255	1.2
167.14270	1.2
175.64288	1.1
177.09221	1.2
179.07185	3.5
181.12383	3.6
182.57442	1.1
191.14513	2.0
193.08736	5.0
195.10268	8.4
205.12337	4.4
207.10289	16.4
207.13914	13.6
209.11971	11.0
209.15483	45.9
209.17473	2.3
210.15804	3.2
217.08565	1.6
219.06665	1.2
221.08060	5.2
222.08888	2.5
223.13359	2.1
225.11359	6.8
233.11797	2.0
235.09756	41.9
235.13260	5.4
236.10355	6.3
249.11188	1.3
251.12825	5.5
253.10818	12.2
268.11984	1.1
275.16476	2.4
277.14392	2.2
289.14581	2.2
291.15869	2.0
293.14383	1.6
293.17603	26.7
294.18048	2.1
305.17709	2.1
322.14157	1.9
329.21295	1.6
331.19308	1.3
333.17047	3.5
337.16614	10.5
338.17035	2.1
345.20468	1.7
347.22360	5.0
348.19382	1.9
375.18295	4.2
392.22018	3.7
399.25253	1.8
417.26471	26.3
418.26749	3.2
429.22995	2.0
461.25220	26.9
461.29623	17.7
462.25323	4.1
462.29947	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	461.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
65.90215	0.6
67.05527	0.9
68.99821	12.2
69.83175	3.9
69.83560	1.3
71.05022	0.8
81.16012	0.6
83.05052	1.9
85.06601	1.8
87.04527	2.4
87.95277	0.6
90.21259	0.6
95.05081	0.7
97.06573	0.6
109.02964	1.4
109.06599	1.8
111.04536	100.0
112.04874	2.7
113.06106	70.5
114.06421	1.9
121.06586	1.2
123.04556	1.3
123.08189	8.4
135.08191	0.8
139.04050	3.5
139.07629	0.7
149.09718	0.7
151.04036	2.6
152.04813	0.9
158.18333	0.7
163.07755	0.7
165.05666	1.6
165.09190	0.8
167.07129	1.8
175.11305	0.9
177.01967	1.5
177.09282	1.0
177.23709	0.6
179.07169	5.2
180.04262	2.5
182.05843	1.8
191.07104	0.8
191.10805	1.3
192.07930	1.1
193.08687	3.5
194.05832	1.5
195.06583	0.9
195.10509	0.8
198.05373	2.3
200.03171	0.8
201.62808	0.7
205.05060	1.5
207.06647	2.3
207.10329	1.4
208.07260	1.0
209.08284	0.7
212.06947	2.0
219.06682	2.4
219.10300	1.9
220.07465	1.8
220.10750	0.9
221.08194	27.3
221.11691	1.4
222.08957	12.0
223.09558	0.8
233.08276	1.5
233.11812	11.6
234.12560	1.3
235.09607	3.0
245.15483	2.3
247.09688	1.7
247.13394	1.7
249.11356	0.8
251.12920	9.0
252.06339	0.7
259.13309	1.0
261.11276	1.3
261.15002	3.2
262.15594	2.1
263.12909	1.9
275.12927	0.9
277.14539	0.8
289.14529	14.4
289.18036	1.9
290.15253	7.0
291.16010	11.9
292.16431	1.4
293.14047	4.7
303.16040	3.7
304.16586	1.1
319.15552	3.1
321.16998	0.8
322.14240	1.9
331.19165	3.1
336.15961	0.8
337.16486	3.5
345.20685	1.2
375.18127	20.6
376.18228	1.6
387.21786	2.1
388.22046	0.8
401.19232	1.1
401.23700	1.2
429.22699	7.0
430.23001	1.0
431.24368	0.8
443.24332	2.4
444.25168	3.5
461.25433	85.2
462.25803	16.9
476.23581	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
57.03453	18.2
69.51664	15.4
69.52004	1.9
71.05008	9.6
83.05030	100.0
84.05370	2.6
85.02947	3.7
85.06595	28.2
87.04520	71.8
88.04841	2.7
95.05039	2.3
99.04532	10.6
101.06073	11.7
111.04530	13.7
111.08193	1.8
113.06134	2.8
115.04044	3.1
121.06646	2.3
123.08179	4.6
126.53728	1.8
127.07679	1.9
135.08139	2.4
137.06100	1.8
139.04015	27.8
141.09261	5.0
149.42323	1.7
151.11316	9.5
155.10770	2.1
163.11276	3.5
165.12875	5.5
181.12335	4.8
182.05838	15.1
186.05415	8.6
189.86176	1.7
191.10809	2.9
193.08754	2.2
194.00464	1.7
195.10217	3.0
205.12376	2.6
207.10356	3.4
207.13887	5.5
209.11870	14.0
209.15414	7.9
219.17595	5.8
221.08147	5.4
221.15604	3.8
222.87244	1.5
225.14975	4.3
235.09917	2.9
251.12871	61.9
252.13245	4.0
253.10785	37.3
254.11108	2.0
261.14813	1.6
275.12991	2.1
275.16321	2.5
277.14447	3.0
289.21725	47.0
290.21994	3.7
293.13947	38.4
293.17584	9.2
294.14316	3.0
322.14166	10.0
323.14572	2.5
329.21414	2.0
333.20557	2.5
337.16568	19.8
338.16782	3.5
345.20648	2.4
363.21667	4.1
375.18094	2.1
392.18253	1.8
417.26468	9.6
429.22958	3.2
461.25381	50.8
462.25955	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	461.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18659	0.6
57.03439	2.2
63.30765	0.6
63.35308	0.6
64.64938	0.5
67.05531	0.6
68.99820	11.1
69.49477	5.1
69.49888	1.5
71.05023	0.8
73.76272	0.6
78.87262	0.6
79.05538	1.4
83.05042	4.2
85.06612	2.1
87.04511	3.0
95.05014	0.6
98.20618	1.3
109.03013	1.3
109.06567	0.8
111.04536	100.0
112.04861	3.4
113.06101	32.8
114.06421	0.9
121.06595	1.2
123.04540	2.1
123.08179	7.6
133.06566	0.7
139.04034	2.7
147.04593	0.6
150.03273	0.7
151.04039	1.4
151.11269	0.6
153.09232	1.1
159.08165	0.7
165.05595	5.2
175.07663	0.6
175.11308	2.5
177.09291	4.3
179.07167	5.8
179.10770	1.2
181.08751	1.2
182.05850	2.2
184.72737	0.6
191.10762	1.8
192.07951	0.6
193.08553	0.8
195.06583	0.9
201.09224	1.0
205.08719	0.8
207.06583	2.4
208.07262	1.0
209.08202	1.5
209.11867	0.7
212.06850	1.9
219.06758	1.4
219.10284	9.0
219.13835	0.9
220.10643	1.2
221.08221	13.0
221.11647	1.0
221.15556	1.6
222.08949	5.5
223.09737	3.3
225.14844	0.7
233.08165	1.6
233.11765	0.9
235.09641	2.4
245.11899	0.8
245.15445	4.9
247.09842	4.1
247.13139	0.7
251.12900	6.1
260.14340	1.0
261.11395	1.4
261.14951	4.0
261.18506	0.6
262.15488	0.7
263.12943	1.5
275.12921	8.3
277.10840	4.2
278.11407	1.2
287.16470	1.0
289.14459	25.4
289.21735	1.8
290.15051	5.9
291.12592	1.3
291.15918	2.8
293.14090	3.4
303.16061	1.8
304.13153	1.0
305.13956	1.2
317.13974	1.9
317.17410	1.3
319.15369	0.7
322.14191	1.5
331.15552	17.7
331.19183	2.9
332.16077	3.3
333.17139	0.9
333.20667	2.8
335.15048	2.0
337.16574	0.9
343.22705	4.5
345.17026	0.9
345.20779	1.6
360.19266	1.2
361.20120	0.8
373.20297	1.1
375.18149	24.5
376.18341	3.2
387.21762	38.4
388.22165	5.3
401.19122	1.0
401.23450	2.0
402.23965	0.8
429.22891	10.2
430.22964	1.3
443.24496	3.6
444.25046	1.9
461.25449	90.3
462.25821	16.0
476.24152	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	461.2544
Annotation	Incisagenin
Peak:m/z	Relative Intensity
53.42039	0.2
70.83380	0.4
87.04527	2.2
88.13441	0.2
95.66619	0.2
103.69293	0.2
109.02950	0.2
113.02502	0.2
113.35661	0.2
120.08749	0.2
123.73980	0.2
125.02433	0.5
131.69431	0.2
137.02446	0.5
137.13467	0.2
138.03221	0.2
139.03999	0.7
151.04005	0.5
153.01941	1.4
159.13219	0.2
159.14536	0.2
166.02681	0.5
167.03459	1.4
168.04303	3.8
169.04468	0.2
172.37202	0.2
179.03488	0.5
181.05072	1.9
209.04546	2.4
210.05069	0.2
239.81279	0.2
263.09204	0.7
264.10001	0.5
265.10626	0.2
275.13303	0.2
276.13474	0.2
277.14508	1.7
279.12347	0.6
293.13947	2.0
303.12387	0.6
304.13159	0.4
305.13766	0.2
321.13449	3.9
322.14212	84.3
323.14569	9.0
391.21341	2.3
392.18268	2.8
392.22293	0.3
393.18787	0.5
461.25443	100.0
462.25760	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	461.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
56.81911	0.8
57.03446	9.8
63.99585	0.8
67.01887	2.4
69.59709	7.6
69.60035	1.5
70.07090	0.8
71.05014	4.9
72.58155	0.7
83.05035	100.0
84.05349	2.4
85.02951	6.8
85.06599	1.7
87.04527	69.6
88.04847	1.5
99.04532	11.7
101.06108	11.2
111.04552	4.7
115.04002	2.4
121.03751	0.8
123.08156	2.4
127.07658	1.5
137.09755	2.1
139.04028	27.8
140.04449	0.8
141.09242	4.8
144.04308	1.1
145.05037	1.1
151.11308	11.6
152.11562	1.1
154.06319	1.5
156.07945	0.8
161.09808	1.0
165.12881	6.5
181.12392	4.5
182.05836	11.7
183.06342	1.5
186.05383	7.0
187.07785	0.8
191.10759	1.9
197.15424	3.3
207.13919	2.5
209.11841	17.4
210.12181	1.1
219.10542	0.8
219.17569	6.5
221.15434	3.6
223.13309	1.5
225.14951	6.2
251.12894	63.7
252.13322	4.8
253.10808	44.2
254.11087	5.1
275.12805	2.7
275.16565	2.6
280.13089	1.1
289.21744	48.6
290.22174	5.9
293.14005	29.7
293.17273	1.8
294.14304	2.1
322.14188	8.2
333.20688	3.7
337.16556	15.8
338.16571	1.6
361.20407	1.1
363.21750	3.3
364.18713	1.2
391.21295	2.4
392.18243	1.4
429.22784	5.1
430.23044	1.0
433.25775	2.1
434.26224	1.0
461.25366	63.0
462.25729	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.5
59.01374	0.8
60.54626	0.4
66.64182	0.3
69.03447	0.4
69.84109	1.4
69.84541	1.1
70.14773	0.4
71.01373	0.3
73.51825	0.4
79.05516	0.5
83.05024	0.7
85.06606	10.3
87.04546	1.8
91.23708	0.3
95.05026	0.7
97.06606	17.4
98.06973	0.5
98.19926	0.6
107.05055	0.5
109.06619	1.3
111.04540	24.2
111.08173	17.8
112.04883	0.7
121.06627	2.6
123.04570	1.9
123.08190	2.7
125.06142	0.4
135.04558	1.0
136.05309	0.6
137.02348	0.4
139.07680	3.2
144.52611	0.4
148.08931	0.8
149.06075	0.6
149.09775	1.9
151.04082	0.5
151.07610	0.9
156.24585	0.4
161.06099	0.5
162.34375	0.4
163.04114	0.4
163.11305	0.7
164.08363	0.6
165.05580	0.5
165.09224	0.6
175.07635	1.6
176.28783	0.4
177.05534	0.4
177.09183	0.8
191.10808	7.1
191.14386	2.7
192.11122	0.6
193.08728	9.4
193.12370	0.9
194.09045	0.4
201.12813	0.5
203.14372	1.7
205.08719	0.8
205.12376	0.8
217.12224	0.8
219.10278	0.5
220.10828	0.4
221.08163	4.0
222.08820	1.1
229.12318	0.5
231.10268	0.5
233.08040	0.8
235.09761	2.9
247.09723	0.7
249.11363	0.4
256.14600	1.2
257.15387	1.1
258.15671	0.4
261.14975	0.6
261.18561	4.1
273.18680	2.1
275.09232	0.8
275.16415	0.7
287.16388	0.7
305.17578	1.8
315.19498	0.8
317.17636	1.1
317.31335	0.4
327.19614	2.5
328.19949	0.5
335.06494	0.4
343.15701	4.0
343.22745	7.3
344.23212	0.9
361.16345	0.5
361.20255	5.0
362.20486	0.9
369.20612	1.0
371.18781	0.7
385.19867	0.5
385.23895	4.9
386.24265	1.1
387.21600	0.6
428.21741	0.6
429.22836	100.0
430.23196	18.0
443.24591	2.2
461.25375	69.0
462.25732	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	461.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.3
57.03456	5.2
66.73268	0.6
67.05547	0.8
68.99810	8.8
69.51777	6.8
71.05037	1.0
81.75079	0.7
83.05033	14.8
85.06624	2.2
87.04522	14.8
90.27269	0.7
97.06689	0.7
98.20633	1.5
99.04535	1.2
109.02995	1.2
109.06600	0.9
111.00887	0.8
111.04535	64.0
112.04889	2.2
113.06098	25.0
114.06447	1.3
115.04031	1.8
121.06633	1.1
123.04548	1.7
123.08191	8.8
135.08199	1.3
137.02516	1.6
137.06107	0.8
137.09784	0.7
138.03246	1.2
139.04034	52.8
140.04382	2.6
151.04039	1.8
151.07660	1.2
151.11325	0.9
152.04869	1.2
152.77345	0.7
153.05589	4.0
153.09297	1.3
154.06375	0.8
163.11301	1.3
165.05597	2.3
165.12856	1.5
167.07176	1.6
168.04285	1.3
173.80072	0.7
179.07143	2.9
180.04335	1.2
181.05052	0.9
182.05862	22.7
183.06264	1.3
186.05363	10.9
191.07228	1.1
191.10840	1.7
192.07860	1.0
193.05202	0.9
193.08665	1.1
195.06587	0.8
198.05386	0.9
203.10876	0.8
205.08614	1.1
207.06718	2.0
209.11780	1.4
219.06642	1.2
219.10222	1.3
219.17537	1.3
220.07394	0.9
221.08203	13.4
222.08946	5.4
223.09756	1.1
233.08208	2.2
233.11813	3.8
235.09756	1.3
245.15456	1.3
247.09669	0.9
251.12874	100.0
252.13173	7.2
253.10783	3.9
261.11273	0.8
261.14948	2.2
263.09259	1.1
263.12558	0.8
267.12469	1.1
275.12827	3.0
275.16516	0.9
277.14627	1.0
289.14435	5.2
289.21768	3.6
290.14905	1.1
291.15958	3.4
293.13937	72.3
294.14310	7.5
303.15878	1.1
319.15533	1.6
321.13477	1.2
322.14236	15.0
323.14505	1.7
331.18991	1.9
333.20749	2.0
337.16568	22.0
338.16870	2.8
375.18155	6.8
376.18390	1.0
392.17969	1.3
401.23459	0.9
429.23019	3.6
461.25357	37.8
462.25787	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	461.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.1
68.99824	7.1
71.18420	1.4
71.18784	1.5
72.38432	0.9
72.95126	0.7
83.05003	2.1
85.06566	2.7
87.04491	2.4
91.64156	0.8
96.02174	0.9
97.02952	0.9
99.38462	0.7
107.08783	0.8
109.02937	1.1
109.06551	2.4
111.04537	85.2
111.20013	0.9
112.04838	3.5
113.06114	18.7
114.06522	0.8
123.04459	1.2
123.08179	4.1
137.10367	0.7
139.03969	1.5
139.07607	1.3
149.09714	0.9
151.03960	2.6
153.09235	1.6
165.05553	1.2
177.01869	1.4
177.09097	0.7
179.03386	1.0
179.07098	1.7
179.10707	0.9
191.07138	0.9
191.10742	1.0
192.07903	1.7
193.08607	2.8
194.05795	1.0
198.05325	1.5
205.04984	1.9
205.08398	0.8
207.06506	1.3
207.10170	0.9
209.11746	1.4
212.07027	1.1
219.06522	2.7
219.10109	1.9
220.07294	2.4
221.08188	14.2
222.08870	5.0
223.09599	0.8
233.08078	3.0
233.11815	6.0
235.09769	6.9
235.13245	1.4
245.11768	0.8
245.15475	2.1
247.09615	1.6
249.11209	2.2
251.55276	0.9
253.10800	1.0
254.11087	0.8
255.11290	1.4
261.14905	1.4
263.08997	2.3
263.12720	2.2
265.03186	0.9
273.14807	0.8
275.12872	0.8
289.11719	0.9
289.14310	9.8
289.17935	3.3
290.14856	3.5
291.12173	1.9
303.15912	1.7
306.53091	0.8
319.15460	2.1
320.16043	1.0
321.16968	1.0
331.18863	3.2
332.15866	1.1
333.16928	1.4
345.20706	1.1
373.19928	1.1
375.13669	1.2
375.18152	21.6
376.18454	2.3
387.21793	5.1
401.23096	2.4
429.22739	7.9
430.22910	1.5
443.24060	3.0
461.25159	100.0
462.25491	17.8
476.23950	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	461.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
57.90005	1.3
59.56258	1.3
69.58566	1.6
69.58907	12.9
73.99657	1.4
85.06596	4.7
87.04510	2.1
92.06500	1.3
97.06587	6.7
98.19905	2.3
111.04538	18.7
111.08186	8.8
123.08155	3.1
125.06021	1.5
151.04005	2.8
152.04373	1.4
158.66289	1.3
168.74400	1.8
180.04262	4.4
191.10762	3.8
193.08636	4.7
196.49147	1.4
197.10147	1.5
201.87502	1.3
207.06613	2.0
208.07347	2.3
209.08017	1.6
221.08188	19.0
222.08937	16.0
223.09496	1.6
233.08162	2.5
235.09735	30.7
236.10262	5.0
249.11282	4.5
251.12772	1.8
279.12390	3.4
289.14536	2.4
299.12851	2.7
317.13962	2.6
326.63593	1.9
333.17120	3.5
335.18845	2.7
341.13623	1.6
342.14325	1.6
343.15427	2.3
343.22751	3.8
375.18094	2.8
385.23956	2.8
387.21747	1.8
392.22034	2.0
411.21994	2.5
429.22815	100.0
430.23151	15.0
443.24506	1.7
461.24463	64.5
462.24805	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	461.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
57.03451	4.5
57.08247	0.6
64.58099	0.6
67.05524	1.1
68.99818	7.0
69.82607	1.2
69.83016	3.1
71.05019	2.0
77.94973	0.8
83.05032	34.0
85.02963	1.6
85.06593	2.9
87.04523	26.1
95.05061	1.0
98.20594	1.3
99.04527	3.2
101.06096	4.0
109.02978	1.6
109.06621	2.9
111.00893	1.3
111.04534	88.7
112.04875	3.3
113.05336	1.4
113.06105	22.9
115.04014	2.7
121.06597	1.3
123.04487	0.8
123.08163	4.4
128.93993	0.8
135.08173	0.9
137.02473	1.9
137.09819	0.9
139.04027	54.9
140.04356	2.4
141.09250	2.1
149.02469	0.8
151.04027	1.5
151.11298	3.2
153.05598	1.3
153.09212	0.8
154.06398	0.9
162.49265	0.7
165.05510	1.5
165.12856	2.3
167.07195	0.7
175.11194	0.7
177.01935	1.4
177.09155	0.9
179.03604	0.7
179.07094	1.9
181.12332	1.2
182.05859	21.2
186.05356	10.6
189.29103	0.8
191.07109	0.8
191.10750	1.2
192.07915	2.2
193.05106	1.0
193.08705	1.9
195.06506	0.7
195.97577	0.7
197.15469	1.1
201.12813	0.8
205.05045	1.9
207.06610	1.5
207.10291	1.0
209.11812	5.5
219.06612	3.1
219.10229	2.3
219.17513	1.9
220.07291	2.2
221.08192	12.0
221.15456	1.3
222.08952	1.3
225.15028	1.7
233.08244	3.3
233.11841	2.8
235.09720	1.3
245.15446	1.2
247.09695	1.3
247.13354	1.0
251.12871	100.0
252.13219	9.2
253.10793	8.3
259.13654	0.9
261.11313	2.0
261.14877	2.0
263.09283	2.5
263.12833	2.0
275.12955	4.7
275.15686	1.0
277.14502	0.8
289.14780	6.4
289.18112	3.4
289.21680	25.2
290.22168	3.4
293.13947	45.9
294.14246	5.7
303.15811	1.4
304.13232	1.3
317.13837	1.1
319.15448	1.7
321.13333	1.3
322.14182	10.3
323.14499	1.2
331.19110	2.0
337.16544	24.0
338.16760	2.6
373.20093	1.1
375.18097	11.8
376.18768	0.9
387.21655	1.6
391.21439	1.4
392.18427	1.0
401.23184	1.9
429.22787	3.9
443.24573	1.0
461.25397	29.1
462.25940	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	461.2547
Annotation	Incisagenin
Peak:m/z	Relative Intensity
51.75150	0.2
57.03449	3.0
59.01381	0.7
61.98816	0.5
67.05527	0.5
68.99817	0.7
71.05016	0.3
71.48280	0.5
83.05048	0.8
85.06600	1.2
86.19022	0.3
87.04530	4.7
95.05030	0.6
97.06622	0.3
107.05008	0.3
109.02983	0.4
109.06627	0.6
111.04539	42.9
112.04892	1.6
113.06127	0.4
114.74790	0.3
121.06618	1.2
123.04556	0.9
123.08140	0.6
125.06136	0.4
136.78906	0.3
137.09752	2.3
138.68402	0.2
139.04019	0.7
139.07654	0.5
149.09708	0.4
151.04012	0.5
153.02007	0.4
155.14333	0.3
160.94939	0.3
161.09650	0.3
163.07701	0.3
163.11299	0.3
165.12881	0.3
166.02655	0.4
167.03482	0.6
168.04288	1.4
175.07681	1.2
177.05388	0.3
177.09216	0.7
179.07259	0.4
181.05092	0.7
181.28036	0.3
189.12817	0.6
191.10820	0.8
193.08699	3.0
195.06613	1.1
205.08780	0.3
207.10278	1.8
209.04530	0.8
217.15973	0.8
219.10287	0.4
221.08174	1.2
222.08940	0.6
225.11305	1.0
229.15988	0.4
231.13927	0.3
233.08131	0.6
235.09741	1.1
241.01491	0.3
251.12869	0.9
253.22656	0.3
263.09305	0.5
265.14331	0.3
269.19095	0.7
270.01529	0.4
277.14368	0.5
279.12628	0.3
279.23541	0.3
282.73535	0.3
287.20206	2.9
288.20609	0.5
291.16086	0.9
293.13858	0.8
301.18356	0.3
303.12399	0.4
321.13458	0.8
321.17087	0.8
322.14221	12.5
323.14529	1.2
331.19156	25.3
332.16290	0.3
332.19531	2.7
349.20340	1.5
375.18259	0.4
377.23499	0.4
387.18240	0.7
391.21329	0.5
396.39676	0.4
401.19348	0.4
443.24146	0.5
461.25439	100.0
462.25787	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94441	0.4
53.88402	0.4
55.01887	1.2
57.03465	1.0
58.00592	3.4
59.01379	75.3
60.01712	1.3
60.99298	0.7
61.02912	0.6
61.98830	17.9
69.03464	5.3
69.65939	2.2
69.66360	1.5
71.01387	68.7
72.01722	1.4
72.99316	2.8
73.02953	13.6
74.03276	0.4
75.00885	2.7
81.03474	2.9
82.51803	0.5
83.01379	3.3
85.02959	6.9
87.00890	1.9
87.04502	0.8
88.98828	4.6
89.02452	100.0
90.02789	1.8
93.03439	0.5
95.01407	2.6
95.99408	0.6
97.02961	9.7
99.00895	22.9
99.04530	1.6
101.02457	32.2
102.02759	0.8
103.35668	0.4
107.01427	0.4
109.02943	0.9
111.00860	1.0
113.02467	7.6
114.14599	0.4
114.64612	0.5
115.04028	5.4
119.03481	1.8
125.02463	36.5
125.09699	0.6
126.02782	1.4
127.04012	0.5
131.03516	14.8
143.03481	4.3
147.11754	1.0
149.04573	38.0
149.09657	0.9
150.04898	1.4
154.09224	0.4
161.04584	2.8
167.10788	18.4
168.11057	1.3
173.04498	1.2
175.06133	0.5
177.12769	0.7
191.03975	0.7
191.05626	13.7
191.10767	3.6
207.10126	0.6
209.11850	2.4
211.13133	0.5
216.00505	0.4
221.06552	1.6
221.11829	3.9
225.11235	0.5
233.06665	18.9
234.06934	0.8
239.12729	1.3
241.01347	1.4
242.02048	0.6
245.00734	0.8
251.07552	0.7
257.04318	0.4
259.02405	0.5
270.01468	1.2
271.02271	1.0
275.07700	1.1
285.24591	0.5
293.08783	33.2
294.09189	2.5
298.00845	0.7
299.01785	1.5
299.18472	1.3
311.09790	0.6
327.21524	1.0
329.10245	0.8
351.13348	0.5
461.07074	2.2
461.25504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31990	1.4
57.03448	14.1
57.53205	1.3
59.01380	48.2
61.98833	2.8
67.01879	1.4
69.03442	2.8
71.01385	23.2
72.99303	5.5
73.02930	4.7
75.00876	13.6
81.03460	1.9
83.01380	4.0
83.05032	4.3
85.02962	8.9
88.61150	1.5
89.02462	10.5
93.03472	1.9
95.01389	2.0
95.05042	2.2
96.96033	1.4
97.02941	2.2
97.06588	4.3
99.00842	2.5
101.02456	14.6
107.05066	1.9
108.02194	2.4
109.02964	2.2
109.06624	2.0
113.02462	9.3
119.03482	1.8
121.02988	1.7
121.06605	14.5
123.04540	11.0
123.08154	6.9
125.06060	2.4
126.90439	1.6
128.03503	1.7
131.03514	2.9
131.08685	3.9
133.06590	2.5
135.04541	3.3
135.08168	4.8
137.03523	1.3
144.05855	11.3
144.24139	1.4
146.04614	5.3
149.06046	1.7
149.09753	31.3
150.10039	2.2
151.04085	2.5
151.07628	9.3
153.05598	2.5
159.02997	2.2
159.08180	10.2
161.04575	13.1
161.05978	2.6
161.09720	3.1
161.92920	1.3
163.07707	3.6
173.09682	3.1
175.07684	1.8
175.11215	3.6
177.09229	100.0
178.09558	6.6
179.10794	6.3
179.64203	1.3
181.41255	1.4
187.07623	2.4
188.08391	6.2
191.10764	3.6
203.10777	19.5
205.08727	5.0
206.09471	2.9
218.36685	1.4
219.10196	2.2
221.11827	75.8
222.12160	4.2
229.32573	1.4
237.05972	1.8
237.11342	1.5
239.09149	1.8
239.10661	2.6
239.12889	36.5
240.13243	4.6
255.12321	8.9
269.10275	12.7
270.10504	1.8
273.80154	1.6
281.10370	18.2
299.11353	22.8
315.08817	9.1
323.11447	7.3
324.11606	1.8
341.12399	2.1
401.18268	59.3
402.18634	9.0
417.17740	3.8
443.15594	2.6
461.16013	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	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67148	1.3
57.03441	3.7
58.00586	2.6
59.01381	49.4
61.14225	1.1
69.03471	2.7
70.05444	3.9
70.05857	2.7
71.01398	9.1
72.99310	27.3
73.02966	1.2
75.00878	55.1
83.05036	14.2
83.85722	1.0
85.03001	1.6
87.00910	1.2
87.04500	1.5
89.02444	6.0
93.03481	1.7
95.05065	1.4
97.06615	1.3
98.20544	1.5
99.00890	1.2
101.02460	4.5
103.00394	9.4
107.05032	3.2
113.02453	2.6
113.59085	1.0
113.72209	1.2
119.03500	1.7
123.04526	6.5
123.08147	1.4
125.06073	1.8
130.04257	3.0
131.08699	1.3
133.06602	1.4
133.10262	2.3
135.04575	1.8
143.08661	1.7
147.08212	1.5
149.06090	4.0
157.05103	1.8
157.06544	1.6
157.10219	2.4
159.08144	3.4
161.09755	4.9
163.11322	2.8
165.05617	2.0
173.09660	3.9
175.07751	2.2
175.11282	4.5
177.09225	9.1
179.10858	1.8
187.07654	2.0
189.09276	2.8
191.10793	3.4
201.09186	4.9
205.08691	11.5
207.10262	2.0
219.10234	6.8
225.11327	3.8
237.11324	14.0
238.11723	1.1
239.09180	2.0
255.12370	47.7
256.12759	4.5
263.09265	15.4
264.09695	2.0
269.10297	3.4
281.10300	100.0
282.10675	10.6
297.13385	1.2
299.11356	50.7
300.11633	2.8
321.84814	1.4
323.11371	3.2
382.55890	1.3
383.13419	1.5
443.15591	13.6
444.16193	2.2
461.16702	34.7
462.17145	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03460	0.9
58.00593	1.2
59.01382	27.1
59.98526	1.2
60.01712	0.5
60.99293	0.2
61.98834	8.9
68.99822	0.2
69.03458	2.2
69.78670	0.8
69.79079	0.4
71.01389	35.4
72.01735	0.5
72.99319	1.9
73.02954	3.0
74.02474	0.2
75.00887	0.5
79.01917	0.2
81.03470	1.8
83.01399	1.8
83.05038	0.4
85.02959	5.1
87.00893	1.1
87.04539	0.4
88.98808	0.2
89.02457	40.4
90.02784	0.7
91.04004	0.2
93.03503	0.2
95.01412	1.0
97.02968	3.1
98.03798	0.2
99.00897	1.4
99.04540	1.4
101.02460	8.9
102.02734	0.2
109.02979	0.2
111.00887	0.2
111.04550	2.0
113.02474	6.4
113.06107	0.7
119.03515	1.7
121.10246	0.2
123.08158	0.3
125.02468	16.5
125.06093	0.3
125.09695	0.2
126.02811	0.4
127.04093	0.2
128.77739	0.1
129.01953	0.2
131.03529	9.7
132.03848	0.3
139.04042	1.1
143.03542	1.7
149.04581	12.5
150.04884	0.3
151.00334	0.6
161.04591	1.0
163.00316	0.2
163.11247	0.2
167.10797	100.0
168.11131	6.3
173.04567	0.4
182.05811	0.2
182.63344	0.2
188.36026	0.1
191.05638	3.8
191.10789	0.5
192.06027	0.2
207.10266	0.3
209.11807	0.3
214.02666	0.2
221.08170	0.5
222.08824	0.2
223.09648	0.2
233.06691	3.1
235.09738	1.1
239.12888	4.4
240.13190	0.4
241.01431	1.0
242.02101	0.5
243.02927	0.2
245.00912	0.6
249.11356	0.2
251.12912	0.9
263.12958	0.2
270.01633	1.3
271.02499	1.0
275.07510	0.2
282.10114	0.2
285.04169	0.4
293.08786	11.5
293.13538	0.8
294.09103	0.9
298.01135	0.3
299.01965	1.1
322.14291	0.2
327.21756	0.8
333.16928	0.3
337.16348	0.3
375.18063	0.3
417.21304	0.4
461.07498	2.2
461.13855	0.2
461.19925	0.4
461.24725	2.4
462.07611	0.6
462.26691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28902	0.2
57.84047	0.3
59.01377	5.4
60.99307	13.4
61.01801	0.3
61.98832	6.0
65.00316	0.7
70.85490	0.4
70.85867	0.6
71.01026	0.3
71.01368	1.4
75.00878	0.3
81.03462	0.4
83.01412	0.4
85.02969	0.6
88.04073	0.3
88.98814	100.0
89.02436	0.7
89.99157	1.2
93.03524	0.4
97.02989	0.3
99.00893	0.3
101.02460	0.7
107.01395	1.1
109.06589	1.8
111.04542	0.7
113.06103	0.3
117.03513	0.3
118.58000	0.3
119.03530	0.4
125.02466	0.4
125.06145	0.4
135.04544	0.5
136.25371	0.2
137.02426	0.4
146.03674	0.3
151.00383	2.0
157.06592	0.3
159.04547	1.1
161.02467	1.2
163.11319	0.8
165.09215	0.5
177.05647	0.4
179.05591	0.4
181.12334	0.5
185.02336	0.3
199.03943	0.3
201.05560	0.7
207.10265	4.7
209.08163	2.8
210.08652	0.3
214.02728	0.5
225.11285	2.7
227.03491	1.0
241.01447	2.2
241.05107	1.4
242.02180	2.6
243.02936	1.0
245.00658	0.6
245.04546	14.0
246.04863	0.9
251.12906	0.3
253.09282	0.9
256.03677	0.3
257.04492	1.5
269.04510	2.0
270.01678	2.5
270.04312	0.4
271.02399	2.6
272.02878	0.4
280.47250	0.3
280.80182	0.2
285.04001	0.5
287.05630	0.8
293.13812	0.3
298.01196	0.8
298.04776	1.4
299.01923	3.4
299.05200	0.4
299.18451	0.3
300.02466	0.6
322.14023	0.3
341.06763	0.7
357.13644	0.3
359.07813	0.6
371.13599	0.7
401.08774	1.1
402.08591	0.3
419.09937	0.4
461.07260	4.2
461.11658	1.3
461.19696	0.8
461.25299	2.0
462.07254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54983	0.2
59.01377	1.8
60.99307	12.4
61.98846	1.6
70.20014	0.4
70.20426	0.8
71.01385	0.5
85.67017	0.2
87.33038	0.2
88.98814	100.0
89.99152	1.4
98.63775	0.2
101.02441	0.3
125.02425	0.3
165.09203	0.6
167.10739	0.3
191.05664	0.2
204.00572	0.2
207.10254	1.1
209.08188	3.2
211.04099	0.2
214.02708	0.4
225.11311	0.8
241.01366	1.4
242.02161	1.3
243.03041	0.3
245.00928	0.7
253.09242	0.2
270.01709	2.4
271.02499	1.7
285.03986	0.5
298.01083	0.5
299.01889	1.9
300.02563	0.4
341.06696	0.5
371.13681	0.5
375.05869	0.3
383.83270	0.2
406.85703	0.2
461.07220	4.1
461.20172	0.8
461.25525	0.3
462.08026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0725
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
51.33014	0.2
53.73287	0.2
57.03453	1.4
58.00585	0.2
58.54206	0.2
59.01377	5.3
61.47350	0.2
63.02399	0.8
65.00330	0.3
68.99833	0.5
71.01386	6.7
72.99302	1.0
73.02952	0.5
75.00883	1.8
83.01402	0.7
84.02152	0.3
85.02964	8.3
86.03286	0.2
87.00883	2.0
88.96223	0.2
89.02480	0.9
91.01914	0.3
93.03465	1.8
95.01394	2.5
99.00896	3.8
99.84077	0.2
101.02447	0.2
103.00378	1.7
107.01398	2.4
109.02969	0.8
111.00874	0.3
111.04546	0.4
113.02468	13.9
113.72775	0.2
114.02834	0.4
114.26547	0.2
115.00381	0.8
117.01955	1.3
117.03453	0.5
119.01395	0.4
121.30727	0.2
122.67821	0.2
123.00858	0.2
129.01945	0.8
131.05061	0.4
135.00888	1.2
137.02469	0.4
143.05023	1.4
145.03021	0.3
145.06660	0.2
151.00385	1.5
153.01947	0.4
154.04288	0.5
155.05028	0.5
156.70764	0.2
157.06612	0.8
159.04503	1.9
161.02423	0.2
163.00400	2.1
164.01093	0.3
165.01984	0.4
167.05026	0.7
169.06621	1.1
171.04567	0.6
173.02438	0.3
173.06024	0.3
175.02505	3.3
175.03963	0.4
183.04539	0.6
184.05315	0.2
185.06087	3.0
186.03285	0.2
187.04025	3.6
188.04355	0.3
189.05586	1.4
194.37659	0.2
195.04509	0.7
196.05275	0.2
197.06058	0.9
198.03233	0.3
199.03992	1.1
201.05598	0.7
205.05191	0.2
211.04044	1.7
212.04651	0.5
213.05554	2.1
214.02695	0.7
214.05890	0.2
215.03497	0.5
216.10809	0.2
217.04996	0.2
223.04105	0.2
227.03534	3.2
228.03865	0.3
229.05061	12.5
230.05389	0.8
239.03506	1.1
240.04233	0.8
241.01480	0.9
241.05011	1.4
242.02173	0.5
242.05330	0.2
243.03008	0.7
245.00932	0.4
255.02930	1.4
256.03821	1.1
257.04559	6.3
258.04865	0.7
267.02939	0.8
270.01660	1.0
271.02420	1.0
284.03271	0.4
285.04050	100.0
286.04391	10.7
286.07678	0.3
298.01263	0.5
299.01852	0.9
461.07260	6.2
461.13443	0.6
461.25308	0.3
462.07361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.03449	3.9
67.14096	0.2
69.03448	0.4
71.01365	0.2
71.05024	0.6
79.01858	0.3
79.05507	0.2
80.02100	0.2
83.05022	0.9
87.04497	0.4
92.34308	0.2
93.03468	0.3
95.05035	0.3
97.06610	0.9
98.19842	0.4
99.08171	6.3
101.06096	1.5
105.03499	0.2
107.05029	0.5
109.03000	0.3
109.06596	0.3
111.04546	0.5
120.81821	0.2
121.02986	0.4
121.06620	0.6
121.10250	0.3
123.04550	1.0
123.08191	1.7
125.06109	10.7
125.09746	11.7
125.71493	0.2
126.06477	0.4
126.10085	0.5
133.10292	0.3
135.04550	0.4
135.08199	0.5
137.02441	0.3
137.06104	0.2
137.09753	0.8
138.03310	0.3
139.04013	0.3
139.07634	0.2
139.11308	0.3
147.08150	0.3
149.02446	0.7
149.09755	0.4
151.04016	1.6
151.11293	0.3
152.04704	0.3
153.09215	0.7
153.12906	0.2
157.97339	0.2
162.10545	0.3
163.04021	0.3
163.11316	1.9
165.05591	1.3
166.02789	0.3
167.03506	0.4
175.11241	0.3
177.09241	0.9
177.12877	0.9
179.03542	0.4
179.10823	1.0
179.14500	0.2
180.04321	0.4
181.12379	0.7
185.13423	0.2
187.11346	0.2
189.09175	0.2
191.03448	0.2
191.10800	1.0
193.05081	3.4
193.08708	0.5
193.12283	0.5
194.05907	1.0
200.66548	0.2
201.12863	0.4
203.14406	1.4
204.11397	0.2
205.05206	0.2
205.12436	1.0
205.16006	2.1
207.06642	0.5
207.08614	0.2
207.10262	1.3
207.13857	1.2
209.08208	2.7
217.08733	0.2
217.12257	0.6
217.15970	0.7
219.06679	0.8
219.13951	0.2
221.08195	0.6
222.08980	0.5
223.09755	0.3
231.10248	0.3
231.14037	0.6
233.08170	0.7
234.08955	0.3
235.09766	3.3
236.10443	0.3
245.11913	0.2
247.09761	0.8
247.17007	0.6
249.11316	9.7
250.11667	0.9
251.09233	0.8
252.09813	0.3
261.14966	0.6
269.19110	0.6
271.16934	0.3
273.18652	0.7
275.12927	0.3
275.20190	1.3
277.10812	0.7
279.16043	2.2
280.16452	0.4
287.20303	0.5
289.21811	0.3
306.14822	0.9
313.21735	0.2
315.16107	0.3
319.15475	0.3
319.19095	0.2
331.15518	0.6
332.15927	0.2
333.17010	0.5
333.20578	0.4
339.23312	0.2
357.20651	0.3
357.24374	3.6
358.24615	0.5
359.22141	0.5
373.20258	0.6
375.17841	0.4
375.22058	0.3
383.22260	1.2
384.22446	0.2
385.20270	0.3
390.20490	0.5
397.27441	1.3
398.27658	0.2
401.23340	0.8
415.28558	1.9
441.26587	0.4
459.27527	100.0
460.27890	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	459.2754
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
55.01886	0.4
57.03451	1.9
59.01384	4.4
59.17876	0.4
61.98837	0.5
68.99810	0.8
71.01395	0.5
71.05029	1.4
71.15355	0.8
79.01898	3.6
79.42159	0.3
81.03458	0.6
83.05031	0.6
85.02969	0.7
87.04510	3.4
89.92623	0.5
95.01440	0.5
97.02995	0.4
99.08170	1.2
101.06111	1.2
103.92046	4.7
104.92806	0.5
106.94414	0.8
109.02982	0.9
109.06572	0.5
111.00894	0.4
111.04542	3.0
114.85766	0.4
116.92885	0.8
121.06615	0.8
123.08199	0.5
124.89107	0.4
125.02448	0.6
125.06099	16.5
125.09727	0.5
126.06459	0.8
127.07692	0.7
130.94406	1.6
135.08206	1.7
137.02524	0.5
137.06117	0.4
137.09756	0.9
138.03317	0.5
139.07660	0.5
148.95459	2.6
151.00359	0.4
151.04057	1.5
151.07666	0.9
152.04845	0.7
153.09242	1.6
163.04033	0.4
165.12813	0.5
177.02042	0.6
178.02728	0.4
179.03497	0.7
179.07166	0.8
180.04280	1.0
189.09306	0.5
191.03516	0.4
191.10817	1.0
193.05003	0.5
193.08742	0.6
194.86179	0.4
201.02580	0.5
202.92867	7.4
203.02469	0.5
205.05104	0.9
205.08823	0.6
205.12360	3.6
206.12794	0.5
207.06628	0.5
207.10286	0.7
209.08179	2.8
209.11862	1.2
212.06815	0.4
219.06630	6.4
219.10255	0.6
220.07201	1.0
221.04697	0.4
221.08128	2.3
221.15477	0.6
222.08986	0.7
223.09933	0.4
232.97867	0.5
233.08200	4.9
234.08975	3.6
235.09715	5.5
236.10428	1.0
245.08148	0.5
247.09756	6.4
248.10291	0.7
249.11366	1.7
253.10886	1.4
259.09775	1.2
261.11459	0.5
261.14880	0.8
263.09747	0.4
263.12979	0.5
266.07993	1.9
273.11496	0.5
275.13071	0.6
277.10831	14.8
277.21692	0.4
278.11212	1.1
279.16028	2.5
280.16266	0.4
289.14420	2.5
289.21652	0.8
305.13937	1.0
306.14801	1.4
307.15436	0.4
313.14496	0.9
317.14270	0.4
319.11871	0.5
331.15515	9.2
332.16122	1.1
333.13547	4.6
333.17114	2.1
333.20865	2.4
334.14200	1.9
334.17612	0.5
335.18802	0.6
344.61160	0.4
357.17035	0.7
361.16611	0.5
366.13330	1.0
371.18729	1.4
373.20032	2.3
375.18085	7.0
376.18622	1.3
381.31427	0.4
389.19858	0.7
390.20468	1.8
413.26984	0.4
415.29242	0.6
441.26465	0.6
459.27640	100.0
460.27982	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	459.2756
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
51.43118	1.9
57.03468	2.4
57.64071	1.8
63.35823	1.8
69.73178	13.4
69.73733	2.0
71.05038	2.9
79.01898	3.1
99.08144	2.3
111.04522	3.0
112.73714	1.8
117.45557	2.0
121.06630	2.1
125.02489	2.9
125.06113	17.3
151.04128	2.4
159.56743	1.9
178.02602	2.1
180.04169	2.0
193.08783	2.0
209.08145	11.8
219.06683	5.5
221.08240	3.7
233.08217	5.7
234.09006	4.3
235.09729	9.5
247.09793	7.3
249.11362	5.2
250.11781	2.3
261.15131	2.9
277.10934	12.2
278.11139	2.6
279.16006	10.5
289.14398	3.7
306.14813	3.0
313.14572	2.6
331.15564	6.2
333.13428	6.1
333.17102	3.0
358.21426	1.8
373.19952	4.0
375.18109	9.1
390.20319	2.3
459.27621	100.0
460.28116	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	459.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.4
58.67698	1.2
69.75603	5.7
69.76003	2.7
71.05016	4.6
79.01897	4.2
87.04544	2.7
99.08199	3.9
101.06100	2.9
111.04565	3.3
114.46246	1.2
124.01701	1.6
125.02483	3.3
125.06100	16.4
125.09734	1.8
135.08240	2.0
137.02440	1.3
137.09666	1.4
139.07674	1.4
149.02504	1.5
149.09784	1.5
151.04041	3.4
153.09222	1.8
163.11371	1.6
176.37462	1.3
177.01939	1.4
180.04285	2.1
191.10822	1.7
193.08765	3.0
197.08211	2.3
209.08209	35.1
210.08612	4.0
219.06635	4.6
221.08255	8.2
233.08186	5.4
234.08777	2.0
235.09714	7.2
235.17194	1.7
236.10480	2.2
247.09732	5.3
253.10869	2.6
259.09848	1.9
261.14911	7.7
262.15393	2.5
277.10840	10.9
278.11182	2.0
279.16034	59.6
280.16263	5.8
289.14371	1.9
289.21768	4.9
305.14011	2.2
306.14877	3.6
331.15604	5.1
333.13623	4.3
333.17303	1.9
333.20566	5.9
334.14392	1.4
335.18631	11.9
336.19421	1.4
349.10086	1.1
352.89078	1.2
375.18271	4.9
390.20483	4.2
391.16644	1.3
415.28598	4.9
441.26385	2.3
459.27606	100.0
460.28073	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
66.81467	0.4
69.59466	2.7
69.59769	0.3
71.05024	1.0
71.05447	0.3
73.11892	0.3
88.19309	0.3
89.42321	0.3
99.08129	0.5
99.14615	0.3
101.06063	0.8
107.05030	0.5
111.04527	1.4
123.04528	1.1
125.06113	5.1
137.77443	0.3
138.03226	0.9
151.04030	10.1
152.04630	1.1
161.06100	0.3
163.03958	0.5
165.05595	0.6
165.09230	0.6
165.12883	0.4
177.01936	1.2
177.09248	0.4
179.03484	1.3
180.04309	2.5
193.05046	0.3
193.08734	0.9
193.12282	1.0
203.07133	0.6
205.05087	1.5
205.08624	0.4
207.06534	1.1
208.07359	1.1
209.08179	1.4
210.08514	0.4
219.06636	7.0
220.06969	0.7
221.08206	22.8
222.08922	11.1
223.09338	0.9
233.08202	13.6
234.08737	2.1
235.09721	2.0
235.16924	0.6
237.07735	1.1
238.08475	0.5
245.08197	1.0
247.09789	2.1
251.09242	19.9
252.09760	2.9
261.14856	0.6
265.10703	0.6
279.16043	2.0
289.14304	0.6
290.15231	1.7
291.15829	0.7
306.14639	0.6
315.23383	0.4
343.15555	1.6
357.17084	4.0
358.17374	0.7
359.18237	0.6
359.22287	5.9
360.22702	0.8
371.18683	0.9
372.19266	0.5
373.20410	0.5
385.27460	0.4
390.20361	0.8
397.27542	0.5
429.26447	5.5
430.26813	1.2
441.26404	6.3
442.26550	1.7
459.27509	100.0
460.27869	20.0
478.55664	0.4
480.31107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2753
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
55.01874	0.9
57.03436	2.5
69.60378	4.5
71.05029	6.1
79.01948	0.7
83.05054	0.8
87.04541	0.8
95.05012	0.9
99.08164	4.0
101.06094	2.7
109.02959	2.2
121.06591	1.2
123.04507	1.1
125.02481	5.0
125.06104	6.4
127.07657	0.9
136.05351	0.9
137.02483	2.7
137.09738	4.5
139.07623	0.8
139.11311	1.7
141.09233	0.7
149.06075	0.7
149.09798	0.8
151.11334	1.4
153.09367	0.9
155.07164	2.5
163.04070	1.9
165.09326	0.8
176.08377	0.6
177.05659	1.4
177.09193	0.7
177.12941	0.7
178.09981	1.4
179.10770	3.9
180.04276	0.7
191.07129	2.4
191.10886	0.8
192.07880	1.4
193.08701	10.2
194.09399	2.1
195.06610	0.8
195.10233	1.0
195.13914	1.0
197.11833	4.3
203.10892	1.0
206.09470	1.5
207.10368	1.1
209.08205	75.6
210.08560	5.5
217.08746	0.8
217.15927	0.8
219.10281	1.2
219.17503	1.0
221.08069	1.2
223.13499	0.6
231.10223	0.7
233.08189	4.1
233.15433	2.1
235.06061	1.3
235.09781	1.4
235.17024	8.5
247.09822	6.2
249.11339	1.1
253.10788	3.4
261.14951	16.9
262.15491	2.1
263.16470	1.4
275.20169	1.6
275.75217	0.7
279.16022	72.6
280.16342	7.2
282.31992	0.6
287.12949	1.0
288.13623	1.1
288.17087	0.9
289.21841	1.9
291.12427	3.3
296.11951	0.8
333.20819	5.6
335.18582	1.0
343.15436	1.8
357.16812	0.6
357.20773	2.7
390.20685	0.6
413.26941	1.1
415.28522	1.0
441.26572	6.4
442.27097	1.0
459.27554	100.0
460.27869	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	459.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64989	0.4
56.16527	0.5
57.03438	1.0
71.05034	3.9
79.01929	0.5
84.74552	0.5
92.07481	0.4
99.08163	1.0
100.14205	0.5
101.06141	0.5
107.05035	1.3
109.02956	0.9
110.76392	0.5
111.04537	0.9
119.08667	0.5
122.03738	0.5
123.04546	4.1
125.02470	1.7
125.06094	7.4
137.02457	0.7
137.06152	0.5
137.09731	1.3
138.07594	0.6
139.11314	0.7
150.03336	0.7
151.04037	14.2
152.04420	0.6
163.04030	0.5
166.02887	0.5
173.23929	0.5
177.02010	2.3
178.02760	0.7
179.10776	0.7
180.04279	1.2
189.09253	0.5
191.10780	1.8
193.08722	2.0
197.11862	0.8
207.10313	3.0
208.10529	0.5
209.08218	11.3
210.08588	0.7
217.08708	6.2
218.08994	0.8
219.06686	0.6
221.08226	2.4
222.09064	0.8
233.08173	0.7
235.09767	100.0
236.10124	9.9
236.17094	0.4
249.11299	1.4
261.15005	3.0
279.16034	13.4
280.16360	1.4
289.21786	1.9
333.20767	3.4
334.20956	0.5
441.26407	1.6
459.27527	89.6
460.27869	16.8
461.29935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25155	1.3
51.43588	1.2
57.03447	1.6
60.20708	1.3
66.40295	1.6
69.60726	9.9
71.05037	1.5
79.01923	2.1
87.04513	1.8
99.08115	1.4
101.06010	1.8
102.45280	1.2
111.04527	2.1
123.04549	1.7
125.06103	13.2
125.09720	1.3
151.04008	1.9
180.04247	1.3
209.08189	5.4
219.06635	4.4
221.08102	3.2
233.08185	4.4
234.08920	2.3
235.09726	5.6
247.09760	5.7
249.11366	2.7
261.14877	2.0
266.07993	1.6
277.10794	13.7
279.15997	4.7
289.14548	1.4
301.14557	2.8
305.14139	1.3
331.15558	4.9
333.13422	3.1
333.20517	2.1
334.14301	2.8
359.18646	1.4
372.22705	1.5
373.20419	2.1
375.18063	7.0
390.20361	2.4
441.26184	1.6
459.18573	7.4
459.27551	100.0
460.27911	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	459.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03217	0.4
57.03451	4.1
64.27402	0.3
69.03448	0.8
69.66967	2.1
71.01382	0.8
71.04722	0.3
71.05029	2.7
81.07104	0.2
83.05058	0.5
85.31404	0.2
85.64242	0.2
90.89008	0.3
95.05027	1.5
96.02180	0.4
97.03004	0.4
99.08170	8.7
100.08469	0.6
101.06097	2.4
107.05004	0.3
109.06616	1.8
111.08173	1.1
121.06579	0.4
121.10226	0.3
122.03764	0.5
123.04559	0.6
123.08186	0.6
124.05322	8.3
125.02454	0.9
125.06116	14.2
125.09746	13.8
126.06421	0.7
126.10078	0.5
135.08115	0.5
137.06122	2.9
137.09727	0.8
139.07678	13.1
140.08031	0.6
145.06807	0.3
149.09758	0.5
151.03993	0.6
151.11319	1.4
152.11697	0.3
153.09230	1.5
162.10442	0.6
163.11299	0.3
165.12723	0.3
180.04266	0.5
191.07185	0.3
193.08624	0.6
193.12346	1.0
197.11813	1.1
205.15999	2.9
207.06746	0.3
209.08186	4.3
210.08653	0.3
217.15947	0.8
221.08214	0.6
221.15590	0.6
235.09779	3.0
235.13359	0.4
235.16995	0.7
236.10446	0.9
247.09752	0.4
261.14944	0.3
265.14359	0.8
275.20108	0.7
279.15912	1.3
288.17361	0.3
319.19058	0.4
333.20758	1.1
373.20242	0.9
375.21759	1.6
415.28839	0.3
441.26462	0.8
459.27518	100.0
460.27893	20.3
474.41663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01880	0.2
57.03445	0.3
59.01381	100.0
60.01719	1.3
61.98831	4.5
63.33101	0.2
68.00217	0.2
69.93601	0.4
69.94018	0.9
71.01387	4.4
73.02956	0.9
83.01416	0.7
85.02954	1.6
87.00882	0.2
89.02452	1.4
95.01448	0.3
99.00907	0.6
101.02457	2.8
101.54324	0.2
113.02480	1.3
119.03545	0.9
143.03592	0.5
153.66013	0.2
159.03127	0.2
161.04572	2.7
163.99963	0.2
165.12823	0.2
166.78394	0.2
179.05630	0.4
183.14743	0.2
187.00909	0.2
191.05606	0.3
219.04469	0.2
237.18854	0.3
369.00363	0.3
399.23868	6.4
400.24155	1.2
417.25348	0.2
443.22931	1.4
444.23642	0.2
456.13882	0.2
459.26208	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53491	0.3
57.03427	0.3
59.01381	100.0
60.01716	1.1
61.40063	0.2
61.98831	2.6
69.57021	1.9
71.01391	5.6
72.99319	0.5
73.02948	1.8
75.00881	0.8
79.55019	0.2
83.01437	0.7
85.02957	1.9
87.00908	0.5
89.02457	1.4
95.01395	0.5
98.20592	0.4
99.00905	0.8
101.02448	3.3
102.67663	0.2
113.02463	2.3
119.03548	0.7
125.02482	0.5
125.06129	0.7
133.24944	0.2
143.03568	0.3
159.03052	0.6
161.04578	4.6
165.09320	0.9
179.05634	0.3
191.96185	0.2
209.08194	5.0
209.10040	0.4
277.11145	0.3
298.16840	0.5
371.13681	0.6
399.23901	8.2
400.24390	0.9
439.04666	0.3
443.22968	0.3
459.27921	3.2
459.57364	0.3
460.27783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51566	0.2
52.74786	0.2
53.29221	0.2
55.01865	0.4
57.03454	0.6
58.00592	0.5
59.01381	100.0
60.01719	1.5
61.98835	7.2
63.71960	0.3
66.84341	0.2
69.03462	0.9
70.50179	0.2
71.01387	12.2
71.71541	0.4
72.99323	0.9
73.02945	1.9
75.00879	3.8
81.03493	0.8
83.01403	1.2
85.02958	2.5
87.00914	0.3
88.98820	0.3
89.02456	11.8
95.01434	0.6
97.02979	1.2
99.00906	2.2
100.71313	0.2
101.02457	3.8
107.01415	0.2
109.02984	0.4
111.00942	0.4
113.02452	2.4
114.02812	0.2
115.04069	0.7
116.92940	0.3
119.03583	0.9
121.03058	0.7
121.10322	0.6
123.08233	0.9
125.02466	5.1
131.03519	1.5
141.05730	0.2
143.03593	0.6
149.04623	1.5
159.03053	0.4
161.04590	3.2
165.09227	11.3
166.09673	0.8
182.35197	0.2
191.05621	1.3
198.03371	0.2
233.06682	4.0
234.07231	0.3
273.59430	0.2
293.08771	6.0
294.09451	0.4
399.23987	3.0
400.24472	0.4
440.39706	0.3
456.15616	0.3
459.23193	10.1
460.23709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03455	0.4
59.01381	100.0
60.01715	1.3
61.98832	7.9
69.03431	0.2
71.01386	6.5
71.29816	0.3
71.30170	0.2
72.99328	0.3
73.02947	1.7
73.03287	0.2
81.31465	0.2
82.42937	0.2
83.01424	0.6
85.02971	2.7
87.00885	0.4
89.02456	3.3
95.01431	0.4
97.02970	0.3
99.00883	1.1
101.02458	4.3
101.03077	0.3
111.04546	0.2
113.02467	2.9
116.92864	0.2
119.03545	0.7
121.10290	0.7
124.93555	0.2
125.02448	0.8
125.06116	0.5
131.03537	0.4
143.03551	0.6
149.04594	1.1
151.00383	0.2
152.32510	0.2
159.03026	0.6
161.04573	4.5
162.05063	0.2
165.09256	0.6
179.05737	0.4
191.05632	0.7
233.06502	0.3
277.10989	0.2
293.08743	0.4
297.17068	0.2
331.15521	0.2
333.13696	0.2
375.18295	0.3
399.23962	6.9
400.24384	1.1
400.49191	0.2
423.22409	0.4
459.13724	0.2
459.20364	0.4
459.27557	2.9
460.27573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11478	0.6
52.13382	0.6
57.03357	6.5
57.03664	1.4
57.89222	0.6
59.01284	2.2
59.01569	1.1
64.73926	0.6
66.42966	0.5
69.03378	0.9
69.75581	3.0
69.75996	1.3
71.04914	2.3
73.02872	0.5
73.72957	0.5
79.01826	0.7
79.05450	1.1
79.91920	0.5
81.03397	0.8
83.04945	0.7
85.02841	1.6
87.04427	2.3
87.04899	0.7
93.06995	3.1
95.04968	1.1
97.02944	4.0
97.06482	3.2
98.19901	1.1
99.04353	0.7
99.08154	4.1
101.05984	2.6
107.04945	1.0
109.02910	0.7
109.06541	1.1
111.04414	0.9
111.08035	1.9
113.06056	0.8
121.06521	2.1
121.10136	2.7
122.03662	0.7
123.04501	1.0
123.08047	1.9
125.02357	1.4
125.06119	5.4
127.07593	0.6
133.06508	1.2
135.08073	1.9
137.09679	1.4
139.07683	7.6
139.11209	0.9
141.09154	1.2
143.08551	0.7
145.10162	1.5
147.07991	1.2
147.11772	1.2
149.02368	0.8
149.05992	1.2
149.09625	2.4
150.03197	0.9
151.04015	3.8
151.07664	2.8
152.04694	1.1
153.09088	0.9
158.91115	0.6
161.09703	0.7
162.17404	0.6
163.11273	7.8
165.12732	1.8
167.03461	1.3
167.10675	2.0
168.04327	0.8
173.09695	4.6
175.35301	0.6
176.08374	0.8
179.03413	0.6
179.10693	1.8
180.04266	0.7
189.09122	0.7
191.10788	27.8
192.11075	1.8
193.08659	0.8
193.12181	0.7
195.06557	0.7
195.10217	1.4
203.10669	0.8
205.12289	1.4
207.10167	0.7
207.13898	0.9
209.08272	8.4
209.11829	28.4
210.12128	1.4
219.06598	1.3
221.11807	2.4
227.12837	0.8
233.08148	1.7
234.08995	0.9
235.09732	2.5
235.16949	0.6
247.09682	1.5
249.11230	1.4
251.09181	4.4
252.09924	1.3
253.10805	100.0
254.11127	5.7
258.42099	0.6
261.14987	1.3
266.08069	1.1
275.12866	0.8
277.10782	3.1
279.15955	7.9
289.21777	1.2
291.19684	1.1
306.14719	3.4
307.15497	6.7
317.13885	1.1
319.11774	0.8
331.15594	1.1
333.13614	1.1
333.20840	2.9
334.14359	0.8
335.15076	1.6
335.18771	3.2
361.20139	8.8
361.23917	0.8
362.20612	1.4
371.18860	1.0
373.20432	0.7
375.18073	1.1
375.22318	1.1
389.19647	7.6
390.20593	2.2
431.24902	0.8
459.27969	43.8
460.28391	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	459.2391
Annotation	Preaustinoid A1
Peak:m/z	Relative Intensity
53.44896	0.3
57.03453	2.3
59.01368	1.9
61.98798	1.0
64.97785	0.3
68.99814	0.6
70.58714	0.6
70.59119	0.6
79.01465	0.5
79.01897	6.5
83.05026	0.5
85.02950	0.4
85.06580	1.6
87.04511	1.4
93.07053	0.5
95.04988	0.8
97.69433	0.3
99.08172	0.4
107.05022	0.7
108.96552	0.3
109.02934	0.8
109.06575	1.0
111.04530	8.9
111.08067	0.4
112.04790	0.3
121.02856	0.4
121.06602	0.4
123.04521	0.7
123.08142	0.9
125.06110	6.7
127.07619	0.4
135.04443	0.5
135.08113	0.9
136.05315	0.6
137.06030	1.0
137.09645	0.9
138.03157	0.4
139.04070	0.3
149.02457	0.7
149.05927	0.4
150.03214	0.5
151.00374	0.6
151.03943	0.9
153.05560	0.5
165.05563	0.4
166.06323	0.4
167.03395	0.3
167.07069	0.4
167.10719	0.3
177.01851	1.0
177.05487	0.4
177.09154	1.3
177.12744	0.5
178.02591	0.6
179.03439	0.5
179.07047	1.5
179.10753	0.4
180.04317	0.4
191.03418	0.4
191.07018	0.7
191.10693	1.1
192.08000	1.9
193.04959	0.6
193.08644	0.8
194.05708	0.4
194.09175	0.4
195.06705	0.7
198.05247	1.4
205.05077	2.8
205.08556	0.8
205.12299	1.0
206.05692	0.7
206.09377	0.5
207.06534	0.8
207.10194	0.6
209.08049	1.4
209.11856	0.4
217.08647	0.4
219.06645	11.5
219.09894	0.4
220.07396	6.7
221.08145	3.9
222.08920	1.7
223.09554	0.4
231.10272	0.4
233.04468	0.5
233.08205	9.5
234.08662	1.5
235.09746	1.9
236.10010	0.5
245.08058	1.1
247.09579	1.5
249.11296	3.6
252.06342	3.5
253.10611	0.4
255.36371	0.3
259.09641	0.8
261.11063	0.9
261.14944	0.5
263.09238	14.8
264.09482	1.4
265.14542	0.4
275.09088	0.5
277.10645	3.0
277.14362	1.2
279.12445	0.5
279.15814	1.7
289.14496	3.4
290.14536	0.5
295.30713	0.3
299.12738	1.6
301.10834	0.4
301.14316	0.3
301.64154	0.3
305.13708	1.3
306.14551	0.8
307.15344	0.3
317.13989	12.8
317.17450	0.7
318.14230	2.0
319.15265	1.4
319.18781	0.4
331.15332	1.4
331.18927	0.5
332.16132	0.8
333.09827	0.4
333.13440	5.6
333.16885	0.6
333.20325	0.5
334.13937	1.7
341.17255	0.4
343.15408	0.6
347.18625	1.6
348.19308	0.4
359.15036	0.3
359.18613	3.4
361.16519	3.1
366.13113	0.6
371.09448	0.8
371.22324	2.0
375.17990	1.9
376.19144	1.8
390.20309	0.5
408.17603	0.4
415.32324	1.8
459.23514	100.0
460.23807	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.0
57.03452	15.2
59.01375	1.3
61.98834	1.4
67.40288	0.9
70.14572	2.0
70.14979	2.6
71.05022	3.0
81.03470	1.7
83.05029	12.9
85.02960	16.0
85.06610	1.5
87.04521	75.8
88.04903	1.7
93.03467	4.2
95.05054	3.2
97.02962	1.6
97.06564	1.6
99.08158	4.4
101.06101	1.5
107.05083	1.3
109.02966	4.9
109.06604	2.1
111.04531	22.4
111.08203	2.2
119.08670	1.1
120.05791	4.8
121.06604	3.3
122.03671	0.9
123.04522	4.0
123.08182	5.1
125.02423	0.9
125.06089	6.4
125.09726	2.5
127.04029	1.1
127.07641	1.3
133.06613	2.2
134.07430	1.0
135.08179	56.2
136.08485	2.5
137.06084	1.3
137.09741	1.8
138.03259	4.5
139.07669	3.0
141.09244	0.9
149.06087	1.6
151.04018	1.6
151.07658	7.1
151.11308	3.5
151.61594	1.0
153.05634	0.8
153.09235	26.8
154.09605	1.4
155.07143	0.8
161.09689	1.2
162.06845	2.8
163.03951	1.0
163.11316	1.1
165.05627	0.9
165.12854	10.4
177.01945	9.2
178.02634	1.0
179.07175	1.2
179.14384	3.6
180.07921	1.5
181.12346	5.3
187.11305	1.6
189.09175	1.7
190.09973	1.7
191.03690	1.2
191.10783	4.9
193.12361	4.0
194.05893	1.0
195.06616	4.6
195.13892	3.1
203.07156	0.9
205.12337	100.0
206.12680	6.4
207.06657	1.5
207.10292	2.0
208.07262	0.9
209.08342	1.9
209.11853	21.0
210.12195	1.4
219.06561	6.2
221.08199	3.1
221.15424	6.0
223.13408	19.4
224.13702	1.9
227.12943	1.1
233.08191	11.7
234.08864	3.1
235.09741	6.3
247.09692	6.6
249.11253	2.2
253.10800	47.3
254.11171	2.8
257.15530	1.4
266.07877	8.8
277.10794	2.9
277.14340	1.7
279.16122	2.9
285.91263	0.8
289.14517	1.0
291.16129	1.1
315.12427	1.3
327.19656	7.8
331.15524	12.7
332.15967	1.8
333.17099	1.0
334.14362	1.5
345.20660	2.4
347.15012	2.0
371.18625	34.6
371.25845	1.4
372.18930	3.7
375.18066	3.3
375.22220	1.2
389.19620	5.1
390.20377	2.1
403.21176	2.9
415.24927	3.8
416.25275	1.2
459.23132	9.6
459.28433	66.5
460.28732	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	459.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03180	0.5
57.03447	5.3
59.01377	1.1
64.66171	0.5
71.05024	0.7
71.71740	1.1
79.01907	6.1
83.03326	0.5
83.05047	1.8
87.04528	6.7
95.05050	0.6
107.05059	1.0
109.02953	1.3
109.06585	1.9
111.04531	11.6
121.06651	3.3
123.04510	1.1
123.08152	2.5
125.06090	3.4
135.08195	3.9
137.02431	0.8
137.06064	1.7
137.09717	0.7
138.03246	1.9
139.04037	1.2
141.09210	0.6
147.04520	2.5
149.06073	0.5
151.00479	0.5
151.03996	1.2
151.07645	0.6
153.09245	1.3
155.81741	0.6
157.92639	0.5
159.08162	2.8
163.07639	0.7
165.01955	1.5
165.05605	0.7
165.09229	1.5
166.02730	4.3
166.06374	1.6
167.03326	0.6
167.07158	1.5
175.07661	0.7
177.02026	0.8
177.09142	0.7
178.02742	0.7
179.07153	1.5
180.04349	0.8
180.07814	0.6
181.12323	0.8
187.07640	1.1
188.04796	1.3
189.05585	1.2
191.10797	0.8
192.07881	1.0
193.05078	1.7
194.05724	1.4
198.05318	1.8
199.07712	0.7
201.09190	1.2
202.06319	1.0
203.07181	4.9
205.05070	1.6
205.12347	1.3
207.06625	8.5
208.07411	33.8
209.07970	3.5
209.11807	1.6
213.63071	0.6
215.10759	0.6
217.08788	0.7
219.06660	6.6
220.07436	3.2
221.04659	0.6
221.08139	2.4
222.08755	0.7
233.08186	7.4
233.15485	1.1
234.08748	0.6
235.09663	0.8
243.13960	0.8
245.08109	3.3
247.09775	0.7
248.06941	0.9
249.11325	0.9
252.06285	1.5
253.10738	1.6
257.11786	1.5
259.06027	0.9
259.09766	2.0
261.07709	1.1
261.11377	1.0
263.09235	16.3
264.09573	1.6
269.11841	2.0
271.13358	4.0
273.11374	1.3
277.10901	1.0
277.14417	3.5
279.15945	0.9
287.12897	3.3
289.14542	2.6
297.11377	0.7
299.12732	0.9
301.10773	7.0
301.14166	1.1
302.11722	3.1
305.13959	0.9
314.11597	0.6
315.12387	53.2
316.09445	0.8
316.12735	6.9
317.13974	6.4
318.14178	0.7
319.15594	0.7
327.19559	0.8
329.13687	0.9
332.16290	1.0
333.13425	4.4
334.13980	0.8
347.18689	2.7
359.18649	1.5
361.16455	2.9
362.16992	0.8
371.18909	2.8
372.15784	32.5
373.16177	3.6
375.17780	0.9
376.03064	0.6
376.19016	2.7
389.19678	1.5
441.22824	100.0
442.23184	19.2
442.28018	0.4
459.23654	97.3
460.24026	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	459.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19315	0.3
52.54428	0.2
55.01877	0.3
57.03444	2.2
59.01375	0.4
61.98815	0.5
69.95606	0.8
69.96022	0.8
71.05020	0.6
79.01867	0.8
79.94980	0.2
83.05019	0.5
85.06611	0.3
85.50945	0.2
87.04506	1.1
98.20510	0.5
101.06094	0.5
107.04980	0.6
109.02950	0.8
109.06562	0.4
111.04533	4.4
121.02961	0.3
121.06625	1.4
123.04484	1.1
123.08176	1.9
125.02480	0.3
125.06067	1.1
127.07654	0.3
135.08162	0.6
137.02472	0.5
137.09688	0.5
138.03188	1.0
139.04051	0.6
147.04469	1.2
151.00356	0.6
151.04008	0.9
159.08148	1.6
162.80374	0.2
163.07631	0.4
165.01889	0.7
165.05545	0.8
165.09183	0.6
166.02740	2.5
166.06279	0.9
167.03236	0.3
167.07150	1.3
172.05286	0.3
175.04050	0.3
177.01923	0.5
177.09123	0.8
179.07149	0.7
180.29897	0.3
181.04909	0.3
181.98640	0.2
188.04794	0.8
189.05557	0.7
191.03485	0.6
191.07141	0.6
191.10718	0.8
193.05090	1.2
194.05820	0.4
195.06693	0.3
198.05301	0.4
199.07469	0.3
201.09250	0.6
202.06299	0.4
203.07150	2.4
206.09503	0.4
207.06621	5.9
207.10245	0.8
208.07405	18.1
209.07982	2.6
209.11761	0.7
209.15433	0.5
217.08635	0.8
217.12012	0.4
219.06633	4.0
219.10014	0.4
221.08183	6.6
222.08690	0.7
223.13297	0.3
231.06577	0.8
233.08145	2.5
233.11800	0.5
233.15425	0.8
234.08955	4.0
235.09753	7.3
236.10440	1.6
243.06328	0.3
244.07390	0.3
245.08345	1.3
246.05240	0.6
247.09712	0.5
248.06918	1.9
249.07578	0.4
253.10860	2.1
255.10320	0.3
257.11728	0.8
259.06009	0.6
259.09659	0.9
261.07660	2.8
261.10611	0.4
262.08420	4.2
263.09207	3.2
269.11826	0.8
271.13403	1.8
272.13434	0.3
273.08047	0.3
273.11218	1.2
277.10724	5.6
277.14243	1.6
278.11072	0.7
279.16003	0.4
286.08395	0.3
287.09360	0.6
287.12817	1.2
288.13043	0.4
289.14349	0.5
291.12164	0.3
297.11169	0.3
301.10852	4.2
302.11530	3.1
303.12033	0.5
305.13831	0.3
306.14633	0.4
313.14706	0.3
315.12372	28.9
316.12738	3.7
317.13916	0.5
319.11859	0.6
320.12646	0.6
331.15482	0.6
333.13437	3.0
333.20544	0.4
334.13644	0.5
347.14832	1.5
347.18356	0.6
354.15344	0.3
357.13086	0.5
371.18637	0.4
372.15753	18.2
373.16159	3.2
375.21860	0.4
377.19885	0.5
390.16797	8.5
391.17154	1.2
441.22830	2.8
442.23273	0.4
459.23682	100.0
460.24039	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	459.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	24.8
59.01382	0.9
66.14393	0.6
69.03455	1.6
69.52224	1.2
69.52637	4.8
71.05022	2.6
79.97012	0.5
83.05030	0.8
85.02956	16.9
87.04523	6.7
94.04243	0.7
95.05048	0.9
97.02987	1.8
97.06568	1.1
99.04549	0.7
99.08181	3.1
101.06090	1.1
111.00863	1.1
111.04536	0.9
111.08168	5.1
113.93108	0.6
120.80222	0.6
121.06609	1.5
123.08188	4.8
125.02473	1.8
125.06116	0.7
126.03253	3.0
127.04017	2.8
127.07648	0.8
133.06621	1.2
135.08176	9.7
138.06871	0.9
139.03951	1.0
139.07657	5.6
141.09309	1.3
147.11823	1.0
149.09718	1.0
151.07684	1.5
151.11339	1.2
153.05605	0.7
153.09233	6.0
161.09688	0.9
163.11311	1.9
165.05640	1.0
165.12865	16.2
166.13225	1.0
167.03418	1.3
167.07155	0.7
167.10770	0.9
167.14418	1.4
173.09705	1.4
179.07207	1.0
179.14445	2.4
180.07919	4.2
181.12363	13.8
182.12697	1.0
191.10799	8.4
192.11119	1.1
195.13919	8.7
197.11856	1.2
205.12360	3.3
207.10161	0.8
209.08244	4.6
209.11833	45.2
210.12170	3.5
219.17589	0.9
221.04602	0.9
223.13394	15.1
224.13678	0.7
233.08224	0.8
235.17033	1.3
253.10808	100.0
254.11128	7.2
262.15521	0.7
263.16498	1.0
277.14380	0.9
279.16019	1.8
289.14648	1.0
289.21860	2.9
291.15991	1.2
307.15482	1.0
317.13950	1.6
320.12656	7.0
321.13138	0.7
329.13870	0.9
335.15091	1.0
361.20102	1.3
371.18570	2.0
389.19778	7.2
390.20291	0.8
431.24438	0.8
459.23941	14.2
459.28497	3.8
460.24161	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	459.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85571	0.6
57.03445	19.1
58.04565	0.5
59.01370	2.5
68.22222	0.5
69.03464	1.4
69.83579	3.2
71.05027	1.7
76.68528	0.6
77.80699	0.6
83.05039	1.7
85.02964	7.7
87.04529	6.1
93.07132	2.9
95.05034	1.1
97.02953	3.3
97.06593	2.4
99.08156	1.6
109.06609	1.6
111.00847	0.8
111.04518	1.4
111.08173	4.4
112.08511	0.6
115.32924	0.5
121.06597	2.1
121.10255	2.2
123.04448	0.7
123.08174	2.8
125.02438	0.9
125.06112	1.4
126.03210	1.6
127.04027	1.3
127.07688	0.6
133.06624	1.0
135.04520	0.8
135.08189	5.6
139.07684	7.0
141.09207	1.5
141.41817	0.6
143.08708	0.6
145.10208	1.3
145.65805	0.5
147.08133	1.1
147.11839	1.6
149.06114	0.8
149.09732	1.6
151.03987	0.6
151.07660	2.8
151.11328	1.0
153.09242	3.9
161.09782	0.8
163.11316	7.3
165.12871	7.4
167.10796	1.1
167.14467	0.7
168.23125	0.6
168.36076	0.7
173.09738	3.0
177.01944	1.1
179.07176	1.4
179.10808	1.4
180.07970	3.0
181.12373	6.1
191.10794	22.0
192.11139	2.0
193.12346	0.9
195.10315	0.9
195.13910	2.8
205.12352	3.3
207.10320	1.1
209.11845	34.9
210.12262	2.4
218.50699	0.7
221.11880	1.6
223.13416	6.8
227.12778	1.2
233.08144	1.5
235.17043	0.8
249.11458	0.8
253.10808	100.0
254.11140	8.4
264.32315	0.6
291.16138	0.9
306.14865	0.9
307.15451	2.9
317.13950	1.4
335.15005	1.1
355.93588	0.6
361.20172	6.6
362.20547	0.8
371.18481	1.4
387.43878	0.7
389.19733	6.5
459.23956	10.3
460.23770	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.6
59.01382	6.8
61.98832	0.9
66.03580	0.4
67.46411	0.3
68.51704	0.3
68.99837	0.3
70.12475	1.9
71.01392	5.8
71.68941	0.3
73.02946	1.1
74.74097	0.3
77.20970	0.3
78.95927	0.6
83.01398	0.6
84.95210	0.3
85.02962	2.1
87.00890	0.6
87.04529	0.8
88.98818	1.4
89.02467	3.1
93.03452	0.4
95.01417	0.7
96.96040	2.2
96.96989	0.7
97.02968	0.4
99.00889	0.6
99.64569	0.3
101.02461	3.7
108.02213	0.5
109.02972	0.4
111.00882	0.9
111.04541	15.9
112.04906	0.6
112.13879	0.3
112.64588	0.3
113.02461	2.2
116.92902	0.7
117.92856	0.4
119.03503	1.0
122.03784	0.4
123.04552	7.0
123.05450	0.4
123.08197	0.7
124.01621	0.3
124.04863	0.3
125.02477	0.6
125.06102	1.5
129.07193	0.5
137.09772	1.7
139.04054	6.1
139.07698	0.8
146.95184	0.3
147.58731	0.3
151.00398	0.7
151.04070	0.6
153.01987	0.5
153.05602	12.0
154.05901	0.5
161.04568	1.1
163.04010	0.3
165.05623	2.8
166.06255	0.5
167.03493	0.4
167.07112	1.6
168.91335	0.3
179.07162	2.9
180.07915	0.5
181.08635	0.4
191.05695	0.9
192.07855	0.6
193.05058	1.0
193.08716	1.1
194.05827	1.2
195.06602	0.9
198.05362	0.8
205.12321	0.5
208.05540	0.7
208.07425	6.9
209.08206	58.2
210.08585	3.6
212.06905	3.8
217.12276	0.4
221.08243	0.9
233.08205	0.7
235.09700	0.6
240.06308	0.4
241.05095	0.4
247.09735	0.7
261.11267	2.3
277.10800	1.4
278.11292	0.4
279.12393	16.6
279.27817	0.4
280.12646	2.1
285.04221	0.5
297.10193	0.3
315.10782	2.3
331.15509	0.7
349.52756	0.4
357.11935	0.6
375.18106	0.7
459.18735	100.0
459.27603	6.7
460.19080	14.8
460.27798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40654	0.5
54.24030	0.4
55.01877	1.6
57.03445	1.8
58.00595	4.5
59.01379	85.4
60.01712	1.1
61.98839	4.4
69.03459	5.1
71.01386	71.1
72.01732	1.6
72.99313	3.3
73.02950	13.7
73.03336	0.8
75.00883	1.9
81.03468	2.0
81.07098	1.9
83.01413	4.2
83.05032	0.9
85.02958	7.2
87.00910	1.9
89.02452	100.0
90.02787	1.3
95.00853	0.6
95.01382	2.4
97.02965	8.7
99.00894	17.6
99.04533	1.3
101.02456	35.0
102.02765	0.6
107.29184	0.4
109.03001	0.5
111.00885	0.9
113.02470	9.9
114.02755	0.6
115.04022	4.6
119.03516	2.9
120.00223	0.4
121.10250	46.3
122.10579	2.5
125.02463	34.3
125.06092	0.9
126.02798	1.4
127.04024	0.8
131.02527	1.0
131.03522	21.4
143.03523	4.2
149.04573	40.1
149.09787	0.5
150.04971	0.6
161.04602	2.0
163.11319	0.7
165.09224	69.3
166.09528	3.9
179.10866	0.6
191.05621	14.0
199.04092	1.5
207.10295	4.7
209.08243	0.7
217.05281	0.6
233.06638	15.9
233.08865	0.8
237.11333	2.3
243.02968	3.0
259.02463	0.7
261.04034	2.4
275.07660	1.1
293.08786	26.1
294.09128	1.4
301.03827	0.6
357.06723	0.6
375.07156	1.0
399.24039	0.6
417.08368	2.4
417.25223	0.6
459.09161	1.6
459.27969	4.1
460.27765	0.7
463.13605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03440	1.3
57.80450	0.3
59.01131	0.4
59.01383	5.6
61.98825	0.8
67.17017	0.3
69.48085	0.3
69.57510	3.0
71.01392	5.3
72.99290	0.4
73.02949	1.1
81.55368	0.3
83.01386	0.7
83.28603	0.3
85.02955	2.0
87.00890	0.5
87.04520	0.4
88.98797	0.7
89.02464	2.4
95.01364	0.7
95.04996	0.4
96.96040	2.0
96.96956	1.0
97.02943	0.4
99.00898	0.7
101.02451	4.3
108.02169	0.5
109.02970	0.6
111.00881	0.6
111.04538	16.5
112.04816	0.4
113.02461	2.0
116.92870	1.1
119.03532	0.9
121.06562	0.4
123.04541	6.8
123.08178	0.6
124.01701	0.4
125.02506	0.8
137.09737	1.2
139.00400	0.9
139.04048	5.4
139.07669	1.1
141.05627	0.4
146.33305	0.3
147.04601	0.4
147.08153	0.4
151.00439	0.5
152.01152	0.4
153.01843	0.4
153.05598	12.0
161.04594	0.8
165.05606	3.9
166.06328	0.8
167.03488	0.6
167.07156	1.6
179.07130	1.8
191.05675	0.5
193.05052	0.9
193.08661	0.7
193.78018	0.3
194.05824	1.7
195.06580	0.6
198.05312	1.0
200.52493	0.3
208.07443	6.2
209.08202	58.5
210.08527	4.3
212.06914	3.4
213.07202	0.4
217.12361	0.3
221.08240	0.4
230.19160	0.3
241.04898	0.4
261.11276	1.8
268.29868	0.3
279.12369	16.2
280.12784	1.5
285.04044	0.5
297.09808	0.4
315.10846	2.1
339.96771	0.3
357.11874	1.0
459.18744	100.0
460.19073	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	459.1872
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
50.76233	0.1
52.80115	0.1
55.01883	0.1
55.82810	0.1
56.40738	0.1
57.03450	0.4
58.00594	0.6
58.19914	0.1
59.01380	17.9
59.98519	0.2
60.01714	0.3
61.98831	1.9
68.99831	0.1
69.03454	0.9
71.01387	18.5
71.71933	0.2
72.01723	0.4
72.99305	0.8
73.02953	1.3
75.00889	0.2
79.01917	0.2
81.03471	0.8
81.07119	0.5
83.01376	0.9
84.02184	0.1
85.02960	2.0
87.00887	0.5
89.02455	23.2
90.02798	0.3
95.01410	0.4
97.02962	1.6
97.22290	0.1
99.00912	0.7
101.02456	5.3
102.02805	0.1
104.03158	0.1
107.01382	0.1
111.00881	0.2
111.04529	0.1
113.02469	3.5
113.03245	0.2
116.92923	0.2
119.03531	0.9
119.08691	0.2
121.10246	3.4
122.10593	0.2
123.00918	0.2
125.02468	8.8
125.06102	0.4
126.02780	0.4
129.01959	0.2
131.03528	5.4
132.03833	0.1
139.03944	0.2
143.03522	1.1
147.08211	0.1
149.04582	6.5
150.04942	0.2
151.55440	0.1
161.04626	0.8
165.09225	100.0
166.09558	6.3
173.04544	0.2
178.99838	0.2
191.05626	1.8
207.10219	0.2
233.06586	1.3
237.11354	0.3
247.09755	0.1
255.95605	0.1
256.75839	0.1
261.18848	0.1
275.07800	0.1
277.10687	0.3
289.14462	0.1
293.08786	5.6
294.09134	0.4
331.15509	0.2
333.13541	0.2
375.18033	0.2
399.24005	0.2
459.12778	0.2
459.18570	0.4
459.27850	2.3
460.27838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01388	0.6
61.98842	0.5
63.81988	0.2
69.64659	1.9
71.01382	0.7
73.02954	38.5
74.03284	0.7
78.67222	0.3
78.95904	1.1
81.23753	0.2
81.69042	0.3
85.02944	0.3
89.02437	0.4
96.95984	0.3
99.00898	4.9
99.04533	0.9
99.92603	0.7
101.02476	0.4
113.02494	0.2
116.92881	12.3
117.01958	100.0
117.92895	0.9
118.02303	2.5
120.66845	0.2
151.00418	0.6
152.91675	0.2
152.92784	0.5
156.80626	0.3
161.04582	1.4
164.01817	0.7
179.03564	0.3
191.05644	2.7
194.93915	0.4
234.97018	0.3
243.02991	0.4
261.04004	1.1
296.96738	1.0
423.09155	0.7
459.18655	0.6
459.27408	0.7
469.15433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.8
59.01373	0.7
61.83264	0.2
65.14001	0.2
71.01395	0.3
71.27282	0.4
84.43484	0.2
93.03481	0.2
95.05025	0.4
99.04520	0.4
101.02457	1.5
121.02965	0.6
122.03779	0.5
123.04539	53.3
124.04873	2.4
125.02448	0.4
136.21306	0.2
151.04077	0.3
152.04855	0.3
153.05592	100.0
154.05919	4.9
195.06635	0.2
199.73799	0.2
206.99263	0.2
217.41217	0.2
297.09805	0.8
315.10846	20.4
316.11145	2.1
357.11905	6.0
357.15369	0.1
358.12173	0.5
397.14920	0.8
443.59836	0.2
459.14905	1.6
459.27725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.00589	1.0
59.01381	23.4
61.98834	100.0
62.98542	0.2
66.67233	0.2
69.03479	1.1
71.01389	14.9
72.99329	0.8
73.02955	3.1
75.00885	0.4
81.03452	0.5
83.01411	0.9
85.02956	2.0
87.00901	0.7
87.04524	0.2
88.98813	0.4
89.02458	23.2
95.01426	0.5
97.02964	2.4
99.00897	5.2
101.02456	8.1
109.02953	0.3
111.04565	0.8
113.02460	1.9
115.04041	0.8
116.92903	0.3
119.03526	0.9
121.10260	4.2
125.02465	7.7
125.06088	1.1
131.03514	3.4
141.21745	0.2
143.03531	0.8
149.04573	10.5
151.07648	0.3
153.05585	0.4
153.42207	0.2
161.04579	1.0
163.07758	0.3
165.09222	5.8
166.09595	0.3
177.00449	0.2
186.12527	0.2
191.05635	3.7
207.10286	1.0
209.08292	0.6
210.05391	0.3
210.08601	0.7
211.06096	0.4
221.06743	0.5
233.06573	3.3
234.08752	0.7
235.08934	0.3
237.11298	1.1
247.09975	0.4
275.07764	0.3
277.10849	0.5
293.08789	5.6
331.15723	0.5
333.17181	0.2
375.18475	0.3
399.24127	0.3
457.26108	0.5
458.26193	0.9
459.27869	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	458.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.00599	0.6
59.01380	15.6
60.01703	0.3
61.98834	100.0
67.85100	0.2
69.03465	0.7
71.01389	7.6
71.71688	0.2
72.99316	0.5
73.02953	1.6
75.00881	0.2
80.91718	0.2
81.03473	0.3
82.95417	0.2
83.01417	0.6
85.02980	1.2
87.00898	0.4
89.02459	12.5
90.47887	0.2
92.15983	0.2
93.03506	0.3
94.96238	0.2
95.01409	0.2
97.02976	0.9
99.00893	2.8
101.02461	4.2
101.03082	0.3
103.90893	0.2
111.04536	0.5
113.02462	1.2
115.04043	0.4
116.92890	0.2
119.03501	0.5
121.10269	2.3
125.02470	4.1
131.03534	1.9
143.03523	0.4
149.04581	5.5
153.05637	0.2
155.03442	0.2
161.04604	0.5
165.09241	3.5
178.76825	0.2
191.03830	0.3
191.05626	2.0
198.12868	0.2
207.10297	0.6
209.08250	0.4
210.08629	0.2
233.06493	1.5
234.08566	0.5
235.08824	0.4
236.09116	0.3
237.11377	0.5
275.07739	0.3
283.02551	0.3
289.03638	0.3
293.08789	3.3
293.11807	0.2
324.34332	0.2
459.00446	0.2
459.13318	0.4
459.27838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02987	1.8
59.01389	9.8
61.98830	24.1
71.01380	2.7
81.03480	4.0
86.32506	1.7
87.04515	1.8
89.02470	2.3
91.01907	9.5
92.02251	3.6
98.19862	5.7
101.02434	1.8
103.70309	1.6
111.04589	2.5
121.10264	4.5
122.03764	1.8
122.10577	2.1
123.08211	8.0
124.08526	3.7
125.06087	6.3
147.08185	3.0
148.08530	2.1
153.54759	1.7
163.64876	1.6
165.09241	97.8
166.09575	83.6
167.09758	2.5
191.07164	21.5
192.07491	23.2
193.08784	1.7
202.17047	1.7
209.08284	10.4
210.08549	12.7
217.05118	3.3
218.05821	6.2
219.06557	2.2
233.08154	2.1
243.03120	1.6
247.09741	17.5
248.10001	1.7
275.09241	30.5
276.09583	4.9
277.10846	1.6
301.03354	1.7
373.20193	2.1
395.13538	42.3
396.13794	4.3
413.14590	7.6
414.14880	100.0
415.15128	13.4
457.20731	3.6
458.21085	14.7
458.26730	3.5
459.21875	1.6
459.27670	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16839	0.4
57.80064	0.5
59.01379	2.8
61.98832	69.9
71.01382	1.2
71.77980	0.5
77.03968	0.5
81.03449	0.4
81.14806	0.4
84.47758	0.5
85.02962	0.5
89.02460	0.7
98.19805	0.7
98.95584	0.6
101.02462	0.9
105.03458	1.3
111.04438	0.4
113.02455	1.3
121.02975	0.6
123.04564	0.6
123.08200	0.9
125.02437	0.7
125.06114	0.7
137.02513	0.6
149.02463	3.7
151.07625	0.7
163.03993	1.5
165.09196	2.8
166.09557	2.2
167.03496	1.1
167.07149	0.5
168.03735	0.4
191.03439	0.6
191.07170	0.5
192.07448	0.5
193.08690	0.8
195.06650	2.1
205.05118	1.0
207.10184	0.5
209.04512	0.6
210.04893	0.8
217.05072	11.4
218.05846	23.3
219.06282	1.9
229.65144	0.6
232.07358	1.7
233.04442	1.0
233.08200	1.1
245.04544	0.5
245.08182	0.5
247.09743	54.7
248.10057	4.4
257.08121	3.0
273.07559	0.9
275.09235	93.2
276.09558	9.8
280.16418	0.6
287.09247	2.8
305.10217	2.4
319.11716	0.5
338.13116	1.0
395.13470	100.0
396.13834	15.0
414.14877	1.9
457.20914	1.1
458.21307	5.3
459.12836	0.7
459.27499	1.3
463.79971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2958
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
50.58947	0.4
58.56607	0.4
69.44138	1.8
69.44569	2.2
76.79838	0.3
85.79052	0.4
97.06553	0.5
121.06640	0.6
123.04499	1.0
132.59692	0.5
139.07643	3.7
151.02844	0.7
151.04019	9.8
152.04761	0.9
165.05548	1.3
166.02742	0.7
177.01949	2.1
179.03528	2.4
180.04318	5.7
181.04645	0.6
191.03627	0.5
193.05009	0.8
193.12312	0.5
193.38405	0.4
194.05818	1.6
207.06671	2.6
217.15305	0.4
219.06471	0.8
221.11790	0.8
231.10347	1.2
235.09747	1.3
236.10451	1.8
237.11177	0.6
247.09702	0.5
249.11311	73.7
250.11998	22.3
251.12448	1.7
261.11292	4.1
262.12079	0.5
263.12863	5.0
263.20071	0.7
275.12936	0.8
305.13522	0.4
315.16031	0.8
345.16943	1.9
371.22824	0.5
387.21680	0.8
388.22455	1.1
389.23584	0.6
413.30679	0.7
457.29596	100.0
458.29974	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	457.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.6
57.33035	0.3
58.00591	2.6
59.01381	33.5
60.01716	0.4
61.98832	3.4
68.99821	0.4
69.03467	0.7
71.01389	8.4
71.05021	1.4
71.71865	0.5
72.99316	3.6
80.02700	0.7
81.03465	0.6
83.05029	1.4
85.06593	0.6
89.02457	25.0
91.04020	100.0
92.04317	1.7
95.05043	0.8
97.06613	1.9
98.20907	0.3
99.08138	0.5
106.04253	0.6
109.06610	0.7
111.04565	0.4
111.08154	1.1
121.10233	0.4
123.08148	0.6
124.01692	0.4
125.06111	2.4
125.09729	0.6
127.07670	0.4
128.82729	0.3
135.08138	0.4
139.11304	1.3
141.09091	0.3
151.11316	0.5
153.12865	0.9
167.14487	0.6
177.16553	1.6
193.16002	1.0
202.10005	0.5
219.17551	0.7
237.07802	0.4
245.19040	0.7
247.20673	45.9
248.21042	5.3
265.21701	1.7
273.18597	11.1
274.18951	1.5
291.19659	75.4
292.20004	8.7
309.20718	50.8
310.21036	6.2
365.23352	30.1
366.23749	5.0
373.20264	0.4
383.24393	48.4
384.24765	7.3
441.24432	0.4
457.15225	0.6
457.26453	5.0
458.26630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70707	0.2
54.51138	0.2
57.03445	0.3
74.87460	0.2
79.01888	0.5
83.05036	1.1
99.08137	0.5
101.06083	0.4
107.05070	0.3
109.02903	0.3
109.06596	0.6
123.04525	1.6
125.06104	4.5
125.09679	0.6
137.02467	0.4
141.09262	0.3
149.02382	0.4
151.04041	6.2
152.04764	0.8
160.54633	0.3
163.03989	0.5
164.04800	0.4
165.01872	0.4
165.05647	0.4
166.02724	0.9
173.09692	0.3
177.01971	0.9
177.05548	0.3
179.03520	1.8
179.10823	0.4
180.04300	7.2
181.01492	0.6
181.04553	0.4
191.03506	0.5
191.07112	0.3
191.10854	0.8
203.10692	0.3
205.12260	0.5
207.06552	0.3
207.10262	1.7
208.07388	0.4
209.08202	3.0
210.13930	0.4
217.08737	2.5
219.06694	0.3
219.10202	0.6
220.07339	0.4
221.08199	6.0
222.08955	2.4
223.09727	0.8
233.08223	0.9
235.09761	70.0
236.10458	20.6
237.07779	0.3
237.10904	1.1
247.09746	3.8
248.10248	0.5
249.07616	1.7
249.11304	3.8
250.11624	0.4
261.11316	0.8
262.12033	0.5
263.12823	0.6
264.13535	0.3
275.47543	0.3
289.14542	0.5
301.14539	0.5
303.16095	0.4
317.13834	0.8
317.17361	0.5
331.11801	0.6
331.15546	0.4
331.19199	0.4
344.65958	0.3
355.22913	0.3
357.20721	0.5
359.18719	0.6
373.20178	1.0
374.20871	0.8
388.18970	0.8
413.26807	0.4
457.25961	100.0
458.26303	17.0
477.74896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04013	0.4
59.01380	4.6
61.98829	1.1
69.44057	4.9
71.01390	0.9
73.02930	0.6
78.80171	0.4
79.05521	0.7
81.03468	1.8
85.02999	0.6
86.11863	0.4
89.02447	0.8
91.01898	5.4
92.15556	0.4
98.19774	0.6
101.02452	1.0
109.02950	0.4
114.47176	0.4
121.03014	0.4
121.10249	5.1
122.03748	2.0
122.22161	0.5
123.04518	0.6
123.08176	7.8
137.02551	0.6
147.08182	4.3
155.07135	0.6
164.08415	0.5
165.09229	100.0
166.09563	5.7
172.68515	0.5
189.09315	0.5
191.07164	24.0
192.07533	1.3
193.08772	1.9
207.10310	1.1
209.08211	10.3
209.10036	0.9
210.08617	1.1
247.09923	1.0
251.09428	0.5
275.09314	1.3
279.15839	0.9
301.49011	0.5
340.87201	0.5
371.13547	1.1
395.13614	1.4
413.14560	63.1
414.14917	9.3
457.20786	10.1
457.26004	0.6
458.21130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2075
Annotation	Marioside
Peak:m/z	Relative Intensity
55.01870	0.5
58.00591	0.8
59.01086	0.7
59.01381	14.9
61.98846	0.7
65.85647	0.4
68.99805	0.4
69.62433	0.9
69.62846	2.6
71.01388	7.6
72.99303	1.2
73.02946	0.5
83.01385	0.7
83.05042	1.0
85.02956	1.9
87.00900	1.0
89.02451	5.7
95.01393	0.9
98.20618	0.6
99.00914	0.7
99.08149	0.8
101.02458	5.4
101.06089	1.4
109.02962	0.9
109.06615	1.2
111.04551	2.1
111.08146	0.7
113.02462	1.3
119.03532	1.9
123.04570	0.7
123.08189	0.6
123.87310	0.4
125.02476	2.2
125.06088	2.3
127.07658	3.6
134.48785	0.4
136.05264	0.4
137.02446	4.6
137.03403	0.6
137.06105	1.6
142.02687	0.4
147.08220	0.5
151.07512	0.6
151.11363	0.5
155.07146	10.3
165.09222	1.1
167.10764	1.0
175.07648	1.7
192.07825	0.6
193.08704	22.0
194.09300	2.1
195.10304	1.0
209.08202	0.5
233.15408	0.5
235.16917	0.9
242.07942	0.5
245.11798	0.5
254.16527	0.4
259.13440	0.8
261.14948	1.5
267.46310	0.4
277.14432	3.5
278.70404	0.4
279.15997	9.4
279.76016	0.5
280.16376	1.2
439.19724	1.5
457.20770	100.0
458.21075	13.1
458.27591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.4
58.16323	1.2
59.01367	3.1
60.13043	1.4
60.56120	1.2
61.98831	80.3
71.05006	1.6
71.72090	1.1
71.72478	2.1
83.05022	2.7
93.19541	1.2
101.06123	1.4
111.04554	1.7
125.06107	9.6
127.75214	1.5
131.72707	1.4
131.73744	1.1
135.08174	1.9
137.09749	9.9
155.10770	2.0
163.11334	4.1
207.06635	1.5
209.08221	4.2
209.11932	2.0
221.08214	2.2
222.08913	2.1
223.09311	1.6
223.29959	1.4
235.09674	2.5
287.16547	1.8
305.13861	1.9
309.16904	1.5
329.14008	1.7
330.14276	4.5
331.15189	1.4
331.19119	2.4
393.22845	100.0
394.23196	14.0
456.24631	20.4
456.34995	2.3
457.26221	33.5
462.12769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
61.98833	95.0
70.33414	0.8
75.83117	0.8
83.05038	0.8
86.60532	0.8
99.08178	1.3
125.06114	4.6
137.09750	4.5
154.53217	0.8
155.10800	2.8
163.11272	1.6
175.84489	0.8
206.68182	1.0
207.06744	1.0
214.05385	0.8
222.09004	1.5
226.18199	0.9
229.36449	1.3
233.11775	3.1
249.11209	1.1
271.17047	0.9
273.18585	2.2
275.12970	1.5
279.15469	0.8
289.14566	1.7
317.17575	22.5
318.17935	2.4
331.40109	0.9
375.21771	19.2
376.22183	4.2
377.19565	1.4
393.22833	100.0
394.18582	1.4
394.23209	15.4
396.34338	0.9
436.43723	0.9
456.35995	1.0
457.26584	5.6
472.71448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01374	1.9
61.98832	100.0
64.39298	0.2
71.01373	1.1
72.13640	0.1
82.94931	0.2
85.02988	0.5
87.00885	0.2
89.02454	1.4
95.01471	0.2
96.96051	0.3
99.04564	0.3
101.02472	0.7
111.04574	0.2
113.02468	0.3
119.03481	0.2
125.02457	0.3
125.06163	0.3
127.07703	0.3
148.02271	0.2
149.04578	0.2
151.04060	0.2
155.07190	0.5
161.04665	0.2
165.09264	0.7
175.07698	0.3
179.05670	0.2
191.05624	0.4
193.08698	1.3
210.12312	0.3
230.23547	0.3
277.14587	0.4
279.16107	0.8
301.03592	0.2
327.89230	0.2
396.18860	0.3
413.14435	0.5
456.18973	0.4
457.20859	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	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32623	0.1
52.10065	0.1
53.14560	0.1
59.01382	1.4
60.01710	0.3
61.01799	0.1
61.98833	100.0
62.98543	0.3
62.99308	0.1
69.71469	1.0
71.01382	0.4
79.01894	0.3
85.02984	0.2
89.02457	0.6
102.53236	0.1
119.03577	0.1
125.06083	0.3
132.03772	0.2
133.04051	0.2
151.00412	0.4
151.04008	0.6
152.00775	0.2
180.07971	0.2
191.05586	0.5
208.07426	0.4
209.07782	0.6
212.06949	0.4
213.07214	0.3
256.85114	0.2
277.14548	0.3
278.14792	0.2
295.90927	0.1
456.19583	4.5
457.20288	1.0
457.26007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01368	1.7
61.98833	100.0
69.47356	2.2
69.47779	1.0
83.05040	2.2
85.02950	0.4
87.04559	0.6
111.04542	1.7
113.02427	0.5
125.06131	1.4
134.44168	0.4
151.04076	0.4
152.86086	0.3
163.04062	1.3
165.05580	0.4
179.07217	0.7
183.06735	0.6
193.08737	0.6
195.06563	0.4
207.06610	0.3
209.08232	0.5
220.07526	0.6
221.08234	3.6
222.09058	0.4
223.06163	1.0
233.08170	3.4
233.11897	0.4
234.08658	0.7
235.09798	1.3
261.07434	0.5
262.08484	0.5
276.10028	0.4
277.10922	1.8
277.14169	0.4
277.96808	0.4
281.14008	0.4
285.11407	0.5
305.14120	0.4
305.39771	0.4
317.17657	0.8
343.34738	0.3
361.16629	1.6
375.18234	0.9
375.22125	0.5
377.19763	2.0
388.15271	0.6
393.18845	9.1
393.23093	2.1
394.19479	1.0
394.23761	0.4
408.54028	0.4
411.07034	0.4
439.21014	0.5
457.21664	1.9
457.26263	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	456.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.1
59.01378	0.3
61.13178	0.1
61.98834	100.0
65.00344	0.2
71.71432	0.2
78.95939	0.2
83.01430	0.2
96.96075	0.1
99.92623	0.2
107.01440	0.4
109.02975	0.2
111.04570	0.1
116.92886	1.4
119.05053	0.4
123.04629	0.1
125.02449	0.6
126.90414	0.2
131.05084	0.4
133.02994	0.2
134.76419	0.1
137.02554	0.1
143.05072	0.1
143.62773	0.1
145.03030	0.2
149.06123	0.3
151.00449	0.6
151.04062	0.5
155.05125	0.2
157.02982	0.2
163.04060	0.6
173.06047	0.3
174.03275	0.2
175.04010	1.2
177.02034	0.4
184.13988	0.1
191.05690	0.5
193.05139	0.4
199.03993	1.5
199.05458	0.1
201.02013	0.1
217.05064	0.8
243.02988	5.5
244.03444	0.5
244.97589	0.1
249.99438	0.2
261.04037	14.8
262.04364	1.2
305.83969	0.1
393.08298	4.3
394.08774	0.5
423.23386	0.1
457.04480	0.9
457.17291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
59.01629	0.1
61.98832	100.0
62.98546	0.2
65.00327	0.3
67.88045	0.1
71.01381	0.8
71.20590	0.3
72.00920	0.1
72.99347	0.1
73.02932	0.2
83.01383	0.3
85.02979	0.2
89.02448	1.0
96.96040	0.2
97.54317	0.1
101.02476	0.2
101.06083	0.3
106.05510	0.1
107.01427	0.3
119.05051	0.2
125.02473	0.8
131.03551	0.2
131.05099	0.2
133.03023	0.2
137.50964	0.1
144.03101	0.2
149.04579	0.4
151.00409	0.4
151.04051	0.5
153.29596	0.2
155.05045	0.2
165.01938	0.2
173.06053	0.2
175.04005	1.2
177.01981	0.2
191.03517	0.2
191.05681	0.3
193.05132	0.3
199.04016	1.7
201.02037	0.2
217.05101	0.5
233.04605	0.2
243.02972	6.9
244.03358	0.5
259.64957	0.1
261.04028	15.4
262.04333	1.3
276.69333	0.1
289.07248	0.2
293.08853	0.4
294.09079	0.4
353.11603	0.2
361.71783	0.2
393.08313	4.8
394.08517	0.6
456.08218	0.2
457.17245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2804
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
54.74913	0.2
57.03439	0.7
69.38237	1.4
69.38660	1.1
73.11478	0.2
81.03469	0.4
82.29352	0.2
83.01393	4.5
83.05007	0.3
84.01745	0.2
84.26430	0.2
95.05040	0.4
106.18945	0.2
107.05054	0.2
123.04539	0.3
130.42995	0.2
131.05028	0.2
133.06549	0.3
135.04504	0.3
136.01616	0.3
137.02452	0.8
143.67427	0.2
147.08151	0.7
147.09294	0.2
149.02466	0.5
149.09703	0.2
150.03220	0.8
151.03928	0.6
152.04759	0.2
161.09763	0.9
163.00392	0.3
163.04018	0.9
163.07622	0.4
164.04767	0.3
165.01979	0.3
166.02730	1.0
166.98145	0.2
175.04036	0.2
177.01990	0.3
177.05595	0.5
177.09245	0.6
178.02737	0.5
179.03506	12.3
180.04298	8.8
187.07607	0.3
189.01886	0.6
189.05649	0.2
189.09253	0.2
191.03523	2.7
191.07173	0.4
192.04221	0.5
193.05077	4.4
193.12234	0.2
194.05472	0.3
198.39336	0.2
201.09174	0.4
203.03412	0.9
203.10838	1.7
204.04283	1.8
205.05072	22.8
205.08633	4.6
206.05396	1.6
206.08994	0.5
217.05042	0.9
217.08549	0.3
219.06651	0.3
219.10289	1.5
229.08810	0.5
231.06554	1.4
232.07268	0.3
233.08189	3.0
234.08797	0.3
235.09668	0.5
236.03201	0.4
245.08112	0.9
247.09744	50.7
248.10245	7.3
249.11058	0.3
259.09763	2.1
260.10101	0.3
261.11261	4.0
261.18417	0.2
262.11536	0.4
273.11264	0.4
280.09488	0.3
289.14398	0.5
301.14429	1.0
302.14944	0.3
303.12436	0.2
313.14441	0.6
315.15881	0.4
317.14038	0.4
318.14676	0.7
325.14386	0.6
327.12256	0.4
329.13998	0.5
329.17694	0.7
331.15503	4.6
332.15747	0.5
343.15506	31.4
344.15836	4.0
358.96768	0.2
369.20694	0.8
371.18588	2.1
385.20093	0.7
386.20929	3.0
387.21414	0.6
455.28030	100.0
456.28342	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	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01346	0.1
69.64079	0.2
69.64526	0.7
69.65031	0.3
70.74225	0.2
70.74548	0.1
70.88271	0.1
81.99326	0.1
174.82507	0.1
455.35284	100.0
456.35626	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	455.2437
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
57.03447	1.6
61.98826	0.9
68.99799	0.3
69.50565	2.5
69.59866	0.3
79.01888	0.4
80.51873	0.2
84.09646	0.2
89.23597	0.2
97.02966	0.3
98.19901	0.6
99.08143	0.3
100.92242	0.2
101.06085	0.6
107.04964	0.4
109.02953	0.7
117.05584	0.3
121.03005	0.2
121.06613	3.0
124.01698	0.3
125.02452	0.4
125.06103	5.7
137.02466	0.6
137.09761	1.6
138.03238	2.0
139.04001	1.0
147.04550	2.6
151.00343	0.5
151.04048	0.5
152.04759	0.3
159.08180	3.7
163.07713	0.3
165.01932	1.4
166.02739	8.8
167.03072	0.4
170.02255	0.4
171.08095	0.3
175.07631	0.7
177.09210	0.6
177.98047	0.3
178.10002	0.4
180.07893	0.4
181.08701	1.1
187.07669	1.1
188.04779	1.5
189.05545	0.5
193.04993	0.3
193.08636	0.7
199.07617	0.7
201.09189	1.0
202.06358	0.7
203.07167	3.9
204.07500	0.5
205.08755	0.6
207.06654	2.0
208.07292	0.5
212.06917	0.6
215.07129	0.3
217.08615	0.3
221.08199	5.9
222.08974	22.0
223.09415	2.0
223.51468	0.3
229.12367	0.5
231.06654	0.4
233.08165	0.7
235.09821	0.4
244.07394	0.3
245.08224	1.9
246.08427	0.3
247.09827	1.2
247.16946	0.6
257.15350	0.5
259.09695	0.9
260.06879	1.1
261.07733	0.4
262.08450	0.8
271.05975	0.3
271.13342	0.6
272.14044	0.3
273.07599	1.6
273.11212	0.6
275.09286	0.5
283.13388	1.8
285.11725	0.4
285.14908	2.7
286.15329	0.3
287.12888	0.9
291.16077	1.3
300.09933	0.4
301.10828	3.2
301.14438	2.9
302.11563	0.4
302.14856	0.3
311.12778	0.8
315.12460	2.3
315.15872	0.4
316.13120	1.9
328.13049	0.5
329.13953	44.3
330.10782	0.6
330.14316	5.4
331.15540	0.3
336.83356	0.2
343.15500	0.6
368.16306	0.4
371.14966	1.1
385.16705	0.5
386.17358	16.4
387.17593	2.1
393.19095	0.3
455.24393	100.0
456.24707	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	455.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
59.01373	1.9
60.44025	0.2
61.98823	1.0
63.02402	2.3
65.00318	0.6
70.02977	0.7
71.01383	0.5
71.05028	1.4
71.72528	0.3
73.02988	0.2
76.54615	0.2
79.23464	0.2
81.03452	0.5
83.01410	0.6
85.02950	0.2
87.05614	0.5
91.01905	27.0
92.02232	1.2
93.84621	0.2
99.04529	0.4
99.08176	0.3
106.00622	0.2
107.08678	0.7
107.39503	0.2
109.06608	0.7
113.03596	0.3
116.07241	0.2
120.99604	0.2
123.04550	3.9
125.02472	2.7
130.03342	0.7
133.06613	27.4
134.06944	1.4
146.08257	8.0
147.06047	0.3
147.08575	0.2
148.05298	0.2
149.02512	0.4
149.06104	15.1
150.06441	0.9
151.00320	0.4
151.04114	0.2
151.07675	8.3
152.07977	0.5
167.03520	11.5
167.07158	0.5
168.03888	0.7
176.07155	0.2
177.05588	100.0
178.05946	6.1
179.53085	0.2
180.04184	0.2
181.05075	0.3
191.03510	2.6
192.00755	0.3
192.03789	0.2
193.01428	2.3
194.08252	0.2
195.06636	14.4
196.07014	0.8
197.08247	0.3
207.02979	0.2
209.04591	1.0
209.11821	0.6
217.11958	1.6
227.13008	0.2
233.11778	0.2
235.02463	0.6
242.00381	0.2
254.08565	0.7
270.23917	0.2
271.02484	0.4
277.12283	9.8
278.12592	0.6
292.09052	0.2
299.01917	0.3
300.02515	0.6
311.11404	1.1
311.32693	0.2
325.12332	1.2
329.08856	2.1
330.09311	0.2
355.06772	1.4
385.79297	0.2
455.18729	4.0
456.19040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49232	0.5
59.01382	10.0
60.05211	0.5
61.98832	12.8
71.01385	4.7
78.95907	5.2
79.01893	9.3
79.02295	0.7
79.47188	0.6
79.82188	0.6
79.95708	0.6
80.02666	0.8
81.03461	0.6
82.95483	0.6
83.05029	2.2
85.02971	1.8
86.58450	0.6
87.00890	0.7
89.02470	3.4
95.01461	1.0
96.96024	1.6
98.19903	2.2
99.09975	0.7
101.02495	3.4
101.03130	0.6
109.02995	0.7
111.00944	1.1
113.02500	2.3
121.06635	0.7
124.01685	4.2
125.02472	1.6
125.06131	2.7
129.07143	0.9
138.03273	1.2
139.04091	0.8
149.02451	0.7
151.00403	14.1
151.01541	1.0
151.04007	1.3
152.04787	3.9
152.99597	6.9
163.11327	2.0
165.05605	4.0
165.12865	0.7
179.03624	1.0
179.07097	2.9
180.07939	6.9
181.08374	0.9
185.90175	0.6
193.05124	2.0
193.08714	1.3
197.08160	0.8
199.46523	0.7
205.38628	0.6
207.06802	1.0
208.07420	21.0
209.07889	2.7
209.11845	19.1
209.13722	1.0
210.12276	2.0
212.06914	16.2
213.07402	0.7
222.08990	4.8
226.08531	1.6
227.03345	0.7
227.12917	3.0
230.05429	0.9
275.12997	4.1
277.14453	11.2
277.17325	0.8
278.14847	0.6
301.03586	0.7
363.14294	0.6
363.99738	0.7
367.17545	0.8
455.19321	100.0
456.19702	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	455.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56540	0.7
57.03448	2.2
58.39365	0.6
59.01386	1.5
61.98832	4.5
69.03451	1.8
71.05018	1.1
71.70882	0.6
116.44839	0.5
145.02982	2.3
153.12849	7.0
158.03729	2.9
159.04008	0.7
169.02977	0.8
170.03749	12.1
171.04071	1.0
171.10150	0.8
173.02455	3.5
186.03224	7.4
187.00421	5.3
188.00996	0.8
189.07767	0.7
197.02504	0.9
197.11867	3.1
198.03236	11.6
209.11829	1.0
213.01942	1.6
214.02760	9.3
215.02933	0.9
218.33699	0.7
237.19125	0.8
241.86505	0.6
242.02205	67.4
243.02554	5.7
257.04547	100.0
258.04895	9.3
265.14371	1.0
405.19107	0.8
414.58173	0.7
437.21964	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	455.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00602	1.4
59.01382	22.8
61.98833	100.0
65.84578	0.5
68.99828	0.6
69.03461	1.4
71.01391	21.2
71.02564	0.7
71.02935	1.8
72.99334	1.2
73.02960	4.1
75.00896	0.7
78.95936	0.9
81.03465	1.0
83.01405	1.6
85.02962	3.6
87.00876	1.2
88.98827	1.4
89.02456	32.7
90.02801	0.7
93.03464	0.9
95.60343	0.5
96.96080	1.0
96.96976	1.3
97.02979	2.6
99.00892	5.6
101.02471	8.4
101.06100	12.7
105.85928	0.5
109.03010	1.4
111.04582	0.8
113.02454	3.4
115.04048	1.6
116.92903	1.0
119.03526	1.3
119.05087	0.6
120.09690	0.6
121.02938	2.7
122.03769	1.8
123.04571	1.3
125.02459	12.8
126.02799	0.5
131.03522	6.1
137.02507	1.2
137.06123	1.1
139.07689	1.7
143.03560	1.0
143.07178	1.0
149.04572	16.6
151.00359	0.8
151.04041	0.8
161.02513	1.7
161.04579	0.6
165.01930	3.3
173.08246	0.9
175.04015	1.3
183.30360	0.6
187.11343	1.8
191.05630	5.5
199.04056	2.6
205.12411	0.6
217.05060	1.4
227.03708	0.7
230.02229	0.8
231.03111	0.7
231.10355	0.8
233.06686	4.8
233.10243	0.7
243.03000	9.8
261.04044	15.9
261.06726	0.9
273.04071	1.6
275.07739	0.7
289.07306	1.8
293.08649	25.9
294.09265	2.3
317.02988	3.0
393.08209	5.8
395.15836	0.6
425.37711	0.6
437.07291	3.0
438.07639	0.9
450.75803	0.7
455.08511	3.6
455.15680	2.1
455.20892	1.1
455.35370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01380	12.0
61.78827	0.1
61.98839	1.2
63.02396	0.3
65.00321	0.2
71.01373	0.3
71.29929	0.2
78.91891	0.7
81.03486	0.4
82.95420	0.3
83.01413	1.5
85.02917	0.2
87.00851	0.2
89.02448	0.2
91.95583	0.1
95.48640	0.1
101.02421	0.3
107.01390	0.3
121.02983	0.3
123.04574	0.2
123.08154	0.2
125.02463	17.9
125.06074	0.4
126.02834	0.7
139.04021	0.4
149.02461	2.2
151.00400	0.3
160.34227	0.1
161.02463	0.2
166.81798	0.2
167.03531	1.0
179.03474	0.3
181.75636	0.1
189.09259	0.2
197.08308	0.2
203.01572	0.3
203.03505	5.0
204.04291	10.8
205.04657	0.9
214.02789	0.2
217.05121	0.4
217.08792	0.2
218.05890	0.9
230.46413	0.1
233.08191	100.0
234.08533	8.3
242.02251	0.3
251.09254	1.5
257.04562	0.5
275.09308	0.6
285.04068	0.2
293.10291	0.4
329.08859	0.5
387.68274	0.2
395.13644	0.5
455.15121	1.4
455.21979	0.2
456.15933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01371	3.4
61.12555	0.4
61.98833	45.0
62.98542	0.5
63.99257	0.8
65.00342	0.8
69.03431	0.7
69.91885	1.8
71.01389	0.6
71.05031	0.9
72.08112	0.4
73.02975	0.5
77.88174	0.4
80.02689	0.5
80.33418	0.5
81.03462	15.1
81.47964	0.5
83.01398	3.1
85.02968	0.6
85.11944	0.4
93.03461	1.2
95.01411	0.7
95.05036	8.1
95.05598	0.7
97.02957	3.6
99.04530	11.1
100.04836	0.4
105.03463	1.0
107.01453	0.6
107.05021	0.6
109.02951	1.2
109.06573	0.5
111.04522	1.5
112.50144	0.5
113.02445	0.6
121.02975	1.1
121.06545	0.5
123.04538	15.1
123.08165	1.3
125.02463	33.7
126.02785	1.2
135.04578	0.6
137.02460	4.7
137.06116	3.6
139.04039	4.0
140.04404	0.5
148.79318	0.4
149.02451	2.1
151.00420	0.9
151.04018	1.2
153.05650	0.5
155.03497	1.0
159.04671	0.5
163.04015	0.6
164.01132	0.5
165.01991	1.3
165.05595	1.5
167.03516	100.0
168.03828	3.9
179.03499	4.2
181.05087	0.7
191.03517	1.2
191.05563	0.6
193.01399	2.5
193.04941	0.6
197.04555	20.8
198.04892	1.5
207.02992	0.7
207.10368	0.8
209.04564	16.4
210.04892	1.0
221.04648	0.6
229.05014	1.1
230.05431	3.1
235.02473	6.9
236.02846	0.6
239.05681	3.3
245.04616	1.2
247.02542	0.5
249.11362	0.6
251.05615	0.6
254.05319	0.8
264.44821	0.5
265.03497	2.9
269.06714	2.0
287.07730	13.4
287.10770	0.9
288.07990	1.0
310.70737	0.5
316.79260	0.4
335.11356	18.4
336.11816	2.0
347.11478	0.8
350.34128	0.4
355.06738	7.7
356.07199	1.0
365.12387	4.5
366.12622	0.7
392.10770	1.7
455.15329	9.4
456.16147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
59.46349	0.3
60.24944	0.3
61.98834	100.0
63.41629	0.3
70.28621	1.1
97.83273	0.3
123.04568	0.6
123.53528	0.3
125.06102	1.1
137.06129	0.3
137.09779	0.5
165.05562	0.6
165.09335	0.4
191.03513	0.5
191.10851	0.4
193.08769	1.2
195.06725	0.3
205.05124	0.3
205.12454	0.5
207.10254	0.7
209.08296	0.8
211.09866	1.4
235.09834	1.8
237.07791	0.5
247.09909	0.4
249.11295	2.5
373.20480	0.7
391.21274	13.5
391.96832	0.3
392.21582	2.1
411.78561	0.3
455.24866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74377	0.1
55.01875	0.3
57.03458	0.3
59.01382	12.1
60.01712	0.5
61.01814	0.7
61.98834	100.0
64.16698	0.1
71.01391	2.9
71.71972	0.2
72.99327	0.2
73.02952	1.4
74.03316	0.1
78.95917	1.8
79.95738	0.2
83.01399	0.9
85.02959	1.8
87.00912	0.2
89.02459	0.5
94.98118	0.3
95.01424	0.2
96.96027	9.9
96.96952	2.4
97.02986	0.2
99.00896	0.5
99.42776	0.1
101.02460	4.0
109.03012	0.2
113.02473	1.5
123.04527	0.2
125.02483	0.3
131.03523	4.1
135.04549	0.4
149.02449	0.2
152.29869	0.1
159.03088	0.3
161.04593	1.3
163.00449	0.2
195.06638	1.6
232.28532	0.2
233.04845	0.2
254.58531	0.2
263.14996	10.8
301.03610	0.6
357.11966	0.4
391.06815	0.3
392.23825	0.2
393.24084	0.2
394.24454	1.0
395.19275	3.4
411.13058	0.2
454.19250	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	454.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98830	100.0
63.17838	0.2
66.81445	0.2
70.00695	1.3
83.05038	0.3
88.98464	0.2
109.06628	0.3
111.04543	0.3
113.53593	0.2
121.06618	0.2
123.04562	0.5
125.02464	0.2
125.06048	1.0
137.06107	0.4
137.09746	0.2
149.09763	0.2
165.05623	0.6
165.09338	0.2
167.10849	0.2
191.03572	0.6
191.10786	0.8
192.07977	0.2
193.08696	1.5
195.10332	0.2
205.05067	0.4
205.12355	0.5
207.10367	0.7
209.08241	1.0
211.09761	1.3
220.07431	0.2
221.11984	0.3
235.09795	2.0
237.07745	0.5
247.09822	0.2
247.13458	0.3
249.11319	2.6
249.68619	0.2
250.11641	0.3
367.71265	0.2
373.20377	0.2
391.21246	13.8
392.21677	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	454.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43163	0.1
57.84109	0.1
58.28410	0.1
59.01381	0.4
61.98829	100.0
62.98530	0.2
70.48987	0.3
78.19876	0.1
92.21935	0.1
93.03410	0.1
98.19955	0.2
121.06652	0.2
123.04539	0.4
123.78590	0.1
125.06084	0.8
137.09731	0.2
151.04066	0.4
157.99246	0.2
159.00050	0.1
165.05595	0.6
179.10823	0.2
203.10762	0.2
203.51797	0.2
205.12405	0.3
223.09853	0.5
229.24734	0.2
231.10362	0.3
235.09711	1.8
249.11310	4.1
250.11777	0.4
276.10153	0.3
291.12476	1.0
391.21271	17.1
392.21631	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	454.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48249	1.3
57.03441	1.7
59.01379	25.1
60.01697	1.4
61.98830	42.1
64.61855	1.4
71.01399	10.1
71.71720	2.2
72.99298	2.1
75.00883	1.6
78.95937	1.8
79.01907	2.4
83.01404	3.0
85.02966	4.0
87.00890	2.9
87.25056	1.4
88.98823	4.0
89.02448	9.0
93.03441	2.0
95.01377	3.0
96.96049	1.9
97.02950	1.7
101.02463	6.7
109.02947	6.9
110.03297	1.4
113.02473	2.8
119.03549	2.7
119.05060	1.9
120.01289	2.0
123.04577	4.2
124.01676	2.1
125.02462	6.2
137.02509	2.6
139.04019	1.9
141.64409	1.5
143.83630	1.5
145.02965	1.9
148.04031	3.7
150.03197	2.0
151.00388	10.8
151.04036	3.2
152.04689	1.4
157.08757	2.8
161.02386	1.7
165.05650	2.5
175.03975	1.5
177.01970	1.7
179.03474	2.6
180.07936	2.2
191.05591	3.3
203.03571	1.5
203.07130	2.4
204.07352	2.4
205.05026	1.9
208.07422	6.2
212.06923	5.8
215.03558	1.9
215.72292	1.5
246.08501	2.0
250.13899	1.6
258.01678	41.5
259.02444	27.9
260.02817	3.7
264.18814	1.4
271.02533	18.8
272.03192	12.9
272.09024	1.5
273.03967	8.0
275.12906	3.6
277.14603	3.5
285.03986	4.3
286.86865	1.4
288.43219	1.5
289.04181	2.5
289.07227	19.5
290.07507	10.5
298.01163	1.9
301.03564	72.4
302.03940	9.5
304.02347	2.1
313.03604	5.4
316.09155	4.1
331.04575	51.6
332.04871	6.5
391.06735	100.0
392.06918	13.8
453.18155	4.0
454.12451	3.3
454.18362	17.0
455.19122	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01383	38.2
60.01717	2.2
61.98834	79.6
70.01196	1.5
70.01820	1.4
70.21414	5.5
71.01391	18.0
72.99323	3.5
73.02948	3.6
75.00889	2.1
78.95921	5.3
79.01916	3.0
80.68084	1.3
83.01424	2.4
83.05022	1.5
85.02968	5.7
87.00890	4.5
88.98814	7.5
89.02457	13.0
95.01424	3.3
95.17131	1.4
98.19982	2.3
99.00938	2.9
101.02456	9.5
107.01411	1.9
109.02999	4.2
110.09317	1.5
111.04596	2.1
113.02472	7.8
117.05593	2.6
119.03529	4.9
119.05045	2.7
120.01294	3.8
121.02977	3.3
123.04529	4.3
124.01696	3.2
124.05035	1.4
124.72628	1.3
125.02456	6.7
131.03528	2.0
133.03014	1.8
137.02463	3.8
148.04108	2.6
149.02490	3.1
150.03220	2.9
151.00385	9.1
151.04048	3.3
152.04880	1.8
155.10732	2.5
157.08760	6.0
161.02602	2.8
165.01909	2.4
165.05597	2.4
171.10338	2.3
173.04614	1.7
174.75443	1.6
175.04028	1.6
176.01210	3.3
177.01942	3.6
179.03595	1.5
180.07855	2.7
191.05667	4.7
203.07149	2.0
205.05089	2.0
208.07472	8.8
208.73485	1.7
212.06784	7.9
217.10875	2.5
231.03081	2.0
248.06549	1.8
258.01675	36.2
258.04224	3.1
259.02414	24.9
260.02655	2.7
271.02429	17.1
272.03152	13.8
272.08917	3.1
273.04016	7.1
275.12958	3.9
277.14551	4.7
285.04089	4.6
289.04135	1.0
289.07193	31.4
290.07535	5.8
301.03543	77.5
302.03903	8.3
304.02231	2.6
311.14999	1.8
313.03577	7.7
328.10184	1.7
329.10831	2.0
331.04581	47.1
332.04935	5.3
367.17752	1.7
391.06726	100.0
392.07022	13.5
394.18567	1.9
436.06226	2.1
436.89621	1.7
453.18555	6.8
454.13104	2.4
454.18478	27.0
455.19357	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2131
Annotation	Incaspitolide D
Peak:m/z	Relative Intensity
55.01880	0.7
57.03173	0.7
57.03448	9.1
59.01382	5.9
61.98833	8.1
66.58497	0.3
69.03458	1.2
71.01385	1.5
71.05020	0.9
71.72430	0.7
73.02943	0.4
73.55112	0.3
75.89117	0.4
81.03415	0.4
82.12679	0.4
83.01435	0.4
83.03031	0.4
83.05026	1.5
85.02956	1.1
85.22198	0.4
87.04521	1.7
88.98811	0.5
89.02457	1.0
95.05057	2.2
95.70634	0.4
97.06594	0.8
98.03720	0.4
99.04542	0.5
101.02456	0.6
101.06090	0.4
108.04399	0.4
109.02959	1.4
111.04537	0.5
111.08186	0.6
113.02511	0.5
119.64661	0.5
121.02988	0.8
121.06579	0.8
123.00894	1.2
123.04554	0.5
123.08201	1.8
125.02473	1.8
125.06076	1.1
133.02985	0.4
135.08194	1.0
137.02425	0.6
137.09738	1.2
139.07718	0.6
141.09198	0.6
147.08212	0.7
149.06100	0.9
149.09689	0.4
150.03255	0.9
151.04056	0.6
155.10831	0.5
157.12383	0.5
161.09729	0.9
165.05577	0.9
165.12836	1.7
175.11305	0.7
177.12823	2.0
185.09688	0.7
187.11223	0.7
191.05568	0.5
191.10721	1.8
195.10732	0.5
214.02808	0.6
217.15941	1.7
228.06271	0.5
229.15939	0.8
235.17155	0.6
242.02246	7.3
243.02974	8.2
244.03236	0.9
247.16994	2.4
257.15372	0.6
273.11426	0.6
275.16534	0.7
277.18088	0.4
287.20151	3.7
291.12338	0.9
305.21173	1.4
306.14673	1.7
315.19562	1.0
321.09778	1.5
347.22287	1.8
365.16516	0.6
365.19696	0.4
365.23383	3.8
409.22293	1.8
410.22861	0.5
415.10022	0.5
453.21274	100.0
454.12134	0.6
454.21631	14.8
468.47498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2293
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
51.87706	0.6
55.50406	0.5
59.01382	0.6
71.73244	0.8
135.00903	2.4
147.04500	0.7
149.02486	1.0
150.01932	0.5
150.03250	0.9
162.03281	1.5
163.04004	1.1
164.04799	1.1
171.21513	0.7
173.06137	1.0
175.04008	3.6
177.01944	10.6
177.05464	0.8
178.02611	1.4
188.04710	0.6
189.05586	19.8
190.06065	2.5
191.03624	1.4
200.80785	0.7
201.05560	4.1
202.06367	2.5
203.03513	1.0
204.04260	1.9
215.07169	1.0
216.04118	0.6
217.05042	12.5
218.05835	14.0
222.05318	1.3
231.02954	1.2
231.06580	1.8
232.03802	1.0
245.04559	21.2
246.05313	16.4
247.05646	1.8
257.04486	1.0
259.06119	2.6
278.04333	1.3
315.12198	0.7
316.13165	2.1
327.16122	3.0
356.16232	4.7
357.16705	1.0
384.15811	13.8
385.16226	1.7
385.20584	3.7
386.20721	0.8
409.23782	0.7
453.22803	100.0
454.23114	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	453.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59369	0.3
56.66269	0.3
56.78537	0.2
57.81238	0.2
59.01381	0.5
71.60411	0.4
76.41863	0.3
78.95912	94.5
89.02469	0.5
108.90222	0.5
110.89303	0.2
110.89928	12.0
110.98547	100.0
111.98936	0.6
124.61525	0.3
157.69872	0.3
173.40598	0.3
294.54507	0.3
341.10907	0.8
352.06976	0.3
453.10001	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41330	0.1
59.01382	4.2
61.98833	6.7
71.01397	1.3
71.71621	0.2
80.91682	2.2
85.02972	0.4
85.53793	0.1
87.00861	0.2
88.98814	1.7
89.02447	1.5
89.87271	0.2
98.79983	0.2
101.02455	0.7
104.36723	0.2
109.02942	0.2
113.02445	0.6
119.03509	0.5
120.99672	100.0
122.00060	1.6
124.01673	0.2
125.02482	0.3
132.05836	2.2
137.02438	0.3
147.04555	0.2
164.04796	1.7
179.07196	0.2
187.11305	5.4
188.11668	0.6
188.97537	0.1
191.05559	0.7
209.08220	0.6
226.11417	0.2
231.10262	10.7
232.10553	0.9
273.11633	0.7
274.09631	0.2
284.64285	0.1
303.36032	0.1
366.18024	0.4
453.18301	0.5
453.24908	1.0
454.19415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03445	1.3
58.00596	3.5
59.01379	92.7
60.01713	1.8
61.98837	8.9
70.17595	1.4
70.17999	2.2
71.01386	63.0
72.01736	0.8
72.99309	2.8
73.02948	9.9
75.22543	0.6
83.01376	2.1
85.02961	11.2
85.27512	0.8
87.00892	3.9
89.02451	100.0
90.02770	2.1
95.01414	1.3
97.02985	1.3
99.00886	10.5
101.02453	37.2
113.02469	19.0
119.03514	21.0
123.12554	0.9
125.02461	3.3
131.03522	16.1
134.41444	0.7
143.03523	3.9
149.04573	48.9
150.04897	2.0
161.04591	4.5
179.05634	18.9
191.05623	8.8
221.06712	1.7
225.33075	0.8
232.66516	0.8
251.07715	2.5
261.13406	11.6
261.60977	0.8
352.98807	0.8
393.17648	73.4
394.17990	10.1
453.23166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
61.98811	0.2
62.77747	0.1
62.96404	0.2
71.44491	0.3
71.44836	0.2
78.95912	19.3
102.46185	0.2
110.69576	0.1
120.74625	0.2
122.00167	0.7
134.98526	0.3
140.01207	5.6
152.99615	1.7
166.02733	0.4
183.87216	0.2
196.03819	10.3
197.04150	0.4
214.04892	2.0
237.22202	0.2
239.38606	0.2
248.14825	0.1
255.23293	100.0
256.23624	11.2
262.93832	0.2
268.48755	0.2
407.63382	0.2
452.27829	31.8
453.28137	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	453.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01381	5.3
61.98826	2.3
71.01383	2.6
71.71888	0.7
72.99303	0.7
75.00894	0.9
76.35474	0.5
81.03477	0.8
83.01403	1.0
83.93122	0.7
85.02959	1.3
85.06588	1.2
87.00915	0.6
88.98818	2.1
89.02453	2.4
93.03465	1.0
96.96024	5.0
96.96972	0.8
97.02989	0.8
98.95609	6.3
98.96426	1.1
99.00883	1.7
99.92596	42.9
100.92608	2.8
100.93379	5.0
101.02465	1.5
105.03474	1.4
108.02214	1.1
109.02961	2.0
111.00861	1.0
111.04541	1.1
113.02469	0.6
115.92094	52.1
116.92096	3.4
116.92878	9.3
117.92789	0.7
119.05051	0.9
120.99702	0.9
121.02956	0.7
123.00859	0.8
123.04569	1.8
124.01711	0.7
125.02467	2.3
126.94975	0.6
133.02985	4.5
134.03758	3.5
135.04552	9.9
137.02452	2.4
137.03406	0.5
139.00395	1.3
139.04021	1.1
147.01033	0.6
147.44008	0.6
149.02490	1.0
155.10811	0.9
157.08708	1.8
157.73514	0.6
158.28899	0.5
161.02435	1.7
163.00403	0.7
165.01965	1.5
167.03421	0.6
168.96019	1.7
169.93147	0.9
173.08235	0.7
174.98578	0.6
177.01958	2.0
178.02733	0.6
179.03510	9.1
180.04036	0.6
181.05086	1.4
187.03967	0.9
191.05595	5.0
192.05986	1.8
193.05991	1.9
203.03534	0.9
203.07104	1.0
204.95941	0.8
206.05322	0.8
207.47324	0.6
207.94693	0.6
210.97026	3.8
215.95200	11.4
215.97165	0.9
216.95970	5.9
217.96779	12.7
218.97549	24.8
219.94701	9.4
219.97768	2.7
220.95345	1.9
221.96251	1.8
231.94637	1.4
232.03793	1.7
232.95337	1.1
233.96315	0.7
234.97153	3.3
236.94931	0.8
238.96518	2.3
242.38156	0.6
243.94638	1.1
244.95493	2.5
246.08682	0.7
247.06154	4.3
248.94917	0.9
253.09344	0.9
255.96910	1.2
256.97684	4.1
257.00192	0.8
259.02487	1.6
260.94965	3.3
261.03979	1.1
261.95709	6.9
262.96506	36.9
263.96643	4.1
267.98181	0.8
278.95996	3.6
287.01901	1.0
289.06992	3.4
290.07437	1.4
291.07996	1.2
307.08218	2.6
309.99411	0.9
315.01382	2.1
328.10416	0.8
345.02408	0.8
373.00220	100.0
374.00427	18.0
386.98029	0.7
391.01227	4.0
395.17151	2.5
432.87115	0.8
435.00302	8.0
435.05878	1.5
436.00195	1.5
453.11023	1.2
453.14658	0.5
453.21143	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	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
60.01718	0.7
61.01816	0.2
61.98830	100.0
62.98528	0.3
69.52149	1.1
71.01389	1.1
71.89507	0.1
72.01747	0.2
73.02952	0.2
80.49518	0.2
81.03470	0.4
81.45382	0.1
83.05032	1.0
84.05379	0.2
85.02968	0.4
89.02469	0.5
99.00883	0.1
101.02440	0.9
102.02774	0.2
109.02960	0.9
109.87782	0.1
110.03294	0.4
113.02451	0.3
114.02805	0.1
119.03526	0.2
123.04556	0.4
125.02454	0.2
125.07237	0.2
135.04578	0.2
143.08189	0.1
147.04492	0.1
151.04070	0.2
155.78418	0.1
161.02463	0.2
161.04588	0.6
162.04878	0.1
165.01909	0.2
169.08479	0.1
177.01924	0.7
178.02281	0.4
189.01933	1.4
190.02299	1.2
191.03391	0.6
192.03792	0.2
195.06706	0.3
203.03604	0.1
203.20175	0.1
216.00694	0.2
217.01357	0.9
218.01819	0.7
219.02916	0.3
220.03308	0.2
224.17790	0.2
225.16080	0.5
225.18085	0.1
225.54643	0.1
226.16493	0.4
231.03015	0.3
231.16040	0.4
232.03401	0.3
241.44652	0.1
243.80843	0.1
277.10764	0.2
278.11102	0.4
334.23080	0.3
341.06607	1.4
342.07019	3.7
343.07080	0.4
391.23203	0.4
392.23639	3.1
393.23898	0.3
434.32355	0.4
451.32864	1.1
452.10699	1.7
452.16199	0.2
452.33188	5.7
453.11075	0.2
453.23413	0.2
453.33539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
59.01378	1.2
59.51563	0.1
61.98831	100.0
62.98542	0.2
64.14944	0.1
69.74496	0.7
71.01405	0.3
71.40568	0.1
82.59142	0.1
85.02965	0.2
89.02417	0.2
93.03490	0.2
98.20573	0.2
101.02450	0.2
125.02473	0.2
135.04535	0.2
136.35608	0.1
137.02463	0.2
138.71758	0.1
145.07771	0.1
150.59509	0.1
151.00409	0.3
152.00714	0.2
173.04527	0.1
177.01811	0.1
182.80908	0.1
191.05681	0.4
192.05957	0.3
193.06201	0.1
226.63921	0.1
227.07097	0.6
273.07849	0.1
274.01196	0.4
275.01523	0.7
289.03564	0.4
290.03787	0.8
322.14343	0.1
392.24115	0.1
396.15854	0.1
417.16220	0.1
440.08978	0.1
452.10651	0.2
452.18341	0.3
453.14145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90819	0.2
59.01370	1.8
61.98832	100.0
62.98558	0.3
64.48878	0.2
71.01403	0.6
73.01054	0.2
73.70921	0.2
79.51637	0.2
83.01385	0.3
85.02991	0.3
85.40993	0.2
89.02466	0.8
95.01410	0.2
98.20708	0.5
101.02475	0.6
111.08209	0.2
113.02486	0.9
132.04208	0.2
135.04541	0.2
161.04614	0.5
165.12857	4.4
166.13268	0.3
179.03789	0.2
179.05551	0.2
183.13911	11.5
184.14339	1.0
191.05682	0.4
207.13844	0.3
209.11836	0.5
221.92978	0.2
227.12895	28.4
228.13222	2.5
251.12988	0.8
269.14078	0.3
285.12622	0.3
329.16150	0.5
330.07068	0.5
366.50076	0.3
389.18173	4.8
390.18643	0.6
452.18427	0.6
453.25107	0.3
468.97504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.2
59.01373	1.2
60.01711	0.2
61.01807	0.3
61.98832	100.0
62.98539	0.2
65.00331	1.2
66.00661	0.5
69.63239	0.6
69.63670	0.5
71.01419	0.2
83.01382	0.6
84.01726	0.2
85.02952	0.1
88.42609	0.1
89.02477	0.3
98.20566	0.2
101.02480	0.2
107.01421	1.1
108.01736	0.8
109.01911	0.3
109.02962	0.1
113.02532	0.1
123.04568	0.4
124.01672	0.2
124.04877	0.3
125.02501	1.2
126.02863	0.7
127.02947	0.4
133.03014	0.2
135.04573	0.2
149.02489	0.1
150.03268	0.8
151.00392	4.7
151.03992	1.0
152.00711	3.4
152.04475	0.8
153.00787	2.5
153.04526	0.4
154.01070	1.0
155.67300	0.1
162.04855	0.1
169.01395	0.2
175.03976	0.2
177.01888	0.3
177.04562	0.2
178.02336	0.2
178.99867	0.7
180.00262	0.5
181.00392	0.5
182.00688	0.3
190.05905	0.1
191.05687	0.5
192.06015	0.5
193.06148	0.6
194.06430	0.2
201.04599	0.1
220.06044	0.1
242.05453	0.2
243.05841	0.2
258.08710	0.1
285.03983	0.8
286.04361	1.6
287.04596	1.3
288.04843	1.9
298.09988	0.1
303.05038	0.4
304.05377	0.8
305.05515	0.8
306.05902	1.0
342.07141	0.2
391.22366	0.2
392.22681	0.4
434.10742	0.2
452.11646	1.9
453.12473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92990	0.2
55.01881	0.8
57.03449	0.8
58.00577	0.4
59.01379	100.0
60.01719	1.2
61.98832	4.1
66.29655	0.3
69.03458	0.4
71.01385	11.5
71.54115	0.3
72.99327	0.5
73.02948	3.6
83.01388	2.4
83.05026	0.3
85.02958	6.3
86.03333	0.4
87.00876	1.5
89.02445	3.5
93.03464	1.2
94.03791	0.4
95.01381	0.9
95.05045	0.3
97.02965	0.4
98.19887	0.9
99.00909	1.6
101.02454	11.0
102.02778	0.4
108.02213	0.4
109.02966	6.7
111.00887	0.4
111.04533	0.5
112.04921	0.3
113.02464	5.3
117.03442	0.3
119.02766	0.3
119.03537	1.2
119.05025	0.6
121.02971	0.3
123.04540	3.4
125.02438	1.2
129.01918	0.6
133.02960	1.0
135.04549	1.4
137.02461	1.0
139.03012	0.3
143.03532	0.7
146.84065	0.3
147.04518	0.8
148.33011	0.3
149.02504	0.4
150.03262	0.6
151.03993	1.8
153.32689	0.3
155.03568	0.5
159.03008	1.1
159.04507	0.9
160.04904	0.3
161.02544	2.0
161.04568	8.3
161.05916	0.4
168.33095	0.3
172.05318	0.8
173.04570	1.3
173.05980	0.8
174.04944	0.3
174.06410	0.6
175.05217	0.5
175.06577	0.4
176.01157	0.4
177.01936	5.1
177.09221	0.4
179.05615	0.5
187.04060	0.8
187.07634	4.5
188.07994	3.4
189.01947	11.8
189.08131	2.1
190.02650	2.3
191.03508	2.6
191.05624	7.9
192.05949	5.3
193.06068	5.5
194.06421	0.5
200.04735	0.3
201.05511	0.5
202.06374	1.9
203.03558	1.4
203.06694	1.5
204.06973	1.0
205.05058	0.4
205.08617	0.4
213.09268	1.2
214.09518	0.5
215.07109	1.2
215.09689	0.4
216.00610	1.6
216.07495	1.0
217.01419	8.1
217.07845	0.8
218.02077	0.9
219.02991	3.7
220.03276	0.3
229.08690	0.6
229.18130	1.0
230.09073	0.5
231.02971	2.9
231.06682	0.5
231.10385	2.1
232.10559	1.8
233.07079	0.6
233.10663	2.3
245.08247	0.5
257.08090	0.6
258.08487	0.7
259.08798	1.2
271.87302	0.3
275.09238	2.8
276.06573	0.4
276.09552	3.3
277.10089	5.7
278.09906	0.4
289.03992	0.3
289.07022	2.2
341.06662	23.1
342.06912	2.8
391.23364	43.7
392.23712	6.3
401.51431	0.2
435.22510	0.3
451.10205	7.1
451.15628	3.4
451.25485	1.1
452.10394	1.0
452.16141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92990	0.2
55.01881	0.8
57.03449	0.8
58.00577	0.4
59.01379	100.0
60.01719	1.2
61.98832	4.1
66.29655	0.3
69.03458	0.4
71.01385	11.5
71.54115	0.3
72.99327	0.5
73.02948	3.6
83.01388	2.4
83.05026	0.3
85.02958	6.3
86.03333	0.4
87.00876	1.5
89.02445	3.5
93.03464	1.2
94.03791	0.4
95.01381	0.9
95.05045	0.3
97.02965	0.4
98.19887	0.9
99.00909	1.6
101.02454	11.0
102.02778	0.4
108.02213	0.4
109.02966	6.7
111.00887	0.4
111.04533	0.5
112.04921	0.3
113.02464	5.3
117.03442	0.3
119.02766	0.3
119.03537	1.2
119.05025	0.6
121.02971	0.3
123.04540	3.4
125.02438	1.2
129.01918	0.6
133.02960	1.0
135.04549	1.4
137.02461	1.0
139.03012	0.3
143.03532	0.7
146.84065	0.3
147.04518	0.8
148.33011	0.3
149.02504	0.4
150.03262	0.6
151.03993	1.8
153.32689	0.3
155.03568	0.5
159.03008	1.1
159.04507	0.9
160.04904	0.3
161.02544	2.0
161.04568	8.3
161.05916	0.4
168.33095	0.3
172.05318	0.8
173.04570	1.3
173.05980	0.8
174.04944	0.3
174.06410	0.6
175.05217	0.5
175.06577	0.4
176.01157	0.4
177.01936	5.1
177.09221	0.4
179.05615	0.5
187.04060	0.8
187.07634	4.5
188.07994	3.4
189.01947	11.8
189.08131	2.1
190.02650	2.3
191.03508	2.6
191.05624	7.9
192.05949	5.3
193.06068	5.5
194.06421	0.5
200.04735	0.3
201.05511	0.5
202.06374	1.9
203.03558	1.4
203.06694	1.5
204.06973	1.0
205.05058	0.4
205.08617	0.4
213.09268	1.2
214.09518	0.5
215.07109	1.2
215.09689	0.4
216.00610	1.6
216.07495	1.0
217.01419	8.1
217.07845	0.8
218.02077	0.9
219.02991	3.7
220.03276	0.3
229.08690	0.6
229.18130	1.0
230.09073	0.5
231.02971	2.9
231.06682	0.5
231.10385	2.1
232.10559	1.8
233.07079	0.6
233.10663	2.3
245.08247	0.5
257.08090	0.6
258.08487	0.7
259.08798	1.2
271.87302	0.3
275.09238	2.8
276.06573	0.4
276.09552	3.3
277.10089	5.7
278.09906	0.4
289.03992	0.3
289.07022	2.2
341.06662	23.1
342.06912	2.8
391.23364	43.7
392.23712	6.3
401.51431	0.2
435.22510	0.3
451.10205	7.1
451.15628	3.4
451.25485	1.1
452.10394	1.0
452.16141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2491
Annotation	Withametelin L
Peak:m/z	Relative Intensity
50.55936	0.3
54.30811	0.3
57.03448	0.9
59.01378	2.3
61.98833	2.4
64.69884	0.3
71.05025	0.8
71.63917	0.7
77.50958	0.3
79.05539	0.9
83.01389	0.4
85.03027	0.5
87.04519	1.0
96.96017	0.6
98.04527	0.3
101.03982	4.4
101.06061	0.4
111.04524	0.7
119.05047	6.6
121.02969	11.0
121.06611	0.6
122.03298	0.5
123.00864	0.3
123.08154	0.6
125.06071	0.4
141.09210	2.2
145.02974	100.0
146.03304	5.8
151.04086	0.4
151.07655	1.0
151.11320	0.7
159.44261	0.4
167.07144	0.8
167.10760	0.4
179.10817	0.6
185.06137	0.8
191.05687	0.5
191.16962	0.4
199.07632	0.7
199.11372	0.4
201.09245	2.0
209.11549	0.4
211.03989	0.4
225.05630	1.0
225.12901	0.9
229.05096	0.8
229.08636	1.1
229.15984	1.4
231.70662	0.4
243.13873	1.4
247.17036	7.2
248.17416	0.8
252.11459	0.4
254.13216	0.5
257.15494	0.6
259.13416	1.3
291.10211	0.9
293.11667	0.9
305.11829	0.8
305.21225	24.5
306.12595	0.9
306.21555	3.1
307.13235	0.6
327.15991	0.9
331.15521	1.1
331.20761	0.4
349.14401	0.5
349.21536	1.2
361.16370	0.4
364.16660	2.3
389.24963	1.3
407.25995	6.4
408.26410	1.3
433.23871	16.0
434.24130	2.4
451.24936	7.1
452.25436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55936	0.3
54.30811	0.3
57.03448	0.9
59.01378	2.3
61.98833	2.4
64.69884	0.3
71.05025	0.8
71.63917	0.7
77.50958	0.3
79.05539	0.9
83.01389	0.4
85.03027	0.5
87.04519	1.0
96.96017	0.6
98.04527	0.3
101.03982	4.4
101.06061	0.4
111.04524	0.7
119.05047	6.6
121.02969	11.0
121.06611	0.6
122.03298	0.5
123.00864	0.3
123.08154	0.6
125.06071	0.4
141.09210	2.2
145.02974	100.0
146.03304	5.8
151.04086	0.4
151.07655	1.0
151.11320	0.7
159.44261	0.4
167.07144	0.8
167.10760	0.4
179.10817	0.6
185.06137	0.8
191.05687	0.5
191.16962	0.4
199.07632	0.7
199.11372	0.4
201.09245	2.0
209.11549	0.4
211.03989	0.4
225.05630	1.0
225.12901	0.9
229.05096	0.8
229.08636	1.1
229.15984	1.4
231.70662	0.4
243.13873	1.4
247.17036	7.2
248.17416	0.8
252.11459	0.4
254.13216	0.5
257.15494	0.6
259.13416	1.3
291.10211	0.9
293.11667	0.9
305.11829	0.8
305.21225	24.5
306.12595	0.9
306.21555	3.1
307.13235	0.6
327.15991	0.9
331.15521	1.1
331.20761	0.4
349.14401	0.5
349.21536	1.2
361.16370	0.4
364.16660	2.3
389.24963	1.3
407.25995	6.4
408.26410	1.3
433.23871	16.0
434.24130	2.4
451.24936	7.1
452.25436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21370	0.5
54.59961	0.5
58.14148	0.5
59.01361	1.1
59.18066	0.6
60.99309	12.5
61.98835	1.4
71.72939	1.0
78.95906	6.0
87.87998	0.6
88.84261	0.5
88.98816	100.0
89.99137	1.0
96.96021	0.8
96.96967	0.5
101.06059	0.8
119.05045	0.7
152.99605	1.4
165.82619	0.5
171.00648	1.4
190.84804	0.6
196.03813	0.7
239.00803	0.5
239.03339	0.7
255.23273	6.9
255.85910	0.5
262.02432	0.8
361.20245	0.7
450.28656	1.2
451.24179	1.1
452.27838	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	451.197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.3
60.99309	13.6
61.98828	1.5
65.35406	0.6
68.49775	0.5
69.75113	4.8
78.95916	7.5
88.98814	100.0
89.99097	0.8
96.96970	1.0
101.06104	0.6
102.38885	0.6
112.44055	0.6
136.17032	0.7
152.99599	1.2
171.00598	1.1
198.45320	0.8
235.09836	0.9
255.23279	7.6
261.07288	0.6
274.65350	0.6
298.22162	0.6
361.20117	0.8
450.28436	2.5
451.28943	1.1
452.27945	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	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65412	0.2
59.01381	38.1
60.01706	0.6
61.98829	4.1
65.03944	0.3
69.78381	1.7
71.01389	2.3
73.02948	0.6
81.03467	0.9
83.01393	0.3
83.05028	1.0
85.02960	1.1
89.02435	1.5
89.03945	0.3
91.01908	0.5
93.03490	0.5
94.22919	0.2
95.05035	1.3
99.00916	0.3
101.02457	1.8
103.05549	0.3
105.03468	0.3
108.02177	0.9
109.02968	22.4
110.03312	0.9
113.02461	1.4
117.03477	0.6
119.03569	0.3
119.05064	0.8
121.02959	0.9
123.04544	10.6
124.04935	0.5
124.20876	0.2
133.02974	3.7
133.54875	0.3
135.04510	0.8
145.02925	1.7
147.04538	3.6
149.02457	0.8
150.03244	1.1
151.04044	5.5
152.04385	0.5
159.03214	0.3
159.04524	1.2
161.02470	6.0
161.04544	2.2
161.05936	0.4
162.03195	0.7
163.04027	0.5
175.04010	0.4
176.01091	0.9
177.01950	21.6
178.02283	1.1
187.04045	1.6
187.75522	0.3
189.01949	49.5
190.02687	12.6
191.03508	10.7
192.03876	0.7
192.06099	0.4
193.06117	0.4
196.06842	0.3
201.01979	0.5
203.03496	6.4
203.06819	0.3
204.03847	0.4
205.05009	0.3
216.00647	8.7
217.01418	36.0
218.01904	3.6
219.02986	13.0
220.03291	0.9
225.16101	0.7
227.07210	0.4
227.12946	0.3
231.02983	10.6
232.03601	1.3
233.04556	1.0
245.08191	0.4
255.06540	0.3
277.10672	0.6
281.04550	0.8
287.14981	1.1
288.15387	1.6
289.07162	1.8
289.15662	1.4
290.07355	0.3
297.07690	0.5
299.05725	0.5
323.05609	1.7
329.24304	0.3
341.06662	100.0
342.06995	10.3
391.23383	9.0
392.23798	0.8
433.31967	0.3
435.22665	1.4
451.10339	30.7
451.26157	0.5
451.32773	6.0
452.10693	5.2
452.33203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47314	0.5
59.01380	7.9
61.98834	8.9
63.13828	0.4
65.00282	0.5
66.74407	0.4
67.01848	0.7
68.07982	0.4
71.01392	2.1
73.02898	0.7
75.00847	0.8
76.01926	0.4
79.34187	0.4
81.03430	0.5
83.01347	0.8
85.02950	2.7
86.03268	0.9
87.00842	1.2
89.02416	1.2
89.03916	0.5
91.01846	0.6
93.03466	2.9
95.04992	1.1
101.02401	1.7
103.05520	0.5
105.03430	0.7
108.02121	0.9
109.02973	22.3
110.03268	0.9
110.34200	0.4
111.04487	1.0
113.02390	0.9
117.03441	1.0
119.05007	1.3
120.06612	0.4
121.02943	0.9
123.04545	13.2
124.04811	0.6
125.02425	0.7
133.02972	4.6
134.03671	1.4
135.00851	0.8
135.04414	1.9
137.02435	0.6
145.02916	1.5
147.04552	4.1
148.05298	0.5
149.02361	0.5
150.03163	0.7
151.00346	1.0
151.04034	6.6
153.01880	0.5
155.03534	0.5
159.04526	1.0
161.02481	6.9
161.04468	0.8
162.03131	1.4
163.03946	0.9
173.02324	0.6
173.04514	1.7
176.01103	0.9
177.01949	25.5
178.02293	1.5
179.03314	0.8
187.03889	1.5
189.01952	54.4
190.02670	11.7
191.03455	11.8
191.05576	18.2
192.04172	0.9
192.05971	8.8
193.06085	9.7
203.03517	6.3
203.10846	0.9
204.03754	0.8
215.03372	0.6
215.98711	0.8
216.00629	7.4
217.01421	37.2
218.01950	3.4
219.02988	12.8
220.03310	1.1
229.01207	0.6
229.08591	0.7
230.08882	0.6
231.00848	0.8
231.02980	10.2
231.10236	1.0
232.03543	1.2
232.10638	1.4
233.04515	0.7
233.10818	0.6
237.05803	0.4
243.03055	0.6
245.00781	0.5
257.08118	1.9
258.08487	1.8
259.02402	0.7
259.08795	1.8
271.02435	4.2
273.00366	1.4
274.01123	5.4
275.01477	0.5
275.09283	2.8
276.09662	2.3
277.09772	3.9
281.04529	0.6
287.02066	0.5
288.02777	3.0
289.03516	10.0
289.07162	2.6
289.16510	0.9
290.03879	0.7
299.05603	1.8
323.05594	1.4
341.06674	100.0
342.06964	12.4
391.23334	1.9
451.10065	36.0
451.15198	1.9
451.25446	1.8
452.10492	6.4
452.16144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01690	0.2
51.73069	0.2
59.08269	0.2
59.13215	0.2
61.98830	1.0
65.00331	0.4
69.51786	1.2
69.52215	1.1
78.91899	0.3
87.62985	0.2
89.03996	0.5
91.01917	0.4
93.03454	0.5
95.05032	0.6
103.05556	0.7
105.03466	0.3
108.02185	0.8
109.02968	23.7
110.03290	0.7
117.03480	0.8
119.05025	0.9
121.03008	0.6
123.04539	12.0
124.04836	0.6
133.02985	3.2
135.00925	0.3
135.04440	0.3
145.02963	1.7
147.04529	3.4
148.01663	0.4
149.02451	0.6
150.03255	0.9
151.04030	5.5
152.04370	0.3
159.04535	1.5
161.02461	6.1
162.03114	0.8
163.04030	1.0
173.02444	0.4
175.03955	0.6
176.01147	1.0
177.01953	22.9
178.02295	1.1
187.04066	1.3
189.01949	51.1
190.02686	11.8
191.03502	11.2
192.03859	0.6
201.01979	0.7
203.03513	7.1
203.07008	0.3
203.76791	0.2
204.03854	0.5
205.05095	0.3
213.01924	0.3
215.98486	0.4
216.00635	7.6
217.01422	37.4
218.01952	3.7
219.02980	14.1
220.03375	0.9
231.02988	12.8
232.03510	1.3
233.04457	1.5
245.08226	0.6
281.04498	0.9
289.07016	1.6
297.07742	0.6
299.05670	0.6
305.04492	0.3
323.05563	2.2
327.05072	0.3
341.06668	100.0
342.07007	11.7
363.10324	0.3
422.16681	0.3
446.18954	0.3
451.10333	29.6
452.10635	5.2
476.17450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93901	0.3
59.01376	2.5
61.98821	0.8
69.93751	0.3
71.01378	0.6
71.71159	0.5
78.95907	1.1
79.95741	1.1
81.03507	0.6
83.01354	0.4
85.02958	4.8
87.00895	1.0
89.02444	0.5
93.03448	1.9
95.04985	0.3
96.96022	72.1
97.02971	0.8
97.95937	0.4
99.04531	0.4
99.92590	1.3
101.02425	0.3
106.87373	0.4
109.02973	2.6
111.00896	1.6
111.04563	0.6
113.92646	0.7
115.92069	1.7
116.92873	1.5
121.02948	0.7
123.04540	2.3
125.02441	2.0
127.04021	1.5
127.07742	0.3
129.82021	0.3
130.81731	0.3
133.02979	2.4
133.70821	0.4
134.03777	0.7
135.04564	1.9
137.02441	3.6
137.70845	0.4
139.03960	0.6
149.02458	0.8
150.03279	0.5
151.04015	1.4
159.04489	0.3
161.02505	2.4
162.03293	0.5
164.01230	0.5
165.01938	1.1
167.03563	0.5
173.04498	0.7
175.03944	0.5
177.01921	0.7
178.02763	1.7
179.03488	2.3
187.04025	0.8
188.04814	0.7
191.05624	100.0
192.05992	4.7
203.07144	2.0
205.05058	0.9
216.98027	1.0
224.25444	0.3
227.07108	0.4
234.96936	0.5
245.08217	3.1
260.97113	1.4
262.96390	0.5
278.95978	1.0
289.07178	10.4
289.12708	0.5
290.07422	0.6
306.07349	1.0
339.25717	0.3
346.95847	0.3
353.08777	20.9
354.09134	2.3
389.01575	0.9
389.06302	0.4
451.12570	5.0
451.18079	0.5
452.12698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58025	0.5
59.01383	1.3
70.27386	0.5
79.95733	1.8
85.02952	3.8
87.00874	0.8
93.03458	2.5
96.96027	100.0
102.79774	0.6
108.90238	2.7
109.02958	1.0
111.04569	1.5
127.04024	1.6
130.44388	0.7
133.02997	1.1
134.03787	2.4
135.04553	38.9
136.04878	2.1
155.03500	1.2
161.02467	2.5
169.07397	0.6
173.04605	2.5
179.03516	36.8
180.03845	1.9
191.05637	65.8
192.06004	2.7
289.07233	2.0
332.95688	0.6
353.08792	51.0
354.09125	5.9
397.62164	0.5
429.24667	0.6
451.09338	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	451.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58297	0.2
57.03451	0.4
59.01378	1.4
62.39936	0.2
67.01914	0.5
69.03458	0.3
71.01380	0.7
71.70818	0.5
78.95917	1.0
79.95749	1.1
83.01375	0.2
83.05043	0.3
85.02960	4.7
87.00889	1.1
93.03469	2.0
95.05054	0.4
96.96025	66.2
97.02956	0.8
97.93133	0.3
98.95592	0.3
99.04508	0.4
99.92581	1.1
109.02974	3.2
111.04530	1.0
113.92628	0.8
115.92113	1.3
116.92869	0.9
119.06290	0.2
123.04546	1.8
125.02460	2.5
127.04069	1.3
133.02972	1.5
134.03784	0.6
135.04556	1.6
137.02481	2.2
139.04063	0.5
149.02460	0.8
151.03984	1.4
159.04561	0.4
161.02470	2.1
161.06108	0.7
162.03209	0.4
163.04010	0.5
164.01154	0.4
165.01974	0.6
167.03563	0.3
171.02971	0.4
173.04570	0.8
175.03947	0.4
177.01917	0.4
178.02751	1.2
179.03465	1.4
187.04047	0.4
188.04778	0.3
191.05626	100.0
192.06007	4.2
202.06459	0.3
203.03700	0.2
203.07147	1.4
205.05101	0.9
208.95393	0.3
215.95264	0.3
215.97298	0.3
216.96065	0.3
216.98070	0.6
221.08243	0.4
224.91608	0.3
232.95493	0.4
245.08224	1.8
247.06078	0.3
260.97137	1.0
262.96454	0.4
278.96039	0.5
289.07193	12.4
290.07593	1.0
306.07526	0.6
353.08804	18.0
354.09137	2.3
389.01587	0.7
407.00809	0.3
451.10602	1.2
451.17429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
71.01377	0.4
71.12419	0.6
78.46156	0.3
78.95924	1.2
79.95747	1.0
85.02964	5.1
86.15430	0.3
87.00906	0.8
93.03461	1.7
93.41667	0.3
95.53615	0.3
96.96029	51.8
108.90273	0.3
109.03011	0.4
111.04548	0.9
127.04031	1.6
133.03009	0.5
135.04552	5.6
137.02492	0.3
140.97108	0.3
153.46535	0.3
155.03566	0.3
161.02483	1.7
171.02995	0.3
173.04573	0.9
179.03520	5.8
180.03860	0.4
191.05644	100.0
192.06009	5.0
308.20148	0.3
353.08798	24.3
354.09167	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	451.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53274	0.2
58.04565	0.1
59.01370	0.2
67.42131	0.2
69.67043	0.6
69.67464	0.7
71.01385	0.2
76.08914	0.2
79.95759	1.7
85.02970	0.8
87.00889	0.2
92.05416	0.2
93.03456	0.5
96.96024	100.0
97.93153	0.2
97.95960	0.4
98.19964	0.4
98.95616	0.2
99.92625	0.4
111.04524	0.2
113.92648	0.5
115.72347	0.2
115.92081	0.2
116.92854	0.3
119.22814	0.2
121.02989	0.2
126.97440	0.2
127.03975	0.3
133.02951	0.4
134.03789	0.7
135.04546	7.9
136.04910	0.4
137.02428	0.3
161.02484	0.5
165.86797	0.2
169.72656	0.2
173.04628	0.4
174.21504	0.2
179.03508	7.5
180.03857	0.6
191.05634	15.5
192.05948	0.6
216.98122	0.5
260.97119	1.0
278.95990	0.3
289.07285	0.4
306.07666	0.2
353.08804	11.1
354.09119	1.0
371.00439	0.3
389.02011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86427	0.2
52.62271	0.2
57.03405	0.3
59.01327	4.7
61.98830	7.0
63.84160	0.2
65.00288	0.3
67.01852	0.3
69.03426	0.3
69.62631	1.8
71.01390	1.7
73.02896	0.4
75.00847	0.4
81.03419	0.2
83.01346	0.2
83.04993	0.5
85.02959	10.8
86.03286	2.0
87.00884	2.3
89.02402	0.5
93.03472	4.7
94.03802	1.6
98.19883	0.5
99.00818	0.2
99.04470	0.6
101.02427	0.5
107.01385	0.5
108.01671	0.2
109.02972	1.4
110.03307	0.3
111.04518	1.3
112.04837	0.5
113.02443	0.5
114.48668	0.2
125.02416	0.5
126.02828	0.3
127.04008	2.2
128.04323	0.9
133.02927	0.6
134.03809	1.0
135.04445	0.9
136.04854	0.5
151.00381	2.0
152.00702	0.9
155.03493	0.2
161.02377	0.3
162.03180	0.3
171.03018	0.5
172.05360	1.4
173.04416	1.9
173.05717	0.9
174.04900	0.7
177.01936	0.7
178.99936	0.4
183.04506	0.3
184.04845	0.6
187.04095	0.3
187.07652	7.9
188.04391	0.3
188.08000	8.2
189.01958	0.5
189.08061	0.3
190.02562	0.3
191.05623	100.0
192.05969	47.8
193.06084	4.5
195.06598	0.7
199.04044	0.8
200.04440	1.1
201.05104	0.4
202.06126	0.2
207.06711	0.3
212.04471	0.3
213.09242	0.7
214.09584	1.3
215.07074	1.4
216.07510	1.9
225.07761	0.3
227.03500	0.9
228.04044	2.4
229.04585	1.4
229.08723	0.5
230.09068	0.6
231.10297	1.2
232.10625	1.6
256.03198	0.3
257.03888	0.2
257.08173	7.5
258.08511	14.0
259.08774	1.2
269.04675	0.3
270.04971	0.7
272.03015	0.2
273.03311	0.3
275.09164	1.9
275.73361	0.2
276.09583	3.7
277.10077	0.3
286.04590	0.6
287.05624	0.4
288.06021	1.1
300.02960	0.3
301.03232	0.3
302.03632	0.6
303.03891	0.7
304.04572	0.4
334.37894	0.2
341.06528	1.1
391.23676	0.7
422.89264	0.2
450.15308	8.2
451.10239	0.4
451.15634	0.8
465.55750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14307	0.2
56.55592	0.2
56.86591	0.2
57.03447	1.4
58.03813	0.2
59.01377	3.9
60.01712	0.6
60.32185	0.2
61.01812	0.3
61.98832	100.0
62.98558	0.2
65.00317	0.3
68.48406	0.2
71.01392	0.6
71.71129	0.3
72.99330	0.2
73.02938	0.4
75.00870	0.2
81.03476	0.3
83.01395	0.8
85.02961	0.4
89.02474	0.4
93.03469	0.6
96.96033	0.2
101.02459	0.3
107.01398	0.4
108.01735	0.2
109.02955	0.4
113.02486	0.3
117.03430	0.2
119.03490	0.2
124.01689	2.0
125.02470	8.2
126.02803	3.2
130.30586	0.2
133.02939	0.3
139.03021	0.3
139.04031	2.9
140.04347	0.2
149.02437	0.7
150.02809	0.4
151.00386	2.0
151.04018	0.3
152.00775	0.7
153.01906	0.8
154.02240	0.3
155.03572	0.3
158.03719	0.4
159.04410	0.4
160.04883	0.5
161.02335	0.2
163.03966	0.2
165.02003	0.2
166.02396	0.2
169.06557	0.2
171.47183	0.2
173.04498	0.6
173.06027	0.5
174.04828	0.3
174.06401	0.6
176.01024	0.2
177.01819	0.2
178.99867	1.2
179.03465	0.4
180.00232	0.8
181.29498	0.2
187.04056	0.2
187.07680	1.2
188.07993	1.2
191.05597	1.3
192.05919	0.5
201.05528	0.3
201.10483	0.2
202.05986	0.6
203.06732	0.4
203.10745	0.4
204.11108	0.3
215.09314	0.2
216.07486	0.6
217.93872	0.2
225.05539	0.2
226.05914	0.3
231.10185	0.5
232.10513	0.8
242.05304	0.3
244.06868	0.5
259.02362	0.4
259.06097	3.0
260.06439	5.5
261.06580	0.4
269.04529	2.5
270.02185	0.4
270.04892	5.4
271.04987	0.5
275.09268	2.3
276.09601	4.8
277.03500	0.5
277.09790	0.5
287.02652	0.2
287.05594	2.0
288.03000	0.3
288.05972	4.3
289.06616	0.6
312.05643	0.4
343.06247	0.2
343.10242	0.2
432.10089	0.3
450.11002	8.5
451.11389	1.2
451.16733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86427	0.2
52.62271	0.2
57.03405	0.3
59.01327	4.7
61.98830	7.0
63.84160	0.2
65.00288	0.3
67.01852	0.3
69.03426	0.3
69.62631	1.8
71.01390	1.7
73.02896	0.4
75.00847	0.4
81.03419	0.2
83.01346	0.2
83.04993	0.5
85.02959	10.8
86.03286	2.0
87.00884	2.3
89.02402	0.5
93.03472	4.7
94.03802	1.6
98.19883	0.5
99.00818	0.2
99.04470	0.6
101.02427	0.5
107.01385	0.5
108.01671	0.2
109.02972	1.4
110.03307	0.3
111.04518	1.3
112.04837	0.5
113.02443	0.5
114.48668	0.2
125.02416	0.5
126.02828	0.3
127.04008	2.2
128.04323	0.9
133.02927	0.6
134.03809	1.0
135.04445	0.9
136.04854	0.5
151.00381	2.0
152.00702	0.9
155.03493	0.2
161.02377	0.3
162.03180	0.3
171.03018	0.5
172.05360	1.4
173.04416	1.9
173.05717	0.9
174.04900	0.7
177.01936	0.7
178.99936	0.4
183.04506	0.3
184.04845	0.6
187.04095	0.3
187.07652	7.9
188.04391	0.3
188.08000	8.2
189.01958	0.5
189.08061	0.3
190.02562	0.3
191.05623	100.0
192.05969	47.8
193.06084	4.5
195.06598	0.7
199.04044	0.8
200.04440	1.1
201.05104	0.4
202.06126	0.2
207.06711	0.3
212.04471	0.3
213.09242	0.7
214.09584	1.3
215.07074	1.4
216.07510	1.9
225.07761	0.3
227.03500	0.9
228.04044	2.4
229.04585	1.4
229.08723	0.5
230.09068	0.6
231.10297	1.2
232.10625	1.6
256.03198	0.3
257.03888	0.2
257.08173	7.5
258.08511	14.0
259.08774	1.2
269.04675	0.3
270.04971	0.7
272.03015	0.2
273.03311	0.3
275.09164	1.9
275.73361	0.2
276.09583	3.7
277.10077	0.3
286.04590	0.6
287.05624	0.4
288.06021	1.1
300.02960	0.3
301.03232	0.3
302.03632	0.6
303.03891	0.7
304.04572	0.4
334.37894	0.2
341.06528	1.1
391.23676	0.7
422.89264	0.2
450.15308	8.2
451.10239	0.4
451.15634	0.8
465.55750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32710	0.3
55.01875	0.6
57.03435	1.1
58.00592	0.5
59.01383	7.3
59.56232	0.3
60.99313	2.1
61.98823	1.3
65.90263	0.3
67.01894	5.1
69.03453	1.7
70.87562	0.8
70.87915	0.6
71.01389	6.6
72.99308	0.7
73.02947	1.8
81.03455	1.1
83.01396	1.3
83.05033	1.5
85.02959	9.2
87.00375	0.6
87.00883	8.0
89.02445	1.3
89.03998	0.6
93.03467	34.1
94.03819	1.3
95.01366	0.4
95.05039	0.5
97.02963	0.4
97.06607	1.3
99.00891	1.1
99.04539	1.2
101.02444	3.5
105.03469	0.7
106.79477	0.3
108.02192	0.8
109.02962	1.4
111.00908	0.7
111.04531	5.9
113.02460	2.0
117.03470	1.5
119.03554	0.3
121.02961	1.1
122.03768	0.6
124.01687	1.4
125.02459	1.5
126.03250	0.5
127.04046	2.3
129.01976	1.1
132.02206	2.7
133.02975	8.3
133.03992	0.5
134.03757	28.7
135.04550	25.1
136.04929	1.3
137.02466	5.3
139.04010	1.7
143.03540	0.5
150.03271	1.8
151.00369	1.4
151.04005	3.1
155.03514	2.0
160.01659	8.3
161.02357	1.5
162.03227	2.3
171.03009	0.5
173.04562	23.4
174.04857	0.7
177.01927	4.2
178.02733	9.7
179.03500	4.7
180.04176	1.2
187.07654	0.9
191.05623	100.0
192.05971	4.8
211.13132	0.4
213.09221	0.6
215.05545	0.5
227.12901	0.4
231.10307	1.7
257.08182	5.5
258.08505	0.7
269.21231	1.4
275.09232	23.2
276.09564	2.6
285.04056	0.5
287.22241	15.2
288.22577	1.6
290.07977	0.7
302.03214	0.4
307.08142	1.7
308.09027	7.2
309.09338	0.7
351.07199	2.7
352.07986	10.8
353.08344	1.3
431.26425	1.0
449.14633	20.3
449.27563	52.0
450.14883	2.7
450.27948	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	449.2548
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
57.03213	0.9
57.03515	7.3
59.01448	3.3
61.98895	3.0
69.03517	1.0
69.32825	0.4
71.05105	1.5
71.72894	0.5
71.73275	0.7
72.70312	0.5
78.95994	1.4
79.05598	0.6
83.05050	2.6
85.03019	1.1
85.06146	1.4
85.06693	20.2
87.04063	1.1
87.04623	5.8
93.03561	0.5
93.07165	0.5
95.05146	1.3
97.06608	6.9
98.06984	0.6
101.06163	0.7
102.68810	0.4
107.05121	0.8
109.06726	2.0
111.04532	16.7
111.08273	1.1
113.06207	1.8
119.80556	0.4
121.06668	1.1
123.04601	1.0
123.08183	2.2
125.02554	1.0
125.06078	2.2
126.02863	0.6
133.06667	0.4
135.08228	2.7
137.02568	0.7
137.06226	2.0
137.09846	0.9
139.04126	0.5
139.07697	2.5
141.09323	1.5
147.08231	1.0
149.06183	1.2
149.09859	1.6
151.00508	1.5
151.04137	0.7
151.07777	1.4
151.11453	0.9
153.09221	8.1
162.06973	0.6
163.07811	0.9
163.11464	1.7
165.09230	3.6
175.11365	1.1
177.09273	0.9
179.07338	1.4
189.09270	0.6
189.12962	1.0
191.05695	0.5
191.07326	0.6
191.10817	0.6
192.08044	0.6
193.08786	1.6
193.12505	1.2
194.12906	0.6
195.10266	5.8
196.10890	0.5
199.63214	0.5
205.08830	0.7
205.12383	2.6
207.10262	6.6
208.10799	0.5
209.11888	1.1
219.10384	0.5
219.14122	0.9
222.08926	0.6
223.13596	0.7
225.11407	1.0
231.10172	0.5
233.11958	0.8
237.11385	0.6
238.11687	1.0
239.12061	0.6
243.13846	0.9
245.15544	0.7
249.11383	1.0
259.17145	0.7
261.14929	0.8
263.13028	1.6
263.16580	1.6
275.09338	0.5
275.13211	0.9
275.16544	0.8
277.14520	0.6
279.16129	1.6
289.14502	0.8
291.15918	2.0
293.14249	0.6
293.17560	12.6
294.14828	0.6
294.18097	1.2
295.14755	0.5
303.05225	0.6
303.16046	0.8
305.17557	2.4
309.13538	0.6
331.19342	0.6
347.18607	21.2
348.19107	2.7
349.19861	0.8
357.20886	0.6
359.18689	2.5
360.18979	0.5
361.20105	2.3
373.20270	1.1
379.21277	5.7
380.21637	1.1
389.23047	0.5
391.21188	0.8
399.21786	1.5
417.22833	96.2
418.23184	15.4
418.28729	1.1
431.24637	2.9
449.25424	100.0
450.25839	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	449.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.0
59.01390	7.9
61.98833	1.9
64.43575	1.0
71.72913	1.9
78.95912	1.2
83.01382	1.1
83.05035	9.0
85.02987	1.2
85.06612	4.4
87.04530	4.0
90.12087	1.1
95.05039	1.4
99.04550	2.5
101.06107	1.6
109.06540	1.5
111.04543	15.0
111.08189	4.2
112.04851	3.1
123.04567	1.9
125.02519	1.9
141.09212	2.4
151.00409	3.8
151.03992	5.5
152.04431	2.3
153.04555	1.2
153.12889	1.3
163.11322	1.2
177.09219	1.9
180.52707	1.1
203.07228	1.0
204.07574	1.7
205.07637	1.5
207.06654	3.0
208.07176	1.5
209.08299	7.2
210.08427	2.5
211.08682	1.3
221.08232	41.7
222.08569	51.2
223.08762	38.4
224.09196	5.0
225.09459	1.7
225.11539	2.0
229.14404	1.2
235.09726	5.4
236.10104	3.3
241.10794	3.8
251.12912	2.7
255.16069	3.1
275.12433	1.0
282.01492	1.2
283.15399	1.3
293.13925	2.6
295.11859	4.0
309.16562	1.6
319.15460	1.4
320.15817	3.0
321.16385	5.1
322.17532	1.4
325.16458	1.1
334.17487	1.4
335.14758	2.5
335.18188	1.7
335.21661	1.0
351.21661	1.4
379.20786	6.0
380.21243	9.8
396.19687	1.1
405.26486	3.3
448.27927	1.9
449.28360	100.0
450.26627	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	449.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55062	0.4
57.03448	7.0
59.01381	1.0
68.99827	0.9
70.29013	1.5
71.05059	0.7
79.05603	0.4
83.01402	0.5
83.05037	2.4
85.02995	1.1
85.06605	8.4
87.04527	5.1
93.03478	0.5
95.05064	0.8
97.06601	8.7
97.07181	0.6
98.48697	0.4
101.06127	0.6
109.06626	1.2
111.04536	34.5
111.08196	1.0
112.04916	1.3
113.06100	2.9
121.06622	1.1
123.04533	0.9
123.08197	1.6
125.06145	0.7
135.08176	0.6
137.06122	0.7
137.09779	1.3
139.07693	0.7
141.09264	1.1
149.06169	0.4
149.09724	2.4
151.11346	0.6
153.09227	10.3
154.09581	0.5
163.11298	0.5
165.09207	1.9
176.83989	0.4
179.07117	0.5
189.12863	0.7
191.10789	0.5
191.54628	0.4
193.08717	0.8
195.06703	0.6
195.10298	3.8
196.10739	0.5
205.08775	0.6
205.12422	0.9
207.10252	2.7
207.13939	1.1
219.10342	0.9
221.11909	1.5
221.15480	0.7
223.06161	1.0
223.13393	0.7
233.11731	2.4
245.15395	0.4
263.12912	0.6
263.16568	0.9
275.12979	0.8
277.14594	0.6
277.17877	0.5
279.16064	0.8
287.16519	0.4
289.21774	1.3
291.16055	0.7
293.17624	2.6
303.16232	0.6
305.14279	0.5
305.17419	2.1
313.21631	0.7
331.22623	0.5
347.18643	1.2
349.20139	0.7
357.10278	0.4
357.20721	1.0
359.18860	0.5
373.20203	1.0
375.21869	0.6
379.21167	1.3
380.18365	1.7
399.21942	1.6
417.22836	100.0
418.23190	16.7
431.24487	2.1
449.25439	68.1
450.25763	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	449.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45396	0.1
55.60420	0.2
57.03449	7.5
59.01368	1.2
61.98834	0.6
68.99821	1.2
69.03457	0.3
71.05026	1.0
71.71539	0.2
73.02950	0.2
79.05547	0.5
81.03465	0.5
83.01395	0.3
83.05029	2.5
85.02959	1.8
85.06602	10.1
86.06921	0.3
87.04525	5.7
87.29209	0.1
93.03487	0.5
95.01385	0.2
95.05038	0.6
97.02968	0.3
97.06605	10.5
98.06950	0.3
99.04534	0.3
99.08182	0.3
101.06090	1.1
103.03999	0.3
107.05063	0.4
108.48715	0.2
109.02962	0.5
109.06622	1.2
111.04537	39.7
111.08185	0.7
112.04875	1.2
113.06105	2.9
121.06612	0.8
122.03758	0.3
123.00998	0.2
123.04527	1.0
123.08180	1.6
124.08544	0.2
125.06090	1.4
125.09773	0.2
127.07646	0.2
131.52979	0.1
133.06546	0.3
134.03722	0.2
135.04543	0.3
135.08180	0.7
136.05315	0.2
137.02477	0.6
137.06064	0.8
137.09744	1.8
138.10141	0.2
139.07680	1.2
141.09224	1.0
145.10210	0.2
147.08173	0.5
149.06093	0.4
149.09737	2.3
150.10078	0.2
151.00371	0.3
151.03996	0.4
151.07669	0.4
151.11331	0.7
152.99786	0.2
153.09235	12.0
154.09647	0.4
157.08714	0.8
161.02548	0.2
161.09755	0.4
162.06918	0.2
163.07655	0.4
163.11319	0.6
164.08420	0.2
165.05588	0.3
165.09239	1.8
167.10849	0.3
173.04604	0.3
175.11407	0.3
177.09175	0.2
178.99881	0.2
179.05641	0.3
179.07123	1.8
179.10800	0.6
180.07538	0.2
181.08759	0.2
181.12320	0.2
187.07695	0.2
187.11360	0.3
189.09204	0.2
189.12874	1.4
191.05597	0.3
191.07172	0.3
191.10840	0.4
192.07942	0.2
193.08702	1.3
193.12413	0.4
195.10277	5.1
196.10600	0.4
201.12909	0.2
203.10866	0.2
205.08760	0.6
205.12312	1.1
207.10284	2.6
207.13850	1.0
208.10692	0.2
209.11891	0.7
217.08641	0.2
217.12312	0.3
219.10287	0.8
219.13872	0.4
221.11816	0.5
221.15497	0.4
222.71767	0.2
223.13470	0.5
226.08505	0.2
233.11838	1.0
234.12253	0.2
235.09645	0.3
243.13831	0.2
245.11931	0.2
245.15382	0.4
247.09746	0.6
247.13412	0.5
251.09290	0.2
259.13379	0.4
259.17078	0.9
261.15042	0.3
263.12955	0.7
263.16467	1.4
265.18069	1.0
269.10196	0.3
273.14844	0.3
275.09222	0.4
275.12897	0.7
275.16180	0.2
277.14468	0.6
277.18063	0.3
279.16080	1.1
287.13370	0.2
287.16620	0.5
289.14444	0.3
291.16019	2.2
292.16379	0.4
293.17542	2.9
303.15979	1.0
305.17514	2.1
307.15637	0.5
317.17627	0.4
329.17548	0.3
330.18338	0.4
331.19116	1.8
345.20749	0.3
347.18677	2.4
348.19022	0.2
349.20407	0.8
355.22833	0.5
357.20883	1.0
359.18689	0.4
361.20337	0.7
373.20203	1.2
379.21164	0.6
391.21182	0.2
399.21686	1.7
405.21494	0.3
405.26672	0.4
417.22836	100.0
418.23175	16.2
431.24854	1.2
449.25433	67.9
450.25809	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98826	0.7
67.01883	0.2
69.59466	1.6
71.01386	0.8
73.02958	0.3
81.03455	0.3
85.02428	0.4
85.02957	8.0
86.46223	0.2
87.00889	1.7
93.03471	3.6
94.03796	0.2
98.20706	0.2
99.04517	0.4
105.03468	0.3
109.02980	0.9
111.04522	1.3
113.02457	0.3
125.02439	0.2
125.11574	0.2
127.04030	1.9
127.10702	0.2
133.02994	0.6
134.03743	0.7
135.04553	0.5
137.02448	0.2
151.00401	0.6
155.03520	0.2
161.02602	0.2
162.03200	0.3
171.03020	0.4
172.05316	1.3
173.04552	1.8
177.01965	0.3
178.99875	0.2
183.04543	0.5
187.07666	11.2
188.07997	1.0
191.05626	100.0
192.05997	4.4
199.04037	1.3
200.04764	0.4
202.06277	0.4
204.04292	0.2
211.07693	0.2
213.09175	1.4
214.06427	0.3
215.07121	2.1
227.03494	2.0
228.04288	1.5
229.08701	0.7
231.10178	1.5
257.08176	12.5
258.08521	1.6
275.09250	2.9
276.09552	0.2
302.03375	0.2
376.28760	0.2
389.21707	0.4
438.44269	0.2
449.14716	5.2
450.15152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2547
Annotation	Laserpitin
Peak:m/z	Relative Intensity
51.69247	0.4
51.82894	0.3
54.36180	0.3
57.03448	0.8
59.01379	1.0
62.96414	1.3
71.01402	0.8
73.51584	0.3
78.95906	4.0
80.97486	2.3
82.96777	0.3
83.05025	0.6
85.06608	0.5
93.03445	0.4
95.01408	0.5
97.02950	0.6
101.06094	82.3
102.06426	2.4
108.02201	0.5
109.02962	1.2
111.04541	0.9
121.02978	1.5
122.03775	1.6
123.00898	8.4
123.04525	0.6
123.08192	0.5
124.01751	0.4
125.06101	0.7
133.06664	0.4
136.01703	2.3
137.02478	7.4
138.03212	0.5
141.09258	0.4
143.18376	0.4
149.00099	1.2
149.02472	4.8
150.03261	4.0
151.00432	0.8
151.04022	0.7
161.02382	0.3
163.04100	0.4
163.50966	0.3
164.04761	0.9
165.05617	0.5
186.57184	0.3
189.05579	0.9
190.06410	0.7
193.12386	0.4
205.15955	0.6
207.06693	2.4
208.07381	0.9
225.07684	5.1
226.08084	0.4
240.06401	0.5
243.13982	0.6
261.14899	1.3
263.12863	1.4
271.13531	0.5
275.12860	3.0
276.13535	1.1
277.14413	2.1
280.12805	0.5
289.14465	4.7
290.14777	0.7
308.12598	0.5
329.17682	3.3
347.18646	81.0
348.18985	10.1
355.16837	1.3
361.19870	0.4
365.19760	1.6
382.43124	0.3
385.17981	1.2
389.71402	0.3
417.22897	0.4
449.14871	8.6
449.25421	100.0
450.15604	0.8
450.25793	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01376	2.2
59.66708	0.2
60.99306	0.2
61.63757	0.2
61.98825	0.8
65.00332	0.3
67.01890	0.5
69.03454	0.4
71.01384	0.9
71.05173	0.5
71.05543	0.3
73.02959	0.3
73.35455	0.2
75.00873	0.3
81.03461	0.2
83.05009	0.4
85.02956	9.0
86.03280	0.3
87.00874	1.6
89.02441	0.2
93.03467	3.8
94.03861	0.2
99.04509	0.6
101.02447	0.3
106.31722	0.2
107.01375	0.3
109.02981	0.9
109.36419	0.2
111.04525	1.6
113.02466	0.2
125.02456	0.4
127.04044	2.2
132.99091	0.2
133.02971	0.5
134.03734	0.9
135.04489	0.5
137.02411	0.4
146.83879	0.2
150.03204	0.3
151.00415	1.1
155.03473	0.3
170.42888	0.2
171.02974	0.6
172.05313	1.7
173.04549	1.8
177.01915	0.4
183.04526	0.7
187.07652	10.0
188.07994	0.9
191.05621	100.0
192.05974	4.3
199.04010	1.1
200.04669	0.7
202.06329	0.4
204.04326	0.4
211.03989	0.3
213.09221	1.2
215.07118	2.3
227.03488	1.9
228.04237	1.6
229.08716	0.8
231.10266	1.9
257.08173	13.0
258.08530	1.1
269.04486	0.3
271.02463	0.3
272.02835	0.3
273.03091	0.4
275.09229	3.5
276.09509	0.3
285.04065	0.5
287.05630	0.2
287.15018	0.3
300.02869	0.3
301.03058	0.6
302.03534	0.8
303.04398	0.6
319.54956	0.2
449.10019	1.0
449.14975	5.7
449.23965	0.3
450.14987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21964	0.5
55.48729	0.6
57.27061	0.5
59.01384	5.0
61.13507	0.5
67.01919	0.8
69.03463	1.2
70.31377	2.5
71.01373	1.4
71.69093	0.6
73.02944	0.7
81.03468	1.1
83.05037	2.0
85.02964	11.3
87.00884	8.2
93.03477	7.3
109.02969	1.3
110.43877	0.5
111.04527	3.3
125.26464	0.5
127.04035	2.3
127.82888	0.5
129.01993	0.8
146.03760	1.5
149.06068	1.8
151.07614	0.7
155.03534	3.5
158.03772	0.6
159.04521	4.5
159.08153	0.8
163.12610	0.6
172.05334	6.5
173.04549	7.4
173.06093	9.9
174.06857	1.1
175.04070	0.6
175.07686	0.7
182.03770	1.1
183.04498	2.0
184.05370	0.8
185.06056	0.6
185.09813	0.6
186.06892	0.8
187.04115	5.1
187.07663	50.8
188.08014	4.7
191.05632	100.0
192.05978	4.9
195.08133	0.6
198.06827	1.0
199.04024	1.3
200.04836	3.9
201.05569	8.8
201.09256	1.0
202.06372	18.9
203.06764	1.7
203.10786	2.2
204.04333	1.0
211.07668	0.8
212.47551	0.6
213.09235	14.1
214.09612	0.9
215.07143	16.6
216.07858	3.2
227.03540	1.2
227.07039	0.7
228.04303	1.3
229.08714	7.7
231.06773	6.6
231.10262	32.5
232.10664	1.9
247.09799	1.5
257.08221	10.5
275.09241	58.2
276.09567	4.2
287.50543	0.6
387.01904	0.6
405.12061	0.8
408.74554	0.7
449.14633	11.7
450.14737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50239	0.4
57.03451	1.2
59.01379	2.1
60.99301	1.9
61.98836	2.6
61.99120	0.4
67.01885	5.6
69.03454	1.5
71.01389	3.6
71.29877	0.5
71.30209	0.6
81.03450	1.1
83.01392	0.4
83.04974	0.4
85.02948	2.2
87.00891	7.1
93.03470	33.2
94.03818	1.1
97.06631	0.5
99.00873	0.6
99.04512	0.6
101.02450	0.7
101.08400	0.4
106.04253	0.6
108.02193	2.9
109.02936	1.4
111.00910	0.7
111.04545	4.0
113.02505	0.7
121.02955	2.9
122.03764	1.4
124.01676	7.0
125.02489	4.4
126.03284	2.3
127.04027	1.1
129.01970	1.0
133.02995	4.5
134.03763	14.9
135.04546	100.0
136.04793	4.5
137.02487	3.1
145.06567	0.4
146.05862	0.5
150.03268	5.3
151.00365	1.3
151.04031	15.4
151.05252	0.9
152.04364	1.1
154.02708	0.5
155.03577	0.9
155.87885	0.4
160.01665	1.9
161.02470	2.6
162.03212	1.5
163.03960	0.6
167.03426	0.8
173.04584	11.7
174.04886	0.5
177.01968	1.4
177.05634	0.6
178.02762	2.0
179.03517	22.5
180.04228	4.5
181.04884	0.6
189.05663	0.7
191.05623	19.3
192.05925	1.1
213.05519	0.4
250.53806	0.4
257.08218	2.7
275.09280	2.4
285.04272	0.7
289.07275	0.5
290.07990	2.5
306.07349	0.9
307.08224	7.0
308.09009	26.3
309.09305	3.0
317.19727	0.9
323.07736	0.8
351.07306	1.7
352.08023	23.1
353.08334	3.0
449.14566	22.1
450.14871	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	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
57.97688	0.3
59.01089	0.5
59.01380	7.5
61.46059	0.4
61.98830	4.6
64.07143	0.3
65.00331	2.8
67.01897	0.9
69.03456	1.0
69.53220	2.8
71.01363	1.9
73.02964	0.8
81.03442	0.8
83.01394	1.4
83.05028	1.2
85.02957	8.8
85.03450	0.7
87.00896	5.1
88.97417	0.3
88.98851	0.4
89.02434	0.9
93.03470	8.0
98.20641	0.7
101.02443	0.9
107.01415	3.5
109.02973	2.5
111.00883	0.3
111.04534	3.3
113.02483	0.8
123.04537	2.0
125.02453	4.5
127.04059	2.8
129.01964	0.7
133.02974	1.0
134.03743	1.1
135.04541	7.5
137.02449	0.9
143.03436	0.4
146.03754	0.6
146.08437	0.4
149.02429	0.4
149.06075	1.0
150.03232	1.9
151.00391	19.0
151.03978	2.2
152.01033	1.4
155.03535	2.4
158.03758	0.5
159.04514	2.9
161.02458	1.3
165.01918	0.5
171.03023	0.6
172.05348	3.4
173.04559	8.0
173.06090	4.2
174.03333	1.8
174.04617	0.4
174.06847	1.5
175.00407	0.7
175.03996	1.5
175.07674	1.7
177.01996	1.9
178.99820	1.9
182.03745	0.4
183.04520	1.4
184.05255	0.8
185.06052	0.5
185.09891	0.4
187.04088	3.8
187.07655	28.8
188.08026	2.2
191.05629	100.0
192.05962	4.0
195.08020	0.4
197.06149	1.7
198.06828	0.7
199.04010	1.7
200.04788	2.7
201.05571	4.3
201.09164	0.7
202.06358	10.2
203.06812	0.9
203.10779	2.0
204.04370	0.4
211.07733	0.9
212.08383	0.4
213.09218	14.5
214.09563	1.3
215.07117	12.6
216.07843	1.9
217.05054	0.5
227.03505	1.3
227.13013	0.6
228.04288	0.9
229.04909	0.4
229.08719	3.9
230.09462	0.8
231.06841	2.7
231.10263	23.3
232.03732	0.7
232.10544	2.2
241.05061	0.5
243.02866	0.5
256.03668	0.4
257.08188	21.5
258.08487	1.4
269.04456	0.5
275.09241	34.0
276.09543	3.1
284.03293	0.5
285.04041	6.0
286.04486	0.6
287.05609	9.6
287.15027	3.2
288.05939	0.8
297.09781	0.5
302.03922	0.4
303.05026	1.6
325.03348	0.5
389.21780	1.1
407.07715	0.7
449.09164	3.5
449.14548	7.5
450.09357	0.7
450.15002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01384	25.0
60.01714	0.5
60.99316	0.4
61.98833	3.8
62.57405	0.4
62.76266	0.4
63.02415	0.5
65.00330	9.3
66.00675	0.6
67.01906	0.6
69.03467	0.6
69.53677	1.9
69.54115	1.6
71.01385	5.8
72.99313	2.0
73.02962	1.4
75.00883	3.5
76.01236	0.4
81.03481	0.5
83.01397	4.3
83.05038	0.9
85.02959	11.1
87.00893	3.0
89.02456	3.8
93.03470	7.3
95.01392	0.9
97.21083	0.4
98.75765	0.4
99.00889	0.7
99.04549	0.7
101.02452	3.7
107.01411	13.2
109.02956	1.9
111.00900	0.4
111.04554	1.6
113.02474	2.5
119.03545	1.5
123.00935	0.6
123.04537	4.7
124.01698	2.2
125.02464	13.2
127.04020	2.8
133.02983	2.4
134.03796	0.8
135.04564	1.3
137.02483	0.7
143.03554	0.5
143.70743	0.5
149.02481	1.8
150.03258	9.7
151.00398	56.8
151.04018	10.1
152.01189	7.5
152.04333	0.4
153.01892	1.5
154.79681	0.5
155.03513	1.0
159.04559	0.6
161.04622	2.8
163.10301	0.4
169.01462	1.3
171.03065	1.0
172.05315	1.0
173.04588	5.2
173.05997	0.8
174.03241	0.5
174.06798	0.5
175.04021	2.5
175.07703	0.5
176.01180	0.8
177.01933	3.0
178.99879	9.8
179.05632	0.7
183.04535	0.5
187.04042	0.9
187.07664	7.9
188.08057	0.8
189.05580	0.9
191.05641	100.0
192.05988	4.8
199.04060	2.2
200.04767	0.5
200.92628	0.4
201.05542	0.7
202.06308	1.2
203.10780	0.6
213.05597	1.0
213.09267	2.6
215.07079	2.5
217.05063	1.2
227.03525	4.1
228.03882	2.8
229.04036	2.9
229.08702	0.8
231.06670	0.7
231.10310	5.3
241.05084	1.5
243.02968	0.5
255.03026	3.1
256.03302	2.4
257.03662	3.8
257.08194	11.0
258.04300	0.6
258.08533	0.9
259.06104	0.6
266.37180	0.4
267.12543	1.1
268.12643	0.8
269.13000	1.1
275.06110	0.8
275.09244	8.5
276.09595	1.0
284.03339	2.4
285.04044	29.3
285.13455	2.2
286.04117	5.6
286.13693	2.4
287.04425	1.3
287.14069	2.9
297.09787	2.2
299.02075	0.6
302.04330	1.5
303.05106	12.8
304.05411	1.3
323.07797	1.6
389.21799	10.2
390.22049	1.3
448.18530	0.5
449.10107	18.6
449.19669	1.4
450.10333	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	449.1092
Annotation	Stillopsin
Peak:m/z	Relative Intensity
54.20012	0.4
56.24681	0.5
57.03452	5.5
59.01383	14.0
61.42938	0.4
61.98833	11.9
61.99142	0.7
63.02432	0.6
65.00320	3.6
67.01910	0.6
69.03462	0.6
70.41856	1.1
70.42213	1.4
71.01387	4.4
72.99325	1.1
73.02970	0.8
75.00900	0.8
81.03464	3.8
83.01402	5.5
83.05026	0.8
85.02985	1.9
87.00878	1.0
89.02467	4.5
93.03465	5.6
95.01401	0.8
96.34439	0.4
97.02974	0.8
101.02457	3.9
106.73451	0.5
107.01410	5.4
109.02964	2.5
111.04594	1.1
113.02490	1.9
119.03532	2.1
119.04972	0.6
120.99691	1.2
121.02981	1.8
123.00868	0.7
123.04541	2.6
124.01699	2.0
125.02469	44.1
126.02828	1.7
131.01384	0.8
131.05049	1.1
133.02972	2.4
135.04536	0.8
137.02481	1.7
139.04056	2.3
139.07703	1.8
145.02986	0.5
147.04536	0.8
149.02486	2.7
150.99170	1.0
151.00391	17.9
151.03983	0.5
151.07709	0.7
152.01175	3.6
153.01976	6.3
155.03601	0.9
155.05052	0.6
157.06636	1.4
158.03773	2.8
159.04529	4.0
161.02496	0.9
161.04573	1.5
163.04008	0.6
163.11374	0.5
165.01956	2.2
167.03516	1.1
169.01505	1.8
172.05325	4.6
173.04568	2.6
173.06107	10.6
174.03242	0.5
174.06769	0.9
175.00406	1.5
175.03995	3.7
175.07742	0.7
176.01201	0.6
177.05591	3.9
178.99884	17.2
179.03459	0.6
179.05710	0.9
179.10841	0.6
181.01453	2.0
187.04050	1.2
187.07668	7.7
188.08020	0.8
191.05634	6.5
192.47820	0.6
195.03018	0.9
197.06117	0.8
199.04063	1.9
199.07704	1.5
200.04771	1.3
201.05525	3.7
202.06381	1.9
202.99892	0.6
203.03464	0.7
203.10825	1.6
213.05667	1.2
213.09125	0.7
215.07146	14.0
216.07591	0.9
217.05029	0.6
220.75722	0.6
225.05592	0.5
227.03571	0.7
231.10101	3.2
241.05069	2.1
241.14453	10.3
243.03024	2.2
243.06638	5.8
255.06731	0.9
257.08072	1.0
259.06110	100.0
260.06433	9.3
269.04523	1.6
273.07712	1.9
275.09247	17.3
276.09592	1.9
283.06171	18.6
284.06396	1.6
287.05615	66.0
288.05978	6.8
297.03760	0.5
301.07211	7.5
302.07532	1.0
311.05643	2.0
313.07092	2.0
329.06723	0.9
343.06470	1.0
361.09396	0.7
363.08408	0.6
387.16705	3.2
403.10690	0.6
403.19754	9.0
404.19904	1.4
421.11447	17.4
422.11700	2.8
449.10519	9.0
449.19626	2.6
450.10388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.1
59.01379	12.4
60.01697	1.1
61.98832	29.5
63.02402	1.1
65.00327	2.8
67.01884	0.6
69.61584	5.3
71.01381	1.9
78.76788	0.6
81.03472	2.6
83.01398	7.6
85.02961	1.3
89.02468	0.8
93.03452	3.4
95.01416	0.8
97.02947	1.4
98.19909	1.6
101.02470	1.7
107.01395	4.2
108.02203	0.8
109.02996	2.3
111.00894	0.6
111.04507	1.3
117.03479	3.0
119.05046	0.7
121.02962	1.7
123.04548	1.4
124.01681	2.8
125.02460	100.0
126.02830	3.3
131.05034	0.8
133.02956	2.3
135.04567	1.3
137.02437	0.7
139.04016	3.7
145.02989	1.0
149.02457	10.2
151.00385	21.4
151.01566	1.5
152.01237	3.9
153.01930	6.7
155.03560	1.3
155.04871	0.7
157.06653	1.2
158.03700	3.2
159.04527	6.2
161.04552	0.7
163.00403	1.6
165.01949	0.9
169.06609	1.4
172.05307	2.5
173.04558	3.8
173.06094	6.7
174.06810	1.1
175.04031	1.6
175.07675	1.0
176.01207	1.6
177.05568	2.8
178.99886	13.4
179.03456	4.0
180.00378	1.0
181.06551	1.0
187.04099	1.5
187.07657	12.7
188.08051	0.8
191.05592	7.6
196.05295	1.2
197.06065	2.2
199.04070	1.4
199.07675	0.7
201.05534	4.7
202.06337	3.5
203.10765	2.6
204.04202	0.8
213.05592	1.0
215.07140	5.6
225.05582	4.0
226.05864	0.8
231.10297	6.6
241.04991	2.2
243.06612	6.1
257.08215	0.8
259.06091	75.6
260.06378	6.9
268.03900	1.2
269.04532	65.1
270.04874	7.0
275.09229	32.9
275.12286	1.1
276.09564	2.3
283.06107	1.6
287.05600	53.2
288.05847	4.5
311.05557	2.1
315.07254	0.8
342.05783	1.0
370.87665	0.7
389.21350	0.8
431.09683	1.5
449.10770	80.4
450.11154	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	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
59.01380	24.2
60.01719	1.0
61.60777	0.5
61.98833	10.1
63.02400	1.0
65.00323	14.0
67.01883	0.8
69.03479	1.1
69.40240	4.0
69.40669	2.1
71.01383	4.4
72.99309	6.2
73.02956	0.8
74.99758	1.1
75.00877	8.9
76.01210	1.1
77.01313	1.0
81.03477	1.0
83.01399	7.0
83.05054	1.0
85.02960	11.1
86.03323	0.8
86.08958	0.6
87.00881	3.4
87.04528	0.6
89.02456	3.6
93.03470	9.2
93.04003	0.8
95.01405	1.2
98.19816	1.2
99.04532	0.7
101.02455	3.1
107.01399	19.3
108.01694	0.6
109.02962	1.9
111.04536	2.9
113.02473	1.7
119.03483	1.4
121.02972	0.9
123.04549	7.8
124.01697	3.5
124.02470	0.5
125.02457	19.4
127.04027	2.6
133.02969	2.5
134.03738	1.9
135.04543	2.7
137.02458	1.1
139.00375	0.6
141.01935	0.8
143.03546	0.6
147.04504	0.9
149.02419	1.7
150.02011	0.7
150.03238	14.0
151.00391	78.1
151.04018	13.7
152.01192	12.4
152.04369	1.1
153.01894	2.5
159.04562	0.7
161.04552	1.7
165.12852	1.0
166.13239	0.7
169.01491	1.3
172.05296	1.3
173.04564	7.0
173.06085	1.4
174.06883	1.1
175.04031	4.0
176.01241	1.1
177.01950	4.6
178.99876	15.1
179.05646	0.6
180.00220	1.1
181.01421	0.7
185.06053	0.7
187.03975	0.9
187.07634	7.3
188.04771	0.8
188.08075	0.6
189.05621	1.4
191.05623	100.0
192.06038	4.8
197.06268	0.7
198.03207	0.9
199.04015	3.4
200.04713	0.6
201.05530	1.0
202.06335	1.9
203.07144	0.7
203.10681	0.9
209.11884	0.9
213.05589	1.3
213.09174	3.4
214.09694	0.6
215.03577	0.9
215.07109	2.6
217.05138	1.6
227.03528	4.9
228.03864	4.6
229.04001	3.8
231.10266	7.7
241.05185	1.8
255.03001	5.8
256.03323	4.0
257.03720	5.8
257.08142	10.6
258.04456	0.9
258.08487	1.0
258.39670	0.5
259.06256	0.9
267.12280	2.6
268.12680	2.6
269.12851	3.0
275.06006	0.9
275.09229	12.0
276.09723	0.7
284.03375	3.3
285.04034	40.6
285.13367	6.0
286.04083	9.1
286.13770	8.9
287.04535	1.9
287.13956	9.0
297.09747	4.5
299.01801	0.8
302.04300	3.2
303.05118	17.1
304.05411	1.3
316.01965	0.8
323.07703	2.2
389.21780	5.8
448.18994	0.8
449.10120	26.2
449.19153	4.9
450.10522	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14637	0.4
57.03450	3.5
59.01384	1.7
63.02389	2.1
64.38988	0.4
65.00328	28.2
66.00679	0.8
81.03471	1.0
83.01392	13.1
85.02948	2.2
87.00893	1.1
93.03474	1.6
95.01417	0.8
98.19808	0.5
105.03463	0.9
105.24759	0.3
107.01403	31.8
108.01694	0.8
108.99348	0.4
109.02961	2.0
111.00951	0.8
121.02976	1.2
122.03764	1.0
123.00951	0.7
123.04539	12.7
124.01680	6.1
124.04860	0.4
125.02467	27.2
126.02803	0.6
126.25891	0.4
130.19135	0.4
133.02962	5.0
135.04518	3.2
137.02483	0.9
139.00380	0.5
145.02924	0.4
147.04526	1.2
148.01637	0.5
149.02496	3.1
150.03249	23.5
151.00392	100.0
151.04021	19.3
152.01192	20.7
152.04366	0.8
153.01936	2.5
155.05008	0.6
158.03705	0.4
159.04570	0.9
161.02538	0.4
161.06065	0.9
168.70384	0.3
169.01404	2.0
171.04491	1.0
172.05257	0.5
173.02435	0.7
173.04633	0.4
173.06041	1.3
174.03220	1.2
175.04033	5.7
176.01196	1.3
177.01942	4.5
178.99873	13.7
180.00330	0.7
181.01514	0.5
182.03926	0.4
185.06108	1.4
187.04024	0.9
187.07664	3.3
188.04771	0.6
189.05559	1.4
191.05621	8.3
192.05965	0.4
193.05075	0.9
197.06075	1.0
199.03989	4.8
200.04570	0.7
201.01952	0.9
201.05530	0.7
202.06314	0.6
211.03938	0.4
213.05569	1.3
213.09174	0.7
215.03551	0.6
215.07121	1.3
216.04356	0.7
217.05128	2.9
229.05038	0.8
229.88219	0.4
231.06656	0.6
231.10262	1.9
241.05124	2.2
243.03065	0.7
257.04471	1.5
257.08194	1.7
259.06021	0.9
267.02924	0.6
275.05811	0.8
275.09225	3.5
285.04037	44.1
286.04309	3.0
297.09808	5.1
298.10150	0.5
302.04312	3.0
303.05109	22.1
304.05524	1.9
323.07648	2.2
422.92038	0.4
431.09854	1.0
449.10794	13.1
450.11139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
58.00599	0.4
59.01381	29.3
60.01706	2.1
60.53685	0.4
61.01834	0.8
61.98832	100.0
65.85542	0.4
71.01390	3.5
71.71157	0.5
72.99319	0.9
73.02945	1.3
81.03475	0.6
83.01392	1.2
83.05048	1.1
85.02944	1.7
87.00906	0.7
89.02452	4.1
90.02825	0.5
93.03481	1.7
93.37923	0.3
95.01419	0.4
101.02434	1.8
103.98305	0.3
107.01398	0.7
108.19873	0.3
109.02987	0.7
109.77139	0.3
111.04522	1.9
112.46935	0.4
113.02486	1.4
116.11275	0.3
119.03545	1.4
119.05049	0.4
120.03878	0.3
120.99702	0.7
121.02934	0.5
123.04549	0.5
125.02467	10.8
127.04027	0.4
136.99176	0.4
137.02432	0.5
139.04002	0.4
142.58603	0.4
143.43973	0.4
146.03787	0.7
147.04561	0.5
149.02493	1.3
150.53094	0.3
151.00375	2.4
152.01134	0.7
153.02042	0.8
155.03535	1.3
158.03764	4.0
158.08304	0.4
159.03276	0.6
159.04533	4.4
159.06633	0.5
161.04617	1.2
162.05006	0.4
163.00378	0.4
165.01924	0.5
172.05283	0.8
173.04588	4.1
173.06136	4.2
173.07367	0.4
174.06900	1.4
175.07704	1.1
177.01944	0.7
177.05608	0.6
178.99887	1.5
179.03433	0.4
179.05701	0.5
179.53513	0.3
187.04163	1.7
187.07660	13.7
191.05632	7.8
192.05984	0.7
196.05562	0.4
197.06068	0.4
199.00720	0.4
201.05659	1.1
202.06371	3.3
203.10718	3.2
213.09265	0.8
215.07225	1.0
216.07980	0.6
225.05646	0.5
231.10260	7.6
243.06584	0.5
257.08252	0.8
259.06122	8.7
269.04520	8.5
269.13757	0.4
275.09235	40.5
287.05606	6.2
329.06622	0.5
361.06268	1.0
374.15704	0.6
388.20709	2.7
389.21918	0.5
442.86993	0.4
449.10886	6.2
449.15308	3.3
449.20673	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	448.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72827	0.1
57.58466	0.1
59.01362	0.2
60.17196	0.1
61.98833	100.0
62.98543	0.2
67.01890	0.3
70.47124	0.3
70.47497	0.5
71.01392	0.3
87.00916	0.5
92.74304	0.1
93.03471	2.8
107.11936	0.1
111.04578	0.6
112.35760	0.1
112.98447	0.1
122.29607	0.2
129.01820	0.2
134.03807	0.3
135.04579	0.2
139.04041	0.5
151.00372	0.2
162.03267	0.3
173.04599	2.3
173.06018	0.3
179.03497	0.2
179.10794	0.8
191.05664	0.5
193.02179	0.1
204.86163	0.2
211.13490	0.4
212.13896	0.2
223.09776	6.2
224.10115	0.4
236.67010	0.1
265.10782	0.2
275.09329	0.2
285.03992	0.2
301.03357	0.3
302.03845	0.2
308.09167	0.2
385.15186	1.2
448.09616	0.3
449.14594	1.4
449.27203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04207	0.3
52.27829	0.2
59.01377	2.5
61.98832	100.0
71.01392	1.0
85.02959	0.3
87.46203	0.2
89.02473	0.6
92.58327	0.2
93.03477	0.7
95.05050	1.0
97.02976	0.3
98.20637	0.5
101.02461	0.5
107.01447	0.4
109.03082	0.4
111.00905	0.3
113.02452	0.3
119.03535	0.4
121.02952	0.5
123.04575	0.3
125.02432	0.4
125.06149	0.8
133.02950	0.4
135.04587	0.6
137.09810	0.4
139.04015	1.6
151.00394	2.1
151.04021	0.5
152.00929	0.2
157.65758	0.2
162.64426	0.3
163.04053	0.4
163.92865	0.2
165.01979	0.3
173.04610	0.6
177.01935	0.3
178.99922	0.4
179.10796	6.0
180.11168	0.5
187.07829	0.3
191.05569	1.3
205.08708	0.3
207.10338	0.3
221.08249	1.0
223.09761	30.2
224.10091	1.9
244.03339	0.3
247.09753	6.9
247.12349	0.5
248.10181	0.7
256.03317	0.5
265.10791	2.4
267.19781	0.3
268.20135	0.5
271.02451	0.3
272.02924	0.9
277.10965	0.5
284.03217	0.3
285.04153	1.0
289.10922	0.4
296.02869	0.3
300.02789	0.9
301.03156	2.0
302.03903	1.5
303.04764	0.5
385.15060	17.7
386.15402	2.3
421.05743	0.3
447.27069	0.8
448.09717	2.4
448.27484	1.6
449.04892	0.5
449.10406	0.5
449.26300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
59.71465	0.1
60.99317	0.2
61.98833	100.0
62.98542	0.2
64.12522	0.1
67.01893	0.4
67.96703	0.1
69.03462	0.1
69.84943	0.5
69.85358	0.2
71.01393	0.2
74.26202	0.1
87.00897	0.5
89.02464	0.1
93.03471	2.5
104.92587	0.1
111.04545	0.4
121.02953	0.2
133.02957	0.1
134.03793	0.5
135.04552	1.3
139.04013	0.8
150.03252	0.1
150.11691	0.1
151.00420	0.4
151.04027	0.2
152.01065	0.1
155.03532	0.1
161.02490	0.1
162.03271	0.2
173.04587	1.6
179.03540	0.3
179.10817	0.9
180.10948	0.1
191.05641	0.8
223.09766	6.2
224.10117	0.5
243.06815	0.2
245.97911	0.1
272.02826	0.2
275.09235	0.2
300.02554	0.2
301.03189	0.5
302.03845	0.2
308.09149	0.4
352.08115	0.5
385.15033	1.3
386.15405	0.3
438.12268	0.1
448.09488	0.5
449.14679	1.6
449.26794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.1
59.01381	0.6
61.98831	100.0
67.01893	0.2
69.03447	0.2
71.01408	0.2
74.83131	0.1
78.72297	0.1
83.01387	0.2
83.05009	0.2
85.02966	0.6
87.00897	0.5
87.34164	0.1
89.02480	0.2
93.03474	1.5
95.05014	0.2
97.06584	0.1
97.90261	0.1
98.19876	0.4
98.95564	0.1
105.03506	0.3
107.01383	0.2
109.03001	0.3
109.22600	0.1
111.04539	0.6
117.03535	0.2
121.02992	0.2
123.80032	0.1
125.02467	0.5
127.04006	0.2
129.78345	0.1
130.07698	0.1
133.02960	1.6
134.03761	2.7
135.04546	0.9
136.67590	0.1
137.02473	0.9
139.04065	0.3
146.03735	0.2
148.05333	0.3
151.00365	0.9
151.04022	0.2
155.03500	0.3
162.03255	0.8
164.01038	0.1
165.01970	0.2
167.03516	0.3
173.04596	1.2
173.05911	0.2
175.07753	0.2
177.01944	0.9
178.02769	0.5
178.99886	0.3
187.07697	0.3
191.05623	5.5
191.07339	0.3
203.10843	0.6
206.81474	0.1
212.42294	0.1
229.08731	0.4
231.10263	2.2
232.90784	0.1
243.03032	0.2
244.03401	0.2
255.02971	0.3
256.03400	0.5
257.08215	0.9
271.02585	0.3
272.02850	0.7
275.09247	7.1
285.03992	0.3
286.04517	0.2
300.02759	0.5
301.03198	2.1
302.03882	1.1
303.04800	0.2
359.20828	0.3
367.11899	0.3
385.13089	0.5
389.21851	0.2
448.09781	1.8
449.09848	0.3
449.14844	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	448.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65003	0.2
52.76773	0.2
59.01373	0.8
59.64089	0.1
61.98833	100.0
67.01896	0.4
68.26553	0.2
70.19556	0.9
70.75223	0.2
71.01398	0.5
81.03480	0.3
83.05064	0.2
85.02956	2.3
87.00882	1.0
87.39304	0.1
88.64872	0.2
93.03471	4.0
95.05066	0.2
101.02515	0.2
101.87650	0.2
102.39090	0.2
102.86029	0.2
105.03474	0.7
107.01408	0.2
109.02968	0.6
111.04527	1.2
121.02964	0.3
123.04516	0.5
125.02460	0.7
127.04066	0.5
133.02975	2.8
134.03764	5.0
135.04550	1.4
137.02466	1.0
143.03458	0.2
146.03709	0.2
149.02380	0.2
150.03215	0.2
151.00423	0.9
151.03983	0.3
155.03503	0.5
160.01743	0.3
161.02472	0.7
162.03271	1.9
163.04102	0.2
164.01109	0.2
165.01881	0.3
167.03548	0.4
171.04506	0.2
172.05356	0.2
173.04587	3.3
175.04073	0.2
175.07716	0.2
177.01955	2.1
178.02722	1.0
178.99985	0.3
187.07640	0.4
191.05629	24.4
199.04068	0.3
200.04813	0.2
201.01903	0.2
201.09261	0.2
203.03580	0.2
213.09146	0.2
217.01552	0.2
217.08678	0.2
227.03398	0.3
229.08684	1.1
231.10269	3.8
243.02905	0.3
253.04912	0.2
255.02934	0.9
256.03720	0.8
257.08185	4.1
269.04639	0.2
271.02570	0.4
272.02875	0.9
275.09244	12.5
281.04553	0.5
285.04007	0.8
286.04343	0.7
297.04059	0.5
300.02774	0.5
301.03168	1.7
302.03848	1.3
303.04150	0.4
311.05865	0.2
332.68747	0.2
339.05005	0.4
367.11896	0.3
385.12927	0.4
407.07742	1.5
431.07779	0.2
431.13260	0.2
448.09637	1.9
449.08746	3.0
449.14548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
59.01380	0.3
69.81503	1.7
71.05019	1.2
73.02981	0.3
77.90478	0.3
85.02960	0.4
87.04534	0.2
97.02951	0.3
101.06080	0.3
107.05026	0.6
111.04522	2.4
113.06146	0.3
114.05965	0.3
123.04516	1.0
123.08207	0.4
125.02412	0.3
139.04080	0.4
150.03140	0.3
151.04022	6.5
151.07607	0.2
165.05649	0.3
165.09219	0.3
165.12860	0.5
177.01941	1.0
177.09155	0.5
179.03546	0.5
180.04321	0.7
181.12419	0.4
191.10857	0.4
193.08698	1.9
195.13907	0.5
203.07137	3.8
204.07567	0.4
207.06648	0.7
208.07410	1.7
209.08258	1.4
209.11783	1.1
210.08525	0.3
211.16855	0.3
221.08194	100.0
222.08711	11.5
223.09259	0.6
233.08208	0.5
235.09709	2.0
236.10025	0.4
245.05931	0.3
253.10863	1.5
275.13004	0.4
289.21585	0.4
293.10681	0.4
293.13956	7.3
294.14261	0.6
301.03595	0.4
301.14453	0.8
308.15692	0.3
319.15509	6.5
320.15988	0.8
321.17227	1.3
321.20444	0.4
335.18420	0.3
361.20361	0.3
363.21738	1.0
378.20523	7.0
379.20883	1.0
447.27524	68.1
448.27866	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	447.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22422	0.3
57.03456	0.9
59.01378	0.9
67.15913	0.3
71.05026	0.4
71.71682	0.6
79.01896	0.4
79.18536	0.4
85.06588	0.9
87.04541	0.4
91.78907	0.3
111.04541	3.6
111.08151	0.8
123.04572	0.9
123.08195	0.5
148.06038	0.5
151.04024	6.1
165.05576	0.5
165.09137	0.5
177.01904	1.3
177.09302	0.5
180.04272	1.0
193.05154	0.5
193.08733	1.5
203.07166	3.2
207.06635	4.3
208.07407	3.8
209.08235	2.8
209.09946	0.4
210.08537	0.4
221.08194	91.0
222.08670	10.0
223.08939	0.5
233.08141	0.7
235.09789	4.3
235.17059	0.7
236.10115	0.6
249.11388	0.4
261.18646	0.5
277.10724	0.6
279.23300	0.7
287.20169	0.7
301.14523	1.0
308.16458	0.7
319.15463	8.1
320.15964	1.3
321.17145	1.9
335.18207	0.4
361.20172	0.6
377.19543	1.2
378.20319	7.0
379.20892	0.7
405.17215	0.4
447.27423	100.0
448.27826	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	447.2757
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03448	1.8
59.01360	0.5
60.18119	0.3
70.24290	1.2
71.04994	1.2
76.22733	0.4
85.06568	0.9
87.04497	0.4
97.02940	1.3
97.06603	3.6
98.19907	0.6
100.52771	0.4
107.05048	0.4
109.06607	0.3
111.04535	3.7
112.04849	0.5
114.69965	0.3
116.25215	0.3
121.06583	0.6
123.04509	1.4
123.08165	2.7
135.08189	0.8
147.77428	0.3
149.09729	0.3
151.04037	5.1
151.07617	0.9
152.41077	0.3
153.09248	0.4
154.48367	0.3
165.05560	0.8
165.09189	0.5
166.02701	0.8
177.01985	0.8
177.09250	1.0
179.03621	0.4
179.07237	0.5
180.04274	0.9
188.10316	0.3
189.09258	0.5
191.10814	1.6
193.08685	1.7
203.07133	3.1
207.06674	2.8
208.05545	0.6
208.07426	7.5
209.08202	4.8
217.08777	0.6
221.08205	84.3
222.08771	10.3
223.09380	0.4
233.08224	1.4
233.15552	0.6
235.09756	16.9
235.16714	0.5
236.10152	1.2
249.11328	0.9
254.07854	0.4
263.12888	1.8
265.10709	1.0
273.18628	0.3
277.14594	0.5
279.19736	0.5
291.16122	0.5
293.13995	0.9
301.14478	3.3
302.15027	0.6
308.16330	1.3
319.15521	16.0
320.15912	1.6
321.17093	13.8
322.17529	1.2
329.21338	0.7
335.14920	0.6
335.18463	1.8
345.17297	0.6
345.92093	0.4
347.18692	0.4
360.19647	0.6
361.20309	0.9
363.18103	0.7
371.22528	0.7
377.19510	0.5
378.20493	14.1
379.20917	1.7
415.21301	9.9
415.39774	0.3
416.21631	1.8
428.96811	0.4
447.27637	100.0
448.28036	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	447.2754
Annotation	Xenortide B
Peak:m/z	Relative Intensity
52.33938	2.7
54.37617	2.3
61.98819	5.0
70.24740	9.4
94.74309	2.2
96.15560	2.5
101.61607	2.2
104.12906	2.4
108.88358	2.5
137.06255	2.8
151.04037	5.2
166.94133	2.6
183.45285	2.3
185.15858	2.5
207.06480	2.7
208.07431	4.2
209.08263	4.9
221.08200	97.1
222.08772	12.3
235.09793	7.1
266.50803	2.5
300.02713	2.6
301.03467	5.5
319.15503	8.6
340.30008	2.9
368.14929	2.9
378.20624	4.0
447.09460	5.2
447.27484	100.0
447.72903	2.6
448.27835	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2754
Annotation	Xenortide B
Peak:m/z	Relative Intensity
55.01875	0.4
57.03449	3.1
59.01380	4.1
61.98831	3.9
68.99807	0.4
69.03455	0.8
70.92005	0.8
71.01389	0.4
71.05034	1.6
72.09633	0.3
80.76729	0.3
81.03468	0.6
83.05048	1.1
85.06610	1.4
87.04529	1.9
88.28360	0.3
93.03496	0.3
95.05060	0.9
97.06612	1.2
99.08164	5.4
101.06107	1.4
107.01402	1.0
108.02207	0.5
109.02967	0.8
109.06629	0.5
111.04527	2.6
111.08231	0.5
113.06134	1.2
121.02990	0.9
121.06631	1.2
123.04532	1.1
125.02482	0.6
125.06110	1.8
125.09756	2.7
135.08252	0.5
136.05347	0.5
137.06136	1.0
137.09741	5.1
139.07646	0.4
141.09161	0.5
148.01675	0.4
149.61089	0.4
151.00395	4.2
151.04080	0.8
151.07698	0.9
153.09283	1.0
163.00424	1.2
163.11327	1.0
165.09233	0.8
177.09222	0.4
178.99918	1.9
179.07237	0.6
181.08801	0.6
181.12315	1.9
189.12936	0.4
193.08755	0.8
193.12408	0.5
195.06467	0.4
207.13905	2.4
208.14270	0.4
211.03973	0.5
211.13423	0.9
215.68604	0.4
217.12300	1.9
221.08183	7.8
221.11768	0.6
221.15468	1.9
222.08855	0.8
227.03592	0.9
235.13557	0.6
237.11438	0.7
239.03438	0.4
239.16524	0.7
243.00790	0.5
243.02968	2.4
245.04567	0.8
249.11305	0.6
254.02269	0.5
255.02960	6.6
256.03510	0.4
271.02472	11.8
272.02982	1.3
275.16711	0.6
277.17953	0.5
283.02509	0.7
285.04153	0.6
293.17569	2.5
295.19388	0.9
300.02768	19.7
301.03500	17.2
302.04050	1.1
305.17621	1.1
317.17621	0.6
322.14160	0.5
333.24084	0.5
335.22449	0.9
359.22458	0.5
361.20224	0.5
363.21924	1.0
377.19415	0.7
377.23581	0.8
378.16779	1.0
387.20886	0.5
387.25729	1.0
429.26648	0.6
447.09497	18.8
447.27695	100.0
448.09814	3.7
448.28085	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	447.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68168	0.3
79.01901	0.3
79.12654	0.3
83.75566	0.3
85.06604	1.4
88.68711	0.4
92.04047	0.3
109.03024	0.3
109.06573	0.4
111.04533	4.3
118.12360	0.3
121.06620	0.8
123.04543	1.5
123.08196	1.1
135.08154	0.5
137.09738	1.2
139.04039	0.9
149.02458	0.4
151.04021	3.8
165.01987	0.6
165.05563	2.7
165.09238	1.7
166.02693	0.9
167.03485	0.8
177.01910	0.6
177.09236	0.6
179.03493	0.6
180.04364	0.6
187.14182	0.3
189.09247	0.9
191.07159	0.4
191.10791	2.9
191.14427	0.7
193.05119	0.6
193.08812	0.7
200.14902	0.3
203.07162	1.6
207.06641	6.3
208.07391	4.3
209.08199	24.4
210.08572	1.2
217.08691	1.2
221.08200	41.3
222.08691	4.7
235.09755	34.9
236.10161	2.5
247.09915	0.6
255.09346	0.3
261.11353	1.3
261.18539	2.1
265.10852	0.7
279.12296	0.5
307.15509	2.5
308.16275	5.8
309.16641	0.6
317.14029	0.6
335.14978	0.8
335.18616	0.7
345.17166	0.8
361.20233	0.6
377.19739	0.7
378.20459	1.7
447.27524	100.0
448.27856	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.275
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03446	1.0
65.69402	0.1
69.72202	0.8
69.72624	0.3
73.57861	0.1
79.01910	0.2
85.06598	0.2
97.06608	0.1
98.19869	0.3
100.23547	0.1
106.67125	0.2
107.05038	0.2
109.75214	0.1
111.04534	1.9
111.08168	0.3
121.06626	0.1
123.04557	0.4
123.08181	0.5
138.03188	0.2
142.95326	0.2
151.04019	2.6
151.07646	0.3
163.11211	0.2
165.05544	0.6
165.09283	0.3
177.01918	0.3
177.09262	0.4
179.03511	0.2
179.10776	0.2
180.04253	0.5
191.10808	0.7
193.05153	0.2
193.08716	0.6
203.07170	1.2
207.06639	3.1
207.10435	0.3
208.07402	2.6
209.08195	1.7
211.13304	0.2
217.08772	0.3
221.08191	37.6
222.08829	4.0
223.09261	0.2
233.15346	0.2
235.09749	7.7
235.16920	0.7
236.10124	0.3
247.17093	0.2
249.11252	0.4
251.12540	0.2
254.08009	0.2
263.12842	0.6
275.16547	0.2
277.14447	0.4
301.14523	1.3
302.15186	0.2
308.16193	0.6
319.15503	7.7
320.15939	0.8
321.17081	5.0
322.17319	0.4
335.18692	0.8
345.17062	0.3
360.19589	0.3
361.20184	0.3
377.19644	0.5
378.20480	4.6
379.20810	0.5
403.28589	0.4
412.57193	0.2
435.35168	0.1
447.27496	100.0
448.27844	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2752
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03438	0.4
69.66741	0.1
69.67110	0.8
79.01897	0.4
85.06609	0.2
98.20604	0.2
107.05027	0.3
111.04534	2.3
123.00954	0.1
123.04517	0.9
123.08138	0.3
139.04036	0.1
141.21915	0.1
150.03308	0.1
151.04021	4.2
151.05247	0.2
152.04465	0.1
163.07547	0.2
165.09198	0.3
165.12758	0.1
166.02689	0.3
177.01993	0.6
177.09248	0.6
179.03502	0.5
180.04247	0.5
191.10811	0.2
193.08722	1.1
203.07130	1.9
204.07462	0.2
207.06636	2.9
208.07408	1.1
209.08212	1.1
209.15422	0.1
218.13802	0.1
221.08194	53.3
222.08821	4.5
223.09450	0.1
233.08073	0.2
235.09773	1.3
235.13519	0.1
235.17017	0.4
249.11226	0.2
280.66919	0.1
287.20212	0.2
301.14417	0.3
307.15466	0.1
308.16125	0.1
319.15509	3.4
320.16095	0.2
321.13675	0.1
321.16907	0.6
335.15076	0.3
361.20175	0.3
363.18118	0.3
377.19571	0.4
377.23785	0.1
378.20441	2.2
379.20972	0.2
403.28546	0.2
447.27509	100.0
448.27835	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2751
Annotation	Xenortide B
Peak:m/z	Relative Intensity
56.46903	0.4
60.75081	0.5
66.47497	0.3
71.05238	0.9
71.05598	0.4
76.22701	0.4
85.06612	0.5
88.28648	0.4
95.02771	0.4
107.06779	0.4
111.04527	2.1
123.04516	0.4
123.08185	0.7
128.75522	0.5
133.45564	0.4
151.03990	4.0
161.47835	0.4
165.01967	0.5
165.05573	0.8
166.02731	1.4
177.09277	0.5
179.03459	0.8
191.10742	0.6
193.04993	0.6
193.08687	1.0
203.07101	2.1
207.06662	4.5
208.07414	9.2
209.08182	11.0
210.08578	0.6
217.08847	0.6
221.08195	67.4
222.08609	5.6
233.08188	0.6
235.09775	10.9
236.10490	0.9
261.18521	0.4
279.12500	1.3
280.13156	2.2
289.14465	0.4
305.14157	0.6
307.15518	1.2
308.16324	1.4
317.13922	1.5
335.14923	1.0
361.20242	1.1
377.19534	0.4
378.20425	7.2
379.20972	1.2
447.27518	100.0
448.27875	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	447.275
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03442	1.0
60.36540	0.3
70.75097	1.5
76.37661	0.4
76.98855	0.5
79.01891	0.4
98.10129	0.4
106.32400	0.3
107.05025	0.4
109.02956	0.4
111.04530	4.5
111.08164	0.5
123.04561	1.4
123.08153	0.8
149.02483	0.4
151.04021	9.7
165.01906	0.5
165.05573	0.5
165.09206	0.7
166.02722	0.9
177.01947	1.4
177.09244	1.1
180.04243	1.0
191.10751	0.7
191.14677	0.4
193.05042	0.9
193.08745	2.2
203.07152	4.6
207.06651	4.6
208.07347	2.6
209.08179	3.8
221.08202	97.4
222.08635	8.5
233.08195	1.2
235.09747	3.4
235.17010	0.5
249.11159	0.6
265.83380	0.4
277.14395	0.4
287.20142	0.4
301.14526	1.1
319.15540	9.1
320.15875	1.3
321.17133	1.3
322.28085	0.4
363.18436	0.4
377.19608	0.5
378.20593	2.8
429.26550	0.7
447.27515	100.0
448.27878	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	447.2745
Annotation	Xenortide B
Peak:m/z	Relative Intensity
57.03435	1.0
58.47078	0.6
59.01370	2.4
61.98831	1.2
69.76204	4.1
85.06581	1.0
92.86922	0.6
96.29164	0.7
98.20647	1.3
111.04520	3.9
123.08191	0.9
151.04025	5.0
152.04422	0.8
165.09177	0.9
166.49210	0.6
177.01958	0.9
177.09166	0.9
191.10835	0.8
193.08720	1.8
203.07179	1.9
207.06595	4.4
208.07462	3.0
209.08205	3.2
221.08209	78.7
222.08763	11.6
223.09218	0.7
235.09784	5.7
236.10110	3.7
237.10254	4.5
238.10602	5.9
239.10771	2.8
245.79517	0.7
267.14905	0.9
301.14389	0.8
308.16177	1.0
319.15530	8.3
321.17154	2.4
378.20407	5.5
403.28076	0.8
403.90457	0.7
429.25909	0.8
447.27560	100.0
448.27881	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	447.2389
Annotation	Ugaferin
Peak:m/z	Relative Intensity
55.87207	0.3
57.03443	3.1
59.01387	1.4
60.19007	0.3
61.98843	0.6
62.96419	1.1
68.99833	0.5
69.03465	0.6
70.60851	0.8
70.61245	0.8
71.01383	2.4
71.05050	0.5
75.00059	0.3
76.51756	0.3
78.95910	35.8
79.05563	0.4
81.03474	2.0
83.05045	0.7
85.06603	2.8
87.04523	2.3
89.02491	0.4
95.01413	0.7
95.05039	5.1
96.02213	0.3
96.96971	2.5
97.02981	0.8
97.06632	0.7
98.20580	0.3
101.06120	0.4
105.07120	0.7
107.05035	0.8
108.02216	1.3
109.02999	2.0
109.06634	1.1
111.04536	7.2
111.08173	2.0
113.06090	0.5
121.03006	0.5
121.06630	1.3
122.03789	1.2
123.00911	1.1
123.04530	2.2
123.08164	2.8
124.05360	0.5
125.02469	0.5
125.06116	1.1
127.04062	0.8
127.07699	0.5
129.05627	0.9
133.06639	0.8
135.04585	1.0
135.08185	0.6
136.05330	0.5
137.02480	0.6
137.06129	2.1
137.09810	0.5
138.03279	0.5
139.04041	0.4
139.07661	3.0
141.05624	0.7
147.04547	0.4
147.08211	0.5
149.00113	19.0
149.02527	0.6
149.06076	0.7
149.09787	0.9
150.00500	0.6
150.03293	0.7
150.06868	0.4
151.00415	1.1
151.04044	1.2
151.07666	4.6
158.92529	1.6
161.06190	0.9
163.04073	0.6
163.07721	0.8
163.11348	0.4
164.04883	0.4
165.05580	5.4
165.09258	1.0
166.06410	0.5
167.07150	0.5
169.05070	0.5
175.07770	0.4
175.11287	0.4
176.04968	0.3
176.08452	0.8
177.01982	1.2
177.05670	1.2
177.09200	0.5
178.06369	1.1
179.01176	2.2
179.07164	0.5
181.05142	1.1
183.06732	1.0
190.09909	0.7
191.03503	2.2
191.07220	1.8
191.10789	0.8
192.08009	3.0
193.08727	1.1
193.12360	3.1
194.05873	0.8
195.06651	3.8
203.10828	0.3
203.14449	0.5
205.05153	0.7
205.16037	1.4
208.07468	0.4
211.13422	1.1
217.08737	0.3
219.06638	0.4
220.07458	1.2
221.08206	1.6
227.14479	0.4
229.12547	0.3
233.08377	0.4
234.09050	0.4
235.09741	1.5
243.03040	0.5
243.14029	0.3
245.08234	0.7
245.15562	0.7
247.13499	0.9
248.09125	0.4
253.10826	3.6
254.11241	0.5
255.03062	1.1
259.13260	0.4
261.07721	0.4
261.14978	0.4
263.12863	0.6
267.11685	0.5
271.02432	1.7
273.18735	0.8
275.12964	0.4
275.16440	0.5
276.12518	1.1
277.14526	1.4
289.18188	1.0
290.11334	0.4
290.15189	0.6
297.18698	0.5
299.16605	1.0
300.02719	3.6
301.03537	2.5
313.18243	0.4
315.16251	0.5
315.19586	3.6
316.16800	0.5
316.20090	0.4
317.17599	9.0
318.18015	1.5
319.15817	0.6
319.19138	2.4
327.16199	0.4
331.19147	7.3
332.19629	1.0
333.17014	2.6
333.20572	0.4
334.17651	0.6
334.86963	0.3
335.18619	5.6
336.19211	0.8
341.17700	1.0
343.15634	0.4
345.17072	0.4
345.20889	0.8
347.08472	0.6
359.18649	21.1
360.19019	3.2
361.16425	2.0
371.18686	0.8
385.23898	0.7
389.98346	0.4
403.22107	0.8
417.12479	1.0
419.24478	0.4
429.22775	6.6
430.23181	1.5
431.10349	2.2
432.10718	0.5
447.13620	96.4
447.23651	100.0
448.14005	15.1
448.23975	18.0
464.10370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08590	0.4
53.65265	0.4
57.06315	0.4
59.01379	100.0
60.01717	1.8
61.98832	12.3
62.40662	0.4
68.54572	0.4
69.60918	3.0
69.61322	0.9
71.01389	6.3
72.99321	1.0
73.02956	1.0
75.00889	0.7
85.02973	1.5
88.98802	0.5
89.02450	8.3
95.01419	0.9
101.02453	4.8
113.02459	3.0
119.03524	3.9
131.03496	0.5
143.03481	1.1
147.81557	0.4
157.50867	0.5
159.02928	0.5
161.04608	3.9
179.05634	3.2
189.12903	1.6
191.05603	0.5
207.14069	0.5
225.11220	1.9
239.13213	0.5
256.16220	0.4
285.13315	0.6
301.03741	0.5
369.19363	1.7
387.16504	0.4
387.20453	4.1
388.20911	0.5
407.59445	0.4
447.08191	0.8
447.17441	0.6
447.22537	1.5
448.23416	0.5
473.55566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03447	3.6
57.87458	0.2
59.01378	2.9
61.98816	1.0
62.96401	1.2
65.49804	0.2
66.32915	0.2
68.99816	0.6
69.03458	0.6
71.01381	2.4
71.05029	0.5
71.43278	0.3
71.43600	0.4
72.57838	0.3
73.14066	0.3
78.95908	35.5
79.05540	0.5
80.02676	0.6
81.03460	2.0
83.01373	0.6
83.04986	0.5
85.02958	0.5
85.06593	3.8
87.04517	3.0
93.03472	0.5
95.01411	1.2
95.05037	5.2
96.02164	0.4
96.96970	2.2
97.02962	0.5
97.06615	0.9
98.03769	0.3
99.08204	0.3
105.07134	0.7
107.01432	0.6
107.05038	0.9
108.02202	1.1
109.02969	2.1
109.06599	1.3
111.00982	0.3
111.04536	10.3
111.05306	0.5
111.08176	2.0
113.06097	0.8
113.41416	0.2
119.05138	0.3
119.08640	0.3
121.02987	1.0
121.06609	2.0
122.03746	1.6
123.00896	1.0
123.04555	1.7
123.08178	2.6
124.05334	0.6
125.02516	0.9
125.06120	0.9
125.09760	0.7
127.04034	0.8
127.07690	0.4
129.05551	1.5
133.06586	0.5
135.00920	0.4
135.04533	1.1
135.08215	0.8
136.05360	0.4
137.02477	1.0
137.06107	2.4
137.09743	0.9
138.03262	0.2
139.07671	3.0
141.05595	0.6
141.09322	0.3
147.04570	0.5
147.08127	0.6
149.00110	16.7
149.02501	1.0
149.06139	1.0
149.09764	0.9
150.00537	0.3
150.03258	0.7
150.06860	0.5
151.00435	1.5
151.04042	1.5
151.07680	4.9
151.11337	0.3
152.99594	0.3
153.05650	0.4
158.92577	1.4
161.06163	0.8
163.00375	0.5
163.04077	1.0
163.07669	1.4
163.11270	0.3
164.08572	0.3
165.05588	6.1
165.09242	1.8
166.06161	0.6
167.03555	0.4
167.07169	0.8
169.05171	0.4
173.09793	0.3
175.07683	0.4
175.11296	0.6
176.08493	1.0
177.01936	1.3
177.05630	1.5
177.09232	0.7
178.06367	1.0
178.09753	0.3
178.99911	0.5
179.01221	2.2
179.07184	0.8
180.04358	0.4
181.05112	1.2
183.06697	1.0
187.11357	0.4
189.09276	0.4
190.10052	1.0
191.03496	2.3
191.05554	0.3
191.07130	2.1
191.10851	1.2
191.14383	0.3
192.07961	3.5
193.08685	1.3
193.12343	3.7
194.05846	0.6
195.06627	5.6
198.05345	0.3
200.13425	0.3
201.09189	0.3
201.12857	0.4
203.07150	0.5
203.14459	0.9
205.05121	0.7
205.08771	0.3
205.16011	1.5
206.05798	0.3
207.06639	0.5
207.10278	0.4
208.07411	0.6
209.11905	0.5
211.13425	1.4
216.07976	0.4
217.05110	0.4
217.08823	0.4
219.06630	0.6
220.07358	1.6
221.08202	3.9
222.08806	0.7
225.11258	0.3
227.03593	0.3
229.12399	0.4
230.13312	0.3
231.10371	0.3
233.08224	0.5
234.09036	0.5
235.09782	1.8
236.06923	0.5
237.07619	0.3
239.03810	0.3
240.96631	0.4
243.02960	0.9
245.08165	0.6
245.15540	0.7
246.12595	0.4
247.06244	0.3
247.13426	0.6
249.11290	0.5
252.06337	0.3
253.10814	4.9
253.13225	0.3
254.11276	0.5
255.03046	2.1
256.03604	0.3
257.15393	0.5
261.07492	0.3
261.15018	0.5
263.12851	0.5
267.11682	0.4
267.19507	0.3
271.02499	4.3
271.13394	0.3
272.03101	0.5
273.15359	0.3
273.18588	0.4
275.12961	0.3
277.14557	1.1
285.04181	0.4
287.12836	0.4
289.14554	0.7
289.18173	1.2
290.15384	0.6
290.18655	0.3
293.17603	0.6
295.02591	0.5
297.18719	0.4
299.16742	0.6
300.02765	7.1
301.03494	6.3
301.06741	0.4
301.14542	0.5
302.03949	0.7
315.16156	0.5
315.19592	4.2
316.13275	0.4
316.16818	0.7
316.20154	0.4
317.14020	0.3
317.17578	10.3
318.17923	1.6
319.15543	0.7
319.19312	2.6
320.19745	0.4
331.19141	7.8
331.22818	0.5
332.19571	0.9
333.17099	4.3
333.20828	0.3
334.17615	0.6
335.18600	6.7
335.22464	0.3
336.18954	0.6
341.17838	0.9
343.15619	0.8
345.20660	0.6
347.08328	0.6
349.16675	0.4
359.18637	21.7
360.19073	3.5
361.16458	2.2
361.20016	0.4
371.18771	0.9
385.23874	0.4
387.19937	0.3
403.25131	0.6
417.12732	0.8
429.22845	7.5
430.23029	1.3
431.10364	2.7
447.13715	93.8
447.23529	100.0
448.09280	0.4
448.14084	13.8
448.23920	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24968	0.2
50.99308	0.2
53.53510	0.2
59.01380	100.0
60.01712	1.4
61.98832	2.4
69.88429	1.5
71.01389	4.0
72.99303	0.2
73.02955	1.2
73.80745	0.2
83.01408	0.2
85.02965	1.6
89.02448	2.3
95.01414	0.3
99.00909	0.3
101.02448	2.8
112.17175	0.2
113.02457	1.7
119.03537	1.0
123.08187	1.3
136.98027	0.2
137.09718	0.2
143.03564	0.7
159.03091	0.3
161.04579	3.7
163.11285	1.9
179.05602	1.3
189.12866	1.9
191.05687	0.4
207.13933	3.8
208.14366	0.4
225.15025	1.4
387.20282	3.5
388.20633	0.5
431.19351	0.3
447.07327	0.7
447.17218	0.2
447.22391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
58.00595	1.2
59.01381	27.8
60.99294	2.7
64.42144	0.9
69.03454	2.9
69.74464	2.5
69.74882	2.6
71.01392	5.2
71.05019	2.2
72.99313	22.3
75.00880	45.0
83.05032	2.7
85.02960	1.4
87.04552	3.7
88.98816	21.2
89.02457	5.2
95.01381	0.7
97.06644	1.0
98.20602	1.5
101.02471	1.6
103.14768	0.7
107.01411	0.7
107.05040	0.8
109.06590	2.8
113.02421	1.4
119.03525	1.6
121.06578	1.5
151.00365	2.6
165.12804	4.8
179.14409	1.9
183.04558	1.0
187.04044	1.2
191.05620	1.2
195.13875	1.3
207.79895	0.8
209.11858	6.4
211.04005	1.7
223.13284	4.5
227.03506	39.9
228.03862	3.2
229.05049	1.3
239.03528	0.8
239.12878	1.8
241.14471	4.5
242.02055	1.0
255.02975	51.5
256.03546	8.1
257.04480	1.6
267.12360	37.4
268.12646	2.8
284.03275	35.6
284.05844	0.7
285.04019	14.0
285.13428	100.0
286.13812	8.1
286.23969	0.8
327.14520	3.6
368.16180	0.8
387.16641	1.4
419.10083	0.8
447.09293	67.0
447.18744	28.6
448.09766	9.4
448.18979	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	447.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
58.00595	1.2
59.01381	27.8
60.99294	2.7
64.42144	0.9
69.03454	2.9
69.74464	2.5
69.74882	2.6
71.01392	5.2
71.05019	2.2
72.99313	22.3
75.00880	45.0
83.05032	2.7
85.02960	1.4
87.04552	3.7
88.98816	21.2
89.02457	5.2
95.01381	0.7
97.06644	1.0
98.20602	1.5
101.02471	1.6
103.14768	0.7
107.01411	0.7
107.05040	0.8
109.06590	2.8
113.02421	1.4
119.03525	1.6
121.06578	1.5
151.00365	2.6
165.12804	4.8
179.14409	1.9
183.04558	1.0
187.04044	1.2
191.05620	1.2
195.13875	1.3
207.79895	0.8
209.11858	6.4
211.04005	1.7
223.13284	4.5
227.03506	39.9
228.03862	3.2
229.05049	1.3
239.03528	0.8
239.12878	1.8
241.14471	4.5
242.02055	1.0
255.02975	51.5
256.03546	8.1
257.04480	1.6
267.12360	37.4
268.12646	2.8
284.03275	35.6
284.05844	0.7
285.04019	14.0
285.13428	100.0
286.13812	8.1
286.23969	0.8
327.14520	3.6
368.16180	0.8
387.16641	1.4
419.10083	0.8
447.09293	67.0
447.18744	28.6
448.09766	9.4
448.18979	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	447.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.98827	0.7
71.01420	0.4
71.71485	0.6
72.00926	0.4
72.99314	5.0
75.00865	2.9
85.02971	0.5
87.00896	1.2
89.02443	0.4
104.03542	3.9
105.01952	100.0
106.02287	1.6
110.98565	0.4
111.04158	0.4
128.91835	0.4
147.67401	0.3
148.94957	0.3
149.04645	0.4
168.75623	0.4
191.05699	0.6
221.08257	0.5
273.04468	0.6
342.11160	0.6
387.08051	1.0
447.27298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Siebolside A
Peak:m/z	Relative Intensity
52.55367	0.1
56.67285	0.2
59.01383	2.2
61.98833	2.1
63.02398	0.3
65.00330	0.9
65.03962	0.2
70.68884	0.6
71.01385	0.2
73.02941	0.2
76.84798	0.2
80.02683	0.7
81.03460	0.2
83.01400	0.4
89.02419	0.2
91.01904	14.0
92.02246	0.6
93.03465	0.3
95.01406	1.0
107.01408	0.6
107.05048	0.5
108.02190	17.7
109.03002	4.3
111.04561	0.3
115.29946	0.2
121.02962	1.1
123.00902	5.4
124.01653	0.6
125.02465	0.2
135.00903	14.3
136.01228	0.7
137.02478	3.4
138.02931	0.2
148.01738	0.2
148.45354	0.2
149.02454	0.3
151.00380	1.9
152.01173	17.6
153.01477	0.8
153.77557	0.2
163.00388	0.4
167.03629	0.3
168.04271	0.3
169.06633	0.3
178.99876	0.8
181.05087	0.2
191.05450	0.2
197.06120	1.3
198.06433	0.3
199.07671	0.4
211.04143	0.2
211.13419	0.7
213.05531	1.2
215.07164	1.1
221.08243	1.6
222.08766	0.2
225.05630	0.4
227.03500	0.4
241.05096	0.2
242.05771	0.2
243.06616	100.0
244.06961	8.0
245.04620	0.2
254.02139	0.2
255.02979	2.5
256.03482	0.3
271.02487	4.4
272.02945	0.7
273.03986	0.2
283.02780	0.4
284.03244	0.6
285.04062	0.3
300.02777	6.9
301.03488	6.1
302.03867	0.4
322.14240	3.0
323.14578	0.3
387.10767	0.8
391.21280	0.3
405.11804	0.3
446.26779	0.5
447.09122	4.7
447.13614	2.2
447.23801	2.5
447.28033	1.1
448.09418	0.8
448.24252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85666	0.4
58.99606	0.8
59.01386	4.6
61.72259	0.4
61.98839	2.6
71.01385	2.7
71.11069	0.4
74.99109	1.4
79.06114	0.4
85.02963	0.9
88.04077	0.4
88.98821	0.6
89.02460	2.2
93.03469	0.5
96.96049	0.9
98.19887	1.6
101.02479	1.3
102.98619	3.8
111.04517	0.6
112.04967	0.4
113.02459	0.6
117.02682	0.3
117.03485	7.5
119.03614	0.5
119.05041	7.3
120.05394	0.4
120.99674	100.0
121.99994	1.5
122.34751	0.4
132.03032	0.5
137.02467	0.4
145.02979	60.7
146.03323	2.9
151.03995	0.8
151.07645	0.5
159.04489	0.6
161.04669	0.7
161.06111	0.9
163.04010	6.3
170.08249	0.6
177.02025	0.5
179.05670	0.8
187.04063	2.5
191.05653	3.2
205.05034	1.2
206.39301	0.5
221.08209	4.1
222.08800	0.7
229.69130	0.5
265.07251	1.0
267.03177	0.5
273.07755	0.7
283.05017	3.0
285.04086	1.2
286.09442	0.6
319.15411	0.7
325.09299	34.2
326.09647	3.5
340.11133	0.4
357.11688	0.5
378.20535	0.6
399.86328	0.5
441.30478	0.4
446.26459	1.7
447.08450	1.4
447.27454	7.3
448.14655	0.6
448.27844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01380	10.3
60.01742	0.6
60.99305	13.6
61.98823	2.3
63.02385	0.9
64.98910	0.4
65.00343	0.7
70.97403	0.3
71.01385	2.0
71.05038	0.7
72.99308	4.9
75.00875	10.6
83.01390	0.7
83.05035	1.2
85.02950	0.4
87.04500	0.6
88.98814	100.0
89.02446	1.7
89.99123	2.0
95.05080	0.4
99.04535	0.5
101.02448	1.1
107.01390	1.0
109.06624	0.6
113.02489	0.8
119.03490	0.7
121.02975	0.5
125.02453	0.6
145.03021	0.7
151.00389	3.0
151.07674	0.5
156.54265	0.4
159.04536	0.6
161.04553	0.6
163.03944	0.6
165.12907	1.1
179.05811	0.5
179.14424	1.2
183.04523	1.1
187.04063	1.4
191.05626	2.6
195.06627	2.8
199.04117	0.5
201.05678	0.4
205.04962	0.6
209.11868	1.7
211.04033	1.5
215.03430	0.8
221.08218	0.8
223.13380	1.1
227.03520	13.2
228.03944	1.7
229.05096	0.8
229.08749	0.6
230.47887	0.5
237.07784	0.4
239.12962	0.6
241.14461	0.8
242.02193	1.0
243.02693	0.7
255.02974	18.4
256.03632	4.0
257.04544	1.3
267.02884	0.5
267.12302	7.2
271.02414	1.5
283.02493	1.0
284.03265	17.1
285.03973	8.6
285.13422	20.6
286.13742	2.6
296.03220	0.7
300.02786	3.4
301.03516	2.7
327.14438	0.9
387.16348	0.5
419.09808	1.1
420.10590	0.5
447.09351	35.8
447.18176	6.5
447.27432	0.8
448.09641	6.0
448.18619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.05934	0.2
61.98824	0.6
71.01384	1.0
71.70831	0.2
78.95908	0.4
79.66496	0.2
85.02949	0.6
87.00887	0.6
89.02451	0.4
93.03462	0.5
96.96021	0.8
101.02425	0.4
101.04269	0.3
102.98610	0.8
108.02167	1.2
109.02979	0.3
111.04522	0.5
112.36807	0.3
118.98130	0.3
119.05039	3.8
120.99672	100.0
122.00032	1.8
123.04556	0.9
125.02450	0.5
133.03030	0.3
133.93283	0.2
133.94424	0.3
139.03954	0.2
145.02960	0.8
146.51563	0.3
151.04063	0.4
152.01167	1.1
155.03488	0.2
163.04012	0.7
167.03525	3.1
168.03857	1.0
169.04027	1.0
181.05077	0.5
187.06195	0.4
191.05623	2.8
195.06537	0.4
197.02705	0.3
203.07240	0.3
221.08183	3.1
229.08780	0.5
255.93130	0.3
273.07684	1.4
283.04947	0.3
301.03278	0.3
325.09140	0.5
329.08975	0.2
339.32275	0.2
344.05972	0.2
359.08002	0.8
446.26294	0.7
447.09525	7.5
447.27408	4.3
448.10059	1.3
448.27695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.10392	0.3
53.89148	0.4
63.02399	1.0
65.00316	1.7
69.84594	2.3
75.72964	0.3
83.01410	0.8
98.20557	0.7
107.01405	3.2
108.02193	0.9
109.02973	2.3
119.01394	0.6
121.02973	2.8
134.26505	0.3
135.00897	0.8
148.01721	0.9
149.02480	0.5
151.00400	17.0
161.06119	0.4
163.00391	3.4
164.01103	0.5
169.01459	0.7
178.99875	10.2
180.00258	0.5
183.04506	0.6
187.04034	0.6
190.78177	0.4
190.99831	0.6
199.03922	0.9
201.05615	0.5
203.03500	0.5
211.03995	1.6
215.03537	0.5
226.02629	0.9
227.03471	3.0
229.05121	1.1
239.03659	0.5
243.02992	6.7
244.03299	0.4
245.04549	2.3
254.02258	1.6
255.02983	21.4
256.03372	2.2
271.02475	37.3
272.02869	4.2
273.03940	1.9
283.02475	2.5
284.03238	0.4
299.01999	0.9
300.02771	100.0
301.03510	87.5
301.07181	0.9
302.03882	7.3
348.00925	0.4
364.04257	0.4
447.09335	85.0
448.09665	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09258	0.2
59.01382	2.4
61.98832	12.8
62.00595	0.2
63.02401	0.8
65.00325	1.8
69.82643	0.6
69.83055	1.3
71.01375	0.6
72.99317	0.5
73.02930	0.3
83.01403	1.6
85.02962	0.5
101.02454	0.3
107.01403	4.5
108.02203	0.8
109.02319	0.3
109.02950	1.7
119.01428	0.3
121.02969	2.4
125.02488	0.5
133.02971	7.4
134.03278	0.5
135.00876	0.5
139.03905	0.3
148.01680	1.0
149.02472	2.1
151.00388	15.5
152.00775	0.6
152.13933	0.2
159.04558	0.4
163.00410	2.6
164.01129	0.4
167.67740	0.2
169.01418	0.7
171.04535	0.6
173.06032	0.4
175.02483	0.4
175.03999	2.9
176.04356	0.2
178.99884	5.2
182.03751	0.3
183.04599	0.3
183.74496	0.2
185.06029	0.4
187.04025	0.8
189.05551	0.3
190.99968	0.3
191.05623	1.3
192.00578	0.4
193.01288	0.3
197.06148	0.4
198.03177	0.5
199.04018	3.6
200.04503	0.4
201.01917	1.1
201.05588	0.5
201.09119	0.4
203.03452	0.4
211.04010	1.6
211.13405	0.3
213.05569	1.0
215.03482	1.1
216.04181	0.4
217.05034	2.1
223.03941	0.4
225.11269	0.4
226.02774	1.2
227.03534	2.4
228.03952	0.3
229.05136	1.4
229.08646	0.4
239.03384	0.5
239.12907	0.3
240.13292	0.4
241.05040	1.1
242.02205	0.4
243.02992	8.5
243.05513	0.5
244.03351	1.0
245.04532	1.6
254.02203	1.5
255.02975	17.1
256.03610	3.7
257.04526	0.7
267.02844	0.3
271.02469	33.8
272.02905	4.2
273.03870	0.9
283.02371	1.5
283.11829	0.5
284.03268	3.8
284.12216	0.5
285.04037	100.0
286.04395	10.2
299.01917	1.0
300.02756	54.6
301.03491	40.1
302.03833	3.9
303.04654	0.3
343.04456	0.3
387.20355	0.4
447.09314	75.2
448.09616	11.5
448.15860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2959
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
52.01344	0.3
69.67641	2.4
69.68047	1.0
71.72807	0.4
78.86293	0.4
79.01913	0.5
98.19860	0.5
107.05060	0.4
110.55930	0.4
123.04546	1.4
125.06087	3.0
125.09751	1.1
137.09711	0.6
151.04031	6.9
152.04488	0.6
165.02034	0.7
166.02695	3.4
169.87340	0.4
177.01981	0.8
177.09273	0.4
179.03526	1.8
180.04305	2.3
184.01373	0.4
191.10820	0.4
192.22774	0.4
205.80521	0.4
207.06761	0.5
207.10318	1.0
207.84506	0.4
217.08707	2.9
221.08179	4.4
222.08981	7.1
223.09541	1.2
235.09767	84.7
236.10219	13.5
237.10422	2.7
238.10938	0.4
247.09727	0.7
249.11298	2.0
249.18620	0.7
250.11870	0.5
299.76645	0.4
305.17538	0.6
319.15610	0.6
319.19128	1.6
320.19669	0.5
333.16965	1.0
361.20435	0.5
375.21722	0.7
376.22650	3.3
377.23273	0.5
401.30643	0.9
434.21664	0.4
445.29544	100.0
446.29929	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	447.0723
Annotation	XL147
Peak:m/z	Relative Intensity
55.44965	0.3
57.44641	0.3
59.01392	1.3
61.98826	1.7
63.31987	0.3
69.42226	3.1
71.01402	0.8
83.01421	0.3
85.02954	0.3
89.02473	0.4
95.05071	0.6
101.02459	0.7
109.02995	1.2
109.58334	0.3
121.03041	0.4
123.04551	3.7
132.10361	0.3
148.05348	0.7
150.03200	0.4
151.00389	0.9
151.04042	1.1
163.07674	0.4
167.05083	0.4
173.04347	0.3
178.99947	0.6
183.04543	0.8
183.13860	0.4
191.05711	0.3
195.04546	1.1
199.04079	0.8
209.02278	0.3
211.04005	3.1
211.13402	3.4
212.13774	0.3
213.05489	0.3
223.04016	3.5
224.04666	0.5
225.01842	0.3
227.03499	1.0
229.04959	0.3
237.02036	0.3
238.02669	0.3
239.03488	5.3
240.04097	1.3
243.02980	0.8
244.74005	0.3
250.02704	0.4
251.03485	2.4
252.00577	0.5
253.09329	0.5
254.02350	0.4
255.03009	1.7
257.04459	0.6
265.01453	0.5
266.02109	0.8
267.02988	12.8
268.03674	5.5
269.04205	0.4
271.02469	2.7
281.04614	0.4
282.01651	3.6
283.02454	3.3
285.04065	0.9
293.00937	2.0
293.04147	0.6
294.01602	0.4
294.05338	0.4
295.02493	68.3
296.03119	21.0
297.03894	3.7
300.02762	4.1
301.03537	3.7
309.04059	1.8
310.04639	0.8
315.18219	0.5
322.00992	0.6
323.01965	7.8
324.02289	0.9
325.03494	2.1
328.02164	1.4
329.02472	0.5
337.03528	1.3
338.04263	0.9
339.05222	0.6
403.08090	0.7
429.05997	0.6
447.07196	100.0
448.07544	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	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55066	0.4
57.03219	0.4
57.03450	5.2
69.88318	2.0
69.88723	0.5
71.05018	1.3
73.77878	0.4
79.05523	0.8
84.39577	0.3
85.02967	0.7
85.06597	4.8
87.04520	6.2
95.05040	1.1
97.06583	0.7
98.19946	0.5
101.06107	0.7
109.02962	0.4
109.06577	0.6
111.03806	0.4
111.04538	6.6
111.08171	5.1
113.06112	0.4
117.35331	0.3
118.33479	0.3
121.06583	1.3
122.03779	0.3
123.08170	1.1
125.02454	0.7
125.09776	0.5
135.08183	0.9
137.09732	5.8
138.10063	0.4
139.07666	1.5
139.11313	0.7
149.06178	0.4
149.09732	1.0
151.04033	0.7
151.07631	0.5
151.11279	0.6
161.09753	0.4
163.11282	2.9
164.08461	0.5
165.09164	0.7
165.12888	0.5
173.09708	0.5
175.07637	0.4
175.11292	0.7
177.05522	0.4
177.09244	0.9
177.12857	0.5
179.07111	1.1
189.09219	0.7
191.10762	1.2
191.14372	1.0
193.08794	0.4
193.12363	0.5
195.06636	8.0
195.13895	1.7
196.07019	0.6
197.11858	0.5
203.14438	1.3
205.12363	0.4
208.07518	0.4
217.12296	0.9
221.08212	1.5
221.15491	0.6
225.14888	0.5
233.08096	0.8
243.13986	0.4
243.17554	1.4
247.13495	1.8
251.16515	1.2
261.18555	3.4
265.14432	7.0
266.14713	0.8
273.18497	0.6
279.16000	1.5
287.16483	0.5
288.17297	0.9
289.21487	0.8
313.21872	0.9
331.22958	0.8
333.20667	2.4
343.15723	0.6
343.22897	2.8
357.20645	0.4
358.21423	0.4
369.20639	0.8
383.25946	1.1
401.26797	2.8
402.27170	0.6
427.24957	1.0
445.25940	100.0
446.26282	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	445.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01344	0.3
69.67641	2.4
69.68047	1.0
71.72807	0.4
78.86293	0.4
79.01913	0.5
98.19860	0.5
107.05060	0.4
110.55930	0.4
123.04546	1.4
125.06087	3.0
125.09751	1.1
137.09711	0.6
151.04031	6.9
152.04488	0.6
165.02034	0.7
166.02695	3.4
169.87340	0.4
177.01981	0.8
177.09273	0.4
179.03526	1.8
180.04305	2.3
184.01373	0.4
191.10820	0.4
192.22774	0.4
205.80521	0.4
207.06761	0.5
207.10318	1.0
207.84506	0.4
217.08707	2.9
221.08179	4.4
222.08981	7.1
223.09541	1.2
235.09767	84.7
236.10219	13.5
237.10422	2.7
238.10938	0.4
247.09727	0.7
249.11298	2.0
249.18620	0.7
250.11870	0.5
299.76645	0.4
305.17538	0.6
319.15610	0.6
319.19128	1.6
320.19669	0.5
333.16965	1.0
361.20435	0.5
375.21722	0.7
376.22650	3.3
377.23273	0.5
401.30643	0.9
434.21664	0.4
445.29544	100.0
446.29929	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	445.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
69.88312	0.8
69.88741	0.9
71.05022	3.0
76.08505	0.3
78.77181	0.3
79.01878	0.4
83.77301	0.3
85.06604	1.2
87.04531	0.7
96.51017	0.3
104.64506	0.3
107.04999	0.4
109.02960	0.5
110.02496	0.2
111.04552	3.6
123.04554	0.8
125.02470	0.7
137.09737	0.6
139.11314	1.7
141.05536	0.4
141.09227	0.3
145.78639	0.2
149.09711	0.3
151.04034	3.6
177.01881	0.4
177.09251	0.6
178.06381	0.5
179.03601	0.3
179.07202	1.6
179.10831	0.5
180.04240	0.5
192.07919	0.3
193.08694	1.1
195.06644	10.8
196.06902	0.6
197.11896	0.4
203.07106	2.1
207.06657	2.0
208.07437	1.1
209.08104	0.4
209.15500	0.6
219.06642	1.0
220.07297	0.7
221.08195	94.9
221.15254	1.3
222.08617	8.6
233.08273	0.7
235.09668	0.6
235.16893	0.4
247.13356	3.1
248.13991	0.5
249.11185	0.5
252.06387	0.4
263.09235	3.7
264.09735	0.4
265.14462	11.5
266.14868	1.0
289.14563	0.5
289.21777	1.2
305.13959	0.4
306.14594	0.3
317.14078	0.6
321.17123	0.6
333.13330	1.7
333.20700	4.0
334.21176	0.4
343.15512	0.5
357.20663	0.5
361.16473	1.5
376.18903	1.1
399.25525	0.6
427.24948	1.4
445.25931	100.0
446.26257	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	445.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29723	0.3
57.03454	2.7
60.64380	0.3
67.59886	0.3
69.03452	0.4
70.91803	1.0
71.01390	0.5
78.68774	0.3
79.01878	0.4
79.05528	0.4
79.45444	0.3
79.74541	0.3
85.06599	7.8
87.04542	1.4
95.05032	1.1
97.02950	0.3
97.06573	0.4
109.06626	1.5
111.04536	10.1
111.08173	9.7
121.06615	0.5
122.03711	0.5
123.04523	0.7
123.08190	0.7
124.05324	5.4
125.02465	5.1
126.02794	0.4
131.19046	0.3
135.08138	0.5
135.17874	0.3
137.02441	0.5
137.06097	1.9
137.09720	0.8
139.07672	8.9
139.11241	0.3
140.08064	0.4
148.08937	0.3
151.03996	0.8
151.07568	0.5
151.11241	0.3
163.11314	0.4
165.09248	0.3
177.05553	0.9
179.07135	2.8
180.04269	0.8
185.74138	0.3
191.14441	1.7
193.08633	0.9
193.12288	0.8
195.06635	12.5
196.06946	0.5
197.11836	3.1
203.07225	0.4
203.14430	0.5
205.08655	0.4
207.06622	0.7
207.13817	0.4
208.07320	0.4
219.06508	0.7
221.08195	10.5
221.15424	0.8
222.08920	2.6
223.09271	0.3
233.08150	0.8
235.09760	1.4
236.10027	1.4
237.10460	1.2
247.13336	0.9
248.14078	1.7
251.12807	0.7
261.18619	0.6
264.13702	0.5
265.14441	4.8
289.14294	0.4
296.12610	1.2
321.17001	1.0
330.18427	0.5
333.20706	6.0
334.21075	0.6
343.15649	0.6
352.15796	0.3
359.18289	0.5
375.21814	0.9
383.25964	0.5
399.25293	1.6
401.26917	1.3
427.24893	1.8
428.25641	0.4
445.25900	100.0
446.26257	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	445.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22247	0.3
57.03448	0.6
70.48913	1.6
78.71781	0.4
79.01915	0.4
85.06599	0.5
99.08092	0.3
100.06347	0.3
101.76396	0.3
109.02980	0.5
111.04530	5.4
120.71739	0.4
121.06612	1.4
123.04561	2.7
123.08196	0.5
134.12431	0.4
135.08150	0.4
137.06090	0.4
137.09737	1.3
149.02448	0.4
151.04025	2.5
163.21893	0.4
165.05589	5.5
177.01878	0.5
177.09322	0.6
178.06732	0.3
180.04318	1.2
189.09177	1.7
191.03429	0.8
191.10777	3.7
191.14430	0.5
192.04237	0.5
193.08673	0.5
203.07169	1.3
207.06636	4.9
207.10281	0.7
208.07426	2.1
209.08188	1.9
212.32304	0.3
217.08688	2.6
219.06595	0.4
221.08188	36.9
222.08881	9.9
223.09381	0.8
233.08130	1.2
235.09755	72.9
236.10127	6.3
261.11368	1.7
261.18613	3.0
263.09241	0.6
270.28708	0.4
287.12866	0.5
289.14349	0.5
305.14020	1.1
306.14703	1.0
319.15436	2.1
320.15677	0.4
343.15289	0.5
359.18707	3.5
360.19061	1.1
376.19153	0.8
377.18796	0.3
433.63263	0.4
445.25931	100.0
446.26291	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	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
61.45495	0.3
62.31532	0.3
65.14022	0.3
65.24089	0.2
69.51542	2.3
71.05020	1.5
75.58606	0.3
85.06614	1.6
87.04528	0.4
97.02947	1.2
97.06623	0.4
98.20664	0.6
107.05016	0.6
109.02987	0.7
111.04529	4.7
112.04859	0.4
121.06597	0.5
122.03735	0.3
123.04536	0.9
123.08205	0.4
127.04021	0.4
135.04565	0.4
136.05327	0.5
138.03232	0.9
139.04031	0.7
151.04030	12.1
151.07658	0.4
152.04582	1.0
163.04008	0.8
163.07729	0.7
165.01973	0.3
165.05611	0.7
165.09184	0.4
167.03468	0.5
168.63747	0.3
177.01959	1.6
177.05577	0.4
178.02611	0.4
179.03497	1.0
179.07187	0.5
180.04308	1.2
180.07874	0.2
189.05579	0.5
191.03508	0.6
191.07170	0.5
192.07939	0.8
193.05077	1.0
193.12340	0.5
194.05812	1.3
195.06587	1.5
204.04285	0.4
205.05045	3.1
207.06648	27.0
207.16185	0.3
208.07375	11.8
209.07793	1.0
219.06638	14.7
220.07329	2.9
221.08218	3.3
221.15494	0.5
223.06131	0.6
231.06616	0.7
233.08205	2.9
237.07686	19.8
238.08351	3.9
245.07492	0.3
249.07831	0.5
251.09256	0.5
252.06305	0.6
263.09351	0.8
265.14395	1.5
285.11691	0.3
289.14331	0.4
290.15140	0.9
291.16095	0.5
291.23212	0.3
321.16989	0.8
329.17404	0.3
333.20648	0.7
341.17340	0.6
343.15479	1.0
346.17780	0.7
357.17148	0.9
358.17780	0.4
359.18188	0.4
359.22281	4.4
360.22571	0.8
361.16379	0.3
371.25980	0.7
376.18820	1.0
383.26053	0.4
384.26154	0.4
415.24878	5.8
416.25021	1.1
427.24899	4.5
428.25214	0.9
441.52481	0.3
445.25931	100.0
446.26291	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	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03449	2.6
69.03447	0.3
69.93833	0.9
69.94246	0.5
85.06600	8.9
87.04514	1.0
95.05000	0.3
97.06599	0.7
99.06010	0.2
107.05085	0.3
111.04536	16.1
111.08175	14.7
112.04865	0.7
112.08511	0.7
119.08710	0.3
121.06585	0.5
121.10327	0.3
122.03775	0.2
123.04552	1.1
123.08222	1.2
125.09780	0.3
135.04550	0.3
135.08092	0.2
136.05290	0.3
137.09714	0.2
139.07672	0.8
145.06583	0.7
147.08182	0.3
148.09013	0.4
149.09689	0.8
150.06905	0.3
163.07649	1.0
163.11301	1.5
165.05559	0.6
165.09201	0.7
167.10782	0.5
173.09695	0.2
175.07693	1.0
175.11264	0.4
177.09235	1.3
187.11307	0.7
189.09296	0.5
189.12907	1.7
191.07193	0.2
191.10811	0.9
191.14427	2.7
193.08727	1.8
193.12317	2.1
201.12885	0.3
203.14497	1.3
207.06598	0.5
207.13849	0.6
215.10759	0.3
217.08684	0.3
217.12296	0.8
221.08141	1.8
233.08156	0.6
233.15462	0.7
235.09756	9.1
236.10089	0.6
255.17606	0.5
257.15604	0.5
259.75745	0.2
261.18661	1.6
270.22610	0.2
273.18536	0.8
275.16504	0.4
277.10229	0.2
305.17328	0.4
319.15573	0.3
343.15527	0.6
343.22763	3.6
344.23004	0.6
347.07217	0.3
349.12747	0.2
351.40967	0.2
353.17484	0.2
359.18689	0.3
369.20673	2.1
370.21091	0.3
371.18570	0.5
383.25998	1.4
387.21805	0.3
401.27036	1.9
402.27310	0.4
445.25949	100.0
446.26285	20.2
446.32751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05704	0.2
57.03439	0.9
68.91077	0.3
69.45718	2.2
69.46131	0.7
70.39489	0.3
71.05035	0.4
72.55499	0.3
75.84720	0.2
79.01897	3.6
87.04531	0.6
88.61675	0.3
90.99780	0.2
98.19815	0.4
111.04533	15.6
112.04864	0.3
123.04548	0.3
123.08175	0.5
124.36776	0.3
149.02457	0.3
150.18826	0.3
151.00311	0.5
151.04034	0.5
151.11305	1.1
165.05536	0.4
166.06354	0.5
177.01987	0.7
177.09169	0.3
178.02737	0.6
179.03491	0.5
179.07172	0.4
180.04193	0.3
191.10974	0.3
192.07909	1.2
193.08772	0.4
194.05835	0.7
195.06656	1.1
198.05362	1.0
205.05098	2.1
206.05853	0.8
207.06508	0.5
208.07430	0.5
219.04506	0.5
219.06625	9.2
219.17564	1.0
220.07388	6.5
221.08180	3.9
221.15439	0.8
222.08978	1.5
233.08180	6.8
234.08633	0.5
235.09753	1.0
245.08116	0.8
247.09738	0.3
248.06987	0.3
252.06419	4.0
259.09717	0.4
261.11447	0.3
263.09238	16.0
264.09674	1.6
265.14435	1.1
277.10730	0.7
289.14520	2.9
289.21729	4.7
290.21973	0.5
299.12833	0.9
305.13953	1.0
306.14648	0.9
317.13959	10.5
318.14398	1.2
319.15512	0.9
331.19025	0.3
333.13428	7.3
334.14072	1.1
343.15622	0.5
358.17822	0.5
359.18616	3.1
360.18915	0.4
361.16565	3.4
362.17047	0.8
366.13120	0.5
375.17822	0.5
376.18881	3.0
377.19162	0.4
408.17657	0.5
422.60403	0.3
445.25937	100.0
446.26279	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	445.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
57.21840	0.3
59.94548	0.3
65.44486	0.3
70.88472	0.9
71.05022	0.9
79.01902	4.7
84.43303	0.3
87.04517	0.8
107.05038	0.3
109.02944	0.5
111.04534	15.9
112.04869	0.7
122.03680	0.4
123.04532	0.4
123.08096	0.4
125.02450	0.4
133.21394	0.3
136.05278	0.3
137.05960	0.3
149.02498	0.4
149.06114	0.4
151.00430	0.6
151.04031	1.8
151.07751	0.4
151.11287	0.5
165.05595	0.8
166.06358	1.3
167.03479	0.4
175.07593	0.3
176.08452	0.4
177.01933	1.0
177.05504	0.7
178.02751	0.4
179.03461	0.4
179.07162	0.6
180.04279	0.6
191.10796	0.9
192.07884	2.4
193.05054	3.2
193.08667	0.5
194.05817	1.6
195.06644	2.9
198.05298	1.0
203.07133	0.4
205.05078	3.0
206.05797	0.7
207.06647	0.5
219.06630	7.4
219.17490	0.6
220.07379	4.6
221.08173	5.5
221.15494	1.1
222.08818	1.1
233.08183	7.9
234.08591	0.3
235.09698	0.9
236.10149	0.5
237.07724	1.0
237.10225	0.3
243.14096	0.4
245.08179	1.2
245.15288	0.4
246.08870	0.3
247.09927	0.4
247.13362	0.8
249.11417	0.3
249.14958	0.5
250.49121	0.4
252.06396	2.1
253.06781	0.3
253.56549	0.3
259.09674	0.5
261.14972	0.9
263.09222	23.3
264.09680	2.2
265.14417	3.8
277.10791	0.3
289.14462	4.6
289.21652	1.1
299.12939	1.1
305.13861	0.7
306.14655	1.0
317.13931	7.3
318.14346	1.1
319.15512	0.9
333.13455	6.0
333.16748	0.3
333.20544	2.5
334.14005	1.3
334.21048	0.4
343.15289	0.4
351.32651	0.3
359.18524	2.0
360.18979	0.5
361.16541	3.1
366.13293	0.3
375.17871	0.4
375.22046	0.5
376.18799	3.3
377.19098	0.4
427.24747	0.3
445.25922	100.0
446.26300	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	445.2597
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
50.61324	0.4
57.03448	1.5
59.01363	0.5
61.37778	0.4
69.87404	2.8
71.05024	0.6
79.01901	1.6
83.05054	0.5
85.06602	1.2
87.04533	0.8
97.06587	1.7
98.20573	0.8
107.05056	0.7
107.96550	0.5
109.06615	3.7
111.04530	9.8
111.08141	0.7
121.02953	0.8
122.03737	0.5
123.04548	0.8
123.08160	1.3
127.34538	0.4
132.15309	0.5
138.03273	0.5
145.02977	2.1
149.02457	0.7
150.03293	0.5
151.04018	3.1
157.64508	0.5
158.12874	0.6
163.03992	0.9
163.07776	0.7
165.01927	1.1
166.02736	4.3
177.01929	3.1
177.46898	0.5
179.07176	0.7
179.10674	0.5
180.04294	0.6
191.03568	0.6
191.10724	1.0
193.08772	1.2
195.06624	1.9
203.07150	1.3
205.05019	0.7
205.08636	0.6
207.06647	4.6
208.07411	27.7
209.07999	4.1
215.07095	1.0
219.06639	1.9
219.10446	0.6
220.07413	1.1
221.08185	21.9
222.08763	3.0
227.07202	2.8
229.12527	0.4
233.08191	15.1
234.08612	2.1
235.09789	5.1
236.10159	1.3
237.07770	0.8
237.10339	0.7
238.08429	0.7
245.19261	1.0
247.09753	0.7
251.09183	0.9
255.06619	14.6
255.09180	0.8
256.07117	2.0
257.19147	0.5
261.11328	1.6
263.09283	3.5
265.14496	1.9
267.06683	0.7
277.10846	1.2
281.13943	1.3
289.14432	1.6
289.21811	0.7
303.16113	1.0
314.26810	0.4
317.14017	3.9
319.15509	1.8
327.23355	1.9
333.13409	1.3
345.20660	0.8
359.18668	1.0
361.16708	1.2
369.24289	1.4
376.18906	4.5
389.24255	0.5
401.26810	0.8
413.23331	10.7
414.23788	1.9
445.25900	100.0
446.26288	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	445.2595
Annotation	CJ 13103
Peak:m/z	Relative Intensity
57.03442	1.4
69.62749	7.2
71.05017	4.7
85.06602	5.7
87.04522	3.7
92.68153	1.0
95.05044	2.0
109.02969	2.8
111.04536	6.6
123.08157	1.4
125.02455	7.7
125.06122	1.0
130.40553	1.0
135.04660	0.8
137.02475	3.0
137.06140	1.3
137.09744	3.8
139.11316	1.9
139.84810	0.7
141.05615	2.7
150.06886	2.9
151.07729	2.0
151.11269	1.1
153.02003	1.1
163.04016	1.9
176.06160	0.9
177.05588	3.2
178.06337	3.3
178.09976	1.3
179.07156	11.6
179.10756	4.5
180.07941	1.5
181.05029	1.9
192.07965	1.5
195.06633	86.9
196.07068	5.8
197.11880	2.7
203.14381	1.0
206.09581	1.0
207.90771	0.9
219.06566	4.0
219.13861	2.1
221.15453	10.0
233.08141	2.1
247.13399	23.4
248.13805	4.4
249.14929	2.2
265.14432	100.0
266.14749	10.6
287.12769	1.3
288.13498	1.1
289.21774	1.9
301.14575	1.5
313.21750	1.0
333.20679	5.6
334.21017	0.9
357.20743	3.7
358.17755	1.1
399.25485	2.4
401.27029	2.2
427.24875	10.3
428.25302	2.6
445.25949	99.8
446.26312	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	445.2597
Annotation	CJ 13103
Peak:m/z	Relative Intensity
55.01880	0.9
57.03447	1.3
59.01381	0.4
71.29300	0.6
71.29642	0.4
79.01890	0.3
79.05531	0.9
85.06598	2.5
87.04521	2.7
88.97521	0.3
89.91850	0.3
95.05026	0.5
99.08168	0.3
109.02950	0.8
111.04533	3.8
113.06145	0.3
123.04512	0.7
123.08171	1.2
124.01649	0.3
124.05247	0.5
125.02464	7.1
125.06129	0.4
135.08138	1.0
137.02446	1.3
137.09744	0.7
138.03230	1.1
139.04027	0.3
139.07458	0.3
141.05624	0.6
141.09248	0.5
144.00609	0.3
149.06169	0.4
150.06845	0.9
151.00374	0.9
151.04034	0.8
151.06488	0.3
151.07654	1.1
151.11292	0.4
153.01933	0.4
153.09311	0.4
163.03975	0.7
165.05550	0.3
165.09258	0.6
177.05566	3.6
177.09241	0.5
178.06305	0.6
178.09886	0.3
179.05675	0.6
179.07164	7.8
179.10785	0.9
180.04303	0.7
180.07666	0.4
181.05055	1.2
189.05533	0.5
193.08673	0.9
193.12396	0.3
194.05927	0.6
194.31355	0.3
195.06635	44.8
196.06931	2.3
197.11842	10.5
198.12201	0.8
201.09219	0.4
205.05011	0.8
207.06664	2.3
213.09154	0.4
217.08702	0.3
219.06702	1.8
219.13841	0.7
220.07443	0.8
221.08185	1.1
221.15533	1.6
223.06081	0.5
229.08757	0.4
231.06763	0.5
233.08089	0.5
233.11795	0.6
237.07666	0.8
247.13403	4.1
248.14119	5.9
249.11272	0.3
249.14461	0.4
253.10851	0.4
259.13394	0.8
261.14838	0.4
263.09091	0.3
263.12741	0.5
264.13568	0.6
265.14441	12.7
266.14709	1.6
271.13376	0.4
273.15121	0.4
275.12830	0.8
287.12930	1.8
288.13538	0.6
289.14450	1.4
290.15106	0.4
296.12622	1.1
301.14597	0.6
305.13998	0.9
305.43732	0.4
306.14624	1.1
313.21948	0.3
314.18942	0.3
317.17548	0.6
321.17053	1.6
330.18283	1.6
331.19101	0.4
333.20691	7.9
334.21045	1.1
343.15485	2.0
344.15637	0.4
346.17801	0.9
357.20679	1.0
359.22437	1.4
360.22702	0.4
376.18918	1.0
383.25916	1.9
399.25412	5.3
400.25604	0.7
401.26996	3.2
402.27060	0.5
415.24799	1.2
427.24960	3.9
428.25174	0.6
445.25943	100.0
446.26306	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13733	0.2
55.01866	0.7
57.03454	1.3
58.00597	1.5
58.30818	0.3
59.01379	28.4
60.01712	0.6
61.98829	6.4
63.02392	2.7
64.15950	0.3
65.00322	4.3
69.41146	1.9
69.41573	1.1
71.01384	17.6
72.99312	1.5
73.02950	17.3
74.59043	0.3
75.00865	0.5
79.01899	0.5
81.03455	0.4
83.01392	4.7
83.05030	0.7
85.02955	4.1
87.00876	0.8
87.04494	0.5
89.02455	22.1
90.02779	0.4
93.03434	0.3
95.01402	1.4
95.04975	0.3
97.03003	0.4
97.06638	0.4
98.19849	0.7
99.00887	3.0
99.04531	2.8
101.02453	9.4
102.96439	0.2
105.03433	0.3
107.01403	9.4
107.02130	0.7
107.05079	0.3
108.01772	0.3
109.02955	0.5
109.06596	0.4
111.04546	1.3
111.05200	0.3
113.02467	4.9
117.03490	0.4
119.02740	0.5
119.03517	4.9
119.04979	0.4
121.02984	1.2
123.04502	0.8
124.01682	0.8
125.02463	8.6
126.02830	0.3
131.03522	2.6
133.02963	1.3
135.00940	0.3
135.04515	1.1
137.02444	1.2
143.03532	1.1
145.02997	2.7
147.04555	1.6
149.02579	1.3
149.04572	6.7
151.00389	29.8
152.00989	1.4
153.01974	1.5
158.03743	0.7
159.00850	0.3
159.04518	1.1
160.01648	0.5
161.02464	8.0
161.04510	1.5
162.03279	1.4
163.00395	1.1
163.04013	4.5
164.01163	0.4
165.01970	0.5
165.12846	1.7
168.24710	0.3
169.01465	3.3
171.04565	0.3
173.02443	1.0
174.03191	0.8
175.04019	2.9
177.01913	0.8
177.87898	0.3
178.99878	15.9
179.03447	0.6
179.05559	1.4
180.00211	0.9
181.01476	0.3
182.19649	0.3
183.04541	0.7
185.02490	1.0
187.00406	1.6
187.04030	0.8
189.01978	3.8
189.05557	0.5
190.02522	0.8
191.03508	3.2
191.05554	1.2
192.00728	1.3
192.03931	0.3
193.01396	0.9
193.05103	0.6
195.04543	0.4
197.06015	0.5
198.03238	0.4
199.04123	1.4
201.01993	0.8
201.05608	0.9
202.02727	0.4
203.03490	2.4
203.14430	0.9
205.01454	0.4
205.04921	0.4
207.03008	0.7
209.06046	0.3
209.11873	5.0
211.04005	1.2
213.01947	0.5
214.02719	0.7
214.99818	0.7
215.03511	0.6
217.01405	1.2
217.05008	0.8
218.02232	0.3
219.06563	0.4
220.07491	0.3
221.04535	0.9
221.15459	9.6
222.15874	0.9
223.04021	0.6
225.05609	0.8
225.16846	0.3
226.02635	0.5
227.03461	2.1
229.01463	0.4
229.05046	0.7
230.05313	0.4
231.02922	1.3
233.08328	0.4
236.10191	0.4
237.14977	0.3
239.03534	1.0
239.16496	1.1
240.04146	0.3
241.01411	3.3
241.04990	1.4
242.02225	1.7
243.02962	1.8
245.00853	1.9
245.04510	1.0
247.02461	0.6
247.06024	0.4
251.03418	1.4
251.07558	0.4
253.01610	0.3
253.04875	0.6
255.03009	1.7
256.03754	0.9
257.04507	0.6
263.09125	0.9
265.14432	17.4
266.14648	1.4
267.02908	2.2
269.04550	2.1
270.01721	2.7
270.04599	0.4
271.02435	5.1
271.05563	0.5
272.02936	0.5
273.04065	0.3
279.02914	1.6
280.03723	0.9
281.04602	0.5
283.02469	1.2
283.15503	21.8
284.03134	1.0
284.15930	2.1
285.03989	1.6
289.14484	0.3
293.04486	0.4
295.02490	12.1
296.03128	2.7
297.04041	8.7
297.07425	0.4
298.01181	1.9
298.04449	0.7
299.01984	4.0
299.05270	0.5
300.02686	2.2
301.03574	5.0
302.03873	0.7
309.03992	0.7
311.02042	2.4
311.05417	0.4
312.02701	0.9
313.03500	7.8
313.16528	0.5
314.03973	0.9
315.05106	0.4
317.13849	0.8
323.01950	11.0
324.02557	2.1
325.03326	0.7
325.07086	0.4
325.16602	0.9
327.01474	7.7
327.05081	0.8
328.01913	0.8
337.03583	0.4
341.03018	22.5
342.03430	2.8
343.04495	0.7
353.03024	1.1
355.04611	2.0
355.17340	0.3
371.04227	0.5
373.05630	1.6
383.03970	0.6
385.13092	0.6
427.06747	0.4
445.07758	100.0
445.20724	18.0
445.26141	5.6
446.08121	15.9
446.21048	2.7
446.26129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02721	0.4
55.01881	0.6
57.03451	1.1
58.00597	1.7
59.01382	100.0
60.01719	1.4
61.98840	1.0
63.94122	0.4
69.03458	0.4
70.11325	0.7
70.11726	2.0
71.01389	28.6
72.99313	4.3
73.02959	1.7
75.00878	4.1
83.01402	0.8
83.05042	5.1
83.59545	0.4
84.08550	0.4
85.02966	4.5
87.00893	1.6
87.04517	0.4
89.02457	40.4
90.02775	0.8
95.01408	2.0
95.37585	0.4
99.00921	0.8
101.02463	14.0
107.05090	0.6
111.04538	1.0
113.02467	13.6
113.03234	0.7
115.07134	0.4
119.03526	14.5
121.02960	0.6
121.06651	0.6
123.04566	0.7
125.02456	0.6
131.03578	2.1
133.06665	0.4
138.06937	1.3
139.07677	0.5
143.03531	4.2
149.04617	1.5
151.07669	1.4
152.08470	1.9
153.09235	6.2
161.04596	8.6
161.05930	0.4
161.09702	0.9
162.04979	0.4
175.11200	0.4
177.13008	0.5
179.05629	23.8
180.06071	1.4
195.04936	0.7
205.12364	3.9
219.06552	0.6
221.11865	0.6
222.25206	0.4
223.13393	3.3
239.12894	6.8
241.55084	0.4
263.09195	0.7
265.10742	3.0
267.69818	0.5
283.11871	7.4
284.12292	0.6
317.14313	0.5
385.18790	5.5
386.19174	0.8
445.16913	3.1
445.25864	4.5
446.26657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34350	0.3
57.03446	0.4
58.00600	1.0
59.01381	100.0
60.01697	1.3
61.98834	0.7
69.40082	1.5
69.40510	1.5
71.01386	19.3
72.01731	0.4
72.99327	2.1
73.02970	0.6
75.00875	1.9
79.01927	0.6
83.01408	0.9
83.05022	2.9
85.02970	2.5
87.00877	1.7
89.02456	28.2
90.02817	0.7
93.03508	0.8
95.01421	1.2
96.96026	1.5
99.00919	0.7
101.02467	8.6
107.05064	0.4
111.04549	1.6
113.02460	7.7
113.63203	0.2
119.03522	9.4
119.05004	0.4
121.06608	0.6
123.04542	0.3
125.02478	0.7
131.03519	1.5
133.06628	0.4
135.04584	0.4
143.03551	3.4
149.04597	1.3
151.00377	0.7
151.04150	0.4
154.32114	0.3
159.04610	0.4
161.02538	0.7
161.04584	4.1
161.05904	0.4
161.09834	0.4
175.11452	0.4
177.01961	0.3
179.05632	21.9
180.06009	0.7
191.05643	2.1
201.05608	0.4
205.12367	0.6
209.08179	0.5
217.99030	0.3
219.06714	0.8
220.07573	0.4
221.08226	0.4
221.11900	0.4
225.41229	0.3
233.08235	0.6
235.09915	0.3
239.10797	1.1
239.12987	2.4
240.13390	0.3
245.04541	5.2
246.04857	0.7
252.06302	0.3
263.09320	1.4
265.10889	1.4
265.14044	0.3
271.06146	0.6
283.11954	3.8
284.12238	0.5
287.05725	0.5
317.14194	1.1
325.12854	0.3
333.13586	0.3
359.09918	0.4
365.18329	0.4
378.52020	0.3
407.10022	1.2
409.22174	0.3
445.13220	1.0
445.20499	1.0
445.25940	7.7
446.26221	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.2
59.01382	25.2
61.98829	36.7
69.73521	16.2
71.01373	5.7
71.05022	3.0
72.99301	3.7
79.01871	5.9
79.53181	2.0
89.02419	4.0
90.87273	1.9
101.02423	4.0
109.02947	3.0
111.04546	16.8
113.02396	2.7
119.03513	2.5
121.02943	5.0
125.02430	3.8
125.06053	4.3
125.42581	2.4
137.02429	3.6
139.04037	13.8
151.00389	3.9
151.04004	3.0
157.92136	2.1
163.03970	2.8
164.14702	2.3
165.01933	2.9
179.10815	16.3
180.04349	3.2
180.11200	2.5
181.04704	2.2
192.07999	2.6
195.06529	4.6
205.05077	3.1
205.12227	2.6
209.11806	4.3
219.06520	9.0
219.10384	2.1
220.07245	6.3
221.08116	7.0
223.09760	100.0
224.09988	8.2
233.08101	8.6
235.09795	13.8
236.10281	12.4
237.10376	7.1
241.01465	10.0
243.03183	2.0
244.79079	1.8
245.00798	6.6
252.06302	3.3
263.09265	13.6
263.11511	2.3
265.14417	3.1
270.01694	10.9
271.02420	12.1
283.11765	3.3
287.05173	3.3
295.02472	4.2
296.96057	2.1
298.01074	4.9
299.01984	12.8
317.13849	8.9
318.14362	2.3
321.17004	2.4
333.13382	6.9
333.20526	3.9
359.18533	4.2
361.16406	4.7
376.18976	2.3
385.14917	15.8
386.15396	2.5
430.95831	2.0
444.28424	21.3
445.07703	23.6
445.25708	91.0
446.07947	4.2
446.26370	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40840	0.3
55.01864	0.3
57.03450	6.2
58.00584	0.5
59.01379	100.0
60.01706	1.3
63.77736	0.3
71.01386	13.7
71.29271	0.6
71.29609	0.3
72.99310	4.8
73.02953	0.9
75.00874	3.5
83.01427	0.3
83.05058	0.5
84.37943	0.3
85.02953	2.2
87.00887	0.8
89.02453	16.9
95.01414	0.9
97.02919	0.6
99.00908	0.7
99.04512	0.4
99.33662	0.3
101.02449	8.0
107.05074	0.5
109.06621	0.5
113.02461	5.9
119.03516	7.6
119.04312	0.5
123.00903	0.7
124.01676	33.4
125.01916	0.5
125.02514	0.6
131.03560	1.2
139.04028	39.1
140.04358	2.2
143.03477	1.7
149.04576	1.1
149.06126	0.5
151.07655	6.3
161.04570	2.2
163.11328	0.9
166.68878	0.3
171.88141	0.3
179.05650	2.4
179.10802	2.0
187.11356	0.5
205.12335	6.5
206.12709	0.7
221.11900	0.4
223.13412	0.4
237.06314	0.3
239.12898	13.7
240.13289	1.0
265.10941	0.9
281.01514	0.3
283.08704	0.6
283.11884	5.9
284.12442	0.4
293.08963	0.9
301.09311	6.8
302.09747	0.7
325.12805	0.4
330.90320	0.4
343.10336	1.7
357.20120	0.3
383.13608	0.4
445.16837	2.8
445.26038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99861	0.8
57.03447	4.7
58.00595	1.8
59.01382	41.9
64.08334	0.8
69.03442	2.9
69.65368	7.8
69.65686	1.3
71.01394	10.6
72.99314	33.7
73.02916	1.0
75.00881	48.8
83.05034	9.7
85.02956	3.5
87.00888	2.2
87.04542	2.1
89.02450	8.8
95.01414	1.2
99.00909	1.8
101.02460	5.9
103.00407	2.1
107.05040	5.6
109.06589	1.6
113.02461	3.4
117.01971	0.9
119.03526	2.7
120.05817	2.4
133.06595	4.1
135.04489	1.2
149.06068	2.0
157.05083	2.2
161.09756	9.1
163.11349	2.3
174.75626	1.0
175.11317	4.0
177.12891	1.4
180.92610	1.2
185.09764	1.6
189.09265	4.2
190.24191	1.1
193.12291	1.6
203.10814	2.8
207.10300	3.8
221.11832	5.6
223.09711	1.4
239.12892	58.8
240.13295	5.2
265.10794	27.9
266.11194	3.1
267.64767	1.0
283.11874	100.0
284.12262	11.9
325.12909	3.8
348.72934	0.9
385.15021	1.3
445.17148	41.0
446.17395	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09393	0.9
52.87328	0.9
57.03437	5.3
58.00599	3.7
59.01380	55.2
69.03471	3.0
69.76653	7.4
71.01385	16.6
71.05016	1.0
72.99313	44.8
75.00878	71.7
76.01214	1.7
83.05031	16.3
85.02959	3.9
87.00918	1.6
87.04526	3.3
89.02448	16.8
95.01403	1.2
98.44664	1.0
99.00908	1.7
101.02459	7.8
103.00394	4.4
107.05052	9.0
107.08674	1.6
109.06609	3.8
113.02454	6.5
117.01933	1.7
118.46186	1.0
119.03495	3.6
120.05827	1.4
133.06609	6.4
149.06091	3.6
152.04729	1.1
157.05070	3.3
159.08144	1.3
161.09731	15.8
162.44632	1.1
163.07744	1.3
163.11311	3.1
175.11337	5.2
177.12874	3.0
185.09741	3.6
189.09268	8.0
193.12445	1.2
203.10805	3.3
207.10310	6.9
219.10231	1.0
221.11824	9.9
222.12006	1.0
239.12886	79.4
240.13293	3.9
265.10800	31.5
266.11081	3.2
267.51718	0.9
277.05106	1.0
283.11871	100.0
284.12244	8.2
325.12885	3.5
385.15335	1.9
445.17151	50.1
446.17377	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	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03451	6.6
58.00613	2.8
59.01381	44.9
61.98831	6.6
68.02814	0.7
69.03482	2.0
71.01386	20.7
71.05058	1.0
71.71611	1.4
72.99312	43.6
73.02972	2.5
75.00880	48.3
81.07118	0.7
83.01448	1.0
83.05037	8.0
85.02966	5.8
87.00880	3.5
87.04541	4.2
88.98806	0.9
89.02457	13.0
95.01395	1.7
97.06654	0.8
99.00896	4.5
101.02448	7.5
103.00410	2.1
103.17110	0.9
105.64561	0.7
107.05046	5.1
107.08698	0.9
109.03033	0.7
109.06636	2.6
111.04572	1.6
113.02468	5.6
117.01987	2.4
119.03507	3.4
120.05829	1.7
125.02547	1.1
125.06142	1.3
126.25558	0.8
129.01978	1.3
133.06656	2.2
139.32407	0.8
143.03462	0.8
147.03041	0.8
147.08231	0.8
149.06123	1.2
149.09827	0.8
156.66972	0.8
157.05128	1.4
159.11807	1.3
161.04604	2.1
161.09752	4.7
163.07677	2.1
163.11417	1.8
172.27144	0.7
175.11308	5.3
177.09279	2.0
177.12909	1.8
179.05701	1.7
185.09753	1.6
189.09254	4.4
193.12364	1.6
203.10812	3.5
205.12407	2.3
207.10278	4.6
221.11832	6.3
223.13428	1.1
237.06239	1.8
237.11198	2.0
239.12895	80.0
240.13156	5.9
247.09753	0.9
265.10785	24.7
266.11148	2.0
281.14026	2.5
283.11880	100.0
284.12228	7.4
307.11716	2.7
325.12903	8.8
355.13907	0.8
385.14661	3.5
401.18170	1.1
427.16031	1.8
445.17035	36.9
445.25626	4.3
446.17322	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	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99835	1.0
57.03443	4.5
58.00596	2.4
59.01380	54.1
59.79742	0.6
60.01715	1.0
63.61484	0.8
69.03458	3.1
69.84409	5.7
71.01385	16.6
72.99313	39.4
73.99660	0.9
75.00878	62.6
83.05031	14.1
85.02975	4.6
87.00884	1.4
87.04519	2.5
89.02451	17.2
94.32386	0.8
95.05028	1.7
95.30076	0.9
98.20602	1.4
99.00887	3.2
99.10326	0.7
101.02460	7.6
103.00363	2.2
107.05050	10.4
107.08678	1.6
109.06612	2.8
113.02436	5.6
119.03505	5.3
120.05823	2.4
121.06649	0.8
131.77054	0.7
133.06601	7.8
135.04546	1.5
143.03540	1.2
149.06085	3.4
149.09813	1.0
157.05089	4.0
159.08188	1.7
161.09756	12.7
162.10135	1.3
163.11304	2.6
173.09531	0.9
175.11290	4.9
177.12817	1.8
179.05602	1.3
185.09714	3.2
189.09250	6.6
193.12416	1.1
203.10832	2.4
207.10278	3.8
221.11847	9.6
222.12141	1.2
223.09798	1.7
239.12878	62.8
240.13338	4.7
265.10788	33.5
266.11127	3.9
281.14124	0.8
283.11865	100.0
284.12158	9.1
294.23767	0.8
325.12964	3.0
385.14975	2.3
386.16028	0.8
423.57681	0.9
439.39359	0.7
445.17157	41.7
446.17630	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37486	2.1
51.42854	2.0
57.03442	4.2
59.01373	18.9
61.98843	14.0
61.99094	2.1
70.46319	4.1
70.46707	4.1
71.01391	5.1
71.05019	2.4
73.02948	2.3
77.78517	2.3
79.01894	5.2
83.01380	4.2
89.02434	3.9
101.02451	5.0
101.05048	2.3
104.93203	2.3
109.02952	4.7
111.04530	19.5
114.66241	2.3
116.48110	2.4
121.02974	25.0
122.03755	9.9
123.04565	2.9
124.01682	3.2
125.02467	10.6
137.02466	28.3
143.31612	2.4
149.02405	4.0
150.03246	77.5
151.00386	2.8
151.03752	4.5
161.02475	4.3
164.01236	3.1
165.01930	28.2
166.58215	2.3
172.54846	2.2
175.04012	3.9
177.01791	2.3
177.05611	4.0
179.03496	4.2
180.04135	2.8
180.78799	2.3
182.57466	2.0
191.03578	2.7
191.10779	3.6
195.06638	5.3
200.08105	2.2
201.05673	2.4
205.05077	4.2
209.11835	44.6
219.06677	12.5
220.07332	4.6
221.08156	5.5
222.08664	3.9
225.05693	2.4
227.03638	2.8
233.08206	8.0
235.09764	18.1
236.10138	17.9
237.10533	7.7
241.01408	8.2
243.03036	4.3
245.01019	3.9
252.06335	3.9
253.09288	6.6
259.06119	8.2
259.49561	2.4
263.09250	15.4
265.14301	3.0
270.01733	7.0
271.02420	10.3
278.03433	2.6
282.01666	11.6
283.11804	2.4
287.05621	35.4
288.06262	10.6
289.07056	3.2
289.14478	4.2
295.02652	2.9
298.01157	6.5
299.01923	16.8
301.03473	2.6
313.07080	5.1
317.13989	8.3
325.40686	2.4
333.13373	5.2
359.18729	4.2
361.16418	5.4
385.12778	3.1
444.28458	48.8
445.07071	21.8
445.25400	100.0
446.07758	3.2
446.26053	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	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07966	0.9
57.03447	3.1
58.00596	1.8
59.01379	27.9
61.98825	0.8
69.03452	2.0
69.65386	7.3
69.65770	2.2
71.01382	8.5
72.99311	33.0
75.00882	32.0
83.05027	6.7
85.02982	2.2
87.00910	1.0
87.04510	2.7
89.02454	6.2
98.19962	1.2
99.00919	1.5
101.02435	3.4
103.00382	1.4
107.05032	4.2
109.06599	1.4
113.02455	2.9
117.01953	1.5
119.03530	1.5
120.05871	0.9
133.06598	3.6
157.05148	0.9
161.04570	1.2
161.09749	6.8
161.53543	1.0
163.07581	1.0
163.11284	2.0
175.11314	3.4
185.09737	1.8
189.09132	2.1
193.12428	1.2
203.10857	1.0
207.10255	3.4
221.11800	5.3
239.12888	44.8
240.13206	3.7
265.10764	18.1
266.11163	1.6
283.11874	100.0
284.12253	7.8
325.12970	3.5
385.14966	1.6
445.17108	21.8
446.17441	2.8
457.80585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31706	0.2
57.03465	0.3
59.01390	0.7
61.98827	0.5
68.41177	0.3
69.45386	0.2
71.01389	12.2
71.20258	0.5
72.99334	0.3
79.01910	0.2
85.02946	0.3
87.00232	0.2
94.18161	0.2
108.02188	27.0
109.02523	0.7
111.04539	0.5
115.00389	8.1
123.04544	14.6
124.04874	0.5
135.04478	0.2
139.04079	0.4
152.01180	30.6
153.01451	1.2
161.04573	0.2
162.16328	0.3
167.03523	100.0
168.03876	4.7
177.01904	0.4
191.05615	0.4
203.03632	0.2
233.08194	0.4
235.09848	0.5
236.10156	0.5
263.09113	0.6
329.08795	14.3
330.09149	1.3
444.28491	0.7
445.25909	3.4
446.26364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17284	0.4
57.03450	14.7
58.00603	0.8
59.01381	77.6
60.01702	0.6
67.65418	0.5
69.03465	0.7
69.82462	3.7
71.01389	14.9
72.99314	8.0
73.02958	1.0
75.00877	7.5
83.01379	1.0
83.05031	1.0
85.02953	3.1
87.00889	0.8
89.02454	17.0
95.01423	0.9
95.17625	0.6
98.19894	0.6
99.04521	1.0
101.02460	8.5
105.77893	0.6
107.05057	0.6
107.08681	0.8
109.06647	1.1
111.04553	0.7
112.30228	0.5
113.02454	5.1
115.22745	0.5
119.03517	5.3
123.00880	1.8
124.01681	90.8
125.02023	2.0
125.02469	1.7
131.03528	1.9
139.04033	100.0
140.04366	5.3
143.03529	1.0
149.04567	1.7
151.07666	17.6
152.08009	1.1
161.04684	1.1
161.09758	0.9
163.11295	0.6
172.00613	0.5
177.12820	1.0
179.05672	1.3
179.10796	2.6
205.12350	4.6
208.38501	0.5
221.12004	0.6
237.06244	0.9
239.12894	25.7
240.13248	2.9
265.10751	2.0
283.08374	1.0
283.11859	11.8
284.12097	1.2
293.08661	1.7
301.09286	18.3
301.12729	1.0
302.09552	2.2
325.12955	1.2
343.10367	4.9
445.17206	8.3
445.25806	3.8
446.17511	0.9
446.26846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28984	0.3
55.01881	0.8
57.03444	0.8
59.01085	0.4
59.01381	7.6
61.98832	100.0
69.03477	0.4
71.01386	11.8
71.43700	0.5
72.99305	0.4
73.02957	4.2
73.03341	0.4
75.00890	0.4
79.01918	0.4
83.01399	1.4
85.02958	4.9
87.00916	0.4
89.02455	4.5
95.01419	0.9
97.02968	0.7
99.00899	3.2
101.02458	8.3
105.06490	0.3
111.00851	0.4
111.04537	0.4
113.02474	4.4
115.04061	0.3
119.03539	0.5
121.02991	1.1
122.03342	0.5
123.04608	0.5
125.02492	1.0
125.06129	0.8
127.44738	0.3
131.03531	1.3
143.03581	0.5
146.34731	0.3
149.04581	2.7
151.00304	0.3
151.04008	1.4
151.11342	0.4
152.04555	0.3
159.03032	0.9
161.02528	0.3
161.04576	4.0
167.68570	0.3
178.99904	0.4
179.03539	0.4
180.04269	1.6
191.05676	1.0
195.06689	0.4
207.10326	0.4
209.79314	0.3
217.08714	0.5
221.08286	1.0
221.15508	0.3
222.09036	0.4
233.06648	0.4
235.09752	9.7
236.10289	3.9
237.10773	0.5
239.03497	0.3
241.01434	1.3
245.00935	0.4
247.09819	0.7
249.11407	0.9
267.02795	0.3
270.01718	1.4
271.02551	1.0
282.01431	0.4
283.00629	0.6
283.15329	0.3
293.08987	0.3
295.02475	4.3
295.05582	0.3
298.01382	0.6
299.01929	1.3
301.03522	0.4
313.16556	6.4
313.19772	0.5
443.28098	11.1
444.22995	0.6
444.28519	6.3
445.07013	3.4
445.20740	19.0
445.25616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0779
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
57.03438	1.0
58.00579	0.4
58.99397	0.2
59.01378	8.4
61.98835	2.1
63.02395	2.4
65.00319	3.8
69.58996	2.1
69.59392	0.5
71.01385	5.0
72.99304	0.4
73.02956	3.6
83.01387	3.2
85.02956	1.2
87.42961	0.3
89.02448	7.9
95.01412	0.7
98.13087	0.3
98.20602	0.5
99.00896	0.6
99.04534	0.5
101.02464	3.1
107.01402	7.0
107.05009	0.3
109.02984	0.5
111.04549	0.4
113.02457	1.4
117.03472	0.7
119.03535	1.2
121.02969	0.5
125.02457	6.1
125.03302	0.5
131.03484	0.7
133.02956	1.1
135.00870	0.3
135.04559	0.9
137.02437	0.5
137.06163	0.3
145.02962	2.4
146.03676	0.3
147.04552	1.8
148.01675	0.2
148.85851	0.3
149.02495	0.5
149.04590	2.3
151.00389	28.3
152.01006	1.5
153.01949	1.2
158.03723	0.4
159.04509	1.0
160.01617	0.3
161.02455	6.4
161.04555	0.5
162.03207	1.0
163.00354	1.0
163.04016	4.6
164.01166	0.3
167.04985	0.3
169.01459	2.8
171.04564	0.5
173.02441	0.8
173.06042	0.4
174.03250	0.4
175.04031	3.3
177.01981	0.7
178.99876	14.0
179.05609	0.5
180.00159	0.8
182.03763	0.3
183.04485	0.5
185.02443	0.3
187.00488	1.3
187.03996	0.8
189.01952	3.1
190.02554	0.5
191.03554	3.0
191.05463	0.5
192.00665	1.0
193.01379	1.1
193.62407	0.3
195.04556	0.4
197.06075	0.5
199.04002	1.0
201.01924	1.1
201.05603	0.6
203.03554	2.9
205.01402	0.4
205.05110	0.4
207.03041	0.8
209.06033	0.4
209.11847	1.1
211.03951	0.9
212.04709	0.3
213.05644	0.6
214.02711	0.4
214.99893	0.4
215.03377	0.4
217.01456	0.9
217.04968	0.7
219.03088	0.4
219.06697	0.4
221.04610	1.5
221.15453	2.7
222.15794	0.3
223.04028	0.7
225.05612	1.0
227.03516	2.4
229.01434	0.8
229.05045	0.8
231.02901	0.8
235.03943	0.3
235.09688	0.4
236.10110	0.6
239.03471	0.9
239.06696	0.3
240.04231	0.5
241.01442	1.0
241.05051	1.8
242.02271	0.4
243.02971	1.1
245.00948	0.7
245.04585	0.5
247.02405	0.7
251.03505	1.6
252.04077	0.3
253.05029	0.7
255.03004	1.0
256.03629	0.6
257.04593	1.1
265.04901	0.4
265.14471	4.3
267.02963	1.9
269.04532	1.8
270.01688	0.7
271.02597	1.5
271.05496	0.3
273.04166	0.5
279.02881	1.3
280.03726	0.6
283.02441	1.3
283.15530	5.0
284.03265	0.9
284.15979	0.5
285.04044	1.8
295.02487	9.8
296.03110	2.5
297.04034	7.9
298.01202	0.9
298.04340	0.4
299.02081	1.3
300.02722	1.5
301.03549	2.4
309.04099	0.7
311.02069	2.1
312.02560	0.8
313.03531	6.7
313.07147	0.4
314.04028	0.7
315.05206	0.5
323.01993	10.6
324.02496	1.4
325.03656	0.7
327.01456	7.2
327.05005	0.6
328.01773	0.6
337.03638	0.4
341.03030	22.8
342.03360	2.8
343.04422	0.5
353.03021	0.8
355.04590	2.0
371.04395	0.7
373.05612	1.5
383.04153	0.9
384.04379	0.4
427.06512	0.5
433.58981	0.3
444.28317	1.0
445.07755	100.0
445.26038	2.0
446.08124	13.5
446.21198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
69.38558	4.0
72.59581	0.4
76.67439	0.4
79.01888	0.5
86.19675	0.4
99.08153	0.5
107.04987	1.0
109.03002	0.5
123.04533	1.7
125.06107	5.2
138.03255	0.4
151.04028	10.3
152.04805	0.8
165.05560	0.7
166.02730	1.6
174.07506	0.4
177.01949	2.0
179.03502	2.8
180.04305	9.2
181.04662	0.6
188.92807	0.4
189.05598	0.4
191.03479	0.6
191.10771	1.3
193.05052	0.5
193.12311	0.6
199.38768	0.4
205.12349	1.1
207.06738	0.5
207.10303	2.3
217.08635	3.1
221.08194	6.5
222.08939	3.6
223.09711	0.9
229.08839	0.4
233.08174	1.7
233.11942	0.5
235.09753	88.2
236.10434	24.9
237.10869	1.7
247.09761	6.0
248.10408	1.2
249.08897	0.7
249.11310	8.7
249.18507	0.4
250.11617	0.9
251.08720	0.4
261.11310	1.1
289.14453	0.5
301.14560	0.6
303.16022	1.1
317.14005	0.8
317.17474	2.1
357.20578	0.7
359.18423	1.1
373.20364	0.8
374.20807	1.3
399.29010	1.4
443.28024	100.0
444.28369	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	443.2805
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.01871	0.4
62.94770	0.3
70.74904	1.1
87.04446	0.3
93.72386	0.3
93.89621	0.3
97.94380	0.3
101.39880	0.3
102.82089	0.3
107.05023	0.9
107.69318	0.3
109.02930	0.3
111.04498	0.8
119.41062	0.3
121.06577	0.4
121.33975	0.3
123.04559	2.3
125.06108	3.8
125.09707	0.3
126.06326	0.3
137.02437	0.9
137.09738	0.7
138.03204	0.7
149.02516	0.3
151.04034	10.0
152.04668	1.0
163.04027	0.4
165.01953	0.5
165.05530	0.7
166.02721	4.5
177.01938	1.7
179.03543	3.4
180.04301	10.6
181.04710	0.7
191.10831	0.5
203.10756	0.4
203.19258	0.3
205.12294	0.7
207.06767	0.4
207.10260	2.4
208.07423	0.3
208.10689	0.4
217.08701	3.4
218.09041	0.4
219.10324	1.0
221.08223	1.7
222.08960	2.2
223.09731	0.7
233.08191	0.9
235.09764	100.0
236.10431	29.4
237.10905	2.4
247.09753	4.1
248.10358	0.7
249.11345	5.2
261.11401	0.9
275.12796	0.8
276.13635	0.4
291.12195	0.3
303.12585	0.6
303.15866	0.4
304.13138	5.8
305.13574	0.5
317.17722	0.6
357.20862	0.6
359.18869	0.4
373.20148	1.8
374.20862	2.8
392.59830	0.4
443.28229	75.9
444.28555	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	443.2803
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.67469	0.3
55.78339	0.3
57.38333	0.3
58.82261	0.3
71.41016	0.3
82.55010	0.3
99.08217	0.4
108.99189	0.3
121.06600	0.4
123.04537	0.8
125.06103	3.0
137.09761	0.8
138.03265	0.8
151.04016	3.4
163.04041	1.0
164.04820	1.1
165.01865	0.4
166.02718	4.6
177.02003	1.0
179.03575	1.8
180.04356	1.1
191.03584	1.3
191.10809	0.4
192.04288	1.6
207.10257	1.3
217.08777	1.6
219.06625	0.6
219.10300	0.7
220.11034	0.8
221.08223	1.1
222.08974	11.3
223.09549	1.1
226.98175	0.4
229.38924	0.4
233.08168	12.5
233.11774	0.7
234.08583	0.9
235.09750	43.1
236.10327	4.9
247.09750	11.0
248.10493	9.9
249.10989	1.1
259.16977	1.1
261.11340	3.4
273.11377	0.7
273.18820	0.4
280.09558	0.5
289.14575	1.2
303.15997	13.6
304.13174	1.1
304.16586	2.4
315.15942	0.5
317.13867	0.4
317.17535	8.6
318.14685	0.6
318.18115	1.0
323.76373	0.4
331.15500	1.0
331.19165	0.8
359.18771	1.1
373.20071	0.9
374.20956	9.1
375.21490	1.0
387.24387	0.5
399.29123	1.8
443.28110	100.0
444.28494	18.6
465.12424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2804
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.19096	0.3
68.99831	0.3
78.71252	0.4
79.01866	0.3
81.59361	0.3
107.05047	0.7
108.92496	0.3
109.02935	0.5
111.04517	0.5
115.49152	0.3
118.15993	0.3
123.04543	2.6
125.06112	4.0
135.04514	0.3
135.09996	0.3
137.09770	0.6
149.02434	0.5
151.02852	0.5
151.04037	9.9
152.04675	1.4
165.05505	0.3
166.02702	1.1
173.09732	0.4
177.01967	1.3
179.03535	2.2
179.10889	0.3
180.04298	10.7
181.04663	0.8
184.03745	0.5
191.03387	0.4
191.10863	0.4
201.30280	0.3
205.12302	0.6
207.06540	0.5
207.10301	2.8
217.08719	4.2
219.10216	0.7
221.08240	1.2
222.08997	2.1
223.09755	0.9
233.08299	0.8
235.09764	100.0
236.10428	29.0
237.10861	2.1
247.09721	4.1
248.10315	0.7
249.11345	4.0
250.11719	0.7
261.11292	1.0
273.11594	0.4
278.17310	0.3
289.14600	0.4
303.15976	0.6
314.95718	0.3
317.17523	0.7
357.20709	0.4
359.18610	0.5
374.21075	2.6
375.21768	0.5
443.28061	82.2
444.28375	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	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81936	0.4
55.01882	0.4
57.03454	0.7
59.49268	0.4
59.86019	0.3
71.05023	0.9
71.72151	0.5
73.02940	0.8
78.03827	0.4
80.07714	0.4
83.05013	0.6
99.08169	2.4
101.06103	0.8
107.04996	0.5
111.04510	0.7
114.58594	0.3
121.06616	2.8
121.34283	0.4
123.04532	0.6
125.06098	4.5
137.02422	0.4
137.06113	0.9
137.09737	15.2
138.10083	0.8
139.11319	3.6
147.65706	0.3
151.04013	4.0
152.04857	0.5
165.09258	0.9
165.12852	1.2
166.02699	1.0
177.01932	0.8
179.03532	1.1
180.04298	4.7
181.04585	0.4
191.10838	1.2
192.11565	2.9
193.12305	0.6
195.13921	0.8
205.12422	0.5
207.10284	0.8
217.08736	1.6
219.10249	0.4
221.08228	3.5
221.11929	0.9
221.15456	5.6
222.08913	1.9
222.15808	0.6
223.09598	0.7
233.08252	0.5
235.09753	44.1
236.10452	12.4
237.10721	0.7
245.19165	0.4
247.09709	2.2
248.10329	0.5
249.11281	3.7
249.18526	0.6
250.11668	0.5
259.17007	0.7
275.16931	0.4
275.20084	0.4
277.18082	1.4
285.05774	0.3
289.14221	0.5
301.14392	0.5
303.15906	0.7
315.23291	1.8
317.17801	0.5
317.21353	0.8
329.24869	0.4
330.21893	0.6
337.05103	0.3
343.19086	0.5
359.18167	0.6
359.22256	5.7
360.22586	0.8
373.20212	0.5
374.21143	0.8
399.29031	5.4
400.29361	0.8
443.28055	100.0
444.28403	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	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03448	1.4
59.18475	0.2
63.08643	0.3
69.03462	1.4
71.01401	0.3
71.05022	0.9
71.19159	0.5
73.01629	0.2
73.02949	0.2
81.03443	0.4
83.05026	1.2
92.93736	0.2
97.06590	0.5
99.08182	0.4
101.06094	0.3
109.06567	0.4
121.06607	2.2
121.10187	0.2
123.04536	1.4
125.06082	1.3
127.07663	2.0
135.04521	2.5
136.05351	1.2
137.06122	1.8
137.09741	18.3
138.10077	0.9
139.11302	2.3
151.04010	0.4
163.11296	0.6
165.09238	0.6
165.12866	0.7
166.02641	0.2
167.10823	0.3
175.11327	0.3
177.12791	0.3
180.04144	0.3
193.12392	0.4
195.13907	0.8
203.14478	0.7
205.12355	1.1
207.10243	0.4
210.90450	0.2
217.12338	0.5
221.11963	1.2
221.15443	1.9
235.09763	2.6
236.10338	0.6
247.13545	0.3
249.11522	0.2
249.52605	0.2
257.15466	1.0
259.17001	1.3
275.16550	3.2
277.18115	2.4
277.77411	0.2
278.18369	0.3
303.15921	0.4
315.23370	1.8
317.21307	0.5
331.36871	0.3
343.19043	0.4
359.22244	3.3
360.22375	0.4
393.57880	0.3
399.29050	1.2
425.27277	0.4
443.28030	100.0
444.28375	19.0
444.33038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2802
Annotation	Foetidinol
Peak:m/z	Relative Intensity
67.11607	0.4
69.38544	3.9
77.68198	0.3
79.01893	0.7
90.04723	0.3
95.05044	0.8
98.19829	0.8
107.05058	1.4
109.02959	0.4
109.06603	0.5
111.04506	0.6
121.06574	0.5
123.04541	4.1
125.06100	8.7
135.08167	0.6
137.02449	0.7
137.09750	1.1
149.02472	0.6
150.03247	0.4
151.04027	15.9
152.04337	0.7
158.68922	0.3
165.02040	0.4
165.05545	0.5
177.01958	2.8
177.09216	0.7
178.02637	0.6
179.03551	1.8
179.07187	2.7
180.04291	1.8
180.23564	0.4
191.10823	2.3
203.07158	0.5
205.05118	0.6
207.06514	0.5
207.10309	3.7
217.08716	6.5
218.09001	0.4
219.06662	0.8
219.10204	0.4
220.41956	0.4
221.08228	8.6
222.08684	1.0
223.09756	0.6
233.08109	0.5
235.09764	97.0
236.10146	8.7
247.09720	0.5
249.11317	0.8
261.15128	0.4
262.08466	2.7
263.09280	0.4
277.10526	0.4
289.14380	0.5
291.12225	0.4
292.13062	2.2
305.13971	6.8
306.14285	0.6
317.17270	0.4
374.20990	5.3
375.21295	0.7
399.28857	0.4
443.28036	100.0
444.28403	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	443.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
57.03447	1.1
59.01371	0.2
69.03451	1.4
70.29378	0.7
71.01392	0.3
71.05039	0.8
73.02943	0.2
81.03465	0.5
83.05029	0.7
85.06595	0.2
99.08171	1.8
101.06112	0.8
115.02919	0.1
121.06618	1.7
123.04560	1.4
123.08209	0.2
125.06097	2.3
127.07664	2.0
132.79236	0.1
133.10194	0.2
135.04547	3.0
136.05322	1.9
137.06119	1.8
137.09743	11.4
138.10100	0.6
139.11316	4.2
143.82143	0.1
149.06110	0.3
151.11282	0.4
163.11267	0.3
165.09247	0.4
165.12799	0.8
167.10764	0.5
175.11272	0.2
177.12804	0.4
179.14401	0.2
189.12933	0.1
193.12314	0.3
195.13937	0.8
203.14426	0.8
205.12320	1.0
205.16026	0.2
207.10268	0.3
217.12387	0.8
219.79945	0.1
221.12103	1.2
221.15451	6.0
222.15845	0.6
233.15778	0.1
235.09897	0.2
247.13368	0.2
257.15457	1.1
258.15939	0.2
259.16971	0.9
275.16504	3.6
276.16861	0.4
277.17957	1.3
278.17905	0.2
283.96445	0.2
315.19855	0.2
315.23303	0.9
316.23627	0.2
317.21219	0.7
341.21283	0.2
343.19144	0.4
359.22189	1.2
399.28922	0.6
425.26743	0.5
443.28024	100.0
444.28366	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29762	0.2
57.03423	0.2
58.36724	0.2
70.29153	0.7
72.62164	0.2
82.17638	0.2
91.33815	0.2
98.19904	0.3
123.04566	0.3
125.06067	0.8
137.02454	0.2
137.09686	0.3
138.03227	0.6
139.70872	0.2
151.04022	2.1
164.04840	1.3
165.01933	0.4
166.02744	3.4
175.11374	0.2
177.01967	0.8
177.05519	0.3
179.03514	1.5
180.04274	1.3
191.03516	0.7
192.04306	3.4
205.04979	0.2
205.08684	0.5
207.10303	0.4
217.08635	0.3
219.10260	0.6
220.11061	1.3
221.08128	0.2
222.08972	7.4
223.09560	0.9
233.08162	4.9
233.11726	0.3
234.08528	0.2
235.09750	28.2
236.10262	3.2
237.37572	0.3
247.09753	6.4
248.10515	7.6
249.10954	0.7
259.17017	0.7
261.11237	2.4
269.36557	0.3
275.20184	0.4
280.09326	0.2
285.14865	0.2
289.14581	0.4
303.16006	9.6
304.16461	1.5
317.17572	5.4
318.14651	0.7
318.17966	0.6
331.15436	0.6
331.19067	0.3
359.18573	0.7
359.22455	0.3
373.20175	0.5
374.21024	6.8
375.21289	1.1
399.29080	4.6
400.29428	0.6
439.06046	0.2
443.28021	100.0
444.28354	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	443.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83834	0.1
69.67905	1.2
94.21178	0.1
98.19832	0.2
119.57167	0.2
121.06603	0.2
121.42863	0.2
123.04456	0.1
125.06120	1.0
137.09712	0.2
142.54115	0.1
147.51889	0.2
151.04054	1.1
163.04002	0.2
164.04787	0.2
166.02705	1.4
177.01875	0.3
179.03458	0.5
180.04285	0.5
191.03500	0.6
192.04288	0.6
205.08813	0.2
207.10275	0.3
217.08809	0.5
219.10242	0.3
220.10994	0.4
221.08211	0.6
222.08981	4.1
223.09575	0.6
233.08177	4.9
234.08492	0.2
235.09752	16.8
236.10353	1.5
247.09746	3.7
248.10538	3.7
249.11121	0.3
257.15396	0.2
259.17084	0.2
261.11295	1.2
273.11349	0.4
275.20123	0.2
280.09540	0.2
289.14410	0.3
303.15994	5.4
303.19440	0.3
304.16519	0.6
316.16763	0.3
317.14252	0.2
317.17587	3.1
318.17969	0.3
331.15460	0.4
331.19028	0.3
357.20813	0.2
359.18735	0.4
373.19833	0.4
374.20956	4.1
375.21332	0.5
399.29080	2.5
400.29291	0.3
425.27136	0.2
443.28027	100.0
444.28363	10.3
463.21436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
65.11236	0.3
69.42125	2.9
72.54295	0.2
73.41123	0.3
97.23845	0.3
101.06152	0.3
125.06093	3.0
137.02454	0.5
137.09732	0.5
138.03236	0.2
151.04002	1.8
165.01942	0.6
165.05481	0.2
166.02745	2.3
180.04199	0.9
191.10712	0.3
193.08786	0.3
193.12325	0.4
205.08791	0.4
207.06653	0.4
217.08673	0.3
221.08192	5.5
222.08969	8.9
223.09496	1.6
223.17073	0.3
233.08150	1.0
233.11824	1.1
235.09750	15.1
236.10405	3.1
247.09718	6.1
248.10320	0.8
249.11290	0.6
261.11264	0.6
261.18408	0.3
271.16986	0.8
273.11319	0.5
273.18646	1.1
275.12784	0.3
299.16470	0.5
301.14410	0.3
303.15948	0.6
304.16727	0.5
313.14743	0.4
317.17575	21.3
318.17853	2.7
329.24850	0.8
331.15524	2.8
331.19177	0.7
332.15790	0.3
341.17587	5.3
342.17963	0.9
355.19202	0.8
356.19946	1.6
373.20279	0.3
374.20938	1.9
375.21201	0.3
399.29227	0.4
425.26993	0.6
443.28018	100.0
444.28369	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	443.2804
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.51781	0.4
61.09469	0.3
67.56872	0.3
69.86723	0.4
70.60335	0.4
71.72442	0.9
125.06094	4.1
133.06638	0.8
137.09735	0.5
151.04016	1.7
160.16763	0.4
166.02739	1.0
177.01930	0.4
177.05624	2.1
179.03548	0.7
180.04314	3.2
207.10339	0.8
217.08820	0.8
217.12320	0.4
219.06648	0.5
219.75659	0.4
221.08151	1.2
222.08986	3.4
223.09657	1.3
233.08165	1.6
233.11835	1.6
235.09760	36.3
236.10443	8.9
237.10944	0.4
243.10306	1.1
247.07353	0.7
247.09763	9.2
248.10466	2.6
249.11272	4.7
251.07922	0.4
259.17136	0.4
261.11307	40.1
262.11719	2.6
263.08914	0.4
289.14636	0.4
291.12323	0.5
301.14508	1.1
303.16028	2.9
317.17661	1.1
331.19226	2.5
343.14688	0.4
345.17294	0.6
357.20630	0.9
359.18536	0.6
373.20178	0.8
374.20969	2.1
375.20972	0.5
392.77988	0.4
399.29147	1.0
443.28049	100.0
444.22229	1.0
444.28351	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	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
69.66805	0.2
69.67164	1.8
79.01908	0.3
80.05819	0.2
97.06597	0.3
109.02958	0.3
123.04560	1.1
125.06105	3.5
137.09752	0.3
138.03235	0.5
151.04031	4.9
152.04684	0.4
155.17201	0.2
163.04050	0.2
165.02022	0.3
165.05531	0.4
165.12939	0.2
166.02737	1.0
177.01985	0.6
179.03531	0.8
180.04289	2.5
191.03418	0.2
191.10867	0.5
193.12425	0.4
205.12373	0.8
207.06624	1.1
207.10207	0.9
212.80775	0.2
217.08684	2.1
221.08214	3.6
222.08972	2.3
223.09657	0.8
229.08760	0.3
233.08179	1.0
235.09758	54.7
236.10400	9.0
237.10980	0.3
247.09746	4.6
248.10274	0.3
249.11337	5.6
249.18539	0.6
250.11601	0.4
257.15778	0.3
261.11200	1.4
266.35669	0.3
291.12485	0.4
301.14429	1.3
303.15964	0.3
317.14050	0.5
317.17554	0.8
341.17282	0.3
345.16879	0.5
357.20697	0.7
359.18591	0.8
373.20053	1.0
374.20825	1.3
375.21478	0.3
399.29074	0.8
443.28027	100.0
444.28381	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Foetidinol
Peak:m/z	Relative Intensity
51.99342	0.6
57.03453	1.3
59.01941	0.6
68.99826	1.4
69.70609	0.7
69.71581	1.2
69.71995	4.0
70.97630	0.6
71.05011	2.9
79.01894	1.1
81.07119	1.1
89.89696	0.7
99.08153	1.8
101.06092	1.7
107.05007	1.0
111.04533	4.0
123.04539	2.3
123.08211	1.3
125.06102	88.9
125.09721	2.9
126.06464	4.0
137.02522	0.8
151.04041	8.2
152.04393	0.7
163.04042	1.1
163.11284	0.8
165.12833	1.7
166.02724	1.1
177.01936	1.7
179.03525	2.1
180.04321	6.3
191.03473	1.1
193.08688	1.1
193.12346	1.1
195.06651	1.7
203.07140	2.2
207.06624	4.0
207.10245	2.4
208.07410	1.7
217.08682	1.6
219.06723	1.3
221.08203	57.4
222.08948	17.2
223.09390	1.7
223.17065	5.4
233.08096	3.4
235.06015	2.0
235.09761	40.9
235.13443	1.5
236.10452	8.1
247.09799	4.0
248.10388	0.9
249.11307	4.3
249.18639	4.0
261.11374	1.8
289.14304	0.9
317.13950	0.9
317.17526	1.0
317.21164	1.4
319.19180	11.0
320.19492	1.9
329.24860	0.7
331.11865	0.9
331.19080	0.8
341.21170	1.4
345.16882	1.2
359.18570	2.1
360.19254	1.1
399.29132	5.5
400.29465	1.0
424.56363	0.8
443.23434	33.2
443.27954	100.0
444.23560	5.4
444.29282	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	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50526	0.2
52.05465	0.2
59.98830	0.2
68.36785	0.2
69.66729	0.3
69.67222	1.1
69.67625	0.2
96.23409	0.2
99.08147	0.2
107.05070	0.3
110.03825	0.2
123.04552	0.7
125.06099	1.6
125.09779	0.3
151.04042	2.6
152.04767	0.2
162.72711	0.2
166.02742	0.4
177.01939	0.4
179.03531	0.8
180.04280	3.3
191.03571	0.2
191.10768	0.3
192.12793	0.2
205.12323	0.3
207.10223	0.9
217.08711	1.3
221.08205	2.0
222.08900	0.7
223.09663	0.3
231.10112	0.2
233.08249	0.2
235.09760	28.7
236.10455	7.5
237.10832	0.6
247.09708	1.5
248.10234	0.2
249.11284	2.1
249.18596	0.4
301.14389	0.2
359.22406	0.2
361.34732	0.2
372.85272	0.2
373.20053	0.3
374.20853	0.3
386.85583	0.2
392.63214	0.2
399.29034	0.4
432.87238	0.2
443.28030	100.0
444.28354	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	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33219	0.3
56.02715	0.3
69.89059	1.6
76.18419	0.3
77.70748	0.4
79.01902	0.9
109.02959	0.7
121.06613	0.4
123.04549	0.7
125.06113	3.5
132.27574	0.4
136.05315	0.5
143.26408	0.3
149.02414	0.5
150.03172	0.5
151.04028	1.2
154.17969	0.4
163.04018	2.5
164.04771	0.7
165.02017	0.6
165.05580	0.7
166.02725	1.4
177.01935	1.1
179.03467	2.0
180.04240	0.6
189.01953	0.7
191.03523	9.1
192.04073	0.8
193.04997	0.8
193.08322	0.3
193.14999	0.3
203.07130	0.6
203.10793	0.6
205.05115	0.8
205.08661	0.4
205.12305	0.6
207.06610	0.4
207.36877	0.4
217.08791	0.4
218.05836	0.4
219.06621	1.6
219.10216	1.8
220.11072	0.7
221.08203	3.5
222.08948	3.3
229.08688	1.2
233.08202	9.0
234.08797	0.7
235.06042	1.0
235.09756	13.1
236.10251	1.3
247.09747	32.0
248.10365	4.3
249.11282	2.9
261.11246	1.1
287.12885	0.6
291.12396	2.4
292.12711	0.6
301.14471	1.1
303.12592	0.7
303.16043	3.1
304.16522	0.5
317.13953	1.2
317.17645	2.6
318.14679	1.5
331.15683	0.9
331.19415	0.5
357.20731	1.6
359.18610	5.7
360.19003	0.8
373.20316	1.0
374.20950	3.6
375.21555	0.7
399.29230	0.9
400.29477	0.4
443.28040	100.0
444.28357	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	443.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.7
69.34013	0.4
70.47017	1.1
71.05055	0.5
97.06604	4.0
99.08207	1.2
107.05056	0.7
111.04545	3.9
121.06586	0.6
123.04590	1.3
123.08217	0.4
125.06108	5.5
125.09734	3.3
129.18246	0.4
136.46536	0.4
137.09782	0.4
151.04047	5.4
152.04399	0.4
153.09229	0.7
156.00002	0.4
165.05597	0.6
165.09163	0.5
166.02763	1.4
177.02019	0.9
177.09221	0.5
177.42882	0.4
179.03470	1.0
180.04295	2.7
183.38017	0.5
189.09279	0.6
191.07164	0.4
191.10788	0.9
193.05029	0.4
193.08739	1.7
203.07158	1.9
205.12361	1.5
207.06625	3.3
207.10316	1.7
208.07434	2.2
219.06630	0.7
221.08205	57.9
222.08937	19.5
223.09367	1.2
233.08188	2.6
235.09740	6.0
247.09749	1.8
249.11311	0.6
275.12915	3.3
275.20142	0.6
276.13522	0.5
304.13177	0.5
317.13870	0.6
317.17377	0.5
336.28311	0.5
341.21033	1.1
343.19128	0.7
357.24396	1.5
359.18478	0.7
360.19345	1.0
361.20276	1.3
399.25696	0.9
437.61136	0.5
443.24176	100.0
444.24521	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	443.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03521	0.6
63.42871	0.4
69.67002	0.9
69.67406	2.7
79.02014	1.1
83.05096	0.9
85.06673	0.6
87.04623	0.4
93.32684	0.4
96.11517	0.3
107.05108	0.6
109.06684	0.7
111.04533	4.7
111.08302	1.2
123.04562	1.8
123.08285	0.4
125.06123	3.1
135.04565	0.7
149.09782	0.4
149.34090	0.4
151.04034	10.7
152.04715	0.6
163.04118	0.6
163.07854	0.4
165.02032	0.4
165.05658	1.4
165.09285	0.9
166.02754	2.0
177.01987	1.8
177.09280	0.9
178.16644	0.4
179.03516	2.1
179.07199	0.5
180.04320	6.2
191.03619	0.6
191.10904	0.4
193.08740	1.9
195.06677	2.2
203.07167	3.7
205.08829	0.5
205.12410	0.5
207.06647	6.9
207.10338	0.7
208.07382	3.2
209.08315	0.9
217.08719	0.9
219.06592	0.9
221.08209	96.0
222.08925	29.3
223.09338	2.4
233.08199	5.0
234.08597	0.5
234.69647	0.4
235.06033	1.3
235.09769	23.1
236.10414	4.1
247.09776	3.3
248.10245	0.4
249.11292	2.8
289.14276	1.2
303.15915	1.3
317.13666	0.9
317.17209	0.6
331.11752	0.8
359.18286	1.5
360.19022	1.6
374.20840	0.7
443.23764	100.0
444.24152	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	443.1919
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01881	0.5
57.03446	1.5
58.00597	0.8
59.01381	21.5
61.98831	25.5
68.99802	0.5
70.13950	1.9
71.01385	11.3
72.99303	3.6
73.02963	0.9
75.00880	4.6
83.01396	1.3
83.05061	0.8
85.02959	4.0
85.06613	1.0
87.00890	1.7
87.04536	1.8
88.98848	0.8
89.02457	8.8
94.10597	0.4
95.01434	1.0
95.05054	0.9
96.49431	0.4
96.96065	0.4
97.02983	0.9
97.06646	0.5
99.00928	1.0
101.02458	8.1
107.05064	0.5
107.08737	0.4
108.02184	0.4
109.03006	1.5
109.06624	1.4
111.04534	2.5
113.02459	4.2
113.06092	4.1
113.06631	0.3
119.03499	3.0
120.99634	0.5
122.03754	0.5
123.04582	3.2
123.08212	0.6
125.02474	3.5
125.06143	1.0
134.03822	0.7
135.04578	1.6
137.02460	16.3
137.06154	0.7
138.02843	0.7
139.04088	0.8
141.05598	9.9
150.06873	0.6
151.00452	0.9
151.03996	1.1
151.07674	14.2
152.01233	0.5
152.08008	1.2
153.09238	1.2
159.04524	0.6
161.02438	1.1
163.04007	0.5
174.07121	0.4
175.07721	0.4
175.11319	0.5
177.05612	1.7
177.09207	0.9
178.06326	1.5
179.03677	0.7
179.07149	19.4
180.04330	1.3
180.07841	1.8
181.08711	0.8
181.14603	0.5
191.05681	1.1
193.05009	0.6
193.08778	0.5
195.06659	1.9
207.10329	0.9
209.08311	0.8
219.10400	0.6
219.13942	0.4
221.08221	1.2
221.11591	0.4
221.15501	0.7
222.09160	1.2
223.38347	0.4
235.09763	11.2
236.10483	4.0
237.06067	2.5
245.04524	4.8
245.11853	0.8
247.13461	1.5
249.11382	1.4
263.12860	3.9
265.14447	10.5
266.14905	0.8
267.07404	0.9
269.04535	1.0
281.10281	3.9
298.18594	0.4
299.07825	2.4
341.08795	1.1
381.18835	0.5
383.18192	1.2
399.12970	9.1
399.18051	0.6
400.13287	0.7
407.09891	2.4
407.17368	0.5
425.18744	1.9
443.19360	100.0
443.28137	15.2
444.19653	13.9
444.28500	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.07207	0.3
55.01884	1.9
57.03437	1.5
58.00599	1.7
59.01382	35.8
60.01702	0.4
60.99299	2.3
61.98812	0.4
63.98960	0.4
71.01387	26.3
71.44358	0.4
71.44697	0.7
72.01701	0.5
72.99287	1.7
73.02585	0.5
73.02957	4.9
75.00883	0.6
83.01395	3.7
83.05032	0.5
83.80618	0.3
85.02960	9.1
87.00880	1.1
88.98252	0.6
88.98817	15.4
89.02455	16.8
90.40473	0.3
93.03487	0.3
95.01391	2.0
96.96012	1.9
97.02964	0.4
99.00895	1.6
101.02455	19.7
102.02785	0.6
111.04558	1.8
113.02475	8.4
114.19590	0.3
119.03529	5.7
123.08114	0.6
131.03523	0.6
143.03467	0.4
149.04622	0.4
151.03989	0.7
159.03047	0.5
161.04552	0.9
171.11858	0.4
173.04532	0.7
179.03471	0.6
179.05714	0.5
189.12872	1.3
191.05634	9.3
192.05986	0.6
209.76598	0.4
219.13879	1.0
221.08052	0.7
230.47609	0.3
235.09727	2.4
236.10591	0.5
237.15060	0.8
245.04504	0.7
249.11047	0.5
274.85559	0.3
281.10474	0.6
281.13937	0.5
353.08752	2.0
443.19226	100.0
443.27994	4.0
444.19565	15.8
444.26376	0.4
444.28613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
60.99310	15.9
69.47733	0.5
70.54544	1.6
71.01379	1.6
79.76101	0.4
85.02959	3.3
87.00883	1.3
88.98819	100.0
89.02442	0.6
89.99169	1.3
93.03475	1.2
95.60571	0.5
96.96042	0.8
101.02431	1.1
111.04575	1.3
119.03564	0.8
125.06159	0.5
127.04034	1.3
129.31914	0.4
135.04520	0.5
151.04045	0.5
161.02448	1.1
173.04541	0.6
191.05634	64.1
192.06001	2.8
221.08182	0.9
235.09793	7.4
236.10492	2.5
267.58405	0.4
290.81116	0.5
353.08752	9.2
354.09082	1.0
387.89240	0.5
443.19257	6.8
443.28497	4.3
444.19769	0.7
444.28091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01381	100.0
60.01723	1.4
60.51957	0.3
61.98833	21.6
63.99273	0.5
64.57803	0.3
64.63115	0.3
69.84632	2.7
71.48363	0.4
73.02944	0.4
99.04533	1.0
99.80646	0.3
109.02992	0.8
121.06608	2.1
123.08214	0.6
137.06154	0.4
137.09721	0.9
139.07631	0.4
141.09221	2.4
147.08159	0.6
151.07693	0.7
153.09238	0.4
165.05672	0.5
165.09247	2.0
167.10776	5.8
167.12073	0.4
168.11041	0.7
171.10332	0.7
179.07170	0.7
197.08243	0.4
201.12943	0.4
212.82878	0.3
219.13916	0.9
221.73438	0.4
232.62007	0.4
235.17014	0.4
245.19019	0.5
247.17091	1.2
263.16632	0.9
269.04474	0.5
271.17044	0.7
289.18076	7.6
290.18515	1.1
378.20032	3.7
379.20288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01380	100.0
60.01704	1.2
61.98833	4.2
71.04722	0.8
73.02972	0.4
79.79810	0.3
81.05188	0.3
95.05034	0.4
95.96615	0.3
99.04562	0.8
109.06643	0.6
110.03761	0.4
111.04594	0.4
112.86643	0.4
121.06599	1.7
123.08212	0.7
137.09761	0.8
141.09239	1.8
147.08205	0.9
153.09244	0.4
165.09267	2.1
167.10783	4.2
172.93512	0.4
181.05244	0.4
213.11317	0.4
219.06702	0.6
233.08495	0.4
245.18971	0.4
247.17168	1.4
263.16623	0.4
265.10938	0.5
271.17139	0.5
289.18057	7.4
290.18576	1.0
303.16025	0.7
327.08856	0.7
361.20480	0.6
379.21451	2.6
387.06790	0.6
397.03912	0.6
441.04169	1.7
441.11682	0.7
441.26819	3.2
442.27469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2285
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
57.03447	1.5
59.01395	0.4
61.98829	2.5
68.40491	0.3
70.48172	1.0
79.01914	0.9
98.20518	0.4
107.05043	0.5
109.03033	0.5
111.04541	5.0
114.90877	0.3
119.05103	0.4
121.06602	2.4
123.08180	2.5
137.02480	0.9
138.03281	1.6
139.04048	1.1
147.04541	2.9
149.06075	0.4
151.04039	0.5
159.08162	3.3
163.07617	0.5
165.01993	1.2
165.05698	0.4
165.09248	0.4
166.02737	4.4
166.06421	0.8
167.07173	1.5
175.07645	0.6
179.07097	0.7
185.06137	0.5
187.07666	1.2
188.04851	1.3
189.05661	0.8
191.07242	0.4
193.05022	2.2
194.05814	1.0
198.05257	0.7
199.07654	0.7
201.09198	0.7
202.06361	0.9
203.07152	3.6
205.05196	0.4
207.06636	6.7
208.07413	26.0
209.07851	2.3
215.06956	0.4
215.10799	0.4
217.08687	0.6
219.06595	0.9
221.08224	0.5
227.07117	0.7
231.06664	0.7
233.08211	1.3
233.15540	0.6
243.06758	0.4
243.13792	0.5
245.08147	1.6
245.11876	0.8
246.05392	0.6
248.06908	0.8
257.11826	0.9
259.06250	0.6
259.09735	1.4
259.13403	0.4
261.07590	0.6
269.11874	1.6
271.13379	3.1
272.13739	0.4
273.07642	0.6
273.11276	0.9
277.14374	2.3
287.12894	3.2
297.11337	0.6
301.10834	5.4
301.14288	0.6
302.11481	3.0
303.12204	0.8
313.14243	0.4
314.11636	0.9
315.12372	46.4
316.12723	4.6
329.10184	0.5
329.13852	0.4
357.13419	0.9
372.15768	18.0
373.16061	2.3
379.21338	3.4
389.52716	0.4
426.16852	1.0
441.22791	100.0
442.23141	18.7
445.65302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
57.03456	2.7
58.00587	1.0
59.01381	47.3
61.98835	28.7
69.03450	1.5
69.95504	2.6
69.95913	3.9
70.60511	1.0
71.01385	36.4
71.03705	1.0
72.33674	1.2
72.99319	2.2
73.02950	14.9
78.81146	1.0
82.30246	1.2
83.01398	9.8
85.02958	23.5
87.00893	3.1
89.02448	8.7
95.01373	1.4
97.02975	2.1
99.00870	6.5
101.02458	47.0
111.00904	2.1
113.02470	17.3
115.95288	0.9
123.04506	1.3
125.02473	2.9
131.03520	3.2
135.04555	4.5
141.87404	1.1
143.03528	1.2
145.47754	1.1
151.00386	1.3
159.03038	4.3
161.04581	13.3
184.07829	1.2
191.05592	2.7
193.04994	1.5
193.29964	1.1
205.03496	1.4
249.13432	97.1
250.13719	6.0
381.17670	100.0
382.18069	11.0
431.63516	1.1
441.17438	2.0
441.21512	1.4
441.26282	8.0
442.16879	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	441.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68734	1.2
59.01382	17.7
61.98829	11.2
65.01797	1.3
70.19023	1.2
71.01397	9.3
71.48111	3.0
72.99308	8.8
78.95898	1.6
79.95757	2.3
83.01357	1.4
85.02972	3.5
88.98818	2.3
89.02445	9.3
96.96026	100.0
101.02504	6.8
109.69421	1.1
113.02465	4.0
119.03510	4.2
119.08684	5.7
119.31349	1.3
123.04523	2.1
125.02461	2.5
137.09753	8.1
149.02512	2.4
150.03215	5.9
151.03662	2.4
152.03738	1.8
163.36234	1.3
165.01956	2.4
165.05579	3.6
166.02184	1.7
166.05875	2.4
167.03502	1.9
167.06059	2.7
180.04285	2.1
188.04158	1.5
191.05508	2.5
195.06665	7.2
196.07002	5.2
197.07227	5.4
199.09790	1.3
219.06670	2.0
245.34090	1.4
353.12918	2.2
361.14963	14.7
362.15598	1.5
389.22287	1.3
441.10693	47.3
441.19040	25.2
441.26468	5.7
442.10367	6.3
442.19461	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31297	0.4
55.01877	2.3
57.03443	2.2
58.00593	1.2
59.01378	81.4
60.01719	0.7
60.15596	0.4
61.51519	0.4
61.98830	4.3
71.01384	25.6
71.71559	0.6
71.71941	0.5
72.01720	0.6
72.99326	1.9
73.02951	11.7
74.05388	0.4
74.99102	0.4
75.00887	0.9
75.31326	0.4
78.95893	0.4
83.01392	6.3
83.98903	0.4
85.02958	15.8
86.00121	0.6
87.00877	2.1
88.61521	0.5
89.02441	4.0
92.95561	0.4
95.01413	1.8
97.02967	1.1
99.00894	6.3
101.02455	38.0
102.02802	1.0
109.02951	0.5
111.00902	0.8
113.02459	12.4
114.02851	0.7
118.43449	0.4
119.03530	0.5
124.80389	0.4
125.02502	2.1
125.06129	0.6
128.03625	0.5
129.01976	1.3
129.80559	0.4
131.03517	43.0
132.03868	1.2
135.04523	0.7
135.58521	0.3
136.99167	0.5
139.07671	1.2
143.03537	1.6
151.00441	0.7
153.01869	0.4
157.08904	0.5
159.03029	2.7
161.02487	0.5
161.04558	10.9
162.04991	0.7
191.05600	0.5
209.11995	0.5
219.06595	0.4
224.59294	0.4
231.12071	0.4
235.15570	0.5
241.80811	0.4
249.13417	100.0
250.13744	7.9
273.11813	0.4
279.12326	1.0
291.14526	0.6
314.18585	0.5
381.17645	35.4
382.17978	4.2
410.62140	0.5
441.18173	1.5
441.20840	1.9
441.26620	1.8
442.18771	0.3
442.21268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.3
59.01381	100.0
60.01715	1.2
61.98836	4.0
71.01390	2.4
71.71744	0.3
71.72140	0.4
85.02964	0.8
89.02464	2.5
93.03468	0.3
99.04543	0.4
101.02474	1.0
105.32915	0.3
111.04618	0.3
113.02484	0.7
116.75293	0.2
119.03516	0.7
121.02978	23.5
122.03333	0.8
123.08206	0.3
125.02437	0.5
125.06092	0.4
135.04581	0.3
135.08189	2.5
137.02573	0.5
138.41748	0.3
143.03571	0.4
151.00441	0.3
153.05562	0.3
161.04610	0.4
179.05603	0.3
190.35257	0.3
191.05699	0.7
193.05122	0.8
207.06699	0.6
219.06738	0.8
221.04605	0.7
222.05241	0.5
229.01355	0.4
233.08269	0.6
237.11400	0.3
291.73062	0.3
323.05975	0.3
332.68878	0.3
333.17249	0.3
441.08505	0.5
441.13995	0.5
441.21381	0.4
441.26620	3.2
442.26804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18395	0.3
59.01381	50.7
60.01724	0.6
61.98838	1.3
66.89632	0.4
70.14455	1.7
71.01376	3.0
73.02940	0.5
83.05033	0.4
85.02960	1.6
89.02478	1.7
92.43050	0.4
93.03485	0.6
95.01416	0.5
97.02967	21.9
98.03289	0.8
101.01871	0.4
101.02419	2.2
111.04523	0.4
113.02493	3.2
119.03511	1.0
121.02973	100.0
122.03311	4.7
124.01688	3.8
125.02041	1.3
125.06140	0.4
126.02142	0.8
133.06613	0.7
134.97581	0.3
139.00380	1.1
139.04012	3.4
140.04373	1.1
141.04492	0.6
152.24661	0.4
153.01942	0.5
157.06665	0.5
161.04579	0.8
175.07658	1.5
190.51468	0.4
191.05592	0.4
219.06644	16.8
220.06912	1.2
241.77951	0.4
264.05301	0.4
277.07059	1.4
278.07504	1.0
279.07773	2.2
362.69659	0.4
441.12985	0.5
441.26358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83913	0.1
52.28555	0.1
57.03442	0.2
59.01381	10.7
61.98835	0.9
63.02419	0.2
65.00334	0.3
65.10625	0.1
69.77029	0.3
69.77444	0.8
71.01385	0.4
72.37797	0.1
78.95924	0.2
79.26275	0.1
83.57629	0.1
85.03004	0.1
87.00877	0.3
89.02459	0.4
89.89394	0.1
93.03451	0.2
96.62175	0.1
96.95945	0.1
98.20628	0.2
101.02486	0.2
107.01413	0.2
109.02953	0.1
109.06619	0.1
111.04569	0.2
124.01698	0.2
125.02459	0.2
125.06057	0.2
138.96010	0.1
149.02484	0.3
151.00269	0.2
151.07666	0.2
160.05325	0.2
161.02470	0.2
175.07596	0.5
183.06653	0.6
203.03505	1.6
204.04282	6.7
205.04677	0.6
207.06638	0.2
218.05972	0.2
219.06636	100.0
220.06973	7.9
233.08191	0.2
241.08453	0.2
243.03001	1.0
261.07706	0.3
279.12430	0.2
381.11819	0.7
405.21298	0.4
423.20294	0.5
441.21289	0.6
441.26669	0.6
459.00443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54059	0.2
57.03439	0.5
59.01085	0.4
59.01379	7.1
61.98833	100.0
64.31737	0.2
70.47498	0.6
70.47894	0.5
73.63434	0.2
95.05042	0.3
109.02990	0.4
111.04576	0.8
121.06621	0.4
123.04518	0.7
135.08197	0.4
137.06145	0.5
137.09753	0.3
151.07713	0.7
153.09274	0.7
162.07014	0.3
171.10388	0.3
177.09277	1.0
178.06285	0.3
179.07207	1.6
181.05135	0.6
181.08815	0.3
191.03557	0.3
193.08727	1.5
195.06685	1.3
197.08258	1.5
206.05913	0.3
207.10371	0.7
221.08238	1.8
223.06157	0.7
235.09705	1.2
247.13455	0.5
289.18246	0.4
304.33588	0.2
321.17169	0.2
359.18900	0.3
377.19714	13.1
378.19885	1.8
441.22971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01370	0.7
61.98835	100.0
70.04089	0.8
70.04498	0.4
70.50016	0.2
71.05040	0.5
111.85694	0.2
151.11333	3.0
163.11365	0.2
219.17586	1.8
221.15562	1.1
271.20700	0.2
289.21738	19.5
290.22104	2.8
323.37033	0.3
333.20786	2.8
334.21002	0.5
441.26682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01377	1.0
59.01640	0.2
60.71790	0.2
61.98833	100.0
62.98547	0.2
71.01380	0.2
71.05044	0.5
77.52246	0.2
83.05013	0.2
97.06605	0.2
98.20606	0.5
102.01161	0.2
111.04563	0.3
112.39189	0.2
125.06101	2.6
126.06413	1.2
127.06545	0.2
135.94197	0.2
177.45886	0.2
191.10759	0.2
195.06696	0.2
209.08107	0.3
213.32335	0.2
219.17619	0.3
222.08922	0.4
223.09474	0.3
235.09837	0.2
283.07922	0.2
289.21707	0.4
333.20776	1.8
334.21265	0.2
336.15366	0.8
409.18985	0.3
441.21387	0.3
441.26474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56208	0.2
57.03444	0.2
59.01380	1.9
61.98832	100.0
65.00342	0.3
71.01389	0.9
73.02988	0.2
74.99126	0.3
76.93584	0.2
78.95949	0.3
81.03476	0.3
83.01409	0.3
83.53271	0.3
85.02961	0.8
87.00918	0.4
89.02448	0.6
93.03464	0.4
95.01471	0.2
96.96014	0.4
97.02960	0.2
98.20654	0.9
99.00885	0.4
99.04519	0.2
101.02491	0.6
107.01457	0.4
108.68600	0.2
109.02975	0.3
111.00984	0.3
113.02453	0.5
123.04551	0.6
125.02501	1.3
125.06056	0.3
135.04555	2.7
136.99075	0.2
137.02470	0.4
142.05174	0.4
147.04582	0.2
149.02461	0.4
149.09348	0.2
151.00420	1.1
151.04077	0.3
159.03339	0.2
159.04549	0.9
161.02477	1.0
165.01930	0.3
167.03561	0.3
177.05594	0.3
191.05640	0.7
201.05672	0.7
203.32034	0.2
209.08253	0.5
219.06795	0.4
227.03622	0.3
245.04558	11.7
246.04962	1.1
249.13567	0.5
278.10446	0.6
289.07367	0.4
321.09845	0.2
337.10602	0.3
377.08786	3.0
378.09146	0.4
381.17905	0.8
440.15356	0.9
440.20474	0.7
441.21393	1.5
441.26862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00884	0.9
52.01118	0.9
55.01867	2.5
57.01339	0.8
57.03450	36.1
59.01383	17.9
60.01711	1.1
61.98833	10.3
65.29902	0.7
67.01899	0.9
68.99823	18.9
69.03446	4.6
71.01389	6.0
71.05070	1.1
72.99317	0.8
73.02949	2.8
73.91300	0.9
81.03469	9.5
83.01396	31.0
83.05029	3.3
84.01703	1.7
84.02169	9.8
85.02960	8.3
87.00885	20.5
89.02443	1.0
93.03454	1.5
95.05062	2.4
96.96009	1.2
97.02946	4.5
98.19814	1.6
99.00870	1.9
99.04546	4.7
101.02458	3.0
102.02801	1.2
107.05036	1.3
107.73555	0.9
108.02238	1.0
108.66735	0.8
109.02966	3.3
111.00906	9.7
111.04530	2.3
113.02451	3.1
121.02953	1.9
122.03737	1.5
123.00892	5.5
123.04546	4.3
123.05546	0.8
124.01687	2.3
125.02473	14.5
125.06076	1.5
127.04034	1.8
131.03519	1.4
135.04546	2.1
137.02495	4.4
137.06125	2.1
137.09782	1.0
138.03191	2.9
139.00333	0.9
139.04018	4.4
149.06099	1.0
150.03270	3.9
151.03993	2.4
153.01965	1.5
153.05650	1.5
163.03992	4.8
165.05614	1.2
167.03531	15.0
168.04253	1.7
176.04814	3.0
177.05592	1.2
179.03624	1.5
180.04272	1.3
181.05109	8.1
187.09763	1.8
193.05061	1.1
193.12392	2.2
195.06671	1.2
209.15536	2.2
229.45732	1.1
231.13763	1.2
233.15520	1.5
235.13390	2.5
247.13139	1.1
249.11255	1.1
249.14911	3.0
258.24323	0.8
259.13266	1.5
263.12885	18.1
264.13171	2.2
265.10800	6.7
275.12857	2.1
275.16251	0.9
277.11304	1.8
277.14447	29.4
278.14734	3.2
282.11008	1.2
291.15988	2.1
292.16663	1.1
293.13892	7.5
294.11090	58.0
295.11566	6.6
301.14386	9.4
302.15060	5.1
303.15891	2.1
305.13956	19.8
305.19489	1.2
306.14240	2.6
306.20044	1.0
307.20187	3.3
319.11771	1.5
319.15518	28.6
320.16260	30.3
321.13333	2.5
321.16586	2.9
333.17020	1.8
335.18698	1.0
344.60477	0.9
351.18277	2.8
363.14493	12.9
364.15109	1.5
407.16867	1.5
421.18753	1.3
439.19699	100.0
440.19986	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	81.2
59.01381	8.0
61.05929	1.8
61.98829	32.9
68.99808	12.2
69.96037	10.6
71.05009	2.0
78.75050	1.8
81.03466	6.4
81.28541	2.0
85.02959	5.7
87.04536	1.9
93.03465	4.0
94.04256	26.2
95.05038	3.5
96.96040	2.4
97.06610	2.6
99.04527	6.7
99.08182	2.9
107.05043	5.0
109.02958	3.1
109.06609	2.2
123.04544	4.9
125.02525	2.9
125.06091	31.9
127.07670	3.9
135.04597	2.2
137.02417	3.8
137.06133	2.9
138.03285	6.9
151.04094	2.0
154.59685	2.3
167.03534	2.5
169.08737	3.2
178.82947	1.9
179.03545	2.6
179.07146	2.5
182.02260	2.0
189.05632	2.0
189.09140	2.5
191.10742	2.8
193.08727	19.0
195.06601	6.2
207.08296	4.7
207.10274	100.0
208.10605	4.6
209.08174	6.1
211.13432	2.2
219.10205	14.1
220.11084	13.1
221.08179	6.0
221.11592	2.1
235.09790	4.5
236.10339	2.8
238.08453	8.8
247.09761	3.7
249.07645	3.8
251.09225	2.2
263.09244	38.9
264.10028	17.3
289.31531	2.4
296.08945	14.6
299.01959	8.7
307.11926	7.7
333.76083	2.0
342.07385	4.4
379.17734	4.9
439.14197	2.8
439.19553	63.5
440.19696	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	439.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02435	0.5
57.03445	4.5
59.01377	3.5
61.98833	100.0
68.99823	3.8
69.03452	1.3
71.05050	1.6
72.99315	0.7
79.01896	1.1
81.07127	1.6
83.01369	0.7
83.05051	1.7
85.02963	2.3
87.00895	1.1
87.04519	0.8
93.03475	1.0
96.96017	0.9
96.96989	0.7
97.02962	1.4
97.06628	1.3
99.08168	1.5
101.06116	1.6
107.05055	2.1
109.02979	1.7
109.06625	1.6
111.00893	2.3
111.04539	3.3
121.06627	1.5
123.00906	1.3
123.08166	1.7
125.02470	1.4
125.06104	91.6
126.06446	3.3
133.06592	0.7
135.04495	0.9
137.02501	1.9
137.09747	1.7
139.04021	2.1
141.01967	1.0
144.45465	0.6
149.06017	0.8
151.00439	0.8
151.04050	0.8
152.04813	1.2
163.07640	1.3
164.04752	0.6
165.05531	3.2
165.09221	0.7
167.07256	0.5
169.08740	1.0
177.09268	1.3
179.03557	1.4
179.07149	6.1
180.07813	0.6
181.08772	1.1
183.06602	0.9
184.03789	0.6
191.05656	1.2
193.04930	0.7
193.08708	11.3
193.12486	0.7
194.09297	0.8
195.06647	11.2
195.10268	1.0
196.06967	0.7
197.04568	6.3
207.06615	4.9
207.10170	1.2
207.13852	1.2
208.07353	4.3
209.08177	3.8
209.11832	0.7
212.06918	2.3
219.10280	0.8
220.10847	0.6
221.08154	4.3
222.08977	11.4
223.09753	7.8
225.07587	1.1
226.08469	4.9
233.11729	1.2
235.09711	3.2
237.11279	1.6
245.11966	0.8
251.09203	1.1
251.12907	1.6
259.01550	0.8
263.09326	1.3
265.10693	1.1
269.11398	0.5
275.12912	0.6
291.12387	8.5
292.12689	1.1
317.13925	2.0
317.17542	1.0
331.15390	2.6
333.17004	1.2
333.20639	2.4
335.15021	26.3
336.15393	4.2
345.17148	0.8
359.18555	0.8
361.16400	0.9
361.20337	0.9
377.19794	2.2
379.17609	0.7
405.19168	2.0
421.18478	1.1
439.23071	0.8
440.19592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75154	0.4
56.07634	0.4
59.01380	7.0
61.98828	2.3
65.18857	0.3
69.60890	1.0
69.61308	2.1
71.01382	2.2
72.99337	0.4
73.02957	0.8
75.00899	0.6
85.02984	0.7
89.02457	2.5
93.03480	1.9
96.96056	0.3
101.02477	1.2
113.02511	0.9
119.03490	0.4
121.02962	2.8
122.03754	7.6
123.00870	0.5
123.04541	0.5
125.02467	1.3
131.03499	2.1
133.02974	0.8
136.01663	1.0
137.02449	3.6
137.06108	0.8
147.27682	0.4
149.02461	19.9
149.04399	0.6
149.05998	0.4
150.03247	51.1
151.03607	2.6
161.04552	0.5
164.04846	5.4
165.01958	25.9
165.05586	56.2
166.02350	1.2
166.05939	3.0
179.03517	0.5
179.05592	1.2
180.04303	26.7
181.04834	2.4
183.06665	0.6
191.05559	1.0
195.06641	100.0
196.06973	6.8
205.05051	0.4
232.25298	0.4
240.99231	0.4
243.08775	4.2
247.12024	0.9
273.07642	0.4
277.12918	0.7
301.07312	2.4
315.08746	0.7
316.05997	0.5
316.09384	2.3
331.11856	8.1
332.12073	0.9
379.15952	2.1
391.14001	16.1
392.14322	2.3
439.15845	5.0
440.16513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96069	0.4
58.02551	0.4
59.01382	3.1
61.98835	4.2
71.01407	1.3
71.71731	0.4
71.72150	0.5
74.76589	0.3
75.00899	0.9
83.01418	0.5
85.02969	0.7
85.09798	0.4
85.59344	0.3
88.98824	1.3
89.02454	0.5
93.03468	1.8
96.96031	0.7
96.97001	0.4
97.02972	0.6
101.02459	0.8
109.02980	0.4
119.03499	0.4
120.01279	0.5
120.44153	0.4
120.99681	1.4
121.03008	2.2
122.03773	7.0
123.04555	0.8
124.77043	0.4
125.02453	1.3
129.57820	0.4
133.02943	0.7
135.04555	1.1
136.01685	0.7
137.02470	3.7
141.02005	0.6
149.02457	11.6
149.04472	0.6
150.03246	61.6
151.00427	0.6
151.03635	3.0
156.04831	0.4
161.02464	0.9
161.73018	0.4
163.04002	0.8
164.04785	2.5
165.01949	21.2
165.05589	69.1
166.02295	0.9
166.05917	2.5
177.02039	0.5
177.19421	0.4
179.03510	1.0
180.02702	1.0
180.04295	19.7
181.04689	0.8
182.79221	0.4
189.01855	0.7
189.05707	0.4
191.03607	0.5
191.05621	1.5
195.06641	100.0
196.06998	5.6
225.07639	0.8
243.08723	1.5
277.03525	0.6
281.52673	0.4
289.07080	1.3
303.07297	0.9
317.03510	0.4
331.11700	0.6
391.13831	0.9
439.09946	1.2
439.16815	3.9
440.16922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90594	0.2
54.08975	0.2
59.01369	0.3
62.96406	0.2
70.40910	1.2
78.95912	47.3
79.95737	1.5
80.50915	0.3
96.96033	90.9
96.96973	100.0
136.63284	0.3
161.55849	0.3
209.62286	0.3
309.30890	0.3
321.04855	0.3
439.08475	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	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17251	0.2
62.78826	0.3
69.81386	1.2
69.81798	0.8
78.95911	42.6
83.56744	0.3
91.49201	0.3
96.92281	0.3
96.96024	32.6
96.96973	100.0
98.19844	0.5
171.59566	0.3
264.97989	0.4
276.78937	0.3
283.11438	0.3
307.33875	0.3
341.10742	0.4
439.08435	2.1
460.34750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.125
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
59.01386	0.5
61.98834	0.6
69.52005	1.9
69.52417	0.6
85.02961	0.4
87.04542	0.3
88.98827	1.2
95.01408	1.0
98.20570	0.6
106.14692	0.3
108.02194	5.2
110.00121	2.2
111.00895	4.9
112.27068	0.2
123.00903	10.1
123.04538	4.3
124.01681	100.0
125.02028	2.1
125.02481	2.6
126.02761	0.3
128.70782	0.3
137.99632	1.0
138.03262	0.9
139.00404	40.4
139.04031	97.9
140.00768	1.2
140.04384	4.8
152.01215	0.3
153.01958	17.6
154.02737	2.9
210.96838	0.3
218.02229	0.5
233.04633	0.3
261.04007	1.2
262.04803	12.4
263.05191	1.1
277.07169	90.4
278.07526	8.3
300.07138	0.3
316.08078	0.6
317.02869	0.3
323.22070	1.4
343.96051	0.3
424.09949	0.6
439.12463	30.4
440.12823	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	439.1248
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
57.03447	0.6
59.01385	3.0
61.98838	3.5
68.99842	0.3
71.01381	1.2
71.72270	0.4
71.72625	0.3
73.02940	0.5
78.85408	0.3
85.02962	1.0
87.00915	0.3
87.04512	0.7
88.98798	0.4
89.02475	0.6
95.01398	1.0
96.96014	0.6
99.04539	0.4
101.02469	0.6
105.82629	0.3
108.02179	3.7
110.00111	1.7
111.00899	3.8
113.02447	0.5
123.00899	8.1
123.04541	5.6
124.01681	100.0
125.02039	1.9
125.02454	2.3
125.06096	0.6
137.02452	0.7
137.99602	0.9
138.03227	0.6
139.00403	33.5
139.04030	86.5
140.00729	1.1
140.04375	4.3
146.31737	0.3
153.01962	12.4
154.02724	1.5
157.08714	1.2
181.05284	0.4
185.08173	0.7
191.10942	0.4
197.08217	2.1
215.10890	0.4
218.02245	0.4
241.10829	0.4
261.03934	0.7
262.04828	10.4
263.05170	0.7
271.02493	0.4
277.07169	91.5
278.07507	8.6
305.20831	0.3
319.11819	0.4
323.22275	2.1
324.22488	0.4
351.18143	0.9
367.21466	0.3
411.47482	0.4
439.06873	0.7
439.12424	8.5
439.19449	1.8
440.07443	0.4
440.12936	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
66.36774	0.2
84.70707	0.2
93.44261	0.2
94.76151	0.2
121.06640	0.3
123.04495	0.2
125.06091	0.5
137.06145	0.2
165.05600	0.5
203.10884	0.3
235.09731	0.5
249.11348	2.4
309.86664	0.2
375.21765	8.3
376.21979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43790	0.4
57.03447	1.5
60.79830	0.4
61.98832	100.0
71.05025	0.6
71.06299	1.3
97.06625	0.6
121.06628	0.6
125.06116	2.2
135.04565	0.6
137.09723	7.0
137.10674	0.7
155.10883	1.0
163.11327	2.3
164.11691	0.5
175.93987	0.4
179.10796	0.5
223.09848	0.6
235.09811	1.1
291.15900	0.7
313.21930	1.0
331.23047	0.9
365.65204	0.5
375.21777	54.5
376.22079	8.5
439.25693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36097	0.3
57.03443	0.3
59.01366	0.3
61.98833	100.0
67.19292	0.3
68.58725	0.4
70.59519	1.1
76.21947	0.2
83.90244	0.3
98.19978	0.4
109.84381	0.3
125.06054	0.4
137.09760	0.5
235.09581	0.4
375.21777	10.8
376.22134	1.5
439.20679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99605	0.3
64.26110	0.2
70.90399	0.7
74.01397	0.2
78.95913	29.9
79.95747	1.7
96.96030	100.0
96.96970	74.5
97.95941	0.5
184.67439	0.2
188.34846	0.2
196.36670	0.3
218.17667	0.2
244.41278	0.2
250.74014	0.2
350.75049	0.2
418.11038	0.3
439.08624	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1456
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
51.20716	0.4
59.01382	57.4
60.01724	1.2
61.98830	6.4
67.01846	0.4
69.58497	3.6
71.01391	1.4
73.02953	0.5
77.03984	0.8
79.01930	0.8
79.62406	0.4
85.02956	1.0
87.00905	0.4
89.02480	0.7
90.74722	0.4
93.03513	0.5
95.01371	0.6
98.92751	0.4
101.02465	0.8
105.03510	2.4
107.01447	0.5
113.02484	0.5
119.05039	0.8
121.02971	1.1
123.04529	0.8
123.08170	1.0
125.02505	0.9
125.06093	0.7
131.70732	0.4
135.00917	0.6
135.04535	0.5
137.02492	0.7
139.11229	0.4
147.04547	0.8
149.02454	2.8
159.04547	1.0
160.05251	0.4
161.02438	1.9
161.06059	0.4
163.00417	2.2
163.04024	2.6
163.93675	0.4
165.01953	0.5
175.03973	2.7
176.04765	0.6
177.02075	0.5
179.03561	0.6
180.76836	0.4
187.04041	0.5
188.04855	0.4
189.01985	0.4
190.02740	0.9
191.03535	3.6
191.05484	0.8
201.11313	0.8
203.03542	3.7
204.04289	55.5
205.04729	4.5
207.10307	0.7
214.02763	1.0
215.03548	0.8
216.00749	0.4
216.04327	1.4
217.04971	0.9
218.05766	0.8
231.02771	0.5
231.10338	1.4
233.08240	3.8
244.03745	0.7
245.08206	1.8
247.09750	57.4
248.10138	3.5
257.05399	0.6
257.08151	5.8
258.08621	0.5
259.06223	0.4
259.09659	1.5
271.09763	1.5
273.07553	2.0
274.08017	0.8
275.09241	100.0
276.09604	10.1
278.07950	0.9
287.09268	11.9
288.09619	1.3
289.07150	0.4
289.10855	1.0
289.59000	0.4
299.09283	1.2
305.10446	2.3
317.10422	1.0
341.10550	0.6
377.12411	15.4
377.29141	0.5
378.12805	2.3
395.13608	0.6
437.14532	82.3
438.14896	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	438.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98832	100.0
62.98544	0.2
69.49187	1.3
69.49601	0.3
95.05020	0.2
121.03030	0.2
124.01687	0.2
136.03419	0.2
139.04054	0.1
147.96887	0.1
155.52425	0.2
213.15030	0.2
214.15350	0.2
270.99185	0.1
323.86081	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	435.2391
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
57.03437	0.9
59.01380	1.1
61.98835	0.8
67.34373	0.3
69.82369	2.1
71.01382	0.8
74.80693	0.3
83.01398	0.4
83.05020	0.4
85.06574	0.4
87.04523	73.3
88.04885	1.7
95.05061	0.6
97.02991	0.4
107.05040	0.4
107.34826	0.3
109.02946	0.9
111.04545	1.2
121.02972	1.4
122.03773	1.2
123.00900	9.4
123.04540	0.9
123.08129	0.5
124.01670	0.4
125.06084	0.5
125.09769	0.4
133.06618	0.5
135.08121	0.4
136.01675	2.2
137.02487	6.4
147.08044	0.3
148.07436	0.3
149.02441	4.5
149.06143	0.4
149.97801	0.4
150.03271	2.8
151.03947	0.5
151.59340	0.3
163.04031	0.7
164.04839	0.6
165.05542	0.4
179.07193	0.4
189.05641	0.5
190.06367	0.9
191.07022	0.4
191.10872	0.3
193.04990	0.8
193.12378	0.7
207.06645	2.6
208.07417	1.0
221.08086	0.6
225.07701	4.6
243.13947	0.5
259.13370	0.4
261.14935	0.6
263.12793	1.0
275.12854	2.8
276.13599	1.1
277.14444	1.9
289.14426	5.4
290.14746	0.5
308.12451	0.7
311.16315	0.4
329.17578	3.0
347.18640	74.8
348.18967	9.7
365.19766	0.9
391.21045	0.4
435.23901	100.0
436.24240	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.088
Annotation	5'-Demethoxycadensin G
Peak:m/z	Relative Intensity
51.68173	0.2
51.93918	0.2
57.03452	0.6
59.01391	0.8
61.98838	0.5
63.02407	0.3
65.00345	0.4
67.24880	0.2
69.03489	0.2
71.01392	0.5
73.02962	0.2
75.73353	0.2
83.01458	0.2
85.02971	0.2
85.06596	0.2
87.00895	0.6
87.04544	0.3
89.70766	0.2
97.02986	0.3
101.06114	0.3
107.01412	0.6
108.47510	0.2
111.00912	0.2
112.01597	0.2
112.91727	0.2
113.02474	0.3
117.03511	0.3
119.01392	1.1
119.05041	0.4
125.02509	0.5
125.06103	3.2
129.03477	0.6
133.02997	0.7
145.03004	0.7
146.03819	0.4
147.04539	0.6
148.01663	0.3
150.03288	0.2
151.00368	2.4
157.02971	1.7
159.00899	0.7
161.02464	0.9
164.04872	0.3
172.01801	0.3
173.02472	1.5
174.03217	0.5
179.07213	0.5
185.02483	1.5
186.03197	0.4
189.01979	0.8
193.12343	0.6
195.06532	0.3
201.01942	7.9
202.02615	1.8
209.08185	1.4
213.02017	0.3
214.02702	0.5
217.01491	0.6
229.01422	39.3
229.27110	0.3
230.01840	3.9
231.02711	0.3
246.50125	0.2
247.13367	0.2
251.12926	0.5
257.00916	100.0
258.01639	72.0
259.02075	6.4
265.14450	3.0
266.14761	0.4
277.14377	0.3
293.13943	0.6
302.43097	0.2
335.18613	3.6
336.18997	0.4
348.19043	0.5
363.18027	0.7
405.19156	3.0
406.19604	0.5
419.07736	0.6
436.24521	0.5
437.08725	2.1
437.21741	11.5
438.09317	0.3
438.22052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.4
59.01384	3.9
65.07627	0.6
70.46271	3.3
71.01387	4.7
72.99293	0.9
73.02941	1.1
78.95957	1.6
85.02965	1.9
87.00873	4.1
89.02449	0.8
93.03473	1.2
96.96026	36.3
96.96999	2.2
101.02460	2.9
110.66720	0.7
111.04488	0.9
113.02465	1.7
115.92127	1.1
119.05044	15.8
120.99626	1.3
121.02977	1.4
122.03705	1.3
129.01956	0.9
135.04474	1.1
137.02438	0.7
145.02985	2.8
149.02461	26.4
150.03247	41.3
151.03654	1.5
161.02481	2.1
161.04568	5.0
162.03256	3.2
162.65987	0.7
163.04034	27.1
164.04822	17.9
165.05589	100.0
166.05916	7.9
173.04585	1.6
177.05568	1.5
179.03511	1.0
180.04257	3.7
185.02803	1.5
191.05626	12.6
195.06656	28.9
196.07002	1.7
226.45163	0.8
327.06912	1.4
327.10849	29.2
328.11340	3.6
337.09290	11.0
338.09445	1.5
347.08182	1.2
357.11963	1.6
375.06940	2.5
405.21375	0.8
429.76459	0.7
435.05524	1.4
437.44327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78666	0.3
58.00627	0.4
59.01381	50.4
60.01709	0.6
61.98834	17.7
69.94513	1.9
71.01394	2.3
73.02954	0.5
75.00868	0.3
85.02980	1.0
87.22098	0.3
89.02464	1.1
93.03489	0.9
95.01413	0.6
95.67014	0.3
101.02461	1.2
109.02974	1.6
113.02485	3.7
116.92934	0.4
119.03516	0.9
123.04531	0.9
145.02963	0.6
151.04024	0.8
161.04602	0.8
161.05965	0.4
177.02020	2.0
177.03293	0.3
183.13930	7.4
183.97653	0.3
184.14308	0.5
189.01942	2.5
189.11490	0.3
190.02669	1.0
191.03571	0.4
195.13921	8.5
196.14250	0.7
201.02130	0.4
209.15508	0.3
211.13597	0.3
213.14973	100.0
214.15334	7.6
214.17378	0.4
216.00673	0.5
217.01466	1.8
219.02997	0.7
223.16957	0.4
227.16504	0.6
229.01439	0.3
237.15039	0.8
243.02846	0.4
249.14738	0.4
255.15993	1.6
258.01703	3.4
259.02103	0.4
261.03934	0.5
271.06061	0.6
272.03259	1.8
273.04001	5.1
274.04422	0.4
281.04395	0.4
289.07263	0.6
297.07739	0.5
341.06656	8.5
342.06931	0.9
435.10187	3.1
436.11093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Arthromerin B
Peak:m/z	Relative Intensity
57.03440	0.8
59.01382	26.5
60.01698	0.4
61.98838	4.0
63.02396	0.4
65.00327	6.5
68.99776	0.5
69.03458	0.4
69.53419	3.6
71.01391	2.7
73.02935	1.1
75.00894	0.5
75.45412	0.4
83.01380	1.6
85.02940	1.0
89.02444	1.4
91.01921	0.4
93.03452	1.4
95.01412	0.5
95.04971	0.4
97.02967	7.1
97.06561	0.5
101.02451	1.5
107.01382	1.4
107.05064	0.7
109.02982	2.1
113.02465	1.1
119.03532	0.7
121.02969	1.3
123.04522	1.0
124.01686	1.1
125.02469	3.8
125.89960	0.4
131.03558	0.5
131.05081	2.0
133.02994	0.9
136.98839	0.6
137.02486	2.4
139.04033	2.2
143.05051	0.8
145.03009	0.8
147.04549	0.7
149.06078	0.8
149.99574	0.9
151.00410	3.3
151.04036	10.6
155.05049	1.9
157.02991	0.9
159.04572	0.5
160.01678	22.0
161.02089	0.9
161.04486	0.7
163.03990	0.6
164.01160	0.9
165.01959	12.6
166.02254	0.7
167.03561	0.6
171.04497	1.3
171.10263	0.5
173.06097	6.9
174.03233	0.7
174.06514	0.4
175.04022	69.3
176.04367	4.6
177.01924	1.7
179.03578	2.1
180.04266	1.6
181.04904	0.5
185.06085	0.5
186.06818	1.0
189.01933	1.4
189.05594	0.5
190.02687	0.6
191.03621	0.9
191.05644	2.5
193.05002	0.5
193.15926	0.4
195.06641	2.3
197.06044	2.3
199.04037	10.2
199.09776	2.8
199.13487	1.0
200.04570	0.8
201.02036	0.9
204.04442	0.4
205.08771	0.6
209.08177	0.6
211.04134	0.4
213.05612	0.7
214.06403	3.0
215.03532	1.1
217.01390	0.6
217.05040	1.8
225.07713	2.5
229.01349	0.6
229.05159	1.5
229.08711	4.5
230.05743	3.5
231.03139	0.4
231.05824	0.4
233.04480	0.5
239.03487	0.5
241.05099	1.7
241.08856	0.4
242.02191	2.1
243.02972	29.4
244.03342	1.9
254.05815	0.6
255.16083	0.8
256.03751	0.6
257.04556	8.7
258.01868	0.7
258.05289	5.6
259.05994	0.8
261.04031	46.1
262.04379	4.0
267.03055	0.6
269.08258	1.1
271.02744	0.4
271.05923	0.9
272.03348	0.8
272.06918	1.5
273.07675	100.0
273.16992	2.3
274.08041	9.8
281.04581	1.5
282.05374	1.9
291.68469	0.5
297.07700	8.6
298.08081	1.3
303.04959	0.9
315.08734	1.5
341.06680	5.7
342.06976	0.6
367.12097	0.9
373.16556	0.4
385.13046	1.2
399.14563	0.8
417.15594	2.4
435.13101	38.5
435.21634	2.3
436.13541	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	435.13
Annotation	Pterosupin
Peak:m/z	Relative Intensity
50.53402	0.4
57.03449	1.2
59.01381	5.0
59.36908	0.4
61.98840	2.0
67.01874	0.6
68.99821	1.4
69.03449	0.8
69.66268	3.3
71.01373	0.9
71.05045	0.5
79.05522	0.5
81.03465	9.9
83.01378	3.3
88.85369	0.4
89.45643	0.4
93.03472	4.2
95.01388	1.0
95.05038	10.2
96.05414	0.6
96.71910	0.4
97.02966	4.6
99.04539	4.7
105.03472	0.4
107.01354	0.6
108.02211	0.5
109.02980	0.9
109.06612	0.4
111.04527	0.9
113.02454	0.9
119.05042	7.6
121.02982	1.0
122.03769	0.9
123.04550	14.2
124.04866	0.8
125.02472	20.7
126.02805	1.1
133.06667	0.4
135.04521	1.7
137.02457	3.0
137.06108	12.4
138.06433	0.6
139.04025	2.7
141.05588	0.7
145.06592	0.6
147.04535	1.5
149.02496	0.5
149.06090	0.7
151.00394	0.9
151.04027	0.8
153.05643	0.6
155.03519	1.0
163.03899	0.4
163.07687	1.1
165.01984	1.2
165.05585	6.9
166.02626	0.6
167.03523	49.7
168.03830	2.7
169.47078	0.4
175.04024	0.4
177.05663	0.6
179.03519	8.2
180.04018	0.6
181.05098	2.4
186.08684	0.4
189.05585	3.8
191.03491	1.1
191.05563	0.6
193.05086	1.5
197.04591	3.1
206.02283	0.7
209.04565	14.4
209.06564	0.7
210.04851	0.7
221.04587	2.6
229.01305	0.6
229.08736	0.9
239.05597	0.8
243.03023	1.6
255.03137	0.6
261.03995	1.0
263.71252	0.4
271.09842	0.5
272.03070	1.3
273.03156	0.6
273.07660	7.3
285.07611	2.7
301.03143	0.9
302.03351	1.4
303.04187	0.7
315.08746	100.0
316.09085	11.0
316.12152	0.3
327.08826	1.8
343.60800	0.5
345.09818	24.4
346.10248	2.8
357.09726	1.0
412.37494	0.5
417.11908	1.6
435.08633	1.0
435.13318	6.3
435.22156	0.5
436.13184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
57.03445	5.2
59.01382	2.9
63.02420	0.5
65.00328	1.5
65.03966	0.3
69.03454	1.8
69.86387	1.8
71.01380	1.8
73.02950	0.6
79.95713	0.3
80.96527	2.8
81.03477	0.9
81.72452	0.3
83.01398	8.9
83.13000	0.3
85.02965	0.7
86.01400	0.4
87.00880	0.8
89.02463	0.7
93.03477	2.4
94.98104	0.5
95.01406	0.5
96.96016	0.8
97.02970	0.7
98.20667	0.4
99.92605	0.7
101.02440	1.6
107.01372	1.9
107.05047	0.5
109.02969	7.0
113.02448	0.3
115.92123	0.4
121.02989	0.8
122.03775	0.6
123.04536	6.8
125.02464	37.0
126.02794	1.4
127.78533	0.3
131.05113	1.8
133.02950	1.7
135.00853	0.4
135.04555	0.7
136.40472	0.5
137.02466	100.0
138.02789	4.5
139.04033	0.4
143.05017	0.6
145.02991	2.8
146.03685	0.4
147.04517	0.5
149.02446	3.5
149.06096	0.5
150.03250	15.4
151.00403	3.3
151.04034	15.6
152.04402	1.1
153.01959	0.5
155.05083	2.3
157.02971	1.4
158.03816	0.4
159.04611	0.5
161.06059	0.9
163.04013	0.5
164.01181	0.7
165.01897	1.1
166.02737	2.3
167.03485	1.0
173.06119	1.7
174.03267	0.8
175.04004	5.8
177.01936	2.1
179.03494	0.8
185.06105	0.6
187.04024	1.3
188.04926	0.3
189.05598	0.8
191.03561	1.0
191.05632	1.9
193.05052	1.1
199.04010	10.0
200.04332	1.1
201.01956	1.1
201.05550	0.5
203.07155	1.1
205.05026	0.6
217.05046	2.5
219.03009	0.5
225.00818	0.5
227.07159	0.7
232.03688	0.4
233.04478	0.5
243.02983	31.9
244.03333	2.8
245.08168	1.3
259.02478	1.6
261.04019	49.3
262.04410	4.4
271.06104	5.5
272.06516	0.4
285.04144	0.5
289.07208	6.3
290.07651	0.5
297.09790	4.2
298.10052	0.5
303.04987	1.3
313.09256	2.4
333.41302	0.4
337.09344	0.5
372.99945	0.5
375.07251	9.6
375.16589	1.0
376.07446	1.2
393.08328	1.0
435.08624	3.3
435.12921	9.4
436.14032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41467	0.8
57.03449	1.6
59.01381	24.6
60.93115	0.9
61.98833	100.0
68.99818	0.9
69.42273	9.6
69.42593	1.0
71.01391	5.9
72.99330	1.3
73.02948	1.3
83.01407	1.7
85.02972	3.4
87.00928	1.1
87.04533	1.8
89.02456	1.9
93.03468	7.4
95.01413	1.0
95.05045	1.2
97.06633	1.0
101.02459	4.1
107.05042	1.3
109.02976	11.7
111.04530	2.5
113.02443	2.8
116.92881	5.2
117.97320	3.3
119.05054	3.0
121.03001	1.4
123.04551	11.3
123.08263	1.2
125.02482	3.3
125.06127	1.4
133.02957	1.9
135.04568	1.1
137.02437	1.1
137.16380	0.9
143.03572	1.3
145.02995	6.0
147.04507	3.2
150.03311	1.1
151.04056	5.7
152.00693	1.1
161.02475	3.2
161.04645	1.4
162.03069	1.0
163.04041	3.0
176.01164	1.6
177.01942	16.1
178.02316	1.0
179.07059	1.3
187.04124	2.2
187.58575	0.9
189.01950	37.7
190.02695	10.1
191.03513	9.8
191.05659	3.1
195.06606	2.5
201.01932	8.2
203.03545	4.9
211.03688	1.1
212.13808	1.5
213.14952	2.8
216.00650	4.7
217.01425	25.6
218.01959	3.2
219.03018	10.2
229.01418	4.6
231.03043	9.6
232.03700	1.8
233.04604	1.4
237.11351	2.0
240.39217	1.2
241.05058	2.5
243.02977	3.5
244.03603	1.5
257.00922	8.0
258.01688	23.1
259.02109	2.0
261.03912	2.0
271.02698	1.5
271.06116	1.9
272.03296	10.6
272.13834	1.5
273.04037	33.9
273.07123	1.8
273.14804	1.1
273.20773	2.0
274.04382	2.5
283.06076	1.0
289.07184	4.1
297.07877	1.5
298.03674	1.1
311.05658	4.1
323.05719	1.1
325.07062	1.8
329.06680	1.3
341.06696	77.9
342.06903	8.4
345.06232	3.2
347.18680	3.8
403.11310	1.0
434.24683	1.2
435.10159	54.4
435.24713	10.2
436.10538	8.4
444.85748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98837	2.7
64.06725	0.3
65.03955	0.3
71.01374	0.3
71.21232	0.3
71.21541	0.6
75.76035	0.3
81.03475	0.4
83.01364	0.3
85.02963	0.4
91.01904	0.4
93.03470	10.6
94.95971	0.3
95.05035	1.6
97.03003	0.3
97.12312	0.3
103.05537	0.5
105.03488	0.4
108.02196	0.7
109.02972	18.0
110.03288	0.6
111.04528	0.3
117.03477	2.5
119.05048	1.9
121.02972	1.2
122.03775	0.8
123.04548	15.4
124.04919	0.7
125.02495	0.8
133.02983	2.8
135.00893	0.7
137.02464	0.4
139.04047	0.3
143.05139	0.3
145.02989	8.4
147.04558	4.2
149.02487	0.8
150.03261	1.7
151.00388	0.3
151.04044	7.3
152.04373	0.5
159.04541	1.5
161.02495	2.8
161.06094	0.7
162.03198	1.1
163.04010	0.7
165.01917	0.5
173.02448	0.4
175.04021	1.0
176.01175	1.1
177.01958	27.4
178.02271	1.5
178.86308	0.3
179.03453	0.5
185.06224	0.4
187.04025	1.8
188.04767	0.8
189.01964	57.8
190.02702	13.9
191.03534	12.4
191.05315	0.5
192.03883	0.7
195.06563	0.4
201.01964	0.7
203.03514	6.9
203.07199	0.9
204.03865	0.7
211.03905	0.4
213.05508	0.3
216.00665	9.1
217.01434	36.5
218.01970	4.4
219.03004	15.1
220.03362	1.3
227.07129	0.5
229.05132	0.6
229.08766	0.4
229.19687	0.3
231.02992	11.9
232.03554	1.3
233.04543	1.0
241.05106	1.4
243.06824	0.4
243.21533	0.3
245.08153	0.9
255.06514	0.4
261.04056	0.3
269.04477	1.1
271.06024	3.1
272.06494	0.3
273.04175	0.4
280.03708	0.4
281.04495	2.0
282.05008	0.4
283.06119	2.1
289.07196	4.0
290.07483	0.6
297.07617	1.0
311.05624	5.4
312.06006	0.6
323.05704	1.9
325.07230	0.6
341.06680	100.0
342.06998	11.6
347.18686	0.7
370.76373	0.3
402.84509	0.3
435.10855	43.0
436.11194	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	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66666	0.3
57.53462	0.4
57.95856	0.3
59.01357	1.2
61.98782	0.4
63.02401	0.7
65.00317	2.8
67.79144	0.3
73.04524	0.4
83.01389	2.8
89.03976	0.5
96.80151	0.4
98.20666	0.8
107.01402	3.4
107.05051	0.6
109.02969	3.6
123.04504	0.6
125.02469	5.5
126.96706	0.4
131.05051	3.8
133.02988	2.9
135.00899	1.2
142.27422	0.4
143.04974	0.5
147.04523	1.5
149.02487	0.9
149.06122	1.1
151.00397	6.9
151.04025	4.6
152.00967	0.3
153.01967	2.0
155.05058	3.6
157.02946	2.6
161.06070	0.5
163.00273	0.4
171.04546	1.0
173.06085	5.1
174.03262	1.3
174.06396	0.5
175.02496	0.8
175.04021	14.0
176.04308	0.8
177.01920	4.6
187.04037	0.5
189.05624	1.2
191.03584	1.8
193.05084	2.3
198.03270	0.8
199.04028	23.6
200.04338	1.3
201.01953	1.8
202.99847	0.5
213.05559	0.4
215.03542	0.7
217.05072	7.1
218.05412	0.8
219.03036	0.5
229.61974	0.5
231.02855	0.5
233.04736	0.7
241.05020	0.6
242.02290	0.6
243.02986	59.5
244.03322	5.1
257.04605	1.2
259.02454	1.7
261.04037	100.0
262.04391	8.8
273.13446	1.1
285.04117	2.3
303.05173	3.5
375.07242	20.7
375.32693	0.4
376.07529	3.3
435.09326	11.7
436.09848	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	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.3
62.95079	0.4
63.02395	0.7
65.00332	3.0
68.99811	0.6
69.53666	2.4
81.03490	0.4
83.01408	2.3
94.47441	0.3
107.01405	3.0
107.05047	0.5
109.02970	2.6
123.04512	1.5
125.02463	4.1
126.02824	0.3
127.05544	0.5
131.05051	4.0
132.05368	0.4
133.02965	2.3
135.00880	0.9
143.05058	0.8
145.06572	0.6
147.04526	1.1
149.02411	0.3
149.06065	1.3
151.00389	7.7
151.04004	4.5
152.04367	0.5
153.01947	0.7
155.05078	4.2
157.02959	1.9
171.04521	1.3
173.06104	3.9
174.03259	1.4
174.06433	0.3
175.04025	13.5
176.04338	0.8
177.01988	4.2
180.91621	0.3
187.04073	0.6
189.05640	0.7
191.03493	2.0
191.05467	0.5
193.05006	2.4
198.03214	0.9
199.04024	19.4
200.04301	1.9
201.01952	1.7
202.99754	0.4
215.03490	0.8
217.01608	0.5
217.05087	7.2
218.05379	0.6
219.02975	0.9
220.03436	0.4
229.08665	0.6
231.03049	0.6
233.04610	1.2
243.02980	61.9
244.03313	6.1
255.06682	0.4
259.02505	1.1
261.04025	100.0
262.04382	9.0
273.07593	0.5
285.04053	0.6
303.05121	1.1
339.13876	0.3
372.13849	0.4
375.07202	6.9
376.07275	0.4
393.08142	1.6
435.08945	5.4
436.09753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
52.81468	0.3
57.15059	0.3
59.01368	0.4
63.02405	0.7
63.41405	0.3
65.00320	3.1
68.99832	0.6
69.55298	2.4
69.55694	0.7
79.62732	0.3
83.01384	2.2
96.96053	0.3
102.26978	0.3
107.01388	3.7
107.05032	0.7
109.02952	2.5
109.04124	0.3
125.02475	3.2
130.04294	0.5
131.05045	3.9
133.02972	2.3
135.00922	0.6
143.05043	0.6
145.06561	0.5
147.04539	1.2
149.02472	0.7
149.06085	1.1
151.00386	7.5
151.04027	4.1
153.01927	0.5
155.05061	3.7
157.02957	1.7
171.04517	0.7
173.06088	4.8
174.03232	1.2
175.02501	0.6
175.04033	13.0
176.04340	0.6
177.01932	3.9
180.13600	0.3
187.03998	0.4
189.05551	0.7
191.03517	1.3
191.05663	0.4
193.05054	1.8
199.04016	17.6
200.04356	1.3
201.00301	0.3
201.01978	1.6
202.99921	0.6
215.03448	0.7
217.05075	6.1
218.05374	0.5
219.02957	0.7
231.02834	0.3
233.04520	0.7
243.02980	54.6
244.03343	4.5
259.02423	1.0
261.04031	100.0
262.01624	0.3
262.04355	7.1
285.04047	0.5
303.05386	0.6
321.84735	0.3
342.88840	0.3
369.16141	0.3
375.07172	4.6
376.07425	0.5
435.09360	3.8
436.09531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0933
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
56.88684	0.3
59.01384	0.6
63.02387	0.6
63.62009	0.3
65.00327	2.7
68.99812	0.4
69.55354	2.4
76.04564	0.2
81.03482	0.3
83.01382	2.4
89.02415	0.4
89.03986	0.4
107.01392	3.1
107.05027	0.7
109.02960	1.9
123.04509	0.3
125.02465	2.7
126.02786	0.3
127.05563	0.2
131.05025	2.7
133.02965	1.4
135.00899	0.5
143.05034	0.8
145.03021	0.3
145.06595	0.5
147.04497	0.8
149.02422	0.7
149.06104	0.8
151.00386	5.8
151.04031	3.0
153.01967	0.4
155.05028	3.3
157.02953	1.6
171.04581	0.8
173.06139	2.3
174.03253	1.1
175.04012	10.3
176.04280	0.4
177.01965	2.1
187.03981	0.5
189.05576	0.8
191.03523	2.1
193.05069	1.2
198.03204	0.4
199.04021	18.2
200.04355	1.6
201.01894	1.7
215.03485	0.7
217.05043	4.6
218.05420	0.4
219.03017	0.9
231.03067	0.5
232.20488	0.3
233.04634	1.1
243.02971	60.3
244.03287	5.1
259.02411	0.7
261.04019	100.0
262.04358	7.5
272.03165	0.9
303.05249	0.5
315.04904	0.3
318.14893	0.3
344.64288	0.3
375.07162	1.1
389.21826	0.5
435.09308	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	435.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43345	0.3
57.03440	0.3
59.01376	0.9
61.98825	0.3
63.02402	0.7
65.00321	2.4
68.99799	0.5
70.02775	1.4
81.03436	0.3
81.79452	0.2
83.01385	2.1
89.04004	0.4
107.01392	2.9
107.05048	0.5
109.02942	1.7
115.92162	0.3
116.92897	0.4
123.04520	0.4
125.02491	3.4
130.04193	0.4
131.05060	3.4
133.02940	2.1
135.00897	0.7
135.04596	0.4
143.05028	0.8
145.06657	0.5
147.04515	0.9
149.02448	0.3
149.06073	1.1
151.00398	6.1
151.04016	4.1
153.01929	0.6
155.05034	2.7
157.02980	2.1
171.04520	1.1
173.06100	4.4
174.03217	1.2
175.04031	12.4
176.04367	1.0
177.01898	3.5
189.05573	0.7
191.03583	1.8
193.05099	2.4
198.03255	0.8
199.04024	17.8
200.04391	2.0
201.01878	1.7
215.03416	0.7
217.05075	6.1
218.05444	0.6
219.02992	1.0
231.03008	0.4
233.04546	0.8
243.02982	58.7
244.03317	4.8
258.01849	0.3
259.02472	1.7
261.04028	100.0
262.04382	8.9
273.04053	0.5
284.18851	0.3
285.04007	0.6
303.05066	2.0
375.07257	8.8
376.03003	0.3
376.07690	0.9
393.08405	2.3
395.03271	0.3
435.04343	0.4
435.09482	8.2
436.09656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01367	1.9
63.02379	0.5
65.00320	2.3
69.03461	0.4
70.03951	1.8
70.04378	0.7
71.01391	0.9
80.96534	1.0
83.01390	3.8
83.70103	0.5
87.00896	0.5
93.03485	0.8
94.98100	0.6
101.02458	0.7
107.01405	3.4
107.05034	1.2
109.02978	3.2
113.02453	0.4
115.85908	0.4
123.04547	1.4
125.02458	11.4
125.03304	0.9
126.02827	0.6
131.05038	2.5
133.02975	1.7
134.75183	0.4
135.00917	0.7
137.02464	23.9
138.02814	0.7
145.02968	0.8
147.04510	1.1
149.02441	0.9
149.06038	1.0
149.99661	0.7
150.03195	2.8
151.00372	5.6
151.04041	7.0
153.01961	0.7
155.05074	4.2
155.93808	0.5
157.02939	3.0
159.04477	0.6
163.51163	0.4
166.02658	0.5
171.04532	1.5
173.04826	0.6
173.06093	2.9
174.03215	1.0
175.04031	11.1
176.04366	0.8
177.01921	2.3
180.87659	0.5
185.06006	0.5
187.04034	0.7
189.01920	0.8
189.05641	0.7
190.02689	0.5
191.03499	2.1
191.05507	0.9
193.05072	1.7
198.03258	1.1
199.04021	21.4
200.04376	1.3
201.01958	2.4
204.04268	0.6
215.03525	1.2
217.05048	5.1
218.05359	0.5
219.03055	0.7
226.80418	0.4
231.03014	1.0
232.03719	1.0
233.04543	1.0
242.02116	0.7
242.06102	0.4
243.02985	66.3
244.03297	5.9
259.02411	5.3
260.03131	1.0
261.04031	100.0
262.04382	7.9
265.03583	0.5
271.06140	1.3
289.07196	2.0
297.09879	1.1
303.05103	5.8
304.05377	0.4
313.09470	0.5
361.78925	0.5
375.07233	29.4
375.16867	0.9
376.07571	3.9
393.08179	1.3
435.08682	5.2
435.18277	1.0
436.09332	0.6
455.26151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.2
58.42777	0.2
59.01382	20.3
60.01714	0.3
61.98833	100.0
62.98531	0.2
63.68689	0.2
63.99226	0.2
65.00327	0.3
69.97623	0.1
71.01395	0.5
71.71765	0.1
83.01398	0.4
85.02954	0.1
88.98801	0.3
89.02459	0.5
93.03456	0.4
101.02446	0.5
107.01370	0.4
109.02972	0.2
119.05034	0.7
120.05389	0.2
121.02955	0.2
125.02419	0.6
135.04472	0.2
137.02423	0.3
141.09225	0.3
151.00389	1.6
151.04079	0.2
152.00684	0.9
164.01152	0.3
165.01878	0.4
167.03552	0.2
167.04953	0.1
173.04633	0.2
175.07616	0.3
176.04701	0.2
177.01933	0.4
178.02296	0.2
178.99811	0.2
179.03458	0.4
180.00064	0.2
191.05650	0.4
197.04443	0.2
198.11906	0.2
205.08543	0.3
227.06870	0.2
229.01485	0.8
243.02823	0.3
255.02939	0.2
256.03177	0.2
257.00934	1.1
258.01514	0.4
261.03787	0.2
270.04672	0.3
271.02289	0.6
271.05902	1.5
272.02966	1.3
272.06226	2.6
273.03885	0.4
273.06714	0.3
283.05634	0.2
285.03824	0.2
287.99634	0.2
300.02527	0.2
301.03107	0.9
302.03622	0.2
303.04846	0.6
375.20093	0.3
399.14014	0.2
402.12561	0.2
417.15109	0.5
434.06351	0.3
434.11130	1.0
434.24176	0.2
435.09216	1.9
435.23877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01719	0.3
61.98832	100.0
65.00336	0.3
68.37095	0.2
69.78493	1.5
71.01393	0.8
76.92498	0.2
81.03474	0.7
83.01405	0.3
89.02473	0.6
93.03474	1.3
101.02457	0.5
109.02971	1.5
119.03523	0.3
119.05045	1.1
121.02948	0.3
121.68407	0.2
123.04553	3.6
125.02462	1.7
133.02928	0.3
137.02496	0.2
145.02980	0.6
147.04599	0.2
149.02405	0.2
149.48044	0.2
151.00418	0.7
151.04051	0.7
157.07405	0.2
161.02458	0.2
167.03519	7.7
172.56761	0.2
173.02560	0.2
175.04060	0.4
177.01938	2.0
179.03560	0.9
183.08543	0.2
186.06432	0.2
187.04048	0.3
188.04881	0.3
188.22768	0.2
189.01950	2.4
189.05630	0.3
190.02774	0.8
191.03575	0.7
191.05797	0.3
199.03992	0.4
216.00661	0.6
217.01460	1.9
219.03041	0.7
227.03566	0.9
228.03865	1.3
229.01822	0.4
229.04323	0.8
229.08578	0.4
230.04227	0.5
231.03003	0.4
232.05975	0.3
243.03014	0.8
255.03053	1.0
256.03323	1.8
257.03427	1.6
258.03784	1.7
261.04034	1.6
271.06165	0.8
272.03195	1.4
273.07663	9.8
281.04681	0.8
284.03387	0.3
285.03772	2.2
286.04214	3.5
287.04346	3.9
288.04861	3.2
289.07498	0.3
297.07727	0.6
301.03546	0.7
311.05612	0.4
341.06689	9.1
434.10764	5.2
434.25021	0.4
435.10355	3.2
435.22507	0.4
439.82361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21307	0.1
59.01380	1.1
61.98833	100.0
62.98543	0.2
69.89672	0.6
73.42476	0.1
74.63672	0.1
81.03452	0.1
87.03709	0.1
93.03484	0.1
98.19872	0.2
109.03004	0.1
123.04508	0.2
125.02477	0.3
125.06089	0.1
140.34300	0.1
145.03059	0.1
151.00417	0.2
152.01201	0.2
165.09224	1.2
177.01979	0.4
178.99910	0.1
179.55510	0.1
187.61024	0.1
189.01939	0.5
190.02774	0.1
191.03458	0.1
209.08195	5.6
210.08560	0.5
217.01453	0.3
219.03021	0.2
224.97017	0.1
231.03108	0.1
269.04343	0.1
270.04904	0.2
273.03714	0.1
341.06659	1.3
371.13507	1.1
372.13742	0.2
374.13144	0.1
390.38281	0.1
435.10757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29025	0.1
55.18608	0.1
59.01376	0.4
61.98834	100.0
62.63240	0.1
62.98537	0.2
62.99240	0.1
63.18081	0.1
64.94061	0.1
64.98867	0.1
70.44394	0.3
70.44800	0.2
78.08185	0.1
81.03464	0.2
93.03515	0.1
97.77869	0.1
98.93037	0.1
101.02470	0.1
107.01416	0.1
119.58295	0.1
122.03809	0.1
123.04494	0.1
125.02493	0.6
125.06113	0.2
126.02795	0.1
141.68361	0.1
151.00397	0.2
165.09247	1.3
186.15907	0.1
193.94814	0.1
198.12228	0.1
209.08211	6.1
210.08594	0.4
214.90462	0.1
251.09212	0.1
258.01730	0.5
261.04065	0.1
272.06354	0.1
273.04050	0.6
341.06790	0.3
371.13446	1.1
372.13861	0.2
389.29980	0.1
391.44778	0.1
434.24228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01381	1.8
61.98833	100.0
65.00322	0.2
69.89960	1.2
71.01389	0.4
71.05030	0.2
75.92049	0.2
81.03467	0.7
83.01394	0.3
85.02950	0.2
95.05045	0.4
101.06085	0.2
111.04536	0.2
113.02493	0.2
116.28284	0.2
122.03756	0.2
123.08205	0.3
125.02464	1.2
125.06117	0.9
139.04024	0.7
151.00404	0.6
165.09225	9.2
165.10638	0.4
166.09528	0.5
179.07188	0.2
191.07094	0.3
193.08699	0.4
205.08704	0.3
208.07529	0.2
209.08202	33.6
210.08572	2.3
212.13818	0.5
221.08206	0.2
223.09729	1.3
233.08192	9.0
234.08549	0.7
243.03162	0.2
251.09241	3.1
257.00885	0.2
263.09222	1.0
273.04190	0.3
275.08981	0.2
286.40375	0.2
300.42056	0.2
311.11459	0.4
342.18457	0.2
371.13480	20.9
372.13840	2.5
434.25430	0.2
435.19598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77612	0.8
57.03436	0.8
59.01381	12.3
60.99310	1.5
61.65840	0.8
61.98831	18.0
65.00320	3.2
69.62694	0.7
71.01381	2.8
73.02943	0.7
81.03447	1.9
83.01391	2.3
85.02955	1.5
87.00896	0.9
88.00444	1.0
88.98810	10.5
89.02466	2.5
91.01890	0.8
93.03460	1.2
95.01413	1.5
97.02982	1.3
101.02406	1.2
107.01402	3.1
109.02956	0.9
110.97473	0.7
113.02504	1.6
119.03497	0.8
119.05017	6.5
120.05373	3.9
121.02951	1.2
121.10258	3.6
122.03734	1.2
122.92096	0.8
123.08212	4.9
125.02449	4.6
131.05013	1.2
149.02429	1.3
151.00385	8.5
151.04033	2.3
155.05035	1.2
157.02968	1.2
165.09221	100.0
166.09563	6.2
167.03459	0.8
173.06137	1.2
175.04050	4.5
177.01959	1.4
189.05408	0.8
191.03561	3.9
191.05573	2.4
191.07123	10.8
193.01421	3.6
193.05026	1.2
194.01764	3.2
199.04031	11.4
201.01857	0.9
207.10365	0.9
209.08171	3.1
217.05074	2.4
228.07451	1.0
241.71191	0.8
243.02963	32.8
257.09256	0.8
258.07349	0.8
261.04028	56.0
272.06537	1.6
285.04077	1.5
303.05075	0.8
313.07022	6.0
314.07498	19.2
314.10651	0.7
315.07703	2.5
343.08234	1.2
344.08578	5.9
371.13501	76.4
371.66299	0.8
372.13858	10.0
375.06821	1.0
416.10818	1.1
434.12006	5.6
435.09369	3.6
435.22284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.2
61.98832	100.0
62.59279	0.1
62.98524	0.2
65.00312	0.1
69.91259	0.1
71.01389	0.5
71.72567	0.1
72.99302	0.1
73.02955	0.2
80.43068	0.1
83.01409	0.1
85.02969	0.2
89.02443	0.4
93.03476	0.5
95.05022	0.1
97.02994	0.1
100.26155	0.1
101.02465	0.3
109.02965	1.0
111.04509	0.2
113.02457	0.6
115.00340	0.1
116.92881	0.4
117.03456	0.2
119.03503	0.2
119.05056	0.2
119.32481	0.1
121.02973	0.1
123.04535	0.9
123.08178	0.1
125.02444	0.2
127.87300	0.1
128.15321	0.1
132.03058	0.1
133.01434	0.4
133.02975	0.2
139.03998	0.3
145.03003	0.6
147.04536	0.2
149.02441	0.1
151.00363	0.2
151.04048	0.5
155.04987	0.1
161.02544	0.1
161.04585	0.3
165.09213	0.5
167.73495	0.1
175.04018	0.1
177.01952	1.6
181.04996	0.1
183.13921	1.6
187.04050	0.2
188.04736	0.1
189.01942	2.1
189.05669	0.1
190.02721	0.5
191.03519	0.4
195.13908	1.5
199.04034	0.2
201.01912	0.2
209.08203	4.3
210.08461	0.3
211.17120	0.1
213.14972	20.2
216.00629	0.5
217.01460	1.4
217.04826	0.2
218.02214	0.1
219.02997	0.5
227.07196	0.1
227.16449	0.3
229.01422	0.3
229.05156	0.2
230.02138	0.1
231.03015	0.5
233.04535	0.1
237.14958	0.1
243.00691	0.1
243.02975	1.6
255.15967	0.2
257.00818	0.2
258.01682	2.9
261.04031	1.6
267.16043	0.1
271.02411	0.3
271.06064	0.6
272.03241	1.7
273.04019	4.1
273.17026	0.1
279.06354	0.1
281.04611	0.5
281.69153	0.1
283.06088	0.1
289.07181	0.3
297.07669	0.3
311.05463	0.1
323.05432	0.1
341.06674	6.8
371.13400	1.0
434.08289	0.2
434.25165	0.1
435.09900	2.8
435.23563	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	433.2599
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.28590	0.3
57.03441	0.8
59.01385	0.6
70.88182	0.4
70.88532	0.7
71.05019	0.9
72.61679	0.3
78.95914	5.6
81.19390	0.3
97.02971	3.2
97.06596	0.7
107.05041	0.7
109.02994	0.4
109.06603	0.6
111.04532	0.5
123.04527	1.0
138.03230	0.4
139.04010	0.5
142.36743	0.3
151.04030	9.5
151.07622	0.5
152.04536	0.4
152.98351	0.4
152.99615	7.6
161.02444	0.5
163.07675	1.0
165.05598	0.3
166.02740	0.8
171.00661	0.3
177.01982	1.4
179.03571	0.7
179.07162	0.8
180.04288	0.6
189.05609	1.4
193.05077	1.7
194.05876	3.8
195.06650	2.8
195.13881	0.3
207.06645	100.0
208.07104	8.0
209.08038	0.6
219.06633	0.9
221.08192	2.5
221.15479	1.1
224.06470	0.3
226.04793	0.4
235.10030	0.3
249.11319	0.7
273.18619	0.5
287.12906	0.8
305.13986	10.2
306.14398	1.1
307.15616	1.7
347.18546	0.3
349.16943	0.3
363.17755	0.5
364.18820	4.5
365.19235	0.5
377.23724	0.3
389.27509	0.3
433.26013	96.8
434.26343	16.1
434.32562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03450	9.7
59.01363	0.8
69.03456	0.6
69.31131	0.2
69.56638	1.2
69.57060	1.1
71.05025	1.8
85.02962	4.5
85.06599	0.9
87.04526	3.4
99.04530	2.3
100.05327	0.7
101.06116	0.8
108.48204	0.2
109.06634	0.3
111.04543	0.4
111.08169	1.6
113.02431	0.3
121.06587	0.5
123.04536	0.3
123.08178	1.5
125.06136	0.4
125.09756	0.5
127.07662	2.1
129.09261	2.2
137.02461	1.8
137.09711	0.5
138.03221	0.4
138.76152	0.3
139.04037	5.2
139.05115	0.4
139.07652	0.4
141.09251	2.0
147.08186	0.3
151.11313	1.8
153.05615	0.8
155.07155	0.9
161.09711	0.3
163.11284	0.5
165.12878	5.6
167.10753	0.3
181.05031	0.4
181.12367	4.1
186.05353	1.2
191.10791	1.2
195.13876	0.5
196.14198	0.2
197.15501	8.5
198.15837	0.8
207.06668	0.5
207.10240	0.5
207.53012	0.3
209.11844	14.0
210.12157	0.9
219.17555	1.3
220.07852	0.3
221.15450	0.8
223.13420	3.1
224.13934	0.5
235.09630	0.4
251.09338	0.6
253.10814	23.1
254.11205	1.8
275.12885	6.3
276.13434	0.7
280.13217	3.0
281.13672	0.3
289.21738	9.4
290.22110	1.1
293.13959	100.0
294.14313	9.2
295.19061	0.4
308.12656	0.8
309.13443	2.7
309.17172	1.1
312.12207	0.3
315.19516	0.3
333.20654	0.5
345.20853	0.7
363.17249	0.5
363.21774	9.5
364.18442	2.4
364.22351	0.9
365.19000	0.4
389.26965	1.0
433.26630	3.5
434.26379	0.5
439.61008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2598
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.24965	0.2
57.03449	3.6
59.01383	1.5
61.98812	0.7
62.59640	0.2
62.99543	0.2
68.99822	0.5
69.03469	0.5
71.05021	0.7
71.71469	0.2
71.71875	0.3
81.03458	0.7
83.05048	1.3
85.02926	0.3
85.06599	27.4
86.06921	0.9
87.04529	4.5
91.04023	0.5
93.07105	0.3
95.05058	1.1
97.06599	1.9
99.04507	0.3
101.06096	0.8
107.05042	0.3
109.02953	0.5
109.06597	0.3
110.42667	0.2
111.04536	7.8
111.08160	0.5
113.06107	0.5
121.06619	1.0
123.04535	0.7
123.08165	0.5
125.02553	0.2
125.06105	0.8
125.09754	0.5
135.08159	0.5
137.06110	1.1
137.09740	5.3
138.10049	0.3
139.07715	1.0
147.08208	0.2
149.06171	0.3
149.09737	1.0
151.07675	0.5
151.11287	0.3
153.09221	2.4
154.58742	0.2
155.10742	0.3
160.62900	0.2
161.09711	0.3
163.07695	0.3
163.11322	0.4
164.03587	0.3
165.05548	0.3
165.09225	1.0
165.12857	0.4
167.10802	6.4
168.11176	0.4
175.69722	0.3
177.05559	0.2
177.09244	0.3
179.07121	1.4
179.10843	0.2
189.12877	0.6
191.07155	0.4
191.10674	0.2
192.03061	2.8
193.08627	1.0
195.06592	0.2
195.10179	0.2
203.10785	0.2
205.08710	0.4
205.12375	0.7
207.06790	0.3
207.10280	0.9
207.13916	12.4
208.07445	0.9
208.14296	1.1
209.08286	0.5
209.11839	0.3
217.08800	0.2
217.12294	0.4
219.10298	0.5
219.13881	0.4
221.08128	0.5
221.11882	0.3
223.13333	0.2
223.20653	0.4
225.14984	2.6
226.15355	0.3
233.08206	0.3
233.11826	0.7
233.15405	0.2
234.07724	1.6
235.08437	0.7
243.13876	0.2
245.15450	0.2
247.09712	0.7
260.16635	0.2
261.15042	0.4
262.10785	0.7
263.12915	0.3
267.19556	0.3
271.02496	0.2
275.16461	0.4
277.14532	1.4
279.16083	0.8
285.20795	0.5
289.14417	0.2
291.15979	4.1
292.16403	0.6
293.17493	0.6
296.33914	0.2
300.02612	0.4
301.03610	0.3
303.19769	0.6
304.15591	5.7
330.71082	0.2
345.16895	0.2
345.20758	1.0
346.20297	2.2
359.24466	0.5
363.17615	0.2
363.21777	5.5
364.22079	0.7
373.23807	4.6
374.24292	0.9
390.19238	5.4
415.24954	3.0
416.25302	0.4
424.86404	0.2
433.25998	100.0
434.26340	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	433.2596
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.01867	0.7
57.03452	0.8
59.01396	0.9
60.76723	0.2
61.98826	0.3
61.99701	0.1
66.90694	0.2
69.03449	0.2
70.06708	0.1
70.13916	0.9
71.01374	0.3
71.05022	0.3
83.01392	0.5
83.05031	0.2
85.02940	0.5
85.06609	0.3
86.02786	0.2
86.15725	0.2
87.04082	0.2
87.04528	1.2
99.08153	0.4
101.06097	0.5
109.06595	0.2
111.04506	0.2
117.03484	15.8
118.03809	0.5
119.05047	7.1
120.05344	0.3
121.02953	0.9
125.02455	0.3
125.06082	0.5
127.07700	0.3
133.02989	0.2
137.06157	0.2
139.07658	0.2
141.09236	0.2
141.12866	0.3
141.71387	0.2
145.02975	100.0
146.03314	4.9
146.58260	0.2
151.04176	0.2
154.02710	0.2
155.10774	0.2
163.04031	4.8
164.04277	0.3
181.08913	0.2
181.12427	0.2
207.13860	0.2
209.11815	0.2
221.15506	0.2
223.09779	1.2
225.15027	0.6
253.10905	0.4
263.12970	0.2
269.21307	0.4
285.20633	0.3
287.22278	10.5
288.22620	1.1
289.21774	0.2
293.14053	1.3
293.17148	0.3
300.02820	0.3
309.13657	0.3
312.24954	0.2
347.25955	0.4
363.21863	0.3
373.20013	0.2
415.25177	0.7
433.26120	34.0
434.26511	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	433.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01387	2.3
61.98838	0.3
70.44685	0.2
71.05017	0.3
71.72282	0.3
76.05064	0.2
81.04088	0.2
83.01383	0.2
83.05028	0.2
85.06598	0.7
87.04517	1.0
95.05013	0.3
95.69746	0.3
97.03040	0.2
97.06625	0.4
99.04516	0.2
99.08182	0.3
101.06123	0.5
111.04535	0.9
117.03485	17.5
118.03799	0.4
119.05051	7.2
120.05361	0.3
121.02980	0.8
123.08220	0.3
125.06091	0.7
137.09787	0.2
139.04066	0.6
141.12854	0.4
145.02979	100.0
146.03323	5.6
151.11243	0.3
163.04037	5.4
165.12878	0.3
165.23027	0.2
179.10782	0.3
181.08711	0.3
181.12311	0.3
195.10194	0.3
197.12041	0.3
197.15547	0.4
207.10349	0.3
209.08302	0.3
209.11917	0.6
223.09828	0.7
223.13344	0.3
225.14981	0.5
236.10405	0.3
253.10831	0.7
269.21304	0.7
285.20929	0.5
286.30258	0.2
287.22293	10.4
288.22733	0.9
289.21768	0.7
293.13971	6.8
293.17239	0.3
294.14407	0.5
301.00391	0.2
309.13608	0.4
309.17010	0.4
347.26062	0.6
363.21902	1.1
415.25067	0.9
431.00662	0.2
433.26144	38.0
434.26413	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	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65804	0.4
54.04271	0.4
57.03426	0.6
65.26737	0.4
69.83670	2.5
69.84077	0.7
71.05019	0.6
90.05441	0.4
97.02958	2.6
99.42134	0.4
107.05062	0.5
107.08150	0.4
123.04542	0.8
151.02853	0.6
151.04024	8.3
151.07629	0.5
160.16351	0.4
163.07668	0.8
167.79472	0.4
177.01939	1.0
179.07149	1.0
180.04391	0.9
189.05568	0.7
193.05118	1.8
194.05809	2.0
195.06610	2.0
207.06636	99.7
208.07201	10.2
215.05974	0.4
221.08215	2.3
221.15367	0.7
249.11301	0.5
287.12939	0.5
294.14737	0.6
305.13943	6.4
306.14322	0.6
307.15497	1.4
347.18640	0.4
363.18170	0.7
364.18893	4.6
365.19214	0.7
372.14203	0.4
433.25958	100.0
434.26282	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2598
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.20784	0.3
57.03448	4.0
59.01374	3.0
61.98834	0.8
68.73260	0.3
68.99821	0.6
69.03458	0.4
71.05029	1.1
78.95900	0.7
81.03476	0.5
83.05045	1.7
83.05472	0.2
84.47077	0.2
85.06598	27.1
86.06943	0.6
87.04519	4.0
89.40559	0.3
93.07127	0.4
95.05037	1.2
95.62617	0.3
97.06599	1.9
98.20647	0.8
101.06075	0.4
102.14674	0.3
107.05053	0.3
109.02956	0.4
111.04532	7.1
111.08176	0.5
121.06624	0.9
123.04582	0.3
123.08191	0.4
125.06095	1.1
125.09754	0.5
127.07716	0.3
135.08191	0.7
137.06108	0.6
137.09740	4.9
138.10085	0.4
139.07671	1.0
141.09224	0.4
145.02969	1.0
149.09694	0.7
151.04005	0.3
151.07692	0.4
152.99570	1.4
153.09254	2.3
161.09775	0.3
163.11293	0.5
165.05617	0.4
165.09238	1.2
165.12878	0.3
167.10791	7.2
168.11148	0.6
176.04134	0.2
179.07191	1.2
189.12842	0.6
193.08789	0.8
195.06596	0.3
195.10245	0.6
196.06883	0.3
197.11850	0.6
205.12323	0.4
206.50229	0.3
207.10310	0.7
207.10674	0.5
207.13901	13.5
208.14252	1.0
219.10291	0.4
223.13394	0.4
225.14943	2.8
233.11870	0.7
233.15482	0.3
244.70688	0.3
261.14758	0.3
261.42990	0.3
263.12906	0.3
264.26312	0.3
271.02374	0.3
275.16574	0.5
277.14374	0.9
279.16104	0.8
291.12460	0.7
291.15918	4.8
292.16513	0.5
293.14236	0.5
300.02887	0.7
301.03116	0.3
303.19656	0.9
318.17059	0.5
345.20731	1.0
363.21832	5.0
364.17130	0.3
364.21884	0.6
373.23840	4.5
373.34183	0.3
375.21460	0.3
396.55685	0.3
401.23499	0.3
415.24908	3.4
416.25021	0.5
433.26016	100.0
434.26373	17.2
454.80215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03435	0.4
59.01376	1.7
70.17770	1.2
71.05009	1.1
78.95912	3.6
85.06584	0.9
87.04520	0.3
96.96987	0.5
97.02960	2.4
99.08190	0.4
101.06099	0.5
109.02957	0.3
109.06586	0.6
111.00938	0.4
111.04510	0.7
113.06102	0.2
121.06602	0.9
123.04522	0.8
123.08170	0.7
125.02433	0.4
125.06118	0.4
135.08290	0.3
137.02510	0.5
138.03287	0.3
139.00357	0.8
139.04050	0.7
139.11278	0.5
141.09233	0.2
151.04036	3.4
151.07635	1.1
152.99609	8.0
154.22765	0.3
158.98409	0.2
163.07701	0.4
165.01978	0.3
165.05592	3.6
166.02689	0.5
166.06030	0.2
171.00571	0.3
177.01944	0.6
177.09218	2.6
179.03612	0.3
179.07153	0.5
179.10834	0.3
189.05605	0.6
191.03497	0.5
191.14517	0.3
193.05092	2.5
193.08745	0.3
194.05847	4.4
195.06639	19.9
196.07036	1.2
197.15511	0.3
203.07193	0.4
207.06636	37.5
208.07153	3.7
209.08162	1.1
212.85829	0.3
221.08202	30.0
222.08612	2.4
223.09647	0.2
233.08174	0.5
240.06197	0.3
246.12279	0.3
247.09741	0.9
247.17076	2.7
251.09198	0.7
265.10703	1.2
266.11438	0.5
279.12048	0.3
279.98218	0.2
293.13974	5.1
294.14731	10.6
295.15134	0.9
303.12433	0.5
321.13440	0.7
321.17044	0.5
321.20694	0.6
331.15543	0.8
346.17905	0.4
347.18631	0.9
359.18826	0.4
363.18063	0.5
364.18909	5.1
365.19424	0.4
385.20309	0.6
415.24557	1.1
433.25980	100.0
434.26346	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2597
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.19593	0.4
57.03457	2.1
69.46088	3.4
71.04974	0.5
79.67662	0.3
83.01410	0.6
86.78007	0.3
93.54256	0.3
97.02952	2.6
97.06612	0.7
107.05003	0.3
109.06583	0.9
111.66628	0.3
116.08675	0.3
123.04536	0.6
124.47713	0.3
137.09735	0.3
138.03249	0.4
151.04041	4.2
151.07663	1.2
163.07686	0.5
165.05579	1.2
177.01939	0.6
177.09238	1.2
177.88177	0.4
179.03555	0.4
179.07121	0.8
180.04247	0.4
189.05667	0.4
193.05092	2.3
194.05846	4.5
195.06599	2.7
207.06636	60.3
208.07228	7.4
209.07825	0.4
221.06024	0.7
221.08186	12.9
221.15465	1.0
222.08444	0.6
249.11275	1.5
259.09595	0.3
261.14923	0.4
263.13010	0.4
273.18784	0.5
287.12946	2.4
288.13538	0.5
291.47702	0.3
293.14059	0.4
294.14746	1.5
305.13962	11.7
306.14398	1.6
307.15515	9.4
308.15994	0.6
321.17047	1.1
331.15210	0.5
346.17737	0.4
347.14917	0.6
347.18729	0.7
349.16733	0.5
363.18213	0.7
364.18890	9.0
365.19321	1.1
373.36884	0.3
389.26883	0.5
433.25977	100.0
434.26309	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	433.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26604	1.0
57.03450	8.7
59.01379	5.6
69.82889	8.0
70.39190	1.0
71.05019	2.3
83.01394	69.8
83.73151	1.2
84.01723	1.6
85.02958	26.6
87.04533	2.4
95.05015	6.4
97.02957	4.4
101.47645	1.1
107.94384	1.0
109.06605	7.0
111.04527	3.8
116.22316	1.0
119.80592	1.1
121.06590	1.3
123.04530	2.3
125.06071	2.4
125.45197	1.0
130.24139	1.2
135.08167	1.5
137.02493	1.8
138.03244	2.1
139.04021	1.6
149.06100	1.8
151.04036	8.4
151.07735	2.7
163.07613	1.9
164.04808	3.3
165.05621	5.5
165.06747	1.1
167.03452	2.7
170.02184	2.5
177.01917	1.6
177.09212	2.5
179.03519	1.9
179.07185	1.5
180.04247	1.2
191.10672	1.2
192.04303	2.1
193.05084	11.0
194.05841	10.4
195.06593	5.1
203.10814	1.2
205.08734	5.8
207.06647	77.4
207.09932	3.2
208.07222	9.2
209.08086	1.8
209.11813	1.7
217.12375	1.8
219.06738	1.3
219.10321	1.6
219.13945	1.7
220.03902	2.0
221.08177	19.8
221.11748	1.6
221.15419	2.6
222.08549	1.9
233.08018	1.2
233.11893	3.4
235.06099	1.6
235.09715	1.8
236.06877	2.1
247.09731	2.1
249.11346	2.4
253.10802	2.3
261.11337	9.4
261.14911	7.1
262.11942	2.6
263.12891	3.8
275.12851	2.6
287.12784	3.5
291.12350	3.8
292.12988	2.7
293.13974	13.3
294.14493	5.0
303.12656	1.4
303.16095	5.1
304.13123	2.0
305.13922	16.6
306.14432	2.3
307.15530	11.7
308.15765	1.5
313.77844	1.2
321.17072	2.3
338.80814	1.4
345.20758	2.1
347.15005	44.7
348.15295	4.3
359.18646	6.5
363.22009	1.5
364.18909	9.7
373.16235	1.7
373.20309	2.8
401.19962	5.3
415.21085	2.1
416.21994	1.7
433.21613	46.1
433.25940	100.0
434.22104	9.0
434.26379	15.0
448.20975	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	433.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61510	0.7
53.59636	0.7
55.01929	0.9
57.03512	5.0
59.01445	6.3
61.98878	1.1
67.26940	0.9
68.99872	1.4
70.96916	0.8
71.05079	0.8
71.48427	0.7
71.72136	0.8
83.00922	2.5
83.01398	61.8
83.05085	1.7
84.01813	2.0
85.02470	2.1
85.02962	53.4
85.06648	1.9
86.03371	1.4
87.04532	5.4
95.05038	11.5
99.08212	0.9
101.06136	2.7
104.07763	0.8
109.03021	0.9
109.06650	3.0
109.78587	0.7
111.04591	2.6
111.08195	0.8
117.03494	14.5
117.04260	1.2
118.03864	1.1
119.05033	7.2
121.03033	1.4
121.06632	1.0
123.04578	2.0
125.06129	3.1
127.04070	0.9
137.02480	1.8
137.06100	1.1
137.09752	1.3
138.03201	1.1
139.04044	2.3
139.07626	1.0
141.09244	1.4
145.02977	100.0
146.03352	5.0
149.06160	1.1
149.09665	0.9
149.47406	0.8
151.04016	6.8
151.11295	1.0
153.09111	0.8
155.10768	2.4
163.04028	5.9
163.07629	1.4
164.04782	2.2
165.05560	2.8
165.09201	1.3
166.02614	1.5
167.03470	1.3
167.07109	0.8
170.02228	1.4
175.07530	1.1
175.11301	0.9
177.01901	1.2
179.03430	1.2
179.07115	1.1
184.03802	1.3
189.12721	1.0
191.07011	1.0
191.10692	0.8
192.04276	1.3
192.21144	0.8
193.05075	12.9
194.05846	15.1
195.06122	1.7
195.10219	1.6
197.15417	1.1
201.01913	1.0
205.08719	8.1
207.06549	2.6
207.10175	1.5
209.11765	1.6
217.12141	3.1
219.06366	1.4
219.10123	1.3
221.11694	1.9
221.15338	2.0
223.09624	1.7
225.14883	2.2
233.11659	3.1
234.12393	1.1
235.06067	1.1
235.09627	2.4
236.10243	1.5
247.09573	1.0
247.13162	1.1
249.11118	1.3
253.10358	0.9
261.11081	10.1
261.14578	2.6
262.11981	4.4
263.12836	13.5
272.02951	2.3
275.12885	3.9
287.22321	10.1
289.21582	1.2
291.12198	1.6
293.13922	7.2
300.02338	1.3
303.15594	3.1
304.12341	0.9
331.18707	1.6
345.20135	1.9
345.57858	0.8
347.15073	19.7
348.14783	3.3
359.18060	1.6
363.21222	1.3
373.15817	1.4
373.19803	1.7
401.19727	4.6
415.20270	1.1
416.21039	2.2
433.21332	62.0
434.21667	11.1
448.20084	2.4
449.20337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89882	1.2
51.00900	0.9
55.01877	26.9
55.28757	1.0
57.03447	16.4
59.01377	23.0
61.98827	6.1
69.03454	1.7
71.01395	8.1
71.05021	3.7
71.72639	1.8
73.02950	2.3
83.01395	51.9
83.05018	8.9
83.09885	1.3
85.02959	18.1
85.06593	4.7
87.00874	5.9
87.04535	14.9
95.05024	8.9
97.06583	1.7
99.00883	1.8
99.04568	2.1
101.06081	10.0
107.05019	1.7
109.02971	2.0
109.06619	5.3
111.04536	5.0
111.08189	2.1
117.01974	2.0
123.04547	2.2
123.08167	2.4
125.02469	26.5
125.06124	6.1
127.03933	1.4
127.07646	1.9
128.12575	1.1
133.06641	2.0
135.08174	1.6
137.02451	5.5
137.06143	1.5
137.09752	2.5
138.03220	1.5
139.04028	3.4
141.09201	6.2
147.08203	1.5
149.06126	2.0
149.09671	2.0
151.04031	4.6
151.07690	1.2
151.11305	5.4
153.09317	1.2
154.02734	48.1
155.03148	1.6
155.10774	5.2
158.02208	6.0
161.09679	2.2
163.04050	2.0
163.07640	2.2
164.04800	2.7
165.05559	4.2
165.09248	3.2
165.12825	3.3
166.02829	1.2
167.03557	1.7
167.10840	1.3
170.02216	2.6
174.64944	1.2
175.07671	1.8
179.10779	2.5
180.04315	1.4
181.08713	2.7
181.12358	3.4
189.12862	1.2
191.07216	3.1
191.10817	2.5
192.04247	3.0
193.05069	8.1
193.08694	1.5
194.05907	1.2
195.06586	2.6
196.26660	1.2
197.11826	2.4
197.15535	5.3
205.05107	1.6
205.08745	1.6
207.06624	2.8
207.10330	1.9
207.13890	2.0
209.08179	3.9
209.11781	8.4
217.12363	2.0
219.17538	2.6
221.08205	4.2
221.11841	1.9
221.15410	1.8
223.09766	100.0
224.10129	8.0
225.11281	3.2
225.14952	14.8
235.06218	1.6
235.09624	2.4
247.09589	1.4
249.11375	1.4
253.10817	10.6
255.02841	1.4
261.11389	6.0
261.14905	3.5
263.12891	3.4
267.12479	1.6
275.12894	6.2
277.14651	1.4
289.18735	1.8
289.21725	20.2
290.22076	3.3
291.12561	5.9
291.15399	1.7
293.13947	41.0
294.14273	3.7
300.02417	1.5
303.16165	1.9
304.12897	1.4
305.13837	2.0
305.21365	1.4
309.13446	26.7
309.16928	2.6
310.13803	3.7
322.14142	12.4
323.14536	2.2
345.20844	3.2
347.14905	7.7
348.15497	1.6
359.18704	2.3
373.20056	2.7
387.18060	13.2
401.19760	3.0
417.76263	1.2
433.21179	18.4
433.26282	16.9
434.22525	4.5
434.27252	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	433.1141
Annotation	Schoenoside
Peak:m/z	Relative Intensity
53.32270	0.4
54.87112	0.6
57.03451	1.3
57.61314	0.3
58.00580	0.5
59.01377	7.0
59.30801	0.3
60.98530	0.4
61.98840	0.8
63.02398	4.4
65.00321	8.5
68.99815	0.4
69.69203	2.6
71.01400	0.9
73.02963	0.6
77.93908	0.4
78.53287	0.4
81.03468	1.1
83.01395	5.7
85.02967	0.8
89.02461	0.7
89.45136	0.3
93.03475	1.9
95.01388	1.3
96.02206	1.0
101.02452	0.8
103.04037	0.5
107.01402	10.9
110.00123	0.4
111.00879	2.0
113.02450	0.5
117.03455	2.2
119.05028	2.2
121.02972	0.4
123.00912	3.8
124.01675	15.5
125.02470	15.4
126.02792	0.4
131.05034	0.5
133.02974	0.8
134.03738	3.1
135.04562	4.5
137.02486	0.6
139.00394	3.5
140.46991	0.4
141.01958	2.0
149.02515	0.7
151.00389	41.4
152.01172	95.7
153.01485	4.6
157.06595	0.6
159.04510	0.5
165.01942	0.6
169.01465	3.9
169.06494	0.6
172.05324	0.6
173.06090	1.7
175.04126	0.5
177.02036	0.4
177.05560	1.2
178.99873	100.0
180.00349	7.2
181.01273	0.4
181.06633	0.5
192.00688	0.5
193.01407	0.6
196.05251	0.5
197.06100	1.3
199.03998	0.5
201.05548	2.2
215.07178	2.0
225.05609	3.1
229.04944	0.5
241.05057	1.1
243.06581	2.3
256.61905	0.4
259.06097	26.4
260.06409	2.2
269.04529	77.7
270.04846	7.4
271.02786	0.6
271.06088	5.9
272.06372	0.7
286.04813	14.3
287.05597	26.1
288.05948	2.6
300.02759	1.5
301.03540	0.8
421.16638	0.4
433.11420	72.1
434.11774	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	433.2234
Annotation	Lophanthoidin F
Peak:m/z	Relative Intensity
57.03456	6.2
59.01379	10.6
61.98815	5.8
62.30877	1.1
68.99819	1.9
71.01404	1.5
71.05025	1.6
71.71986	1.3
71.72386	2.4
81.03478	1.8
83.01398	80.0
83.05047	3.6
84.01745	2.6
85.02962	28.2
85.03450	2.2
85.06603	8.3
87.04521	11.7
95.05051	14.9
97.02984	2.3
99.08187	1.4
99.79474	1.2
107.05036	1.9
109.02976	2.9
109.06622	4.0
111.04540	14.5
121.06628	2.8
123.04523	2.2
123.08177	2.3
125.02476	1.4
125.05317	1.2
125.06076	6.8
127.07626	1.5
137.02458	3.3
137.06108	2.1
137.09778	2.5
145.02966	2.2
149.06122	2.6
151.03998	7.7
151.07730	2.8
153.05579	2.4
153.09224	1.9
163.04053	1.4
163.07631	3.1
165.05576	5.0
165.09296	2.8
167.03481	1.6
175.11330	2.7
177.09196	4.8
179.07143	2.3
179.10818	1.9
181.05112	2.3
181.08711	2.1
184.03862	2.8
193.05093	9.2
194.05812	6.6
195.06622	4.7
201.09212	1.9
202.27977	1.3
203.10693	1.4
205.08745	3.2
205.12349	1.3
206.05804	1.3
206.09256	1.5
207.06654	8.0
207.10265	1.3
207.13940	1.9
209.08286	2.3
217.12328	6.3
219.06706	3.2
219.10275	10.3
219.13754	1.6
221.08205	2.8
221.15498	1.6
223.09662	2.8
226.05096	1.7
233.08290	2.4
233.11861	4.2
235.09760	2.1
247.09816	8.1
247.13472	1.8
249.07704	2.8
250.08353	2.2
259.13400	1.6
261.11325	28.0
261.14536	1.7
261.15045	1.5
262.11871	4.5
263.12854	3.9
275.12979	2.2
289.14471	2.9
291.12631	2.7
293.14246	2.0
293.17673	2.6
300.02866	3.2
301.03458	1.5
303.12411	13.8
303.16025	4.3
304.13028	2.1
305.14114	2.8
305.17520	2.7
307.15424	1.3
315.16364	1.6
315.19724	5.2
317.17416	1.4
345.17084	2.1
345.20850	2.3
347.15024	20.7
348.15341	2.8
359.18646	45.8
360.19040	4.9
373.20062	3.6
389.19571	3.2
401.19608	6.9
402.20044	2.1
415.21066	2.5
416.22092	1.5
433.07932	2.7
433.21741	100.0
433.27039	5.0
434.22321	16.7
448.21042	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67993	0.5
55.09000	0.5
55.54060	0.5
57.03415	0.6
59.01322	10.3
59.01642	0.8
60.99281	1.1
61.98773	39.7
61.99129	3.1
65.00322	4.5
66.26634	0.5
68.99785	0.7
69.03408	0.8
71.01383	3.1
73.02930	0.6
79.01840	1.1
81.03476	2.8
83.01398	3.2
85.02914	1.3
88.98817	13.8
89.02386	2.4
93.03473	5.3
95.01346	1.4
97.02948	4.0
101.02374	2.3
105.03418	1.6
107.01397	4.8
107.04971	0.5
109.02912	1.5
113.02438	1.3
117.03428	0.6
119.01259	0.5
119.05045	35.6
120.05316	1.6
121.02969	6.5
121.10207	0.7
123.00826	1.8
123.04446	1.8
123.08080	0.7
125.02464	14.7
126.02733	1.1
135.00862	0.6
136.01620	1.1
136.05342	0.6
137.02449	3.9
143.05052	3.7
145.02876	2.3
147.04433	0.8
149.02438	5.7
151.00398	12.1
151.03951	1.1
152.00697	0.7
155.03432	1.4
161.04538	1.1
161.06003	1.3
163.00386	4.6
163.03944	1.7
164.01123	1.3
165.00720	0.6
165.01956	8.6
165.09222	8.7
167.03548	3.2
167.04669	0.7
169.01378	0.5
177.01898	2.4
179.03432	1.8
179.05623	0.8
185.05978	2.2
187.04045	3.3
190.99808	1.2
191.01970	0.8
191.03531	10.4
191.07129	1.0
193.01428	26.9
194.01723	1.1
197.04463	0.7
205.01314	2.2
207.02982	1.5
211.09683	0.6
219.02939	2.3
223.02481	4.0
227.07089	2.0
229.41537	0.7
233.35330	0.5
241.08653	2.0
243.06685	0.5
269.08194	2.6
271.06094	8.8
272.06403	0.7
283.06049	2.3
295.06174	0.9
313.07172	100.0
314.03876	0.8
314.07492	10.9
325.07181	2.6
343.08237	26.7
344.08545	2.5
355.08392	1.5
371.09515	3.4
371.13760	8.1
401.12366	1.7
415.10364	2.3
433.11502	22.2
433.24496	1.9
434.11789	3.2
448.95300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01381	24.3
60.01715	1.6
61.01806	0.7
61.98832	100.0
65.00312	0.7
65.85165	0.3
71.01389	3.3
71.72135	0.5
72.01721	0.3
72.99279	0.3
73.02955	0.9
73.64597	0.4
74.02470	2.0
74.99108	0.7
83.01407	0.8
85.02967	1.1
89.02451	1.5
93.03481	0.5
95.01417	0.5
99.00909	0.4
101.02458	2.1
107.01437	0.8
109.02972	0.4
113.02451	0.7
119.05050	0.6
125.02513	1.6
136.99165	0.9
145.03003	0.9
151.00389	3.4
152.01236	0.7
153.02055	0.5
161.02547	0.4
161.04626	1.3
161.05919	0.3
162.04868	0.4
175.03928	0.4
177.01970	0.3
177.03827	0.4
178.99924	1.3
181.05185	0.4
185.06113	0.5
191.05632	0.5
197.11873	0.7
201.05765	0.4
229.05066	6.0
229.07150	0.4
243.02997	0.6
253.05124	1.1
255.03163	0.7
259.06158	0.4
269.04630	2.9
270.14285	0.3
271.02502	2.0
271.06073	2.1
271.15497	0.5
283.06143	0.5
286.04996	0.4
287.05856	0.4
300.02679	3.3
301.03580	0.8
313.07242	0.5
347.04428	0.4
371.20950	0.5
372.21179	3.4
394.69415	0.4
401.12494	0.6
402.05545	0.3
432.06628	0.5
432.22659	2.9
433.08377	1.9
433.11679	1.3
433.24200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0779
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
65.00320	0.6
67.63493	0.4
69.59283	0.6
69.59691	2.4
70.25342	0.4
83.01414	0.7
96.55545	0.3
98.20716	0.3
99.50510	0.3
107.01414	2.2
108.02175	1.4
109.02979	1.1
110.59224	0.4
119.05035	1.1
121.02961	1.4
125.02423	0.8
135.00893	0.9
148.01682	1.6
149.02364	0.5
151.00378	6.6
163.00401	2.1
164.01122	0.7
169.01443	0.6
178.99895	3.4
183.04462	0.6
185.06099	0.6
187.04047	0.4
193.01413	1.0
198.03210	0.4
199.03917	0.4
209.05969	0.4
211.04045	1.1
215.03519	0.5
216.04305	0.8
226.02660	1.3
227.03586	2.3
227.07179	2.5
243.02986	11.5
244.03351	1.1
245.04457	0.8
253.05057	1.2
254.02223	2.2
255.02982	23.9
256.03317	2.3
271.02478	53.5
271.05841	2.2
272.02902	6.2
283.02341	1.0
299.01929	1.2
300.02759	100.0
301.03397	28.3
302.03979	1.5
313.07068	2.2
339.85608	0.4
343.04471	0.6
433.07748	60.2
434.08057	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87186	0.3
57.03429	1.2
59.01349	1.7
59.71676	0.4
64.38212	0.4
65.20296	0.4
70.59645	1.4
71.05015	0.9
73.51364	0.4
83.01368	1.1
83.05006	0.4
95.01367	0.4
97.06629	0.5
107.04972	0.7
111.04506	0.6
113.02477	0.6
122.03722	0.5
123.04491	1.7
125.06068	0.4
129.56239	0.3
135.04489	0.5
138.03206	1.5
139.03951	1.4
149.02455	0.6
149.06010	0.6
151.04027	16.4
152.04590	1.4
163.03972	1.1
163.07672	0.5
165.01868	0.4
165.05542	2.5
165.09114	0.5
165.12904	0.5
166.06325	0.9
173.74930	0.4
177.01942	2.0
177.05481	1.0
177.12784	0.4
178.02614	0.6
178.06367	3.3
179.03424	1.4
180.04268	3.1
181.05045	0.8
181.12303	0.4
191.03485	0.8
193.05078	29.7
194.05853	17.5
195.06287	1.3
195.13824	0.4
205.05072	16.8
206.05788	4.2
207.06624	3.8
207.10153	1.5
207.13812	0.9
209.04518	0.5
210.05310	0.8
217.05002	0.9
219.06662	2.5
219.10237	0.7
221.08104	0.7
221.11838	0.9
222.08469	1.0
223.06128	39.1
224.06830	8.8
225.07211	0.5
235.06113	0.7
237.07594	1.2
238.04749	0.7
249.07657	0.6
277.14398	0.7
287.12729	0.7
290.15100	0.7
305.13785	1.4
307.15421	0.5
310.14246	0.6
315.15680	0.5
329.13489	0.5
331.15115	0.5
332.16159	0.7
344.16101	1.2
345.16714	0.6
345.20584	0.5
357.24057	1.2
359.22229	6.6
360.22589	0.8
361.20160	0.9
362.16782	0.8
362.20779	2.4
387.95920	0.4
401.23386	3.8
402.23450	1.0
412.05408	0.5
413.23322	4.0
414.23425	0.7
431.24158	100.0
432.24490	17.8
432.29831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96339	0.5
52.65059	0.5
55.01855	0.8
57.03449	3.0
59.01368	1.7
71.05025	4.9
71.18362	1.0
73.02924	0.9
78.95889	1.0
83.68531	0.6
85.06592	1.0
95.05015	1.2
97.02965	5.9
97.06610	7.5
101.02439	0.6
107.04983	0.5
109.06582	1.5
111.04500	2.3
111.08167	0.8
121.06586	0.9
122.03714	0.6
123.04544	0.7
123.08158	1.3
124.05322	4.2
125.06073	2.2
137.02493	0.5
137.06053	1.4
137.09734	1.2
139.04010	0.6
139.07672	5.7
151.03952	1.7
151.07642	1.1
152.04761	1.0
152.99593	1.4
153.09242	0.8
175.11217	0.6
177.12781	1.6
179.03479	1.7
179.07048	0.7
180.04204	2.4
185.50090	0.5
191.10777	0.7
193.05003	2.0
193.08615	0.7
193.12329	1.3
195.06691	0.8
196.03650	0.7
199.16417	0.5
205.05099	0.7
205.08611	0.6
207.06679	3.2
207.13766	0.7
208.07259	1.1
209.08130	1.5
221.04555	2.2
221.08194	9.3
221.11702	1.2
222.08977	14.4
233.04413	0.8
233.08127	0.9
235.09673	0.9
246.95862	0.5
261.15033	0.7
264.10004	4.3
276.09976	1.9
289.14340	0.6
289.56360	0.5
294.11148	8.2
295.11411	0.6
307.15454	2.0
331.19052	0.6
345.16891	0.9
345.20648	0.6
359.18661	4.5
361.20068	2.8
375.21655	1.0
401.23395	0.9
413.23035	2.0
431.24231	100.0
432.24548	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	431.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07465	0.3
52.82991	0.3
55.01878	0.8
55.91449	0.3
57.03447	3.6
57.98238	0.4
59.01362	0.5
63.08236	0.4
69.40440	4.1
71.05024	7.0
73.02952	0.6
78.95912	3.8
96.96967	0.5
97.02966	10.5
97.06604	15.5
98.06966	0.6
111.04527	0.6
111.08195	0.7
121.06612	1.0
123.04537	1.0
123.08195	1.7
125.06132	0.8
135.04575	0.5
135.08191	1.4
136.05357	0.4
137.09758	0.8
137.88982	0.4
141.68158	0.4
147.08167	0.4
149.06120	1.8
149.09712	0.7
151.04065	0.7
151.07658	1.3
152.99602	7.3
153.09242	0.7
161.06084	0.5
163.07652	1.3
163.11285	2.0
171.00743	0.6
171.15356	0.4
173.09724	1.0
175.07591	0.4
175.11263	2.2
177.12891	2.5
179.07158	2.2
179.10808	2.0
180.04306	0.7
189.09357	0.5
189.12897	1.5
193.05109	1.3
193.12308	1.2
194.05838	0.8
203.10779	0.5
203.14452	0.5
205.05045	1.3
207.06625	0.7
217.12270	0.5
219.06534	0.7
219.13850	0.8
221.08191	2.3
222.08928	1.7
223.02713	0.4
223.06110	1.6
233.08302	0.4
241.16010	0.7
243.13953	0.3
247.17056	1.3
259.17087	0.7
273.18423	0.8
306.14597	0.5
311.19919	0.5
329.21210	4.6
330.21371	0.6
355.19308	2.3
355.22922	0.4
357.17133	0.7
369.24353	1.3
387.25330	1.8
401.23083	0.4
413.23242	0.5
431.24347	100.0
432.24722	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	431.2441
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
55.17727	0.7
60.84283	0.7
66.43340	0.6
70.47956	1.2
111.04666	2.1
125.02552	1.6
147.14476	0.7
153.02039	1.6
154.02863	1.2
177.05701	2.3
180.00763	1.7
181.01572	1.8
181.05080	3.8
182.02234	5.0
195.06636	27.1
196.07097	1.0
206.05882	1.0
207.06694	3.2
209.04689	2.0
209.08313	2.5
210.05482	1.8
221.08347	2.4
223.06122	31.4
223.08252	1.6
224.06902	48.9
225.07359	2.5
235.06233	2.2
236.07004	1.2
237.07889	3.4
291.12274	1.0
317.17703	1.9
333.17108	0.6
344.16403	0.9
345.17047	1.9
362.17352	100.0
363.17691	13.4
397.88409	0.7
413.23148	1.4
431.24313	71.5
432.24725	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	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
71.05016	0.6
71.36483	0.5
79.01907	0.5
85.06609	0.6
94.13008	0.3
111.04525	3.0
123.04534	0.4
123.08177	0.8
130.23515	0.3
139.03984	0.6
146.31369	0.3
151.04019	3.8
152.04817	1.1
153.09224	0.4
165.05586	0.5
165.09264	0.5
166.02731	0.7
177.01935	0.7
177.09245	0.8
179.03517	2.3
180.04303	9.4
181.04762	0.9
191.10965	0.3
193.08707	1.7
194.09535	0.5
203.07124	1.6
205.08719	0.4
207.06613	5.1
208.07344	2.3
209.08211	5.3
209.15436	0.4
210.08434	0.3
221.05022	0.5
221.08189	32.5
222.08957	54.9
223.09302	5.0
233.08238	1.2
235.09750	2.5
254.07904	0.4
273.11276	1.0
301.14365	0.7
319.15488	0.7
344.16190	0.7
359.35379	0.3
361.16241	0.6
362.17270	1.2
431.24332	100.0
432.24698	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	431.2438
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
53.66265	0.4
57.03449	2.4
59.01374	2.9
68.99802	0.6
70.59283	1.4
71.05017	1.4
73.02953	0.9
76.27814	0.4
77.40456	0.5
78.95873	1.0
79.01884	2.0
83.05018	0.9
83.41054	0.4
87.04533	0.6
97.02964	30.5
97.06596	1.1
98.03300	0.9
99.08164	0.6
101.06109	0.5
109.06587	0.8
111.04524	0.5
114.90767	0.4
121.06629	0.7
123.04536	0.9
123.08201	0.6
125.02470	0.6
125.06123	5.6
137.06038	0.6
137.09712	0.5
151.00359	0.6
151.03996	1.4
151.07701	0.5
151.11314	3.5
152.04845	3.0
152.99562	1.6
153.02103	0.5
153.09209	1.0
163.07640	0.7
165.05595	0.6
177.09241	0.7
178.06393	2.4
179.07161	1.4
180.04294	2.9
181.05031	1.5
184.03847	3.2
191.10722	1.0
193.04997	0.5
194.05832	0.5
195.06471	0.5
195.13885	0.5
203.10721	0.5
203.14581	0.7
205.05051	2.7
205.12410	0.5
206.05797	2.2
207.06642	4.8
207.10153	0.6
208.07301	1.8
219.06654	2.9
219.10304	0.5
219.13937	0.5
219.17560	2.1
221.08151	2.5
221.15416	1.3
222.08679	2.3
223.08945	1.6
233.08176	0.5
235.46400	0.4
238.04823	1.2
247.09744	0.9
249.07684	7.6
250.08215	0.7
251.12971	0.8
261.14877	0.8
275.12814	0.4
277.10583	0.7
277.14325	0.7
287.12888	0.7
289.14322	1.2
289.21732	12.1
289.24979	0.7
290.22009	1.6
303.12411	2.3
303.15536	0.5
304.12817	0.4
305.14078	3.9
305.17511	0.6
306.14465	1.0
309.22147	0.5
319.11874	0.6
319.15445	0.9
324.05420	0.4
333.13348	2.6
334.14157	1.8
334.17725	0.5
345.16965	2.8
346.17526	0.6
347.14847	4.4
361.20151	0.6
362.17255	5.9
363.17593	0.5
366.13150	0.8
386.38995	0.4
394.16290	2.2
431.24344	100.0
432.24661	14.8
432.38654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03450	1.0
58.00610	0.3
59.01380	100.0
60.01720	1.5
61.01826	0.3
61.87869	0.2
61.98833	12.6
67.31488	0.2
69.69857	1.8
71.01389	9.8
72.01715	0.3
72.99321	0.4
73.02956	3.4
75.00890	0.4
80.97038	0.2
81.03449	0.2
83.01403	1.4
83.05090	0.3
85.02957	5.0
87.00885	0.3
88.98814	0.8
89.02451	2.8
93.03506	0.5
95.01386	0.8
96.24775	0.2
99.00898	1.5
101.02458	8.9
102.02818	0.2
104.50005	0.2
107.01373	0.3
113.02470	4.5
119.03535	0.9
120.99728	0.2
125.02487	0.6
129.01950	0.4
143.03551	0.6
151.00385	1.4
159.03055	1.0
159.04417	0.3
161.02516	0.3
161.04578	8.3
162.04839	0.3
173.06122	0.3
175.03964	0.3
178.99908	0.6
179.05675	0.3
187.07626	1.3
191.05615	0.6
201.05571	0.4
209.11963	0.3
209.15488	1.2
215.03467	0.3
231.03061	0.2
231.06602	0.4
231.10194	1.1
233.04857	0.2
241.01472	0.3
241.14503	0.3
251.12817	0.3
257.08316	0.4
269.14072	1.1
269.16913	0.3
271.02429	0.5
275.09125	0.3
299.02029	0.3
313.03674	0.5
327.94501	0.2
341.03220	0.5
371.20758	22.8
372.21103	3.5
431.05997	2.6
431.22638	2.3
431.28024	0.3
432.06750	0.6
432.23138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03450	1.0
58.00610	0.3
59.01380	100.0
60.01720	1.5
61.01826	0.3
61.87869	0.2
61.98833	12.6
67.31488	0.2
69.69857	1.8
71.01389	9.8
72.01715	0.3
72.99321	0.4
73.02956	3.4
75.00890	0.4
80.97038	0.2
81.03449	0.2
83.01403	1.4
83.05090	0.3
85.02957	5.0
87.00885	0.3
88.98814	0.8
89.02451	2.8
93.03506	0.5
95.01386	0.8
96.24775	0.2
99.00898	1.5
101.02458	8.9
102.02818	0.2
104.50005	0.2
107.01373	0.3
113.02470	4.5
119.03535	0.9
120.99728	0.2
125.02487	0.6
129.01950	0.4
143.03551	0.6
151.00385	1.4
159.03055	1.0
159.04417	0.3
161.02516	0.3
161.04578	8.3
162.04839	0.3
173.06122	0.3
175.03964	0.3
178.99908	0.6
179.05675	0.3
187.07626	1.3
191.05615	0.6
201.05571	0.4
209.11963	0.3
209.15488	1.2
215.03467	0.3
231.03061	0.2
231.06602	0.4
231.10194	1.1
233.04857	0.2
241.01472	0.3
241.14503	0.3
251.12817	0.3
257.08316	0.4
269.14072	1.1
269.16913	0.3
271.02429	0.5
275.09125	0.3
299.02029	0.3
313.03674	0.5
327.94501	0.2
341.03220	0.5
371.20758	22.8
372.21103	3.5
431.05997	2.6
431.22638	2.3
431.28024	0.3
432.06750	0.6
432.23138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99791	0.4
57.01088	0.4
57.03436	2.0
58.00613	0.4
59.01379	50.0
60.61163	0.4
60.99296	0.5
61.98834	6.1
71.01034	0.6
71.01390	6.3
72.99295	0.6
73.02950	2.4
78.98502	0.4
83.01395	2.7
83.05033	0.8
84.95808	0.4
85.02949	2.4
87.00889	0.8
88.98814	4.6
89.02464	3.8
93.03455	1.0
95.01395	0.4
99.00898	0.4
99.04553	3.4
101.02446	3.6
109.06603	0.5
109.66711	0.4
113.02466	3.5
119.03505	1.2
121.06603	1.5
123.04485	0.5
125.02445	0.8
151.00345	0.8
151.03999	0.6
161.04562	0.9
163.00362	0.5
163.11256	0.6
165.01869	0.4
165.12866	4.2
175.02481	1.4
187.04190	0.4
187.07634	0.7
189.12866	1.2
191.05569	2.4
191.10873	0.5
207.13916	9.0
208.14296	0.7
209.11836	10.4
210.12181	0.9
213.09167	0.5
215.60451	0.5
219.08778	0.6
221.08255	0.5
222.08638	0.9
223.09273	0.5
225.15001	4.9
227.03477	6.5
228.03767	0.6
229.05104	1.1
231.10170	0.5
231.13860	0.6
251.12866	5.7
255.02960	6.9
256.03604	0.6
257.04373	0.5
257.08228	1.1
269.13928	100.0
270.01630	0.4
270.14255	9.0
271.02545	0.4
275.12906	0.9
284.03299	5.5
285.04041	9.1
286.04425	1.1
293.13943	1.7
299.01907	0.4
311.14975	2.1
420.51413	0.5
430.27109	0.5
431.09958	6.5
431.19061	2.4
431.23245	1.8
431.27820	0.9
432.10535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46605	0.9
57.03440	1.3
57.50723	1.0
59.01381	14.7
61.98825	4.5
65.00318	1.6
70.85750	2.5
71.01374	3.9
81.03461	3.5
85.02941	2.4
88.98817	1.8
89.02490	1.7
93.03468	1.7
99.00958	1.0
101.02465	1.4
111.04529	1.1
113.02506	1.3
118.28113	1.1
122.03812	1.4
125.02472	7.8
125.06120	2.5
135.09673	1.1
144.90723	1.0
147.30661	1.1
161.04672	1.3
165.09235	21.2
166.09598	1.7
173.04529	1.1
188.64540	0.9
191.05621	6.4
209.08202	100.0
210.08543	6.8
222.08591	1.4
227.03511	4.2
230.73219	0.9
255.02968	6.4
257.08191	3.2
269.13943	10.7
269.16977	1.3
269.17490	1.1
284.03259	5.0
285.04074	8.5
286.04514	1.0
345.79584	1.0
371.13501	10.3
375.96231	1.1
407.92862	1.1
415.22861	1.0
431.09726	5.7
431.27582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88596	0.5
57.03437	1.8
59.01381	41.4
61.98834	43.4
63.02386	0.6
65.00313	0.9
68.20499	0.6
69.03437	1.7
71.01392	6.3
71.05009	1.1
71.71526	0.6
72.99297	0.6
73.02933	2.4
81.03481	1.0
83.01386	2.7
83.05025	0.9
85.02977	3.0
85.03378	0.5
87.00883	1.4
88.98800	2.6
89.02471	3.4
93.03456	1.9
97.06542	0.6
99.04517	0.6
101.02447	4.4
107.01390	2.2
109.03007	0.7
111.08158	1.3
113.02428	2.7
119.03504	1.4
121.02940	1.4
121.38941	0.6
122.25217	0.6
123.08065	0.6
125.02448	3.7
125.06052	1.0
137.02412	0.9
143.05049	0.8
151.00362	2.1
153.09180	1.6
157.06584	0.8
159.04530	0.8
161.04620	1.1
163.00371	2.5
163.14929	0.9
165.09230	6.7
165.12854	3.4
167.05020	0.8
169.06606	1.2
178.99783	0.7
181.12379	3.0
183.04517	1.3
185.06068	1.6
187.04019	2.6
187.82680	0.6
189.05571	0.7
189.12810	1.3
191.05608	2.2
191.10759	5.0
199.03976	1.0
207.13925	25.2
208.14287	1.9
209.08232	29.2
209.11813	27.4
210.08528	1.9
210.12189	2.8
211.03981	3.2
213.05534	0.7
222.08832	0.7
225.15022	0.7
227.03505	39.4
228.03928	3.1
229.05032	8.9
233.11861	0.7
239.03490	1.4
240.04001	0.9
241.01451	0.8
241.04945	1.2
242.02188	1.2
251.12875	3.7
255.02983	57.1
256.03531	8.3
257.04605	6.1
257.08160	0.9
258.05243	0.8
267.02930	0.6
268.03778	1.2
269.13928	100.0
270.14227	9.8
271.02383	0.7
275.12784	2.0
280.61749	0.6
284.03265	51.2
285.04025	85.0
286.04327	8.4
298.01248	0.8
311.14957	1.2
338.69128	0.7
341.16132	0.7
371.13303	2.9
426.54700	0.7
431.09903	52.6
431.19281	6.3
431.23380	3.6
432.10129	7.8
432.19540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.00616	0.2
59.01381	6.9
59.82591	0.2
60.01710	0.3
60.99312	0.5
61.98838	7.7
67.01897	1.5
67.61745	0.2
68.99801	0.2
69.03463	0.6
69.47668	0.7
69.48093	1.1
71.01385	2.1
71.05008	0.2
73.02954	0.4
74.60804	0.2
81.03469	0.5
83.01390	0.4
83.05033	0.5
85.02962	12.6
86.03315	0.3
87.00887	4.3
88.98817	0.5
89.02465	0.6
93.03474	10.8
94.03804	0.3
99.00916	0.3
99.04539	0.7
101.02465	0.5
107.01482	0.2
108.02266	0.2
109.02988	1.5
111.04543	2.3
113.02473	0.7
123.04540	0.5
125.02483	1.6
127.04037	2.7
129.01965	0.5
129.05577	0.2
137.02449	0.5
151.00406	0.3
151.04047	0.5
155.03542	0.7
161.02481	0.7
161.04576	0.3
171.03040	0.7
173.04582	5.0
175.02464	0.2
187.04057	0.4
189.01900	0.2
191.05634	100.0
192.05988	4.5
196.37083	0.2
197.06129	1.0
198.06856	0.2
213.09227	9.5
214.02704	0.6
214.09570	0.9
215.03636	0.2
215.06972	0.2
217.05034	0.2
221.08272	0.4
222.08582	0.5
223.08942	0.2
231.10304	0.3
241.01442	2.8
241.05127	0.4
242.02182	1.0
243.03011	0.3
245.00900	1.0
247.09807	0.4
257.08188	29.7
258.08456	2.4
269.04535	0.4
269.13849	1.7
270.01706	2.6
271.02362	1.7
275.09253	0.6
289.07114	0.2
298.01248	1.5
299.01996	1.5
300.02182	0.2
395.13440	0.6
413.21802	0.6
430.26660	0.3
431.06268	4.5
431.13440	18.8
431.23029	0.7
432.07651	0.3
432.13840	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.3
61.98832	36.2
62.55108	1.4
65.57300	1.2
69.52142	1.3
69.63161	12.9
70.78289	1.5
71.01369	5.0
73.02962	2.6
79.49618	1.2
81.03445	2.1
83.01377	2.2
85.02948	2.6
87.00832	1.4
88.98801	2.8
89.02451	3.5
93.03490	2.0
98.19944	3.3
101.02445	4.2
103.19841	1.3
106.01129	1.3
113.02452	2.3
119.03435	1.8
122.03321	1.7
125.02451	5.3
125.06072	1.8
151.00374	3.7
165.09230	21.3
166.09572	1.5
185.06087	1.8
187.03926	3.4
191.05492	1.8
191.10796	2.4
200.23000	1.4
201.08710	1.4
207.13852	9.8
209.08200	100.0
209.11629	13.7
210.08513	6.9
227.03519	27.9
228.03627	1.9
229.04999	5.2
239.03389	1.9
242.02286	2.0
247.74886	1.4
255.02986	46.8
256.03546	6.8
257.04419	5.2
269.13934	43.0
270.14215	3.8
284.03268	38.7
285.04022	68.6
286.04263	5.8
371.13626	7.8
431.09799	44.9
431.18591	2.8
431.23111	3.3
432.10486	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	430.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08398	0.2
57.38004	0.2
59.01376	3.9
61.98832	100.0
71.01385	0.8
71.72111	0.3
83.01422	0.2
85.02975	0.7
87.00880	0.3
89.02488	0.6
93.03493	0.3
98.21964	0.2
101.02464	0.5
113.02481	0.4
119.03565	0.2
120.23825	0.2
125.02487	0.4
131.68626	0.2
143.03702	0.2
151.04074	0.2
161.18692	0.2
173.04582	0.3
191.05624	3.4
191.07141	0.3
205.08730	0.2
207.06789	0.3
213.09277	0.5
221.08186	2.4
222.08708	1.4
223.09323	0.2
235.09882	0.5
241.01450	0.4
257.08188	1.5
267.87820	0.2
270.01700	0.6
299.02173	0.3
420.64963	0.2
429.26440	2.2
430.26776	3.2
431.06479	0.6
431.13568	0.7
431.23492	0.4
443.38602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0985
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.47203	0.2
57.03444	0.2
59.01378	15.3
61.98822	0.6
63.02394	0.5
65.00334	0.5
66.04426	0.2
69.27814	0.2
69.56480	1.6
83.01401	0.6
85.02971	0.5
85.44881	0.2
89.02444	1.5
91.01900	0.4
93.03480	1.3
98.19909	0.4
99.04512	0.3
100.79552	0.2
101.02453	1.0
107.01401	2.0
109.02970	0.9
113.02470	0.8
115.30782	0.2
117.03484	0.6
119.03523	0.7
123.44725	0.2
125.02425	0.3
130.04204	0.2
132.02213	0.9
135.00899	1.5
137.02446	0.4
141.07106	0.2
143.05038	1.1
145.02960	0.3
145.06577	0.3
151.00381	1.2
153.01953	0.4
154.04329	0.5
155.05055	0.4
157.06607	0.5
158.03705	0.2
159.04550	1.1
161.04582	0.4
163.00391	2.4
164.01158	0.4
165.01883	0.3
165.12820	0.6
167.05035	0.7
169.06598	0.5
171.04523	0.9
172.05078	0.2
173.06149	0.3
174.03162	0.2
175.04143	0.2
178.99831	0.3
179.05605	0.5
182.03711	0.4
183.04565	1.4
185.02478	0.4
185.06160	2.5
187.04021	3.2
189.05566	0.8
190.99815	0.4
191.05600	0.4
195.04474	0.5
197.06091	0.9
199.03992	1.2
200.04700	0.3
201.05554	0.7
207.13870	1.2
209.11874	1.3
211.04015	3.3
212.04559	0.4
213.05539	1.8
214.02654	0.4
215.03574	0.4
224.04607	0.2
227.03499	47.2
228.03891	3.8
229.05051	10.0
230.05342	1.0
239.03513	1.9
240.04167	0.9
241.05075	1.5
243.03017	0.4
251.12939	0.6
255.02972	70.4
256.03500	10.3
257.04510	6.7
258.04871	0.6
267.02942	0.8
269.04443	0.3
269.13931	14.4
270.14282	1.0
283.02518	0.5
284.03253	57.6
285.04016	100.0
286.04361	10.1
311.14960	0.5
327.05109	0.4
371.20721	0.5
431.09821	59.0
432.10172	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	429.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01381	100.0
60.01717	1.0
60.11849	0.5
61.98834	0.8
68.48534	0.6
71.01398	0.7
71.70855	1.1
87.04536	0.7
91.04021	1.5
98.39523	0.6
111.04547	1.1
122.03725	0.5
124.01759	0.7
125.06165	0.7
125.09723	0.7
134.87947	0.5
137.09755	2.0
141.65048	0.5
151.00452	0.6
159.59358	0.6
161.22212	0.5
186.23840	0.5
195.13943	1.0
207.13962	0.6
208.07536	1.9
212.06958	1.2
220.07269	0.5
221.08206	4.3
222.08974	0.9
223.08609	0.6
232.28539	0.5
233.08354	1.0
277.21829	0.9
289.14536	0.8
295.22772	12.2
296.23309	1.5
351.26431	0.6
359.22327	1.5
361.18851	1.2
384.08905	0.5
385.27396	1.0
391.87943	0.6
398.28714	0.6
429.26529	27.4
430.27078	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	429.2648
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
57.03436	1.1
66.85392	0.4
68.99808	0.7
71.05035	0.8
71.49574	0.6
85.06619	1.7
87.04510	1.8
90.59812	0.5
97.34554	0.5
100.83579	0.4
111.04539	42.2
111.08201	0.9
112.04873	1.3
121.06667	0.6
123.04583	0.9
123.08210	0.9
151.04031	3.8
165.12862	0.6
177.01945	0.6
177.09196	0.7
179.03596	0.5
180.04340	2.2
191.14450	0.5
193.08736	1.5
193.12384	1.5
203.07176	1.5
207.06665	2.8
208.07437	2.7
209.08102	1.2
209.15468	1.9
219.06651	0.9
221.08197	48.8
222.08932	14.6
223.09354	1.2
231.13870	0.5
233.08203	7.2
235.09802	3.8
235.17059	1.7
247.09717	0.9
247.17058	0.7
263.16583	0.5
275.12958	1.2
289.14413	1.2
303.15991	0.7
305.17648	7.2
306.17960	0.6
341.21048	0.8
345.17102	1.3
359.18518	0.6
360.19485	1.1
385.27701	1.8
408.93198	0.5
429.26523	100.0
430.26831	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	429.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92946	0.3
58.34871	0.4
66.37524	0.3
69.94381	1.6
69.94807	0.6
90.97154	0.3
94.70136	0.3
98.19860	0.4
101.28582	0.4
104.52626	0.3
107.05040	0.6
109.03007	0.4
111.04529	5.8
121.06594	0.4
123.04531	2.7
123.08211	1.4
132.00572	0.3
151.04034	10.0
152.04433	0.7
156.03598	0.3
159.08191	0.4
163.04059	0.9
165.01978	0.4
165.05565	1.7
165.09195	0.6
166.02791	1.1
166.06053	0.3
177.02000	2.0
177.09213	0.9
179.03514	1.3
180.04294	3.3
189.09239	0.7
191.03481	0.7
191.10751	1.9
193.08720	3.1
203.07147	5.4
204.10251	0.3
205.08743	0.5
207.06604	1.0
208.07426	3.9
209.08104	1.0
215.07211	0.7
217.08743	0.8
219.06595	2.2
221.08206	87.3
222.08875	15.6
223.09290	1.0
233.08199	14.1
234.08733	1.3
235.09772	14.4
236.10107	1.2
247.09726	4.3
248.10097	0.7
249.11299	0.7
261.11139	0.5
275.13010	0.5
277.10837	0.8
287.12839	1.7
289.14383	1.5
303.15967	1.0
317.13947	0.8
317.17404	0.5
343.19174	1.1
344.45401	0.3
345.17093	1.3
359.18710	1.1
360.19354	3.2
361.19989	0.5
429.26471	100.0
430.26804	17.8
430.32785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.2
56.09771	0.2
57.03448	3.8
57.49841	0.1
58.32849	0.1
69.38901	1.8
79.01892	0.5
85.06601	0.4
87.04532	0.3
93.19544	0.2
95.56496	0.2
98.20599	0.3
107.05051	0.5
109.02979	0.3
111.04541	5.0
123.04568	0.9
123.08191	1.0
127.70404	0.2
137.02496	0.4
138.03217	0.4
139.04025	0.2
147.11780	0.2
149.02493	0.2
150.03185	0.2
151.04036	4.1
152.04605	0.2
163.03954	0.3
163.07741	0.3
163.51880	0.2
163.80658	0.2
165.01959	0.7
165.05629	0.3
165.09256	0.3
166.02792	1.3
166.06331	0.2
175.11298	0.2
177.01910	0.7
177.09245	0.6
179.03485	0.4
179.07156	0.4
180.04272	0.7
189.05637	0.2
189.12947	0.2
191.10855	0.5
193.05064	1.0
193.08690	1.2
193.12346	0.7
194.09145	0.2
203.07170	2.1
204.07486	0.2
205.08653	0.3
207.04631	0.3
207.06644	7.8
208.07419	10.9
209.08115	1.7
209.15489	0.5
215.10724	0.2
217.08606	0.2
219.06686	1.2
221.08200	50.0
222.08833	8.1
223.09308	0.2
231.13892	0.2
233.08202	7.4
233.11667	1.1
234.08813	1.5
235.09789	1.7
235.16953	0.3
236.10303	0.2
240.06508	0.2
245.08267	0.2
247.09712	0.9
249.07571	0.2
257.15500	0.6
259.09692	0.7
259.17050	1.4
260.10544	0.2
261.11285	0.3
273.22107	0.2
275.13116	0.2
285.14941	0.4
287.12811	0.4
289.14438	0.9
290.15335	0.4
299.12988	0.2
302.15088	0.4
303.16022	21.9
304.16373	2.2
315.23331	0.7
317.13977	2.6
317.17584	0.7
318.14465	0.2
322.14203	0.2
325.14642	0.2
327.16019	5.8
328.16330	0.7
333.33273	0.2
341.17429	0.8
342.18491	1.6
343.18781	0.4
345.17215	0.3
359.18573	0.6
360.19330	1.8
361.19809	0.3
365.78375	0.2
367.26398	0.2
385.27390	0.4
411.25430	0.7
429.26456	100.0
430.26801	17.2
435.74686	0.2
438.09564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
70.22829	0.2
79.01888	0.3
84.00399	0.2
85.06581	0.2
100.17775	0.2
111.04538	1.8
111.08194	0.4
122.93736	0.2
123.04583	0.5
123.08194	0.4
151.04036	1.8
152.77475	0.2
165.05634	0.3
177.09198	0.3
180.04335	0.5
191.10869	0.4
193.05080	0.6
193.08792	0.4
203.07153	0.6
204.48488	0.2
207.06615	1.6
208.07436	1.4
219.06656	0.3
221.08203	26.0
222.08859	3.7
229.42804	0.2
233.08127	1.9
234.08664	0.4
235.09761	5.2
242.67520	0.3
247.09613	0.5
261.14740	0.2
287.12872	0.4
289.14410	0.5
301.76508	0.3
303.16028	0.6
343.19092	0.3
352.20755	0.3
359.18625	0.5
360.19391	0.7
429.26468	100.0
430.26810	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	429.2647
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
72.30145	0.3
79.01905	0.3
104.21385	0.3
108.62366	0.3
111.04533	2.8
118.10458	0.3
123.04588	0.7
123.08179	0.7
151.04027	3.9
177.02000	0.6
177.09215	0.8
179.03644	0.4
179.07150	1.1
193.08713	1.0
203.07141	1.4
207.06650	4.1
208.07196	0.7
221.08189	76.7
222.08644	7.3
235.09724	0.5
248.06947	1.0
249.07599	0.3
254.08095	0.4
277.10867	0.4
278.11566	3.0
289.14502	0.5
291.12366	8.8
292.12762	0.9
316.20605	0.4
317.21011	0.3
359.18619	0.5
360.19412	8.6
361.19763	1.1
429.26440	100.0
430.26779	19.2
430.32745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2647
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
50.86516	0.2
62.90866	0.2
69.71404	0.9
69.71844	0.4
70.22359	0.1
72.13465	0.1
77.92791	0.2
79.01908	0.4
85.06609	0.2
92.37071	0.1
98.20737	0.2
107.05006	0.2
109.30547	0.1
111.04546	1.5
123.04549	0.6
143.76237	0.2
151.04021	3.0
165.02002	0.2
165.05573	0.4
166.02718	0.2
177.01958	0.5
177.09196	0.4
179.03529	0.6
180.04297	1.4
180.76561	0.2
181.04671	0.2
183.98175	0.1
184.29382	0.1
191.03528	0.2
191.10785	0.2
193.05020	0.2
193.08725	0.6
203.07170	1.6
207.06660	2.6
208.07378	1.1
209.08125	0.2
221.08205	34.4
222.08931	10.6
223.09270	0.4
233.08215	2.0
235.09760	1.9
247.09766	0.3
303.16113	0.2
317.14038	0.3
338.33243	0.2
343.19138	0.3
359.18658	0.4
360.19315	0.8
385.27512	0.4
396.81787	0.2
429.26465	100.0
430.26801	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	429.2647
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
57.03441	1.3
58.96741	0.4
62.47048	0.4
69.89028	2.7
69.89427	0.7
85.06605	2.4
86.06931	0.4
97.06611	3.4
109.06591	0.4
111.04530	7.8
111.08184	4.3
112.04920	0.5
123.04564	1.0
123.08183	1.4
139.07620	0.6
151.04051	2.9
163.04044	0.6
166.02727	2.0
177.01869	0.6
177.09245	0.7
179.03557	0.8
180.04367	1.0
191.03511	1.7
191.07039	0.7
191.10815	2.0
191.14400	0.7
192.04247	1.0
193.08717	2.6
203.07195	2.0
206.09503	1.6
207.06642	1.0
208.07408	13.4
209.07990	1.4
219.06625	10.1
219.10161	0.7
220.06944	1.0
221.08191	52.7
222.08835	6.5
233.08186	11.9
234.08974	11.8
235.09587	1.4
243.13913	0.5
245.15511	1.5
247.09828	3.4
259.09775	1.2
259.17230	0.6
261.11301	1.9
261.18628	0.8
266.07962	0.5
275.12970	1.0
289.14453	14.5
290.14880	2.5
302.15152	0.7
303.15988	9.1
304.16318	1.1
317.14005	1.3
317.17593	0.9
343.22864	1.3
345.17010	0.6
359.18558	0.9
360.19418	10.7
361.19934	2.0
375.07086	0.5
385.23196	0.8
385.27527	1.9
386.27924	0.6
429.26846	100.0
430.27136	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2647
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
57.03464	0.1
69.71005	0.7
69.71442	0.2
71.05025	0.1
79.01906	0.2
85.06612	0.1
87.04549	0.2
90.30365	0.1
93.86660	0.1
98.20605	0.1
107.05009	0.1
108.37807	0.1
109.02943	0.1
111.04536	1.2
117.65892	0.1
121.06620	0.2
123.04523	0.4
123.08171	0.5
137.02470	0.1
137.09799	0.2
138.03226	0.3
139.04028	0.2
142.35887	0.1
144.05756	0.1
150.03346	0.1
151.04024	1.8
163.04016	0.3
164.04785	0.3
165.01936	0.3
165.05637	0.1
165.09236	0.1
166.02744	1.0
167.07224	0.2
174.43146	0.1
175.11220	0.2
177.01959	0.4
177.09134	0.5
179.03531	0.4
180.04347	0.5
191.03508	1.1
191.07170	0.6
192.04272	0.3
193.05052	0.2
193.08736	0.7
203.07164	0.8
203.14221	0.1
204.04239	0.2
205.05061	0.1
205.08727	0.1
206.09529	1.1
207.06647	1.4
208.07410	7.9
209.08064	1.0
215.07150	0.1
216.67484	0.1
217.12309	0.1
217.66783	0.1
219.06641	6.8
219.10213	0.6
220.07079	0.3
221.08195	29.6
222.08820	2.4
233.08191	7.4
233.10580	0.2
233.11713	0.2
234.08965	7.4
235.09462	0.5
243.14003	0.2
245.15414	0.9
247.09749	2.8
257.15552	0.1
259.09680	0.6
259.17078	0.3
261.18594	0.4
266.07956	0.4
271.13425	0.1
273.11325	0.2
273.14880	0.1
275.12900	0.6
275.57510	0.1
287.12759	0.1
289.14456	9.4
290.15070	1.3
301.14380	0.3
302.15240	0.3
303.16019	6.0
304.16412	0.3
317.13928	0.9
317.17590	0.5
318.14664	0.2
327.16180	0.2
342.18262	0.2
345.16855	0.7
359.18564	0.6
360.19406	7.7
361.19785	0.8
385.27481	4.3
385.32523	0.2
386.27798	0.4
429.26450	100.0
430.26782	7.8
430.32825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08675	0.2
52.74708	0.3
55.22058	0.2
57.03442	0.5
63.83790	0.3
69.62514	1.0
69.62944	1.2
79.01904	0.5
85.06606	0.4
98.20571	0.6
111.04527	3.5
111.08183	0.5
123.04536	1.0
123.08156	0.4
134.61998	0.3
145.89304	0.3
151.04030	5.6
165.05620	0.9
166.02739	0.7
172.67300	0.3
177.01965	0.6
177.09233	0.6
179.03519	1.0
180.04272	2.8
191.10794	0.5
193.05020	0.3
193.08763	1.2
193.12325	0.3
194.09381	0.3
198.05327	0.3
203.07138	2.2
207.06657	5.5
208.07407	3.4
209.08090	0.6
209.15495	0.4
212.53638	0.3
219.06583	0.8
221.08199	77.3
222.08908	24.7
223.09338	1.7
233.08183	4.2
234.08922	0.5
235.09761	9.5
235.17039	0.6
236.10106	0.7
247.09753	0.7
247.17059	0.4
262.11963	0.3
275.57593	0.3
277.10916	0.4
289.14487	1.4
290.14731	0.4
303.15988	2.4
315.22958	0.3
317.14005	0.8
327.16010	0.5
343.19202	0.5
345.16968	0.6
359.18399	0.8
360.19443	1.6
361.19806	0.5
385.27475	0.9
429.26462	100.0
430.26791	17.7
430.32776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2648
Annotation	2-O-Methylneovibsanin H
Peak:m/z	Relative Intensity
55.01874	0.3
57.03450	1.2
59.01388	0.2
60.59110	0.2
69.03457	1.4
71.01398	0.3
71.05025	0.8
71.43399	0.3
79.05542	0.2
81.03461	0.5
83.05056	0.9
85.06604	2.4
87.04517	0.7
95.05021	0.2
97.06593	0.2
99.00893	0.2
99.04502	0.2
109.06657	0.3
111.04544	2.6
111.08157	0.4
113.06109	2.3
121.06618	1.6
123.04540	2.0
123.08157	0.4
123.86002	0.2
125.09734	5.2
126.10075	0.2
135.03612	0.2
135.04559	3.4
136.05310	2.1
137.06133	1.9
137.09743	11.7
138.10088	0.4
145.10783	0.2
149.06104	0.3
149.09711	0.6
151.07645	0.3
151.11278	0.5
153.09219	0.6
163.11363	0.2
163.26779	0.2
165.12871	0.7
169.08728	0.2
175.11348	0.2
181.12329	0.5
189.12894	1.0
191.10794	0.3
193.08627	0.4
193.12396	0.5
203.14415	0.4
205.12355	1.3
207.13908	6.8
208.14282	0.6
217.12354	0.7
221.08157	0.8
221.11848	1.2
221.15465	1.1
222.08820	0.5
235.16910	0.3
247.13316	0.4
257.15500	1.4
258.16034	0.2
259.17096	0.8
275.16534	3.6
276.16904	0.4
277.18097	1.0
303.15976	0.4
315.23096	0.9
317.20865	0.8
341.21112	0.3
343.19180	0.5
347.22476	0.3
359.22260	1.1
385.27588	0.8
386.27762	0.2
411.25327	0.4
429.26468	100.0
430.26822	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	429.2647
Annotation	2-O-Methylneovibsanin H
Peak:m/z	Relative Intensity
54.93708	0.2
57.03437	0.8
69.03448	1.0
69.67958	2.0
71.01379	0.3
71.05016	0.7
83.05032	0.6
85.06590	1.5
87.04513	0.9
96.88086	0.2
98.19963	0.5
99.08109	0.2
103.87540	0.2
109.06622	0.2
111.04520	2.5
111.08162	0.3
113.06092	1.8
121.06612	1.1
123.04539	1.0
123.08147	0.5
123.81342	0.2
125.09737	4.0
135.04550	2.7
136.05321	1.3
137.06075	1.0
137.09741	7.0
137.99129	0.2
138.10114	0.3
148.80003	0.3
149.06059	0.6
149.09770	0.4
151.04024	1.3
151.07640	0.4
151.11298	0.6
153.09227	0.3
165.12851	0.4
177.01956	0.3
180.04233	0.6
189.12820	0.4
191.10672	0.4
193.08688	0.7
193.12288	0.4
195.13924	0.4
203.07071	0.6
205.12314	0.3
207.06660	1.1
207.10318	0.2
207.13881	4.8
208.14232	0.4
217.12338	0.3
219.06516	0.2
221.08182	15.5
221.11765	0.7
221.15471	0.7
222.08907	5.3
233.08154	1.0
235.09846	1.1
235.16908	0.4
257.15479	1.6
258.15753	0.4
259.16980	0.9
275.16461	2.1
277.18076	1.0
297.22003	0.3
303.15973	0.6
315.23300	0.5
317.21216	0.3
343.19095	0.4
344.19324	0.3
359.22302	0.9
385.27344	0.4
411.25467	0.8
429.26440	100.0
430.26788	19.1
435.27805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72523	0.6
55.01883	0.9
55.45109	0.5
57.03447	7.2
59.01396	3.1
61.86071	0.5
69.03456	1.6
71.05021	0.8
71.27739	1.2
79.05543	1.0
81.03444	0.5
85.02901	0.6
85.06599	13.5
87.04536	2.4
95.05054	1.0
97.06604	23.2
98.06929	0.7
103.22593	0.6
109.06617	2.7
111.04542	36.0
111.08175	23.8
112.04845	1.0
113.06088	1.4
120.05823	0.8
121.06598	4.1
121.10236	0.7
121.82256	0.7
123.04533	4.3
123.08186	2.5
125.06095	0.6
125.09751	3.5
135.04524	1.2
137.02493	0.8
137.09746	10.8
139.07692	4.8
147.08115	0.9
147.92929	0.7
149.06088	1.1
149.09715	2.0
151.04034	2.3
151.07645	1.0
153.09213	1.2
165.05608	1.1
165.09190	0.8
166.02798	0.7
175.07637	1.9
177.09166	1.4
179.37881	0.7
187.11293	0.9
188.26357	0.6
189.09230	1.2
189.12840	0.9
191.10799	9.1
191.14491	3.7
192.11122	0.7
193.08699	11.2
193.12303	1.8
194.09073	0.7
203.07204	0.9
203.10860	0.8
203.14427	2.4
205.12421	1.1
207.06596	1.1
207.10233	1.3
207.13887	6.5
208.07404	2.7
217.12311	1.6
219.06659	1.8
221.08200	26.2
221.11784	1.9
221.15422	1.2
222.08955	7.2
231.06612	0.7
231.10152	0.7
233.08110	4.5
234.08928	1.3
235.09708	2.5
245.95477	0.7
247.09828	0.9
249.11398	0.7
255.13774	1.4
255.17787	0.6
256.14471	1.0
257.15500	5.4
258.15652	0.7
259.17053	1.0
261.15317	0.9
261.18549	5.6
273.18604	3.5
275.16364	1.4
287.16412	0.8
289.14359	2.0
303.15900	1.6
305.17480	2.2
315.19769	1.0
317.17603	1.9
317.21103	1.3
327.19608	4.0
328.20068	0.8
343.15625	3.7
343.22739	9.4
344.23126	2.0
359.18402	1.1
359.22311	1.8
360.19275	1.6
369.20731	0.8
371.18863	0.6
385.23764	5.1
385.27811	0.8
411.25485	1.4
429.22473	87.2
429.26608	100.0
430.22906	16.1
430.27014	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	429.2648
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
57.03437	0.5
59.01368	0.4
61.98825	0.6
64.32761	0.2
67.36194	0.2
69.60233	2.0
71.04994	0.3
74.34609	0.2
79.01881	0.2
79.05531	0.5
81.03448	0.3
83.05078	0.4
85.06598	1.8
87.04538	0.7
89.83367	0.2
103.75826	0.2
111.04530	2.9
111.08171	0.4
113.06071	1.1
113.77118	0.2
117.75430	0.2
121.06612	1.0
122.03770	0.6
123.04531	2.0
123.08134	0.4
125.09752	2.9
135.08191	0.3
137.09741	9.4
138.10052	0.3
149.09717	0.4
151.04051	2.3
151.11336	0.3
163.11310	0.8
166.02737	0.3
177.01799	0.3
177.09183	0.4
179.03554	0.5
180.04356	1.4
181.12303	0.4
189.12874	0.4
191.10710	0.3
193.08694	0.8
193.12434	0.4
194.09238	0.2
203.07149	0.7
205.08760	0.3
207.06656	2.0
207.13902	8.3
208.07385	1.4
208.14104	0.5
217.12314	2.0
219.06660	0.6
221.08205	25.0
221.15524	0.7
222.08896	6.7
223.09308	0.3
233.08200	1.9
234.08990	0.5
235.09769	2.3
235.17043	1.0
247.09761	0.4
257.19064	0.6
259.16904	0.3
275.16522	4.3
289.14597	0.9
301.14423	0.2
303.16092	1.0
315.23392	0.5
317.13962	0.5
341.20947	0.2
343.19183	0.4
345.17004	0.3
359.22427	1.0
360.19412	1.0
361.19662	0.3
385.27551	1.5
429.26474	100.0
430.26825	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	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40526	0.2
55.01865	0.2
57.03453	0.4
58.00600	0.3
59.01381	100.0
60.01711	1.4
61.98832	1.0
69.03481	0.3
71.01389	7.4
71.09808	0.5
71.10138	0.3
72.99313	0.3
73.02963	0.3
78.02284	0.2
85.02962	1.1
87.00894	0.5
89.02455	8.9
95.01405	0.3
101.02456	3.4
102.89864	0.2
107.08686	1.0
109.02979	0.6
111.04514	0.5
113.02481	2.5
119.02720	0.4
119.03518	3.0
123.04552	0.4
131.03491	0.5
135.00716	0.2
137.02530	0.2
143.03520	0.7
149.04588	0.3
151.00339	0.3
151.04012	0.5
153.01955	0.9
161.04546	0.9
161.13385	0.8
179.05655	2.2
180.04205	0.3
203.07147	0.4
205.12337	1.6
207.06609	0.5
207.10397	0.2
208.07385	0.3
221.08199	4.9
222.08914	1.4
223.13390	1.0
227.07104	0.3
233.08272	0.4
235.09703	0.8
267.12357	7.1
268.12668	0.5
303.15903	0.4
309.13391	0.3
429.21252	1.4
429.26437	6.9
430.26685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2444
Annotation	Yuzurimine E
Peak:m/z	Relative Intensity
55.01893	0.5
58.02979	2.1
59.01381	23.6
61.98832	2.1
71.29095	0.7
74.64906	0.3
77.30762	0.3
78.33992	0.4
83.05044	0.8
87.04553	0.4
91.04033	0.4
93.03463	0.6
95.05032	1.4
97.06599	0.9
105.07132	0.4
109.02982	1.6
111.04538	1.3
113.25284	0.3
119.08696	1.2
121.06580	0.5
123.04584	0.4
133.03004	0.4
133.06596	0.6
134.03758	0.9
135.04562	0.4
135.08151	1.2
137.02463	51.3
137.09761	1.6
138.02824	2.1
148.05301	0.5
149.02460	1.0
149.06088	3.3
150.03291	0.4
151.04021	0.5
151.80789	0.3
156.71384	0.3
157.06580	0.5
158.07179	0.3
165.00537	0.5
165.01939	9.7
173.09732	4.4
175.04057	1.0
175.11311	2.2
177.01941	2.8
177.05469	0.4
178.12389	9.0
179.12665	0.3
180.04303	2.0
180.10300	1.4
182.08250	0.9
189.09219	1.4
189.10852	0.3
190.12402	0.4
205.12361	5.4
206.12651	0.8
207.06790	0.4
208.03773	1.3
208.59082	0.3
210.11324	2.5
220.09859	0.5
221.08154	1.2
222.11333	0.6
233.08183	0.7
248.12897	1.6
252.12392	2.8
252.69069	0.3
253.15970	5.2
255.13846	0.8
258.12540	1.7
275.16394	0.5
276.12402	1.4
277.09540	4.9
277.21530	0.5
285.14984	0.6
289.14368	0.4
295.17215	0.8
295.22870	2.0
297.14978	7.4
298.15283	1.2
309.12210	0.5
312.23233	2.2
354.24387	1.8
373.24060	0.4
384.26022	0.4
396.21753	0.8
398.18954	3.9
398.24353	3.1
399.24075	0.4
428.24429	100.0
429.25079	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	427.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51999	0.4
54.43170	0.4
55.18817	0.4
57.03453	5.1
58.51661	0.4
59.01381	2.7
61.98839	2.3
71.01383	1.0
73.45432	0.5
83.01394	0.4
85.02959	1.2
87.00878	0.9
87.04513	0.6
95.01389	1.1
97.02973	0.8
100.22887	0.5
101.03996	1.3
110.36539	0.5
111.04561	1.6
119.05045	38.1
120.05389	2.1
121.02982	2.1
123.00897	0.7
123.08160	0.7
131.05026	2.1
135.04573	0.7
137.02536	0.6
143.05046	5.5
145.02974	33.0
145.06612	4.0
146.03343	1.9
147.04558	0.7
147.08220	0.6
157.06599	0.7
161.06114	1.5
169.06625	1.1
171.04547	5.6
171.08160	1.2
173.06161	2.3
174.03267	0.6
180.05940	0.6
185.06090	1.3
186.03232	0.7
187.07564	0.8
189.05591	27.9
189.12914	0.7
190.02727	1.4
190.05917	1.9
192.07977	0.6
193.05051	0.7
193.12375	1.0
197.06059	2.2
199.03970	2.2
199.07610	0.7
200.04790	2.5
209.09666	0.7
211.04062	0.8
212.04800	1.6
215.03526	9.4
216.03708	0.8
217.12401	1.1
219.06577	0.8
220.07227	1.1
222.06775	0.5
225.05556	3.6
225.12950	0.5
226.06122	0.6
227.03534	2.1
227.07095	0.5
228.04306	5.6
229.05058	1.8
229.47252	0.7
232.03772	4.5
237.15021	0.7
239.07076	0.7
240.07784	1.0
241.05058	2.5
243.02922	2.5
261.94659	0.5
263.12927	1.8
275.10751	0.9
275.18030	1.0
276.11606	0.8
277.12241	1.3
283.02493	1.0
286.04733	0.7
287.12875	1.2
289.10660	2.3
295.17242	0.8
313.18201	0.6
319.17133	0.9
323.16443	0.5
337.18036	1.1
339.16107	0.8
347.16568	3.9
349.14307	0.8
355.15350	0.7
365.17627	15.1
366.17981	2.5
367.15527	100.0
368.15884	13.4
381.16898	0.6
383.14703	0.8
384.15811	0.6
409.11438	0.9
409.16611	13.6
409.22064	0.8
410.17212	6.1
427.13013	3.1
427.24866	11.7
428.25214	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	427.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77142	0.3
55.01861	0.7
57.03452	1.9
59.01373	1.0
68.99847	0.3
69.76918	2.4
71.01369	0.3
79.05528	0.5
83.05022	0.5
85.06598	0.8
87.04531	2.2
94.04248	0.4
95.05038	1.6
98.20676	0.4
100.28028	0.3
105.07085	0.3
109.02956	0.5
111.04531	7.3
111.08169	0.6
119.08703	0.5
120.05824	1.4
121.06576	0.7
123.08188	0.7
135.08183	13.9
136.08543	0.7
137.09740	9.5
139.11319	1.1
142.01862	0.3
147.08159	0.7
149.02435	0.3
149.06059	0.4
149.09705	0.9
150.03203	0.5
151.11246	0.8
162.06862	0.9
163.07687	0.5
163.11319	1.1
165.09157	0.5
172.09132	0.3
173.09743	0.3
175.07692	0.9
175.11371	0.6
177.01921	0.8
178.02623	0.4
181.08821	0.5
187.11290	3.1
189.09206	0.6
189.12883	0.9
190.10072	0.8
191.07106	0.9
191.10727	1.1
192.07983	0.4
193.12384	0.6
203.07072	0.4
204.07779	0.3
205.05020	0.8
205.12358	12.4
205.14282	0.6
206.12686	0.6
207.13910	1.2
215.10791	0.4
217.08730	1.3
219.06610	1.5
220.07404	0.7
221.08255	0.5
221.11795	2.7
227.14497	0.3
233.08179	1.2
233.11714	0.7
233.15424	0.4
243.17409	0.6
252.06293	0.8
259.09937	0.4
261.14948	0.4
273.11288	0.8
274.11719	0.3
287.12842	0.6
288.13657	0.4
289.21759	1.3
297.18497	0.6
303.15967	0.5
305.17487	0.4
313.21634	0.7
315.19632	0.7
331.19351	0.5
339.19739	0.4
341.17670	1.9
343.15570	0.6
356.19971	0.7
357.20682	1.9
358.17654	0.4
359.18573	0.4
383.26071	1.8
399.75867	0.3
410.81253	0.3
418.14957	0.4
427.24896	100.0
428.25229	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	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14442	0.1
55.01884	0.5
57.03442	0.2
59.01382	1.2
61.98832	5.1
62.81092	0.2
65.00330	0.3
69.03461	0.2
69.85374	0.2
70.46793	0.7
71.01380	0.3
71.05026	8.2
73.02921	0.2
77.03985	0.5
79.01911	0.8
81.03465	0.6
83.01389	0.5
85.02973	0.4
91.05577	0.2
93.03457	0.3
95.05042	2.5
97.02963	8.0
101.02461	0.2
101.06116	0.3
107.05017	0.2
109.06602	0.3
111.04532	0.9
113.02448	0.3
113.06119	0.7
114.38326	0.2
119.05051	0.6
121.02980	1.1
123.04544	0.2
125.02489	0.4
125.06097	3.2
126.06461	0.2
135.04547	1.1
137.02455	0.3
137.06093	0.5
138.03229	0.6
139.04031	100.0
140.04367	4.9
140.48538	0.2
141.09230	0.4
148.01724	0.4
149.06116	0.3
151.04028	0.5
153.05602	2.2
161.04585	0.2
163.04027	13.4
164.04366	0.6
165.01947	1.6
165.05528	0.2
177.02014	0.2
177.05597	0.2
181.05080	9.2
182.05429	0.6
183.03006	0.2
187.04076	0.5
189.01874	0.3
193.05096	1.2
196.60378	0.1
205.05016	0.4
211.06129	0.9
220.07240	0.2
221.11859	0.3
223.09770	0.4
247.09726	1.4
265.10803	11.3
266.11169	1.1
283.08234	0.2
289.10803	4.0
290.11234	0.4
301.09280	3.1
302.09726	0.2
307.11856	2.5
308.12170	0.3
319.11920	0.2
337.12823	0.2
357.41776	0.2
373.70587	0.2
409.15073	0.3
427.16092	13.7
427.24417	1.0
428.16479	2.4
428.25241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42575	0.6
57.03449	5.3
59.01384	3.7
61.98835	3.9
69.30596	0.6
70.82783	1.6
71.01388	1.3
74.19475	0.6
85.02974	1.3
87.00887	1.6
95.01418	0.9
97.03011	0.9
101.04001	0.9
101.96555	0.6
107.83658	0.5
111.04510	0.8
119.05046	34.6
120.05369	1.4
121.02950	3.3
123.00896	1.4
130.04272	0.7
131.05026	1.4
135.90428	0.6
143.05045	4.6
145.02971	33.9
145.06601	3.5
146.03334	1.3
147.04509	0.7
149.09715	0.7
151.00409	0.8
157.06694	1.5
158.03790	0.6
161.06108	1.9
165.01997	0.7
169.06586	0.8
171.04608	4.1
171.08182	1.3
172.05066	0.7
173.06078	1.8
183.06566	0.7
185.06169	1.0
189.05589	27.1
189.12939	1.2
190.05832	1.0
192.98901	0.6
197.06056	2.1
199.04060	2.5
200.04828	3.0
211.04001	0.7
212.04816	1.2
213.05530	0.7
215.03529	7.8
217.12288	1.5
225.05627	3.1
226.06299	1.0
227.03528	2.4
228.04301	4.8
229.04901	1.0
232.03761	5.4
240.07823	1.0
241.05028	2.6
243.02985	2.7
258.01773	1.9
263.12881	1.8
271.02524	3.2
272.03113	1.2
273.04160	0.8
275.10767	0.7
275.18066	0.8
277.12238	0.8
283.02554	1.4
285.04068	1.0
286.04916	2.1
289.10831	1.4
319.16995	0.7
323.16763	0.6
325.07489	0.6
337.18069	1.7
339.15930	0.9
347.16461	4.9
351.08795	1.5
357.09760	1.4
365.17584	13.6
366.17984	1.8
367.15521	100.0
368.11783	0.4
368.15866	13.1
383.18777	1.3
409.16620	15.0
410.17236	5.9
427.13528	6.3
427.25116	3.1
428.14261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13820	0.2
52.67049	0.2
57.37524	0.2
59.01384	0.7
61.98814	0.6
70.28356	0.9
70.28780	0.5
71.51811	0.3
75.01852	0.2
100.48696	0.3
111.04549	0.4
140.39082	0.3
155.05051	0.4
174.03206	0.3
175.00323	0.4
183.04527	1.3
185.02385	0.3
187.04010	0.4
191.07108	0.3
193.01515	0.2
193.05063	0.3
199.03957	0.3
211.04027	1.7
214.02582	0.3
215.03564	1.3
219.27553	0.3
227.03523	2.2
229.01399	0.4
229.04996	0.9
230.02156	0.9
239.03497	8.5
240.03841	0.9
241.01491	1.8
242.02066	0.6
243.03009	1.6
244.03636	0.9
255.02979	2.6
255.06708	0.3
256.03711	0.3
258.01688	4.0
269.04315	0.3
271.02530	1.1
272.03250	1.4
282.01907	1.2
282.04749	0.3
283.02481	100.0
284.02835	10.1
284.05954	0.5
297.04001	0.8
297.07715	1.0
298.01169	0.8
298.04575	0.5
299.01929	0.5
299.05646	0.7
309.04086	0.8
313.07172	7.0
314.07504	0.9
323.05560	0.7
325.03540	4.1
325.07230	0.5
326.04266	1.8
340.06104	0.7
341.06686	47.6
342.06998	5.1
358.06989	1.7
359.07056	0.3
395.11331	0.8
427.13208	1.3
427.25037	1.2
428.25549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82564	0.4
52.83000	0.3
57.03449	1.9
58.32674	0.3
59.01377	7.7
59.97462	0.3
61.98832	100.0
63.02409	0.6
65.00320	0.9
69.49346	0.8
69.49760	3.0
71.01385	1.5
78.95930	1.0
83.01406	1.6
83.05048	1.5
85.02949	0.8
87.00894	0.5
89.02460	1.3
93.03486	0.4
101.02466	0.9
101.34081	0.4
107.01412	1.7
109.02951	0.9
109.06587	0.6
111.04578	0.6
121.03010	1.9
123.04549	0.8
125.02499	0.8
133.03073	0.5
135.08156	0.4
136.01695	1.2
137.02460	0.9
137.09802	1.0
147.00925	1.2
149.02432	0.5
151.00395	10.2
151.01558	0.7
151.04062	0.7
152.00769	0.3
153.41481	0.4
160.54063	0.4
161.09785	0.7
167.03481	0.8
169.01468	0.6
177.12935	2.2
178.99876	6.8
179.10811	1.8
183.04448	0.4
193.08670	0.4
194.09160	0.5
196.06578	0.3
197.11911	0.7
199.04123	1.2
201.02026	0.6
203.03572	0.6
203.10768	0.4
208.07350	2.2
219.06708	0.6
221.04492	3.4
221.11850	3.7
222.04878	3.5
223.09723	2.1
227.03526	1.5
231.03046	0.7
243.03075	1.6
247.09781	0.9
247.13460	0.7
250.08151	0.6
255.02963	0.8
265.10785	22.6
271.02469	14.2
272.03131	2.4
299.01978	5.8
300.02734	10.1
300.05972	0.7
301.03397	2.6
331.04593	30.5
332.04999	3.6
336.16403	0.4
338.16861	0.3
363.07291	2.1
391.19849	0.9
426.11346	1.4
426.17865	0.6
427.15298	0.7
427.19955	1.0
427.24780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	1.1
59.01377	7.4
60.99305	9.5
61.98824	6.9
67.43803	0.6
70.20905	1.4
70.21303	1.5
71.01379	3.2
73.02955	1.0
74.02475	0.7
75.00859	1.8
77.66187	0.6
84.01039	0.6
85.02958	5.6
87.00879	2.1
88.98815	61.4
89.02460	1.5
89.99177	0.9
90.85577	0.6
93.03475	2.4
95.01376	0.7
96.96020	2.5
99.00895	0.8
99.04534	1.1
101.02435	1.6
111.04522	1.8
113.02436	2.0
119.05045	0.8
121.02934	0.8
123.04534	0.7
125.02462	1.0
127.04030	1.3
135.04523	1.6
145.02905	0.7
148.90982	0.9
151.03976	0.9
155.07179	0.7
161.04604	0.7
163.04033	1.8
164.07130	1.2
173.04529	2.2
179.03528	0.7
188.07210	2.9
191.05620	100.0
192.06021	4.4
193.05144	0.7
195.06599	2.2
205.12465	0.7
206.08110	3.3
219.06638	1.2
220.07382	1.0
247.06163	0.7
247.09853	0.6
249.13474	0.8
265.07376	1.0
265.10892	0.9
280.95160	1.4
283.11600	0.7
283.64313	0.7
337.09283	23.7
338.09561	2.1
365.18463	0.9
381.17633	1.4
409.14392	0.7
427.15427	2.5
427.19910	1.9
427.24500	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	425.2702
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
60.51097	0.3
71.08893	0.3
71.71838	0.6
72.30801	0.3
74.98267	0.3
77.34036	0.4
107.05035	0.9
111.04534	0.3
115.74886	0.3
122.03735	0.4
123.04541	3.4
125.06100	7.2
135.16235	0.3
150.03218	0.6
151.04028	12.7
152.04674	0.4
166.02747	1.1
173.09665	0.4
177.01926	2.2
178.02652	0.7
179.03490	0.6
180.04283	0.8
189.09209	0.6
191.10764	1.7
205.05020	0.8
206.09547	0.4
207.06584	0.5
207.10300	3.3
217.08705	6.3
219.06630	2.0
220.07365	0.4
221.08249	1.8
222.08885	2.2
233.08186	0.5
234.08986	0.5
235.09755	100.0
236.10184	9.2
247.09738	2.9
257.11841	0.4
261.08920	0.4
261.11209	2.1
287.12894	1.7
288.13367	0.7
297.18417	0.3
303.16138	0.8
304.16458	0.4
336.90942	0.3
341.17593	3.2
345.20752	0.4
355.18903	0.8
356.19818	1.0
381.28030	1.9
404.66873	0.3
425.26971	88.6
426.27304	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2183
Annotation	Junceellolide G
Peak:m/z	Relative Intensity
57.03451	7.2
59.01381	28.2
61.98838	2.8
68.82645	0.5
68.99835	0.4
70.28320	2.0
71.05022	2.6
73.02957	0.6
79.48610	0.4
83.01408	0.6
83.05051	0.8
85.02960	32.8
85.06594	0.5
86.03294	1.1
86.96889	0.5
87.00874	2.2
93.03465	0.8
95.05023	1.1
99.08174	6.0
101.06092	2.0
107.05068	0.8
109.02960	0.9
109.04681	0.5
109.06635	1.1
111.00906	0.6
111.04536	1.3
122.03751	0.5
123.00872	0.5
123.04546	1.6
123.08162	1.2
125.02441	0.7
125.05200	1.0
125.06100	14.7
125.09695	1.1
126.06436	0.7
127.07672	5.2
133.06572	0.9
135.04582	0.6
137.02484	0.7
137.06143	0.6
137.09735	0.6
151.04002	0.4
151.07674	1.5
151.11320	1.1
153.09213	1.2
155.24150	0.5
159.08180	0.6
161.09758	1.2
165.09151	1.0
165.51662	0.5
169.08720	34.8
170.09053	1.3
177.09224	3.7
179.03516	1.2
179.10774	1.7
193.05188	0.7
193.08691	0.7
195.06660	4.2
195.10243	1.1
197.08148	0.7
198.08527	0.9
203.10736	0.9
204.11649	0.5
205.08644	1.0
207.06694	0.7
207.10207	0.5
208.07423	2.1
209.08189	1.5
211.13351	0.7
212.06903	0.8
217.12288	1.4
221.08084	0.9
221.11856	0.8
229.12349	2.7
247.13290	1.5
255.16061	0.7
261.14935	1.0
263.12878	0.8
274.98199	0.5
281.13940	3.3
287.16476	1.5
303.19659	2.6
304.20053	0.5
305.14072	1.7
306.14523	0.6
307.11978	1.2
319.51639	0.5
321.20673	1.0
323.14951	1.7
337.19327	1.3
345.20709	5.2
346.21216	0.5
347.18604	3.0
348.18961	0.8
363.21783	11.8
364.22421	1.1
365.19708	100.0
366.20035	12.5
381.22849	2.1
407.20749	8.9
408.21286	2.5
425.12344	1.4
425.21832	10.4
425.27545	1.3
426.22083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21276	0.7
53.53849	0.7
57.03458	0.7
61.98833	100.0
69.77702	1.5
69.78107	3.6
94.41928	0.6
97.26621	0.6
98.19903	0.7
111.04588	0.9
111.95331	0.7
123.08170	3.3
149.09729	1.4
209.08237	1.3
212.41660	0.8
254.22989	0.6
278.38641	0.8
361.20218	24.7
361.24649	1.3
362.20529	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	424.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33326	0.2
61.98832	100.0
62.98542	0.2
68.92418	0.2
71.72611	0.2
103.11880	0.2
111.04540	0.4
114.86766	0.1
121.06665	0.2
137.82994	0.2
147.87323	0.2
149.45166	0.1
151.04094	0.2
153.52074	0.2
165.05635	0.4
191.10817	0.2
212.45880	0.2
217.08665	0.2
221.08301	0.4
230.14597	0.2
235.09723	2.2
337.21680	0.5
361.20190	7.0
362.20566	1.0
424.25009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.3
53.10871	0.3
57.03447	0.4
59.01380	2.5
61.98833	100.0
66.44985	0.3
69.50259	2.5
71.01398	0.9
73.02954	0.4
75.00897	0.7
78.95908	0.8
83.05004	0.4
85.02971	0.8
89.02441	0.3
93.03490	0.3
97.03001	0.3
101.02477	0.7
111.04582	0.6
113.02472	0.6
121.84957	0.3
122.03723	0.3
123.00922	0.6
123.04547	0.4
124.01743	0.4
125.02484	0.4
125.06145	0.5
137.09723	1.5
139.07684	0.8
151.07721	1.9
152.08521	0.8
155.10803	6.9
156.11166	0.4
183.06688	0.6
191.05685	0.7
199.09775	19.8
200.10109	1.4
201.12910	0.8
204.11707	0.6
209.08266	0.9
210.08568	0.4
219.13908	1.4
221.08315	0.5
223.09790	0.7
245.11890	0.6
263.12839	2.7
287.12878	0.5
361.14993	2.2
362.15521	0.3
424.20609	2.1
425.21893	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	424.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54413	0.5
52.40251	0.4
59.01381	1.7
61.98833	100.0
68.95144	0.5
70.26460	0.4
77.48952	0.4
85.02971	0.9
87.00916	0.7
94.44221	0.4
98.10030	0.4
98.20722	0.9
101.06094	0.4
125.06087	1.1
177.35381	0.4
209.08192	0.6
210.08594	0.5
235.09933	0.6
294.19806	0.4
361.20224	10.5
362.20688	1.2
364.18335	0.5
406.19421	0.5
424.15891	0.5
424.20581	1.6
424.25134	0.8
425.27170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70332	0.2
55.21192	0.2
59.01377	3.1
61.98832	100.0
62.98546	0.2
69.85841	1.3
71.01392	0.7
73.02969	0.3
78.67567	0.2
83.01418	0.5
85.02969	0.3
85.50864	0.2
87.00919	0.2
88.98846	0.3
89.02467	0.3
94.98109	0.5
95.01363	0.2
98.19875	0.4
101.02476	0.7
109.02281	0.2
109.02982	0.8
113.02498	0.5
121.02930	0.2
123.04561	0.6
125.02489	1.2
128.03551	0.3
133.02972	0.4
137.02504	0.9
149.02396	0.3
151.00446	0.2
151.04039	1.2
161.04564	0.2
175.04065	1.5
176.04314	0.2
177.02010	0.8
187.04080	0.5
191.05708	0.5
199.04124	0.3
200.04362	0.3
201.11308	0.3
202.11653	0.3
211.04054	0.2
217.05020	0.4
218.05415	0.4
229.05165	0.4
231.02968	0.3
243.03027	0.9
244.03259	1.1
255.03107	0.7
256.03854	0.4
261.03964	0.9
262.04373	1.4
262.13846	0.4
263.04694	0.3
273.04147	0.3
275.02045	0.9
281.04611	0.3
308.07642	0.2
339.08823	0.6
365.18387	1.4
407.07703	3.6
424.09732	2.0
425.09250	0.7
425.18790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2025
Annotation	Scutalbin C
Peak:m/z	Relative Intensity
53.30466	0.9
55.01877	1.1
57.03439	3.7
59.01378	7.7
61.27530	0.6
61.98814	0.9
65.74313	0.6
67.79025	0.7
68.99823	4.7
69.03462	2.2
69.78478	5.2
71.01367	0.8
71.05019	2.2
81.03463	2.2
83.01392	0.9
83.05025	3.1
85.02957	18.6
85.03446	1.4
87.00886	6.5
95.01376	0.8
95.05038	1.9
97.02966	2.8
98.20586	1.5
99.04523	0.8
99.08157	4.1
101.06084	3.3
109.02941	1.5
109.06609	10.0
111.00907	0.8
111.04515	1.7
113.02445	4.6
123.00946	0.9
123.04497	1.0
123.08147	1.3
125.02480	5.6
125.06099	56.3
125.09736	3.1
126.06409	1.6
127.07675	17.9
135.08176	1.1
137.06099	2.3
137.09724	2.3
139.04024	1.9
141.01973	4.4
141.09247	1.0
149.06096	0.7
151.04050	0.9
151.07732	0.8
152.04770	0.7
153.01942	0.9
153.05551	1.4
153.09274	0.9
163.11328	1.1
164.04773	1.0
165.09235	3.0
167.03551	1.7
169.08723	5.4
177.09241	1.4
179.07051	1.0
181.05063	2.2
181.08696	1.4
183.06644	2.9
191.07170	1.7
193.08807	1.7
195.05289	0.7
195.06693	7.4
195.10272	1.1
197.08200	100.0
198.08534	6.1
205.08665	1.7
207.06668	1.9
207.10321	3.6
208.07359	1.3
209.08203	39.0
210.08551	2.5
219.10271	0.9
221.08235	1.4
221.11867	3.8
222.08961	1.0
223.09787	11.9
224.10550	1.6
225.07681	8.5
225.11232	4.2
228.06398	2.8
235.09843	3.4
236.10257	0.9
237.07657	1.0
251.09215	3.1
251.12808	1.2
252.09979	1.2
253.10760	1.9
261.11212	0.7
265.10785	6.9
266.11417	1.6
273.18433	0.8
279.12454	1.5
293.10342	1.6
293.13541	0.8
303.15744	1.1
305.14270	0.8
311.25693	0.7
319.15427	0.8
321.13464	0.9
321.17062	1.0
335.18637	49.3
336.18970	6.9
345.16949	1.2
346.93005	0.9
349.16531	11.2
350.16806	1.5
361.20145	4.2
363.18137	18.8
363.22672	1.1
364.18420	2.9
387.17892	0.7
389.19690	2.9
391.17511	1.7
405.19144	23.3
406.19733	6.1
423.20184	46.1
424.20435	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2028
Annotation	Scutalbin C
Peak:m/z	Relative Intensity
51.23715	0.8
52.47468	0.8
57.03450	5.5
59.01134	0.8
59.01382	12.8
61.98832	10.3
68.99823	6.8
69.98726	5.5
71.01388	1.7
71.05017	1.8
71.30235	0.9
73.02985	0.9
75.00864	1.4
78.95895	1.5
81.03461	0.8
83.01393	1.5
83.05034	2.4
85.02946	3.7
87.00879	1.7
89.02446	0.9
93.03476	0.9
94.66273	0.7
95.01408	1.5
95.05019	2.3
97.02970	1.4
97.06634	0.8
98.19899	1.6
99.04502	0.9
99.08167	5.7
101.02474	1.3
101.06102	2.9
109.02960	2.9
109.06569	1.8
109.57368	0.8
111.00858	1.4
111.04539	2.4
115.00314	0.8
121.02927	1.6
123.00893	0.9
123.04541	2.1
123.08131	0.8
124.01609	1.3
125.02468	8.5
125.06093	18.3
125.09818	0.8
127.07674	30.9
128.07991	1.4
135.04559	1.3
137.02478	8.8
137.06079	2.0
137.09695	1.6
138.03262	1.6
139.04037	3.0
145.03021	1.1
146.03706	1.0
149.09749	1.3
150.03191	0.9
151.00392	2.1
151.04039	1.9
153.05579	1.1
153.09187	1.7
163.04007	1.4
163.07579	0.9
164.01196	1.7
164.04779	1.2
165.01950	4.3
165.05553	1.4
165.12833	1.4
166.02654	0.9
167.03453	5.0
167.10823	1.6
168.04312	1.2
169.08699	3.6
173.06104	1.5
174.03256	1.1
175.07660	1.5
177.02026	1.1
177.09248	1.9
179.03522	2.1
180.04276	1.3
180.07898	1.1
181.05025	2.6
181.08757	1.8
183.06598	2.4
183.13889	5.7
191.05653	1.1
191.07178	3.2
191.10695	0.9
193.08693	3.3
195.06628	6.2
195.10220	4.2
197.08229	2.6
201.09178	0.9
201.14929	1.1
203.07114	1.4
205.08784	4.0
206.09425	1.1
207.06664	1.3
207.10304	5.3
208.07361	2.2
209.08202	81.3
210.08557	4.6
213.07726	1.0
217.08688	3.6
221.11824	3.6
222.08931	0.9
223.09747	26.6
224.10387	4.8
225.05594	15.9
225.07706	1.5
226.06010	2.3
227.12933	3.9
228.06334	2.1
229.08743	1.4
233.08231	1.1
235.09732	11.3
236.10439	1.8
237.11331	0.9
247.09709	1.5
249.11372	1.5
251.09232	9.7
252.09894	5.0
253.10797	12.5
259.02161	0.9
261.11298	1.4
263.09229	0.9
265.10809	11.6
266.11447	3.9
267.08810	1.0
271.02472	1.1
279.12469	2.9
291.16183	1.4
293.10318	2.7
293.13797	1.1
298.10513	1.8
305.21191	1.0
305.44122	0.8
307.11938	1.1
307.21799	2.7
321.13397	1.1
321.16989	1.8
331.15768	1.0
334.17139	0.8
335.18661	2.7
345.17133	1.6
349.12976	0.9
349.16522	16.1
350.17050	1.8
361.20248	1.7
363.18097	31.9
364.18555	4.9
367.11853	4.9
368.12030	1.0
385.12900	6.5
389.19443	7.5
391.17587	2.1
405.19321	2.4
406.19867	4.8
407.20001	1.0
423.20255	100.0
424.21063	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	423.2027
Annotation	Nigakilactone H
Peak:m/z	Relative Intensity
57.03455	20.1
59.01379	11.7
59.43649	1.3
63.87461	1.3
68.99799	4.7
69.03453	1.5
70.41753	5.5
71.05021	16.6
73.02950	1.4
83.05042	2.7
83.37566	1.6
85.02962	100.0
87.00893	8.9
89.11845	1.5
90.39329	1.7
95.01336	1.6
95.05003	2.1
97.01053	1.5
97.02917	2.2
97.06563	3.3
99.07557	1.9
99.08176	29.7
101.06087	17.1
109.02930	1.7
109.06567	3.3
111.00896	1.7
111.04497	1.8
111.08134	2.2
119.82818	1.3
123.04517	2.9
123.08138	1.9
125.06112	24.2
125.09765	8.6
127.07670	20.7
127.81696	1.4
135.04521	2.2
137.06107	3.4
150.03241	1.8
151.07625	3.3
153.05501	3.6
153.09227	2.4
169.08730	71.4
170.09106	2.4
172.08925	1.4
177.09218	2.0
181.08662	3.3
195.06566	3.5
197.08228	6.7
205.08656	2.1
206.09431	1.9
207.10168	4.6
207.13858	2.1
208.07368	2.1
209.08240	10.8
209.11751	5.6
219.06577	1.8
221.08185	2.1
221.11725	2.2
223.09552	2.2
225.11183	2.4
227.12840	4.1
227.20235	2.6
228.06339	2.4
235.09650	2.9
237.43060	1.7
251.09210	4.2
253.10788	2.0
253.37454	1.9
261.11325	3.3
265.10669	2.4
271.13425	1.9
273.15009	2.2
276.13583	3.2
277.14221	2.4
297.13486	2.9
305.13699	2.6
307.19040	2.9
321.13327	2.4
321.16962	1.4
335.18463	5.8
343.18982	2.2
345.16989	2.6
346.17657	3.4
349.16574	16.1
350.16693	1.9
361.20255	18.1
363.18158	17.2
364.18542	3.7
379.21313	28.8
380.21631	2.8
389.19449	1.9
405.19125	5.3
406.19635	2.8
415.42285	1.6
423.20047	69.2
424.20319	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	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28102	0.3
57.03453	0.6
58.00601	0.5
58.02976	0.3
59.01382	100.0
60.01714	1.2
60.99312	4.0
61.21090	0.4
61.98837	2.4
71.01387	8.1
71.71638	0.6
71.72069	0.5
72.99315	0.8
73.02965	0.6
74.02494	1.2
75.00887	0.4
75.77068	0.4
83.01379	0.6
85.02960	1.9
87.00890	0.9
88.98818	27.8
89.02455	11.7
95.01424	0.5
96.96023	7.3
97.06590	0.5
99.05699	0.6
101.02464	5.3
107.01422	0.6
109.02992	1.4
113.02467	4.3
119.03512	4.6
119.04194	0.4
120.03894	0.4
120.99747	0.4
121.94603	0.4
125.02485	1.4
128.03568	2.4
129.03935	0.8
131.03546	0.9
137.02477	1.1
143.03603	0.7
143.04677	2.2
144.05046	0.5
149.02527	0.8
151.00417	1.9
151.04077	0.7
160.00784	0.4
161.04576	2.3
175.04045	0.7
177.02069	0.7
179.05685	5.0
179.07152	0.6
191.05690	1.5
201.11340	5.8
205.77939	0.5
207.06667	0.9
217.05180	0.5
243.03036	1.2
259.02213	0.5
259.07422	1.2
261.04028	3.8
261.13467	1.4
272.08887	0.6
285.04236	1.3
303.04242	0.8
306.07816	1.6
307.07898	3.9
308.07571	0.8
313.03497	0.4
335.09067	1.1
363.16690	0.5
369.91919	0.4
387.16708	0.8
423.08655	1.9
423.19366	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2026
Annotation	Scutalbin C
Peak:m/z	Relative Intensity
57.03445	3.7
59.01370	7.2
61.98823	1.2
68.99809	3.0
69.03462	2.4
69.83012	1.0
71.01380	1.4
71.05038	0.8
71.48520	1.6
73.02972	1.1
81.03459	1.5
83.05022	2.3
85.02960	19.5
85.06588	0.9
87.00893	12.4
95.05035	4.1
97.02963	1.9
99.08166	2.7
101.06108	2.1
107.05052	1.1
109.02966	1.0
109.06596	9.6
111.00868	0.8
111.04527	6.1
113.02451	6.5
113.06081	1.6
122.03804	1.0
123.04559	1.7
123.08196	1.1
125.02451	3.0
125.06100	29.2
125.09744	1.5
126.06461	1.4
127.07671	10.9
135.08191	0.8
137.02408	0.9
137.06088	3.7
139.03999	2.1
141.01955	1.2
141.09331	1.0
151.00276	1.0
151.07704	0.9
153.09233	1.7
155.07199	1.4
165.09216	1.3
167.03514	2.2
169.08722	4.1
177.09299	1.2
179.07234	1.0
180.04201	0.8
180.11052	0.9
181.05083	2.4
183.06636	21.9
184.06984	1.2
191.07127	1.3
193.08676	1.6
193.12383	4.0
195.06638	8.1
195.10303	1.6
196.07292	1.1
197.08200	100.0
198.08499	4.6
205.08661	1.0
207.10280	6.5
208.07457	1.4
209.08199	31.9
210.08548	2.3
214.04877	1.1
221.08218	0.8
221.11816	9.3
223.07805	1.3
223.09764	12.7
224.10535	1.2
225.07780	3.9
225.11269	3.9
227.12694	0.9
228.06354	3.4
233.11661	1.0
235.09813	3.9
236.10454	1.3
249.11382	1.4
251.09216	3.0
251.12796	1.2
252.10010	1.6
253.10786	2.6
263.13083	1.0
265.10773	5.2
265.14417	1.6
266.11481	1.7
277.14359	1.1
279.12286	1.2
293.13895	3.1
303.16226	1.0
305.13940	1.7
317.17508	1.0
321.16992	1.8
335.18634	21.5
336.19043	1.9
343.19000	1.1
345.16971	1.0
347.18372	1.0
349.16550	4.7
350.16864	1.2
361.20200	9.0
362.20792	1.0
363.18118	18.1
364.18555	3.2
387.14960	0.8
388.19177	1.1
389.19751	4.9
390.19812	1.1
391.17795	1.6
405.19186	40.1
406.19611	8.7
423.20227	61.0
424.20511	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	423.0933
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
57.03414	0.3
58.40926	0.3
59.01326	5.2
61.98834	1.8
63.02406	2.1
64.58247	0.3
65.00324	3.8
65.03915	0.3
68.99786	0.3
71.01386	1.9
71.71502	0.4
72.99285	0.5
73.02909	0.4
75.00866	0.4
78.95882	0.6
80.91638	1.0
81.03419	0.6
83.01400	4.1
85.02950	0.5
89.02464	1.7
92.42066	0.3
96.95972	0.5
96.96926	1.4
97.02913	0.4
101.02401	1.3
103.05554	0.4
107.01400	6.1
107.04988	0.9
108.02227	0.4
108.17950	0.3
109.02971	3.1
113.02402	1.0
116.92886	1.7
119.03489	0.7
119.05054	0.5
120.99648	0.5
121.02936	0.5
123.04489	0.7
125.02460	3.5
125.06048	0.4
131.04260	0.4
131.05055	4.6
133.02977	3.4
135.00865	1.6
137.02437	1.7
139.42429	0.4
143.04938	0.5
145.06586	0.9
147.04498	1.2
149.02408	0.9
149.06108	2.6
150.99184	0.5
151.00391	10.3
151.04027	6.9
152.00787	0.5
153.01944	0.5
155.04968	1.1
157.02914	1.2
161.02457	0.5
164.01134	0.5
171.04506	0.8
173.04645	0.6
173.06094	10.3
174.03259	2.1
174.06381	0.8
175.02516	0.8
175.04025	12.1
176.04314	0.6
177.01944	6.6
178.02330	0.5
185.16678	0.4
187.03986	1.0
188.04765	0.4
188.64754	0.3
189.01935	0.6
189.05545	1.1
191.03624	0.6
191.05598	1.7
193.05064	2.8
198.03366	0.5
199.04031	10.7
200.04323	0.7
201.01912	1.1
201.11343	1.3
202.02589	0.4
202.99815	0.8
205.01302	0.4
213.05568	0.5
215.03386	0.8
217.05061	9.6
218.05446	0.8
219.02948	1.4
223.04051	0.6
227.03384	1.0
228.04372	0.4
229.05057	0.5
233.04492	0.7
241.05075	1.0
242.02254	0.5
243.02983	31.2
244.03351	2.6
255.02937	1.3
256.03867	0.7
257.04480	1.1
259.02530	0.7
261.04034	100.0
262.04364	8.7
265.45526	0.3
267.02994	4.4
268.03418	0.4
269.04559	0.5
275.05594	0.9
285.04047	21.6
286.04303	2.4
297.03955	1.2
303.05093	7.7
304.05548	0.8
315.05124	1.4
316.05524	0.4
363.07144	0.8
363.16626	1.7
405.08218	0.6
423.09421	17.0
423.18802	0.8
424.09695	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	423.0935
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
51.42900	0.3
55.90401	0.3
56.85778	0.3
57.03436	0.5
59.01371	0.7
63.02395	7.2
64.02718	0.4
65.00327	17.2
66.00671	0.5
66.30435	0.3
71.08437	0.9
76.21483	0.3
78.95933	0.5
81.03473	0.7
83.01395	11.3
84.01727	0.4
88.26794	0.3
96.96013	0.6
96.96968	2.3
103.71230	0.3
107.01405	28.7
108.01628	0.5
108.02247	0.7
108.99336	0.5
109.02966	50.3
110.03301	1.4
113.02469	0.4
121.02936	0.4
125.02469	7.9
126.02785	0.5
133.03000	0.4
149.02457	1.1
151.00389	88.3
152.00722	3.7
169.01433	3.7
171.04410	0.4
175.04042	0.7
177.01923	0.7
193.01396	0.5
199.03999	1.0
215.03543	0.5
243.03003	3.7
244.03250	0.4
259.02481	0.9
261.04031	100.0
262.04404	8.5
285.04034	0.7
313.05746	1.8
381.01236	0.4
391.90088	0.4
410.34726	0.4
423.09341	40.9
424.09708	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	423.0934
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
57.03459	1.2
59.01379	7.1
59.01670	0.4
61.98835	3.4
62.11655	0.3
63.02409	0.7
64.51447	0.2
65.00323	2.6
66.05265	0.3
68.99838	0.3
69.83096	0.9
69.83511	0.9
71.01387	3.5
72.99320	0.4
73.02957	0.6
75.86502	0.4
76.69421	0.3
77.65475	0.3
78.95892	2.7
79.23406	0.3
81.03462	0.5
83.01392	2.7
85.02970	0.8
87.00871	0.4
89.02455	2.3
89.03993	0.6
93.03510	0.3
95.01374	0.4
96.96030	2.9
96.96972	6.0
99.86542	0.3
99.92599	0.9
101.02470	1.4
107.01395	3.5
107.05038	0.8
108.30385	0.3
109.02969	2.5
113.02491	0.9
115.92090	5.9
116.92110	0.5
116.92892	1.2
119.03519	0.8
119.05058	0.9
121.02935	0.4
123.04578	0.3
123.51414	0.3
125.02460	5.4
131.05049	3.5
132.05391	0.5
133.02963	1.8
135.00929	0.6
137.02443	0.5
143.05038	1.1
145.02997	0.3
145.06650	0.5
147.04541	1.2
149.02451	1.1
149.06110	1.3
151.00381	6.1
151.01540	0.4
151.04018	5.0
153.01941	1.2
155.05055	3.3
156.05412	0.3
157.03009	2.0
159.04489	0.4
161.02449	0.6
161.04649	0.3
171.04541	1.9
173.02525	0.6
173.06094	3.4
174.03217	1.2
175.04019	13.1
176.04350	0.9
177.01944	2.9
187.04074	1.1
189.01872	0.4
189.05614	0.7
191.03529	2.2
191.05615	0.8
193.05087	2.2
198.03290	0.9
199.04019	19.2
200.04280	1.4
201.01988	1.6
201.11392	2.1
213.05516	0.3
214.02779	0.3
215.03487	1.4
216.04283	0.5
217.01674	0.3
217.05070	5.4
219.02992	1.2
226.02715	0.9
226.96501	0.6
231.03056	0.6
232.00049	1.5
233.00978	0.4
233.04521	1.0
239.03368	0.3
243.02982	84.5
244.03305	7.9
245.59221	0.3
247.02544	0.5
257.04532	0.5
259.02457	1.1
261.04022	100.0
262.04370	8.1
275.01813	1.3
285.04068	0.5
292.01398	0.3
303.01468	1.8
303.04797	0.7
333.02505	0.4
361.05960	2.2
362.06125	0.5
363.16577	2.2
423.09750	8.7
423.18967	1.0
424.09900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15052	0.4
51.72643	0.4
57.03445	0.9
57.30841	0.4
58.02972	0.5
59.01382	30.6
60.81312	0.4
60.99311	0.6
61.98834	17.2
63.02388	0.7
65.00326	5.6
68.21729	0.4
68.99795	0.5
71.01391	4.5
71.71765	0.6
73.02943	1.1
81.78869	0.4
83.01408	3.9
84.95122	0.4
85.02972	0.5
87.00893	1.0
87.04516	0.7
88.98814	3.9
89.02444	1.5
89.03954	1.1
95.01411	0.7
96.96033	2.4
99.05633	0.4
101.02451	1.7
107.01407	6.2
107.05030	0.8
109.02991	3.5
113.02461	1.1
114.19109	0.4
119.03507	0.7
120.99654	0.5
123.04559	0.5
125.02454	5.7
128.03549	1.1
129.07079	0.5
131.05063	5.7
132.04573	1.0
133.02968	3.9
135.00871	0.9
137.02507	0.6
143.04764	2.0
144.04947	0.5
145.02921	0.6
145.06572	0.7
147.04546	1.6
149.02406	0.7
149.06122	2.6
150.06444	0.4
150.99190	0.7
151.00389	11.1
151.04027	8.4
152.04335	0.5
155.05063	4.5
157.02956	2.4
159.00891	0.5
161.06134	0.7
169.08788	0.7
171.04568	1.5
173.06116	10.5
174.03264	2.9
174.06366	0.6
175.04030	22.2
176.04382	2.0
177.01967	9.2
177.03482	0.6
181.12320	0.5
187.04037	0.8
188.04732	1.1
189.01961	0.9
189.05562	1.4
190.02718	0.7
191.03539	2.5
191.05714	0.7
193.05080	6.8
198.03210	1.0
199.04025	22.6
199.09850	0.6
199.13365	1.0
200.04344	1.4
201.02034	2.5
201.11368	8.2
202.99910	0.7
215.03500	1.9
216.04050	0.6
217.05072	21.9
218.05376	1.6
219.02991	1.7
231.02873	0.9
233.04558	1.6
243.02982	82.1
244.03310	7.2
259.02362	2.4
260.03116	1.9
261.04031	85.7
261.13361	5.8
262.04370	8.3
262.13757	0.8
285.04047	1.2
306.07642	1.7
307.07858	2.2
308.07306	0.8
313.12985	2.8
331.14053	1.7
342.06961	0.4
349.14969	0.7
363.16479	1.1
388.42932	0.5
423.09354	100.0
424.09683	13.9
443.03763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84569	0.5
59.01382	10.0
63.02397	1.4
63.66856	0.5
65.00319	2.9
71.01393	4.8
71.09370	1.3
71.09708	0.6
72.99319	1.7
73.02931	0.6
74.99081	0.5
75.00876	1.3
78.95906	0.7
79.08236	0.5
79.95744	8.7
80.96527	0.8
83.01393	2.2
84.02568	0.5
85.02976	1.9
87.00865	0.8
89.02449	3.1
89.05644	0.5
93.03476	1.0
96.96033	1.4
96.96983	1.6
98.11333	0.6
101.02456	2.8
107.01406	5.2
107.05025	0.9
109.02961	8.5
113.02456	1.5
116.92888	1.6
119.05042	81.6
120.05389	4.3
125.02462	2.3
128.03571	1.1
131.04988	0.6
134.03714	0.6
134.71239	0.5
135.04541	12.5
137.02417	0.7
151.00389	13.4
151.03842	0.7
152.00665	0.6
163.04028	36.3
164.04352	2.0
165.88618	0.8
169.01476	0.7
175.03981	1.8
177.01938	0.9
177.05612	0.6
181.05077	13.2
182.05481	0.8
191.05504	1.0
199.00720	30.8
199.03957	2.5
200.00972	1.4
215.00195	15.6
216.00476	1.2
217.05058	0.6
223.06171	0.9
242.99979	2.6
243.02992	8.1
261.00705	10.0
261.03976	25.8
262.04376	1.1
285.04053	0.8
343.10165	4.0
360.06628	0.6
423.05884	100.0
424.06183	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	422.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57917	0.5
57.03447	2.2
59.01382	2.8
61.98832	100.0
71.01411	0.6
71.05021	0.9
71.71619	0.4
71.72011	0.6
72.39079	0.4
72.95664	0.4
83.05032	0.5
84.59988	0.5
85.02955	2.8
85.06603	0.5
87.00881	2.3
97.02980	0.8
99.08187	2.5
101.06100	1.8
109.02977	0.7
109.06619	0.7
111.04536	0.6
111.16199	0.5
111.66103	0.6
115.00397	2.2
123.00885	0.5
123.04695	0.5
125.02484	1.1
125.06108	4.1
127.07681	1.1
137.02524	0.7
137.09729	0.6
153.09230	0.6
159.30472	0.6
159.72182	0.4
163.11395	0.4
167.03445	0.5
167.10776	0.6
169.08762	1.1
177.94443	0.5
181.08713	0.6
195.06685	1.3
197.08217	2.9
209.08156	2.6
211.06206	0.7
211.13434	0.7
223.09789	1.2
225.07767	0.9
225.11281	0.5
235.09583	0.7
239.09438	0.7
258.47476	0.6
302.03839	0.5
311.98892	0.5
335.18454	1.1
349.16504	0.9
363.18192	2.3
379.21143	0.6
389.19836	1.0
405.19345	1.1
422.22992	1.7
423.15063	0.7
423.20218	13.9
431.97711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88126	0.4
51.90604	0.4
55.01872	2.2
57.03443	3.0
58.00587	0.5
59.01086	0.8
59.01380	15.8
60.39916	0.4
61.98837	10.1
67.05805	0.4
69.03477	0.6
71.01385	19.7
71.05019	0.6
71.72562	0.5
72.99316	1.3
73.02951	8.8
83.01395	5.4
83.05022	0.6
85.02963	11.4
86.00083	0.9
86.48981	0.5
87.00880	1.4
89.02452	3.8
90.33519	0.4
95.01407	1.6
95.05062	0.8
97.02949	0.8
99.00904	4.6
99.08191	0.6
101.02457	19.7
101.06112	0.5
105.48438	0.4
109.02976	0.7
110.66252	0.4
111.00896	1.1
111.04535	0.8
113.02465	7.5
115.04002	0.5
123.08157	0.7
125.02503	2.4
125.06089	1.4
127.07705	0.9
129.02037	0.6
131.03522	1.2
132.82231	0.4
137.02437	1.1
138.12192	0.4
141.09235	0.5
143.03510	0.9
147.57864	0.4
151.04126	0.7
157.05170	0.6
159.03004	1.5
161.04594	7.8
191.05566	0.7
195.06654	0.9
197.08218	0.8
199.13480	0.4
209.08229	3.0
211.04030	0.6
223.09724	1.0
227.03474	1.0
233.06665	0.5
243.02875	1.4
245.46779	0.7
247.09720	0.6
251.09244	1.0
255.02957	1.2
258.01685	1.8
259.02377	3.8
260.02902	0.9
261.11313	0.9
265.14511	0.9
271.02402	4.0
272.03116	1.6
273.03973	4.5
279.12320	0.4
283.02478	24.9
284.02853	2.5
285.00381	0.7
287.01947	3.5
289.03171	0.5
291.18137	34.5
298.00964	1.5
299.01910	1.4
301.03497	4.7
302.03833	1.6
313.07166	0.7
323.05508	2.3
332.32516	0.5
335.18369	1.3
341.06726	8.1
342.07104	1.2
349.16522	1.8
359.07724	100.0
360.08032	9.5
363.18137	1.8
385.13028	0.6
386.13220	0.7
421.18912	0.8
421.23697	2.3
422.08173	1.3
422.19193	0.8
422.24579	0.9
423.07205	1.8
423.22418	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	422.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03453	1.7
59.01381	7.2
60.01702	0.3
61.98513	0.5
61.98833	10.6
69.03445	0.6
71.01389	7.3
71.71993	0.3
72.99306	0.5
73.02959	2.9
83.01390	2.0
83.05019	0.5
84.37812	0.3
85.02961	4.9
87.00880	0.8
89.02442	0.9
95.01405	0.7
95.05031	0.5
96.96007	0.4
97.02946	0.5
97.50153	0.3
99.00881	1.2
99.04572	0.4
99.08128	0.4
101.02459	8.1
109.02982	0.5
111.04527	0.3
113.02461	3.3
119.70273	0.3
123.04546	0.4
123.08201	0.3
125.02473	1.5
125.06087	1.2
127.07622	0.7
131.03508	1.0
137.02449	0.5
143.03534	0.6
151.00319	0.4
151.04050	0.5
157.05153	0.3
159.02988	0.7
161.02434	0.4
161.04556	2.9
183.04382	0.4
185.23759	0.3
187.03949	0.4
191.05569	0.8
192.05927	0.4
195.06511	0.3
197.08177	0.5
199.04041	0.6
199.13376	0.6
209.08191	1.9
211.04016	1.0
214.41266	0.3
223.09686	0.4
227.03473	1.1
235.09657	0.3
239.03484	0.5
243.02927	1.2
251.09161	0.4
255.02965	1.1
258.01706	2.1
259.02380	3.3
260.02765	0.8
265.14511	0.8
271.02411	4.1
272.03174	1.7
273.04053	5.2
282.01489	0.4
283.02481	25.1
284.02859	2.4
285.00253	0.3
287.01920	3.3
291.18124	16.3
298.01102	1.5
299.01907	0.9
301.03531	5.3
302.03906	1.1
307.19138	0.4
313.07101	0.4
323.05725	2.4
324.05972	0.4
335.18463	0.7
341.06653	9.9
342.07022	0.9
349.16602	0.8
359.07727	100.0
360.08072	11.6
363.18109	1.3
385.12570	0.7
386.13101	0.5
421.18845	0.4
421.24252	1.6
422.08463	1.1
422.18961	0.9
422.24484	0.7
423.07291	1.4
423.20313	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	421.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05879	0.7
55.01861	1.0
57.03451	32.5
59.01382	14.7
61.98832	6.8
69.03444	2.8
71.01379	3.2
71.05022	6.9
72.99311	0.9
73.02934	1.4
75.00860	0.8
81.03462	1.2
83.01395	1.3
83.05048	4.0
85.02959	3.1
85.06573	0.7
87.04531	11.4
89.02479	0.9
93.03465	1.5
95.01390	0.7
95.05025	2.1
97.02962	0.8
97.06588	3.4
99.00861	1.2
99.04527	0.9
101.02450	2.5
101.06104	1.8
107.05029	1.6
108.79548	0.7
109.02956	1.7
109.06572	1.4
111.04506	1.0
111.08186	2.1
113.02434	1.4
119.08677	1.2
120.99617	0.7
121.06612	3.4
123.04565	0.8
123.08224	1.0
125.02470	6.6
125.06081	1.0
133.06592	1.1
135.04599	0.7
135.08179	2.6
137.02466	12.6
137.09737	2.1
139.07695	1.9
146.03734	1.2
147.08177	1.1
147.11829	1.7
148.05264	0.8
149.02515	1.1
149.09741	3.0
150.03220	3.1
151.04015	1.2
151.11314	4.1
155.10760	2.1
159.04549	0.8
161.09756	4.0
164.01183	1.5
165.01962	5.9
165.12862	2.1
167.03540	3.4
167.18828	0.7
167.20309	0.6
173.06113	1.4
174.03128	1.0
175.07619	3.1
175.11282	2.3
177.12878	10.5
179.03510	1.5
187.04079	0.8
189.12965	1.9
190.02850	0.7
190.18103	0.8
191.05620	7.9
191.07156	1.1
191.10785	11.3
192.11136	1.0
195.06621	1.8
197.15469	2.4
199.13406	12.5
199.15062	1.4
201.09212	0.9
201.12943	1.3
202.06332	0.7
203.07202	1.1
209.11923	1.6
211.15036	0.9
217.08710	3.2
217.15997	9.4
218.16405	0.9
219.13924	0.8
221.15384	1.6
229.08641	2.7
229.15919	9.4
235.17036	6.5
236.17267	1.0
247.09969	3.4
247.17032	40.1
248.17377	4.1
258.01630	5.9
259.02386	6.4
259.06128	1.3
259.15518	12.4
259.19031	1.6
267.03030	1.2
269.18970	1.2
271.02405	1.9
271.16928	1.1
273.04083	1.4
285.04166	1.8
287.20181	38.2
288.20456	4.5
289.16443	1.6
301.03604	6.4
305.21225	100.0
306.21600	10.8
323.12936	1.8
331.04590	3.2
341.10513	1.1
342.41040	0.9
349.20169	1.6
364.56982	0.9
367.11853	6.1
368.12030	0.9
385.12909	11.3
386.13123	1.6
391.16699	1.0
421.07767	6.3
421.18942	8.2
421.24429	4.3
422.19061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01390	1.2
60.66671	0.3
67.37000	0.3
71.01422	0.8
71.49182	0.6
72.99314	9.3
73.02958	1.0
75.00880	43.3
76.01215	0.6
85.02975	0.5
87.00882	0.5
87.04534	2.3
117.01962	0.5
129.31770	0.4
139.07440	0.3
139.11313	8.7
140.11655	0.5
146.54668	0.4
151.11266	0.8
153.12892	1.8
154.70753	0.3
169.12357	0.7
183.10291	13.4
184.10626	0.7
188.47885	0.4
197.11839	2.0
213.11337	2.0
215.03450	0.4
215.12935	3.2
216.13266	0.4
228.46529	0.3
241.10843	4.5
241.51930	0.3
258.01678	5.0
259.02609	2.4
259.11856	100.0
260.09567	0.6
260.12183	8.2
271.02502	3.4
272.03174	1.3
273.04285	1.8
273.06693	0.4
274.96689	0.4
285.03998	0.7
301.03543	10.4
301.12881	3.2
302.03769	0.9
313.03531	1.3
326.78281	0.3
331.04581	7.1
332.04919	1.0
343.04538	0.5
361.05545	0.4
361.14923	0.5
421.08218	6.1
421.17099	26.1
422.08032	0.8
422.17337	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	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12911	0.4
56.77959	0.4
57.03443	2.7
58.00591	1.2
59.01381	34.0
61.98816	1.6
69.03468	0.6
69.92931	3.0
71.01390	4.3
71.05015	2.6
72.99306	1.0
73.02961	2.3
74.02474	0.4
75.00867	1.4
81.03463	0.7
82.95398	0.6
83.05030	0.9
85.02966	6.1
87.00878	0.9
87.04518	1.7
88.98820	1.3
89.02451	3.4
93.03498	0.4
95.01324	0.6
97.02966	0.7
97.06584	1.2
98.20610	0.8
99.04514	1.5
101.02447	2.3
101.06119	1.1
107.08639	0.5
109.06628	0.5
113.02474	3.5
117.18704	0.4
118.92659	0.5
119.03499	2.0
119.08701	3.3
121.06624	0.7
123.04498	0.6
125.09748	18.1
126.10089	0.9
127.07687	1.0
128.03592	2.3
135.08195	1.2
137.09749	13.7
143.03543	1.0
143.04663	2.1
151.00381	0.6
151.07690	4.2
152.08002	4.2
153.09193	0.8
155.10802	2.1
160.00752	0.7
161.04544	0.7
163.07631	0.5
167.03511	1.0
169.08711	0.8
175.04129	0.7
179.05710	0.8
181.08720	1.9
199.09781	100.0
200.10135	6.5
208.86345	0.4
210.08920	0.7
241.10773	2.4
254.07968	0.6
255.12370	0.6
256.12680	0.9
257.13885	0.7
258.01746	4.1
259.02475	6.4
259.05359	0.7
259.11835	3.6
260.02890	0.7
271.02481	2.2
272.03131	1.1
272.08853	0.6
273.03967	1.3
285.03912	0.6
301.03583	10.8
302.03873	1.3
306.07617	5.2
313.03424	1.3
319.26834	0.5
331.04694	5.5
332.04993	0.5
338.21152	0.6
358.12204	4.7
359.12445	0.6
361.15048	0.7
381.50485	0.5
421.07751	7.0
421.17279	1.4
422.07971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40093	0.3
57.03447	0.6
57.49969	0.3
58.00605	0.6
59.01373	1.4
61.98812	0.4
69.03465	0.3
70.12456	0.3
71.01384	1.1
71.04931	0.8
71.05262	0.5
72.99313	9.5
73.02962	0.7
75.00877	44.4
76.01197	0.7
85.02960	0.4
87.04515	2.6
99.00859	0.3
118.64415	0.3
132.77280	0.3
139.11310	10.2
140.11578	0.4
147.47783	0.4
153.12859	1.9
166.62456	0.3
169.12311	0.6
174.71742	0.3
179.57968	0.4
182.13776	0.3
183.10272	12.9
184.10622	0.5
197.11848	1.5
213.11311	2.0
215.12895	2.6
241.10838	4.0
242.11237	0.5
258.01645	4.9
259.02695	2.1
259.11844	100.0
260.12198	8.4
271.02463	2.3
272.03149	1.3
273.04041	1.6
285.04062	0.6
301.03552	7.7
301.12955	3.6
302.03827	0.8
310.03766	0.3
313.03510	0.7
315.90347	0.4
331.04495	5.3
332.04745	0.5
334.94830	0.3
361.15039	0.5
421.08307	5.5
421.17120	25.8
422.08267	0.7
422.17358	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	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57488	0.7
55.01878	1.2
57.03444	2.2
58.00595	1.5
59.01379	30.7
61.98836	9.5
69.03461	1.1
69.98868	4.2
71.01394	15.5
71.05035	1.2
72.99312	14.9
73.02965	3.3
75.00878	58.8
76.01228	1.0
83.01408	2.5
85.02967	5.0
87.00896	1.3
87.04538	2.2
89.02454	9.5
95.01441	2.4
97.06587	1.3
99.00924	1.6
101.02465	11.0
102.62305	0.8
108.02185	1.4
109.02992	3.6
113.02454	6.6
117.01955	1.6
119.03551	2.2
121.03007	1.4
123.00897	1.2
123.04562	1.1
123.08199	2.9
125.02470	2.8
129.01958	1.3
135.04576	1.0
137.02495	5.5
139.11308	9.4
141.09239	48.5
142.09586	2.7
143.03583	0.9
145.02921	0.9
146.03702	1.1
149.30240	0.8
151.00421	2.7
151.04005	2.1
151.11354	1.2
153.01985	1.0
153.12889	4.9
155.10849	3.1
161.02486	2.1
161.04510	0.9
165.01929	4.5
165.09270	0.8
169.12392	2.1
171.10381	1.1
174.03249	1.4
175.07635	1.4
177.01978	2.3
179.03505	2.0
179.05589	1.1
183.10272	9.8
185.08202	3.9
186.03313	1.2
187.04044	1.6
189.02020	1.0
191.03548	2.7
191.05586	1.2
195.06798	0.9
197.11842	5.3
199.09789	4.8
200.10095	0.8
202.02692	2.0
209.41043	0.7
213.01933	1.3
213.11423	2.5
214.02586	1.4
215.03566	3.3
215.12865	14.9
223.82135	0.8
227.03407	1.3
229.01492	1.3
229.05089	1.8
230.02258	3.1
231.02930	1.4
233.04631	1.3
237.06137	12.8
238.06735	0.9
241.10843	7.8
242.11209	1.1
243.03188	1.1
253.09445	2.6
255.02908	0.9
255.12392	0.9
257.04623	1.7
258.01688	98.1
259.02399	46.2
259.11856	84.6
260.02808	3.9
260.12164	5.7
271.02484	14.2
272.03152	7.4
273.04004	12.0
274.04367	1.6
283.02689	1.1
285.04120	4.3
301.03543	60.7
301.12827	3.6
302.03879	5.1
304.02216	1.6
313.03549	4.9
321.13599	1.0
331.04599	31.3
332.04922	3.8
361.05963	0.8
361.18716	1.0
385.12820	1.6
391.14142	1.7
403.06470	1.4
403.14365	2.7
421.07895	100.0
421.16949	92.5
422.08267	10.9
422.17395	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	421.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.3
57.03435	0.5
59.01389	1.8
60.49619	0.3
61.98825	2.0
64.03462	0.3
70.29228	0.3
71.01369	0.3
71.05019	1.1
71.72010	0.5
79.01900	0.8
79.93772	0.2
85.02971	0.6
95.05034	2.4
97.02945	1.3
99.08181	0.3
101.02543	0.2
101.06090	0.4
109.02911	0.5
111.04544	0.4
113.02444	0.3
121.02951	0.8
123.08208	0.6
125.02476	0.5
125.06095	1.7
136.05331	0.5
137.02492	0.4
137.06073	0.4
137.09731	1.6
139.04030	13.0
140.04382	0.4
151.00409	0.3
151.11240	0.3
163.04036	0.8
163.96375	0.3
165.01936	1.2
179.10793	13.5
180.11131	1.2
191.05655	2.1
191.10759	0.4
196.30623	0.3
197.08241	0.4
205.08705	1.0
206.02829	0.5
209.11885	0.6
215.10812	0.3
219.10275	0.4
223.09760	100.0
224.10075	6.9
230.06178	0.3
247.09720	1.1
253.10918	0.9
258.01642	1.1
259.02420	0.6
265.10770	0.9
271.02597	0.4
283.02484	0.3
289.21729	0.9
301.03690	1.3
325.07053	0.5
331.04630	0.4
345.63248	0.3
347.62570	0.3
358.03873	0.6
359.07877	0.4
385.15051	20.4
386.15509	2.3
421.08267	0.8
421.18515	1.5
421.23764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0778
Annotation	Norswertianin-1-glucoside
Peak:m/z	Relative Intensity
59.01383	1.1
61.98831	1.3
62.64407	0.1
70.26704	0.6
71.01377	0.2
75.00877	1.8
87.00866	0.2
89.02460	0.5
89.04527	0.1
90.11510	0.1
125.02472	0.2
143.05037	0.3
145.02986	0.2
149.02452	0.1
150.55476	0.1
151.00403	0.4
159.04512	0.4
161.02406	0.2
163.03993	0.3
171.04564	0.3
173.02472	0.4
185.02446	0.2
186.03198	0.2
187.03979	1.4
189.01932	0.4
191.03610	0.7
203.03519	0.7
215.03499	5.0
216.03802	0.4
217.01436	0.6
229.01439	0.4
230.02200	7.3
231.02925	1.4
255.02986	0.3
258.01682	9.8
259.02460	100.0
260.02798	8.5
271.02310	0.4
273.03931	0.2
301.03528	1.3
331.04584	0.5
385.12567	0.3
421.07767	42.4
422.08136	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92243	0.3
58.36729	0.2
59.01382	1.4
61.53351	0.2
61.98832	2.2
65.00311	0.3
68.73961	0.2
69.85594	0.6
69.86008	1.1
71.01385	0.6
72.99294	0.5
75.00877	3.6
76.01196	0.3
87.04443	0.3
89.02436	0.7
95.01398	0.3
98.19958	0.5
104.49543	0.3
107.01407	0.3
108.02189	0.3
109.02966	0.8
121.02898	0.4
123.00880	0.9
123.04510	0.7
125.02470	2.1
126.99577	0.5
131.05002	0.3
133.06584	0.3
135.00914	0.2
137.02481	0.5
139.11278	0.6
143.05052	0.4
145.06662	0.4
147.00951	0.4
149.02451	2.4
149.99638	0.4
151.00366	1.5
151.03995	0.5
155.04974	0.3
157.06566	0.4
158.03741	1.1
159.04509	1.2
161.02469	0.8
161.06100	0.3
163.03986	0.3
169.01434	0.9
171.04601	0.8
173.02432	0.5
173.06073	0.7
174.03238	1.1
183.04509	0.8
183.10307	0.5
185.06090	1.0
186.03261	0.8
187.03957	1.2
189.01953	1.8
191.03522	0.8
191.05611	0.3
199.04013	0.7
201.05586	1.0
202.02748	3.2
203.03430	0.5
205.05054	0.6
206.42285	0.3
211.04037	0.4
213.02045	0.3
213.05782	0.3
213.11469	0.3
214.02742	0.7
215.03523	1.8
217.01401	1.5
227.03513	1.7
228.03992	0.3
229.05034	2.6
230.02176	0.7
231.02979	0.5
233.04538	0.6
243.02983	2.6
253.01425	0.7
255.02994	0.3
256.03702	0.3
257.04370	0.3
258.01669	20.9
259.02414	14.9
259.11792	4.7
260.02722	1.3
260.12231	0.5
271.02457	19.4
272.03131	5.4
273.04028	37.2
274.04395	2.7
283.02420	0.8
285.04068	9.3
286.04434	0.7
288.02835	0.3
298.01010	0.4
299.01993	0.8
301.03534	100.0
302.03867	9.8
304.02243	0.4
313.03580	3.0
315.05026	0.6
331.04572	17.9
332.04898	2.3
343.04608	2.2
355.04614	0.5
367.04779	0.9
385.05594	0.9
403.06610	0.5
421.07767	21.4
421.16748	0.7
421.37210	0.3
422.08142	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	420.203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.65931	2.7
69.66338	0.9
83.05828	0.5
85.35079	0.5
108.99516	0.5
240.63039	0.6
307.21677	0.5
320.67831	0.6
357.20840	2.5
421.22665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69420	0.4
70.09666	0.9
70.10084	1.0
72.99313	0.3
81.17556	0.4
92.43746	0.4
95.01366	0.7
108.02192	0.4
109.02954	1.8
119.01487	0.4
125.02465	1.8
147.04579	0.4
151.00365	3.4
155.57683	0.5
161.02477	0.7
163.00415	0.9
174.03241	0.7
179.03516	0.5
187.04004	0.7
191.03487	0.5
199.04033	0.6
201.05470	0.6
202.02734	0.5
203.03473	0.7
214.02655	0.7
215.03471	2.2
217.01366	0.4
227.03476	1.8
228.04077	0.5
229.01425	0.5
229.05049	1.5
230.02222	1.8
231.03094	0.5
241.04726	0.4
243.03041	1.6
255.02983	0.6
257.04697	0.4
258.01675	43.6
259.02377	18.0
260.02817	1.6
271.02472	23.8
272.03189	13.4
272.07755	0.4
273.04004	16.8
274.04370	1.5
283.02411	2.1
284.02988	0.5
285.04031	8.0
286.04431	0.7
298.01157	0.7
299.01978	0.9
301.03540	100.0
302.03891	9.0
304.02280	2.7
313.03516	9.4
314.03894	1.2
329.03091	0.6
331.04593	61.4
332.04922	5.0
343.04443	1.8
361.05719	1.4
385.05792	0.8
403.06607	1.8
421.07773	52.9
422.08069	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	421.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30294	0.3
59.01376	1.9
61.98829	0.3
63.38729	0.3
69.66283	2.1
71.01366	0.3
72.99321	1.3
75.00874	3.6
82.95425	0.4
85.02991	0.3
87.04543	0.3
89.02448	0.6
101.02423	0.4
108.02165	1.3
113.02484	0.4
125.02457	0.4
139.11351	0.4
141.09145	0.3
143.05014	0.3
145.02919	0.3
151.00377	0.8
158.03714	0.5
159.04555	0.7
161.02484	0.5
174.01891	0.3
174.03178	1.5
183.10277	1.0
186.03212	0.9
187.04048	1.8
189.01863	0.4
190.27026	0.3
191.03491	0.8
191.05609	0.3
199.09776	0.5
201.01987	0.3
202.02725	1.0
203.03506	0.9
213.01851	1.3
213.11238	0.3
214.02696	0.9
215.03484	4.5
217.01498	0.7
229.01405	1.4
230.02170	3.1
231.02759	0.9
241.10878	0.3
255.12468	0.3
257.00964	0.5
258.01669	93.4
259.02414	76.7
259.11798	7.4
259.14587	0.7
260.02777	5.9
260.12106	0.5
271.02411	1.5
272.03113	1.1
273.04013	1.0
285.04083	0.4
301.03525	6.6
301.12781	0.5
302.03845	0.4
313.03528	0.5
331.04605	4.8
332.04855	0.6
343.18219	0.3
421.07755	100.0
422.08081	11.8
422.16760	0.4
443.33173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
59.54487	0.1
61.98832	100.0
62.98529	0.2
65.84579	0.1
70.05598	0.3
70.06004	0.1
71.01383	0.1
81.03453	0.1
98.20550	0.1
121.03014	0.1
125.02478	0.3
137.50986	0.1
151.07661	1.0
195.06641	5.2
196.07027	0.3
196.96034	0.1
200.34514	0.1
202.75180	0.1
258.01630	0.4
259.02454	1.1
271.02603	0.2
272.03220	0.1
273.04102	0.1
288.02890	0.1
299.02029	0.2
301.03549	0.8
324.63718	0.1
331.04642	0.7
357.11929	1.1
358.12299	0.1
361.18576	0.2
403.06851	0.1
420.11218	0.1
421.07535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69602	0.2
51.06326	0.1
59.01382	1.0
61.98833	100.0
62.98524	0.3
79.91732	0.2
81.03486	0.2
82.28989	0.2
109.02978	0.2
111.04559	0.2
113.21569	0.2
118.30187	0.2
125.02447	0.3
151.07655	0.9
152.33728	0.1
175.07747	0.2
187.04047	0.2
189.12071	0.2
195.06647	5.0
196.07021	0.5
214.06110	0.2
230.02255	1.2
239.27223	0.2
242.02361	0.2
243.02823	0.3
258.01685	8.0
259.02469	0.8
259.06171	0.3
276.59805	0.2
301.03647	0.6
357.11917	0.9
357.16074	0.2
405.07730	0.2
421.07773	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	420.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55617	0.7
52.34442	0.8
56.00080	0.7
57.03437	2.5
58.00574	0.7
59.01381	19.0
59.91516	0.7
61.08608	0.6
61.98838	7.7
69.03500	0.7
69.62905	6.4
71.01386	5.4
71.05027	1.5
72.99316	2.2
73.02953	2.0
75.00883	2.8
80.96534	5.8
82.95440	0.7
83.05003	0.8
85.02950	4.2
87.00912	0.9
88.98814	1.4
89.02461	3.8
94.98107	1.1
95.01398	0.8
97.06596	2.6
98.20627	1.5
99.00885	0.7
101.02455	3.3
107.08665	4.4
109.06599	4.2
113.02482	2.5
119.03539	1.4
119.08669	2.5
121.43760	0.7
125.02467	1.2
125.09731	4.9
131.51384	0.7
133.06660	1.1
135.04446	0.7
135.08188	1.5
137.09731	7.2
151.07666	100.0
152.08020	5.6
155.10873	1.2
164.98700	0.9
177.05586	8.5
179.05836	0.8
181.08681	4.5
195.06711	3.6
199.09779	38.7
213.11220	0.7
241.10796	1.4
255.12334	12.5
256.12592	0.9
257.10397	1.5
258.01541	4.1
258.10614	2.0
259.02441	5.7
259.11755	3.3
271.02426	2.2
273.04013	1.2
301.03522	9.4
331.04581	5.9
357.11923	74.1
358.12332	7.8
421.07874	14.1
421.17117	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	420.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01379	2.0
61.98833	100.0
64.01273	0.2
65.00307	0.3
71.01385	1.2
71.71682	0.3
73.02964	0.3
81.03452	1.0
82.31400	0.2
83.01414	0.3
85.02961	0.5
85.06622	0.2
87.04539	0.2
89.02460	0.6
97.02983	0.3
101.02465	0.7
109.02992	0.2
109.06621	0.6
111.04520	1.2
113.02497	0.3
113.06123	0.3
119.03515	0.2
125.02457	1.2
131.79785	0.2
133.02972	0.2
134.03749	0.2
135.04576	0.4
136.05354	0.2
137.02463	0.5
137.84338	0.2
149.02470	0.5
151.00417	0.4
151.07668	9.0
152.01180	0.2
152.07997	0.4
156.79016	0.2
161.04582	0.2
174.03233	0.2
177.05513	0.3
178.02725	0.3
179.07191	0.2
187.04007	0.3
189.02069	0.2
191.04033	0.3
191.05652	1.4
191.07169	0.4
194.05852	0.3
195.06639	36.3
196.06967	2.1
201.05557	0.2
202.99883	0.2
207.06740	0.3
209.08238	0.8
215.03499	0.7
219.06639	9.6
220.06976	0.7
229.01349	0.5
230.02055	0.3
237.07690	3.2
238.07771	0.2
247.09723	0.9
249.07692	1.1
257.00864	0.8
258.01669	6.3
259.02478	6.5
273.04086	0.3
274.04391	0.2
287.20224	0.4
297.09854	0.3
301.03519	0.5
331.04526	0.4
357.11929	21.2
358.12204	2.3
420.10223	0.4
421.07806	5.9
421.19733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71578	0.3
57.03450	1.2
59.01369	0.5
60.77852	0.3
61.98829	0.4
70.74805	0.9
74.63875	0.3
75.00874	0.2
76.38914	0.3
81.03455	0.2
82.21992	0.3
83.01302	0.3
83.05045	0.4
87.04564	0.3
97.02963	0.4
98.11946	0.3
99.08182	1.1
107.54549	0.2
109.02966	3.2
111.04540	0.9
112.13985	0.2
113.02473	0.4
121.52145	0.2
122.03784	0.4
123.00902	0.7
123.08146	0.3
124.01655	0.6
125.02486	2.1
125.06136	1.2
125.09756	1.5
133.02063	0.3
134.67450	0.3
135.08214	0.3
137.02467	19.9
137.06094	0.4
138.02901	0.9
139.04059	1.2
140.01169	0.3
150.03241	0.6
151.00394	0.5
151.04021	1.5
152.04724	0.6
153.01982	1.7
153.05573	0.5
154.02737	0.6
155.03517	0.7
164.01184	0.6
165.01938	4.8
166.02736	3.9
167.03519	5.1
168.04224	1.0
178.02684	0.5
179.03542	2.4
180.04308	6.1
181.01498	0.6
181.05078	6.8
182.02310	0.3
182.05713	0.5
183.03041	0.3
183.06647	1.2
189.09256	0.3
193.05060	0.8
196.03792	8.5
197.04341	0.8
198.05379	0.9
205.16092	0.3
210.40764	0.3
211.06136	58.6
212.06531	3.3
235.09833	0.4
259.13345	1.1
275.12796	0.6
276.13614	0.5
277.14432	5.5
278.14743	0.7
285.11295	0.8
286.11841	0.3
287.12811	0.7
291.16000	0.9
303.12445	2.7
304.13153	3.1
305.13959	31.2
306.14249	2.6
319.15524	8.3
320.16089	2.6
335.14990	3.6
335.18677	0.4
336.15491	0.5
345.20770	0.7
349.16522	0.4
350.17316	6.2
351.17761	0.9
373.20316	0.7
419.15170	2.7
419.24417	100.0
420.15475	0.6
420.24777	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	419.2441
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03455	0.6
59.01385	2.0
61.98841	1.1
71.01402	0.4
71.26987	0.5
72.84204	0.3
76.99792	0.3
79.05535	1.6
84.15408	0.3
85.06590	0.6
87.04514	0.5
88.54675	0.3
89.47703	0.3
95.05055	0.4
99.00896	0.3
109.02989	1.4
111.00928	0.3
111.04546	1.6
120.05862	0.3
121.02962	0.4
121.06609	0.4
123.08147	0.5
124.01656	1.9
125.02474	0.5
125.06084	0.7
133.06625	1.1
135.08183	4.0
137.02466	17.1
138.02856	0.9
151.04091	0.5
151.07668	0.3
153.09221	0.4
163.04048	0.5
163.07704	1.0
165.09268	0.7
167.10825	0.9
177.09280	1.1
180.04413	0.4
181.08710	0.7
190.56569	0.3
191.03529	0.6
191.07167	0.8
193.05119	0.5
193.12381	1.4
195.10349	0.9
205.08659	1.5
206.09438	0.9
207.06718	0.4
207.10284	0.4
208.07440	0.9
208.10913	0.3
209.08296	0.7
213.11374	1.4
219.10292	1.0
221.08192	2.6
222.08972	1.5
233.08287	1.1
238.08479	0.4
261.11343	0.3
262.58585	0.3
270.16351	1.2
271.16989	1.2
276.13669	24.0
277.13980	2.8
280.13382	0.4
285.18710	0.4
287.16422	0.4
289.18237	0.3
293.13980	0.3
311.20300	1.2
313.18283	1.0
313.22000	0.9
315.16132	1.3
315.19659	0.4
331.15765	0.6
343.22739	1.7
345.20789	10.7
345.24539	4.7
346.21225	1.5
346.24945	0.6
350.13702	0.6
355.19183	0.4
357.21094	0.5
375.21640	0.7
387.21768	2.9
388.22092	0.5
389.19440	6.2
389.23392	1.0
390.20035	1.0
401.19791	0.9
419.24588	100.0
420.24899	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	419.2443
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
54.69085	0.2
55.01863	0.3
57.03450	0.8
69.71662	0.3
69.72349	1.3
73.48304	0.2
87.30630	0.3
98.20599	0.4
99.00858	0.3
109.02975	3.6
111.04524	0.5
123.00880	0.9
124.01686	0.5
125.02485	2.2
126.57716	0.3
137.02470	20.7
137.06044	0.4
138.02849	0.8
139.04025	1.2
150.03227	0.4
151.00418	0.3
151.04004	1.1
152.04732	0.3
153.01945	1.7
153.05548	0.6
154.02780	0.6
155.03520	0.7
161.09705	0.3
164.01208	0.3
164.58899	0.2
165.01952	5.0
166.02722	4.0
167.03519	5.0
168.04282	1.3
178.02718	0.3
178.77986	0.3
179.03476	2.3
180.04305	6.3
181.01450	0.7
181.05087	7.3
182.02092	0.3
182.05666	0.9
183.02959	0.5
189.09229	0.4
191.07100	0.3
193.04939	0.3
196.03778	8.8
197.04308	0.8
198.05351	0.6
211.06133	56.8
212.06522	4.2
228.02852	0.3
259.13339	1.2
275.12894	1.0
276.13660	0.9
277.14444	5.6
278.14911	0.6
285.11453	0.3
287.12701	0.6
291.16071	0.5
303.12360	2.6
304.13162	2.6
305.13956	30.7
306.14240	3.3
319.15536	7.4
320.16144	2.5
335.15030	4.3
336.15485	0.4
345.20645	0.7
348.32346	0.3
349.16507	0.3
350.17386	6.9
351.17719	0.7
373.20401	0.6
395.67560	0.3
419.24402	100.0
420.24728	16.9
420.30621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2441
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
52.68075	0.4
56.52084	0.4
57.03436	0.8
68.83453	0.4
69.41082	0.8
69.41493	4.2
109.02904	0.6
123.00932	0.5
124.01676	1.6
127.04095	0.6
137.02470	4.4
139.03952	0.5
149.79430	0.5
153.01987	1.0
153.05589	0.8
154.02747	0.6
159.89670	0.4
163.34946	0.5
166.02774	0.9
167.03482	1.1
179.03560	0.7
182.02242	1.1
183.03102	0.5
193.12251	0.5
196.03792	1.0
201.09261	1.0
211.06133	5.2
217.08727	1.9
218.09435	0.9
219.10284	1.0
223.09665	2.6
230.69550	0.4
235.09789	1.8
245.08217	1.1
246.08939	1.3
247.09773	1.5
249.11279	0.6
259.13412	0.5
261.11292	0.6
261.14569	0.4
263.16434	1.1
275.12915	2.1
276.13715	2.7
277.14459	12.6
278.14807	1.2
291.16006	7.6
292.16351	0.7
293.13773	0.5
303.12415	3.5
304.13174	7.2
305.13937	55.5
306.14227	5.5
319.15524	16.0
320.16177	5.2
322.24905	0.5
335.15027	8.2
336.15228	0.9
345.20422	0.6
350.17410	11.3
351.17862	1.5
373.19974	0.5
419.24420	100.0
420.24741	17.1
420.30432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
60.68860	0.2
71.05012	0.4
71.18180	0.5
79.01887	0.2
83.01382	1.8
83.05038	0.4
84.06882	0.2
95.05065	0.3
97.06545	0.2
107.05035	0.3
123.04566	0.8
131.99586	0.2
134.54610	0.2
138.96323	0.2
149.06125	0.8
151.04024	7.8
152.04343	0.4
163.04172	0.2
165.02014	0.2
165.05618	1.1
177.01971	2.3
179.03555	1.0
180.04298	2.7
181.05075	1.7
193.05074	100.0
194.05670	10.8
195.06235	0.7
207.06648	1.8
207.13925	0.5
235.09911	0.3
236.10062	0.4
237.10335	0.2
249.11287	0.3
250.11661	0.3
259.17023	0.4
265.78247	0.2
273.11377	0.7
291.12387	6.4
292.12753	0.9
293.13974	1.1
299.11371	0.2
313.45975	0.3
333.17038	0.5
335.15094	0.4
349.16422	0.8
350.17365	6.5
351.17770	0.9
375.25342	0.4
388.17325	0.3
419.24399	88.5
420.24771	13.8
420.30591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2439
Annotation	cadiyenol
Peak:m/z	Relative Intensity
55.01892	0.3
55.21856	0.3
55.50730	0.3
57.03458	0.6
59.01372	0.5
71.01375	0.4
71.18606	0.4
71.18916	0.3
80.34035	0.3
94.01622	0.2
95.05030	0.4
108.29989	0.3
109.02308	0.3
109.02975	1.0
121.06583	0.5
124.01670	2.2
125.02536	0.3
135.08179	2.4
137.02461	36.6
137.09721	0.6
138.02847	1.0
142.96788	0.3
147.08089	0.3
148.05333	0.3
149.06064	0.7
151.03970	0.4
161.09700	0.7
163.07660	0.4
163.11310	1.2
167.10805	0.7
169.08720	0.3
169.12318	0.7
170.12625	0.3
189.09250	0.7
191.10831	1.3
193.12352	0.6
195.13969	1.5
199.13373	1.4
213.11186	0.7
221.11859	0.8
223.13388	1.1
251.12859	0.5
270.16327	0.4
275.16522	0.8
275.20013	0.4
276.13660	12.9
277.13922	1.8
295.17017	0.7
311.20306	0.5
313.18130	1.2
313.21381	0.3
315.16043	1.2
318.25571	0.3
331.15549	0.5
337.64563	0.3
345.20721	8.8
345.24374	0.9
346.21060	1.1
355.19138	0.3
387.21838	1.7
389.19458	7.7
389.23560	1.4
390.19858	1.5
419.24384	100.0
420.24713	16.7
420.30527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
59.01383	2.3
61.98840	0.9
71.05004	0.7
71.73312	0.7
71.92772	0.6
79.04920	0.5
80.13716	0.5
83.01419	1.2
85.06613	3.3
87.04552	1.9
87.05387	0.8
95.05081	1.1
99.08179	0.5
109.06650	1.7
111.04513	3.4
111.08179	0.7
113.02516	0.8
123.04575	1.0
125.06136	1.2
135.08206	0.6
137.06129	1.7
137.09734	0.8
145.02994	0.8
149.06065	0.8
151.04073	2.4
163.07661	3.0
165.05602	3.0
177.02031	0.8
179.03549	1.4
180.04311	3.0
181.05089	22.8
181.08707	1.2
182.05574	1.1
191.03615	0.8
193.05072	34.9
194.05602	4.2
195.06586	0.8
207.06648	34.2
208.07109	2.7
233.08363	1.0
233.15456	2.9
237.07935	0.8
251.09293	1.0
263.16443	3.1
279.12302	4.1
280.13150	14.0
281.08228	0.6
281.13623	0.8
305.17810	0.6
307.12277	1.1
307.15726	1.5
333.16953	0.8
334.27444	0.6
349.16635	0.7
350.17343	6.3
356.48380	0.6
419.24615	100.0
420.24997	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	419.2077
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
52.80552	0.5
55.91699	0.5
57.03453	3.9
57.79851	0.5
59.01390	2.3
61.98804	1.5
64.73828	0.5
69.03455	0.6
71.05016	1.0
71.71630	0.6
74.56111	0.4
78.95897	0.6
79.05553	0.6
81.03458	1.0
83.05039	2.9
85.06586	0.9
85.21103	0.5
87.04501	0.5
93.03412	0.4
95.05047	5.0
97.02953	2.7
97.06556	1.8
99.08206	2.3
99.08705	0.5
101.06070	1.9
103.29282	0.4
107.05051	2.8
109.02966	0.6
109.06599	2.4
111.04553	4.5
112.04813	0.6
121.02971	4.4
121.06568	1.7
122.03715	1.2
123.04518	1.1
123.08130	0.9
125.05239	0.5
125.06108	7.9
125.09724	0.6
127.07686	0.7
135.04533	1.0
135.08098	0.8
137.02399	0.5
137.09732	1.1
139.03992	0.9
139.07613	1.3
149.09708	1.0
151.03961	1.3
151.07568	0.7
153.05612	0.5
153.09221	3.5
161.09666	0.6
177.09096	1.9
179.07222	0.4
179.10797	11.6
180.04256	1.3
180.11006	1.0
189.12784	1.0
191.10681	0.6
193.04958	0.5
193.08643	1.3
195.06544	1.7
195.10301	4.4
195.13454	0.4
203.10670	0.5
205.08624	1.0
207.10252	0.5
208.10995	0.6
219.10193	0.7
221.08218	3.5
223.09782	4.1
231.13777	1.3
235.09781	2.5
236.10402	1.9
247.13280	1.2
249.15048	0.9
258.01471	1.0
265.14340	1.1
275.12646	0.6
291.12271	2.0
293.13904	5.9
294.14267	0.7
307.15283	0.6
307.47650	0.5
321.17126	0.9
335.14957	5.3
336.15167	0.7
357.20651	0.7
375.21655	1.0
391.21045	0.5
401.19214	3.4
419.20532	100.0
420.20844	14.9
420.27225	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	419.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01365	0.3
68.51721	0.3
69.56987	2.6
71.05022	0.6
82.03830	0.3
83.01379	1.5
95.05040	0.6
97.48992	0.3
107.05000	0.3
111.04514	0.3
121.06616	0.4
123.04526	0.6
136.39592	0.3
137.02458	0.7
137.06090	0.5
138.03230	0.3
149.06033	0.3
151.04025	4.0
151.07684	0.5
158.11282	0.3
163.07719	1.3
165.05580	1.9
177.01935	1.1
179.03508	1.7
180.04292	6.4
181.05061	2.7
181.12317	0.3
191.03430	0.4
193.05069	66.7
194.05724	8.4
195.06253	0.5
205.12364	0.6
207.06636	13.6
207.13945	0.9
208.07022	1.1
235.09715	1.6
249.11365	1.3
259.16916	0.5
273.11368	2.1
274.11829	0.4
280.13141	1.4
291.12369	14.0
292.12897	2.2
293.13928	11.5
294.14346	0.9
307.15439	1.5
321.17596	0.3
332.16254	0.4
333.16992	0.6
349.16595	0.5
350.17371	11.2
351.17712	1.1
375.25244	0.7
419.24390	100.0
420.24756	15.3
420.30527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76204	0.6
53.05734	0.6
53.38311	0.6
57.03466	1.7
58.00599	1.6
59.01379	23.1
59.01668	1.2
60.99314	1.2
61.98848	2.1
62.67159	0.6
69.72984	5.1
71.01385	8.9
72.99311	24.1
73.02957	1.6
73.09507	0.6
75.00880	27.6
80.91727	2.2
83.01422	1.3
83.05025	3.0
85.02998	2.8
87.00912	1.3
87.04527	0.8
88.50838	0.7
88.98818	7.6
89.02460	6.6
95.01416	1.0
95.71331	0.6
97.06606	0.7
98.19830	0.6
99.00898	1.3
99.04559	1.7
101.02425	3.6
103.00402	0.7
106.15202	0.6
109.02969	1.8
109.06611	0.9
111.04584	0.9
113.02475	3.1
117.01966	1.0
117.69382	0.5
119.03530	1.7
119.08688	1.4
121.06646	3.1
123.04566	2.4
125.06121	1.6
131.69020	0.6
135.04692	0.8
135.08212	1.7
137.09746	4.3
144.69562	0.6
149.09813	2.2
151.07698	2.1
151.11328	0.8
163.07668	1.8
165.05594	0.8
167.10783	1.6
177.09235	0.8
179.05670	0.7
181.08722	7.9
182.09052	0.9
195.10277	2.3
205.34660	0.7
211.09920	0.8
213.11333	40.7
214.11662	2.5
239.09265	11.0
251.28139	0.8
255.12268	3.0
257.10300	100.0
258.10611	7.3
299.11145	3.0
301.42654	0.7
359.13132	1.2
401.12631	1.1
402.47531	0.6
419.10144	1.9
419.15527	26.8
420.16049	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	419.2072
Annotation	Enanderinanin H
Peak:m/z	Relative Intensity
50.59943	1.9
55.01856	2.4
57.03430	6.6
59.01386	9.5
61.98835	39.0
64.13914	1.8
67.50176	1.8
69.03436	4.6
71.72011	2.7
79.05521	2.2
83.01377	3.0
83.05000	7.2
85.02945	13.1
85.06580	5.5
87.04532	18.9
93.03468	2.2
95.04490	2.4
95.05034	36.9
97.02938	7.7
97.06559	3.3
107.05002	2.6
109.02917	3.0
109.06573	2.3
111.04542	20.1
113.06049	4.1
119.08662	1.8
121.06577	3.1
123.08109	6.3
124.01611	3.0
125.02421	7.2
125.06065	5.4
127.00349	2.9
133.06575	3.5
135.04536	2.4
135.08086	3.6
137.02481	21.6
137.06053	2.7
139.07600	2.3
151.07544	2.1
163.07690	2.3
165.09155	4.4
170.02142	5.7
175.11240	1.9
177.05557	2.6
177.09225	2.8
181.08661	2.4
191.10603	2.9
193.05049	3.5
195.05042	2.5
195.06654	35.7
196.06937	2.3
205.08650	3.9
207.06706	2.4
209.08131	2.5
221.08130	4.6
222.08818	2.6
239.09247	2.6
245.15408	3.5
247.13203	1.9
261.14828	3.1
263.13751	3.3
263.16492	64.1
264.16699	8.4
265.14417	2.9
275.12881	2.7
276.13586	13.4
279.15778	2.6
287.16486	2.3
292.12863	2.1
303.15826	3.7
307.11993	2.4
307.15497	38.1
308.15884	3.5
315.19568	2.3
321.16840	4.1
331.15289	12.4
331.18936	3.5
343.19113	3.1
345.17151	2.1
345.20743	28.3
346.20920	4.3
373.19943	3.4
375.21848	11.9
391.21100	2.6
419.20438	100.0
420.20874	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	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
57.03463	3.8
58.00581	2.2
59.01382	56.7
59.05671	0.8
60.01723	1.0
61.98828	6.4
67.05551	0.8
68.33719	0.8
69.03445	0.8
69.57857	6.1
71.01389	20.0
72.98921	1.6
72.99312	21.3
73.02956	1.7
74.99121	1.2
75.00881	37.3
83.01405	2.6
83.05030	4.0
85.02962	6.0
85.24460	0.8
87.00867	1.4
87.04538	0.9
88.98828	1.8
89.02459	14.1
93.03462	1.2
95.01415	1.8
96.95994	0.9
96.96986	0.8
97.02990	0.9
98.19967	1.6
99.00868	1.2
99.04536	1.4
99.92597	2.4
101.02458	12.1
107.05024	1.1
109.02960	3.7
111.04596	1.1
113.02451	6.6
115.92072	1.8
116.92870	2.1
117.83491	0.8
119.03506	3.5
119.08720	2.0
123.04536	3.9
125.02423	1.6
125.06082	2.2
135.08154	3.1
136.99150	1.1
137.02502	2.2
137.06029	1.2
137.09740	3.8
147.03346	0.9
148.04001	1.5
149.02402	1.0
150.05603	0.9
151.04051	1.1
151.07700	1.5
153.09256	0.9
161.02475	1.5
161.04539	5.0
163.07605	1.9
169.03392	1.2
175.04082	1.1
177.09189	0.9
179.10768	1.2
181.08722	11.1
191.05624	2.8
194.12115	0.8
195.10344	1.8
199.67926	0.8
213.11353	29.6
214.11670	2.2
221.08235	1.3
223.05948	1.2
239.09267	9.9
239.12915	1.0
242.02040	1.0
255.11476	1.2
256.03708	3.0
257.10321	100.0
258.10672	8.7
258.13275	1.3
271.02457	2.2
281.09363	1.7
299.10968	4.0
303.14496	0.9
322.96222	0.9
331.12860	1.0
338.95889	1.3
359.13364	0.8
359.17151	9.4
360.17346	1.6
400.95868	0.9
401.12509	5.6
402.12857	1.3
419.10294	5.9
419.15253	22.8
419.19284	28.3
420.15274	2.1
420.19604	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	419.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63522	0.3
57.03443	1.2
58.00587	0.8
59.01376	9.3
60.99308	13.5
61.98827	1.7
63.33593	0.3
67.87737	0.4
69.03461	0.5
71.01385	4.6
71.71615	0.7
72.99317	9.7
72.99724	0.5
73.28075	0.4
75.00879	14.6
80.91693	1.1
83.01417	0.7
83.05051	1.8
85.02955	1.3
87.00911	0.7
87.04540	0.5
88.98814	100.0
89.02467	3.2
89.99154	0.9
97.02954	0.5
97.06584	0.5
99.00913	0.7
99.04543	0.8
101.02474	2.0
109.02949	0.7
111.04519	0.8
113.02451	2.0
116.92921	0.8
117.01949	0.7
117.92928	0.7
119.03499	1.1
119.08662	1.0
121.03030	0.3
121.06641	0.4
123.04531	2.1
125.06087	0.9
135.08192	1.5
137.09740	1.5
148.38142	0.3
149.09715	0.9
151.04030	0.6
151.07640	0.6
159.50386	0.3
161.02463	0.4
163.07663	0.8
167.03534	3.3
167.10828	0.5
168.03906	0.4
177.09250	0.8
179.05663	0.6
181.08728	4.6
191.05647	0.4
195.10277	1.0
197.08107	0.4
211.09793	0.6
213.11327	13.5
213.13376	0.7
214.11688	0.9
239.09232	5.1
255.12418	2.0
257.10303	45.1
258.10651	2.2
288.80450	0.3
299.11398	2.3
357.54041	0.4
359.13373	0.7
401.12625	1.0
419.10483	0.5
419.15552	12.4
419.21246	0.6
420.15863	1.3
423.42322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.156
Annotation	Lamioside
Peak:m/z	Relative Intensity
50.75813	0.9
57.03441	3.2
58.00572	0.8
59.01382	20.2
59.33488	0.7
61.98835	3.6
69.03450	1.2
69.61620	7.0
70.48070	0.7
71.01388	9.2
72.99316	22.7
75.00880	32.9
75.48106	0.8
81.03446	0.8
83.01386	1.8
83.05039	4.2
85.02975	3.0
89.02453	6.5
95.01384	0.8
95.05042	0.9
97.02947	1.5
97.06593	3.4
99.04542	1.7
99.92609	1.3
101.02447	2.9
109.02975	3.8
109.06631	0.9
113.02460	1.4
115.92107	1.7
117.01987	0.8
119.03493	1.7
119.08710	1.6
121.02934	1.2
123.04532	7.2
124.08028	0.8
125.06081	3.4
133.06561	1.1
135.04535	0.9
135.08176	3.3
137.06104	1.1
137.09753	4.2
140.77298	1.0
149.02472	1.7
149.09692	1.5
151.03996	1.8
151.07640	1.2
161.02480	1.3
163.00449	0.8
163.04037	0.8
163.07642	2.2
167.10759	0.9
177.05513	0.9
177.09201	1.1
181.08702	10.5
188.04689	1.0
191.03522	1.6
195.10275	2.8
199.07874	0.9
203.07101	1.1
205.05109	1.9
211.09717	1.4
213.11336	28.5
214.11717	2.6
223.06024	1.3
239.09178	9.6
242.02231	1.9
255.12387	11.0
257.10306	100.0
258.10651	9.3
299.11496	3.7
313.10773	1.3
329.06726	1.1
341.06540	0.9
359.13275	1.1
375.10965	1.1
401.08585	9.7
402.08945	1.1
419.09827	8.5
419.15567	30.4
420.10770	1.4
420.15430	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	417.2656
Annotation	Vibsanin S
Peak:m/z	Relative Intensity
56.74402	1.5
57.03440	11.7
59.01374	5.7
61.98828	5.6
69.03523	1.9
71.05032	2.5
84.47159	1.6
85.02970	2.5
85.06602	4.1
87.04530	7.3
98.19848	4.4
98.73220	1.5
109.06598	4.8
111.04549	7.8
125.09726	3.4
130.64496	1.7
137.09740	2.2
141.09283	2.7
149.09683	1.8
152.55348	1.8
155.10820	10.7
161.09747	1.8
179.10802	4.7
180.11568	14.2
191.10870	1.6
205.08720	12.1
208.06880	2.7
209.15443	3.5
235.09688	1.7
274.15659	2.8
277.21713	3.9
287.20175	7.7
291.15457	2.2
305.21222	100.0
306.21716	12.4
323.28125	1.7
343.29996	1.9
359.51602	2.1
399.25323	10.3
417.26474	24.7
417.34048	3.5
418.26825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2649
Annotation	Salvimirzacolide
Peak:m/z	Relative Intensity
57.03436	1.5
58.29850	0.5
59.01370	1.7
61.85799	0.5
62.93678	0.5
68.99805	1.2
70.18286	2.4
71.05029	2.3
79.05546	2.2
83.05036	1.2
85.02949	0.5
85.06599	13.6
86.06929	0.5
87.04525	33.1
88.04829	0.8
97.06663	0.7
98.19962	1.0
99.08175	1.0
99.32883	0.6
101.06071	0.5
101.70081	0.6
109.02974	0.9
111.00875	0.7
111.04531	35.1
112.04849	1.3
121.06637	2.1
123.00909	2.5
123.08195	1.5
125.02443	1.0
125.06112	1.6
126.06501	0.8
135.08134	0.8
137.06090	0.7
139.11218	0.6
141.02007	0.6
141.09222	11.0
147.08154	0.7
149.06113	0.7
149.09720	1.5
151.03987	1.1
151.07663	4.5
151.11261	2.6
155.10744	0.7
161.09714	1.2
165.05566	1.7
165.09221	2.2
165.12872	0.7
167.07158	3.8
175.11353	0.8
175.42577	0.6
179.07086	0.6
179.10789	3.4
181.05051	1.3
183.06619	0.9
189.09221	2.2
191.07144	2.2
191.10773	0.9
191.14450	1.9
191.39075	0.6
193.08665	0.8
193.12311	1.3
195.06598	1.9
200.03320	0.5
201.09200	2.1
202.10144	0.8
203.07259	0.6
203.10817	2.1
206.00978	0.5
206.04973	0.5
209.15524	2.2
217.08626	1.0
217.12305	0.7
218.13187	1.2
219.13776	1.6
219.17557	2.4
220.14581	1.1
221.08160	0.9
222.08913	1.1
229.08687	3.0
229.15981	6.4
235.09763	2.2
237.15025	0.8
245.19060	0.8
247.17014	27.2
248.10013	0.6
248.17308	2.8
249.11266	0.7
249.18411	0.8
259.13327	7.7
260.13971	2.1
261.14932	1.9
271.13367	2.1
272.13965	1.2
273.14877	3.5
274.15268	0.6
287.12897	5.1
287.20306	0.9
288.13416	0.7
289.13861	0.7
291.15997	1.4
293.17548	1.6
297.22290	0.8
301.21863	1.0
305.21213	100.0
306.21570	12.9
315.23340	4.3
329.21194	4.2
330.18335	11.5
330.21915	3.0
331.18982	2.2
331.22760	1.4
347.22580	0.7
355.26675	2.7
373.27515	20.8
374.27939	3.4
399.25443	32.0
400.25693	5.4
417.26907	30.4
418.22153	1.2
418.27341	5.6
442.83008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.265
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
55.01865	0.3
57.03181	0.2
57.03447	3.6
57.74358	0.2
59.01377	0.8
61.98809	0.3
64.12077	0.1
66.79803	0.1
67.12939	0.1
68.99815	1.5
69.03464	0.4
71.05026	8.0
71.73640	0.3
73.02952	0.2
81.03442	0.2
83.05019	0.7
85.02956	0.4
85.06598	19.7
86.06927	0.6
87.04529	5.6
94.65387	0.2
95.05028	0.8
97.02948	0.4
97.06578	0.5
99.08150	0.6
101.06112	0.2
107.05034	0.3
109.02969	0.3
109.06573	0.4
111.04535	4.9
111.08179	0.4
111.96786	0.1
113.06062	0.3
117.89972	0.2
121.06601	0.8
123.04531	1.3
123.08176	2.0
125.06116	0.8
125.09705	0.5
127.07678	1.6
130.50565	0.2
133.46799	0.2
135.04546	0.2
137.06114	1.0
137.09747	1.3
139.07681	2.0
139.11301	3.3
140.11617	0.2
141.09250	2.3
147.08231	0.3
149.09666	0.3
150.98721	0.2
151.07600	0.4
151.11278	0.1
153.09222	0.5
161.09714	0.3
162.13225	0.2
163.07674	0.4
163.11314	0.3
165.05612	0.3
165.09242	0.9
165.12833	0.3
166.06075	0.2
167.10800	0.3
167.14412	0.7
170.05803	0.3
177.09128	0.4
179.07150	2.4
179.10817	0.7
181.05037	0.2
181.08716	0.2
181.12321	0.4
184.18977	0.2
189.09193	0.3
189.12839	0.2
191.10773	0.3
191.14429	0.7
192.07928	0.6
193.08691	4.5
193.12370	0.4
193.16003	0.2
194.09216	0.2
194.71721	0.2
195.10254	2.2
205.08694	0.5
205.12318	0.5
206.09369	0.3
207.10320	2.9
207.13924	5.7
208.10754	0.3
208.14229	0.4
209.15474	34.4
210.15813	3.2
217.12389	0.3
219.10327	0.5
219.13892	0.2
221.08189	0.2
221.11844	0.4
222.08882	0.3
225.11301	0.5
226.08417	0.7
235.09770	2.1
235.13364	0.4
237.15031	0.2
238.08417	0.3
241.12341	0.2
247.13390	0.3
249.14760	0.2
259.13412	0.4
259.17087	0.3
261.14948	0.7
263.16519	0.8
267.33105	0.2
273.15137	0.2
275.13440	0.2
275.16418	0.9
277.14404	0.5
277.18011	0.3
278.15063	0.2
287.16968	0.2
287.20233	0.4
289.14346	0.5
289.18112	0.5
291.16016	1.9
292.16348	0.3
293.17566	1.0
305.14230	0.3
305.17557	2.0
305.20914	0.3
306.17963	0.3
315.16086	0.3
329.17688	0.3
329.21371	0.7
331.19247	1.0
333.17102	1.6
334.17505	0.3
347.18631	0.8
347.22330	3.1
348.18921	0.3
348.22720	0.4
349.20258	0.6
357.24533	1.1
358.24533	0.2
376.19250	0.3
399.21432	0.2
399.25623	1.6
400.25897	0.2
417.26523	100.0
418.26895	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2648
Annotation	Salvimirzacolide
Peak:m/z	Relative Intensity
57.03427	4.8
59.01368	3.7
61.98821	2.3
67.05486	1.5
70.18235	3.3
70.18661	4.2
71.05009	5.6
79.05532	3.1
81.13409	1.4
83.05042	3.1
85.06598	47.7
86.26720	1.3
87.04523	81.3
88.04880	2.3
99.08138	1.9
101.06110	3.1
105.07194	1.4
105.53606	1.4
109.02987	2.1
111.04535	43.5
121.06604	1.8
123.00906	1.7
123.04505	2.7
123.08150	2.4
125.06110	3.7
135.04506	1.4
141.09236	30.8
142.09587	1.6
147.08205	2.6
149.06073	2.5
149.09714	4.7
151.04082	2.0
151.07681	8.0
151.11366	2.4
153.09175	1.9
161.09749	1.7
165.09204	6.5
167.07146	3.3
175.07700	1.7
177.05571	1.5
177.09122	1.3
179.10851	3.5
181.05057	3.3
181.12480	1.7
189.09200	6.1
191.07091	3.7
191.10744	3.8
191.14381	5.7
195.06604	6.5
201.09212	5.0
202.09949	2.3
203.10828	7.8
205.08733	3.3
205.12384	1.5
207.06673	2.1
208.07040	3.0
209.15442	6.3
212.68967	1.4
217.08690	3.3
217.12381	2.8
218.13062	3.9
219.13940	3.4
219.17561	2.1
220.14630	2.9
229.08664	5.8
229.15990	12.1
235.09662	4.3
245.11858	2.7
246.12567	2.3
247.17015	29.4
248.17349	2.5
249.18578	2.3
257.11868	2.8
259.13367	21.6
260.13947	5.9
261.11084	1.5
261.14828	6.7
271.13361	8.0
271.16815	2.1
272.13953	2.8
273.15012	8.8
277.14651	1.9
277.18063	2.4
287.12878	18.6
287.15964	2.3
292.13153	2.0
293.17499	3.3
297.22134	3.6
301.21762	3.3
303.23117	2.0
305.21225	98.5
306.21555	10.7
312.20987	2.7
315.15970	2.8
315.23227	10.9
317.21136	1.5
320.16220	2.9
329.21191	5.5
330.18411	34.5
330.21985	6.1
331.18646	6.9
331.22791	4.8
355.26477	7.5
373.27527	70.4
374.27927	8.7
399.25421	100.0
400.25729	17.3
417.26834	91.2
418.27151	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	417.2647
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
57.03451	0.9
59.01394	2.5
61.98834	0.4
69.78917	3.0
69.98928	0.4
71.05029	0.5
74.24683	0.5
78.39141	0.4
83.05025	0.5
85.06606	0.7
87.04527	3.3
107.05077	0.5
108.02177	0.4
109.79448	0.4
111.00918	1.4
111.04545	1.8
116.10108	0.4
122.03769	1.8
123.04543	4.3
125.06120	1.3
135.04575	0.7
136.05345	0.4
137.06108	7.9
137.09723	0.9
138.06404	0.6
139.04022	2.9
139.07733	0.8
149.02467	1.8
149.06087	0.5
151.04033	0.8
155.07338	0.4
156.04335	1.1
163.07677	0.7
164.04784	0.8
165.05612	3.9
166.05069	0.9
170.37791	0.5
177.05623	0.5
179.07121	1.0
180.07886	0.4
181.05099	1.8
182.05911	0.6
189.05528	0.6
191.07129	0.4
192.07950	2.8
193.05077	0.7
193.08720	10.9
194.09494	0.9
197.08224	0.6
205.08722	1.6
206.09529	0.8
207.06671	3.5
207.10316	3.2
209.08255	0.8
217.12526	0.6
219.10281	1.0
221.11929	1.0
235.09810	2.2
235.13335	0.5
243.13843	1.1
259.13406	1.0
260.14041	1.2
261.14935	2.5
263.12778	0.6
273.14929	0.6
277.14499	5.6
278.15073	0.8
287.12924	4.9
289.14514	1.6
290.15051	0.6
291.16025	1.3
293.14026	0.5
305.13989	32.1
306.14398	3.2
310.14331	2.1
313.18127	1.0
323.80051	0.4
330.18463	1.0
331.19131	7.7
332.19519	1.3
333.17010	1.1
347.18622	1.5
348.19437	26.0
349.19955	4.8
373.24017	1.2
399.25546	0.8
417.26584	100.0
418.26877	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	417.2284
Annotation	CJ 13015
Peak:m/z	Relative Intensity
50.42980	0.4
55.01860	0.8
57.03450	7.7
59.01377	2.5
61.98831	2.1
68.99834	0.4
69.03464	0.4
69.25999	0.5
69.99911	1.6
70.00322	1.0
71.05027	12.4
72.99272	0.4
73.02947	0.5
79.05567	0.8
81.03460	0.4
83.05031	2.6
85.02972	2.3
85.06604	1.3
87.04524	4.1
91.65867	0.4
95.05036	2.5
97.06586	1.3
99.08173	26.7
100.08499	1.0
101.06097	25.4
102.06435	0.8
107.05029	3.0
109.02911	0.6
109.06597	2.3
111.04553	2.2
121.06617	2.0
123.04489	0.4
123.08183	1.3
125.02407	0.5
125.06136	2.5
125.09735	3.6
133.06627	1.5
137.06113	0.9
139.07640	0.8
139.11304	1.2
147.08162	0.8
149.06114	0.9
149.09738	1.8
150.06879	0.9
151.07700	0.8
153.09187	0.5
157.06607	0.4
159.08194	0.9
161.09779	0.4
162.06880	0.6
163.07690	2.4
163.11307	0.9
164.08450	0.6
165.05615	0.7
165.09235	5.4
167.10799	1.8
173.09688	0.8
175.07562	0.6
175.11337	0.5
177.09215	1.7
179.07014	0.4
179.10820	1.3
181.12321	2.1
187.07596	0.4
189.09279	0.6
189.12862	0.7
191.05658	0.8
191.10799	3.3
193.12328	1.2
201.12842	0.7
203.10809	2.2
205.12334	0.7
207.13954	0.5
209.08240	1.2
215.11061	0.4
215.14456	1.0
217.12358	0.7
217.15977	0.6
219.13907	1.1
221.08124	0.5
221.11821	1.0
223.13428	0.7
229.12451	0.9
231.13921	2.0
233.15474	5.0
243.13715	0.5
245.11861	0.5
245.15424	0.9
247.13367	1.3
247.17130	0.7
251.25241	0.5
259.13379	0.7
261.14987	3.9
261.17825	0.6
262.15637	1.0
270.74240	0.4
271.17059	5.6
272.17172	0.6
273.14981	3.6
274.15253	0.5
277.14450	0.9
285.18643	1.2
287.20059	1.1
289.18106	6.8
290.18494	0.7
291.15887	0.8
297.18701	0.7
303.19617	1.0
304.20471	0.6
305.14032	1.0
313.21823	0.8
327.23273	0.9
332.31299	0.5
345.24271	2.4
346.24646	0.5
348.19452	1.2
355.22827	8.6
356.23093	1.4
373.23853	100.0
374.24197	15.8
399.21844	1.4
417.22531	13.6
417.26688	2.8
418.22867	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21210	0.3
54.28377	0.3
57.03455	3.0
57.03712	0.6
58.11019	0.3
59.01376	1.3
61.93332	0.3
61.98833	1.1
71.05037	1.0
71.49630	0.3
71.64459	0.5
71.64782	0.3
72.98737	0.3
83.01414	0.7
83.05039	1.4
87.04532	1.1
95.05030	1.1
97.02962	0.6
97.06634	0.6
99.08169	2.6
101.06098	3.8
107.05047	1.5
109.02944	0.6
109.06624	0.6
111.04540	1.0
113.06090	0.3
117.97296	0.3
119.04821	0.3
121.06584	0.6
123.04537	1.0
123.08163	1.0
125.06093	3.5
125.09717	0.4
133.57207	0.3
135.04575	0.4
138.03204	1.0
139.03938	0.5
139.07698	0.5
139.11247	0.5
141.09250	0.5
149.09769	0.4
151.04031	8.5
151.11253	0.6
153.05563	0.9
163.04045	0.8
163.07654	0.7
164.04863	0.5
165.02002	0.4
165.05579	1.8
165.09213	0.5
166.02730	2.9
167.10730	0.4
176.01990	0.4
177.01997	2.3
179.03520	4.2
179.10864	0.5
180.04315	3.3
181.05014	0.5
181.12248	0.5
191.03491	4.7
191.10779	1.2
192.04282	1.7
192.05865	0.4
193.05101	2.7
194.05791	0.8
198.15927	0.4
203.10605	0.4
205.05075	0.9
205.08708	0.5
205.12424	0.5
207.06647	8.9
207.10262	0.9
208.07181	0.5
209.04579	3.8
210.05147	0.9
212.24049	0.4
217.08656	1.5
219.13873	0.4
221.08229	1.4
222.08963	6.4
223.09689	1.0
223.16994	0.4
233.15471	0.5
235.09758	76.6
236.10089	7.4
249.11322	6.5
250.11780	1.2
261.15079	0.6
265.10803	0.5
271.17044	1.4
273.15030	0.5
280.41504	0.4
289.14856	0.5
289.18094	2.2
290.14987	0.4
290.18503	0.4
291.12500	0.7
291.15982	2.0
302.15244	0.7
303.15659	0.4
305.13763	0.8
315.12430	0.6
319.15506	1.0
329.13971	0.5
330.14789	3.3
331.15244	0.8
341.21225	1.3
347.15057	0.4
348.15787	4.8
348.19745	0.6
349.16406	0.4
355.22791	1.2
359.22177	0.7
373.19293	0.6
373.23859	12.4
374.24081	1.7
399.21521	1.8
417.22794	100.0
418.23093	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	417.2285
Annotation	CJ 13015
Peak:m/z	Relative Intensity
51.80089	0.4
57.03452	6.3
59.01371	2.6
61.98839	2.4
69.03445	0.5
69.48103	1.7
69.48531	3.1
71.05029	12.0
81.03461	0.5
83.05029	2.2
85.02965	2.1
85.06598	0.9
87.04528	3.4
90.84650	0.4
95.05044	2.8
97.06594	1.9
99.08175	23.5
100.08499	0.7
101.06101	24.9
102.06448	0.8
107.05046	2.8
108.89712	0.5
109.02967	0.5
109.06596	3.3
111.04549	2.2
121.06607	2.1
123.04461	0.6
123.08183	1.9
125.02453	0.7
125.06120	2.7
125.09747	3.0
126.10212	0.5
133.06607	1.1
135.08173	0.8
135.13380	0.4
136.05344	0.6
137.06065	0.8
137.09724	0.6
139.07622	0.5
139.11327	1.0
149.09720	1.7
150.06862	1.3
151.07698	0.9
159.08142	0.6
161.06087	1.1
161.09776	0.6
163.07652	3.7
165.09196	4.2
167.10764	1.6
173.09717	1.4
175.11368	0.9
177.09192	2.1
179.10808	1.3
181.12350	1.2
182.05815	0.5
185.09761	0.7
187.11371	0.6
191.05681	0.6
191.10809	4.1
193.05046	0.8
193.08705	0.6
193.12299	0.7
203.10909	2.5
205.12360	1.1
205.71825	0.5
207.13925	0.5
209.08185	1.3
213.12971	0.5
215.14424	1.0
217.12419	0.7
217.16103	0.5
219.13864	0.8
221.11905	0.6
229.12355	1.0
231.13905	1.1
233.15480	4.6
236.10622	0.5
243.13963	1.0
245.15479	0.6
247.13359	1.0
255.14000	0.7
260.14069	1.0
261.14993	4.4
261.18607	1.4
262.15613	1.1
271.17026	6.1
272.17526	0.6
273.14938	3.7
277.14557	1.2
285.18613	1.6
287.20053	1.0
289.18097	6.4
291.15921	0.5
297.18576	0.6
303.19659	1.3
305.14020	1.1
327.23404	0.9
329.24896	0.6
331.19122	1.0
345.24390	2.0
348.19296	1.0
355.22778	8.0
356.23264	1.4
373.23871	100.0
374.24222	16.4
399.22043	0.9
417.22363	13.5
417.26691	4.0
418.22714	2.7
418.27856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2284
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
57.03440	2.3
67.53559	0.4
69.03460	1.9
69.87805	2.3
69.95373	0.4
71.01372	1.2
71.05005	1.6
76.52268	0.4
83.05011	1.3
85.06603	3.3
87.04495	0.7
95.05034	7.2
96.05366	0.8
97.02977	3.5
97.06601	4.6
98.03736	0.6
99.08167	3.7
101.06102	3.8
107.04987	0.6
108.02183	0.4
109.02922	0.5
109.06583	1.4
111.04499	1.6
121.06585	1.2
122.03717	1.1
123.04510	1.3
123.08153	0.7
125.05221	0.4
125.06112	8.0
125.09740	4.0
126.06427	0.4
127.07672	0.5
135.34918	0.4
137.02437	0.4
137.05972	0.3
137.09607	0.4
139.03981	0.9
139.07640	0.8
139.11264	0.6
141.09219	0.4
149.06067	0.5
149.09705	0.7
151.04033	1.8
151.11348	0.5
153.09160	0.7
155.10826	0.4
164.48938	0.4
165.09193	0.4
177.02013	0.5
177.09184	1.0
177.12807	0.7
178.52866	0.4
179.10811	11.4
180.11131	0.6
193.04900	0.5
193.08635	1.2
193.12392	2.6
195.10289	4.9
201.12807	0.5
205.08586	1.1
205.15889	0.6
207.10207	1.1
207.13965	0.5
208.10829	0.6
209.15524	4.9
221.08168	1.7
222.08754	0.5
223.07829	0.4
223.09776	4.1
233.11606	0.4
235.09795	4.3
236.10374	0.8
245.15372	0.6
247.16959	1.0
249.11205	0.4
263.13284	0.3
263.16437	1.3
266.51611	0.3
273.14926	0.5
289.14459	3.7
289.17697	0.6
290.14893	0.5
291.16046	8.5
292.16321	1.1
305.17368	0.4
315.15921	0.6
319.19312	0.7
333.17081	5.0
334.17157	0.6
347.22379	0.5
348.15396	0.8
373.23914	2.3
385.19958	0.4
399.21484	1.8
417.22598	100.0
418.22964	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	417.2282
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
52.05392	0.2
57.03178	0.3
57.03448	5.2
59.01382	1.3
61.98819	0.6
67.05521	0.2
68.99812	0.6
69.03466	0.3
71.01415	0.2
71.05021	0.5
79.01880	0.2
79.05547	0.5
80.15677	0.2
81.03468	0.3
82.83482	0.1
83.01385	0.2
83.05036	1.3
85.02961	1.1
85.06600	7.2
87.04523	3.0
93.03446	0.2
95.05035	1.2
97.02965	0.6
97.05974	0.3
97.06602	5.2
98.06948	0.3
99.08231	0.1
101.06070	0.3
107.05036	0.5
107.55614	0.2
109.02964	0.6
109.06600	0.6
111.04536	22.2
111.08185	0.6
112.04858	0.7
113.06118	1.0
121.02950	0.4
121.06615	0.9
123.04576	1.1
123.08183	1.2
124.01639	0.2
125.06138	1.1
127.07625	0.3
133.06525	0.2
135.04538	0.4
135.08180	0.6
137.06134	0.7
137.09767	0.9
138.03294	0.2
139.07712	0.2
141.05586	0.2
141.09247	0.4
147.08115	0.3
149.02448	0.3
149.06104	0.7
149.09766	0.9
150.06836	0.3
151.00435	0.2
151.03999	0.3
151.07550	0.3
151.11290	0.2
153.09248	2.3
160.24411	0.2
163.07657	0.5
163.11328	0.5
164.04665	0.2
165.05586	0.4
165.09248	1.8
167.10753	0.2
175.07715	0.2
175.11301	0.2
177.01863	0.2
177.05550	0.5
177.09297	0.5
179.03506	0.2
179.07144	1.5
179.10826	0.2
181.05054	0.2
187.11456	0.2
189.09258	0.2
189.12886	0.6
191.05681	0.3
191.07178	1.3
191.10844	1.0
192.07883	0.4
193.05017	0.8
193.08736	1.3
193.12302	0.2
195.06609	0.2
195.10284	1.2
203.07170	0.3
203.10747	0.3
204.07852	0.2
205.05055	0.4
205.08717	0.7
205.12357	0.7
206.05745	0.2
206.09332	0.2
207.06668	0.5
207.10313	2.0
207.13925	0.5
208.07445	0.5
209.08296	0.2
209.11913	0.3
215.10722	0.2
217.08723	0.3
217.12238	0.3
219.06682	2.8
219.10229	0.6
219.13879	0.2
220.07362	0.5
221.04579	0.9
221.08167	0.8
221.15590	0.2
223.13199	0.2
229.08629	0.3
229.32185	0.2
231.10172	0.3
233.11790	0.6
235.05981	0.2
235.09752	0.6
235.13368	0.2
236.10329	0.4
243.13936	0.2
245.15479	0.3
247.09746	3.1
247.13496	0.3
248.10226	0.2
249.07672	0.6
250.08577	0.2
256.03781	0.2
257.15421	0.3
259.13477	0.2
259.16949	0.8
261.11295	0.7
261.15027	0.2
263.09296	0.3
263.12766	0.3
263.16467	0.6
264.09961	0.3
266.50174	0.2
275.12994	0.3
275.16461	0.4
277.14374	0.2
278.11642	0.9
279.12375	0.7
287.13199	0.2
287.16528	0.4
289.10663	0.2
289.14276	0.3
291.16083	0.4
293.17569	3.4
294.17886	0.4
303.15955	0.2
305.17587	1.8
306.18094	0.2
315.19568	0.2
319.15640	0.2
319.19171	0.2
327.15924	0.3
329.17657	0.3
331.19223	1.2
332.19348	0.2
345.17093	2.1
346.17673	0.7
347.18506	0.9
357.20496	0.4
359.18652	2.2
373.19882	0.4
385.19986	0.3
387.18118	0.3
399.21802	1.7
400.21954	0.4
402.20517	0.2
417.22845	100.0
418.23190	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	417.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25809	0.2
56.20790	0.3
57.03447	1.8
59.01378	0.3
71.05022	0.3
71.17788	0.6
71.18124	0.4
72.22484	0.3
81.06624	0.3
83.05057	0.6
85.02948	0.3
87.04550	0.3
95.05047	1.1
97.02924	0.3
97.63950	0.3
99.08175	2.2
101.06083	2.2
105.48522	0.3
107.05035	0.9
108.98276	0.3
109.06644	0.6
121.06585	0.6
123.04518	1.5
123.08174	0.9
125.06100	3.7
125.09790	0.4
135.08162	0.4
137.02434	0.4
138.03232	0.4
149.09767	0.4
151.04034	6.9
151.11247	0.4
152.04358	0.4
163.07628	0.5
165.01917	0.5
165.05586	0.7
165.09222	0.5
166.02762	1.8
167.07147	0.6
177.01956	1.3
179.03532	0.8
181.12325	0.5
191.10760	0.9
194.05798	0.3
203.10751	0.5
205.12344	0.6
207.06602	0.8
207.10300	1.0
217.08690	2.9
221.08249	2.9
222.08969	7.9
223.09694	1.4
223.17038	0.8
233.15388	0.7
235.09756	100.0
236.10107	8.9
247.17026	0.4
249.11327	7.2
249.15085	0.4
250.11821	1.2
261.14957	0.3
271.17068	0.6
275.20227	1.0
289.18103	2.0
290.18362	0.4
291.12399	0.6
291.15799	0.6
302.15286	0.9
305.13977	0.5
315.12378	0.7
329.13898	0.5
330.14740	1.6
333.66663	0.3
339.37506	0.3
345.24091	0.3
348.15808	4.7
349.16245	0.4
355.22839	1.3
373.23834	11.1
374.24225	1.4
399.22067	0.3
417.22821	88.2
418.23141	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	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31190	0.1
59.01380	100.0
60.01715	0.9
61.98834	0.3
66.81822	0.1
69.47977	1.4
71.01383	0.3
83.01409	0.4
83.07331	0.1
85.02946	0.2
87.15937	0.1
89.02473	0.1
93.03469	0.1
95.01388	0.1
97.05659	0.1
101.02403	0.1
109.02958	0.4
125.02470	0.9
135.04645	0.1
137.02440	1.7
150.03236	0.9
151.00365	0.3
152.01086	0.2
161.02492	0.2
164.93098	0.1
165.00677	0.1
165.01921	0.7
167.78444	0.1
171.75296	0.1
175.04126	0.3
177.01886	0.2
201.05632	0.3
213.05675	0.2
255.06616	0.1
287.05579	1.1
288.05933	0.2
355.09778	0.1
357.13547	0.2
367.14029	0.3
373.16531	0.2
375.14670	0.4
385.12912	0.3
417.15579	0.5
417.20505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96326	0.4
57.03455	8.2
59.01364	1.0
61.98811	0.4
65.94583	0.4
69.03468	0.7
69.48602	4.4
70.97472	0.4
71.05030	13.9
72.00650	0.4
83.05044	3.2
85.02950	1.9
85.06601	0.7
87.04517	2.2
95.05040	2.7
97.02999	0.6
97.06597	1.7
99.08171	27.3
100.08487	0.8
101.06099	24.4
104.54947	0.4
105.76244	0.4
107.05051	4.3
108.02156	0.4
109.06630	2.8
109.12573	0.4
111.04568	2.5
111.05231	0.4
111.62166	0.4
113.06104	0.4
121.06606	1.8
123.04508	0.6
123.08195	3.0
124.05302	0.5
125.06119	3.7
125.09732	4.5
133.06618	1.3
135.08228	0.7
137.06084	1.0
139.07697	0.7
139.11330	0.7
147.08147	0.5
147.11778	0.5
149.06142	0.5
149.09712	1.7
150.06863	1.1
151.07727	0.7
151.11360	0.8
159.08185	0.5
161.06116	0.7
161.09741	0.7
163.07677	3.7
163.11244	0.8
164.08157	0.4
165.09239	4.2
167.10765	1.6
173.09706	1.0
175.07649	0.7
175.11351	1.0
176.08461	0.6
177.09242	2.3
177.12952	0.4
179.10805	1.6
181.12387	1.2
185.13307	0.5
187.10681	0.4
189.12856	0.9
191.10818	3.4
193.04991	0.6
193.12381	1.4
201.12744	0.6
203.10765	2.5
205.12338	0.6
207.13774	0.5
209.15660	0.5
215.14384	0.9
217.12323	0.5
219.13927	1.0
221.11940	1.1
228.11583	0.5
229.12247	0.8
229.16116	0.6
231.13918	1.1
233.15463	5.2
235.09760	1.0
235.13303	1.2
237.14934	1.1
243.13890	0.6
245.11812	0.5
245.15555	1.0
246.12491	0.6
247.13420	1.1
247.16969	1.3
255.13873	0.7
260.14197	0.6
261.14935	4.4
261.18390	0.6
262.15698	1.3
269.15564	0.5
271.17087	5.2
272.17554	0.6
273.14914	3.6
285.18579	1.2
287.20096	0.8
289.18088	7.1
289.84021	0.4
290.18341	0.6
291.16025	5.8
297.18567	0.6
303.19724	1.5
313.21780	0.6
317.14102	0.5
319.19009	1.1
327.23221	0.9
329.24902	0.7
331.19437	0.7
337.21863	0.5
339.19757	0.4
345.24368	2.5
346.24594	0.5
349.80441	0.5
352.91034	0.4
355.22821	8.5
356.23154	1.0
373.23853	100.0
374.24213	15.7
381.21353	0.4
399.21704	1.8
407.83530	0.4
417.22653	16.7
418.23254	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03461	4.4
59.01379	100.0
59.08250	0.9
60.01710	2.1
61.98833	18.4
62.17858	0.9
69.03444	1.2
70.86841	1.8
70.87188	2.3
71.01385	61.0
72.01743	0.9
72.99326	4.3
73.02953	16.6
75.00882	3.4
79.99191	0.8
81.03484	1.5
83.01395	8.1
83.05015	0.9
85.02958	26.0
87.00903	2.5
88.98833	1.4
89.02441	6.5
93.03466	2.5
95.01406	4.0
96.96022	17.5
96.96982	1.3
97.02950	1.0
99.00890	7.6
99.04549	1.1
101.02457	39.0
109.03020	2.1
111.04542	3.0
111.08160	3.3
113.02473	22.9
118.62432	0.9
119.03498	1.3
121.02954	4.4
122.03246	1.1
123.04530	2.5
125.02444	5.0
126.90422	1.6
128.03578	2.1
129.01926	1.2
135.04517	1.5
135.98355	1.1
139.00484	0.9
139.06599	2.0
139.07675	39.2
140.08009	1.6
143.03510	3.8
144.46803	0.9
149.99638	1.6
151.03943	1.3
159.03024	8.2
159.06721	1.2
160.25435	1.0
161.04573	85.1
162.04967	3.5
165.01881	1.6
165.27301	0.9
168.00682	3.0
173.04625	1.9
180.04280	2.0
191.05618	17.7
192.05960	6.2
193.05092	1.1
195.06638	4.9
195.10278	9.3
205.03578	2.8
254.05832	1.2
289.06949	1.1
309.15503	0.8
315.07162	1.1
319.13995	3.0
331.06586	1.5
354.09320	1.2
357.15567	32.4
358.15945	3.2
373.07748	2.3
401.70010	1.0
417.12485	2.4
417.17661	6.6
417.22641	1.5
418.18454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
57.03442	6.3
59.01381	15.7
61.98838	3.5
63.02404	0.8
65.00336	1.8
67.01892	0.9
67.21656	0.7
68.99835	0.9
71.01388	6.4
71.72282	1.2
71.72661	0.9
72.99316	7.4
73.02948	1.4
75.89028	0.8
81.03461	0.9
83.01401	2.1
83.05029	2.0
85.02956	2.2
87.00871	1.0
89.02475	4.1
89.02927	0.7
93.03468	1.7
95.05035	2.0
97.02979	1.7
97.06586	1.2
99.04547	1.1
101.02461	4.1
107.01369	1.4
107.05052	1.8
109.02975	5.2
109.06586	0.9
109.77617	0.7
111.04525	1.2
113.02382	1.6
119.03583	1.8
121.06619	3.6
122.03744	0.9
123.00889	1.0
123.04548	1.0
124.01678	0.9
125.02471	12.9
126.02799	0.8
131.05078	1.5
133.02995	1.6
133.06590	1.4
135.04547	1.8
135.08214	0.8
137.02461	9.7
139.04034	1.2
141.07806	0.7
143.05069	0.9
146.03757	2.1
147.04546	1.2
149.02408	1.0
149.06090	0.9
149.99602	2.2
151.00397	5.5
151.03992	2.5
151.07655	2.4
152.01134	0.9
152.04848	0.9
153.01889	1.1
155.05074	2.0
157.02988	2.4
159.04497	0.9
161.02434	1.7
161.04677	1.0
161.06003	0.8
162.03195	1.0
163.11392	1.4
164.01193	3.1
165.01923	6.2
165.12860	12.4
166.02725	8.4
166.13272	1.1
167.03464	2.0
173.06155	1.5
174.03262	1.4
175.03992	6.0
175.07623	2.2
176.04860	4.3
177.01936	5.8
177.05493	1.0
179.03506	11.0
181.05093	12.9
182.05405	0.8
185.06062	0.8
187.04039	2.6
187.07634	4.2
189.02025	1.5
189.05542	1.4
190.02753	1.5
191.03610	1.3
191.05634	2.7
191.10643	0.8
192.04250	0.7
192.05923	1.0
193.12369	5.6
195.06647	9.7
196.06915	0.9
198.03276	2.1
199.02303	1.3
199.04013	11.4
200.04546	1.2
201.01964	2.2
201.05661	0.8
201.09277	1.1
203.03526	2.7
203.07115	2.0
204.04305	2.6
205.08780	3.7
211.13402	22.0
212.13730	1.1
214.02649	0.9
215.03462	2.2
215.07095	1.3
217.01469	1.2
217.05043	1.6
217.08711	0.7
226.06262	0.8
227.07121	1.1
229.08650	2.1
232.03784	2.4
237.11342	21.6
241.01416	3.2
242.02182	3.0
243.02994	29.5
244.03345	2.1
244.07356	1.0
245.00880	2.0
247.09938	0.9
255.12381	100.0
256.12689	8.3
257.04553	1.0
257.36087	0.8
259.02481	12.1
260.03046	2.3
261.04044	10.1
267.02576	0.8
269.04382	1.2
270.01703	3.2
271.02313	1.3
281.11661	0.9
283.09543	0.9
285.04092	1.9
289.07208	1.0
297.13705	3.6
301.10712	1.0
303.04993	0.9
323.12854	1.6
339.04727	1.3
357.06250	1.5
357.11908	1.1
357.16037	1.1
367.11926	4.5
368.12427	1.0
375.07019	5.7
376.07706	0.9
385.12970	2.5
387.10953	1.6
399.14645	4.1
400.14899	1.0
402.13089	1.6
417.08298	44.5
417.16806	14.3
417.23123	0.8
418.08606	4.6
418.17584	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	417.1559
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
53.40952	0.8
57.03452	11.3
59.01379	15.0
61.98835	38.4
62.53099	0.8
67.01891	1.1
68.99854	1.0
69.03473	3.6
69.72050	6.1
71.01385	4.2
73.02953	2.5
75.00890	1.3
77.03982	1.2
81.03463	5.7
83.01394	17.0
83.05040	1.1
85.02963	2.1
88.98812	1.9
89.02475	2.9
93.03458	4.7
95.01386	2.9
95.05064	6.0
97.02959	7.2
97.06559	1.4
99.04549	2.5
101.02460	3.3
107.05045	2.4
108.29771	0.9
109.02966	14.2
111.04566	2.4
113.02457	2.3
121.02986	4.3
121.06622	1.7
122.03760	5.2
123.00910	1.3
123.04549	4.4
124.01680	2.4
125.02467	77.2
126.02813	1.9
131.05090	1.2
133.02937	1.9
135.04565	4.4
136.01622	0.9
137.02467	100.0
138.02892	3.5
139.04050	3.1
145.02968	1.1
145.06650	0.9
146.03757	12.0
147.04492	2.9
148.05273	1.0
149.02477	4.1
149.06111	2.5
150.03264	16.8
151.00369	7.6
151.04047	6.8
151.07689	1.6
152.01164	0.7
152.04753	1.4
153.01988	1.1
159.04564	4.1
160.05165	0.9
161.02515	4.8
161.06067	2.6
163.04080	1.6
163.07671	2.0
164.01172	23.2
165.01950	44.5
166.02727	17.5
167.03519	15.7
172.05328	2.9
173.06088	9.8
174.03250	9.3
174.06827	3.9
175.04037	9.5
175.07658	22.0
176.04816	23.0
176.08018	2.1
177.01929	8.3
177.05449	1.5
177.09186	1.5
179.03517	45.6
179.07083	1.5
180.03889	1.8
181.05083	24.5
182.05440	1.7
183.04480	1.1
185.06099	1.7
186.06755	1.4
187.04047	3.4
187.07671	11.9
188.04785	2.9
189.05569	3.5
189.09279	3.5
190.02771	2.0
190.06340	2.6
191.03491	1.4
191.05624	3.7
191.07130	1.5
192.05942	2.2
195.10312	2.1
197.06096	1.2
199.07629	1.1
200.04774	7.1
201.05539	6.3
201.09251	4.9
202.06384	4.0
203.03450	1.1
203.07161	19.5
204.04309	4.5
204.07591	2.6
205.08691	17.0
206.08911	1.8
211.04008	1.4
211.07687	1.7
212.04778	1.4
213.05618	2.0
213.09346	2.9
215.07259	4.2
216.07948	1.8
217.08713	9.0
218.05751	1.2
219.10268	2.8
223.07765	1.6
224.08449	1.2
225.05632	2.5
226.06337	2.6
227.03503	3.8
227.07137	2.8
229.05145	1.3
229.08705	14.2
237.09258	1.9
237.11400	3.8
239.07089	2.1
239.10880	2.6
241.08707	3.9
243.06612	1.3
244.07425	2.3
245.08269	1.2
247.09760	14.4
248.09898	1.1
251.07089	1.1
254.09390	1.9
255.03012	5.1
255.06528	1.1
255.10309	2.8
255.12511	3.0
255.15930	1.5
257.11801	1.7
259.09894	4.1
265.08713	1.1
266.09521	1.1
268.07364	2.0
269.08118	2.1
270.08859	1.6
273.11374	3.0
279.12540	4.2
281.11993	4.9
283.09735	3.4
284.03354	4.4
284.10086	0.9
285.04013	4.3
287.05630	4.3
287.12799	1.2
288.06406	1.9
297.11191	4.9
299.12918	4.8
301.10904	1.8
312.10233	1.0
313.14227	1.0
323.12897	14.9
324.13199	2.1
325.10831	1.4
341.10373	2.3
341.14029	5.9
342.14404	1.2
349.10834	1.2
355.15527	2.4
367.11850	34.5
368.12341	3.4
373.16623	1.8
385.07858	1.0
385.12930	37.7
386.13303	4.3
387.11029	4.9
399.14493	19.4
400.14792	3.2
402.13309	3.3
417.08652	3.6
417.15585	58.2
417.21469	3.5
418.09860	1.6
418.15790	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	417.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.98828	2.0
64.40507	0.8
69.03468	5.0
81.03483	1.5
83.01411	1.7
95.01407	1.8
97.02970	4.8
98.19874	1.4
107.01436	2.4
123.00909	7.5
124.01688	23.8
125.02468	100.0
126.02814	3.3
137.02478	1.7
149.99608	44.2
151.00262	3.0
165.01923	0.8
167.03505	2.3
168.00665	98.5
169.01413	11.4
191.05663	10.7
192.05960	7.2
227.25194	0.8
229.53371	0.9
244.16542	1.0
313.05643	5.7
331.06714	75.5
332.07007	6.7
354.09244	2.0
355.06528	5.2
373.07773	83.5
374.08191	8.3
399.05780	1.2
417.06659	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	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26869	1.0
53.97980	1.1
57.03444	2.1
59.01370	5.6
60.99299	5.2
61.98826	1.9
67.34245	1.1
70.93733	1.0
71.28968	1.8
75.53935	0.9
77.01449	0.9
81.79751	1.1
83.05062	1.2
85.06588	1.6
87.04511	1.8
88.98814	28.3
89.35760	1.0
97.06559	1.0
99.00899	1.9
111.04533	9.1
114.82359	1.1
122.30528	1.0
125.06101	4.4
153.09114	1.4
177.01920	3.0
192.71072	1.2
195.06435	1.3
208.07365	2.7
230.02261	1.8
236.06865	1.7
243.03053	2.0
244.03745	2.2
246.82292	1.0
247.09824	1.3
247.71510	1.0
256.03745	1.3
258.01678	5.1
261.11234	1.1
263.07272	2.2
271.02383	2.6
272.03186	2.9
283.02505	21.9
284.02933	2.5
305.17355	1.2
327.08746	100.0
328.08994	12.1
331.19040	1.8
399.17783	1.6
400.95087	1.6
416.98212	6.5
417.07886	1.4
417.22964	38.9
418.22983	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	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62391	0.3
59.01385	0.8
61.98835	12.1
69.89511	0.7
69.89928	1.7
71.01408	0.5
77.35909	0.3
85.02959	5.5
87.00894	1.3
92.34541	0.3
93.03480	1.9
97.94511	0.3
100.89548	0.3
109.02946	0.5
111.04550	0.8
112.62835	0.4
127.04018	1.2
133.02951	0.6
134.03786	0.8
135.04497	0.6
161.02446	1.5
171.03011	0.5
173.04567	0.8
179.03522	0.9
183.40852	0.3
191.05629	100.0
192.06003	5.0
194.05405	0.6
196.21191	0.3
200.62271	0.3
353.08771	10.5
354.09073	1.4
391.21860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2496
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
50.94833	0.6
53.51642	0.6
57.03434	1.8
59.01369	0.8
59.44704	0.6
61.98833	0.6
62.58540	0.6
69.45135	1.1
69.45551	5.3
71.05037	0.9
77.00716	0.8
79.05566	0.6
83.05053	0.9
84.53910	0.6
85.02941	0.5
97.02951	5.9
99.08180	0.8
107.05014	0.6
109.06663	0.7
111.04539	1.4
121.06651	1.7
123.00992	0.6
125.06097	7.1
133.06622	1.7
136.11061	0.6
149.06119	1.5
151.00238	0.5
151.04021	1.0
151.11310	0.6
153.05583	1.1
163.04054	0.8
165.05695	0.6
165.09277	0.9
177.05568	6.5
179.03641	0.8
179.07214	1.2
180.04361	1.0
181.05087	1.6
189.09209	1.5
191.05623	1.4
191.07199	1.2
192.07831	0.7
193.05087	2.0
193.08675	1.0
194.05867	3.8
195.06604	1.0
205.05067	1.2
205.08655	3.6
207.06647	7.6
207.10336	0.7
208.07465	6.0
209.08206	0.8
215.07262	0.9
219.06641	6.3
219.10207	1.1
220.07402	3.8
221.08197	3.3
221.12242	0.6
222.08995	1.5
222.79904	0.7
227.09074	0.6
231.13882	1.1
233.08183	57.8
234.08524	5.4
235.09839	1.8
245.11873	0.7
249.14848	1.1
251.12938	0.7
261.11383	2.9
261.14813	0.6
262.11868	1.0
275.12784	3.1
276.13641	1.2
288.29929	0.7
289.14572	4.0
303.15945	3.2
304.16714	1.0
319.19186	1.2
331.15518	0.9
346.17941	1.5
371.26105	1.5
415.25125	100.0
416.25473	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2493
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.79070	0.5
57.03415	1.5
59.01354	1.2
60.33570	0.5
61.98806	0.9
68.99787	0.7
69.61141	0.5
71.01366	0.6
71.72404	0.9
79.01892	0.7
85.02946	0.8
90.71545	0.4
95.01386	0.9
95.05009	0.6
99.08179	0.6
109.06617	0.5
110.00096	1.2
111.04530	1.2
121.06612	1.3
123.00902	4.0
123.04529	0.8
123.08144	1.6
125.02431	1.3
125.06097	6.4
127.07698	0.6
129.07098	0.8
135.08173	0.6
137.02449	2.2
137.99588	1.9
149.02449	0.9
151.00401	1.3
151.04015	1.6
152.04778	0.7
152.30864	0.5
156.13725	0.6
162.78232	0.5
164.04803	0.5
165.05557	1.9
166.06258	1.0
170.29803	0.5
172.06827	0.5
173.06122	0.6
176.04758	0.6
177.12804	0.6
179.03563	0.6
179.07169	6.8
184.03798	0.9
189.12872	1.0
191.05602	2.4
191.07159	14.6
192.07855	1.2
193.08720	1.3
194.05855	1.1
198.05351	1.2
205.08702	0.8
207.06639	72.3
208.07181	5.7
212.06931	2.1
217.12379	2.0
219.06633	0.6
221.08188	5.0
221.15408	0.5
238.08449	2.1
238.56725	0.5
245.11983	0.6
247.13466	0.7
261.11365	0.9
261.14975	4.2
262.15585	0.5
263.12875	0.8
275.12875	0.5
279.26913	6.1
280.27252	1.0
286.95490	0.6
289.10910	4.3
289.14108	1.0
290.11078	0.7
303.16089	1.0
315.16058	1.3
323.25861	3.0
330.18481	0.8
331.15552	1.1
331.19174	2.3
333.17099	2.4
341.26965	6.5
346.17841	1.6
353.08823	1.1
372.18338	0.6
415.25070	100.0
415.29279	5.1
416.21463	1.0
416.25473	17.2
416.30658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2489
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.97575	0.7
57.03431	1.8
58.37455	0.6
59.01362	2.3
60.41224	0.7
61.98793	0.7
64.61536	0.6
65.09633	0.6
67.45614	0.7
70.48655	2.9
73.10993	0.6
73.56784	0.6
73.95822	0.6
82.84433	0.7
85.79534	0.7
87.04501	1.2
88.78996	0.6
95.05013	1.3
97.02980	2.1
99.08191	1.3
109.06588	1.4
111.04534	0.9
113.97311	0.6
123.00912	2.3
123.04510	0.8
125.02444	1.0
125.06087	2.2
135.08176	1.0
137.05960	0.6
137.09731	1.2
139.07687	0.6
147.69238	0.6
149.02481	0.9
149.06097	0.9
151.00389	1.0
151.04031	9.1
153.09106	0.9
163.03983	0.9
163.07690	1.0
165.05579	1.7
165.09259	0.8
177.01918	1.4
177.09265	1.2
179.03542	1.5
179.07159	4.2
180.04265	2.4
180.07944	1.0
189.05600	1.4
191.05595	1.8
191.07193	3.0
193.08684	1.8
194.05869	2.8
207.06639	100.0
208.07336	22.0
209.07964	1.5
212.06958	1.2
219.06673	3.6
219.10242	0.8
221.08244	3.5
223.13445	1.3
233.08141	1.1
247.09796	1.1
262.88266	0.7
275.12848	1.5
289.14609	0.9
331.15536	0.9
331.19122	8.4
341.52383	0.7
346.17776	3.9
415.24979	93.9
416.20700	0.9
416.25372	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	415.2494
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.92419	0.5
57.03445	0.7
59.01365	1.1
60.34657	0.5
60.58577	0.5
69.56702	4.5
71.05014	0.7
87.04506	0.8
97.02963	3.4
99.08173	0.7
107.47745	0.5
107.70341	0.6
109.06580	0.8
111.04523	0.9
119.22236	0.6
122.03664	0.7
123.04532	0.6
124.05342	1.0
125.06090	1.7
125.09749	1.6
135.99908	0.5
137.06076	1.6
138.03246	1.0
139.07687	1.0
149.06102	0.6
151.04025	7.2
163.04005	1.1
163.07605	0.8
165.05585	0.9
179.07129	1.2
180.04239	1.5
189.05580	1.4
191.05614	1.1
193.05054	2.2
193.08749	1.8
194.05815	2.6
202.93213	0.5
205.05000	1.6
205.08656	1.1
207.06648	53.2
208.07327	12.7
219.06633	12.4
220.07112	0.7
221.08176	6.4
221.15570	0.6
230.95514	0.5
247.09685	0.6
262.15750	1.1
263.09372	0.7
271.39307	0.6
273.11139	0.7
275.12964	1.5
279.23306	2.5
289.14365	2.5
290.15146	2.2
303.12579	1.1
345.16751	0.7
346.17874	2.9
359.22296	1.1
415.24881	100.0
416.25287	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2494
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
57.03435	0.9
59.01362	0.9
61.98823	0.4
68.99808	0.4
71.73460	0.5
78.04587	0.4
79.01916	0.5
81.30962	0.3
84.56871	0.3
87.04504	0.3
89.39283	0.3
93.07091	0.3
97.02974	2.1
107.05030	0.7
109.06628	0.5
110.00078	0.5
111.04479	0.4
121.06621	0.7
123.00928	1.6
123.04556	1.2
123.08168	0.9
125.02483	1.0
125.06123	2.6
129.07098	0.7
137.02422	0.7
137.99547	0.6
139.07661	0.4
141.91278	0.3
151.00430	0.9
151.02858	0.5
151.04036	7.2
151.07559	0.3
152.04634	0.4
163.07646	0.6
165.05582	1.7
176.04767	0.4
177.01910	1.1
177.05646	0.5
177.12817	0.4
179.03542	0.8
179.07129	4.0
180.04276	1.8
189.05550	1.2
189.12833	0.4
191.05594	1.1
191.07149	8.2
192.07616	0.6
193.05058	1.5
193.08685	0.7
193.16019	0.4
194.05869	2.6
195.06490	0.5
198.05305	0.6
207.06633	100.0
208.07346	20.6
209.07782	1.0
212.06920	1.1
217.12392	0.8
219.06650	2.4
220.07260	0.4
221.08180	4.2
221.15404	0.5
222.08519	0.4
228.81998	0.4
233.08203	0.6
237.07712	0.6
238.08510	1.4
261.14984	0.3
262.15836	0.4
273.11389	0.5
275.12695	0.6
289.10834	2.0
289.14151	0.6
329.17661	0.4
330.18588	0.5
331.15466	0.6
331.19098	1.2
345.17123	0.7
346.17877	4.0
347.18423	0.3
357.24692	0.4
415.24936	97.3
416.25299	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2492
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
51.20062	0.3
57.03446	1.6
59.01367	1.3
59.63127	0.2
63.38952	0.3
66.20742	0.3
69.03458	1.7
69.55523	2.4
71.01387	0.7
71.05025	1.9
73.02941	1.2
76.20146	0.3
81.03463	0.6
83.05036	0.8
85.06581	0.5
90.86816	0.3
97.02949	1.2
99.04531	2.2
107.83017	0.3
109.06641	0.3
111.04509	0.4
111.08195	3.3
121.06611	2.0
123.04578	1.5
123.08157	0.4
125.06099	1.3
135.04539	2.7
135.08197	0.6
136.05339	1.4
137.06142	2.4
137.09750	19.0
138.10071	0.6
139.07698	0.6
144.10945	0.3
151.11371	0.6
165.12878	0.6
167.10742	0.7
175.11299	0.9
177.09230	0.9
177.12788	0.6
179.07097	0.6
193.08760	0.7
193.12387	2.0
205.12326	1.0
207.06618	1.3
217.12376	0.7
219.13919	0.3
221.11806	1.3
221.15488	1.3
247.13429	0.6
257.15518	0.9
259.17010	1.1
263.09525	0.6
275.16513	3.1
276.16693	0.3
277.18082	1.7
278.18478	0.3
289.10892	0.3
315.23120	2.1
317.21219	1.3
326.63025	0.3
343.19302	0.4
344.38065	0.3
359.22263	2.2
360.22693	0.4
371.25934	1.3
372.26358	0.4
397.23904	1.3
415.24939	100.0
416.25284	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	415.249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78916	0.3
69.75169	0.6
69.75626	1.9
73.42464	0.3
97.02928	1.6
107.05072	0.3
109.06583	0.4
121.06638	0.3
123.04528	0.5
126.65966	0.3
138.03285	0.8
151.04050	3.2
166.02736	0.7
175.11446	0.3
177.01947	0.6
177.05598	1.2
179.03545	0.4
179.07161	0.5
189.05684	0.7
191.03474	0.4
192.04398	0.5
192.07971	2.9
193.05069	1.4
194.05859	11.4
195.06488	1.2
205.05064	4.5
207.06642	42.8
208.07240	4.8
217.12552	0.3
219.06630	8.2
219.10135	0.4
220.07408	12.9
221.08022	1.5
231.13959	0.9
233.08202	3.1
234.08414	0.5
245.08145	0.8
245.15349	0.5
247.16988	0.7
261.11368	0.7
275.12875	12.9
276.13535	1.7
287.12952	0.4
288.13489	0.3
289.14426	8.4
290.14911	0.8
303.12384	0.7
303.16074	0.8
303.19470	0.3
314.13699	0.3
331.15485	1.1
345.17068	0.8
346.17880	11.6
347.18204	1.9
359.22421	0.5
371.25894	4.6
372.26413	0.8
415.24915	100.0
416.25250	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82809	0.4
55.88211	0.5
57.03439	1.8
71.72139	0.7
79.08239	0.3
87.03772	0.4
97.02960	3.7
109.06573	0.8
121.06628	2.3
123.04527	1.4
134.53864	0.3
136.03860	0.4
137.06073	0.4
141.99432	0.3
151.04034	3.7
163.07658	1.4
165.05586	8.7
175.07585	0.5
177.09241	5.3
180.04292	1.0
189.05544	0.5
191.03545	1.4
193.05090	3.0
193.12279	0.8
194.05817	1.2
195.06535	0.7
203.07155	1.1
207.06638	37.3
208.07344	8.1
209.07715	0.5
219.06677	0.5
221.08200	82.8
222.08524	5.3
231.13950	1.1
233.15439	2.2
245.15446	0.7
261.11270	0.7
275.12927	4.9
276.13696	1.0
289.14413	4.5
289.91037	0.4
290.14868	0.7
301.21707	0.5
303.15942	0.8
308.12610	0.6
313.14413	0.8
342.21402	0.4
346.17801	3.0
415.24905	100.0
416.25235	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75915	0.3
57.03442	1.0
65.00301	0.4
65.03964	0.3
67.01888	0.4
69.03419	0.2
69.64658	2.0
69.65054	0.5
71.01380	0.3
73.16443	0.2
79.05536	0.4
83.05042	0.4
85.06586	1.5
87.04513	0.3
95.05023	0.4
97.02950	0.6
106.04159	0.2
107.05034	0.6
107.08646	0.2
108.02196	0.3
109.06605	12.7
110.06905	0.4
111.04536	7.0
111.08167	0.9
113.96011	0.2
121.02960	0.3
122.03705	0.5
123.04460	0.4
123.08177	0.7
125.09736	0.6
133.06552	0.3
134.07422	0.3
135.04588	0.3
135.08188	1.2
137.02477	0.3
137.09692	0.3
149.06114	0.7
150.03253	0.4
150.06874	0.4
151.04013	0.9
163.07704	0.7
165.46991	0.2
175.07674	0.3
175.11301	1.2
177.01926	0.3
177.09314	1.5
177.12859	7.0
178.13239	0.4
179.07202	0.3
187.07762	0.3
190.02637	0.3
191.07109	0.3
193.05063	0.7
193.12383	0.5
194.05869	0.4
195.13956	0.5
199.07545	0.3
203.03532	0.3
203.07112	0.3
203.14420	0.8
205.05008	1.0
205.08748	0.5
207.06639	9.6
208.07343	3.0
219.06673	1.8
219.10283	1.9
219.13858	0.6
220.07349	0.5
221.08197	1.7
221.11827	0.3
221.15547	0.7
227.10916	0.4
231.06584	0.8
231.13809	0.3
233.08214	1.3
243.13971	1.2
245.08223	1.2
245.15506	1.9
261.11349	0.3
261.15002	0.5
271.13425	1.1
273.11295	0.4
275.12860	3.4
279.23416	0.5
283.20551	0.3
285.11450	0.7
287.16534	0.5
289.14441	16.5
290.14783	1.6
301.18118	0.9
301.21558	0.4
302.18805	0.6
345.20749	0.6
353.24832	0.9
371.26111	1.2
372.26205	0.4
397.23941	0.8
398.23843	0.3
415.24911	100.0
416.25250	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	415.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
62.49311	0.5
69.67176	3.7
71.05010	0.8
73.53239	0.5
97.02969	3.3
97.06621	0.6
107.05037	0.6
109.02930	0.6
109.06635	0.6
112.40013	0.5
122.02582	0.4
123.04536	1.4
125.10063	0.4
138.03214	0.6
151.04025	10.3
163.07658	1.2
165.05530	0.6
166.02774	0.9
167.73949	0.4
177.01886	1.1
177.09308	0.5
179.03438	0.9
179.07147	1.1
180.04253	1.0
189.05583	1.4
193.05069	1.1
193.12341	0.7
194.05806	3.1
195.06476	0.6
199.14859	0.4
207.06630	98.6
208.07275	12.8
209.07785	0.6
219.06673	3.9
220.06985	0.7
221.08182	4.0
233.08131	1.6
233.15207	0.6
240.06537	0.6
260.75140	0.4
273.11316	0.9
275.12729	0.6
289.14499	1.0
313.14288	0.6
328.16675	0.6
331.15704	0.5
345.17169	0.8
346.17923	2.0
347.18411	0.5
376.16324	0.4
389.47906	0.5
415.24896	100.0
416.25220	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	415.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61537	0.4
57.03452	4.0
69.37599	2.4
69.38033	2.1
71.05029	0.6
71.50011	0.4
80.08825	0.3
87.76285	0.3
97.01770	0.4
97.02956	2.6
109.06625	1.1
111.04520	0.5
130.81848	0.4
135.08125	0.7
137.02446	0.6
138.03259	0.5
151.04051	0.9
165.01941	0.9
165.05615	2.2
166.02724	1.4
174.77448	0.5
179.03604	0.5
179.07236	0.4
189.05484	0.5
189.12917	0.7
191.07275	0.5
192.07922	0.6
193.01414	0.6
193.05074	8.3
193.12370	0.4
194.05844	15.7
195.06613	4.1
195.13947	0.7
205.04941	0.5
207.06635	16.2
208.07245	3.0
210.05341	0.9
219.06642	9.5
219.10205	0.5
220.07288	1.6
223.06204	2.3
226.04961	0.4
233.08237	0.8
233.11853	1.6
234.12595	0.5
235.06117	14.6
235.09808	1.4
236.06526	1.4
243.14014	0.5
245.08173	1.2
245.15483	1.8
246.08765	0.5
263.09369	0.8
275.12848	1.0
276.13596	0.8
278.11600	37.4
279.11942	4.0
289.14462	36.8
290.14832	4.2
301.21805	1.1
303.12418	3.2
303.15921	1.1
313.11124	0.3
313.14413	9.2
314.14929	0.7
327.15988	1.0
328.16806	2.3
346.17899	2.7
397.23746	0.8
415.24899	100.0
416.25247	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	415.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14098	0.3
60.43609	0.3
62.88832	0.3
64.45110	0.3
65.96486	0.3
69.55080	2.0
69.55505	0.8
71.05043	0.3
74.71574	0.3
75.43730	0.3
97.02955	1.7
107.05029	0.4
123.04501	1.2
151.04025	5.4
152.04704	0.4
163.07538	0.3
164.10020	0.3
165.05602	0.6
166.02765	0.4
177.01981	0.8
179.03465	0.4
179.07092	1.1
180.04274	1.0
189.05566	0.5
193.05086	1.0
194.05826	1.3
195.06609	0.6
207.06635	46.8
208.07370	12.8
209.07768	0.5
219.06653	2.0
221.08211	3.0
221.15468	0.4
233.08199	0.6
273.11237	0.5
282.20377	0.3
329.17404	0.3
345.17059	0.5
346.17719	1.0
347.18130	0.4
371.25659	0.3
415.24896	100.0
416.25229	16.9
416.29608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2493
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
55.01899	0.3
57.03426	0.7
58.25674	0.3
59.01368	0.9
68.43494	0.3
70.75417	1.0
71.05051	0.4
87.04549	0.5
97.02963	3.0
103.68815	0.3
107.05034	0.9
109.06590	1.2
111.04527	0.8
121.06612	1.1
123.04525	1.4
146.42784	0.3
151.04037	10.4
163.03983	1.0
163.07657	0.7
165.05618	2.5
166.02721	0.4
177.01965	1.8
177.05637	0.7
177.09264	1.6
179.07175	1.5
180.04352	1.7
189.05620	1.3
191.05603	0.8
192.07896	0.8
193.05098	0.8
194.05846	5.0
195.06488	0.6
201.05495	0.5
205.05078	1.2
207.06641	90.2
208.07347	16.5
209.07845	1.1
211.11362	0.5
218.82420	0.4
219.06639	13.9
219.09950	0.6
220.07201	1.8
221.08200	13.6
222.08527	0.6
233.08212	4.4
234.08569	0.4
235.09718	0.6
247.09926	0.4
263.09250	1.0
263.12921	0.5
273.11356	3.5
275.12848	1.8
279.26895	3.3
280.27371	0.4
285.18677	0.4
289.14487	1.8
303.12534	0.7
303.15915	0.6
317.14069	0.8
323.25864	1.7
324.26474	0.3
329.17670	1.5
331.15677	1.8
341.26843	3.9
342.27176	0.5
345.17169	1.4
346.17798	3.6
347.18253	0.6
415.24957	100.0
416.25287	17.3
416.29742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54100	0.3
54.36824	0.3
55.28228	0.3
57.03439	0.7
59.01369	0.6
69.67362	2.9
71.05031	0.5
79.01910	0.5
95.05005	0.3
97.02965	5.4
98.19934	0.7
109.02978	0.7
109.06578	0.5
111.04491	0.4
118.26389	0.3
119.05025	0.4
121.03042	0.4
121.06632	0.6
123.04549	0.7
125.06120	0.8
125.09695	0.3
135.04546	0.5
135.74915	0.4
137.02452	1.0
138.03224	0.4
145.02954	0.5
149.02498	0.4
151.04039	2.2
163.04025	4.9
163.07657	0.5
164.04706	0.7
165.01898	0.4
165.05603	1.3
166.02739	0.5
175.07649	0.7
177.01949	0.6
177.05583	1.5
177.09218	1.0
177.36478	0.3
178.06303	0.9
179.03467	1.3
179.07188	0.9
181.05104	0.6
189.01935	1.2
191.03548	2.4
191.05554	0.6
191.07153	3.7
192.04266	0.7
192.07924	2.2
193.05077	4.6
194.05858	3.1
195.06583	0.3
201.05605	1.0
203.07161	0.6
205.05096	7.1
206.05768	1.3
207.06648	18.3
208.07213	1.9
209.08189	0.5
219.06645	62.4
220.07103	6.3
221.08211	7.5
222.08673	0.5
226.04971	0.4
231.10208	0.4
233.08133	0.7
234.09161	0.4
235.06142	0.7
238.04654	0.5
245.08131	0.4
245.15675	0.4
252.06265	0.5
259.09766	1.1
263.09238	5.9
264.09323	0.5
273.11407	0.9
275.12939	1.0
277.10870	0.5
289.14404	1.7
303.12567	0.7
317.14011	0.7
328.16876	0.4
329.17581	3.5
330.17886	0.4
331.15701	1.6
331.19070	0.4
345.17093	1.3
346.17896	2.9
351.37442	0.4
378.16895	0.9
415.24927	100.0
416.25262	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45028	1.1
55.01877	9.1
57.03447	8.0
58.00580	3.1
59.01379	64.0
61.98827	5.2
65.85555	0.9
69.03442	1.6
71.00649	2.5
71.01385	100.0
72.01717	2.1
72.99297	4.3
73.02950	31.4
75.00876	2.3
83.01391	17.7
83.66302	0.9
83.83005	1.0
85.02958	48.3
86.03298	1.1
87.00895	6.6
89.02456	23.8
92.31876	1.0
95.01400	9.0
97.02944	2.7
99.00892	13.6
101.02455	81.9
102.02769	2.2
107.01379	1.1
110.50239	1.0
111.00861	1.7
111.08088	1.0
113.02466	40.9
114.02810	1.7
119.03509	7.1
125.02478	6.1
129.01953	2.5
143.03545	6.4
150.67651	0.9
150.97885	1.2
151.00418	5.1
159.03009	10.1
161.04582	65.3
162.04829	2.8
179.05620	2.2
189.92960	0.9
191.05606	10.4
205.03506	2.0
209.11737	2.8
227.03548	1.2
243.03075	1.1
253.10635	2.0
253.18114	1.2
267.06482	1.9
269.16840	1.0
295.05991	2.0
341.19644	5.1
353.19693	57.2
354.20087	7.4
371.15421	2.1
371.20721	16.7
372.21021	2.0
385.18732	8.5
386.18884	1.6
397.18704	5.3
414.25266	1.0
415.10678	1.7
415.15128	2.2
415.19568	47.0
416.19971	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	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08148	0.6
50.50383	0.7
57.03445	11.7
58.00590	1.2
59.01084	1.5
59.01377	26.0
61.98820	2.8
69.46816	0.7
71.01385	16.9
71.05022	0.8
71.20703	1.4
72.99312	47.2
73.02940	1.1
73.99650	0.8
75.00880	1.3
78.44533	0.6
79.05559	0.9
81.03472	0.9
83.01372	1.4
83.05037	3.1
85.02972	3.8
87.00880	1.8
89.02453	13.9
92.26389	0.8
93.03468	1.1
95.01407	1.6
97.02949	1.3
99.04551	1.4
101.02444	8.1
107.05053	2.1
109.02997	1.2
113.02471	6.2
119.03487	4.2
121.06608	20.6
122.06967	1.5
123.04506	1.1
125.02457	3.1
125.06081	0.8
133.06613	6.4
135.04526	1.0
138.65741	0.7
145.38176	0.7
147.08171	1.2
147.11835	4.8
157.05486	1.0
157.06590	5.8
158.07153	0.8
159.04521	1.1
159.08276	0.8
161.04590	2.0
161.05981	0.8
161.09717	6.5
162.20088	0.7
163.11310	10.5
167.03481	1.2
171.08192	1.3
173.04723	0.8
173.09726	23.5
174.03207	1.8
174.10121	2.1
175.07626	1.7
177.05614	0.8
179.05664	0.9
189.09247	1.5
191.05623	7.8
191.07179	1.1
191.10794	10.4
192.11159	1.1
193.08693	2.5
197.07733	0.7
207.10345	1.7
209.11841	100.0
210.12152	7.4
214.35263	0.8
217.08740	2.5
217.14420	1.0
235.09758	16.8
236.10098	1.7
247.06087	1.9
251.12758	1.5
253.10806	91.2
254.11134	8.3
288.80759	0.8
295.11859	3.9
355.14011	0.9
371.17020	3.3
371.20999	1.8
415.16028	20.9
415.21124	1.0
415.24194	2.3
416.16379	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	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63842	0.8
57.03445	11.5
58.00584	1.1
59.01084	1.5
59.01378	24.4
60.02732	0.7
61.98817	0.7
71.01386	13.6
71.05019	1.5
72.99313	54.2
73.02944	1.1
75.00883	1.3
77.03957	2.4
79.01903	1.4
79.05505	0.8
83.05027	2.6
85.02955	3.6
87.00879	1.1
89.02454	13.3
93.03466	1.4
93.30517	0.8
95.05051	0.9
98.19879	1.1
99.04521	2.5
101.02462	7.1
107.05055	2.1
109.06644	0.8
113.02467	5.2
114.32542	0.7
119.03550	3.2
119.05058	1.5
120.05837	1.5
120.99670	1.5
121.02966	2.5
121.06615	23.4
122.06971	1.0
125.02470	3.0
125.06071	0.9
133.06628	5.9
135.08110	0.8
143.05038	1.6
145.02930	1.3
147.08183	1.7
147.11787	4.7
148.12119	0.7
149.02484	1.9
151.00383	0.7
151.07675	1.5
157.06606	7.5
161.02444	0.8
161.09764	7.3
163.11327	11.2
164.11667	1.2
167.03491	2.6
168.03871	1.3
169.03989	1.2
171.08177	1.7
173.09735	30.4
174.10048	2.0
175.07639	2.2
179.05640	1.1
189.09193	1.7
191.05640	3.0
191.10805	12.4
193.08717	5.1
195.08159	0.9
199.07657	1.1
209.11838	100.0
210.12186	6.8
217.08633	3.4
223.07632	1.3
235.09766	23.5
236.10077	1.4
251.12978	1.1
253.10803	98.4
254.11169	7.6
267.06604	23.3
268.06976	3.1
277.04959	1.1
280.58368	0.8
295.06137	30.7
295.11209	3.7
296.06595	3.7
307.06058	1.2
355.13873	2.0
415.10309	22.4
415.16037	23.6
415.22382	1.3
415.23523	1.1
416.10754	2.8
416.16403	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	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08148	0.6
50.50383	0.7
57.03445	11.7
58.00590	1.2
59.01084	1.5
59.01377	26.0
61.98820	2.8
69.46816	0.7
71.01385	16.9
71.05022	0.8
71.20703	1.4
72.99312	47.2
73.02940	1.1
73.99650	0.8
75.00880	1.3
78.44533	0.6
79.05559	0.9
81.03472	0.9
83.01372	1.4
83.05037	3.1
85.02972	3.8
87.00880	1.8
89.02453	13.9
92.26389	0.8
93.03468	1.1
95.01407	1.6
97.02949	1.3
99.04551	1.4
101.02444	8.1
107.05053	2.1
109.02997	1.2
113.02471	6.2
119.03487	4.2
121.06608	20.6
122.06967	1.5
123.04506	1.1
125.02457	3.1
125.06081	0.8
133.06613	6.4
135.04526	1.0
138.65741	0.7
145.38176	0.7
147.08171	1.2
147.11835	4.8
157.05486	1.0
157.06590	5.8
158.07153	0.8
159.04521	1.1
159.08276	0.8
161.04590	2.0
161.05981	0.8
161.09717	6.5
162.20088	0.7
163.11310	10.5
167.03481	1.2
171.08192	1.3
173.04723	0.8
173.09726	23.5
174.03207	1.8
174.10121	2.1
175.07626	1.7
177.05614	0.8
179.05664	0.9
189.09247	1.5
191.05623	7.8
191.07179	1.1
191.10794	10.4
192.11159	1.1
193.08693	2.5
197.07733	0.7
207.10345	1.7
209.11841	100.0
210.12152	7.4
214.35263	0.8
217.08740	2.5
217.14420	1.0
235.09758	16.8
236.10098	1.7
247.06087	1.9
251.12758	1.5
253.10806	91.2
254.11134	8.3
288.80759	0.8
295.11859	3.9
355.14011	0.9
371.17020	3.3
371.20999	1.8
415.16028	20.9
415.21124	1.0
415.24194	2.3
416.16379	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	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.99826	0.2
57.03449	1.4
58.00596	4.0
59.01380	86.8
60.01712	1.0
60.99323	0.2
61.98836	2.0
69.03460	0.7
71.01387	69.2
72.01722	1.3
72.99313	6.1
73.02956	5.2
75.00883	0.6
76.92532	0.2
81.03483	0.2
83.01393	3.8
85.02959	12.0
85.14839	0.2
85.44928	0.2
86.03307	0.3
87.00895	2.7
89.02454	100.0
90.02784	1.9
93.03464	0.4
95.01396	2.6
97.02968	0.8
98.20640	0.6
99.00892	5.6
99.04537	0.2
100.01214	0.2
101.02457	39.0
102.02796	1.1
109.02991	0.3
111.00921	0.5
113.02467	19.2
114.02803	0.6
115.03991	0.2
119.03521	14.9
120.03855	0.3
121.02947	0.7
123.04509	0.7
125.02459	2.8
127.04084	0.3
129.01968	2.4
129.87518	0.2
131.03520	60.6
132.03853	1.8
143.03511	3.6
149.04576	31.0
150.04913	1.0
161.04587	3.5
165.09210	1.9
173.04576	1.0
173.05864	0.2
179.05634	8.6
180.05873	0.5
191.05626	38.0
192.05962	1.7
193.04997	0.3
193.08710	1.8
198.10719	0.2
208.05298	0.4
209.06032	0.4
209.08125	0.5
221.06549	0.5
231.08417	0.2
245.04602	1.4
251.07764	0.8
283.11832	0.7
302.47650	0.2
304.04306	0.3
311.09799	0.3
353.08710	0.4
371.13324	0.3
375.87357	0.2
377.08887	0.3
415.12180	0.5
415.16379	3.4
415.21402	0.3
416.16446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	1.4
56.99826	0.2
57.03449	1.4
58.00596	4.0
59.01380	86.8
60.01712	1.0
60.99323	0.2
61.98836	2.0
69.03460	0.7
71.01387	69.2
72.01722	1.3
72.99313	6.1
73.02956	5.2
75.00883	0.6
76.92532	0.2
81.03483	0.2
83.01393	3.8
85.02959	12.0
85.14839	0.2
85.44928	0.2
86.03307	0.3
87.00895	2.7
89.02454	100.0
90.02784	1.9
93.03464	0.4
95.01396	2.6
97.02968	0.8
98.20640	0.6
99.00892	5.6
99.04537	0.2
100.01214	0.2
101.02457	39.0
102.02796	1.1
109.02991	0.3
111.00921	0.5
113.02467	19.2
114.02803	0.6
115.03991	0.2
119.03521	14.9
120.03855	0.3
121.02947	0.7
123.04509	0.7
125.02459	2.8
127.04084	0.3
129.01968	2.4
129.87518	0.2
131.03520	60.6
132.03853	1.8
143.03511	3.6
149.04576	31.0
150.04913	1.0
161.04587	3.5
165.09210	1.9
173.04576	1.0
173.05864	0.2
179.05634	8.6
180.05873	0.5
191.05626	38.0
192.05962	1.7
193.04997	0.3
193.08710	1.8
198.10719	0.2
208.05298	0.4
209.06032	0.4
209.08125	0.5
221.06549	0.5
231.08417	0.2
245.04602	1.4
251.07764	0.8
283.11832	0.7
302.47650	0.2
304.04306	0.3
311.09799	0.3
353.08710	0.4
371.13324	0.3
375.87357	0.2
377.08887	0.3
415.12180	0.5
415.16379	3.4
415.21402	0.3
416.16446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1035
Annotation	chrysin 8-C-glucoside
Peak:m/z	Relative Intensity
54.00370	0.4
57.03425	1.9
59.01385	3.2
65.00300	0.6
70.43669	0.4
71.01400	2.1
72.99310	6.5
77.03971	5.7
79.01904	2.5
85.02921	0.7
87.49710	0.5
89.02430	1.6
93.03448	0.9
98.20675	0.8
101.02428	0.7
101.03964	0.8
103.37563	0.5
105.03490	2.6
107.01389	0.8
112.72875	0.4
113.02441	0.5
114.92255	0.4
115.05508	0.4
119.03550	0.7
119.05048	3.9
121.02267	0.5
121.02966	5.9
121.06615	2.2
133.02963	0.8
133.06589	0.7
143.05038	5.2
145.02969	4.9
147.11795	0.6
148.01617	0.5
149.02464	7.3
157.06587	1.5
161.02431	1.3
161.09779	0.9
163.11276	1.1
165.01976	0.5
169.06567	0.7
171.08208	0.8
173.09694	3.6
179.03448	0.6
180.05861	0.8
181.06561	1.2
187.03996	1.0
191.03427	0.4
191.10809	1.4
192.82848	0.4
193.06659	0.5
193.08728	0.7
195.08162	1.9
197.06073	0.7
199.07655	1.7
208.05185	0.6
209.11830	11.9
210.12195	0.9
221.06024	0.5
223.07661	4.1
223.64740	0.5
224.07932	0.5
225.05592	1.1
227.07155	1.1
235.09756	2.6
239.07166	1.0
251.07242	0.6
252.04297	0.7
252.10536	0.4
253.05080	1.9
253.10820	12.2
254.11066	0.9
265.05136	1.1
266.05850	0.7
267.06607	84.1
268.06940	7.7
277.05035	3.5
293.04672	0.7
295.06116	100.0
296.06470	9.8
298.04825	1.1
307.06119	3.3
325.07016	3.2
415.10379	82.3
416.10718	11.3
434.01407	0.5
434.99789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	13.9
58.00602	0.9
59.01383	25.2
62.34392	0.6
69.24628	0.6
71.01392	12.5
71.05044	1.5
72.24337	0.6
72.99313	49.9
73.99692	0.7
75.00882	1.5
77.03976	3.8
79.01933	2.0
79.05546	1.2
81.03471	1.0
83.01418	0.8
83.05056	1.8
85.02974	3.0
87.00835	1.0
89.02449	10.0
90.35726	0.6
93.03481	1.9
95.01400	1.3
97.03035	0.7
98.19858	1.5
99.04548	2.1
101.02467	5.0
105.03475	1.4
107.05064	2.2
113.02454	4.0
119.03528	4.0
119.05043	2.4
120.05824	2.1
120.18697	0.7
120.99680	1.4
121.02972	3.2
121.06612	24.3
122.06963	1.1
123.04542	0.9
125.02511	1.4
133.06613	5.5
134.07326	0.8
143.05054	2.6
145.02975	3.6
147.08200	1.5
147.11823	6.5
148.09036	0.7
149.02475	3.8
151.06409	0.8
151.07661	1.7
152.04755	0.8
157.06624	8.3
161.02457	0.8
161.09735	7.4
163.11331	10.1
164.11565	0.8
167.03554	1.8
168.03885	1.0
171.08192	2.0
173.09731	29.2
174.10112	2.4
175.07626	1.1
185.10054	0.7
189.09250	1.0
191.05621	2.0
191.09091	0.6
191.10791	13.7
193.08719	4.9
195.08112	1.3
197.04535	0.8
199.07726	0.9
207.10283	0.9
209.11845	100.0
210.12163	6.4
217.08739	2.2
223.07681	2.9
235.09744	19.9
236.10077	1.8
239.07098	0.7
251.12891	0.9
253.10811	99.2
254.11119	8.0
266.05920	0.7
267.06622	50.2
268.06876	5.6
277.05127	1.0
295.06134	57.9
295.11789	3.8
296.06555	5.2
307.06174	3.0
325.07120	1.3
355.14105	1.2
415.10303	47.7
415.16037	25.9
415.22183	1.4
416.10696	6.4
416.16461	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.27
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
53.01948	0.4
54.28574	0.3
57.03443	0.6
71.72010	0.7
79.05532	0.7
107.05024	0.8
111.04525	5.7
119.08676	0.8
121.02968	0.4
121.06576	0.5
123.08165	2.3
138.03247	0.6
151.04028	0.9
159.08171	1.0
161.09729	1.9
161.31645	0.4
163.04031	2.8
163.07620	0.8
165.01938	0.5
166.02742	3.0
167.07176	0.4
175.11301	0.5
177.01923	0.6
177.09250	0.6
187.07628	0.9
189.01949	0.9
191.03552	0.7
203.07062	0.4
205.08675	5.6
207.06679	0.7
208.07417	15.9
209.07727	1.0
213.12825	0.5
215.07144	3.0
216.07579	0.5
219.06708	0.9
221.08176	11.7
222.08577	1.4
223.08844	0.9
229.12265	2.8
231.06718	0.7
231.13882	5.5
233.08188	66.4
234.08524	5.4
244.38818	0.4
247.13399	0.6
257.11856	1.2
261.11322	4.1
262.11957	0.7
275.12878	58.1
276.13437	8.1
277.14206	0.6
344.19949	0.7
369.28012	1.1
413.26956	100.0
414.27301	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	413.2704
Annotation	bis-Norstriatol
Peak:m/z	Relative Intensity
53.25343	0.2
53.70115	0.2
55.66879	0.2
57.03437	0.3
71.43849	0.5
72.72632	0.3
78.23707	0.2
79.01904	0.3
79.05545	1.1
83.43559	0.2
83.97002	0.2
85.06602	0.7
87.04546	0.7
90.87840	0.2
96.37506	0.3
105.07123	0.3
107.05067	1.1
109.06622	1.0
111.04532	6.8
117.26616	0.3
119.08679	0.8
121.06628	0.4
123.08168	3.0
149.06105	0.3
151.04037	0.4
159.08167	0.8
161.09781	2.3
163.03973	0.7
163.07623	1.8
165.01924	0.4
166.02704	1.0
172.19795	0.2
175.11296	0.9
177.09201	0.5
187.07672	1.1
189.05580	0.5
191.03424	0.3
191.07153	0.4
192.07910	0.3
203.07094	0.3
205.05148	0.4
205.08699	5.1
207.06601	1.7
208.07419	8.1
209.07729	0.4
211.11343	0.3
213.12805	0.4
215.07092	0.3
219.06621	1.0
220.07402	0.6
221.08174	4.7
222.08707	0.7
229.12308	4.1
231.06593	1.3
231.13899	7.9
232.14297	0.7
233.08199	13.1
233.15488	2.1
234.08568	1.0
247.09676	0.3
247.13420	0.6
249.07555	0.4
257.11798	2.3
261.11359	1.8
262.12109	0.5
275.12878	87.1
276.13239	8.2
289.14529	1.0
329.17276	0.4
343.19125	0.7
344.19977	1.3
345.20786	0.3
369.27951	2.6
370.28302	0.5
399.63504	0.3
413.26965	100.0
414.27313	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	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49154	0.5
59.01379	100.0
60.01716	0.8
71.37310	0.4
71.49499	0.5
71.49846	1.1
73.62608	0.4
159.35925	0.5
204.53198	0.4
205.05075	0.5
230.20390	0.4
245.78546	0.4
255.12360	0.4
275.12888	0.6
413.22556	0.7
413.27426	5.5
414.27274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01381	100.0
60.01711	1.2
61.98839	1.5
63.75379	0.2
64.49814	0.2
70.93854	0.3
71.01412	0.8
71.72004	0.4
73.02962	0.4
74.09552	0.2
74.44382	0.3
81.03459	0.3
85.02985	0.5
85.27818	0.3
89.02491	0.4
101.02499	0.7
109.02979	0.2
111.41192	0.3
113.02473	0.3
125.02504	0.9
140.19083	0.2
151.00366	0.3
163.00458	0.3
165.09282	0.6
191.05690	0.9
192.10039	0.3
207.13875	0.6
209.08211	2.1
217.05052	0.3
241.01511	0.7
242.02290	0.5
245.00970	0.4
251.12868	0.7
268.25269	0.3
270.01767	0.9
275.13766	0.2
298.01260	0.4
333.35648	0.3
413.08545	1.7
413.21912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46927	0.7
70.87969	2.6
112.19734	0.8
116.32903	0.6
124.01723	1.1
125.06116	1.8
129.07185	0.9
136.01666	3.0
137.02478	3.6
149.02458	9.1
161.06042	0.9
163.04021	1.2
163.07657	1.0
165.01938	3.1
176.04828	0.7
177.01909	1.0
177.05586	2.2
178.06355	2.0
189.05569	16.3
190.06273	2.7
191.07178	7.9
192.07907	3.1
193.08691	1.4
203.07152	19.7
204.07822	3.7
218.13083	1.5
219.06633	6.9
219.10287	3.4
220.07352	4.8
221.08174	3.1
231.06648	5.3
231.10265	5.6
232.07256	1.3
232.11011	1.4
233.08200	1.2
241.12512	0.8
245.11815	1.9
246.12651	4.6
247.01593	0.8
250.12177	1.0
274.12085	18.7
275.12488	3.1
288.17102	1.0
315.19662	29.3
316.19992	3.3
343.19144	100.0
344.19461	13.6
413.23264	7.9
413.27148	4.0
413.31668	5.8
414.23517	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03434	0.7
59.01379	4.5
61.98830	1.3
69.03447	0.3
69.79190	1.1
69.79616	1.0
71.01382	2.2
71.05023	6.7
73.02948	0.5
75.00878	0.5
77.04005	0.3
79.01890	0.6
83.01400	0.9
84.52584	0.2
85.02953	0.7
89.02460	1.4
91.81271	0.2
93.03462	0.5
93.35835	0.3
95.01370	0.7
95.05029	1.7
97.02328	0.4
97.02959	7.4
98.03328	0.3
98.20600	0.6
99.00899	0.5
101.02458	1.4
107.05061	0.4
108.02216	0.5
109.02982	1.3
111.04527	3.2
113.02474	1.3
113.06095	0.3
115.45095	0.3
119.03538	0.5
119.05035	0.9
121.02969	2.2
123.04540	0.8
125.02477	2.6
125.06097	0.7
125.40675	0.2
133.06631	0.5
135.02992	0.5
135.04546	1.2
137.02461	0.9
137.06117	0.4
138.03232	0.6
139.00430	1.2
139.04030	100.0
140.04381	3.7
148.01605	0.5
149.02472	0.3
149.06104	1.7
151.00407	0.5
151.04008	0.4
153.01952	4.4
153.05574	2.0
154.02715	0.4
159.04390	0.4
161.02432	0.3
161.04591	0.5
163.04027	14.7
163.11324	1.0
164.04401	0.7
165.01939	2.4
165.05519	0.3
177.01926	0.3
178.99879	4.3
179.03473	0.4
179.07195	1.3
180.00494	0.5
181.05084	7.8
183.03015	0.5
187.03999	0.7
189.09209	3.3
191.05630	0.4
191.07176	0.6
192.00717	0.3
193.01433	3.6
193.05106	1.0
197.08102	0.3
205.05061	0.5
207.06708	2.0
207.10254	5.0
208.07394	1.0
208.10596	0.3
209.08205	0.8
211.06165	0.8
221.08221	0.3
233.08194	2.3
235.06079	2.0
235.09850	0.5
236.06911	4.9
236.09113	0.5
237.07382	0.5
239.09402	0.9
247.09766	0.5
250.08374	0.3
251.09239	28.9
252.09592	2.5
263.09293	0.7
275.09277	4.4
276.09647	0.5
291.67786	0.3
293.10306	2.1
301.09235	2.4
305.10416	0.5
323.11649	0.3
329.33875	0.3
367.10342	0.8
371.04208	0.3
398.12387	1.2
413.14685	22.1
414.15015	2.1
415.77036	0.3
425.43243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1607
Annotation	Kadsulignan L
Peak:m/z	Relative Intensity
59.01357	1.3
61.98815	0.6
68.99804	0.6
81.09899	0.4
95.01378	0.4
102.88805	0.4
118.66515	0.4
151.00412	0.6
161.02472	0.6
177.05571	1.8
181.07191	0.5
201.05559	0.9
203.03477	2.4
215.03578	0.7
217.05063	6.4
218.05739	1.6
227.03488	1.6
230.02255	1.1
231.02765	0.5
243.02927	1.0
244.03709	1.5
245.04553	9.8
246.04883	0.9
250.04738	0.5
256.03766	0.9
257.04468	2.7
258.01648	1.8
259.02472	2.9
270.01657	1.9
271.02512	3.3
272.03101	1.7
273.04028	100.0
274.04514	11.7
276.02792	0.6
284.02841	0.7
285.03076	0.7
309.07678	1.2
321.42511	0.4
327.08963	1.3
342.07339	4.0
343.07703	0.5
344.09009	1.2
359.07828	0.8
413.16107	60.6
414.11145	0.6
414.16464	10.0
430.89395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Hymenoside R
Peak:m/z	Relative Intensity
52.67455	0.3
56.37522	0.4
57.03453	2.1
59.01377	1.5
61.98832	0.8
69.03466	0.8
69.84447	1.7
69.84852	0.5
71.01391	1.0
71.05038	0.9
72.99303	0.4
73.02953	0.4
81.03465	13.3
82.03799	0.4
83.01399	2.9
89.02454	0.3
93.03481	1.0
95.01388	0.5
95.04473	0.7
95.05040	7.1
95.87964	0.3
97.02975	3.9
99.04532	12.8
101.02463	0.6
105.03503	0.5
107.00796	0.4
109.02953	0.4
111.04522	1.7
113.02440	0.4
121.03011	0.7
123.04546	6.6
125.02467	32.9
126.02811	1.1
135.04590	0.4
137.02470	5.1
138.48866	0.3
139.04045	5.2
149.02473	0.8
151.04013	1.3
164.01195	0.5
165.01962	0.6
167.03516	100.0
168.03839	5.5
178.87491	0.4
179.03537	2.8
186.66348	0.3
191.05606	0.5
197.04561	21.1
198.04880	0.8
205.08763	0.9
207.10294	0.9
209.04538	1.0
251.05652	0.3
251.09285	0.6
255.02409	0.3
269.06656	1.6
281.58963	0.4
287.07736	10.6
288.08148	0.6
293.10315	19.2
294.10657	1.4
305.10168	0.5
323.11374	5.1
329.41281	0.4
413.14517	12.8
414.14789	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03450	5.3
58.00593	1.9
59.01088	1.5
59.01380	28.8
59.39962	1.0
61.98837	5.8
63.32322	1.1
67.01862	1.0
69.03451	2.5
69.72631	4.3
69.73057	2.6
71.01388	22.4
71.44478	0.9
72.99312	7.7
73.02950	3.7
75.00875	3.6
79.05511	2.2
81.03448	6.9
83.01398	2.2
83.05029	9.7
85.02957	7.4
87.00887	2.2
87.47837	1.0
89.02454	12.0
93.03443	2.6
95.01418	2.0
95.05029	1.1
97.02957	16.1
99.00909	1.6
101.02467	16.4
105.07143	0.9
108.02202	1.1
109.02946	0.9
111.04517	1.2
111.60831	0.9
113.02462	9.1
115.05508	0.9
119.03520	5.8
123.04539	39.9
125.02490	1.7
129.07097	2.1
143.03563	1.3
143.08659	2.7
145.10245	17.1
149.02429	1.5
149.06076	3.2
151.00464	1.0
161.04572	5.2
161.09671	2.3
163.11308	19.5
164.11649	1.4
165.09193	1.6
170.99107	0.9
171.08142	2.0
189.09221	45.7
190.09535	3.4
191.05582	4.3
206.09479	1.5
207.10272	32.9
208.10568	1.9
233.08195	16.6
234.08578	1.6
245.04459	2.6
251.09212	10.0
293.10373	1.2
301.18195	0.9
369.15430	6.1
413.14523	100.0
414.15002	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74914	0.1
57.03448	5.5
59.01381	1.4
59.84377	0.2
63.02403	0.4
65.00321	0.5
69.84875	0.6
69.85285	0.4
71.01385	0.5
73.02911	0.2
81.03464	2.3
83.01394	7.7
85.02975	0.4
93.03468	0.2
93.45886	0.2
95.05033	0.2
97.02961	0.9
101.02473	0.3
105.03476	0.4
107.01407	1.1
107.52322	0.1
109.02988	0.3
111.04522	0.3
113.02473	0.2
121.02953	0.8
123.04559	0.7
123.08179	0.3
124.01686	0.3
125.02468	100.0
125.06051	2.0
126.02798	4.1
128.80669	0.2
137.02477	0.3
139.04042	2.5
141.09230	0.3
149.02467	13.4
150.02794	0.8
151.00398	1.7
161.04585	0.6
163.04024	0.3
165.09206	0.3
167.03514	6.1
168.03882	0.3
169.01363	0.2
173.02451	0.6
179.03513	1.7
190.29710	0.2
191.03549	0.5
207.10094	0.2
209.04538	0.3
209.08089	0.2
233.08206	1.1
251.09242	12.8
252.09607	0.8
269.06552	0.3
275.09222	4.3
276.09467	0.3
287.07721	3.8
288.08014	0.4
293.10327	1.4
294.10657	0.2
305.10391	0.4
329.08707	0.3
353.12402	0.5
358.00723	0.1
388.35944	0.2
395.13617	0.3
413.14548	13.6
414.14890	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	412.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.72159	0.2
59.01381	6.7
61.98832	100.0
62.98541	0.2
69.60283	1.2
71.01384	0.8
73.03680	0.2
83.01377	0.2
83.68913	0.2
85.02967	0.5
87.00898	0.2
89.02449	0.5
93.03493	0.3
98.78220	0.2
99.00906	0.2
101.02456	0.8
109.02981	0.2
113.02544	0.2
125.02470	0.7
137.02515	0.3
151.00432	0.3
153.12862	0.2
181.05072	0.2
191.05634	1.7
235.17101	0.4
251.16545	0.2
263.15015	0.3
264.43307	0.2
352.26086	0.4
369.22888	0.3
412.20734	0.3
412.25479	0.4
413.09387	0.3
413.14777	0.3
413.22119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55468	0.3
51.58278	0.2
52.61007	0.3
61.87832	0.3
61.98838	2.0
69.65959	0.9
69.66373	1.6
71.01389	0.7
79.05535	3.0
79.86585	0.3
81.03465	15.2
93.03469	0.4
95.01403	0.3
99.34475	0.3
105.03468	0.4
119.66716	0.4
121.02985	0.5
122.03756	1.7
123.04541	91.7
124.04887	3.5
135.08195	0.4
136.05330	0.4
137.06099	0.7
139.11308	3.4
149.02481	1.8
163.11311	4.0
165.09204	3.1
167.03421	0.4
207.10272	100.0
208.10611	8.1
214.63870	0.3
231.10228	0.7
233.08165	6.5
246.93030	0.3
249.11281	0.8
251.09238	1.8
251.16386	0.3
275.09323	0.6
293.10269	0.5
305.10422	0.4
311.70786	0.3
413.14536	85.2
414.14868	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	412.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10833	0.2
57.17202	0.2
59.01379	1.9
61.98832	100.0
69.63389	1.5
71.01393	0.7
85.02987	0.2
89.02464	0.2
98.20653	0.3
101.02470	0.5
113.02465	0.3
115.05150	0.2
125.02453	0.3
130.08746	0.8
137.02454	0.2
151.00418	0.4
151.04062	0.2
161.04564	0.2
167.03514	0.2
178.99838	0.3
189.16505	0.2
191.05565	0.2
193.01408	0.2
207.06491	0.2
251.09406	0.3
271.02429	0.5
289.04187	0.2
289.07141	0.4
299.02420	0.2
300.02737	0.2
317.05231	0.2
331.04602	0.8
331.08160	0.2
412.13965	0.3
412.20435	0.5
413.14551	0.2
413.24033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62009	0.2
57.03434	0.3
57.95472	0.2
58.85993	0.2
59.01382	15.5
61.98833	100.0
62.98567	0.3
69.66401	1.9
71.01386	2.2
72.99300	0.3
73.02957	0.3
75.00914	0.2
75.03082	0.2
83.01407	0.6
85.02972	1.0
87.00896	0.3
89.02457	0.8
93.03474	0.4
100.92548	0.3
101.02450	1.8
105.36854	0.2
110.42432	0.2
113.02477	1.3
119.03530	0.5
125.02478	2.2
125.06144	0.4
137.02472	0.5
138.58159	0.2
149.02417	0.2
151.00420	0.5
153.02003	0.3
155.19528	0.2
160.03311	0.2
161.04591	0.3
163.04041	0.3
165.09288	0.8
173.04579	0.8
187.04576	0.2
191.05598	2.1
191.06830	0.2
209.08185	2.5
233.08246	0.3
234.84183	0.3
244.44208	0.2
251.09346	1.0
256.91821	0.2
263.15125	1.0
285.09775	0.2
305.15964	0.4
352.26044	0.4
412.10831	0.3
412.25772	0.8
413.08838	0.9
413.14728	0.8
413.22076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66996	0.3
57.03449	0.6
59.01377	1.5
59.31793	0.2
60.51970	0.3
61.98833	100.0
70.78146	0.3
71.01390	0.7
71.05045	0.3
71.71659	0.4
81.03465	3.8
83.01428	0.7
85.02955	0.3
89.02448	0.3
95.01413	0.3
95.05051	1.4
97.02987	1.1
99.04535	2.9
101.02468	0.3
102.76311	0.2
111.04550	0.4
113.02442	0.3
121.81647	0.2
123.04548	1.6
125.02471	10.4
135.04552	0.4
137.02475	1.7
139.04008	1.2
149.02618	0.3
151.00418	0.4
151.04018	0.4
165.02019	0.4
167.03519	28.7
169.93846	0.2
178.99893	0.6
179.03583	0.8
191.05766	0.3
193.01450	0.2
197.04570	5.5
236.06917	0.5
245.04599	0.4
251.09309	0.5
269.06723	0.5
271.02499	0.4
287.07730	2.6
293.10333	6.4
305.10410	0.3
323.11462	1.8
331.04764	0.6
355.74341	0.2
358.12231	0.3
379.40594	0.3
412.20087	0.5
413.14447	4.1
434.05441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56650	0.4
59.01380	100.0
60.01693	0.9
69.48101	2.1
69.48524	1.3
81.87022	0.3
86.06254	0.3
111.04571	0.6
119.00512	0.3
124.48026	0.4
167.42305	0.3
208.07431	0.5
210.22156	0.3
221.08197	0.5
233.08226	0.4
247.88841	0.4
300.23877	0.4
327.16098	0.7
333.69168	0.4
354.34207	0.4
411.25449	4.6
412.25928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98832	30.0
63.02418	0.2
65.00318	0.4
69.82388	0.3
69.82804	0.7
71.01372	0.8
73.02951	0.2
77.69300	0.2
79.05536	2.5
81.03463	12.8
83.01420	0.4
85.02958	0.3
93.03491	0.5
95.01402	0.3
95.05070	0.2
99.08181	0.3
105.03489	0.5
107.01396	0.9
109.02987	0.6
113.02459	0.2
119.01426	0.2
119.05045	0.2
121.02958	0.4
121.10271	0.3
122.03719	1.3
123.04539	81.5
125.02483	0.3
135.08199	0.6
136.01720	0.5
136.05328	0.3
137.06102	1.0
139.11314	2.9
147.00882	0.2
147.04556	0.6
149.02472	1.8
151.00394	3.9
151.04163	0.2
152.00952	0.2
156.91888	0.2
159.04549	0.3
160.05321	0.3
163.11304	3.0
165.05580	0.2
165.09224	6.2
167.03488	0.5
169.01515	0.3
178.99887	2.8
189.09212	0.4
191.07162	0.3
199.03970	0.3
201.01942	0.3
204.04277	0.5
206.09528	0.2
207.10269	100.0
219.10181	0.2
221.11813	0.4
227.03506	0.6
228.13116	0.2
231.03082	0.2
231.10321	0.8
233.08174	6.4
243.02963	0.4
249.11284	1.0
251.09241	1.5
255.03047	0.4
261.11395	0.3
271.02451	5.4
272.02979	1.0
273.04016	0.3
275.09412	0.9
293.10336	1.5
299.01987	2.8
300.02744	3.8
301.03403	1.1
305.10367	0.8
323.11386	0.7
331.04596	9.4
332.04971	1.2
349.05630	5.2
350.05972	0.4
413.14526	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.254
Annotation	Robustol
Peak:m/z	Relative Intensity
67.41519	0.2
71.71964	0.4
73.59846	0.3
79.01899	0.8
80.97388	0.3
87.04526	0.3
107.05046	1.0
109.02971	0.4
111.04538	8.0
111.05308	0.5
112.04876	0.5
113.06154	0.3
122.03759	0.2
123.04555	2.4
143.17752	0.2
149.02473	0.3
150.03214	0.8
151.04030	10.8
152.04395	0.6
163.04005	0.4
163.07489	0.3
165.01892	0.3
165.05521	0.3
166.02733	0.9
177.01939	2.7
177.09227	2.2
178.02673	0.4
179.03488	0.6
180.04329	0.8
191.03561	0.3
192.07889	0.9
193.05093	0.7
193.08723	2.8
199.36333	0.4
203.07149	7.1
204.07588	0.5
205.05133	1.1
206.05789	0.5
207.06651	3.6
208.07413	3.4
209.07977	0.3
219.06665	1.6
220.07388	2.0
221.08197	100.0
222.08641	8.4
223.09148	0.3
227.14539	0.3
229.08736	0.5
231.06750	0.3
233.08191	3.9
233.15422	0.5
234.08534	0.5
247.09714	2.9
248.10106	0.4
252.06361	0.7
255.10419	0.2
257.11755	0.3
259.09753	0.6
261.11172	0.3
271.13168	0.3
273.11316	2.8
274.11804	0.8
283.16998	0.8
285.11353	0.3
287.13083	0.3
289.14368	1.8
299.12805	0.8
300.13687	0.4
327.16058	4.8
328.16281	0.6
341.17450	0.8
341.21365	0.5
342.18475	2.0
343.18967	0.4
367.26410	2.3
368.26950	0.3
374.17435	0.4
411.25403	98.6
412.25748	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	411.195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.2
61.62062	0.5
61.98814	0.6
67.01882	0.7
78.55080	0.6
79.05550	0.7
87.04502	0.7
101.06069	0.8
107.05080	0.8
111.04556	0.6
121.06604	3.5
123.04525	3.2
124.01617	0.6
125.06095	7.9
137.06090	1.6
137.09731	2.1
147.04431	0.6
149.09683	1.0
151.00465	0.8
151.04015	1.9
163.04012	0.9
165.05609	7.9
179.10748	0.7
187.11620	0.6
191.03545	2.0
203.10812	4.4
205.12343	7.5
211.71707	0.6
217.08698	1.5
221.11847	1.0
223.09816	0.8
231.10278	2.5
235.09801	7.2
249.11313	39.8
250.11597	3.0
341.21487	1.2
357.20874	0.7
361.84637	0.7
375.21780	100.0
376.22150	14.6
382.10995	0.7
411.25558	5.6
412.25964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2027
Annotation	3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Peak:m/z	Relative Intensity
57.03450	6.7
59.01360	1.3
61.98845	0.3
63.95402	0.3
68.99806	0.6
70.39811	0.2
70.73887	0.9
71.01368	0.4
79.05486	0.4
83.05015	0.4
85.02962	15.2
85.06602	5.7
87.00853	1.1
87.04523	2.7
87.87995	0.3
93.03440	0.4
95.01373	0.3
95.05007	0.9
107.05043	0.4
109.06597	0.7
111.00874	0.9
111.04538	12.9
111.08193	1.9
112.04840	0.5
113.05353	0.3
113.06104	5.3
114.78672	0.3
121.06598	0.7
123.00874	0.9
123.04553	0.3
123.08167	0.5
124.01711	0.4
127.07668	0.7
133.06578	1.2
135.08131	0.5
137.02452	0.4
137.06117	1.3
137.09776	0.4
139.04021	0.9
139.07619	0.8
142.85703	0.3
145.06584	0.4
151.00394	0.7
151.03990	1.3
151.05070	0.3
151.07625	0.5
153.09169	0.5
155.07164	17.8
156.07478	1.1
161.09692	1.1
163.07637	1.9
165.05472	0.5
165.09210	1.1
166.06342	1.2
179.03474	0.7
179.10777	0.8
181.05090	4.2
181.08710	0.7
182.42929	0.3
183.06578	0.8
185.07135	0.3
191.07152	0.7
191.10812	0.7
192.07906	0.8
193.05042	1.1
194.05855	5.7
195.06483	1.0
198.05367	1.7
200.30443	0.3
203.10780	2.6
203.14485	0.5
207.06552	0.9
207.13936	0.4
211.13428	0.4
215.10699	1.4
216.11526	0.6
221.11748	0.6
233.11798	1.9
237.14922	0.4
255.13733	0.5
255.16043	1.3
261.15039	0.4
263.12863	0.3
273.12091	0.4
273.14914	2.6
274.15433	0.4
275.12762	0.4
279.16025	0.8
281.13931	2.9
282.14096	0.3
289.18051	0.7
291.12354	0.9
291.15802	0.5
295.15356	0.3
297.85977	0.3
307.11911	1.6
307.19073	0.6
308.12286	0.4
323.14850	2.5
323.18158	0.4
324.15683	0.4
325.13010	0.5
331.19165	1.6
333.17154	0.8
348.09555	0.3
349.20203	9.8
350.16913	0.5
350.20926	1.6
351.18137	100.0
352.18466	13.1
365.19833	0.5
367.21213	1.1
393.19174	11.3
394.19849	4.6
395.20511	0.6
411.14639	0.7
411.20236	11.0
411.25211	0.6
412.20563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46323	2.1
59.01374	16.6
61.98833	5.2
62.15102	1.9
63.17795	2.5
65.40810	2.3
67.41409	2.4
68.33245	2.2
70.81397	4.9
70.81750	4.8
71.01384	9.0
89.02451	4.9
96.96039	3.3
97.58446	2.3
101.02442	3.7
120.62541	2.5
137.02519	2.8
183.13885	8.4
186.38368	2.5
195.13879	6.6
197.02307	4.4
205.12334	5.9
211.08667	3.5
213.14975	100.0
214.15337	6.2
224.72363	2.7
401.15726	2.8
411.10938	2.6
411.19717	14.1
411.25464	4.7
412.20706	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	411.1815
Annotation	Nigrolineaxanthone O
Peak:m/z	Relative Intensity
56.12333	0.3
57.03431	1.3
58.15828	0.3
59.01379	3.9
59.87597	0.3
61.98832	2.0
65.00324	0.3
69.03458	0.9
71.01377	0.6
71.29163	0.6
81.03461	0.5
83.01400	0.7
95.01404	0.5
97.02976	1.1
101.03983	0.9
103.24606	0.4
111.00900	0.4
113.02470	0.6
119.05048	9.8
120.05428	0.4
121.02985	1.7
129.03482	1.6
129.07120	0.8
130.04265	0.8
131.05051	2.8
135.34444	0.3
136.98816	0.7
142.88864	0.4
143.05040	0.7
145.02977	8.1
145.06592	3.6
146.03270	0.6
147.04567	0.5
149.09761	0.5
151.00414	0.6
153.12926	0.4
157.06664	1.0
159.08177	0.4
161.06099	1.1
163.03960	0.6
173.02461	0.6
173.06097	9.5
174.06407	0.9
175.04048	0.5
175.07620	0.6
183.08179	0.7
185.06062	0.7
189.05594	7.8
190.02727	0.5
190.05940	0.6
193.12347	1.2
196.05182	0.4
198.07043	0.5
199.03983	0.8
201.05605	0.6
212.04810	1.2
213.05588	0.9
215.03525	3.8
217.05077	19.8
218.05382	1.3
224.08501	1.1
225.05565	4.8
226.06334	3.3
227.07083	1.0
229.05119	1.0
239.03520	1.4
241.05040	0.6
242.05612	0.4
247.13306	0.5
253.05029	5.1
254.05737	1.7
256.03915	0.4
258.05334	0.8
265.14447	5.4
266.14780	0.4
267.06592	0.5
268.07394	10.8
269.07785	1.2
271.02438	0.3
279.10236	0.5
283.02463	2.9
325.07401	0.3
333.14993	0.4
339.15833	0.5
349.18018	0.7
351.16003	5.3
352.16608	0.5
365.17715	1.0
367.15219	0.5
367.19202	0.4
368.16083	0.4
369.17081	1.4
375.15994	0.4
393.17056	9.9
394.17459	1.8
411.18164	100.0
412.18521	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	411.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82393	0.1
52.38579	0.1
54.87729	0.1
57.03442	0.3
58.81320	0.1
59.01374	0.6
61.98824	0.2
65.00352	0.1
71.42538	0.2
71.63803	0.1
78.95921	0.2
79.01948	0.1
81.03457	0.1
85.02962	1.1
85.06611	0.4
87.00871	0.4
87.04506	0.1
93.03462	0.1
93.15768	0.1
95.05055	0.1
109.06630	0.1
111.00895	0.4
111.04537	0.9
113.06094	0.5
119.05041	0.3
121.02942	0.2
125.06074	0.1
137.06125	0.2
139.04056	0.1
145.03004	0.2
151.00397	0.1
153.09247	0.1
155.07170	1.3
163.11426	0.1
165.05563	0.1
165.09264	0.1
167.05025	0.1
168.78505	0.1
173.02415	0.1
179.07047	0.1
179.10884	0.1
181.05104	0.3
183.04530	0.3
183.06638	0.3
184.06931	0.2
185.02435	0.2
187.04048	0.1
189.05556	0.4
189.09247	0.2
191.07108	0.1
194.05907	0.1
195.06590	0.2
197.08131	0.3
198.08540	0.3
199.08774	0.1
207.10313	0.7
209.02496	0.1
209.11920	0.1
211.04027	0.7
215.03496	0.5
227.03491	0.6
229.05043	0.3
239.03493	5.2
240.03952	0.4
241.01469	1.2
242.01779	0.1
255.02991	1.0
265.01453	0.2
271.02527	0.2
272.03210	0.3
282.01740	0.1
283.02472	100.0
284.02795	9.4
289.14328	0.1
322.17432	0.1
323.17792	0.3
331.18954	0.1
333.17050	0.2
340.02350	0.5
342.07449	6.7
343.07755	0.9
349.20169	0.2
350.20840	0.1
351.18118	5.1
352.18497	0.6
392.21768	0.1
393.18689	0.3
393.22684	0.2
394.19687	0.1
410.22656	0.9
411.14316	0.9
411.17667	0.2
411.23337	2.1
412.18839	0.1
412.23575	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	411.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.3
59.01377	2.1
61.98820	0.7
63.61745	0.2
69.68398	0.9
69.68810	0.7
71.01375	0.2
71.61520	0.2
73.02948	0.2
85.02966	0.4
95.05047	0.3
96.96004	0.2
98.19865	0.5
101.02452	0.3
109.02972	0.9
111.00872	1.1
111.04523	0.5
113.06085	0.3
121.02956	0.8
125.02446	0.2
136.01701	1.1
137.02463	11.0
137.05978	0.2
138.02835	0.4
142.22626	0.2
149.02464	20.8
150.02786	0.6
155.07089	0.2
163.07724	0.3
173.00845	0.2
177.05533	0.5
179.07214	0.3
183.06645	0.3
184.06873	0.3
191.07152	1.5
192.07936	100.0
193.08260	7.3
195.06654	0.3
196.07011	0.4
204.71277	0.2
207.10277	78.7
208.10614	6.0
215.77708	0.2
219.14027	0.3
221.08211	0.4
254.34975	0.2
335.18619	1.2
349.79205	0.2
369.15106	0.3
379.17496	0.3
393.19193	0.3
396.14282	0.3
411.20352	3.8
412.20352	0.4
427.60544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03439	1.0
59.01377	3.2
61.98837	4.1
64.56523	0.6
70.92398	1.1
70.92757	0.9
71.01336	0.7
84.76866	0.6
85.02966	4.3
85.06607	3.1
85.69336	0.6
87.00877	0.8
87.04512	1.2
91.68409	0.5
95.05028	0.6
108.02177	0.6
109.03043	0.7
111.00870	2.5
111.04567	3.4
113.06087	1.3
114.58255	0.6
121.02972	0.7
125.02451	0.8
125.90337	0.6
137.06073	0.7
141.07169	0.6
143.04999	0.9
145.02975	3.2
147.69720	0.7
151.00394	0.8
152.80939	0.6
155.07167	3.9
157.06573	1.3
173.05943	0.7
175.04066	0.8
181.05142	1.1
185.06020	1.2
189.09108	0.7
195.04515	1.3
195.06694	0.8
197.11673	0.7
207.10272	1.3
208.07425	0.9
209.06024	0.8
211.07626	2.0
213.05544	2.3
215.03345	1.4
221.08220	0.9
227.03488	0.7
227.07166	1.5
229.01462	1.0
229.05043	2.3
230.02173	2.4
231.06544	3.3
239.03473	4.7
240.03635	0.7
241.01518	1.2
243.03006	11.8
244.03667	3.8
247.13385	1.2
255.02861	1.3
255.06682	3.5
256.03723	1.1
257.04456	1.1
258.01721	4.3
259.02423	1.1
263.07031	1.0
271.02454	44.2
272.03125	13.3
273.03598	0.9
283.02487	100.0
284.02832	9.7
285.03934	4.0
293.04663	1.0
294.05289	1.2
295.06088	1.6
297.04071	3.1
297.07230	0.8
304.02295	2.1
307.06116	21.0
308.06534	3.9
309.04260	1.4
309.07672	12.3
310.04794	1.3
310.08142	1.5
311.05728	3.2
313.07281	0.7
323.05627	1.6
323.14865	0.7
325.07199	45.6
326.07953	80.0
327.08328	9.7
333.17020	1.2
341.06628	1.0
342.07462	58.0
343.07785	6.6
349.20020	1.1
351.18130	19.1
352.18503	1.7
391.25797	0.7
393.19116	1.9
410.22690	1.2
411.14438	8.9
411.18692	6.6
411.25983	3.7
412.14322	1.4
412.19226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86424	0.2
57.03442	0.2
59.01378	4.0
61.98833	100.0
62.98542	0.2
63.99266	0.4
69.91022	0.5
69.91431	1.0
71.01389	1.2
73.02975	0.2
73.39642	0.2
78.95918	0.2
85.02966	0.5
87.00897	0.4
89.02461	0.4
93.03484	0.5
97.06587	0.2
98.20600	0.4
101.02451	0.5
102.98603	0.3
111.04604	0.3
113.02464	0.7
113.06087	0.2
125.02554	0.2
134.31282	0.2
135.04555	0.4
157.05022	0.3
161.04593	0.2
173.04747	0.2
174.75302	0.2
179.03520	0.4
187.13412	1.4
188.13791	1.4
191.05644	2.0
195.06770	0.2
205.12405	0.5
205.20819	0.2
209.11757	0.2
217.05057	0.2
227.12834	0.2
229.01334	0.2
249.11331	0.4
253.10887	0.6
347.17175	0.4
350.19159	0.7
353.08832	0.3
353.13239	0.2
366.13278	0.4
401.11707	0.5
401.61908	0.3
410.18936	1.0
411.20612	0.3
411.25647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29195	0.3
56.00625	0.3
57.03433	0.4
59.01387	1.1
60.98196	0.3
61.98832	100.0
64.82463	0.3
71.66628	0.3
71.72433	0.5
72.42517	0.3
97.03041	0.4
108.89398	0.4
127.51001	0.3
127.54153	0.3
151.04141	0.5
165.05600	0.8
170.34621	0.4
177.09308	0.4
183.04787	0.3
188.68451	0.3
221.08241	2.1
255.03101	0.6
255.06760	0.4
267.03030	1.3
275.08447	0.4
325.07303	1.1
347.18634	5.3
348.19052	0.6
350.19699	0.5
410.17599	0.6
410.23285	1.1
411.18082	0.8
411.25540	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0242
Annotation	Turgorin
Peak:m/z	Relative Intensity
56.85553	0.3
59.01107	0.3
59.01366	1.5
61.98835	0.5
65.53172	0.3
69.03462	0.3
69.74219	1.6
69.74632	0.6
71.01387	2.7
72.99308	0.6
73.02959	0.7
79.95745	3.4
80.96533	3.8
85.02957	1.0
87.00896	1.3
89.02476	0.4
93.50257	0.3
95.95237	0.6
96.96026	100.0
97.02950	0.4
97.95953	0.3
98.19859	0.4
99.00925	0.7
101.02470	1.6
113.02446	0.8
122.97551	0.8
125.02467	14.4
126.02773	0.4
138.59378	0.3
138.97093	9.8
143.03543	0.7
150.97102	1.5
155.49625	0.4
162.00111	0.3
164.98630	1.1
165.05598	0.5
168.00583	0.3
168.98196	0.8
169.01456	21.6
170.01810	1.2
180.98106	0.7
181.24564	0.3
191.05589	1.5
199.49252	0.3
219.03125	0.5
222.99219	2.2
241.00247	61.6
242.00562	3.1
331.06839	2.2
411.02402	51.7
412.02664	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08916	0.5
57.03429	0.6
57.41645	0.5
59.01366	1.9
59.98993	0.5
61.98832	4.3
69.67466	0.5
69.67797	4.2
81.04684	0.4
90.60314	0.4
97.61978	0.6
98.19904	1.1
101.03988	0.6
109.75991	0.5
111.00882	1.5
118.63179	0.5
119.05028	2.4
125.68800	0.5
129.03430	0.5
131.05008	0.5
145.02988	1.0
151.00368	0.7
151.44244	0.5
173.06032	0.8
189.05565	0.7
199.03951	0.8
203.86980	0.5
211.07529	0.8
215.03539	1.1
215.14589	0.5
216.70886	0.5
217.05020	1.1
224.16454	0.5
229.01402	1.1
230.02200	3.8
239.03415	4.2
241.01520	1.2
242.02274	0.7
243.02989	14.9
244.03705	7.1
255.02853	0.9
258.01642	3.6
259.02457	2.0
263.07071	1.4
265.04956	0.5
265.14447	1.2
271.02472	39.4
272.03183	20.5
273.03635	1.8
283.02475	100.0
284.02820	9.7
285.04059	3.6
293.04636	1.6
294.05261	2.0
295.03006	0.8
295.06155	2.2
297.04047	2.7
297.07349	1.1
304.02258	3.6
307.06131	22.6
308.06619	3.1
309.04309	1.0
309.07660	15.4
310.04871	1.1
310.08029	1.8
311.05637	3.1
312.06143	0.8
314.08038	0.9
323.05667	1.3
324.06598	0.5
325.07172	49.6
326.07928	71.6
327.08301	6.7
342.07455	67.3
343.07755	6.9
367.15720	0.8
369.17151	0.6
377.71024	0.5
393.16931	3.5
394.17416	0.7
411.14322	7.9
411.18298	13.8
411.24179	0.8
412.14529	1.4
412.19324	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	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11890	0.2
55.82135	0.3
56.41948	0.2
59.01386	0.8
61.98832	100.0
62.98548	0.2
69.61269	0.6
69.61681	1.6
71.01399	0.3
74.45295	0.3
86.12909	0.3
98.20583	0.6
115.84084	0.3
123.04603	0.5
127.66750	0.2
162.50720	0.3
173.64072	0.3
185.11876	0.3
186.12267	0.5
191.05675	0.8
195.06444	0.3
207.10426	0.3
249.11375	0.4
348.45853	0.3
410.11905	0.4
410.18835	0.3
411.20346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75093	0.3
59.01379	6.6
60.01705	0.5
61.98833	100.0
67.19251	0.3
69.79171	2.0
71.01394	2.5
72.99325	0.5
75.00855	0.4
81.03462	0.3
83.05074	0.5
85.02991	0.8
87.00899	0.4
89.02458	3.0
93.03534	0.3
97.06602	0.4
101.02451	1.6
101.06074	0.3
111.04572	0.7
113.02491	1.1
113.06181	0.3
119.03484	1.3
123.04545	0.3
123.08256	0.3
125.02500	0.7
135.04570	0.4
161.04626	0.4
165.09268	0.6
166.09602	0.8
179.05695	0.5
183.06706	0.9
184.07001	0.7
189.05565	0.3
191.05687	1.1
195.06609	0.5
195.10318	0.7
196.07018	0.4
198.01244	0.3
209.08211	2.9
210.08505	4.9
211.08656	0.6
213.37421	0.3
231.10364	0.4
231.13910	5.8
249.11198	0.3
249.15042	1.2
257.04651	0.4
293.11478	0.4
308.86700	0.3
327.08868	1.0
372.13922	0.9
401.11703	0.4
410.18872	1.7
411.20306	4.8
411.25696	0.4
411.27567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
60.01709	0.2
61.98834	100.0
70.23447	1.1
71.01392	2.0
71.25907	0.2
73.02959	3.3
81.85909	0.2
83.01405	1.0
89.02448	1.3
101.02451	3.6
113.02485	1.8
119.03537	0.5
135.04588	0.3
143.03595	0.3
143.95558	0.3
149.04628	0.9
161.04523	1.5
162.05034	0.3
183.00314	0.2
187.13504	0.6
188.13893	0.6
191.05685	0.8
199.62376	0.2
218.80690	0.3
411.20029	0.3
418.66708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64201	0.2
57.43828	0.2
59.01376	2.7
61.98833	100.0
62.57791	0.3
70.06190	0.2
70.28436	1.2
71.01398	0.6
78.06319	0.2
78.95917	0.9
87.00888	0.3
89.02474	0.6
93.03468	0.4
96.96043	1.4
96.96969	1.7
101.02486	0.5
109.02973	0.4
111.04536	0.3
113.02475	0.4
119.05057	0.3
122.61187	0.2
125.02463	0.6
135.04555	1.3
149.02348	0.3
152.85596	0.2
163.04033	0.4
179.03534	0.3
188.93089	0.2
191.05617	2.8
200.19235	0.3
207.02950	1.2
223.72047	0.2
324.75653	0.3
353.08719	0.3
401.11588	0.4
410.19199	0.9
411.07516	0.9
411.12860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58780	0.4
55.27747	0.4
57.03452	1.0
59.01381	6.5
60.01691	0.6
60.99313	0.5
61.26395	0.5
61.98815	1.1
65.99833	1.9
67.01875	2.0
69.03455	1.0
69.61871	0.4
71.01379	1.9
71.71086	0.5
71.71447	0.7
72.99317	32.9
73.02946	0.6
73.99638	0.4
81.03482	1.2
82.32022	0.5
83.05021	0.9
85.02965	8.3
87.00890	6.7
93.03475	15.3
94.03783	0.5
96.96041	0.5
99.00901	0.9
101.02435	0.5
103.04010	1.6
103.70015	0.5
107.05025	0.6
109.02962	1.9
111.04547	3.8
113.02436	0.6
118.05078	1.3
119.05040	1.1
120.04562	0.6
120.99620	0.8
121.02926	3.0
123.04521	1.6
125.02465	1.2
127.04028	2.8
129.01965	0.9
133.02960	1.9
135.04549	16.0
136.04878	0.9
137.01576	0.4
137.02484	3.1
146.02502	1.2
147.00920	0.8
147.03293	1.9
147.04530	6.6
148.04010	0.8
149.02481	0.7
149.06226	0.5
150.03163	0.5
151.04036	2.5
155.03546	0.9
161.02631	0.6
162.01991	0.6
162.05635	7.8
163.04080	0.7
163.06007	0.6
165.05621	3.2
167.03546	0.5
171.02983	0.7
173.02414	2.5
173.04578	14.6
174.01982	3.0
174.05670	5.1
175.00360	0.8
175.02620	0.5
175.04033	1.1
176.03543	2.6
177.01845	0.9
179.03490	1.0
190.01494	0.6
191.05637	100.0
192.03062	1.8
192.05913	3.7
193.01497	0.7
200.03575	7.5
201.03970	0.7
209.04442	0.6
218.01013	8.4
218.04547	12.7
219.01357	0.7
219.03047	5.3
219.04855	0.7
236.01945	1.4
236.05646	30.7
237.05977	2.5
247.04572	2.4
255.96548	0.5
260.03030	0.7
272.07864	2.2
277.03506	0.8
278.04010	1.0
327.15964	0.6
353.08496	0.6
392.09918	4.3
410.11035	32.4
410.19562	1.2
411.11487	4.3
411.25549	2.3
433.09329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.3
64.35103	1.4
65.99852	9.9
71.01409	2.5
71.42078	1.9
71.42397	1.8
72.99315	54.8
81.00906	1.4
81.03468	1.5
83.05021	1.9
85.02969	10.8
87.00897	4.3
93.03456	12.0
95.01383	1.4
96.96017	2.9
96.96993	2.5
98.02483	9.7
101.54314	1.2
105.03445	1.9
107.05054	5.2
109.02977	5.6
110.36709	1.4
111.04536	5.3
114.25951	1.2
118.03024	1.5
119.05016	3.3
120.04565	2.7
121.02978	5.9
123.04530	6.3
127.04083	4.5
129.01959	2.0
133.02983	10.8
134.03780	4.3
135.04547	24.2
137.02454	7.9
145.02957	1.4
146.37225	1.3
147.03365	2.2
147.04547	34.3
148.04051	6.0
149.02405	1.6
149.05005	2.1
149.06097	13.5
150.05630	9.4
151.04063	8.9
155.03519	3.1
162.05632	11.0
164.03596	2.1
165.05589	10.3
168.88448	1.3
173.02472	3.2
173.04579	25.8
174.01985	1.5
174.05637	29.9
175.03961	1.7
175.05966	1.6
176.03444	3.0
177.01918	2.2
178.02742	5.0
179.03543	1.9
191.03709	4.2
191.05618	100.0
192.03058	12.6
192.06776	12.1
193.03506	1.3
193.05110	5.5
193.06865	1.6
200.03558	14.5
218.00957	5.1
218.04593	40.7
219.02983	9.3
219.04863	2.5
236.01927	4.9
236.05649	71.6
237.03941	1.6
237.05988	5.5
247.04579	2.6
296.05011	1.2
296.78610	1.7
374.26443	1.4
392.09753	8.3
410.11118	20.7
411.03650	1.3
411.08945	7.4
411.25443	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	409.2232
Annotation	Rhodojaponin V
Peak:m/z	Relative Intensity
55.01868	1.8
57.03448	4.7
59.01385	10.9
68.99825	1.0
69.03458	2.1
71.01391	2.7
71.05032	8.2
71.22410	2.4
73.02952	34.7
81.03479	7.1
81.30135	0.8
83.01385	4.8
83.05038	13.1
84.02172	7.3
85.02954	6.0
85.06587	6.1
87.00837	0.9
87.04533	1.9
93.03483	1.1
95.04484	1.6
95.05043	18.9
97.02960	2.9
99.04536	11.5
99.08167	10.7
101.06103	12.7
107.04980	1.4
109.02969	8.8
109.06610	2.9
110.03719	2.4
111.04546	9.6
111.08160	4.3
112.08577	1.0
113.02395	1.7
113.06109	24.3
121.02991	0.9
123.04520	4.1
125.02445	2.1
125.06098	19.1
125.09759	1.2
126.06413	1.6
127.04025	13.7
127.07653	2.1
136.05299	1.2
137.02435	2.8
137.06090	3.8
137.09726	2.9
139.04031	2.8
139.11328	2.7
145.02982	11.7
149.09770	2.5
151.04025	8.7
152.04816	4.0
152.08430	1.7
153.05504	1.6
155.07138	1.9
155.10843	6.4
165.09203	2.9
167.03487	2.2
167.10828	7.7
169.05061	1.4
169.08672	1.6
175.07622	1.8
177.01920	2.8
181.05092	1.8
181.08748	2.3
181.12375	1.0
183.10277	1.2
191.03539	3.8
191.10802	8.3
191.49504	0.9
192.08028	1.1
193.07082	1.7
193.08711	18.9
194.09473	5.6
195.06602	2.0
195.10246	4.5
197.08199	4.0
197.11948	1.0
205.05179	1.6
207.10272	8.7
209.08150	3.9
209.11838	5.1
210.08292	1.1
211.09790	32.0
212.10092	2.0
215.12782	1.7
221.11771	2.6
221.15367	2.2
227.12898	4.2
235.09766	19.6
236.10025	1.6
238.08495	1.3
247.13396	1.9
253.10814	23.9
265.14337	3.6
283.15515	80.4
284.15833	8.6
307.15451	4.2
309.13553	2.7
335.18765	1.5
347.22061	1.4
349.19238	4.7
353.19559	4.6
373.19962	1.4
391.21240	15.1
392.21585	1.8
409.17236	3.9
409.22314	100.0
410.22690	14.7
421.56799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01373	2.4
68.99821	0.5
69.03430	0.7
69.62183	0.7
69.62598	2.2
71.01382	0.7
71.05030	5.3
71.63601	0.4
73.02946	5.1
81.03476	1.0
83.01424	1.7
83.05038	1.2
84.02164	0.8
85.02978	1.3
87.00906	0.4
87.04544	0.5
95.05055	1.7
97.02945	1.7
99.04543	3.4
99.08191	3.0
101.06095	4.6
107.05033	0.9
108.02225	0.4
109.02969	5.0
109.06610	1.9
110.03813	0.6
111.04524	1.8
111.08162	0.7
113.06114	1.4
121.06576	0.4
123.04556	2.5
125.02456	1.9
125.06104	9.8
126.06444	0.4
127.04031	5.1
127.07686	1.2
135.00880	0.5
135.04524	0.4
135.08157	0.5
137.02463	1.1
137.06088	1.9
137.09756	0.9
139.00417	0.7
139.03943	0.4
139.07681	0.4
139.11328	0.4
147.08328	0.4
149.09805	0.7
150.06859	0.4
151.04053	4.3
151.07689	0.7
152.04855	3.5
153.01974	2.2
153.05467	0.5
153.09233	0.9
154.02769	0.6
155.07187	0.6
155.10826	2.5
165.05461	0.5
165.09256	1.9
167.10779	1.6
169.08813	0.4
175.07666	1.3
177.01958	0.9
178.02753	2.4
178.06401	0.6
179.03220	0.4
179.07243	0.5
180.07939	0.5
181.05103	0.6
182.02242	2.2
183.10304	0.8
191.03532	1.1
191.07190	0.4
191.10837	3.2
192.08075	0.6
193.08720	14.5
194.09363	2.6
195.06645	1.1
195.10274	2.9
197.08215	1.6
197.11882	0.4
205.05109	1.7
206.05826	0.6
207.10280	5.7
208.10593	0.5
209.08249	3.0
209.11880	2.4
211.06256	0.8
211.09779	8.2
212.10065	0.6
215.12888	0.6
217.08641	1.6
219.06729	1.4
220.07312	0.7
221.08223	0.5
221.11885	0.8
227.12936	0.8
235.09763	38.5
236.10123	3.4
237.07785	1.9
237.10028	0.3
238.08456	7.7
239.09048	0.7
247.09752	0.5
247.13387	0.5
253.10818	8.2
283.15549	2.3
335.18622	1.6
353.19702	3.9
354.19995	0.6
373.20352	1.4
391.21497	3.8
392.21756	0.7
409.22366	100.0
410.22684	14.6
420.66321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2233
Annotation	Lyoniol A
Peak:m/z	Relative Intensity
51.58808	0.3
57.03450	2.7
59.01371	2.5
60.52180	0.3
61.98831	0.3
62.82909	0.3
68.99776	0.3
69.03462	0.7
70.07066	1.7
71.05021	0.6
83.05025	0.5
85.02447	0.3
85.02958	5.1
85.06592	0.5
95.01387	0.7
95.05020	0.9
95.36006	0.3
96.02200	0.5
97.02975	0.8
97.06585	0.4
99.04546	0.4
99.08164	1.7
101.06074	1.2
107.05013	0.4
109.06603	3.5
111.00966	0.3
111.04549	1.6
113.02482	1.7
113.06094	0.6
116.83805	0.3
125.06100	5.4
125.09722	2.8
127.07648	1.3
135.08127	0.6
138.06883	1.2
150.03233	0.3
150.27670	0.3
151.04033	0.4
151.07678	0.7
153.09250	4.6
155.07173	0.5
163.11293	0.6
164.04839	0.4
169.08713	2.8
177.01929	1.0
179.07230	1.7
179.10770	0.8
181.08714	1.1
183.06638	2.7
191.03580	0.9
191.07175	0.4
192.04182	0.3
195.06680	2.1
197.08200	29.7
198.08609	1.5
206.09384	0.7
207.10211	0.4
209.08131	0.6
211.13397	1.3
219.06619	0.5
222.09004	0.8
233.08165	0.9
233.11874	0.7
234.08829	0.6
235.09909	0.4
237.07655	0.4
238.08382	0.4
245.19077	0.3
248.10512	1.2
257.11761	0.5
265.14420	0.9
273.15063	0.4
275.12766	0.4
283.15475	3.8
284.15802	0.5
291.16092	0.7
307.15485	0.4
308.16266	1.2
321.17065	0.8
331.18997	0.3
333.17111	0.3
347.22293	0.7
349.16174	0.3
349.20139	4.8
350.20523	0.7
363.21667	1.7
365.23376	1.1
367.21365	0.7
378.45419	0.4
391.21304	16.4
392.21613	2.2
394.19803	0.4
409.22330	100.0
410.22665	15.4
410.28265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2234
Annotation	Rhodojaponin V
Peak:m/z	Relative Intensity
55.01876	0.3
57.03453	3.3
59.01385	3.4
61.98835	1.4
68.99811	0.4
69.03485	0.3
70.51402	0.2
71.01396	0.9
71.05046	1.0
71.05543	0.6
73.02949	0.3
75.68762	0.3
83.05055	1.0
85.02969	3.6
85.06612	1.3
87.00888	0.9
87.04536	0.6
95.01412	0.9
95.05051	0.8
96.02222	0.5
97.02979	1.5
97.06606	0.5
99.08171	2.4
101.06078	1.5
107.05070	0.3
109.02982	0.4
109.05922	0.4
109.06599	2.5
111.04504	1.7
111.07127	0.3
113.02466	0.7
113.06102	0.6
115.00401	0.8
123.08177	0.5
125.06102	3.9
125.09738	2.7
127.07673	0.9
135.08217	0.6
137.02452	0.4
137.06128	0.7
137.09709	0.5
138.06892	0.4
139.04060	0.6
147.08237	0.3
149.06104	0.4
151.07664	0.6
153.09241	4.6
155.07159	0.8
157.05054	0.3
163.03918	0.3
164.04842	0.6
167.03458	0.3
169.08772	0.9
177.01958	0.4
179.07161	1.9
179.10736	0.5
180.07857	0.5
181.05099	0.3
181.08730	1.3
183.06660	1.2
189.09267	0.4
191.03513	1.9
192.04230	0.3
193.08778	0.6
195.06648	3.5
197.08215	13.4
198.08525	0.7
205.08699	1.0
206.09523	0.7
207.10336	0.5
209.04561	0.3
209.08296	0.5
211.13368	2.1
219.10350	0.3
221.08134	0.3
222.09015	1.7
223.09750	1.0
231.14186	0.4
233.08246	1.5
233.11913	1.1
234.08797	0.4
238.08743	0.3
248.10490	2.3
249.11211	0.4
251.09349	0.4
265.14462	0.8
273.14917	0.3
275.12946	1.1
283.15497	2.2
284.15988	0.3
289.14478	0.4
291.16278	0.4
297.81247	0.3
307.15652	0.6
308.16226	0.9
309.16656	0.4
319.19165	0.3
321.20605	0.3
331.19193	0.7
333.17145	0.9
335.15097	0.3
337.16644	0.7
345.17145	0.5
349.16476	0.6
349.20230	4.6
350.20737	0.6
363.21811	0.8
365.19440	1.6
365.23788	0.4
366.20215	0.3
367.21216	0.6
373.20352	0.5
391.21313	20.6
392.21609	3.3
394.20154	0.7
409.22406	100.0
410.22739	14.4
410.28265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2233
Annotation	Lyoniol A
Peak:m/z	Relative Intensity
55.53161	0.3
57.03448	3.1
59.01381	2.1
69.03448	0.7
71.01386	0.3
71.47995	0.7
71.48327	0.4
73.02917	0.4
75.50339	0.3
81.03469	0.6
83.01406	0.7
83.05021	0.8
85.02956	6.2
85.06597	0.4
87.00871	0.5
93.03468	0.4
95.01379	0.5
95.05039	1.3
97.02956	1.0
99.04491	0.6
99.08145	1.6
101.06095	1.0
109.06596	2.9
110.81311	0.4
111.04538	3.2
111.08174	0.4
113.02442	2.2
113.06097	0.8
120.18724	0.3
122.07839	0.3
123.08160	0.7
125.02415	0.6
125.06091	5.0
125.09717	2.3
127.07689	0.6
135.08211	0.5
137.06128	0.6
137.09714	0.6
138.06874	0.4
141.01988	0.5
147.08165	0.3
149.06017	0.4
151.07542	0.4
153.09232	3.5
155.07153	1.1
163.07617	0.3
163.11266	0.5
164.04778	0.4
169.08717	1.1
177.01961	1.1
179.07149	1.7
179.10764	0.7
180.07895	0.5
181.05151	0.3
181.08670	1.4
183.06639	8.5
184.06963	0.7
189.09134	0.7
191.03473	1.0
191.07318	0.4
192.07846	0.5
193.08830	0.3
195.06627	2.1
197.08205	26.7
198.08517	1.4
205.08682	0.5
206.09424	0.9
207.10300	0.6
209.08224	1.0
211.06136	0.5
211.13295	0.9
219.06577	0.6
222.09024	1.3
233.08165	1.1
233.11885	0.7
234.08897	0.6
235.09668	0.4
238.08336	1.6
248.10493	1.3
249.11200	0.6
265.14395	1.4
275.12897	0.7
283.15506	3.0
289.14432	0.3
291.15878	0.6
308.16226	0.4
309.17136	0.4
315.15942	0.4
321.17075	2.4
329.21359	0.4
331.18985	0.6
333.17297	0.6
337.20111	0.5
347.22372	0.9
349.16632	0.6
349.20227	4.0
350.20602	0.7
363.21805	2.2
365.23349	0.6
367.21082	0.5
391.21378	16.8
392.21744	2.2
409.22336	100.0
410.22647	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	409.2233
Annotation	Rhodojaponin V
Peak:m/z	Relative Intensity
50.59918	0.3
56.99006	0.2
57.03449	3.6
59.01380	3.1
61.98832	2.4
62.73487	0.3
69.03470	0.6
70.47751	1.0
71.01402	0.6
71.05028	1.0
73.02956	0.6
81.03481	0.5
83.01405	0.6
83.05029	0.9
85.02954	4.2
85.03442	0.3
85.06606	1.1
87.00876	2.4
87.04514	1.1
95.01391	1.0
95.05042	0.9
96.02204	0.6
97.02962	1.7
97.06589	0.3
99.04549	0.4
99.08173	2.2
101.06082	1.3
107.05040	0.3
109.02976	1.7
109.06613	2.7
111.04541	3.0
111.08178	0.5
113.02483	1.0
113.06135	0.7
115.00373	2.0
116.26608	0.2
119.05052	0.3
120.95575	0.3
121.02972	0.6
122.03768	0.5
123.00864	0.4
123.04555	0.6
123.08188	0.6
125.02445	0.6
125.06095	4.6
125.09743	2.9
127.07680	0.9
131.10573	0.3
135.04601	0.3
135.08173	0.7
136.05287	0.3
137.02489	0.6
137.06105	0.7
137.09744	0.7
138.06866	0.3
139.07655	0.8
139.11285	0.3
141.05614	0.3
141.09235	0.2
145.02956	0.3
149.06223	0.3
151.07648	0.4
153.01988	0.7
153.09225	3.1
155.07184	1.2
163.04033	0.4
164.04797	0.4
165.09247	0.6
165.79361	0.3
166.25124	0.2
167.07161	0.5
167.10870	0.3
169.08728	1.0
175.07758	0.4
176.23854	0.2
177.01971	1.1
177.05548	0.3
177.09207	0.4
179.07188	2.1
179.10770	0.6
180.07776	0.4
181.05034	0.8
181.08759	1.3
181.12300	0.4
182.02234	0.4
183.06628	1.9
191.03534	1.9
191.07256	0.5
193.08688	3.3
194.09146	0.4
195.06633	2.8
195.10242	0.9
197.08205	14.0
198.08562	1.0
205.08708	1.0
205.12480	0.3
206.09505	1.1
207.06717	0.3
207.10271	1.2
209.08257	1.2
209.11620	0.4
211.09790	2.3
211.13385	1.0
219.06659	0.7
219.10403	0.4
221.08209	1.4
222.08997	1.9
223.09686	1.3
225.11436	0.3
231.13960	0.5
233.08167	2.2
233.11800	0.9
234.08853	0.6
235.09807	0.5
236.49799	0.3
237.07713	0.5
238.08479	1.3
248.10539	3.5
249.11340	1.9
251.09270	0.4
257.11890	0.9
261.11429	0.3
265.14468	0.9
275.12912	2.2
283.15497	2.0
289.14371	0.6
291.16043	0.4
293.14249	0.5
307.15475	0.6
308.16324	0.5
315.16180	0.6
317.14182	0.3
321.17084	0.5
331.19278	0.4
333.16782	1.3
334.17593	0.3
337.16678	0.5
349.16476	0.9
349.20294	3.9
350.20700	0.6
352.15338	0.3
353.19650	0.9
363.21634	0.5
365.19662	1.1
365.23517	0.7
366.20340	0.4
367.21338	0.9
373.20233	0.6
377.15979	0.3
391.21298	25.2
392.21643	3.0
394.20154	0.3
409.22424	100.0
410.22751	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
56.69817	1.6
57.03440	5.4
58.00595	3.1
59.01382	84.2
61.98836	85.5
63.43864	1.4
67.02944	1.3
69.68005	3.9
69.68423	7.9
71.01389	72.3
71.05042	1.8
72.99312	3.7
73.02949	21.4
75.00879	3.0
75.55182	1.6
83.01411	11.5
85.02966	30.7
87.00883	14.2
87.04523	2.5
89.02457	27.8
91.72751	1.8
93.03440	2.9
95.01389	5.0
95.05096	1.5
97.02959	3.7
97.06639	2.5
98.20547	3.2
99.00865	9.3
101.02451	48.9
101.06056	2.1
106.04278	4.6
111.04520	5.1
113.02460	30.9
113.06084	3.2
119.03541	10.4
121.47799	1.6
125.02479	6.0
129.02000	1.9
131.03593	1.8
135.04544	3.6
137.02440	3.1
141.09283	13.6
143.03445	2.3
143.10767	3.8
152.04713	1.5
155.07106	1.9
159.02995	6.5
159.04274	1.5
161.04590	38.0
161.09799	11.0
162.05005	1.5
179.03560	2.2
179.05650	2.0
183.06674	4.7
187.13419	2.6
191.05617	13.0
195.06642	6.8
203.10861	2.9
205.08707	17.3
209.08115	2.5
238.08478	1.9
247.09769	3.1
259.15421	3.1
277.16693	16.2
279.16034	3.4
340.54633	2.3
347.22290	1.9
349.18729	100.0
350.18961	8.7
365.23575	11.9
375.24222	1.9
409.07767	5.3
409.19711	19.3
410.18964	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	409.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03442	1.3
58.00608	0.8
59.01382	100.0
60.01733	1.3
61.98835	11.9
65.39402	0.6
69.03459	0.8
69.60187	1.2
69.60609	3.4
71.01389	21.1
72.99332	1.4
73.02958	3.8
75.00883	0.7
83.01415	1.6
83.05067	0.7
85.02962	7.5
86.85524	0.5
87.00920	2.1
87.04499	0.6
89.02455	21.6
93.03487	1.7
95.01420	0.6
97.02982	0.7
99.00916	1.8
99.04556	0.6
101.02458	17.1
109.03002	1.6
111.00922	1.1
111.04527	1.0
113.02478	9.7
119.03533	7.2
120.99721	1.0
121.10237	0.8
125.02477	5.4
125.06126	0.9
131.03564	1.8
134.03648	1.2
137.02480	0.8
137.06146	2.1
137.42688	0.5
143.03520	2.8
145.07672	1.0
149.04678	1.0
149.06047	0.8
151.00401	0.6
155.03673	0.5
159.03061	0.9
159.04643	1.0
161.02505	1.7
161.04599	5.7
163.04033	1.0
173.04628	1.8
173.06151	4.2
173.08339	0.7
174.06555	0.6
175.04045	1.5
179.04024	1.0
179.05627	9.5
181.05070	14.0
182.05515	0.6
183.06711	1.8
187.13522	0.9
191.05667	11.0
191.07228	6.3
192.06032	0.7
192.07674	0.9
193.05098	4.6
203.03484	0.9
211.06168	2.0
235.06070	3.6
287.05698	0.7
305.12900	0.8
305.16238	0.5
321.04352	1.1
343.10297	3.2
349.12454	2.4
349.18704	32.7
350.18939	3.7
355.10080	0.9
373.11322	2.7
401.11209	0.6
409.11594	1.9
409.18933	5.7
410.19116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03745	0.5
57.03436	0.5
59.01382	63.1
60.01678	0.5
60.16535	0.4
61.98833	55.0
71.01395	6.4
73.02950	2.7
83.01390	1.2
85.02954	2.6
89.02458	4.9
95.01410	0.5
95.05006	0.4
99.00887	0.4
100.91644	0.4
101.02452	5.9
108.86732	0.4
111.04564	0.6
113.02481	5.3
119.03519	2.2
134.56532	0.4
135.04555	0.6
141.01897	0.4
141.12849	3.9
143.03523	0.8
161.04576	3.4
179.05608	1.5
183.06668	0.7
185.11873	0.5
187.13417	100.0
188.13779	6.3
191.05635	1.8
195.06668	1.2
196.84737	0.4
201.14960	2.4
210.11658	0.4
229.14404	1.7
239.12958	0.5
349.18768	5.3
401.43683	0.4
409.18680	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1868
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
50.46544	1.4
56.68317	1.7
57.03450	27.8
59.01381	21.3
61.98835	6.9
68.99829	5.5
69.03476	3.6
69.78537	12.5
71.01392	3.0
71.05021	4.3
75.48235	1.7
77.95770	1.6
78.95969	1.8
81.03475	2.4
83.05059	4.7
85.02959	94.9
85.06597	43.2
86.03305	2.3
87.00887	11.5
87.04525	25.4
95.01402	2.5
95.05049	5.3
97.02984	3.7
97.06582	2.5
98.20598	2.8
99.04521	2.5
101.06095	1.9
109.06622	3.9
111.00918	4.3
111.04539	33.7
111.08163	11.5
113.02567	1.7
113.06103	38.9
114.06425	1.9
121.06587	2.8
122.03762	4.6
123.04532	3.9
123.08176	3.6
125.02444	3.3
125.06091	10.6
127.07687	3.5
135.04538	2.2
135.08220	1.9
137.06117	8.4
137.09714	4.4
139.03999	5.6
139.07671	6.8
145.02975	2.1
149.02452	2.1
149.06110	3.9
149.09721	1.8
151.04076	1.6
151.07703	9.2
152.99594	1.6
153.09256	1.8
154.80031	1.6
155.07162	86.8
156.07507	4.2
163.11273	4.3
164.04735	2.1
165.05598	2.6
165.09137	3.9
167.03539	3.0
167.07106	2.1
175.11465	1.7
177.05669	1.9
179.07088	3.3
181.05042	4.8
183.06700	8.3
191.10812	6.1
192.07858	2.4
193.05075	2.5
193.08701	6.9
193.12453	2.2
194.05830	3.0
195.06628	23.9
195.08289	2.1
196.07018	2.3
197.08173	2.1
205.08849	2.9
207.06712	2.4
207.10306	6.8
207.13930	2.7
209.08197	3.4
209.11852	11.2
211.06204	2.2
211.13416	1.8
214.04808	2.7
219.10362	3.4
221.08217	5.7
225.11353	1.9
227.12895	6.6
233.11914	2.1
235.09680	2.4
235.13336	12.6
236.13873	1.8
237.07690	10.3
243.10313	1.5
247.09746	1.8
249.11440	1.8
251.09100	1.8
251.12907	3.3
253.10843	3.1
261.11310	3.6
265.10950	3.8
277.14426	5.7
279.08768	4.3
279.12180	2.4
281.13992	2.1
283.02661	1.9
291.12167	2.4
293.14337	1.8
293.17621	4.9
297.13528	4.7
304.13147	3.0
305.13950	4.6
307.15463	4.7
320.18826	2.0
321.13394	3.8
321.17026	7.5
321.20236	3.5
329.17456	4.4
331.15469	6.5
332.16269	2.7
335.14993	36.0
336.15408	4.8
340.05554	2.0
347.18616	19.6
348.19073	3.1
349.16498	29.2
349.20361	2.0
350.17020	6.1
365.19733	24.6
366.20111	3.0
375.18243	3.6
377.15778	3.4
391.17059	9.2
392.18176	3.9
409.13025	4.4
409.18616	100.0
409.22382	18.5
410.18604	16.6
410.23560	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	409.1871
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
55.07021	0.5
57.03441	4.2
59.01383	6.0
59.80258	0.5
61.98814	1.6
68.99804	1.8
69.98734	3.4
71.04993	0.6
78.95924	0.5
81.03451	0.7
83.05026	2.0
85.02959	6.4
85.06595	7.7
86.86994	0.5
87.00888	5.4
87.04520	5.6
91.40090	0.5
95.05027	2.3
96.96017	0.7
97.02969	1.4
98.20577	0.5
99.04527	1.0
99.08136	0.8
99.42690	0.5
101.06113	0.7
109.02965	1.4
109.06575	0.8
111.00861	1.6
111.04533	19.6
111.05309	0.9
111.08186	0.9
112.04860	0.9
113.02435	1.2
113.06102	12.0
121.06606	0.8
122.03709	0.7
123.04520	1.2
123.08174	1.6
125.02464	2.9
125.06093	0.9
127.07639	2.0
135.08144	1.3
137.06088	2.0
137.09717	0.8
138.03302	0.6
139.04034	2.2
139.07677	1.6
141.01965	0.9
141.09198	0.8
145.24081	0.5
147.08147	1.0
149.06088	0.5
151.00383	1.3
151.04037	1.2
153.09187	0.6
155.07140	6.1
163.07584	0.8
163.11128	0.7
165.05589	1.7
165.09209	1.3
166.06310	0.9
167.03488	2.5
167.07201	1.2
167.10718	0.7
177.05586	3.2
177.09190	0.9
177.64592	0.6
178.06239	0.6
179.07121	2.1
181.05090	3.6
181.08611	0.9
182.05780	1.4
183.06641	16.0
184.06998	0.6
191.07120	1.9
192.07855	1.2
193.05051	1.2
193.08693	2.8
194.05806	2.7
195.06642	43.7
196.06967	2.3
198.05344	0.7
199.06183	0.9
203.10832	0.8
205.08742	0.7
205.12267	1.0
207.06616	1.4
207.10295	3.0
208.07401	1.2
209.08200	6.4
209.11836	0.9
210.08571	0.8
211.06133	1.5
214.04851	3.6
219.06654	0.5
219.10222	1.0
221.08223	2.0
221.11845	0.9
223.06046	0.6
235.09744	0.8
235.13377	0.9
237.07689	10.9
237.11317	1.3
238.08359	2.5
247.09660	3.3
251.09273	2.7
258.01730	1.3
261.11292	1.0
263.09412	0.7
265.10767	1.1
275.12787	0.8
277.14401	1.4
277.17996	0.6
279.08710	5.2
279.12335	1.5
279.15515	0.7
280.09128	0.7
281.13849	0.8
289.14380	0.6
291.12415	1.0
293.14310	1.0
293.17587	3.3
297.13412	1.0
303.12634	0.7
303.16064	0.9
305.14059	1.2
305.17487	1.2
307.15479	3.4
309.13443	0.7
321.13455	1.2
321.17032	9.7
322.17334	1.3
329.06717	0.8
331.15396	1.7
332.16019	0.7
333.17322	0.9
335.14987	23.3
335.19037	1.1
336.15314	2.7
347.18539	2.2
348.19308	0.8
349.16568	30.1
350.16782	3.0
361.16391	1.1
374.16953	0.6
375.18079	5.2
377.15884	4.1
391.17572	3.8
392.18405	4.6
393.18634	1.0
409.18643	100.0
410.18976	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	409.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03840	0.5
52.27292	0.5
56.56137	0.6
57.03440	1.0
59.01378	6.1
61.98830	2.3
63.17171	0.5
68.99810	0.6
69.78484	3.2
77.69450	0.4
78.95906	1.1
81.03465	0.8
83.05025	0.7
85.02957	3.7
85.06591	1.3
87.00891	1.3
87.04519	1.5
91.57526	0.6
95.05013	1.3
96.96065	0.9
96.96976	1.5
97.02938	0.6
97.06607	0.6
98.20674	0.7
101.06102	0.7
109.02946	0.6
109.06590	0.9
111.04534	4.7
113.06081	3.0
123.04511	1.2
123.08195	0.7
125.06103	2.2
125.09713	0.6
137.02524	0.9
139.04007	0.9
145.02983	0.6
147.08180	0.6
151.00325	1.0
151.07671	3.3
153.09213	0.9
155.07150	1.5
167.03474	0.6
179.07112	1.0
183.06618	2.0
193.08670	1.5
195.06679	3.0
195.10362	0.9
197.08211	5.4
199.04121	0.6
207.10240	2.0
211.04143	0.9
211.06107	1.9
211.09724	1.3
215.03488	0.7
221.08273	2.6
227.03320	0.9
230.02242	1.7
235.09824	0.8
239.03464	6.1
241.01392	1.7
242.02132	2.4
243.02985	6.5
244.03717	3.7
249.11365	1.2
253.10774	0.8
254.69984	0.5
255.03001	1.1
258.01630	2.4
271.02451	24.8
272.03113	7.3
277.08701	0.9
280.03757	1.4
283.02469	100.0
283.15424	1.3
284.02811	9.1
285.04065	0.7
293.04645	1.6
294.05182	2.3
295.02689	1.0
295.06113	6.1
297.04031	4.7
298.04471	0.6
304.02222	0.9
307.06104	5.9
309.04251	0.9
309.07605	11.0
310.07993	1.6
311.05530	2.8
311.09192	1.9
312.06152	2.9
319.19312	0.7
320.19446	0.9
321.04190	0.6
321.07648	5.6
321.19775	1.9
322.08197	0.8
323.05615	3.8
325.03674	0.6
325.07101	3.4
326.07962	43.3
327.08197	3.5
337.07272	2.6
338.07895	0.7
339.08658	5.9
340.05878	45.7
341.06177	5.8
349.16348	2.0
370.07019	1.8
373.20340	0.6
391.17297	1.7
391.21304	1.8
408.98959	0.7
409.13321	21.8
409.18497	4.4
409.22687	22.8
410.13550	3.1
410.22830	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	408.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20433	0.3
57.03459	0.7
59.01381	11.1
59.38963	0.3
60.01713	1.0
61.98832	100.0
67.30670	0.3
68.61874	0.3
70.03102	0.7
70.03513	1.0
71.01378	1.5
72.99328	0.3
73.02960	0.4
75.00881	0.5
83.05009	0.3
84.48432	0.3
85.02982	1.2
87.00892	0.5
89.02448	1.4
93.03480	0.6
94.79149	0.3
98.20547	0.4
101.02457	0.8
109.02983	0.4
111.04540	0.5
113.02450	1.1
119.03530	0.7
119.80313	0.3
125.02442	0.3
133.02881	0.4
133.06638	0.9
135.04570	0.9
137.02463	0.3
153.01941	0.4
161.02551	0.4
161.04648	0.3
165.01982	0.8
166.02264	0.4
173.04614	0.4
177.05611	0.3
179.03571	1.3
179.05685	0.8
180.04192	0.8
182.65118	0.3
183.10271	0.4
185.11848	4.3
186.12218	4.3
187.04001	0.4
191.05609	3.0
194.05833	0.4
195.06631	1.1
196.07056	0.3
209.08205	0.4
210.05312	0.4
225.07733	0.5
227.12907	0.3
228.13271	0.3
243.02870	0.4
247.09801	1.2
256.03537	0.5
258.04730	0.3
300.02692	0.3
330.10812	0.8
345.12738	0.4
360.15503	1.6
390.19870	0.3
408.08093	1.8
408.21255	0.9
409.18735	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	408.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82822	0.2
59.01378	6.4
61.98834	100.0
69.16856	0.3
69.96169	1.7
70.98360	0.4
71.01382	1.6
73.02967	0.4
80.90630	0.3
85.02985	1.1
87.00912	0.3
87.04520	0.4
87.41530	0.2
88.98837	0.6
89.02459	1.3
93.03479	0.4
93.96963	0.3
98.19962	0.5
101.02437	1.4
111.04591	0.6
113.02488	1.1
113.06133	0.5
113.75435	0.3
118.23835	0.3
119.03536	0.8
125.02489	0.5
135.04581	1.0
135.99907	0.3
143.03561	0.4
145.07782	0.8
149.02522	0.4
150.03032	0.3
151.00415	0.4
155.07204	0.4
159.09306	0.3
161.04576	0.4
165.05574	0.4
170.07307	1.1
173.04622	0.4
179.05624	0.4
179.07077	0.3
183.06668	1.0
183.13901	0.4
184.08865	0.4
184.14197	0.4
185.11909	0.4
187.13432	3.0
191.05617	3.5
192.05962	0.4
195.06656	0.8
198.10425	1.0
199.13438	0.4
200.13763	0.5
209.08304	0.3
214.09933	0.7
230.07578	1.2
245.13914	1.9
246.14244	2.8
247.14632	0.3
256.03607	0.3
277.16614	0.4
299.02103	0.5
300.02438	0.5
345.15863	0.4
349.18784	1.1
360.15414	0.5
364.13370	2.6
365.13889	0.4
408.08209	0.6
408.21500	1.5
409.18484	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20433	0.3
57.03459	0.7
59.01381	11.1
59.38963	0.3
60.01713	1.0
61.98832	100.0
67.30670	0.3
68.61874	0.3
70.03102	0.7
70.03513	1.0
71.01378	1.5
72.99328	0.3
73.02960	0.4
75.00881	0.5
83.05009	0.3
84.48432	0.3
85.02982	1.2
87.00892	0.5
89.02448	1.4
93.03480	0.6
94.79149	0.3
98.20547	0.4
101.02457	0.8
109.02983	0.4
111.04540	0.5
113.02450	1.1
119.03530	0.7
119.80313	0.3
125.02442	0.3
133.02881	0.4
133.06638	0.9
135.04570	0.9
137.02463	0.3
153.01941	0.4
161.02551	0.4
161.04648	0.3
165.01982	0.8
166.02264	0.4
173.04614	0.4
177.05611	0.3
179.03571	1.3
179.05685	0.8
180.04192	0.8
182.65118	0.3
183.10271	0.4
185.11848	4.3
186.12218	4.3
187.04001	0.4
191.05609	3.0
194.05833	0.4
195.06631	1.1
196.07056	0.3
209.08205	0.4
210.05312	0.4
225.07733	0.5
227.12907	0.3
228.13271	0.3
243.02870	0.4
247.09801	1.2
256.03537	0.5
258.04730	0.3
300.02692	0.3
330.10812	0.8
345.12738	0.4
360.15503	1.6
390.19870	0.3
408.08093	1.8
408.21255	0.9
409.18735	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	408.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
61.98830	100.0
69.59674	1.6
71.01382	0.3
85.02975	0.3
88.92870	0.2
95.54881	0.2
98.20581	0.3
108.79161	0.2
121.90070	0.2
126.15536	0.2
135.04640	0.4
151.00407	0.3
152.00656	0.2
159.04533	0.2
161.02437	0.2
162.02847	0.2
172.01183	0.2
184.10579	0.3
185.10919	0.2
191.05710	0.5
245.04541	0.4
246.04941	1.0
257.09314	0.4
335.17178	0.4
408.10422	1.1
409.18982	0.6
433.95758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.6
59.01364	0.7
63.41664	0.5
68.05991	0.5
69.03452	0.8
69.46954	0.5
69.47523	5.0
69.47845	0.7
71.01387	0.7
71.05038	2.5
72.64283	0.5
83.04996	0.6
85.02956	23.6
87.00878	0.9
95.01385	0.7
95.05047	0.6
98.03769	0.6
99.08175	6.8
100.08493	0.6
101.06083	2.2
111.04527	1.0
121.47416	0.5
123.00904	0.6
123.08177	0.9
124.01640	1.0
125.06105	17.7
125.09721	2.2
127.07679	3.5
137.02417	0.6
141.31297	0.5
149.09706	0.6
151.00388	0.9
151.07707	0.9
151.11359	0.7
152.04843	0.9
165.05571	0.7
169.08717	15.0
170.09105	0.7
173.09756	1.0
175.11282	1.1
177.09224	1.8
179.03540	1.9
180.07965	1.0
184.03368	0.5
185.09692	0.5
191.10866	0.6
193.12300	0.9
195.06615	5.0
196.06955	0.6
201.12848	0.7
205.08701	2.4
207.06575	1.8
208.07426	3.7
208.39665	0.6
209.08133	1.6
212.06871	1.4
219.14035	0.9
221.08215	1.8
237.14958	1.3
257.15421	1.7
259.13467	0.8
261.14862	1.3
263.12869	3.9
269.15695	0.8
285.18787	0.7
289.10818	1.3
303.19681	0.7
305.13916	2.3
307.11737	0.8
321.24927	0.6
327.19791	2.9
329.17645	0.6
345.20688	12.5
346.21039	1.9
347.18634	100.0
348.18973	13.8
363.21634	1.1
389.19675	8.0
390.20325	4.7
407.20724	3.5
408.20688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2077
Annotation	CHEBI:67682
Peak:m/z	Relative Intensity
50.23549	0.6
57.03447	5.6
59.01374	1.6
62.38583	0.5
69.03448	0.7
71.01362	0.8
71.05032	4.0
71.44735	1.1
83.05022	0.6
85.02961	26.1
86.03236	0.5
87.00890	1.1
93.03442	0.6
95.01413	0.8
96.78997	0.5
99.08176	8.4
101.06120	3.5
107.05093	0.7
111.00863	0.5
111.04523	1.2
121.06625	0.6
123.00903	0.8
123.08147	1.7
124.01682	0.7
125.06114	18.8
125.09728	3.3
125.10481	0.5
126.06456	0.8
127.07658	4.0
135.08163	0.6
136.05296	0.7
137.02444	1.4
139.03958	0.6
141.09274	0.7
147.08203	0.9
149.09749	1.3
151.00346	0.8
151.03944	0.7
151.07765	1.0
151.11325	1.1
152.04861	0.7
153.05600	0.7
165.05519	0.7
169.08730	22.0
170.09030	1.2
173.09708	1.1
177.09245	2.1
179.03471	2.0
179.10713	0.7
179.60353	0.6
185.09721	0.6
191.10764	0.8
192.21596	0.8
193.08691	0.8
193.12367	0.6
195.06650	4.4
195.10211	0.6
201.12894	0.6
204.57701	0.6
205.08748	1.9
206.09381	0.9
207.06693	0.8
207.10338	0.9
208.07402	3.3
209.08145	1.2
212.06949	1.8
213.07236	0.6
219.10217	0.9
220.10973	1.6
221.08221	6.5
237.14955	1.4
241.22423	0.5
243.13878	0.7
256.14709	0.6
257.15454	2.1
259.13202	0.7
261.14948	2.3
263.12897	3.3
274.15878	0.8
285.18561	1.3
289.10696	1.5
303.19525	0.8
305.14053	2.5
327.19580	3.9
329.17456	1.1
345.20737	17.9
346.21085	2.0
347.18658	100.0
348.18979	13.5
363.21674	1.2
364.22247	0.7
389.19666	10.7
389.24316	1.0
390.20358	6.7
391.20914	0.9
397.26392	0.7
407.20752	6.1
408.21188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2076
Annotation	CHEBI:67682
Peak:m/z	Relative Intensity
50.27187	1.3
51.05468	1.4
55.01883	2.0
57.03447	10.2
59.01365	2.7
59.96002	1.4
69.03433	1.5
71.05025	13.7
71.72032	1.5
73.02946	2.9
79.01911	1.9
81.03455	2.4
83.05028	1.5
85.02956	21.7
87.00890	2.4
87.04541	2.0
89.93703	1.3
98.03709	1.6
99.04531	2.4
99.08175	21.2
101.06079	12.1
107.04985	1.7
109.02963	1.9
109.06579	2.0
111.04523	4.1
113.49705	1.6
123.04543	2.6
123.08189	3.4
124.01661	2.8
125.02467	8.3
125.06096	25.7
127.07668	2.6
137.06145	1.7
137.09744	22.3
149.06171	1.5
151.00363	4.1
151.07701	1.5
152.04753	2.5
153.01965	2.5
153.09262	3.7
154.02705	3.7
155.10744	9.0
165.09235	15.6
169.08681	15.4
170.02180	1.6
179.03464	2.1
179.10747	2.7
180.00679	2.3
180.04288	3.3
181.01488	2.1
181.05054	3.0
181.08711	3.1
182.02220	14.5
183.10187	1.4
189.09091	1.5
191.07106	4.0
192.07872	2.0
195.06612	4.3
195.10233	5.9
205.08682	3.2
207.10364	8.3
209.08191	74.9
210.08560	4.2
217.12285	2.3
220.11003	5.8
221.08264	2.5
235.09694	3.7
237.14903	3.1
238.08461	100.0
239.08788	9.5
261.14990	8.3
263.12885	7.2
275.20108	5.0
289.17984	7.3
293.21140	1.5
303.19608	3.1
305.14005	2.8
307.19083	5.0
317.21094	1.7
319.19128	5.1
327.19498	2.7
345.20740	36.5
346.21042	5.9
347.18668	46.6
348.18884	6.7
363.21680	4.3
375.18161	10.3
376.18494	2.8
389.19815	19.6
390.20459	13.6
407.20724	35.2
408.21075	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	407.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88480	0.5
52.38539	0.5
57.03451	7.2
59.01381	1.1
69.47942	2.4
69.48370	2.6
83.05026	1.3
85.02965	33.9
86.03297	0.8
87.00882	0.8
93.03448	0.8
95.01385	0.6
99.08167	3.9
100.15557	0.5
101.06100	1.6
101.67354	0.4
105.07062	0.5
109.02991	0.6
109.06628	0.7
111.04544	2.0
115.24108	0.5
121.03033	0.7
123.00915	1.2
123.04530	0.7
124.01688	1.0
125.06111	16.7
125.09740	2.1
126.06448	0.6
127.07665	1.6
136.05344	1.1
137.02452	0.7
138.23915	0.6
141.49869	0.5
147.08197	0.8
149.09769	1.1
151.07697	0.8
151.11308	1.0
153.05630	0.5
165.01927	4.3
165.05580	1.0
169.07269	0.7
169.08725	14.1
169.10112	1.0
170.09111	0.6
173.09724	1.1
177.09235	2.6
179.10954	0.7
181.08667	0.6
184.21506	0.5
191.10780	1.3
193.12355	0.7
195.06650	4.0
201.12762	0.6
203.10825	0.6
205.08766	1.7
206.09555	0.9
207.06606	2.0
207.10191	0.8
208.07445	4.6
209.08134	1.8
212.06885	2.5
219.10245	0.5
219.13965	1.2
220.11124	0.8
221.08237	2.3
221.67163	0.6
233.15305	0.6
237.14975	1.6
243.13855	1.1
245.11865	0.7
257.15433	1.6
257.18500	0.5
259.13315	0.8
261.14990	2.8
263.12900	4.8
274.15781	0.8
285.18661	0.9
289.11011	1.0
302.04105	0.5
303.19489	1.0
304.13507	0.6
305.13870	2.6
327.19827	3.1
329.17548	0.8
345.20758	16.0
346.21219	2.4
347.18665	100.0
348.19006	12.9
363.21979	1.5
389.19720	12.0
390.20499	6.2
407.20731	5.3
431.53293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
58.00613	0.4
59.01381	92.3
60.01716	1.2
61.98844	0.6
69.03468	0.6
71.01391	2.8
72.99318	0.3
73.02920	0.4
85.02972	0.8
89.02464	1.7
95.01361	0.3
101.02444	1.7
106.67561	0.3
113.02476	2.6
116.76038	0.3
119.03509	1.7
131.31007	0.3
135.04478	0.6
139.11317	0.9
141.12834	0.5
151.00609	0.4
160.34976	0.3
161.04572	1.1
165.01949	0.4
165.12955	0.3
179.03558	0.7
179.05531	0.4
180.04192	0.5
183.13905	0.4
185.11848	100.0
186.12181	6.4
191.05566	0.4
195.06622	0.8
195.65840	0.4
195.86053	0.3
199.13481	0.8
209.11832	1.1
221.06664	0.4
225.07738	0.4
227.12923	1.7
229.72314	0.3
239.12956	0.4
243.03049	0.6
244.03336	1.1
245.03569	1.4
257.13971	0.5
347.17166	1.0
389.05368	0.5
407.08401	0.9
407.19522	3.3
408.20197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2078
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
55.01886	2.2
57.03447	11.4
59.01376	29.0
61.98830	3.9
68.48701	0.9
69.03464	2.0
70.87183	3.2
71.01385	3.5
71.05009	1.6
73.02959	2.9
78.44383	0.9
81.03482	1.9
83.01411	1.3
83.05037	3.8
85.02953	6.5
87.00887	4.7
87.04532	0.9
89.49865	0.9
93.03483	1.2
95.01408	1.6
95.05056	4.2
96.96019	7.7
97.02969	2.3
97.06582	2.2
99.04529	2.0
101.06102	4.5
103.18503	1.0
107.05077	1.7
109.02981	3.7
109.06625	2.4
111.00904	1.7
111.04523	5.0
111.08171	1.0
113.02450	4.9
113.06093	2.5
121.03008	1.1
121.06638	1.6
123.00902	15.3
123.04559	4.0
123.08183	2.0
124.01727	1.5
125.02433	4.4
125.06088	4.8
130.78830	1.0
135.04549	2.9
135.08243	1.8
136.01735	1.2
136.05331	1.3
137.02469	20.2
137.06097	4.7
138.03259	7.0
139.00510	1.4
139.04034	12.5
139.07681	2.5
141.05591	1.6
142.02684	0.9
149.02513	1.5
149.06163	2.4
150.03267	1.2
151.00516	1.2
151.04021	2.5
151.07664	2.6
152.04843	1.5
153.02037	1.6
153.05620	4.1
153.09242	3.9
155.07196	2.5
161.09746	1.0
165.05591	2.4
165.09303	1.6
167.03561	4.6
168.04364	1.7
169.05124	1.0
169.08804	1.9
177.05640	1.1
179.07176	2.1
180.04292	1.2
181.05013	2.1
181.08675	2.4
183.06631	4.8
191.10886	1.8
193.05124	2.4
193.12392	1.2
195.06624	1.8
197.08167	2.5
203.10867	1.3
205.12457	2.2
207.06638	1.6
209.08171	3.8
211.13466	1.2
219.10358	1.3
221.08174	1.3
225.07735	1.8
227.12907	1.6
235.09663	1.6
235.13440	1.4
237.11325	1.3
245.11804	13.3
247.13434	1.6
249.11237	1.3
249.14984	2.1
251.12981	2.1
257.15521	1.9
259.13428	8.2
261.11322	1.5
261.14987	2.1
263.12805	1.9
265.14511	1.8
267.03656	1.0
275.12891	3.2
275.16269	1.2
277.11340	1.6
277.14465	14.1
278.14832	1.8
279.12396	3.5
289.14548	2.2
289.21881	1.0
290.15298	1.0
290.21927	1.3
291.16119	4.4
291.22501	2.0
293.13959	17.7
294.14456	1.3
295.15405	1.7
301.14627	5.6
303.12439	1.6
304.16870	1.7
305.14078	2.8
306.11066	1.0
307.19351	1.4
308.12750	1.5
315.15900	2.2
317.14258	1.7
319.15503	11.3
319.18610	1.2
321.13425	12.4
322.13770	1.7
323.14957	8.8
324.15427	1.3
327.08542	5.3
329.17795	2.1
331.15683	3.0
332.16245	1.3
333.17215	2.1
345.21082	2.2
347.18649	8.5
363.21866	3.2
364.15308	1.6
365.19589	2.7
375.18359	1.4
389.19907	3.6
407.04324	3.3
407.08890	2.2
407.20886	100.0
408.21289	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
58.00584	0.9
59.01379	81.3
60.01708	0.9
61.98832	15.4
69.03454	2.0
71.01387	12.3
71.72047	0.9
72.99310	8.2
73.02947	6.5
75.00879	7.6
78.34652	0.5
81.03468	2.3
83.01387	3.9
85.02969	5.4
87.00896	1.3
89.02448	6.4
93.03499	0.7
94.08046	0.6
95.01406	1.8
95.05049	1.4
96.96045	0.6
99.00893	2.4
101.02449	10.8
101.06095	0.9
107.01450	0.6
109.02971	0.7
111.04541	2.4
113.02466	12.3
113.06135	3.7
119.03503	4.7
123.04553	0.9
123.08157	1.7
125.02479	4.2
125.06085	4.0
126.02808	0.5
129.01956	6.0
129.05547	1.1
129.25069	0.6
131.03540	1.2
143.03540	1.3
147.08170	1.0
149.02368	1.2
151.00359	0.7
152.04781	0.9
153.09256	0.8
159.02925	1.5
161.04599	4.2
165.09222	16.6
166.09566	1.0
167.03584	0.8
169.08749	0.8
171.10217	1.3
177.04088	4.4
179.05664	0.6
182.04607	2.3
185.11841	68.2
186.12172	3.9
191.05630	0.6
191.07147	1.9
209.08192	100.0
210.08528	7.9
214.02797	0.9
221.06602	1.1
227.03493	2.2
227.12923	1.8
233.08284	0.7
243.02896	1.6
251.09221	2.0
255.02930	7.7
256.03683	2.7
257.04309	0.9
257.13898	0.8
260.05573	0.9
260.29428	0.6
262.07019	0.9
283.02426	1.1
285.03885	1.2
291.10834	13.3
293.13953	0.6
344.09726	0.8
345.15744	0.9
345.19733	0.6
364.13834	0.9
371.08792	1.2
371.13431	15.2
372.13797	1.8
407.07825	12.8
407.21036	11.4
408.08139	2.4
408.15036	9.0
408.20914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15240	0.4
59.01379	86.9
60.01707	1.1
60.67167	0.4
61.98836	0.4
69.03443	0.5
69.63877	1.2
69.64310	1.6
71.01386	1.9
72.26487	0.3
85.02957	0.7
86.13374	0.3
86.27178	0.3
89.02446	1.1
101.02465	1.3
112.69451	0.3
113.02450	2.0
113.47729	0.3
119.03530	1.2
125.49603	0.3
139.11348	1.0
141.12888	0.4
161.04593	1.1
185.11850	100.0
186.12183	7.1
199.13431	1.1
209.11757	0.6
227.12889	1.9
243.02917	1.2
244.03223	0.7
245.03482	1.8
347.17136	1.1
365.52173	0.4
407.08563	0.7
407.19403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58972	0.3
56.61723	0.3
57.03447	0.8
59.01381	39.2
59.54307	0.2
60.01712	0.4
61.98833	3.8
64.86323	0.3
71.01389	2.1
71.05358	0.6
71.05707	0.4
71.67661	0.3
73.02965	1.1
73.63606	0.3
83.01406	0.6
85.02968	1.8
89.02457	1.6
93.03453	0.4
95.01442	0.4
96.02061	0.3
99.35425	0.3
101.02459	1.9
113.02492	1.8
121.02986	0.4
123.04549	0.4
125.02511	0.3
125.06149	0.6
128.31128	0.3
131.03442	0.4
133.02946	0.5
135.04543	5.9
136.04982	0.4
137.02518	0.3
141.12886	0.6
150.42410	0.3
151.00395	0.5
153.09229	0.6
158.03792	0.3
161.04593	0.8
165.12872	3.6
167.10857	0.4
171.10272	0.9
173.04602	0.5
177.01942	0.5
178.99951	0.3
179.03503	3.3
183.13918	25.9
184.14264	2.3
185.11845	65.7
186.12164	3.9
191.05608	4.1
192.06049	0.3
197.08253	0.6
199.03868	0.5
202.02754	0.8
203.03394	0.3
207.13907	0.8
209.11777	0.5
227.03471	0.7
227.12901	6.8
241.01544	0.4
242.02237	0.7
243.03001	1.2
245.13931	100.0
246.11452	1.0
246.14267	7.9
251.12842	1.9
255.02995	1.2
256.03833	0.3
261.03906	0.5
270.01685	0.9
271.02405	1.4
272.02841	0.5
281.14017	0.5
287.15060	2.3
289.07181	0.4
295.44742	0.3
299.01990	2.5
300.02563	0.7
301.03522	0.7
305.16080	1.0
317.06229	0.4
347.17346	0.5
353.08780	0.6
354.89343	0.3
363.22000	0.5
365.19699	0.4
407.07999	1.6
407.19803	13.9
408.20044	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	407.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.4
57.03448	44.3
58.00578	1.5
59.01085	2.1
59.01380	34.3
61.98833	7.0
68.99790	1.5
69.03464	4.1
71.01389	9.3
71.05030	8.6
72.99304	2.7
73.02947	15.7
80.02635	1.3
81.03468	2.5
83.01409	2.0
83.05036	9.9
85.02959	54.3
85.06602	14.9
87.00879	18.3
87.04523	49.8
93.03462	2.0
95.01377	3.8
95.05029	4.6
97.06593	5.1
99.04545	3.5
99.08186	4.7
100.01688	1.3
101.02460	4.7
101.06094	28.2
107.05037	1.9
109.02966	3.1
109.06605	6.0
111.00860	1.8
111.04533	20.3
111.08198	7.9
113.02455	3.0
113.06103	13.2
115.04024	4.6
121.02969	1.3
121.06615	2.1
122.03710	1.5
123.00867	1.6
123.04532	3.7
123.08176	5.0
124.01615	1.4
125.02454	4.8
125.06101	17.3
125.09726	5.1
127.07681	5.8
128.04793	3.0
129.05614	6.3
133.06613	1.5
135.08165	3.8
137.02454	4.8
137.06090	4.3
137.09727	3.6
138.06693	1.5
139.04041	3.1
139.07652	1.6
141.05602	4.4
141.09328	1.4
143.07155	4.5
147.08121	2.0
149.06079	1.8
149.09773	1.9
151.00354	1.9
151.04077	1.4
151.07686	1.9
153.05603	3.8
153.09216	10.0
155.07173	15.1
161.09737	2.3
163.07674	2.0
163.11313	3.3
165.09171	1.7
165.12862	15.8
166.13165	1.6
169.05037	3.6
169.08742	11.6
171.10269	5.5
177.09190	2.2
179.07132	1.7
179.10661	1.3
181.05109	5.5
181.08577	1.5
181.12344	10.7
189.05615	2.1
191.07224	2.0
191.10791	7.0
193.08638	3.0
193.12361	5.0
195.06677	3.9
197.08171	12.1
204.07849	3.0
205.08693	3.2
205.12369	8.8
207.10254	5.1
209.08209	21.2
209.11827	27.1
210.12215	1.9
214.04681	1.5
219.13873	2.9
221.08049	1.8
223.13469	4.4
233.11806	3.5
235.09723	1.7
235.13341	2.7
247.13374	2.5
251.09050	2.4
251.12939	1.4
253.10805	33.3
254.11140	3.7
256.03693	2.7
257.04330	1.2
263.12827	1.8
265.10944	1.7
265.14420	2.6
267.12338	2.7
275.12900	15.1
277.10916	3.1
277.14386	4.5
281.13956	13.6
293.13882	1.6
293.17468	1.7
295.11838	5.2
295.15045	1.6
303.15921	2.5
305.13998	1.7
306.14673	1.5
309.13467	4.8
319.11975	2.8
319.15344	3.3
321.20731	3.1
323.11420	1.6
327.08713	4.3
335.15045	2.3
337.12860	16.8
337.16608	12.5
338.13251	3.1
338.16974	2.2
344.08545	4.2
347.18591	4.4
348.19205	3.1
361.20251	3.2
363.18030	12.0
363.21954	4.2
365.15704	8.1
365.19736	5.1
379.17554	5.2
389.19846	3.5
407.08142	4.1
407.16772	46.2
407.20782	100.0
408.17236	4.8
408.21790	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	407.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
57.94646	0.2
59.01125	0.2
59.01384	2.7
61.98814	0.5
63.27953	0.2
65.00321	0.3
69.03459	0.3
69.70937	1.2
71.01360	0.5
81.03466	2.4
83.01380	0.7
85.02962	0.3
95.01385	0.2
95.60024	0.2
99.08178	0.6
101.06094	0.4
103.88252	0.2
107.01389	0.2
113.02486	0.3
121.02962	0.4
123.08189	1.4
125.02466	4.5
125.06100	2.9
126.02747	0.3
132.20801	0.2
136.05315	0.4
141.09216	0.4
147.08177	0.6
149.02458	0.5
150.03241	0.4
151.00401	1.2
152.01135	0.2
161.04526	0.2
165.05550	0.5
165.09225	19.3
166.09605	1.2
167.07130	0.3
169.05205	0.2
177.09288	0.2
185.11885	1.2
191.07162	1.5
197.08199	0.2
205.08684	0.2
209.08197	100.0
210.08537	7.2
233.08180	0.5
243.02966	0.3
244.06458	0.2
251.09229	0.7
255.03030	0.7
256.03580	0.3
283.02744	0.2
285.17099	0.2
371.13498	14.8
372.13742	1.8
407.07635	0.9
407.21033	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	407.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12006	0.1
51.43458	0.2
57.03449	0.3
57.91578	0.1
58.01752	0.1
59.01385	1.4
59.60276	0.2
61.98818	0.4
65.00331	0.4
68.93428	0.1
69.71018	0.9
71.01358	0.2
71.28067	0.1
73.02962	0.4
81.03468	2.3
83.01400	0.6
85.02934	0.2
90.79758	0.1
98.19840	0.2
99.08167	0.4
101.06126	0.5
107.01402	0.5
109.02967	0.2
111.04569	0.2
121.02975	0.1
122.03767	1.2
123.04552	0.2
123.08171	1.3
125.02464	5.5
125.06092	2.6
126.02805	0.2
135.00851	0.3
136.01100	0.1
137.02446	0.2
141.09253	0.3
141.60831	0.1
149.02463	0.6
151.00383	1.3
152.01120	0.2
153.01978	0.3
155.02365	0.2
163.92014	0.2
165.09222	20.5
166.09564	1.4
167.03561	0.4
167.07198	0.2
185.11844	0.4
191.07133	0.6
197.08104	0.2
205.08711	0.2
209.08197	100.0
210.08533	6.8
210.10092	0.1
233.08214	0.4
251.09262	0.9
255.02843	0.2
371.13474	14.9
372.13800	1.7
406.21793	0.2
407.07809	0.8
407.16663	0.2
407.21054	1.8
408.20959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
60.62101	0.2
61.98835	100.0
62.98516	0.2
63.93214	0.2
65.00346	0.3
69.78679	0.6
69.79111	0.7
71.01404	0.4
74.77802	0.2
83.01409	0.2
87.40245	0.2
88.85100	0.2
89.02480	0.4
98.19945	0.2
101.02470	0.5
117.37027	0.2
119.03591	0.2
125.02490	0.7
135.04546	0.3
137.02470	0.3
137.06102	1.2
149.02496	0.3
151.00401	0.3
154.68629	0.2
159.04535	0.4
161.02509	0.2
177.05588	0.2
181.05087	4.9
182.05489	0.4
191.03526	4.9
191.05434	0.3
201.05615	0.5
213.05481	0.3
243.02837	0.4
244.03360	0.7
245.04544	1.8
255.03152	0.3
256.03491	0.5
257.04428	1.0
258.04865	2.1
259.05203	0.2
285.04086	1.6
286.04410	4.5
287.04794	0.2
298.04611	0.6
315.05228	0.4
316.05438	1.2
343.10410	1.2
347.17291	0.4
371.09995	2.1
406.08682	4.6
406.13788	0.4
407.09790	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	406.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
61.98833	100.0
65.50474	0.6
69.54662	3.0
69.55087	2.0
85.02961	2.3
98.20593	1.2
99.08180	0.8
111.04531	0.5
117.72645	0.5
125.06137	2.9
169.08728	1.6
184.33803	0.6
221.08020	0.7
248.60121	0.6
295.82870	0.7
305.14120	0.6
322.14185	1.4
343.19095	1.9
345.20691	1.3
347.18671	10.5
389.19708	2.5
407.14893	0.8
407.20038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40100	0.1
57.03447	0.3
59.01378	1.4
61.98830	1.5
63.02399	0.9
65.00327	4.6
66.00647	0.2
69.85248	0.8
71.01384	0.4
73.02959	0.3
83.01394	4.2
85.02976	0.3
89.02436	0.3
93.03461	1.5
97.95327	0.1
107.01407	7.1
113.02446	0.2
116.92208	0.2
116.92905	1.2
117.01997	0.2
117.03486	2.9
122.64057	0.1
125.02472	1.9
125.88893	0.2
128.51396	0.1
131.05060	0.9
135.04552	3.8
136.04834	0.2
137.02473	1.0
145.03030	0.2
149.02461	0.4
151.00392	14.1
152.00731	0.3
157.06609	1.4
158.03754	0.6
159.04538	9.4
160.04875	0.4
161.02464	8.7
162.02855	0.4
169.01433	0.4
173.06056	0.3
175.04018	0.3
177.05574	2.9
183.04541	1.1
183.10312	0.2
185.02440	0.4
187.00323	0.2
191.05620	0.2
201.05594	6.6
202.05914	0.4
203.03497	0.3
227.03510	2.5
228.03893	0.2
241.05042	0.5
243.02962	0.2
245.04546	100.0
246.04886	8.3
259.06482	0.2
269.04562	0.5
287.05658	1.5
347.17535	0.2
407.09933	2.7
407.19098	0.3
408.10275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
55.99435	0.4
59.01379	4.3
59.88254	0.4
60.87981	0.4
61.98841	0.8
63.02393	1.6
65.00327	7.2
69.03447	0.7
69.96648	1.7
71.01377	1.1
73.02939	0.6
78.54932	0.5
79.01904	0.6
81.03459	1.6
83.01394	6.3
85.02940	0.5
89.02459	1.2
93.03472	4.7
95.01405	1.1
97.02967	4.7
101.02454	1.2
107.01403	9.0
109.03004	0.5
112.89723	0.4
113.02448	0.8
116.92870	2.9
117.03486	8.2
119.03469	0.5
121.02964	1.0
123.00942	0.6
125.02470	12.6
131.05026	2.6
135.04546	9.0
136.04900	0.5
137.02486	3.6
143.04971	0.5
145.03004	0.8
145.06601	0.5
149.02455	1.5
151.00388	15.4
152.00836	0.6
155.03537	1.3
156.05894	0.5
157.06572	1.9
158.03754	1.5
159.04539	16.1
160.04915	0.8
161.02467	18.9
162.02759	0.9
163.00421	1.1
165.01865	0.8
167.03479	0.5
171.04517	1.3
171.08150	1.7
172.05313	1.3
173.06110	2.3
177.05595	4.1
183.04514	1.5
185.02618	0.6
187.00356	0.8
193.01474	1.7
197.06122	0.8
199.04015	0.7
199.07655	0.6
200.04761	1.7
201.05571	9.7
202.05963	0.7
203.03560	0.9
213.05484	0.6
215.07085	2.8
217.05031	0.5
219.06631	1.2
225.05644	0.8
227.03413	2.5
241.05011	0.8
243.03038	1.0
243.06554	2.5
245.04549	100.0
245.17593	1.5
246.04904	8.9
257.04550	2.5
259.06094	0.9
269.04428	0.6
287.05609	56.8
288.05905	5.3
299.05688	0.5
317.06683	11.4
318.07022	1.5
347.17267	0.5
407.09930	5.1
408.10056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95931	0.4
57.03452	1.2
59.01382	6.8
59.33910	0.5
61.98834	100.0
63.99267	0.7
71.01382	2.8
71.72659	0.8
73.02953	0.6
85.02959	3.8
87.00896	2.1
87.04540	0.9
88.98825	1.1
89.02479	1.3
95.01440	0.5
96.96046	2.3
98.09679	0.4
101.02474	1.2
101.06117	0.5
107.01404	0.4
109.02988	1.7
111.04535	1.1
113.02431	1.2
125.02467	1.2
125.06126	1.0
127.07687	0.6
137.02481	0.8
149.06047	0.7
151.00404	0.9
153.02007	0.7
153.09293	0.5
153.12924	0.6
163.00406	1.0
165.09270	0.4
169.08754	3.4
173.33751	0.4
178.99870	0.9
183.06660	2.2
185.11911	0.5
197.33743	0.4
201.53885	0.5
206.99437	0.8
209.08208	2.4
243.02762	1.0
244.03499	0.7
244.12767	0.5
250.30371	0.5
255.03001	1.7
256.03720	1.0
257.04623	1.4
265.70462	0.4
277.14484	2.8
285.04239	0.5
288.02676	0.6
295.69708	0.4
302.85629	0.4
305.14240	0.5
317.03091	2.3
323.14868	0.8
327.08707	3.6
347.18472	0.6
363.21646	0.5
373.06833	0.7
375.13831	0.8
389.19882	0.8
405.21481	0.8
406.09067	0.8
406.22205	2.6
407.08240	2.5
407.21002	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	406.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03448	3.5
59.01374	4.3
61.98829	100.0
69.67842	3.5
71.01423	0.7
71.05029	1.1
72.99345	0.5
73.02950	1.0
83.05055	1.0
84.53181	0.4
85.02959	3.0
85.06604	1.0
87.00878	1.5
87.04521	1.0
95.01403	0.9
96.96053	0.6
97.02975	0.8
99.08167	3.5
101.02452	0.6
101.06083	2.2
109.02963	0.6
109.06601	1.0
111.00884	0.5
111.04520	3.5
111.08152	0.5
113.02465	0.6
113.06078	0.5
114.24154	0.6
123.00937	0.7
123.08205	0.5
125.02499	0.9
125.06084	3.1
125.09747	0.8
125.37129	0.4
127.07681	0.7
129.76842	0.5
130.55106	0.5
137.02502	1.2
137.09740	0.7
137.30785	0.5
138.70515	0.4
149.16951	0.4
153.09251	1.3
169.08751	1.2
181.05042	0.7
181.12518	0.6
183.06686	1.0
193.12668	0.5
197.08273	1.8
199.09807	1.0
207.10313	1.5
208.07413	0.5
209.08156	3.5
209.11873	1.0
221.08351	0.5
225.11423	1.5
243.03093	0.5
244.07109	0.6
253.10881	1.4
255.03125	0.5
256.03741	0.8
257.04672	1.0
258.04984	0.6
266.14862	0.6
277.14578	1.1
281.13947	1.0
283.02490	3.1
284.03232	1.1
285.04031	7.3
285.07010	0.7
286.04630	1.1
289.21869	0.6
290.22147	1.4
291.19632	1.0
293.13837	0.5
294.14368	0.7
305.13968	0.8
307.06174	1.8
307.19141	2.3
321.13345	0.9
323.15097	1.4
325.07150	1.9
327.08856	0.9
343.08243	42.3
344.08560	5.3
347.18646	3.7
361.20337	0.7
363.18073	1.0
363.22012	0.7
364.18759	0.7
365.19736	0.9
389.19971	1.3
405.19211	1.1
406.08627	1.2
406.19519	5.9
407.20901	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
57.03439	2.6
59.01380	4.9
61.98835	32.9
70.05199	3.8
71.01391	1.1
71.05023	1.4
83.01380	1.2
83.05027	0.8
85.02965	12.1
87.00887	6.5
95.04996	0.8
96.95998	1.5
97.02957	0.8
98.19978	0.8
99.04540	0.8
99.08154	2.8
101.02495	1.0
101.06110	2.4
103.94604	0.8
107.05013	1.3
109.02998	1.0
109.06629	1.2
111.00887	1.9
111.04520	2.1
113.02446	0.9
123.00891	0.8
123.04543	1.0
123.08178	1.1
125.02460	1.9
125.06118	7.2
126.06400	1.0
127.07699	1.8
127.45612	0.7
137.02434	1.7
137.06090	1.7
137.09660	0.9
139.03964	0.9
139.07677	1.2
139.21523	0.7
151.04001	0.9
152.14514	0.8
163.11401	1.3
165.09200	1.5
167.03508	0.8
169.08745	10.4
171.10208	0.8
191.07158	1.6
193.12416	0.8
195.06561	2.2
196.07210	0.8
197.08202	1.8
197.11807	0.9
209.08208	17.8
214.02835	1.1
219.13947	1.8
223.03960	1.0
223.06139	0.8
224.06868	1.0
225.07707	1.0
227.03609	1.3
227.09245	1.6
228.04341	1.2
237.14865	1.7
242.02203	19.9
243.02913	10.5
255.02933	5.9
256.03754	7.7
257.04538	4.5
258.01715	3.7
267.02982	13.6
271.02481	4.5
279.02930	1.1
285.04059	2.1
294.05316	1.5
305.14056	0.9
309.07657	4.4
318.62991	0.8
321.17181	1.5
325.07300	1.2
327.08755	26.8
331.19061	1.1
343.08243	100.0
344.08563	11.8
345.20630	1.6
347.18549	1.3
355.26666	0.8
363.21844	2.1
364.18594	4.2
389.19638	2.0
405.18692	1.7
405.23169	1.7
406.19113	17.2
406.23108	2.8
407.04059	2.2
407.20862	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	406.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97678	0.8
57.03456	3.5
59.01365	1.7
61.98833	38.5
62.10319	0.7
68.32264	0.7
71.05014	2.5
77.26318	0.7
81.29798	0.8
85.02959	2.3
87.00927	0.9
97.06543	0.7
101.06097	1.5
103.65288	0.8
125.06033	1.0
137.02409	1.1
138.68993	0.7
139.04027	1.3
151.11284	0.9
169.08751	1.1
181.04987	0.7
189.50102	0.7
191.10832	1.0
207.10342	0.9
209.08134	2.4
214.02652	1.1
220.17799	1.3
222.15752	2.0
242.02200	25.9
243.02824	4.9
255.02780	1.0
256.03888	1.9
257.04526	1.2
267.02960	3.4
277.14456	1.0
281.13736	0.8
285.04041	6.4
286.04251	0.8
289.21823	1.3
290.22064	3.1
323.15024	1.4
325.07297	3.7
327.08658	1.2
333.20477	3.4
334.20996	13.0
335.21375	1.3
343.08243	100.0
344.08591	12.8
406.19519	1.3
407.20935	15.5
420.98849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.4
57.68327	0.3
59.01381	100.0
60.01716	1.0
61.98839	1.8
62.48443	0.3
68.99825	0.6
71.01402	0.5
71.05045	0.4
71.09502	0.7
71.09839	0.3
79.05572	0.3
79.38494	0.3
83.05050	0.5
85.02972	0.9
85.06600	0.7
87.00885	5.5
87.04544	0.5
91.04045	0.8
93.03477	0.3
95.01391	0.3
95.05050	1.9
97.02946	0.7
99.08199	0.5
101.06117	0.7
109.06615	1.7
111.00906	0.4
111.04536	0.4
111.08167	0.4
113.06130	0.9
121.06632	0.3
122.03780	0.4
123.00845	0.3
123.04507	0.4
124.01711	0.3
124.05316	4.6
125.02473	0.4
125.06104	3.0
135.04480	0.3
137.02460	3.6
137.06096	4.9
137.09760	0.6
138.06425	0.5
139.07675	5.6
140.08025	0.3
141.01993	1.2
141.05591	0.5
141.09203	0.3
146.61417	0.3
149.06105	0.3
151.07535	0.3
153.01938	1.3
167.03484	1.3
167.07143	0.3
179.07169	0.4
179.10841	0.3
181.05162	0.8
181.08765	0.5
181.12369	0.3
183.06696	0.9
191.10677	0.3
193.12460	0.5
195.06653	7.5
196.07059	0.5
197.08232	0.7
207.10239	0.4
211.09723	1.6
215.31705	0.3
221.08252	0.4
221.11858	1.0
224.87598	0.3
225.07710	3.0
228.06499	0.8
233.08298	0.3
235.09694	0.3
243.03072	0.3
271.17151	0.3
271.22806	2.2
272.23090	0.3
273.14883	0.7
276.13623	1.6
277.14481	0.4
289.21802	0.8
293.14096	0.8
315.16125	0.8
317.14203	0.5
317.17587	4.7
318.17908	0.4
333.20645	0.4
345.17154	0.4
373.20395	0.4
375.17932	0.4
375.22232	0.4
377.19727	0.4
384.75943	0.3
387.18155	0.4
405.19144	11.3
405.23047	10.3
405.27078	1.4
406.19498	2.0
406.23956	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	405.2286
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.01867	0.8
57.03448	0.8
59.01391	2.3
61.98833	1.2
62.77232	0.6
65.13126	0.6
65.34222	0.6
69.03452	0.8
69.53759	5.1
69.54184	0.9
71.01395	1.1
71.05033	1.0
75.00916	0.8
79.01893	1.3
80.65119	0.6
83.05051	1.0
85.02987	1.5
87.00868	1.0
91.89771	0.5
95.01454	0.9
95.05057	1.7
97.03028	0.8
99.08174	1.5
101.06099	1.9
108.02155	1.0
109.02997	1.3
109.06653	1.4
111.00902	1.4
111.04569	3.6
121.06562	1.3
122.03786	1.0
123.04588	0.7
123.08221	1.4
124.01717	2.1
125.02480	1.9
125.06111	9.2
127.07722	0.7
135.08203	1.4
137.02460	12.3
137.06134	0.9
137.09711	1.1
139.04102	1.3
141.01988	1.1
147.08157	0.7
149.06148	0.8
151.00404	1.9
151.04094	2.1
151.07707	0.8
152.04831	0.8
153.09288	1.1
155.07211	2.3
165.05630	1.4
165.09244	1.0
166.02754	1.1
167.03542	0.8
169.08757	0.7
177.05624	0.8
179.07159	0.8
180.07948	1.7
181.05202	0.8
181.08688	1.5
183.03027	1.2
191.07161	1.2
191.10681	0.9
192.08003	0.8
193.05144	0.8
193.08777	3.6
193.12430	1.1
195.06670	2.4
196.07454	0.9
197.08299	2.7
205.08826	0.7
207.06679	1.5
207.10147	0.7
208.07396	5.2
209.04543	1.2
209.08218	10.5
210.08522	1.2
211.09811	4.6
212.06923	2.6
221.08234	9.1
222.08739	1.1
225.07759	2.2
233.08197	10.5
234.08665	1.3
235.09785	1.5
237.07568	0.7
238.08487	1.0
245.11809	0.9
249.15063	1.0
251.09329	0.7
260.14197	1.0
271.17255	0.7
273.14957	1.1
276.13699	3.3
277.11285	1.1
277.14432	10.3
289.14438	0.7
289.21771	1.5
304.13202	0.9
314.15201	0.9
315.16159	1.9
317.14041	0.9
322.14371	2.2
329.21127	3.6
330.21823	0.8
331.22668	0.8
333.20892	1.0
336.15674	1.2
345.20795	5.8
346.21246	1.1
355.19733	0.8
361.20135	1.1
361.24219	0.9
373.20212	5.6
375.22113	1.4
387.17752	1.1
387.22046	2.3
405.23029	100.0
406.23718	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	405.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01388	0.8
61.98837	1.0
68.99829	0.6
71.01379	0.6
85.02965	0.6
85.06599	0.6
85.11660	0.5
87.04506	0.6
95.01472	0.6
95.05070	0.8
97.02971	1.2
105.95815	0.5
109.02962	0.5
111.04554	2.2
115.21651	0.4
123.04575	0.6
123.08178	0.6
124.01707	1.1
125.02442	0.6
125.06091	2.4
135.08191	1.4
137.02469	13.5
139.04024	1.7
151.04024	3.4
151.11293	1.2
165.01849	0.9
165.09242	3.4
166.02745	0.8
167.03532	1.7
169.05116	0.5
169.08641	0.6
177.01962	0.8
177.09206	0.8
179.03552	1.3
180.04301	0.8
193.08751	1.0
193.12349	0.8
197.08144	0.6
203.07114	1.5
207.06648	5.4
208.07439	3.2
209.08203	55.2
210.08525	3.1
211.09822	1.0
219.17552	0.7
221.08199	36.7
222.08710	4.3
223.09738	0.6
229.39874	0.5
235.09787	1.7
271.17157	0.7
275.09189	0.7
276.13644	3.5
277.14130	0.6
279.12384	2.5
289.21704	3.4
304.13129	1.2
305.13812	0.5
316.16385	0.5
317.14038	0.6
321.13324	0.7
333.20929	1.3
336.15765	5.3
345.20828	2.0
373.20233	13.5
374.20404	2.5
405.22919	100.0
406.23282	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	405.2285
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.01881	1.5
57.03448	1.4
59.01384	2.9
61.98831	2.1
68.99835	2.3
69.03457	0.5
71.01392	0.9
71.05032	0.7
71.09568	1.0
73.02948	0.5
81.03467	0.9
83.01405	0.7
83.05028	0.9
85.02966	8.5
87.00888	1.8
95.01382	0.6
95.05053	1.6
97.02970	2.1
97.06602	0.4
99.00914	0.6
99.08148	0.6
101.06104	1.0
107.05057	0.5
109.02987	1.8
109.06608	5.0
111.00925	0.8
111.04561	1.2
113.02470	3.4
119.73186	0.4
120.05859	0.8
121.06605	0.7
122.03735	0.4
123.00879	2.4
123.04559	0.5
123.08214	1.0
124.01716	0.9
124.05270	0.4
125.02451	0.9
125.06115	19.7
125.09766	0.8
126.06460	1.1
127.07689	1.3
133.06592	0.8
135.04648	0.3
135.08182	6.5
136.05309	0.6
137.02477	5.5
137.06113	1.1
137.09747	2.5
138.03207	0.7
139.03987	0.6
139.07683	1.6
140.01257	0.5
141.01971	11.0
141.05606	0.4
147.08148	0.4
149.06117	0.9
149.09755	0.5
151.04048	0.8
151.07674	4.7
153.01985	0.4
153.05522	0.5
153.09262	1.5
165.09261	0.5
167.03459	0.7
167.10818	0.6
169.08766	2.1
169.12384	0.4
179.07205	1.6
179.10815	0.5
180.04253	0.6
181.05115	0.9
181.08743	1.6
183.06628	1.7
183.10304	2.3
185.11923	0.5
189.09196	1.8
193.08708	0.7
193.12379	1.3
195.06619	3.5
196.07224	0.4
197.08211	40.4
198.08565	2.9
201.26346	0.4
207.10223	0.4
209.08176	2.5
210.05354	0.4
211.09746	3.1
221.11852	0.4
224.06825	0.9
225.07701	25.0
225.14963	0.4
226.08020	2.3
228.06403	2.0
237.07640	0.9
237.11273	0.5
249.11351	0.6
251.09227	1.0
261.14972	0.5
273.14960	0.6
276.13663	1.3
277.14413	1.4
288.17334	0.5
293.13974	0.4
305.13916	0.5
315.16098	1.4
317.13950	0.4
317.21121	0.6
330.48047	0.4
335.18726	0.5
355.19342	1.7
356.19339	0.5
363.18179	2.3
364.18469	0.4
373.20227	4.6
374.20660	0.8
405.18909	26.2
405.22900	100.0
406.19366	3.9
406.23212	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	405.2285
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
57.03449	0.7
59.01368	1.4
61.98811	0.5
71.01389	0.5
71.72849	0.6
79.01894	0.6
85.06604	0.7
87.04507	0.4
95.05032	0.9
98.86492	0.3
101.06107	0.4
111.04538	1.7
116.74326	0.3
121.06606	0.4
123.04517	0.7
123.08118	0.4
125.02462	0.6
125.06088	0.9
128.81436	0.3
137.02467	4.0
137.09727	0.7
138.03239	0.4
139.04019	1.2
149.06102	0.5
151.04044	4.4
164.50507	0.4
165.01921	0.7
165.09230	1.8
166.02690	1.1
167.03552	0.7
173.62790	0.3
177.01918	0.7
177.09288	0.4
179.03468	0.5
193.05058	0.9
193.08710	0.9
193.12398	0.5
197.08162	0.8
203.07045	2.0
207.06668	4.8
208.07420	3.1
209.08202	24.1
209.15504	0.4
210.08511	2.3
211.09756	1.7
221.08200	63.5
222.08607	5.4
235.09764	4.8
236.10223	0.6
247.09698	0.8
249.11263	0.5
263.09247	0.6
265.10831	0.4
266.11594	0.8
273.14948	0.8
276.13760	1.3
277.14374	0.9
279.12366	4.8
280.13031	0.6
289.21722	0.6
293.10373	0.7
293.13846	0.9
315.16135	0.7
317.14029	0.5
319.15570	1.5
322.14331	0.6
335.14929	0.6
336.15768	11.3
337.16046	1.8
345.20728	0.5
361.20422	0.5
373.20215	1.3
375.22131	0.7
387.21677	0.5
399.39307	0.3
405.22855	100.0
406.23306	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	405.2285
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.01889	0.7
57.03451	1.4
59.01387	1.1
61.98841	0.5
68.99834	0.7
69.42525	0.6
69.42928	1.7
71.01386	1.9
71.05020	0.2
81.03471	1.0
83.01397	0.4
83.05057	0.5
85.02968	0.3
87.00903	0.9
93.03436	0.4
95.01396	0.4
95.05044	6.2
97.02962	0.8
97.06612	0.8
99.00919	0.3
107.05064	0.3
108.02211	0.4
109.02970	0.9
109.06586	1.1
111.00890	0.6
111.04518	0.3
113.02432	0.3
121.06615	1.8
123.00954	0.4
123.04533	0.7
123.08206	1.1
124.01699	1.9
124.05316	0.3
125.02486	1.1
125.06098	7.3
126.06399	0.2
127.04005	0.3
135.08180	0.7
137.02467	32.4
137.06085	0.6
137.09752	0.7
138.02846	0.9
139.04025	0.7
139.07681	0.6
140.01152	0.3
141.01949	2.1
141.05617	1.7
148.05284	0.2
149.06099	3.3
149.09726	0.4
150.06416	0.3
151.04021	3.7
151.07634	0.6
152.04572	0.2
153.01953	0.6
153.09163	0.3
163.11295	0.4
169.08746	0.4
175.11266	0.4
177.12894	1.1
179.07158	0.6
181.05150	0.4
181.08684	1.4
182.75255	0.2
183.06612	1.4
189.05496	0.3
191.10828	1.3
193.12363	3.5
195.06653	1.9
196.07440	1.4
197.08189	2.0
201.12849	0.5
203.10844	0.4
207.06624	0.5
209.08250	2.1
209.11848	0.4
211.09760	13.2
212.09969	1.1
221.11824	0.2
224.07047	0.3
225.07677	5.2
226.08113	0.3
228.06464	1.1
237.07668	0.7
242.02032	0.2
247.38387	0.2
250.91632	0.2
251.09245	0.6
251.12920	0.7
255.13855	0.3
261.11420	0.3
265.14603	0.3
271.17023	1.3
273.14957	4.6
274.15170	0.3
276.13681	10.0
277.13882	1.2
279.12421	0.3
287.16461	0.3
291.15970	0.3
303.16071	0.5
307.06168	0.7
315.16022	6.0
316.16321	1.1
317.10434	0.4
317.13943	3.7
317.17386	0.3
318.14316	0.4
325.07214	3.2
326.07425	0.7
331.22699	0.3
335.18610	0.8
347.18561	0.4
363.18152	4.6
364.18518	0.7
373.20230	0.4
375.17972	3.0
375.21881	4.3
376.18158	0.4
376.22247	0.8
377.19400	0.3
405.23126	100.0
406.23483	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	28.0
57.03457	2.3
59.01384	4.1
61.98827	2.6
70.27551	3.9
71.01406	1.8
71.05018	2.6
73.02951	0.9
75.00887	1.0
79.01919	3.0
83.01401	4.4
85.02956	2.8
87.00884	1.6
87.04524	19.7
93.03442	0.8
95.05044	1.2
97.02957	0.9
99.08188	3.2
101.06101	36.9
102.06411	2.0
107.90791	0.8
109.02993	1.8
111.00920	2.9
111.04579	1.3
111.46722	0.7
113.02459	0.8
115.04025	37.2
116.04362	1.5
116.55334	0.8
122.03788	1.5
123.04518	1.5
123.08161	1.2
124.01664	4.5
125.02525	1.9
125.06107	22.8
126.06463	1.5
127.00420	0.9
128.11852	0.9
135.04553	1.8
135.08197	4.9
136.05348	1.0
137.02467	42.8
137.06126	1.9
137.09746	2.9
138.02762	1.3
139.03969	1.3
141.01997	1.6
143.03529	16.9
149.02492	2.1
149.06137	1.4
151.00409	6.3
151.04066	3.7
151.07677	1.5
151.11345	1.4
152.04817	1.0
153.09196	1.0
163.04019	1.2
163.11340	1.0
163.54720	0.7
165.01956	2.0
165.05490	1.2
165.09200	4.0
169.08829	1.1
173.06110	2.0
175.07634	7.7
175.08745	0.7
176.08458	1.2
177.05594	2.3
179.03520	2.6
179.07193	1.1
179.10828	1.2
180.04330	2.7
180.08012	2.4
181.05008	1.2
181.08704	2.8
183.10297	1.0
187.04085	1.2
189.05646	1.5
191.07211	2.9
191.10910	0.9
193.05093	1.1
193.12453	1.5
195.06723	2.1
197.08264	1.9
201.05626	0.9
203.07204	3.1
204.11606	1.3
205.08507	0.8
206.09599	1.4
207.03003	1.8
207.10362	1.3
208.07407	10.9
209.08183	5.4
211.09818	3.6
212.06952	6.7
219.06625	1.8
219.17552	1.5
221.08032	1.0
221.15392	1.4
223.53433	1.0
224.10518	5.2
225.07782	2.5
233.08238	1.6
234.09010	2.9
236.06906	4.2
245.15508	2.8
249.11426	1.0
260.14209	1.7
261.14905	2.8
263.13004	1.2
268.09549	1.8
273.14999	1.7
273.18671	2.2
273.22162	1.6
276.13635	7.0
277.14398	1.8
279.12369	1.3
289.21783	6.5
297.77789	0.8
303.16031	39.4
304.13202	4.9
304.16632	4.3
315.16010	2.4
317.17581	1.2
329.21216	13.7
330.14468	1.0
330.21582	1.5
333.20639	5.0
334.21182	0.9
335.14923	1.1
336.15012	1.1
345.20700	20.2
346.21118	2.8
361.19812	1.1
361.23801	1.3
373.20215	51.3
374.20526	7.1
405.22937	100.0
406.23257	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	405.2286
Annotation	Xenitacin
Peak:m/z	Relative Intensity
55.01885	0.5
57.03453	3.6
57.23728	0.4
58.03775	0.4
59.01373	1.9
61.44390	0.4
61.98828	1.8
64.94965	0.4
69.03462	0.8
70.09508	0.4
70.58929	1.4
71.01377	1.0
71.05027	0.7
81.03478	1.1
83.05060	0.6
85.02964	1.0
85.06593	7.4
87.00858	0.9
87.04520	2.2
95.05050	1.3
97.02956	2.0
97.06593	0.5
99.04523	2.0
99.08207	0.5
101.06104	1.3
109.02979	0.7
109.06625	0.7
111.00878	0.9
111.04535	8.5
111.08174	11.3
113.06096	0.8
115.07681	1.7
121.06622	0.9
121.10260	0.5
123.00899	0.7
123.08247	0.9
124.01678	1.8
125.02475	1.0
125.06105	2.6
125.09758	0.6
126.48665	0.4
135.04509	0.5
135.08157	2.7
137.02466	22.0
137.09717	0.9
138.03232	0.9
139.07640	0.7
141.01985	0.7
141.09238	1.1
142.09569	1.0
143.10892	0.5
150.03180	0.5
151.04048	1.8
151.07677	0.5
151.11345	0.9
153.09224	0.6
157.06995	0.4
158.40726	0.4
165.01952	1.3
165.12859	0.6
167.10793	0.6
177.01978	0.7
179.03560	0.8
179.10733	0.5
180.04285	0.8
181.12621	0.4
189.09277	0.5
191.10751	0.7
191.14403	2.1
193.05107	0.8
193.08693	0.8
193.12347	1.8
195.06590	0.6
197.08200	1.0
201.12894	0.4
203.10780	0.4
203.14444	0.6
207.10181	0.4
209.08191	1.0
209.11974	0.7
211.09879	2.2
211.12340	0.4
211.17012	1.2
212.17404	1.9
213.17639	1.5
221.08206	1.8
222.09023	0.7
223.27165	0.4
225.07674	0.8
233.08284	0.5
235.09705	0.5
249.11237	0.7
251.09267	0.5
263.09357	0.7
271.16824	0.4
273.14938	0.5
275.12711	0.7
276.13654	5.6
277.11682	0.4
277.14377	2.7
289.11026	0.6
289.21634	2.6
293.11011	0.4
293.13943	2.5
293.17075	0.5
304.13150	1.9
315.16077	1.0
320.12430	1.0
321.13446	5.1
322.13943	0.9
329.21317	1.7
335.18631	1.0
336.15829	0.7
341.23843	0.5
345.20801	4.1
346.20969	0.7
349.16650	0.5
355.15363	0.8
361.20242	4.4
361.24100	0.8
362.20874	0.6
373.20212	23.4
374.20663	3.1
375.22043	0.7
387.21576	1.2
405.22919	100.0
406.23285	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	405.2133
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01870	0.6
57.03451	2.6
58.00591	3.4
59.01381	74.0
60.01714	0.8
61.98832	3.3
69.03455	0.3
69.91899	1.5
71.01386	46.1
71.05027	1.0
72.01716	0.8
72.99313	3.7
73.02971	1.7
75.00872	1.2
83.01405	1.5
84.02133	0.3
85.02962	9.7
87.00879	2.2
89.02454	50.6
90.02792	0.8
91.05543	1.1
95.01398	3.8
95.05083	0.3
97.02966	0.3
99.00872	0.7
99.08199	0.5
101.02457	25.6
101.06103	0.5
102.02801	0.6
108.02159	0.5
109.02970	0.6
109.06610	0.8
113.02467	17.1
114.02776	0.4
119.03519	20.4
120.03869	0.4
121.02955	0.3
123.04535	0.4
123.08184	0.8
124.05314	1.3
125.02470	0.9
131.03496	1.8
131.05023	0.3
136.05309	0.4
137.09787	0.3
139.07669	8.8
140.08006	0.3
143.03516	3.3
148.09015	0.4
149.04561	1.9
149.06056	0.3
149.09737	0.3
151.07674	3.1
151.11287	3.5
152.08504	1.5
153.09200	0.3
155.10783	0.5
161.04593	4.0
161.09624	0.5
163.04025	2.5
163.11299	6.0
165.09183	0.4
169.08710	0.7
179.05635	8.8
179.10817	2.1
181.12396	2.1
183.10298	1.4
187.04044	0.5
191.05582	0.6
195.13963	1.6
197.11923	0.3
197.15442	0.3
205.12399	0.4
207.13858	1.9
210.12546	0.6
213.14934	0.7
223.13376	2.1
225.11366	0.4
225.14963	3.4
226.15343	0.4
241.00272	0.6
241.14455	0.4
242.02180	1.2
243.03127	0.6
243.15999	100.0
244.16342	7.7
317.11484	0.3
345.15594	0.6
375.10565	0.3
405.04416	1.3
405.21353	47.1
406.05115	0.3
406.21729	5.8
417.46338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	2.3
57.03447	1.6
58.00587	1.2
59.01382	28.9
60.01701	0.4
61.98832	4.5
68.99836	0.3
71.01388	19.8
72.01724	0.4
72.99318	1.7
73.02954	4.0
75.00851	0.5
77.75948	0.3
83.01395	3.2
85.02961	8.4
85.06596	3.0
87.00880	1.7
89.02454	12.3
94.63746	0.3
95.01397	1.6
97.02933	0.5
97.06598	0.7
98.20650	0.7
99.00887	3.3
101.02457	14.6
103.24247	0.2
103.55737	0.3
111.00909	0.3
111.04572	0.4
113.02454	7.6
113.09721	0.5
114.02742	0.3
116.98672	0.3
119.03516	4.6
125.02480	0.6
125.06134	0.7
129.01982	0.3
143.03476	0.5
149.04533	0.4
151.11263	0.6
155.14438	6.4
159.03050	0.5
161.04578	0.7
179.05611	0.8
179.14442	0.3
181.12383	0.5
181.15993	3.4
182.16266	0.3
195.64580	0.3
199.13409	15.4
200.13776	1.3
217.01463	0.5
218.12842	0.3
219.17439	0.3
221.15535	0.4
225.14963	3.8
226.15259	0.5
231.10277	0.7
243.02937	0.5
243.19644	0.7
257.04465	0.4
273.00403	0.4
274.01227	2.4
285.04102	0.4
288.02921	0.5
289.03506	2.9
289.21729	3.8
290.03955	0.3
290.22211	0.4
333.20737	0.4
343.08200	0.6
363.18066	0.6
386.56961	0.3
387.20297	1.1
405.21301	100.0
406.21680	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	405.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03449	22.3
58.03767	0.5
59.01374	2.7
61.98835	8.7
69.03461	1.6
69.55823	4.7
71.05026	22.2
74.64964	0.5
75.00870	1.5
79.05564	0.5
83.05038	1.2
83.72858	0.5
91.01909	1.4
93.07097	1.6
97.02964	1.5
97.06598	1.3
107.05055	0.7
108.02184	2.1
109.02980	0.6
109.06604	1.1
111.08195	1.2
116.34322	0.5
119.08694	1.2
121.06622	2.8
121.10255	0.8
123.00831	0.7
123.08171	1.5
125.02477	0.6
135.00873	1.5
135.08255	0.8
137.02486	1.5
137.09735	0.9
139.07677	1.6
139.11302	5.9
147.08231	0.8
147.11815	0.9
149.09735	1.7
151.00323	0.5
151.11314	7.5
152.01158	2.3
162.83786	0.7
163.11311	3.9
173.09705	1.3
179.10863	0.9
184.95662	0.5
185.13387	0.6
186.67252	0.5
191.10774	4.4
203.14418	4.8
209.11845	1.3
215.14441	0.9
219.17561	15.2
220.17935	1.5
221.12111	1.0
221.15483	14.0
222.15807	1.2
231.17537	4.0
233.15492	0.9
242.02225	5.2
242.05936	0.9
243.02968	0.9
243.04141	0.7
243.06622	11.3
244.07033	0.7
265.14410	1.4
267.03030	0.9
271.20703	1.3
272.61548	0.7
285.04034	1.2
289.21741	26.7
290.22018	3.9
315.19510	0.7
333.20718	100.0
334.21039	14.1
343.08234	22.6
405.11920	0.8
405.19370	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	405.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03448	19.9
58.03782	0.4
59.01376	1.0
61.98832	9.0
62.35556	0.4
69.03448	0.9
69.42909	4.6
70.97926	0.4
71.05024	18.4
83.05035	1.0
84.04942	0.5
93.07113	1.6
95.05035	0.9
97.02954	1.2
97.06597	2.0
98.19916	0.9
109.06625	0.7
111.08210	1.1
114.96100	0.4
116.16658	0.4
119.08676	0.6
121.06624	1.5
121.10256	1.0
123.08183	1.7
124.05344	0.5
125.06097	0.5
133.06653	0.6
135.08183	0.5
137.09744	0.8
139.07629	1.1
139.11314	5.8
140.11650	0.5
145.10307	0.6
147.08205	0.8
149.09717	1.7
151.11295	7.2
152.11743	0.5
161.09743	0.5
162.98299	0.4
163.11272	3.7
173.09731	1.4
179.10815	0.9
191.10802	3.9
203.14418	4.7
204.14827	0.5
209.11852	1.4
219.17534	13.5
220.17908	1.2
221.12083	0.7
221.15474	12.4
222.15855	1.0
231.17528	3.7
232.17795	0.5
265.14398	1.3
271.20709	1.3
285.04053	0.5
289.21725	25.0
290.22165	2.7
333.20706	100.0
334.21033	12.6
343.08310	1.0
405.19284	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	405.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86221	0.3
55.01865	1.2
57.03447	3.8
59.01374	0.3
59.54830	0.3
64.21190	0.3
69.03461	0.3
69.55460	2.4
71.05019	3.1
83.04977	0.3
86.38218	0.3
98.19901	0.6
117.16525	0.3
121.06624	0.6
123.08146	1.7
125.06075	0.5
125.09734	0.6
133.10263	0.4
135.08218	0.7
137.09750	2.2
147.08160	0.6
149.09717	0.6
151.11305	22.3
152.11624	1.6
161.09756	0.5
163.11299	1.0
191.10762	0.5
195.06596	0.3
199.31833	0.3
203.14412	0.8
217.16052	0.5
219.17552	10.5
220.17876	1.4
221.15480	6.2
222.15842	0.5
231.17558	0.3
233.15405	0.6
260.98730	0.4
271.20621	1.7
279.59076	0.3
289.21725	100.0
290.22086	13.6
333.20712	2.7
334.20923	0.4
363.17883	0.7
405.19128	6.1
406.19498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1913
Annotation	Argentine
Peak:m/z	Relative Intensity
57.03440	2.1
59.01388	5.0
61.91530	0.9
61.98829	1.7
68.99811	1.6
71.01409	1.4
71.73151	1.5
75.36995	1.0
79.01916	0.9
81.03458	1.3
85.02961	7.6
85.06609	2.0
87.00912	1.0
87.04536	2.8
95.01396	7.0
95.05041	2.6
101.06031	1.0
109.02971	1.3
109.06596	2.4
111.00876	2.1
111.04538	34.2
113.06101	1.9
121.06619	3.1
123.04549	1.2
123.08187	1.1
124.01666	1.4
125.02485	2.0
125.06113	6.9
135.08211	3.0
137.02469	19.3
137.06113	2.6
137.09737	2.6
139.04027	2.4
141.05580	0.9
143.07193	1.5
149.06085	2.1
149.09677	1.0
149.35918	0.9
151.00406	2.3
151.04105	1.9
151.07693	1.0
153.09398	1.0
155.07149	4.4
165.01979	1.4
165.05611	3.7
167.03421	1.7
179.07170	1.3
180.08026	1.2
181.05132	2.8
181.08746	1.3
182.05904	1.1
183.03032	1.4
191.07156	1.0
191.10847	1.5
193.08727	1.8
193.12335	1.5
195.06657	3.2
197.08197	6.0
204.74831	0.9
205.08687	1.3
207.06647	2.6
208.07452	2.9
209.08202	10.9
211.09793	6.1
212.06937	1.4
214.04794	2.7
219.06619	1.6
221.08183	4.7
225.07681	2.1
233.08197	4.8
234.09012	2.0
235.09819	1.4
243.10432	1.2
271.16974	1.3
273.14969	1.8
276.13617	7.1
277.14279	1.5
289.21912	1.1
305.13882	3.4
315.16058	3.1
317.13922	1.8
322.14273	3.1
329.17477	2.8
329.21283	3.1
331.10858	1.0
333.20355	1.1
345.20795	5.1
361.20068	2.2
373.16391	2.3
373.20273	6.6
374.20670	1.3
375.17850	1.8
375.22061	1.7
387.17841	1.2
405.19113	100.0
405.23053	58.9
406.18701	14.8
406.23386	10.0
415.22797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03448	4.2
61.98845	0.3
63.22264	0.2
69.03452	0.6
71.05020	2.9
71.18416	0.7
83.05047	0.4
111.08171	0.4
121.06588	0.4
123.08154	1.5
125.06108	0.8
125.09750	0.6
133.10278	0.4
135.08167	0.7
137.09743	2.1
139.11327	0.4
147.08142	0.5
149.09721	0.5
150.70833	0.3
151.11310	22.3
152.11610	1.0
161.09698	0.4
161.76591	0.3
163.11295	0.8
165.12799	0.3
191.10791	0.7
203.14409	1.2
215.14383	0.4
219.17551	10.0
220.17862	1.0
221.15475	5.4
222.15736	0.5
231.17369	0.3
233.15556	0.6
271.20728	1.4
285.63992	0.3
289.21729	100.0
290.22089	11.8
333.20706	2.6
363.18073	0.6
405.19131	5.2
405.32727	0.3
406.19553	0.8
424.85565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.5
59.01095	0.7
59.01378	12.3
61.98828	6.4
71.01382	2.6
71.71872	0.3
71.72296	0.4
72.15797	0.3
72.99353	0.6
73.03000	0.8
83.01434	0.4
83.05061	0.3
85.02997	0.7
89.02017	0.4
89.02460	1.6
90.25595	0.3
97.06645	0.3
99.00945	0.7
101.02431	1.6
104.01225	0.3
113.02545	1.1
119.03571	0.9
125.09830	0.3
135.04599	0.4
139.11308	3.3
141.57951	0.2
143.05077	0.4
145.03012	1.0
147.04546	0.6
151.07733	0.3
153.12907	1.1
155.14468	0.6
159.04558	0.5
160.13986	0.3
161.04579	0.4
163.11324	2.2
169.02969	0.6
169.12361	0.7
171.04543	2.4
171.13916	0.4
173.02480	1.1
179.05605	0.5
181.05078	0.5
181.12361	12.0
182.12715	0.6
183.10258	3.3
183.11621	0.3
186.03264	0.6
187.04092	0.6
191.05588	0.3
195.13934	0.5
197.02522	0.3
197.11847	1.7
198.03259	0.6
199.04042	1.4
199.13405	28.1
200.13805	2.0
205.12399	0.3
207.10220	1.4
214.02711	0.7
215.03500	0.4
223.13361	0.3
225.11324	7.0
226.11665	0.4
227.12823	0.6
229.14409	1.0
239.12729	0.6
242.02205	6.0
243.02977	43.8
243.12360	100.0
244.03261	4.0
244.12701	7.0
249.11324	0.5
257.04529	0.6
267.12381	1.8
285.04053	0.8
285.13400	2.3
286.13724	0.3
301.03592	0.3
303.03906	0.4
315.05130	0.5
315.14462	0.3
329.10812	0.3
345.15439	0.9
405.08365	8.2
405.17465	13.4
406.08331	1.0
406.17679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09204	0.5
57.03446	0.8
59.01380	35.2
60.01726	0.5
61.11094	0.4
69.82385	2.0
69.82796	1.1
71.01394	3.2
73.02945	1.1
83.01386	0.6
85.02968	1.2
89.02451	3.4
90.29838	0.5
101.02446	1.5
113.02463	2.3
119.03557	0.8
124.03576	0.5
135.11797	0.5
137.38452	0.5
139.11305	7.1
159.04491	0.6
163.11282	2.2
181.12364	31.9
181.72607	0.5
182.12663	2.7
183.10278	17.0
184.10542	0.6
187.23126	0.5
199.13405	1.7
205.12300	0.6
214.02673	1.5
215.03406	0.8
225.11299	4.5
231.06673	0.6
242.02208	11.0
243.02773	1.5
243.12370	100.0
244.12701	6.5
249.11401	0.8
258.05399	0.8
259.02606	0.6
259.05960	0.8
267.12378	1.2
273.49420	0.5
285.13562	1.9
301.03519	1.6
345.15549	1.9
405.08087	10.0
405.17340	6.5
406.08646	1.3
406.18079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01379	100.0
60.01713	1.5
60.99283	0.2
61.98830	13.6
62.29071	0.2
69.03458	3.7
69.73180	0.5
69.73587	1.5
71.01381	3.1
71.05038	1.0
72.99303	0.3
73.02939	0.3
85.02962	1.1
86.80542	0.2
89.02461	2.3
91.39765	0.2
92.51278	0.2
95.01406	0.6
98.38301	0.2
99.00890	0.2
101.02467	2.0
111.08169	0.9
113.02465	2.9
113.06108	0.6
119.03528	1.6
123.08206	0.3
127.07680	0.5
137.06096	0.4
138.13867	0.2
139.11304	7.0
140.11661	0.5
141.75142	0.3
143.03561	0.3
155.07176	0.3
161.04593	1.6
179.05589	0.5
181.05051	0.8
183.10278	61.2
184.10599	3.6
197.11836	0.9
213.05592	0.5
221.06731	0.5
225.11366	1.9
226.11618	0.2
243.03020	0.9
243.12439	0.6
255.02960	0.5
255.12411	0.4
257.04480	2.1
285.04028	4.1
286.04434	0.5
297.04163	0.2
315.05029	1.0
345.15463	2.0
405.08301	2.7
405.17429	0.4
405.45734	0.2
406.08563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01716	1.3
61.98822	0.7
63.56923	0.5
71.01405	4.3
71.05049	0.9
72.40318	0.7
72.99271	0.7
73.02952	11.5
73.03339	0.9
75.05922	0.6
80.07743	0.6
80.78372	0.6
83.04990	0.7
85.02986	1.1
85.06601	8.1
89.02451	4.5
95.01414	1.2
97.02978	4.5
101.02485	2.5
113.02486	4.0
119.03539	2.2
125.09750	2.9
139.11311	1.6
151.00391	0.6
161.04616	2.4
163.07761	0.8
165.09262	1.2
179.05656	0.9
181.12439	1.6
183.10289	96.3
184.10609	6.4
197.11781	0.8
199.13420	1.9
207.10304	1.4
216.92400	0.6
225.11356	4.6
231.06624	0.7
242.02165	0.6
243.12376	18.5
244.12636	1.4
255.12405	1.5
285.13470	0.8
345.15674	1.5
354.27820	0.7
405.07867	0.7
405.17657	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	405.1191
Annotation	Siebolside B
Peak:m/z	Relative Intensity
52.43543	0.2
55.01838	0.7
57.03392	0.3
59.01326	4.2
59.01645	0.3
61.98777	2.7
65.00271	1.1
65.57523	0.2
69.03417	0.4
71.01389	2.0
71.04962	0.2
71.72175	0.3
73.02892	0.6
75.16869	0.2
77.03922	1.0
79.01900	9.8
80.02214	0.3
83.01349	0.6
85.02895	1.0
85.06536	0.3
89.02442	1.3
93.03430	0.2
94.43372	0.2
95.05006	0.4
95.33960	0.2
97.02967	4.9
99.00844	0.5
101.02444	1.3
103.00329	0.5
113.02395	0.6
113.06020	0.2
115.14989	0.2
119.03488	0.4
119.05051	3.4
121.02974	11.2
122.03233	0.3
123.04469	0.4
124.01659	1.2
125.02442	0.5
125.06036	0.3
128.03586	0.3
133.06552	1.0
135.04514	0.5
137.02415	0.7
139.00375	0.3
139.04031	2.2
139.11215	0.3
143.04051	0.2
143.05055	3.3
145.02977	8.0
146.03238	0.3
151.03804	0.3
152.03719	0.2
155.08557	0.5
157.06616	3.0
163.04010	0.7
165.01962	18.9
166.02304	1.3
171.08090	0.2
175.07669	1.6
181.05031	0.4
181.06433	0.3
181.15919	0.3
183.02948	0.3
183.06429	0.2
183.10266	0.3
199.07666	6.0
199.13380	0.7
200.07867	0.3
201.05606	0.4
225.14986	0.5
229.08617	0.3
239.07109	1.2
241.05130	0.4
242.02266	0.3
242.05736	0.4
243.06619	100.0
244.06973	8.9
257.04437	0.4
257.08264	0.4
267.06610	1.6
275.55847	0.3
277.07245	0.8
283.08173	0.4
285.04156	0.8
285.07727	1.9
286.08292	0.3
288.05908	0.3
289.06198	0.3
301.03589	0.5
309.07886	0.3
315.05374	0.3
345.19495	0.3
356.57846	0.3
405.12106	9.7
405.21249	5.0
406.12396	1.4
406.21194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32713	0.2
55.76254	0.3
57.03435	0.3
58.00599	0.5
59.01374	2.7
61.98831	6.7
62.71709	0.3
70.91931	0.8
70.92287	0.4
71.01380	4.3
72.99315	0.6
73.02934	1.3
75.00883	1.5
76.44608	0.3
78.67236	0.3
78.95918	0.5
83.01396	0.5
85.02964	1.5
87.00878	4.9
88.98763	0.3
89.02451	1.2
93.03453	0.4
95.37777	0.3
96.96027	1.1
96.96954	1.1
99.00896	0.4
101.02445	3.1
108.02195	0.5
109.03027	0.3
111.00907	0.4
113.02480	1.9
121.02996	0.4
123.00900	0.4
123.04518	0.3
125.02496	0.4
129.01955	0.6
135.95844	0.3
136.01672	1.8
137.02480	1.6
138.03250	0.3
143.03511	0.3
149.02463	1.7
150.03241	1.0
151.04024	2.3
153.05524	0.7
161.04599	4.1
161.05887	0.5
164.01157	3.6
164.04788	0.5
165.01945	28.3
165.05609	2.0
166.02283	1.3
167.03497	0.8
169.01434	0.3
173.04507	0.4
177.01953	7.9
177.03499	0.4
178.02487	1.1
179.03513	49.2
180.04292	31.7
181.04613	2.0
191.03525	0.3
191.05574	1.0
192.04315	3.2
193.05020	1.0
194.05846	19.6
195.06633	100.0
196.06990	6.5
207.02968	0.3
207.06702	0.7
209.04492	0.4
210.05348	2.0
215.06952	0.3
225.07690	13.8
226.07971	0.8
237.07756	0.6
238.08443	0.3
240.04219	0.3
264.79666	0.3
357.11914	9.1
358.12140	1.1
393.55554	0.3
405.09378	0.3
405.13971	0.4
405.22775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98840	0.7
70.46720	0.2
70.47110	0.1
71.01393	0.2
72.99326	0.1
73.02960	0.2
83.01430	0.1
85.02939	0.1
89.02442	0.2
91.01912	0.1
95.05038	0.1
101.02466	0.1
111.04594	0.1
113.02438	0.2
119.03628	0.1
123.04541	0.1
125.02473	0.3
135.00931	0.1
135.03055	0.2
135.04558	0.1
137.02478	0.2
142.29858	0.1
143.05009	0.3
145.02971	0.2
147.04515	0.1
149.02573	0.1
151.00385	0.2
159.04555	0.2
159.53683	0.1
161.02431	0.1
164.15401	0.1
165.00169	0.2
167.01729	0.2
167.03513	0.3
170.61707	0.1
171.04523	1.0
173.02420	0.1
187.04063	0.7
188.04298	0.1
192.99635	0.2
197.02542	0.1
198.03278	0.2
199.03951	0.5
207.10297	0.2
213.05618	0.3
214.02780	0.6
215.03522	1.2
215.07065	0.2
222.06061	0.2
225.01959	0.1
227.03514	0.2
229.07384	0.5
236.98468	0.1
239.03545	0.3
241.04903	0.1
242.02194	0.6
243.02980	100.0
244.03316	8.8
244.07457	0.4
244.09760	4.1
255.02872	0.1
255.06569	0.1
257.04556	0.3
269.04547	0.7
270.05124	0.1
285.04010	0.4
285.07654	0.3
287.05484	0.1
296.07007	0.1
297.04111	0.4
298.04517	0.1
299.05661	0.1
315.05179	0.2
319.02722	0.2
327.05222	0.2
331.04462	0.1
343.08505	0.1
387.07245	0.2
405.08191	0.9
405.19696	0.3
406.08960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
60.52979	0.1
61.98831	1.1
65.00336	0.3
71.01377	0.3
71.72177	0.1
73.02931	0.2
75.00894	0.2
77.96331	0.1
82.06809	0.1
83.01392	0.2
85.02979	0.2
89.00349	0.3
89.02446	0.2
91.57852	0.1
93.03490	0.2
96.78220	0.1
96.95983	0.1
101.02456	0.3
108.02222	0.2
109.02950	0.7
111.97242	0.1
113.02431	0.1
121.02997	0.3
125.02460	0.3
131.05032	0.3
133.02985	0.6
135.04501	0.1
137.02448	0.2
143.03548	0.3
143.05049	0.5
150.03160	0.1
151.00380	0.2
155.05038	1.3
156.05402	0.1
157.02983	1.9
158.03593	0.2
159.04489	0.2
161.02425	0.3
171.04549	1.3
172.01741	0.1
173.02484	0.2
175.04007	0.9
186.03246	0.6
187.04033	0.9
188.04414	0.1
198.03290	0.3
199.04015	5.2
199.07695	0.2
200.04372	0.5
201.01892	0.2
203.01500	0.1
206.08948	0.1
214.02719	0.5
215.03497	3.7
216.03838	0.4
241.99715	0.3
242.02217	5.1
243.02975	100.0
244.03300	8.6
255.02937	0.7
258.01749	0.4
259.02435	0.9
271.02383	0.2
272.03091	0.3
273.03754	0.3
274.03949	0.1
275.04544	0.2
285.03958	0.5
301.03305	0.5
303.04178	0.3
315.05084	0.2
319.03622	0.2
333.52847	0.1
356.57727	0.2
405.08258	11.3
405.19720	0.5
406.08722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01382	3.8
61.98511	0.4
61.98831	4.9
69.03478	0.2
70.18634	0.2
71.01381	1.2
71.04987	0.2
73.02937	0.2
75.46671	0.2
83.01391	0.3
85.02962	0.4
89.02457	0.6
92.06419	0.2
93.03470	0.2
95.01423	0.2
97.08361	0.2
99.00906	0.8
99.04516	0.2
101.02464	0.6
111.04553	0.2
113.02444	0.6
113.55817	0.2
115.64777	0.2
117.03517	0.3
125.02445	0.2
125.09737	0.3
135.04535	0.2
139.11298	0.7
143.05020	1.3
145.02980	2.6
147.04539	1.2
148.61107	0.2
158.03740	0.7
159.04527	0.5
161.02396	0.5
161.06116	0.3
163.11232	0.4
169.03008	1.2
171.04541	5.7
172.04941	0.4
173.02486	2.8
175.04041	0.2
179.03540	0.3
181.05066	1.1
181.12411	1.5
182.03804	0.2
183.10287	1.5
185.02394	0.3
186.03242	1.7
187.04033	1.1
191.05595	0.3
197.02489	0.8
198.03191	1.0
199.04013	2.3
199.13400	1.3
200.04376	0.2
201.01906	0.4
207.10236	1.0
213.02003	0.2
214.02716	1.5
215.03513	0.9
225.01961	0.5
225.11317	3.5
226.02678	1.3
226.11674	0.2
229.66113	0.2
242.02219	9.6
243.02977	100.0
243.12357	14.5
244.03323	8.1
244.12715	0.8
267.12326	0.3
285.04105	0.5
285.13370	0.4
343.10336	0.4
361.18845	0.2
405.08273	17.1
405.17664	1.4
406.08618	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	405.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
60.01698	0.1
61.98831	0.5
69.67320	0.2
69.67744	0.3
71.01379	0.1
83.01403	0.1
91.01940	0.1
91.60758	0.1
93.03430	0.1
97.02937	0.1
98.20601	0.1
101.02492	0.1
123.04531	0.1
125.02441	0.3
135.00877	0.1
135.04613	0.1
137.02457	0.1
143.05017	0.3
145.02980	0.2
147.04549	0.1
147.15276	0.1
151.00305	0.1
159.04483	0.2
161.02332	0.1
165.00180	0.1
167.01727	0.1
167.03540	0.3
171.04530	0.9
187.04063	0.7
192.99707	0.1
198.03023	0.1
199.04021	0.4
207.10251	0.1
214.02757	0.4
215.03494	1.2
216.03851	0.1
225.01968	0.1
227.03523	0.3
229.07349	0.5
239.03564	0.2
242.02231	0.7
243.02974	100.0
244.03304	8.1
244.09758	3.0
255.03047	0.1
258.01889	0.1
285.04077	0.4
285.07724	0.3
319.02921	0.1
356.57764	0.1
383.68298	0.1
387.07132	0.1
405.08157	0.8
405.19409	0.1
406.08658	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	405.083
Annotation	Neolancerin
Peak:m/z	Relative Intensity
54.23308	0.5
59.01388	1.3
69.69206	3.9
69.69613	0.9
71.01392	0.6
80.71932	0.5
92.98206	0.5
93.03462	0.6
98.99737	0.5
108.35898	0.5
123.82111	0.5
155.05093	0.6
157.06587	0.6
175.03923	1.2
183.10280	1.0
184.05299	0.6
185.06099	1.7
195.04544	0.6
198.03264	1.6
199.04030	1.8
199.13498	0.7
211.04050	1.0
213.05591	10.3
225.05551	0.7
227.03571	2.5
228.04196	3.0
229.04915	0.9
241.05107	0.7
243.02956	5.1
243.12431	0.8
253.05040	1.5
255.03012	10.4
256.03738	6.4
257.04556	51.1
258.04892	3.4
267.03000	2.5
269.04587	6.8
282.01627	1.1
283.02365	0.9
285.04062	100.0
286.04388	8.1
288.02798	5.3
297.04031	10.1
298.04568	1.0
299.05789	0.8
309.53189	0.6
315.05109	29.1
316.05362	2.4
327.05203	2.2
387.07126	1.1
405.08279	53.7
406.08722	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	405.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01382	3.8
61.98511	0.4
61.98831	4.9
69.03478	0.2
70.18634	0.2
71.01381	1.2
71.04987	0.2
73.02937	0.2
75.46671	0.2
83.01391	0.3
85.02962	0.4
89.02457	0.6
92.06419	0.2
93.03470	0.2
95.01423	0.2
97.08361	0.2
99.00906	0.8
99.04516	0.2
101.02464	0.6
111.04553	0.2
113.02444	0.6
113.55817	0.2
115.64777	0.2
117.03517	0.3
125.02445	0.2
125.09737	0.3
135.04535	0.2
139.11298	0.7
143.05020	1.3
145.02980	2.6
147.04539	1.2
148.61107	0.2
158.03740	0.7
159.04527	0.5
161.02396	0.5
161.06116	0.3
163.11232	0.4
169.03008	1.2
171.04541	5.7
172.04941	0.4
173.02486	2.8
175.04041	0.2
179.03540	0.3
181.05066	1.1
181.12411	1.5
182.03804	0.2
183.10287	1.5
185.02394	0.3
186.03242	1.7
187.04033	1.1
191.05595	0.3
197.02489	0.8
198.03191	1.0
199.04013	2.3
199.13400	1.3
200.04376	0.2
201.01906	0.4
207.10236	1.0
213.02003	0.2
214.02716	1.5
215.03513	0.9
225.01961	0.5
225.11317	3.5
226.02678	1.3
226.11674	0.2
229.66113	0.2
242.02219	9.6
243.02977	100.0
243.12357	14.5
244.03323	8.1
244.12715	0.8
267.12326	0.3
285.04105	0.5
285.13370	0.4
343.10336	0.4
361.18845	0.2
405.08273	17.1
405.17664	1.4
406.08618	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	404.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14018	0.2
54.02649	0.2
57.91002	0.2
59.01386	2.0
61.98832	100.0
69.03457	0.2
69.86681	1.6
71.01391	0.7
71.07748	0.2
71.15421	0.3
75.00888	0.3
77.65441	0.3
83.01433	0.4
85.02975	0.3
87.00839	0.2
89.02505	0.4
92.01464	0.2
101.02456	0.3
103.30063	0.2
109.03004	0.4
111.04476	0.2
113.43979	0.2
119.09999	0.2
125.02451	1.9
126.02837	0.3
135.04532	0.4
137.02461	2.5
138.02820	1.4
150.03232	0.4
151.00449	0.5
161.02533	0.5
165.01964	1.1
166.02412	0.6
167.03590	0.4
168.03920	0.3
175.03966	0.3
175.07620	0.5
179.03604	0.3
185.02458	1.3
199.07872	0.2
200.04681	0.2
218.09166	0.2
222.69920	0.3
241.01572	0.7
242.02240	0.4
242.08327	0.7
243.02925	1.2
248.10069	0.6
259.02347	0.2
272.03101	0.3
285.04294	0.3
288.06616	0.3
324.13135	0.3
356.08005	0.3
356.57578	0.3
368.12396	0.8
373.10004	0.3
386.13400	1.2
404.07614	0.9
404.14499	0.7
404.19754	0.2
405.07663	0.5
405.20227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09606	0.2
61.98833	100.0
65.87153	0.1
67.59435	0.2
77.64200	0.2
103.51431	0.2
127.39814	0.2
191.05704	0.7
192.40131	0.2
266.73972	0.2
333.74173	0.2
354.34805	0.2
404.10703	0.3
405.10092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
58.02975	10.4
59.01384	20.7
59.28468	0.8
60.01719	1.4
61.98832	4.8
66.03499	0.9
69.91747	4.0
70.02966	1.7
71.01391	14.4
72.00913	1.7
72.01727	2.5
72.99307	1.9
73.02960	2.3
74.02481	22.6
74.14473	0.8
81.04597	1.0
82.02999	1.8
85.02963	3.9
86.02487	8.3
86.99108	1.1
87.05647	6.1
89.02454	13.1
90.00192	2.4
90.02801	1.3
95.01372	1.0
97.04102	3.0
99.05647	17.0
101.02457	7.5
101.07220	3.2
102.02798	1.4
102.05636	2.8
109.04099	3.0
109.07722	1.2
111.05637	1.7
112.04076	2.2
113.02486	4.0
113.03615	1.0
114.02831	1.1
116.01767	1.1
119.03529	3.4
120.01247	1.0
120.03812	1.0
123.05688	1.3
125.03550	1.9
126.04355	1.1
127.05157	3.0
128.03561	50.6
129.03888	1.4
129.99728	1.0
131.04652	1.3
135.04776	0.7
135.05667	4.8
137.07220	0.8
139.07687	4.7
140.08026	3.6
141.06699	5.9
143.04646	68.9
144.04965	2.4
145.06206	2.5
146.04613	6.1
149.09692	1.3
151.07692	1.6
152.07971	1.3
153.06711	5.5
160.00768	17.5
161.04576	2.5
166.09834	2.8
167.04636	4.2
167.08319	1.6
171.04005	0.9
171.07785	1.0
177.03427	6.6
179.04630	12.6
179.10802	1.2
180.11163	1.9
181.06212	2.1
184.10916	1.0
185.05702	2.8
192.07777	1.3
194.12665	1.0
197.05771	2.5
198.08841	1.2
210.08853	11.5
211.09116	0.9
224.13742	1.5
241.14433	15.9
242.07808	2.3
242.14804	26.2
243.15013	1.6
254.07835	19.0
255.08252	1.2
272.08875	29.3
273.09210	2.5
288.06580	10.5
306.07666	100.0
307.07922	8.9
356.05423	0.9
402.41360	0.9
404.15045	1.4
404.20154	7.3
405.21179	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	404.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.2
61.98831	100.0
62.98545	0.3
63.98741	0.2
70.62977	0.4
70.63353	0.8
71.01396	1.0
72.14094	0.2
72.99310	0.7
75.00876	0.3
78.91907	0.5
78.95908	3.3
85.02969	0.6
86.53059	0.2
87.00916	0.2
89.02459	1.1
93.03512	0.3
96.96031	0.6
96.96988	0.7
101.02479	0.3
102.51779	0.2
109.03004	0.6
113.02450	0.7
119.03522	0.6
121.02967	0.4
123.04498	0.3
134.04774	1.0
135.04538	7.9
135.41635	0.2
136.04910	0.3
137.02461	0.6
138.02782	0.4
139.03976	0.3
146.59323	0.2
149.02460	0.6
151.03996	0.6
154.98062	0.3
158.92607	0.3
165.01891	0.3
167.10707	0.4
173.04558	0.5
176.79874	0.2
179.03513	16.8
180.03856	0.8
183.76108	0.3
191.03601	0.2
191.05580	1.4
192.06000	0.6
199.70287	0.3
215.07179	0.3
287.05688	0.3
341.08768	2.8
345.06262	0.7
405.09091	0.7
409.22751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67397	0.8
56.73475	0.9
57.03457	2.2
57.22814	0.9
59.01382	1.5
60.31873	0.9
61.98836	4.7
67.54693	1.1
79.01912	3.1
79.05561	1.0
102.90380	0.9
107.04984	1.0
109.06631	1.0
111.04527	1.4
120.75397	1.0
123.04543	1.3
123.96363	1.0
137.02426	1.6
147.04555	4.7
149.02477	2.1
150.03241	1.9
163.04007	2.2
163.07623	2.1
165.01901	2.0
177.01950	38.9
177.03497	2.0
177.05444	1.2
178.02744	8.0
191.03526	61.5
191.10968	1.0
192.03900	3.1
195.03058	1.8
196.03760	3.0
201.09314	1.4
209.04555	11.6
210.04892	1.3
215.10831	1.1
217.12398	9.7
231.06668	1.3
231.10255	2.2
245.08250	7.2
246.08765	2.4
259.09818	8.4
287.15039	0.9
288.13620	1.9
316.13181	31.5
317.13596	2.6
330.35693	1.1
334.14160	2.2
341.21140	3.2
342.21515	1.0
385.20215	96.5
386.20578	13.1
393.72754	1.1
403.21234	100.0
404.21631	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	403.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03172	0.6
57.03448	8.2
59.01373	0.6
59.98516	0.9
61.98832	2.0
69.03446	1.1
70.04431	1.9
71.05020	0.8
73.02943	1.3
79.05515	0.4
83.05051	0.4
85.02960	0.6
85.06599	9.2
86.03741	0.7
87.04527	1.7
95.01380	0.8
95.05024	0.5
99.04522	0.7
101.06095	13.4
111.04543	1.1
113.06107	9.9
113.09747	1.6
114.06896	10.5
115.07673	14.2
121.03004	1.0
122.03745	0.4
122.66899	0.4
123.04543	0.6
123.43490	0.4
125.09745	5.5
127.11322	0.5
137.02431	0.6
140.08423	0.7
141.09239	43.3
142.10039	3.6
143.10802	23.4
143.11703	0.3
144.11142	1.1
147.11726	0.5
149.02457	2.4
150.03262	2.0
151.04048	0.6
152.04770	0.6
154.09972	0.9
155.10754	0.7
159.04462	0.4
160.10432	0.4
163.07660	0.4
164.01215	0.7
165.12865	19.5
166.13216	1.4
169.08716	0.5
174.09027	0.7
177.01950	40.4
178.02673	7.3
179.10893	0.7
189.01947	0.7
189.12794	1.0
191.03496	1.6
191.10806	1.5
191.97789	0.4
192.40355	0.4
193.15982	1.1
195.02943	2.3
196.03767	3.2
203.06905	0.4
207.10249	1.3
209.11845	31.3
210.12221	2.1
211.17046	100.0
212.17358	8.4
217.12396	1.5
221.08224	1.4
238.15793	2.7
240.10118	1.1
275.12915	1.1
279.19659	1.0
289.21768	0.5
301.10806	0.9
304.80383	0.4
316.13214	7.0
317.13629	1.1
319.11862	2.0
319.22754	0.5
334.14011	0.6
341.21182	1.0
359.22299	0.9
359.29468	1.0
362.17245	0.5
385.20212	30.7
386.20523	4.8
403.21277	39.7
403.28342	2.1
404.21942	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	403.2128
Annotation	Strophanthidin
Peak:m/z	Relative Intensity
55.01894	0.7
57.03453	1.0
59.01388	0.8
61.98840	1.3
69.89725	1.9
69.90150	1.0
72.28629	0.4
77.03991	0.8
79.01880	0.5
95.01393	2.8
97.79347	0.4
107.05019	1.1
108.02189	1.2
109.02962	1.0
111.04527	0.6
113.06104	0.9
115.07664	0.5
119.08710	0.6
121.02956	0.6
121.06550	0.6
122.03693	0.4
133.02969	0.8
137.02502	0.7
141.09242	2.5
143.10756	0.7
147.04449	0.5
149.02452	5.9
150.03233	5.6
151.00443	0.5
151.03957	0.6
152.04778	1.5
163.07689	1.6
164.01190	1.5
165.01961	0.6
165.12895	0.8
166.02631	0.7
167.07207	0.4
177.01939	100.0
178.02682	18.6
179.03047	0.8
181.04810	0.5
182.02135	0.6
189.01999	1.7
189.12918	3.0
190.02673	0.5
191.03519	4.5
193.05118	0.9
194.05479	1.0
195.03030	5.3
195.05652	0.6
196.03783	8.6
197.04156	0.5
205.05200	0.5
207.02826	0.5
207.05907	0.7
209.11816	1.2
211.17012	4.5
212.17403	0.6
217.12328	4.5
221.08147	0.5
233.11725	0.4
263.12076	0.7
288.13657	0.9
315.12231	0.8
316.13159	19.6
317.13583	2.4
317.16751	0.4
334.14020	1.1
334.17520	0.5
341.21130	2.4
359.22052	1.0
385.20197	80.0
386.20535	12.9
403.21109	78.8
404.21533	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	403.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.2
71.29453	0.4
71.29787	0.7
76.56834	0.3
87.04551	0.4
95.05051	0.6
97.02979	0.6
111.04525	2.9
113.06094	0.6
118.82186	0.4
123.04477	0.5
123.08167	0.6
151.04039	5.9
164.56508	0.3
165.01917	0.5
165.05493	0.6
166.02708	1.1
167.07224	1.2
167.10815	0.4
177.01959	0.6
177.09224	0.6
190.81909	0.4
191.10843	0.5
193.05107	1.0
193.08707	1.6
193.12364	0.4
203.07179	2.9
207.06653	2.8
208.07419	8.5
209.08157	1.4
209.15581	0.6
221.08203	100.0
222.08527	6.9
235.09770	5.9
235.16794	0.4
236.10471	1.1
261.18530	1.0
273.11029	0.4
277.10916	0.7
277.14557	0.6
288.13721	0.9
291.12378	0.9
301.10605	0.8
316.13229	1.5
334.14246	5.9
335.14545	0.8
359.22284	1.7
403.21271	84.6
404.16177	0.7
404.21600	14.7
409.06384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2126
Annotation	Phellodonic acid
Peak:m/z	Relative Intensity
50.58665	0.7
57.03455	7.5
69.88639	2.8
69.89054	1.8
71.05019	1.2
74.13233	0.6
76.52247	0.8
83.05025	2.0
83.96569	0.7
85.02963	2.3
85.06604	30.2
86.44179	0.7
87.04528	27.1
89.36543	0.8
95.05021	3.6
97.06599	1.3
98.19963	1.4
107.05051	3.5
109.06622	2.3
111.04546	1.0
111.08183	4.4
121.06649	1.7
123.04642	0.8
123.08157	2.1
125.06133	1.7
125.09769	1.0
133.06622	1.1
149.09741	0.8
150.06897	1.6
150.19568	0.7
151.04062	0.7
151.07620	0.7
153.09300	1.7
163.07642	3.2
165.09245	4.4
167.10779	1.3
173.09686	1.5
175.11287	0.7
177.09268	3.2
179.10767	1.4
181.12355	1.7
191.10796	1.7
193.12477	0.8
201.12936	1.3
203.10809	1.9
215.10905	0.9
219.14011	2.4
229.12355	0.9
231.13881	1.4
233.15379	3.3
243.13942	1.3
245.15512	0.8
247.13362	2.0
248.14099	1.4
261.14923	1.7
271.17041	6.4
272.17200	1.0
273.14951	4.0
273.18292	0.8
289.18109	7.1
313.21808	1.4
331.22833	2.1
341.21231	9.6
359.22299	100.0
360.22617	13.5
403.21353	9.5
404.21411	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	403.2127
Annotation	Phellodonic acid
Peak:m/z	Relative Intensity
52.77434	0.3
55.01885	0.6
57.03450	6.7
59.01371	0.9
61.98847	1.8
61.99100	0.3
69.03465	0.6
71.05015	1.5
71.72477	0.6
73.58331	0.4
79.05534	0.7
81.03469	0.6
83.05036	2.5
85.02964	2.0
85.06600	28.6
86.06944	0.6
87.04525	27.0
88.04852	0.7
95.05032	2.4
97.06599	0.7
99.08167	0.5
107.05054	3.0
109.02958	0.3
109.06608	2.9
111.04504	0.8
111.08170	3.8
112.17476	0.3
113.06068	0.5
121.06606	1.8
122.03731	0.4
123.08192	2.1
125.06089	1.4
125.09743	0.8
133.06606	0.8
133.10283	0.5
135.04483	0.5
135.08183	0.6
137.06059	0.8
137.09760	0.6
139.07658	0.4
147.08165	0.9
149.06084	0.3
149.09698	1.6
150.06850	1.2
151.07666	1.1
153.09265	1.8
159.08189	0.7
161.06078	0.8
161.09747	0.9
163.07654	3.8
163.11290	0.6
165.09247	4.2
167.10809	1.5
173.09732	1.2
175.07562	0.4
175.11235	0.9
176.08351	0.3
177.09213	3.6
179.10764	1.2
181.12349	1.8
182.05836	0.5
185.09677	0.4
187.07558	0.4
189.09213	0.6
189.12852	0.4
191.10809	1.9
193.12296	0.5
201.09163	0.3
201.12866	1.3
203.10820	2.1
203.14409	0.4
205.08690	0.5
205.12341	0.6
207.06570	0.4
213.05499	0.5
215.10770	0.7
215.14352	0.6
217.12262	0.6
219.13945	2.5
221.11804	0.7
221.15305	0.4
227.14276	0.5
229.12370	0.8
231.13904	1.1
233.11803	0.7
233.15460	2.9
234.15736	0.4
245.15503	0.9
246.12480	0.6
247.13281	3.0
248.14116	0.8
253.15985	0.5
255.14011	0.7
257.11819	0.6
261.14896	1.7
261.18439	0.5
271.17062	6.9
272.17285	0.6
273.14920	4.4
273.18475	1.3
274.15237	0.3
279.45969	0.4
283.16840	0.4
287.16470	0.6
288.17200	0.4
289.18054	7.9
290.18719	0.8
299.20166	0.6
313.21683	1.0
315.23279	0.4
323.20056	0.4
331.22537	2.1
341.21207	8.9
342.21512	1.2
359.22278	100.0
360.22632	12.7
385.20255	2.4
403.21353	10.9
404.21536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03501	1.7
59.01428	1.2
61.98886	3.3
62.66959	0.5
63.98854	0.5
66.05244	0.5
68.99883	0.7
69.88463	3.2
72.07819	0.5
79.01948	1.0
79.05596	0.8
85.06648	1.6
90.98811	0.5
95.01485	2.6
101.06171	2.3
107.05110	1.0
109.03049	1.2
111.04599	0.8
113.06134	1.3
114.06951	2.4
115.07690	3.1
119.08736	0.7
121.02975	0.7
125.02553	0.8
125.06146	0.9
125.09772	1.1
133.03033	0.7
137.02545	1.1
141.09248	7.0
142.85208	0.5
143.10774	3.6
145.06773	0.5
147.04631	2.2
149.02454	3.4
149.06256	0.7
150.03304	2.4
151.00496	0.8
152.04871	1.1
157.26413	0.5
163.04167	1.2
163.07738	1.8
164.01259	1.9
165.12894	3.2
177.01947	52.9
177.05484	6.6
178.02658	7.9
182.02271	1.4
189.01953	5.9
189.12836	4.0
191.03513	10.6
191.07141	4.3
191.10834	0.8
192.03801	0.8
195.03020	5.7
196.03787	5.6
203.03535	0.9
207.03075	1.4
208.07355	0.8
209.04677	0.8
209.08432	0.6
209.11888	4.7
211.17056	16.1
212.17580	1.5
216.90508	0.5
217.09081	1.0
217.12395	4.3
218.13034	0.6
221.04660	0.9
221.08240	1.4
231.10324	0.8
233.04584	2.2
233.08353	0.6
233.11813	1.1
235.09602	0.6
238.08505	2.1
243.06697	1.2
245.08205	1.3
245.11816	0.7
259.09750	1.3
273.11276	1.5
275.12894	1.0
287.12766	0.8
288.13629	7.5
299.12997	1.0
301.10910	1.7
302.11572	0.6
316.13165	10.6
317.13516	1.9
319.11932	0.9
320.12741	1.5
334.14212	2.0
341.21094	2.6
359.22275	1.1
375.21872	1.1
385.20203	82.8
386.20535	11.5
403.21234	100.0
404.16989	0.9
404.21707	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01885	1.0
57.03450	3.4
58.00597	1.7
58.02977	1.1
59.01379	43.1
60.01714	0.6
61.98840	1.6
62.15431	0.2
69.03458	0.5
69.62572	1.6
71.01386	31.4
72.00925	0.2
72.01726	0.4
72.99317	1.8
73.02950	3.3
74.02483	2.4
75.00889	0.3
81.03475	0.5
83.01401	1.9
83.05046	0.4
84.02181	0.2
85.02959	8.3
86.02506	1.0
87.00883	1.1
87.05672	0.8
89.02455	23.7
90.02799	0.3
95.01399	2.6
95.05049	0.5
97.02964	1.2
97.04133	0.2
97.06619	0.7
99.00889	1.4
99.04539	0.2
99.05655	1.9
99.08160	0.3
101.02457	17.5
101.07230	0.4
102.02847	0.3
102.05657	0.4
102.76682	0.2
109.06600	0.9
111.04562	0.3
112.04067	0.4
112.59170	0.2
113.02463	10.9
114.02788	0.6
119.03521	8.1
120.99812	0.2
121.06642	0.5
123.04589	0.3
123.08180	1.3
124.05310	2.8
125.02476	0.3
125.06149	0.4
127.05132	0.4
128.03554	6.1
131.03531	1.0
131.04611	0.3
135.05711	0.2
135.08180	0.3
136.05321	1.4
137.06137	0.3
137.09769	0.6
139.07672	17.5
140.08020	0.7
141.06731	0.5
141.09325	0.3
143.03542	1.4
143.04654	6.8
145.06169	0.2
146.04633	0.8
149.04561	0.6
149.09747	2.8
151.07671	5.9
151.11305	0.3
152.08043	0.4
153.06744	0.6
153.09169	0.3
155.07161	0.2
159.03026	1.1
160.00763	1.9
161.04578	7.0
161.09760	1.3
162.04958	0.3
163.07674	0.4
163.11346	0.4
164.08365	0.4
166.09879	0.2
167.04665	0.5
167.10805	0.7
169.08733	0.9
170.03363	0.2
173.09778	0.2
175.11302	0.6
177.03432	0.7
177.09244	1.1
179.04576	0.9
179.05682	1.1
179.10796	7.1
180.11150	0.4
181.06197	0.3
181.08693	0.7
185.05746	0.3
191.10878	0.2
193.12367	2.4
194.12833	0.3
197.05783	0.3
197.11855	0.8
203.10774	0.3
205.12460	1.4
210.08824	1.4
211.13377	0.3
221.11874	0.8
223.10052	0.3
223.13388	6.6
224.13762	0.4
241.14449	100.0
242.07906	0.3
242.14786	7.7
254.07835	2.3
272.08850	3.5
285.13437	0.5
288.06607	1.1
306.07660	12.5
343.90012	0.2
403.19760	16.5
404.15125	0.4
404.20044	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	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03446	3.5
58.00598	1.8
58.02673	0.2
59.01381	44.8
60.01720	0.6
61.98831	0.7
69.03458	0.3
69.07556	0.2
69.43080	0.2
70.42710	0.6
71.01387	30.7
71.05031	0.2
72.01732	0.6
72.99311	2.0
73.02953	4.2
75.00876	0.3
81.03477	0.5
83.01393	1.7
83.05015	0.2
85.02959	7.8
87.00884	1.1
89.02454	25.1
90.02803	0.5
93.03517	0.2
95.01408	2.6
95.05025	0.4
97.02977	1.2
97.06593	0.9
99.00887	1.3
99.04504	0.2
99.08183	0.3
101.02457	16.5
102.02810	0.5
105.53043	0.2
107.05045	0.2
109.02975	0.3
109.06596	0.9
113.02464	11.3
113.06098	0.3
114.02788	0.4
119.03519	7.9
120.03859	0.2
121.06554	0.4
123.04556	0.5
123.08172	1.2
123.65141	0.2
124.05331	2.8
125.02476	0.5
131.03540	0.7
135.04584	0.2
135.08182	0.3
136.05315	1.5
137.02454	0.4
137.06007	0.2
137.09737	0.6
138.06866	0.3
139.07671	17.9
140.08018	0.7
141.09242	0.3
143.03523	1.6
149.04578	0.4
149.09735	2.9
151.07660	6.1
151.11343	0.3
152.08040	0.2
153.09213	0.4
155.21207	0.2
159.03033	1.3
159.08162	0.3
161.04579	8.8
161.09729	2.5
163.07671	0.5
163.11290	0.5
164.08435	0.5
165.09175	0.2
167.10770	0.6
169.08716	0.8
173.09776	0.2
175.07684	0.3
175.11317	0.8
177.09235	0.9
179.05655	1.9
179.10793	6.4
179.12384	0.3
180.11180	0.5
181.08699	0.4
181.12329	0.2
187.11461	0.2
193.12328	2.7
197.11812	0.9
203.10764	0.5
205.12303	1.8
211.13393	0.4
221.11984	1.1
223.13396	7.7
223.32094	0.2
224.13734	0.6
239.13075	0.3
241.14445	100.0
242.14784	8.6
242.17360	0.2
253.04707	0.2
283.15399	0.2
285.13348	1.0
318.12289	0.2
385.12845	0.2
403.19757	18.5
404.20105	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	403.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59958	0.5
57.03448	0.9
59.01375	4.3
60.99307	2.8
61.98837	2.3
62.65371	0.5
63.46070	0.4
67.01890	10.0
69.03456	1.9
71.01392	4.6
71.06663	1.5
72.99311	45.7
73.99641	0.6
75.00903	0.6
77.62808	0.4
78.95912	3.8
81.03445	2.9
83.05034	1.0
85.02962	12.7
87.00883	12.9
89.02461	1.3
93.03468	58.4
94.03788	3.0
95.01411	1.4
95.05046	1.0
96.96035	0.6
97.02972	1.0
99.00893	1.0
99.04534	0.9
101.02433	0.9
105.03468	0.7
108.02202	3.1
109.02972	6.6
110.03364	0.6
111.04534	10.6
113.02505	0.6
115.03996	0.6
115.91561	0.5
121.02968	5.1
122.03761	0.5
123.00918	2.1
123.04548	3.7
124.01723	2.9
124.04897	0.9
125.02475	1.1
127.04017	2.5
129.01958	1.2
133.02991	1.5
134.04749	1.4
135.04565	1.0
136.01685	7.2
137.02464	72.9
138.02792	3.3
139.04025	5.8
148.01653	0.6
149.02467	11.5
150.03004	0.6
151.04010	1.9
153.02000	1.2
155.03549	2.9
165.01959	2.4
167.03508	7.9
168.03894	0.5
171.02975	1.2
173.04565	70.6
174.04871	3.1
177.01947	1.0
179.03445	0.8
191.05623	100.0
192.05942	6.6
193.01430	7.3
193.06099	1.3
195.02771	0.6
200.77267	0.5
211.02403	1.8
212.03401	0.7
214.25879	0.6
247.04578	22.3
248.04933	1.5
351.07047	1.0
369.08090	1.2
385.07538	2.2
403.08585	5.3
403.16104	1.2
403.21133	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.0
58.00584	0.9
59.01381	100.0
61.98833	43.8
67.01910	1.0
69.03452	1.4
71.01389	17.2
71.72046	1.3
72.99310	1.9
73.02953	3.1
74.02479	2.2
75.00891	1.7
78.95907	2.3
80.27761	0.7
83.01380	2.2
83.05044	1.2
85.02956	6.0
87.00885	2.9
89.02453	15.8
89.29922	0.7
93.03483	2.4
95.01407	2.6
95.05044	1.2
96.96053	1.0
97.02938	1.0
99.05666	0.9
101.02460	9.6
102.13404	0.7
109.02962	3.0
111.04573	0.9
113.02462	13.1
119.03526	6.3
119.05167	0.8
119.08692	1.7
120.99692	2.3
121.02982	2.5
121.06618	1.0
123.04562	1.1
125.02468	5.6
128.03549	2.0
130.24374	0.8
135.04539	2.4
135.08183	0.9
137.02457	9.1
137.09703	1.6
143.03551	1.2
143.04630	2.5
146.03676	1.4
149.06107	2.0
150.03267	1.4
151.04010	1.0
151.07649	5.9
153.09262	0.7
160.00746	1.3
161.04616	4.8
161.05838	0.9
163.07631	1.1
164.01163	2.3
165.01936	8.5
165.09244	1.8
167.03522	1.2
173.04608	1.0
173.06053	1.1
175.07631	3.0
179.03514	6.6
179.05603	3.4
179.07080	1.4
179.10748	2.3
181.08728	52.8
182.09032	3.2
187.07648	1.9
189.05621	1.0
191.03825	1.0
191.05621	8.0
191.07196	1.3
192.05984	0.9
192.86470	0.7
193.08748	7.7
197.11835	2.4
203.07056	1.4
221.08253	1.3
223.09740	8.2
223.13364	0.9
229.08757	1.3
241.10791	5.0
241.14438	1.8
247.49234	0.8
253.04657	2.1
253.10838	3.5
259.02277	1.0
259.11719	1.1
271.02350	1.5
281.10336	1.9
283.02640	0.9
283.12006	1.5
288.06476	1.0
305.04446	1.2
306.07541	2.9
317.01376	1.7
323.12845	1.3
341.06442	1.2
341.10217	1.5
343.13925	2.6
367.11621	2.6
385.08359	1.2
385.12616	4.3
403.08273	2.5
403.13980	9.5
403.20721	3.6
404.14478	1.3
404.19394	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
61.98841	3.9
61.99105	0.7
65.03960	1.6
67.01894	3.4
69.03458	1.8
71.01378	3.2
71.48257	1.0
71.48598	1.6
72.99316	52.7
75.00900	1.1
77.03993	1.2
78.95927	2.0
81.03472	4.0
83.05051	2.8
85.02968	13.2
87.00893	5.1
93.03470	23.8
95.01418	3.7
95.05025	5.3
96.95991	0.9
97.02964	1.2
99.04549	0.9
105.03477	3.6
105.65438	0.8
107.05075	1.3
108.02208	2.0
109.02988	8.1
111.04536	7.3
115.00397	1.8
121.02986	11.8
123.00940	4.4
123.04552	14.8
124.01683	8.0
125.02460	2.2
127.04041	2.5
133.03023	6.2
135.04541	2.5
136.01674	1.8
137.02475	46.4
138.02800	1.8
139.04037	10.8
141.01971	1.0
149.02489	17.4
150.03172	0.9
151.04071	5.4
153.01973	1.5
155.03517	4.3
165.01949	2.3
167.03529	25.6
168.03909	1.3
171.03029	2.1
173.04572	36.2
176.01196	1.9
177.01923	3.0
179.03535	1.7
189.04077	1.3
191.05637	100.0
192.05975	7.6
193.01474	11.8
194.01959	1.3
195.03000	6.7
196.03282	0.8
201.64217	0.8
211.02510	3.6
229.03534	1.0
247.04556	6.3
359.77664	1.0
369.08047	1.7
403.08694	4.3
403.21448	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48800	0.4
57.03428	1.0
57.05988	0.4
59.01137	0.5
59.01381	5.2
61.98832	25.1
70.11418	2.0
71.01368	1.7
72.99265	0.4
75.00854	0.7
79.01900	0.6
81.03466	0.6
83.01387	3.1
85.02938	0.9
85.72810	0.4
87.00892	0.5
89.02423	1.6
93.03456	0.8
95.01367	0.9
97.02930	1.3
97.06582	0.4
98.19922	0.6
99.04498	0.5
101.02444	1.2
109.02956	3.6
109.06638	0.6
110.03186	0.4
110.58459	0.4
117.03477	0.5
121.02950	1.6
122.03736	0.6
123.00877	1.8
123.04501	1.7
125.02460	12.7
131.05002	0.6
133.03003	0.7
135.04567	0.5
137.02472	18.1
137.09666	0.5
139.04095	0.5
143.05057	0.9
145.02980	0.9
145.06584	0.5
146.03714	1.2
147.04558	0.9
149.02470	4.6
149.99583	0.8
150.03230	2.1
151.00356	1.4
151.03978	0.9
152.15582	0.4
155.05119	0.5
155.10820	0.5
157.06540	0.7
158.03743	1.6
159.04495	2.7
160.05315	0.5
161.02443	1.7
161.04596	0.4
161.06038	0.9
164.01141	1.9
165.01941	8.0
166.02330	0.6
167.03539	1.3
169.01465	0.9
171.04532	1.2
172.05356	1.0
173.02441	0.5
173.06030	2.3
174.03227	1.6
175.03989	1.2
175.07579	2.7
176.04739	1.1
177.01939	1.4
177.09207	0.4
179.03490	2.4
181.05177	0.4
181.08557	0.5
183.04517	1.4
185.06033	1.3
186.03333	0.7
187.04070	2.7
187.07646	2.4
188.04741	0.5
189.01967	1.0
189.05565	0.7
190.02611	0.4
190.99944	0.5
191.03453	0.5
191.05592	0.8
198.03203	0.7
199.04019	2.7
199.09769	1.1
200.04762	1.1
201.05576	2.5
201.09171	1.1
202.02733	0.4
202.06360	0.5
203.03438	0.5
203.07149	2.7
204.04237	0.6
204.85976	0.4
205.04993	1.1
205.08646	1.0
211.03944	1.1
212.04765	0.6
213.09258	0.6
214.02658	1.0
215.03520	4.2
217.01326	0.6
217.08717	1.3
225.01996	1.3
226.02701	0.9
227.03499	6.4
228.04097	0.6
229.05145	2.5
229.08678	2.9
230.02271	1.1
231.02870	0.9
231.06563	0.8
233.04550	0.9
242.02203	0.5
243.02992	6.5
244.03284	0.6
247.09697	3.2
249.06210	0.7
253.01462	2.5
254.35600	0.4
255.02846	0.6
257.08215	0.7
258.01697	11.7
258.04425	0.4
259.02438	18.5
260.02768	1.5
265.10757	1.2
271.02466	66.3
272.03104	12.6
273.04016	50.7
274.04367	4.2
277.50217	0.4
283.02390	0.9
285.03995	3.5
287.01904	1.6
287.05466	0.5
289.07153	0.6
297.04160	0.6
298.01099	1.1
299.01968	31.0
299.12939	0.6
300.02402	4.3
301.03537	100.0
302.03888	9.3
304.02036	0.5
313.03482	2.7
314.00565	1.2
315.01541	2.2
317.03030	76.1
318.03397	7.5
323.13092	2.1
331.04504	1.6
339.05157	0.6
341.03040	0.6
341.06613	1.9
341.10049	0.5
347.01257	0.4
367.04709	2.2
367.11819	4.6
368.12152	0.7
385.05640	2.5
385.12918	5.2
386.13394	0.6
403.06686	10.1
403.13818	4.3
403.19934	2.1
404.06979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2336
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
50.41035	0.3
59.01376	1.6
61.98837	1.0
68.99829	0.6
69.37205	2.8
71.01383	1.1
72.99292	0.2
89.02465	1.2
93.28545	0.3
95.01405	0.4
101.02458	0.7
109.02996	0.5
110.00132	0.5
111.00916	0.3
111.04536	9.7
112.04897	0.3
113.02480	0.4
113.06068	0.4
121.02978	5.4
121.06640	0.6
122.03365	0.4
123.00897	1.0
123.08210	0.4
125.02505	0.3
125.09743	0.6
133.06606	0.6
137.02487	0.5
137.99623	0.3
148.70418	0.3
151.04041	1.5
152.04779	1.6
157.08727	0.5
160.84238	0.3
163.04007	0.7
163.07639	0.5
165.05589	10.1
166.06068	0.5
177.01942	0.3
177.05615	0.5
177.12854	0.7
178.06416	0.6
178.76009	0.3
179.05724	0.5
179.07184	1.0
180.04327	1.6
181.05099	0.3
181.06645	0.4
184.03745	1.5
191.07098	0.9
192.07961	0.3
193.05067	14.7
194.05600	0.9
198.05360	3.8
199.05672	0.3
200.03281	0.8
203.10812	0.3
205.05103	1.8
205.08763	1.6
206.05771	0.6
207.06644	0.3
217.12337	8.4
218.12704	0.9
219.06647	1.6
219.10225	1.5
220.07492	0.6
220.11043	1.0
224.06856	0.6
225.05516	0.4
233.08463	1.3
233.11832	10.6
234.08934	0.4
234.12567	2.3
243.10284	0.3
245.11757	0.4
245.15480	0.5
247.09789	1.1
247.13390	1.9
248.10571	1.6
249.10663	0.3
261.11307	9.8
261.14777	0.6
262.12033	4.1
263.12546	0.3
266.11609	0.5
275.12872	4.0
276.13089	0.5
289.10858	14.0
289.14398	1.8
290.11121	1.4
294.11029	0.5
304.16849	1.1
313.07275	1.4
317.13962	1.5
332.16302	8.9
332.20264	0.5
333.16660	1.3
336.15771	4.4
337.16101	0.4
341.10922	1.7
359.10239	0.3
382.98434	0.3
401.09189	2.1
401.23407	100.0
402.23755	16.5
402.29126	0.6
415.32053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2336
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
54.99736	0.2
56.57216	0.2
57.03455	0.3
69.70937	1.9
83.01403	0.8
95.04991	0.3
98.20695	0.4
102.14374	0.2
123.04505	0.3
124.46786	0.2
137.06001	0.3
138.03250	0.4
149.06152	0.3
151.04015	3.3
152.04706	0.3
163.04021	1.7
165.05580	0.7
167.83849	0.2
175.32108	0.2
177.01942	0.8
177.05460	0.3
178.06371	6.1
178.07860	0.5
179.03523	1.1
180.04298	13.9
181.05081	1.2
186.62511	0.2
191.03529	0.9
193.05074	42.7
194.05693	4.8
203.10945	0.3
205.05063	8.3
206.05855	15.3
207.06245	1.2
217.12396	1.2
219.06621	3.8
219.10204	0.7
231.06551	0.6
231.13910	0.4
233.11813	0.4
233.15451	0.7
245.08224	0.5
247.09732	0.4
261.11304	12.8
262.11789	2.0
273.11313	0.4
274.11948	0.3
275.12872	8.6
276.13254	0.9
289.10822	0.9
289.14441	0.7
299.12930	0.3
314.15097	0.3
317.13962	1.3
324.45319	0.2
331.15637	0.7
332.16287	13.2
333.16760	1.8
357.24344	4.5
358.24716	0.6
401.23340	100.0
402.23685	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	401.2336
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
51.22489	0.2
57.03444	0.6
59.01368	0.8
59.97665	0.3
69.54531	1.8
69.54939	0.6
71.01388	0.4
71.37379	0.3
76.62705	0.2
79.01869	0.3
83.01392	5.1
95.05038	0.5
98.19901	0.5
101.86221	0.3
107.05051	0.4
109.02967	0.5
109.16998	0.3
111.04517	0.5
119.05106	0.3
121.02963	0.7
121.06593	0.7
123.04540	0.6
125.06102	3.8
132.60628	0.2
135.04524	1.2
137.02449	1.2
137.09708	0.5
138.03203	0.5
139.93265	0.3
145.02982	0.5
149.02412	0.3
149.06062	0.6
151.04041	3.0
152.04654	0.3
161.06024	0.4
163.04016	7.4
163.07680	1.4
164.04800	1.6
165.05611	1.9
167.03506	1.1
177.01932	0.6
177.05585	4.2
178.06383	3.7
179.03525	2.9
180.04314	4.2
181.04977	0.5
187.03960	0.3
189.01996	2.3
191.03496	4.4
192.04276	0.9
193.05069	20.4
194.05716	2.4
195.03072	0.3
197.05638	0.3
203.07112	0.3
205.05064	68.1
206.05594	5.9
207.03224	0.4
207.06642	10.2
208.06966	0.6
209.15451	0.7
217.08662	0.3
218.09462	0.3
219.06674	0.4
219.09927	0.3
221.04523	0.9
221.08174	0.5
231.06622	0.6
233.08157	0.4
245.08115	1.3
246.08972	0.5
247.09750	0.4
249.07677	6.7
250.08104	0.8
259.09662	1.4
261.11212	1.2
263.09229	0.8
273.14984	0.8
275.12921	2.3
289.10870	0.7
289.14523	0.8
315.15979	3.7
316.16382	0.8
317.13965	2.8
318.14264	0.5
331.15494	1.1
332.16254	4.7
333.16776	0.8
341.10919	0.4
357.24060	0.4
364.15063	0.6
401.23352	100.0
402.23703	15.4
402.29150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2335
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
57.03428	0.5
59.01381	1.9
61.98823	1.5
67.91730	0.4
68.99822	0.6
71.01367	1.0
71.64091	0.9
79.01884	0.6
83.01397	5.1
89.02467	1.3
95.01417	0.7
95.05058	0.6
97.06557	0.4
110.00134	0.5
111.04546	3.3
113.02453	0.5
121.02968	3.4
121.06651	0.6
123.00864	0.9
123.04528	0.8
135.04561	0.6
137.99594	0.8
149.06126	0.5
151.00381	0.8
151.04025	5.4
152.04829	0.7
163.04004	1.0
163.07698	0.5
163.11275	0.5
165.05589	4.0
176.04776	0.5
177.01857	0.7
178.06349	2.7
179.03511	1.0
179.05559	0.6
179.07083	0.8
179.14522	0.4
180.04294	5.6
181.05171	0.9
181.12346	0.4
184.03801	1.0
185.63896	0.4
191.03600	0.4
191.07164	7.0
192.07689	0.7
193.05077	72.5
194.05771	11.4
195.06206	0.7
198.05365	1.3
205.05107	4.1
205.08727	0.5
206.05847	5.5
207.06586	3.0
208.07188	0.4
217.12338	1.1
219.06668	1.5
233.08350	0.6
247.13211	0.4
248.14093	0.5
261.11304	4.0
262.12027	0.8
273.11444	0.5
275.12900	3.0
277.14496	2.2
286.47269	0.4
289.10858	3.2
289.14175	0.6
289.37375	0.4
298.58978	0.5
313.07239	0.7
315.16187	0.7
317.13959	0.8
330.18555	0.5
331.19119	1.0
332.16287	5.6
333.16833	0.9
341.10901	1.7
357.24545	0.5
401.23389	100.0
402.18918	0.8
402.23715	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95146	0.4
57.03442	0.8
71.05046	0.7
71.73094	0.4
83.01379	2.8
87.17185	0.4
88.63624	0.3
93.79528	0.4
94.17473	0.4
95.05036	0.4
107.05048	0.7
110.26870	0.3
121.06631	1.4
123.04569	0.8
137.02466	0.8
137.06090	0.4
138.03226	0.8
149.06093	1.0
151.04012	3.5
153.87503	0.4
163.07689	3.1
164.07922	0.4
165.05598	6.6
177.01967	0.9
177.71597	0.4
179.03497	2.2
180.04311	4.0
181.05000	1.3
191.03542	1.7
193.05072	44.4
194.05814	12.8
195.06200	1.0
205.05080	4.3
206.05789	0.8
207.06638	57.0
208.06944	4.4
217.12422	0.4
219.06715	1.2
219.13802	1.2
249.07533	0.6
259.09753	1.0
261.11282	4.1
262.12085	0.9
275.12866	3.7
276.12982	0.4
289.14407	1.5
294.10980	0.8
317.13943	0.8
331.15518	1.1
332.16281	3.9
333.16318	0.6
401.23343	100.0
402.23669	15.4
402.29114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12832	0.5
57.03446	1.4
59.01374	1.6
60.52097	0.5
70.08205	0.5
70.59724	2.5
71.01362	0.6
71.05018	0.7
71.87398	0.5
72.49733	0.5
73.20599	0.5
79.01919	1.0
83.01375	2.9
89.02441	0.6
95.05017	1.0
97.40555	0.6
107.05031	1.0
109.02994	0.8
111.04539	0.7
113.02555	0.6
113.49084	0.5
121.02981	1.3
123.04552	1.9
125.02468	1.7
125.06092	2.4
128.31830	0.5
128.36722	0.5
134.62776	0.5
137.02426	0.9
138.03207	0.9
149.02458	0.6
151.00275	0.8
151.04042	10.5
165.01941	0.7
167.03529	8.9
175.04105	0.8
175.11490	0.5
177.01964	1.9
177.09097	0.6
178.06383	0.9
179.03516	1.4
180.04286	6.9
181.05013	1.0
193.05077	47.8
193.12352	0.6
194.05798	7.8
195.03026	2.3
205.05099	4.7
206.05766	1.1
207.06664	2.5
207.10300	0.9
217.08643	1.9
219.10280	2.1
221.08228	1.4
233.11824	1.0
235.09766	39.0
236.10066	3.0
237.11337	9.2
238.11714	0.8
275.12881	16.5
276.13232	1.5
289.10876	1.3
299.12933	2.7
313.14349	0.8
314.15375	0.7
317.21158	2.5
331.15720	0.8
332.16315	6.5
341.10675	0.8
383.22177	1.7
401.23358	100.0
402.18906	1.0
402.23737	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	401.2334
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.67863	0.4
69.79385	2.2
69.79826	0.6
71.05003	0.6
83.01398	1.8
83.05036	0.5
137.02480	0.7
138.03300	0.5
149.06093	0.9
151.04030	7.3
163.07680	0.8
165.05606	1.9
166.06317	1.0
177.01955	1.4
179.03525	1.6
180.04288	3.0
181.05058	0.9
191.03499	0.5
193.05075	84.2
194.05823	31.4
195.06184	1.5
205.05074	3.2
206.05847	0.7
207.06622	5.7
219.06598	0.7
249.07552	0.6
275.12927	0.6
315.15643	0.5
331.15497	0.8
332.16196	3.1
333.16647	0.5
357.24615	0.7
359.22183	0.5
378.21341	0.5
401.23337	100.0
402.23676	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	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03450	0.5
58.00592	1.4
59.01381	100.0
60.01718	1.3
61.98841	1.1
71.01390	20.8
72.01746	0.5
72.99320	1.4
73.02961	0.4
78.93661	0.3
81.42712	0.3
83.01405	0.7
85.02966	2.8
87.00893	1.4
89.02455	34.0
90.02802	0.7
93.03477	0.4
93.18079	0.3
95.01421	1.1
97.03026	0.5
101.02458	9.5
109.02991	1.4
113.02470	9.2
119.03519	11.5
121.02985	0.5
125.02493	1.3
131.03523	1.4
135.04532	1.0
137.02467	0.8
139.04056	1.0
140.32590	0.3
143.03532	2.9
149.02574	0.3
149.04628	1.1
150.55742	0.3
151.03995	0.5
153.01936	0.7
161.02524	0.6
161.04611	2.7
161.09821	0.5
173.04591	0.5
179.03835	0.5
179.05629	10.1
180.05957	0.4
181.05165	1.1
191.04045	0.5
191.05603	2.8
192.06023	0.3
195.13852	2.2
203.07271	0.4
204.26825	0.3
229.41577	0.4
239.09323	1.0
239.12967	1.4
245.08278	0.6
289.07196	2.0
290.07681	0.4
341.07312	0.4
341.10974	1.9
401.12439	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01880	2.6
57.03447	3.7
58.00594	1.4
59.01384	32.0
66.91346	0.3
69.50500	3.2
69.50921	0.7
71.01389	21.9
72.99321	1.4
73.02950	4.5
81.03488	0.6
83.01390	5.5
85.02960	10.4
87.00897	1.3
89.02453	10.6
93.03481	1.3
95.01402	1.7
96.96001	0.6
97.02995	0.5
99.00877	2.4
101.02456	16.0
109.02988	1.1
111.00990	0.5
111.04510	0.7
113.02464	7.7
118.86752	0.4
119.03531	3.2
121.02953	0.8
123.04519	0.6
123.08168	3.0
125.02444	1.4
135.04538	0.5
137.02341	0.5
141.01894	0.7
161.02626	0.5
161.04581	1.4
161.05913	0.4
161.09740	0.6
163.04028	0.5
164.79156	0.4
167.03490	1.2
168.03894	0.6
173.04521	0.8
177.12848	6.8
178.13167	0.6
179.05598	0.5
191.05620	4.7
192.06018	0.6
195.13925	3.0
221.08223	0.9
221.11821	4.2
239.12852	0.7
263.09238	1.5
338.05447	0.4
339.12427	0.5
341.10968	1.2
357.19171	0.4
401.18207	100.0
402.13147	0.6
402.18497	11.8
421.24625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.4
59.01381	66.3
61.22024	1.1
62.69713	1.2
67.02640	1.1
71.01385	39.6
71.04253	3.6
72.99323	3.0
74.76847	1.1
76.25285	1.2
83.01414	1.4
85.02971	10.3
87.00890	3.8
89.02452	56.8
95.01405	3.0
99.00900	1.6
101.01800	1.5
101.02454	21.6
108.02212	2.7
112.98843	2.4
113.02474	18.4
119.03520	17.1
131.03508	3.2
143.03500	3.2
149.04568	2.6
151.86896	1.4
152.01161	2.5
161.04544	3.4
173.00879	1.2
179.05626	25.6
180.05855	1.5
182.81305	1.2
191.05624	56.0
192.05931	1.9
197.04556	1.4
211.46298	1.2
324.03885	1.4
341.10904	100.0
342.11148	8.8
357.08289	2.3
401.11346	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81928	0.5
57.03444	0.6
59.01380	100.0
60.01717	1.1
61.98834	9.9
71.01383	5.9
71.42713	1.1
72.00904	0.6
72.77662	0.4
72.99312	2.3
73.02965	0.5
74.99095	0.6
75.00889	0.9
83.01386	0.5
85.02958	2.7
87.00912	1.9
89.02459	8.5
93.03484	3.1
95.01428	0.8
97.03027	0.4
101.02464	3.0
107.05055	0.9
108.02216	1.9
109.02991	3.7
111.00909	0.5
111.04521	1.0
113.02468	2.6
119.03556	2.3
119.05068	1.4
121.02991	0.4
123.00920	0.8
123.04556	1.3
124.02320	0.7
124.04089	1.5
134.03867	0.7
135.04530	2.5
137.02455	0.9
138.03242	0.6
139.00409	0.7
146.03772	17.5
147.04208	1.4
151.04097	0.6
152.01180	0.9
153.01990	1.2
153.05629	0.5
155.03557	0.6
161.04668	1.4
161.06146	7.0
162.03224	0.5
162.06522	0.6
163.04077	2.0
164.04831	12.1
165.05373	0.9
173.04594	2.1
177.01961	0.7
177.05585	0.9
179.03728	1.5
179.05704	1.9
179.07156	53.3
180.07481	2.4
182.02283	1.1
187.07678	0.8
191.05638	17.9
191.07344	0.9
192.05981	1.1
193.01529	0.5
194.08305	0.9
195.08708	1.1
195.10368	2.3
197.04509	2.5
215.07269	0.5
217.08813	0.7
239.09251	1.0
257.08328	0.6
278.03845	0.5
292.09622	0.6
295.09717	0.7
315.07095	0.7
339.12585	1.4
341.10962	7.7
342.11093	0.7
357.08368	1.9
390.88181	0.5
401.12921	7.9
402.13431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21338	1.1
55.61318	1.1
57.03450	1.6
58.00583	2.0
59.01381	59.2
71.01384	38.8
71.12463	2.7
71.27827	1.0
72.99299	2.1
73.02950	2.6
78.23482	1.3
83.01416	1.9
85.02958	15.1
87.00886	8.9
89.02453	56.2
93.03431	3.0
95.01383	2.2
99.00885	2.4
101.02454	19.5
108.02191	14.3
109.03002	7.5
112.98788	3.4
113.02457	15.7
119.03515	18.0
125.02544	1.6
127.04026	1.4
131.03528	3.1
143.03513	2.4
151.04001	1.2
152.01170	12.2
153.01929	5.7
161.04585	6.3
173.00870	1.3
179.05643	21.6
179.07150	2.5
191.05629	100.0
192.05954	4.2
265.07281	3.0
332.60812	1.3
341.10895	93.0
342.11206	10.3
357.08264	14.7
401.10922	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
56.89047	1.1
59.01382	14.8
61.98823	6.3
65.02576	1.2
68.99824	1.6
69.03466	0.9
71.01392	9.7
71.28225	1.4
71.28554	1.3
72.99306	3.2
73.02954	4.5
75.00873	1.0
83.01368	1.1
85.02966	8.6
87.00884	56.4
88.01200	1.5
89.02461	8.4
93.03477	4.5
95.01398	1.4
97.03017	0.9
99.00901	2.0
101.02477	5.3
108.02176	2.8
109.02965	4.0
111.00873	2.4
111.04517	1.9
113.02499	5.2
119.03487	3.8
121.02975	3.4
123.00920	5.2
123.04530	3.2
127.04031	1.1
135.04529	3.4
137.02451	2.7
138.03250	2.8
149.02455	3.7
151.00377	3.0
151.04054	3.8
152.01172	2.1
153.01955	2.6
153.05588	3.2
161.02438	9.1
163.04012	17.1
164.04803	16.7
165.02003	1.5
165.05547	4.2
166.02737	7.6
173.02443	3.0
173.04561	2.5
175.03966	3.0
176.04765	9.9
177.01892	3.3
177.05487	2.9
178.02751	1.3
178.06345	14.7
179.03506	9.4
179.05568	3.5
179.07120	27.7
180.07571	1.5
181.05084	7.9
182.05553	1.3
187.03964	2.3
188.04829	1.4
189.01884	1.0
190.02760	2.5
191.03519	19.2
191.05600	14.3
191.07213	6.0
192.04137	2.0
193.05057	9.7
193.08730	4.4
194.05922	6.7
197.04576	1.3
198.31671	1.0
201.01920	1.1
202.06445	1.2
203.03531	5.8
203.07164	1.3
204.04274	2.2
205.05043	7.6
206.05849	6.4
207.03036	2.5
207.06613	2.3
208.07440	2.1
209.01010	1.5
209.08214	9.0
215.03381	1.0
217.05083	1.8
218.05858	4.9
219.02945	5.6
220.03633	2.1
221.04553	4.0
221.08223	8.2
231.02966	1.6
234.05374	3.4
235.02469	1.7
235.06082	4.1
236.06934	2.6
237.07642	3.4
238.04857	2.2
240.46097	1.1
247.02411	7.4
247.06096	4.7
249.07793	6.8
250.04837	2.9
251.09167	1.2
261.07715	2.1
262.04852	10.8
265.07159	56.5
266.07437	4.9
277.07169	26.3
278.07452	2.9
279.08649	1.1
291.08676	1.7
295.08228	70.2
296.08597	6.7
325.09256	1.4
337.09329	2.8
341.10901	14.1
342.11139	2.1
351.88849	1.0
355.10330	23.7
356.10648	2.5
357.08356	2.7
383.09818	9.2
384.10608	1.2
390.52200	1.0
401.10910	100.0
402.11310	12.4
421.73389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36308	0.5
59.01381	4.3
61.98821	1.3
69.03458	0.6
69.81380	3.3
71.01397	2.8
72.18741	0.5
72.99307	0.7
73.02965	0.8
76.71719	0.5
81.03471	1.2
85.02959	3.9
89.02452	1.7
90.41536	0.5
93.03484	1.2
95.01403	2.2
99.00897	0.5
101.02467	1.6
108.02190	100.0
109.02991	35.4
110.03341	1.3
113.02461	1.9
119.05030	0.9
120.05361	0.5
121.02956	0.8
123.00898	1.7
123.04560	0.6
133.03014	0.6
135.04486	0.7
137.02484	0.5
149.26488	0.5
151.04028	1.9
152.01176	68.6
153.01976	21.2
154.02271	1.0
163.04027	2.0
164.04539	0.9
165.01953	1.6
173.04529	0.6
179.03662	0.8
179.05574	0.7
191.05626	4.0
192.05937	0.6
219.52180	0.5
242.45506	0.5
247.56560	0.6
249.06168	2.1
315.07281	2.5
316.32318	0.5
341.10971	2.0
357.08279	82.9
358.08658	8.4
401.11206	1.3
406.19443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70161	0.3
51.69082	0.2
52.81334	0.3
57.03439	0.5
58.18333	0.3
59.01379	2.9
61.98833	100.0
66.74870	0.3
69.64921	0.8
69.65340	1.4
71.01385	1.3
72.99337	0.7
74.99103	4.3
75.99436	0.6
76.98708	0.5
81.03463	0.3
85.02992	0.8
87.00924	0.8
89.02446	1.9
93.03469	0.4
95.01436	0.4
101.02467	1.0
108.02206	1.7
109.02992	1.1
111.04544	0.6
113.02489	0.6
113.06086	0.3
119.03557	0.6
119.05050	1.9
122.95257	0.3
135.04568	0.6
136.99168	4.5
137.02486	0.4
137.99510	1.2
138.98758	0.9
151.04053	0.3
151.15700	0.3
152.01231	1.2
153.01962	1.1
162.95801	0.3
163.04073	2.4
173.04597	0.5
179.05676	0.8
191.05609	3.9
192.06039	0.3
204.76570	0.3
207.39581	0.3
229.47791	0.3
264.35239	0.3
280.57492	0.3
337.09381	1.2
341.10895	2.9
357.08221	1.9
400.13620	1.0
401.12442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01373	1.1
61.98833	100.0
62.98537	0.3
68.00208	0.2
69.07980	0.2
69.41534	1.6
69.41953	0.9
71.01396	0.8
71.43655	0.2
75.36378	0.2
78.41768	0.2
83.01408	0.3
84.58349	0.2
85.02987	0.4
87.00909	0.5
89.02466	0.3
93.03513	0.6
97.66903	0.2
99.00903	1.3
101.02488	0.6
104.11121	0.3
109.02993	0.7
109.54954	0.2
111.00907	0.3
113.02506	0.4
115.00386	1.3
119.05029	0.3
121.06648	0.3
124.01591	0.2
133.03003	0.4
135.04594	0.6
139.00414	0.7
149.06145	1.4
149.09769	0.6
157.01535	0.3
161.02422	1.4
161.06119	0.3
163.03976	0.5
164.78127	0.2
165.02003	0.3
167.13588	0.2
173.04559	0.7
175.02518	1.3
175.04010	0.5
177.01985	2.0
177.09233	2.2
179.03494	0.3
189.05478	0.3
191.05635	4.1
203.10855	0.5
206.02254	0.5
221.11897	1.5
233.04480	1.6
237.04112	0.5
239.13040	0.7
264.62387	0.3
277.03561	5.6
277.06335	0.4
278.03903	0.5
291.89667	0.2
319.04639	2.3
337.05817	2.4
337.09412	0.4
341.11005	0.7
400.05273	1.7
401.06009	0.4
401.12314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
57.03443	3.5
58.91159	0.8
59.01379	14.0
60.99319	1.1
61.98834	87.0
67.01897	3.9
69.03461	1.9
71.01038	2.0
71.01382	11.1
72.99303	1.4
73.02966	3.7
78.33732	0.8
79.96999	0.9
83.01414	2.1
85.02962	10.1
87.00885	5.8
89.02454	3.3
89.34895	0.8
93.03469	22.0
94.03817	1.4
95.01421	1.0
97.02917	1.0
99.00864	1.9
101.02464	8.1
109.02970	3.3
111.00903	1.1
111.04546	3.5
113.02456	5.7
119.03520	1.1
119.05003	6.1
121.02964	2.0
121.06623	3.0
123.04551	3.0
127.04006	1.1
129.01965	1.5
131.03558	1.7
135.04578	2.3
135.08188	0.9
137.02451	2.0
142.19548	0.9
144.05820	2.5
145.03030	1.6
149.09785	5.3
151.07744	1.3
153.01982	1.9
155.03557	1.3
159.08162	1.6
161.02556	0.9
161.04579	6.2
161.05844	1.0
163.03992	7.2
165.01945	1.0
173.04584	21.0
173.06038	1.8
174.04916	1.2
177.09222	19.3
179.03648	1.1
179.05650	1.4
179.10814	1.6
188.08533	1.2
191.05634	100.0
192.05902	5.0
203.10806	3.3
205.08698	1.5
221.11838	11.5
229.01733	1.0
239.09221	2.3
239.12898	4.0
269.10309	10.3
292.09735	1.4
337.09299	23.4
338.09695	3.7
339.12274	1.3
341.10861	3.9
353.76706	1.0
400.13303	1.3
400.20828	1.3
400.94012	0.9
401.12531	4.2
401.18604	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	399.2538
Annotation	Ophiobolin A
Peak:m/z	Relative Intensity
57.03456	1.2
57.52116	0.6
59.01369	0.8
65.78161	0.6
68.99806	1.0
96.04913	0.6
98.19911	1.5
111.04546	1.7
122.03772	1.4
125.06146	1.7
125.72659	0.7
149.02470	3.5
150.12718	0.6
173.87592	0.6
179.07103	0.7
189.09227	3.8
192.07948	12.8
201.09253	1.2
202.09941	1.8
205.08707	1.3
219.10254	1.0
229.08682	1.0
229.31337	0.7
241.12323	3.3
242.13214	0.5
244.11006	0.9
245.11623	1.0
246.16214	0.7
257.11890	0.8
259.13376	70.2
260.13708	7.4
261.14932	2.0
269.12003	0.9
273.14944	0.9
287.12857	12.7
287.15848	1.0
288.13162	1.2
312.17334	0.9
313.18076	5.7
314.18607	0.8
315.15900	1.4
329.17575	2.0
330.18375	14.9
331.18832	1.6
399.25473	100.0
400.25876	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
59.01364	0.6
62.47808	0.5
68.33479	0.5
72.82617	0.6
83.96138	0.4
98.19904	1.2
111.04530	0.7
119.05009	0.8
122.03781	0.8
125.02454	1.8
132.05882	0.6
135.04533	1.4
137.02463	1.4
143.08665	1.4
149.02470	1.1
149.06053	1.5
159.08179	0.9
161.09746	4.3
162.06912	0.6
163.04051	4.5
163.07632	0.8
173.06145	0.7
175.04025	0.6
177.09209	1.4
179.07149	3.6
180.07831	1.4
187.07632	3.6
188.08348	0.7
189.05611	13.5
189.09190	2.7
190.06291	1.4
191.07159	1.8
192.07954	2.9
201.02234	0.5
203.07173	2.5
203.10794	1.2
205.08710	100.0
206.09085	7.9
209.98026	0.5
215.14464	0.6
241.12378	1.7
246.12241	0.6
248.14174	0.6
259.13361	6.1
260.13782	0.7
273.14929	3.6
274.15738	35.1
275.15982	3.7
287.12805	2.3
287.16104	1.0
312.17068	0.7
313.18164	1.3
330.18390	3.2
331.18738	1.0
399.25439	97.3
400.20673	0.9
400.25781	16.1
409.53769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1452
Annotation	Dihydroanhydropodorhizol
Peak:m/z	Relative Intensity
57.03457	0.6
59.01380	1.3
60.64405	0.3
61.98817	0.4
63.02390	2.2
63.36361	0.4
65.00325	2.1
71.01404	0.5
71.72392	0.4
74.24698	0.4
83.01392	1.7
85.03001	0.4
93.03504	0.4
101.02435	0.3
107.01411	2.5
123.00901	0.4
123.22896	0.3
124.01688	0.9
125.02465	2.2
126.12711	0.3
137.02457	1.3
142.12433	0.3
143.08656	0.6
145.02998	0.4
149.02444	0.3
151.00389	4.2
152.01161	1.2
157.06621	0.4
161.02454	3.5
162.02977	0.3
165.01982	0.8
171.08182	0.6
172.05215	0.3
177.01929	0.7
185.09731	1.0
187.11340	0.5
188.04654	0.4
189.01958	6.2
190.02650	1.4
191.03534	1.7
195.08089	0.4
197.06006	0.5
197.09894	0.3
200.11617	0.3
201.09235	0.5
203.03497	2.4
204.04279	3.7
205.04942	0.5
209.09793	0.5
211.07651	0.6
215.03477	2.5
216.04124	0.4
217.05063	0.7
225.05510	0.3
227.03517	10.1
228.04108	1.8
229.05086	1.0
236.03369	2.0
240.04259	0.9
241.05072	7.7
242.05530	0.6
243.02940	0.7
251.10605	0.5
253.05035	2.1
253.08807	0.4
255.06679	3.6
256.03793	1.3
256.06870	0.3
257.04550	2.5
265.05002	0.6
266.05728	0.4
267.06592	7.3
268.07233	1.7
269.04587	0.5
269.08209	1.2
277.08627	0.4
279.06534	1.8
280.07166	0.5
281.08191	31.4
282.08618	3.7
295.09778	27.3
296.10251	4.5
297.07767	5.3
297.11267	27.9
298.08392	0.6
298.11734	2.8
299.05649	4.3
311.09201	0.4
314.07895	3.2
315.08240	0.6
321.11185	0.6
325.20090	0.5
337.14395	1.3
339.12454	0.7
353.14047	1.2
355.15521	23.0
356.15884	2.8
362.93295	0.3
399.14517	100.0
400.14871	13.8
400.20279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03447	5.5
59.01381	22.0
61.98825	4.5
67.01900	6.7
68.99826	6.7
69.03465	3.1
69.55991	10.7
71.01387	37.8
72.99303	3.9
73.10610	1.4
75.00879	1.4
80.25983	1.3
82.35621	1.4
83.01396	6.0
83.05032	1.2
85.02962	44.3
86.00123	1.3
86.03320	1.3
87.00885	15.8
89.02463	4.4
91.04021	3.0
91.05547	48.8
92.05872	3.0
93.03493	3.2
95.01392	8.9
97.02961	1.9
98.03059	1.3
99.04511	1.3
101.02471	3.6
103.00380	3.8
105.83278	1.5
109.02962	2.2
111.00906	8.9
111.04507	2.3
112.01750	1.8
113.02468	58.9
115.04008	1.5
117.03479	14.2
123.04533	2.0
127.04025	1.3
129.01967	3.6
135.04547	62.8
136.04857	3.2
136.38052	1.2
137.02492	1.6
139.00395	3.0
139.04036	1.9
143.03584	1.8
158.95361	1.5
161.02403	1.5
161.04607	1.9
161.75870	1.5
162.03281	1.8
165.01959	1.7
175.03961	2.9
177.05630	1.7
191.05635	16.0
195.06697	2.1
205.07164	18.7
205.08954	1.7
231.05006	1.8
237.07733	1.6
237.09901	1.8
249.06100	8.4
251.11195	6.2
263.07700	48.5
264.08023	3.9
281.08780	100.0
282.09314	6.9
399.12991	64.0
399.24432	2.3
400.13287	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	399.1453
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
50.18687	0.3
57.03435	0.9
59.01371	2.6
61.98817	1.4
63.02399	1.1
64.12112	0.4
65.00323	1.6
71.01389	1.8
71.71764	0.6
73.02951	0.4
76.92645	0.3
81.03493	0.3
83.01401	1.2
85.02964	1.0
89.02441	0.6
95.01435	0.8
97.36085	0.3
99.72826	0.3
101.02470	1.5
101.03999	0.7
107.01414	2.1
108.02212	0.4
111.00872	0.6
113.02461	1.1
119.05045	2.3
123.00878	1.0
124.01698	1.6
125.02470	3.5
129.03481	0.8
131.05028	0.9
135.03587	0.3
137.02426	0.8
141.07140	0.7
145.02960	4.8
145.06660	0.4
146.03487	0.4
147.04539	0.7
151.00400	4.1
152.01218	1.9
157.06601	3.0
159.04495	0.4
161.02431	1.8
161.04581	0.7
171.08206	0.4
177.01958	0.5
178.99889	1.1
183.04436	0.4
185.06085	1.2
185.09714	0.7
189.02016	2.4
190.02705	1.3
191.03513	1.5
191.05414	0.4
196.08934	0.4
199.03937	0.6
201.05609	0.5
203.03461	1.7
204.04265	1.6
211.07784	0.6
213.09276	0.5
215.03511	2.7
216.04221	0.5
217.05029	0.8
227.03488	7.6
228.04173	1.8
229.05069	6.9
236.03372	0.8
240.04277	0.7
241.05054	5.3
242.05643	0.4
243.02979	11.9
244.03395	1.4
253.05093	0.9
255.06618	7.6
256.03757	1.4
256.06912	0.8
257.04590	2.1
267.06610	3.5
268.07306	0.9
269.05362	0.6
269.08176	3.8
270.08923	2.2
272.03198	0.6
279.06665	1.0
281.08191	16.1
282.08643	1.5
283.16971	0.7
287.02106	0.4
287.09323	0.8
295.09781	12.5
296.10358	2.0
297.07721	4.5
297.11362	11.7
298.08401	0.7
298.11755	1.6
299.05646	4.2
300.06000	0.7
301.03671	0.8
302.04297	0.8
314.07944	3.5
315.08420	0.4
325.20206	0.6
337.14441	0.8
353.14282	0.4
355.11197	0.5
355.15527	9.0
355.19702	0.7
355.68756	0.4
356.15759	0.9
399.14532	100.0
400.14822	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12756	0.3
56.36367	0.3
59.01384	1.0
67.13306	0.3
70.02684	1.4
71.01386	1.2
79.05529	2.4
81.03468	11.6
85.02963	0.5
93.03489	0.6
98.20653	0.4
105.03455	0.7
109.06615	0.5
113.02475	0.6
122.03783	1.7
123.04543	77.1
124.04877	3.6
125.02467	0.9
125.09737	3.3
145.74168	0.4
147.08234	0.5
149.02467	1.4
149.09732	4.4
151.07669	1.9
160.08972	0.6
167.03473	2.5
175.07686	0.5
175.11343	1.0
189.72488	0.5
191.05482	0.7
193.08710	100.0
194.09033	7.8
197.04549	0.6
217.08716	0.4
219.06633	5.6
219.10242	1.5
220.06992	0.6
235.09782	0.8
236.98932	0.4
237.07700	2.4
279.08560	0.5
287.07672	0.8
397.64536	0.4
399.12967	82.3
400.13336	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94900	0.3
53.13541	0.3
54.96834	0.3
57.03445	2.1
57.48645	0.3
59.01374	1.0
60.28011	0.3
61.98833	0.3
68.99806	0.6
69.03461	0.4
69.88682	2.2
71.01384	0.4
71.05017	0.6
81.03465	11.9
82.03770	0.3
83.01392	2.3
87.00911	0.4
88.35451	0.3
93.03475	0.7
95.01401	0.4
95.05038	6.1
96.05280	0.3
97.02967	3.8
97.82203	0.3
98.19958	0.6
99.04536	12.4
100.04846	0.3
101.02479	0.5
102.30274	0.4
104.09912	0.3
105.03459	0.4
109.02948	0.4
111.04527	1.6
113.02390	0.3
113.15598	0.3
119.57706	0.3
121.02980	0.3
123.04543	7.0
124.04903	0.4
125.02466	31.5
126.02784	1.0
135.04613	0.8
137.02480	4.6
139.04024	4.4
149.02455	0.7
151.04044	1.3
153.05554	0.6
159.64529	0.3
164.01239	0.4
165.01941	0.6
167.03517	100.0
168.03844	4.7
179.03529	2.3
191.05667	1.5
193.08696	0.4
197.03127	0.3
197.04568	19.7
198.04887	1.1
209.04643	1.1
269.06775	1.5
279.08743	21.2
280.08987	1.8
287.07730	11.9
288.08176	0.9
291.08765	0.4
309.09720	4.5
376.79825	0.3
381.11874	1.0
399.13028	17.6
400.13397	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	398.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99036	0.7
57.03460	0.9
59.01377	18.7
61.98832	100.0
71.01399	2.9
71.71495	1.0
72.99319	1.1
75.00858	1.0
83.01414	1.4
85.02962	1.6
87.00886	1.3
89.02480	0.9
93.03482	0.8
113.02517	0.9
115.00377	1.3
121.35626	0.7
123.04537	1.0
125.02467	1.8
125.06122	0.7
133.01422	3.5
137.02454	0.8
148.02399	1.7
148.08536	1.1
155.00894	0.7
183.06747	0.7
191.05653	2.7
206.85912	0.7
235.06125	1.4
236.06488	3.2
237.07764	0.7
239.12938	2.5
249.07910	0.9
249.13477	2.9
272.62036	0.9
283.11774	1.3
297.67435	0.8
329.98099	0.7
398.12033	1.0
399.09613	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	399.1296
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester
Peak:m/z	Relative Intensity
52.30790	0.2
53.17138	0.2
57.03450	5.9
58.03788	0.2
59.01374	0.5
63.02422	0.4
65.00320	0.6
69.03452	0.3
71.01388	0.5
72.94833	0.2
81.03471	2.4
83.00894	0.4
83.01397	7.5
85.02975	0.3
93.03464	0.5
95.05052	0.4
97.02968	1.2
98.20741	0.4
101.02467	0.3
105.03519	0.3
107.01398	1.4
108.02197	0.2
109.03011	0.3
109.06598	0.4
111.04534	1.7
113.02425	0.2
121.02982	3.8
123.00959	0.2
123.04540	0.8
124.01732	0.4
125.02467	100.0
126.02798	3.4
135.04517	0.4
137.02492	0.3
139.04051	2.7
149.02470	12.1
150.02826	0.6
151.00388	2.0
153.05725	0.2
161.04588	0.7
163.04074	0.4
167.03519	6.3
169.01443	0.4
173.02448	0.8
175.00267	0.2
179.03552	1.6
191.03552	0.6
191.05620	0.4
193.08727	0.8
195.06633	0.3
209.04523	0.3
218.69765	0.2
219.06567	1.4
229.90891	0.2
237.07695	14.9
238.07983	1.3
244.65721	0.2
261.07697	4.3
262.08130	0.3
279.08743	1.3
280.09406	0.2
287.07770	3.5
288.08209	0.4
291.08783	0.3
329.08820	0.3
339.10760	0.4
381.11359	0.3
399.13000	12.7
400.13388	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	397.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01371	2.2
61.98822	1.1
67.01880	0.3
67.24341	0.3
71.01380	1.0
71.06215	0.9
73.02953	0.5
77.93633	0.3
81.03461	0.5
83.05022	0.4
85.02958	7.5
86.03330	0.3
87.00898	1.8
89.02438	0.4
93.03472	2.9
99.00899	0.5
99.04514	0.4
101.02460	0.7
109.02973	0.7
111.04523	0.9
112.98831	0.5
113.02431	0.4
113.06106	0.8
118.06284	0.3
124.79904	0.3
127.04011	2.1
130.08762	1.1
131.58815	0.3
137.02492	0.4
161.04437	0.4
171.03044	0.6
173.00906	0.6
173.04567	1.0
175.06177	0.6
191.05638	100.0
192.06000	4.5
203.73531	0.3
300.51038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	46.0
58.73053	1.0
59.01381	89.2
60.01696	1.6
61.98830	1.5
69.03442	3.9
71.01384	12.4
73.02954	11.0
73.73435	1.2
80.70330	1.2
81.03465	32.8
83.01396	11.0
85.02972	5.6
89.02457	7.4
89.75228	1.2
95.01402	1.2
99.04541	2.2
101.02457	42.2
113.02465	27.7
113.06101	100.0
114.06420	3.8
115.04040	8.7
119.03520	7.9
125.02456	2.2
131.03555	3.4
143.03476	2.6
147.58543	1.2
161.04596	7.7
175.06133	84.1
176.06458	4.5
176.63565	1.2
179.05685	1.6
217.07161	4.1
221.06615	1.5
247.08192	3.4
271.05145	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98833	100.0
62.98551	0.5
63.24035	0.3
71.01382	0.4
71.05411	0.8
81.03492	0.5
85.02971	1.0
93.03513	0.5
101.02454	0.5
109.03007	0.5
111.08195	1.2
123.04548	3.7
135.04550	0.7
139.72260	0.4
146.04253	0.3
151.07735	0.4
153.05632	0.6
159.70528	0.4
173.04727	0.5
173.08208	6.0
179.53938	0.4
181.63541	0.4
191.05630	8.8
191.07338	0.5
193.08711	2.6
307.58725	0.4
312.98300	0.3
335.09052	0.3
335.13770	1.2
398.19183	1.3
399.13080	2.0
399.20209	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	398.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99036	0.7
57.03460	0.9
59.01377	18.7
61.98832	100.0
71.01399	2.9
71.71495	1.0
72.99319	1.1
75.00858	1.0
83.01414	1.4
85.02962	1.6
87.00886	1.3
89.02480	0.9
93.03482	0.8
113.02517	0.9
115.00377	1.3
121.35626	0.7
123.04537	1.0
125.02467	1.8
125.06122	0.7
133.01422	3.5
137.02454	0.8
148.02399	1.7
148.08536	1.1
155.00894	0.7
183.06747	0.7
191.05653	2.7
206.85912	0.7
235.06125	1.4
236.06488	3.2
237.07764	0.7
239.12938	2.5
249.07910	0.9
249.13477	2.9
272.62036	0.9
283.11774	1.3
297.67435	0.8
329.98099	0.7
398.12033	1.0
399.09613	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	396.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01649	0.3
59.01385	1.5
61.98831	100.0
71.01397	0.4
89.02469	0.3
94.74213	0.3
96.95956	0.3
98.20728	0.5
101.02473	0.4
101.06123	0.3
106.04070	0.3
109.06628	1.1
113.02431	0.3
115.00410	0.3
127.07670	5.3
128.08005	0.4
131.05057	0.3
149.06123	0.8
171.06657	11.5
172.06982	0.8
191.05606	0.4
213.07787	0.4
237.04141	0.4
297.64706	0.3
333.11975	2.8
337.05811	0.6
337.18665	0.4
345.44977	0.3
378.93814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21526	0.4
56.77728	0.3
59.01381	1.2
67.01913	0.4
69.03461	0.4
71.01353	0.8
83.37736	0.4
85.02958	8.0
87.00882	1.6
93.03466	3.1
96.96980	0.5
99.04504	0.4
104.10580	0.4
109.02991	0.6
111.00896	0.7
111.04536	1.4
114.04930	0.3
125.46918	0.3
127.04042	2.1
155.03470	0.5
171.03030	0.7
173.04561	1.7
191.05627	100.0
192.05939	5.0
197.91750	0.4
259.48645	0.4
330.90192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01378	2.2
60.29532	0.2
61.98832	1.5
69.03440	0.2
71.01376	0.5
73.02945	0.2
83.05023	0.4
85.02956	2.2
85.06596	2.1
87.04517	1.5
95.01401	1.0
95.05025	2.3
96.02189	0.7
97.02956	1.0
97.06667	0.2
107.05058	0.2
108.02225	0.3
109.02994	0.4
109.06583	0.5
111.04530	3.6
111.08169	2.7
113.02447	0.9
113.06086	1.2
121.06598	0.5
122.03742	0.3
123.04538	0.4
123.08179	0.8
124.05297	0.3
125.06084	0.5
127.07697	0.2
131.19849	0.2
135.04651	0.2
137.06084	0.6
137.09860	0.2
139.07666	2.9
141.05492	0.4
141.09256	0.4
145.02907	0.2
149.06097	0.4
151.07704	0.3
151.11325	0.2
153.09232	0.9
155.07149	1.5
163.04031	0.5
163.11266	0.3
165.05560	1.7
165.09196	0.5
167.07147	1.4
177.01924	0.5
179.07187	0.3
181.05083	2.0
181.08656	0.2
183.06635	14.5
184.07069	0.9
189.09343	0.3
191.03462	1.7
191.07184	0.7
192.07915	0.6
193.08379	0.2
200.69164	0.2
205.12267	0.3
206.09225	0.2
207.10272	0.3
208.07368	1.5
209.08098	0.9
211.13393	1.3
219.06650	1.1
219.10246	0.6
221.08180	0.9
223.06044	0.3
231.10233	0.4
233.08157	0.3
233.11624	0.2
234.08990	2.6
235.09541	0.3
237.07706	0.4
243.10258	0.5
247.09711	0.5
249.11363	0.3
259.13330	0.3
261.11212	1.2
265.14432	0.7
269.31738	0.2
275.09232	0.3
275.12695	0.4
277.14349	0.5
281.14020	0.3
283.15472	2.8
284.15958	0.3
291.15964	0.2
301.14340	0.6
307.15704	0.3
308.16168	0.6
317.17603	0.5
319.15506	0.5
333.20624	0.5
335.18640	4.5
336.19046	0.6
337.16714	0.2
349.20261	1.0
351.18060	1.0
351.21921	0.6
352.15176	0.4
353.19598	0.7
359.18399	0.4
377.19687	18.7
378.20023	2.4
380.18439	0.7
395.20740	100.0
396.21066	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	395.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46991	0.5
57.03452	2.5
59.01380	3.6
61.98818	1.5
64.87933	0.5
69.03469	0.5
83.01405	0.6
84.02093	0.6
85.02963	2.8
85.06588	1.3
87.04535	1.0
95.01400	1.5
95.05044	3.0
96.02190	1.4
97.02956	0.7
104.52745	0.5
109.06616	0.5
111.04523	4.2
111.08167	2.6
113.02463	2.4
113.06098	1.9
113.07684	0.5
124.05279	1.1
136.54861	0.5
137.06189	0.6
139.07693	5.6
151.07796	0.6
155.07173	2.0
163.11333	0.5
165.05583	1.7
165.09224	0.6
167.07144	1.3
177.01927	0.5
181.05055	1.4
183.06644	30.3
184.06969	1.4
189.09320	0.5
191.03520	1.2
192.07841	0.6
192.47154	0.5
195.06654	0.8
211.13318	0.7
219.06598	0.6
219.10237	0.7
224.06912	8.1
225.07234	0.8
229.29889	0.5
234.09019	1.3
265.14407	1.0
277.14429	0.8
280.88614	0.6
283.15552	3.0
307.15417	0.6
317.00876	0.5
319.15405	0.5
333.20850	0.7
335.18546	4.2
336.18918	0.8
342.16296	0.6
349.20184	1.1
370.03708	0.7
370.49240	0.7
377.19730	14.4
378.20087	1.7
395.20764	100.0
396.21127	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	395.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16433	0.2
57.03448	3.0
59.01381	2.3
61.98840	0.3
69.03450	0.4
71.01392	0.3
83.01395	0.3
85.02962	2.5
85.06599	2.2
87.04514	1.4
95.01403	0.9
95.05032	2.5
97.02954	0.9
97.06653	0.3
109.02963	0.8
109.06647	0.4
111.00919	0.2
111.04529	3.9
111.08177	2.1
113.02465	0.8
113.06110	0.8
119.05048	0.3
121.06610	0.3
122.03706	0.3
123.04581	1.2
123.08154	0.6
124.05341	0.4
125.02446	0.4
125.06079	0.4
125.09744	0.5
135.08167	0.3
137.02470	0.5
137.06129	0.7
137.09712	0.4
139.04027	0.4
139.07674	2.7
140.08015	0.3
141.05573	0.4
141.09254	0.3
148.55928	0.2
149.02486	0.4
149.06117	0.3
151.07657	0.5
151.11340	0.3
153.01999	0.6
153.09236	0.7
155.07146	1.5
156.48428	0.2
161.22278	0.3
163.04082	0.3
163.11287	0.4
165.05571	1.9
165.09210	0.5
165.70705	0.2
166.06274	0.3
167.07167	1.5
175.07584	0.3
177.01945	0.7
177.05478	0.3
179.07140	2.5
181.05098	2.6
181.08711	0.3
183.06638	16.0
184.06985	0.8
191.03528	1.8
191.07118	0.8
192.07890	0.9
193.08716	1.7
193.12387	0.5
195.06644	0.6
197.08157	1.4
207.06671	0.5
208.07407	2.0
209.08214	1.0
211.13379	1.2
217.12332	0.4
219.06653	1.6
219.10223	0.6
220.07379	0.4
221.08185	0.3
223.06114	0.2
224.06902	0.8
231.10156	0.3
234.08965	2.8
235.09760	4.8
236.10104	0.4
237.07744	0.3
243.10358	0.4
247.09807	0.5
249.11481	0.2
259.13235	0.3
261.11398	1.5
265.14441	0.6
275.12943	0.6
277.14352	0.4
279.16083	0.2
283.15515	2.2
301.14438	0.5
307.15466	0.5
308.16223	0.5
317.17715	0.5
319.15497	0.8
333.20648	0.3
335.18585	4.2
336.19046	0.5
339.18213	0.3
349.20160	1.0
351.18063	1.1
351.21936	0.6
353.19550	0.8
359.18701	0.6
367.21558	0.3
377.19696	20.7
378.19962	3.0
395.20755	100.0
396.21103	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	395.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01390	2.3
67.77267	0.4
69.78101	0.4
69.99981	0.8
70.00388	1.4
83.05022	0.5
85.02966	4.3
85.06600	1.9
85.92109	0.4
87.04520	1.5
95.01381	0.4
95.05034	3.2
96.02150	0.9
97.02978	0.5
111.04527	4.4
111.08173	2.8
113.02462	1.8
113.06088	1.9
121.06646	0.6
122.03762	0.4
124.05334	0.9
139.07675	4.7
141.09235	0.4
151.04079	0.5
155.07188	2.4
163.11342	0.7
165.05586	1.6
165.09210	0.6
167.07159	1.4
169.05103	0.4
177.01944	0.8
177.05536	0.5
179.07158	0.5
181.05099	2.4
183.06650	28.1
184.06961	1.5
191.03520	0.8
192.08006	0.7
195.06645	0.8
208.07411	0.6
211.13551	0.9
219.06496	0.5
220.07375	0.5
223.06172	0.6
234.08958	1.4
265.14395	1.2
275.12915	0.5
283.15485	4.3
307.15674	0.6
308.16214	0.5
319.15683	0.5
333.20642	0.6
335.18716	4.0
349.11218	0.4
349.20322	1.3
351.21704	0.6
352.18988	0.4
353.19495	0.7
359.18579	0.7
377.19736	19.8
378.19980	2.5
395.20773	100.0
396.21100	15.7
414.22141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2077
Annotation	Isoadenolin E, (rel)-
Peak:m/z	Relative Intensity
55.01875	0.9
57.03440	0.7
59.01379	2.3
61.98801	0.3
67.05551	0.4
68.99828	1.0
69.62692	0.6
69.63102	1.9
71.01388	0.7
71.05026	4.7
71.86503	0.3
73.02945	5.4
73.83680	0.3
80.02684	0.4
81.03469	0.9
83.01414	1.8
83.05025	0.9
83.37208	0.3
84.02175	0.5
85.02986	1.0
85.06593	4.5
86.84821	0.3
87.04518	6.7
91.73574	0.3
93.03487	0.4
95.01406	0.3
95.05038	3.6
97.02950	1.9
97.06573	0.8
99.04530	3.9
100.04836	0.3
107.05035	0.8
109.02972	6.6
110.03794	0.5
111.04531	11.9
112.04838	0.6
113.06101	2.3
115.41616	0.3
121.06641	0.5
122.03792	0.8
123.04549	3.3
123.08174	1.5
125.02452	2.2
125.06095	0.7
125.09698	0.5
127.04035	6.0
127.07787	0.4
133.06621	0.5
135.00922	0.5
135.08195	0.9
137.02428	1.5
137.06104	1.4
137.09682	0.4
139.04048	0.9
139.07658	0.8
141.05598	0.5
141.09250	1.1
149.02518	0.4
149.09758	0.5
150.03221	0.4
151.04034	4.4
151.07672	2.7
151.11351	0.4
152.04803	3.5
153.01955	1.5
153.09256	2.0
154.02684	0.4
154.99998	0.3
155.10794	0.8
161.06119	1.0
162.06755	0.5
163.04073	0.4
163.07643	0.5
164.04814	0.3
165.05559	0.8
169.08734	0.8
177.01880	0.5
177.05627	0.4
177.09247	3.5
178.02753	2.7
178.06371	0.8
179.07149	17.3
180.07843	2.9
181.05118	0.8
181.08708	3.0
182.02190	2.0
183.06584	2.0
191.03517	1.0
193.08708	8.1
194.09052	0.5
195.06606	2.9
195.10237	2.4
196.10565	0.4
197.08200	9.2
197.11801	0.5
198.08517	0.3
203.07130	2.0
205.05043	2.0
206.05899	1.8
207.06624	0.8
215.12679	0.4
221.08197	43.2
222.08560	3.5
223.06053	1.7
223.09743	0.4
224.06888	8.8
225.07416	0.6
227.12842	0.6
239.09248	8.1
240.09557	0.6
247.13425	0.9
251.09213	0.6
283.15533	3.6
321.17081	1.4
339.18085	3.5
340.18671	0.5
351.21930	0.4
359.18643	1.7
377.19730	4.1
378.19669	0.4
395.20749	100.0
396.21066	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	395.2076
Annotation	Rubescensin O
Peak:m/z	Relative Intensity
52.77467	0.8
54.72306	0.9
55.01874	3.8
57.03452	2.6
59.01387	8.0
59.50229	0.9
60.56251	0.9
61.23311	1.1
61.98826	1.2
65.03968	1.6
68.54456	0.8
68.99831	0.9
69.03466	1.2
71.01382	2.6
71.05022	7.5
71.29121	1.7
71.29454	1.4
73.02536	2.1
73.02950	44.5
79.05537	1.0
81.03460	3.3
83.01395	6.5
83.05031	12.8
84.02173	9.5
84.20068	1.0
85.02970	4.9
85.06602	20.5
86.66824	0.8
87.04525	19.3
93.03426	1.0
95.01418	1.3
95.05035	28.2
96.05342	1.2
97.02983	4.4
97.06590	5.0
99.04528	13.6
101.06084	2.2
107.05079	1.3
109.02971	8.3
109.06589	1.1
110.03739	3.2
111.00911	1.1
111.04536	29.0
111.08195	1.3
113.06098	33.7
122.03764	1.0
123.04540	8.0
123.08175	3.3
125.02419	1.7
125.09732	3.9
127.04036	20.5
127.07697	1.0
130.54500	1.1
133.06705	1.0
135.08180	3.1
137.02466	3.4
137.06081	3.7
137.09695	1.3
139.04041	5.0
139.07680	2.4
141.05603	3.3
141.09235	2.8
151.04015	7.7
151.07680	4.8
152.04799	3.8
152.08446	2.0
153.09248	10.1
154.14021	0.9
155.07213	2.0
155.10854	4.3
165.05563	1.9
167.07146	2.8
177.09258	7.7
178.06339	1.1
179.07161	21.7
180.07904	6.4
181.05086	5.0
181.08714	3.0
183.06647	3.4
191.03461	2.1
193.08722	13.2
195.06656	4.1
195.10315	5.4
197.08217	38.3
198.08560	1.8
203.07054	1.0
205.05031	1.5
207.10231	2.4
215.12897	2.1
221.08189	26.0
221.15456	3.4
222.08560	1.8
223.06122	1.9
224.06967	1.1
227.12888	5.7
239.09261	24.8
239.16531	2.1
240.09592	2.6
247.13313	2.1
265.14359	4.8
269.04535	2.6
281.04547	2.4
283.15509	100.0
284.15854	9.2
302.20197	0.9
307.15546	4.8
309.13440	3.5
321.17093	1.8
324.10071	1.6
325.10815	1.3
333.20590	1.1
335.17743	1.4
337.10635	1.4
339.18161	3.9
351.08701	1.5
352.08942	1.2
359.18478	1.7
377.14169	2.4
377.19656	16.8
378.20193	2.1
395.15042	26.0
395.20752	99.0
396.15344	3.0
396.21069	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2076
Annotation	Rubescensin O
Peak:m/z	Relative Intensity
51.86898	0.9
55.01869	3.2
57.03444	2.2
59.01383	9.3
69.59481	5.9
71.01382	1.3
71.05019	5.6
73.02955	16.9
81.03469	3.1
83.01391	3.3
83.05026	10.2
84.02162	7.3
85.02956	3.8
85.06593	13.1
87.04517	9.7
95.01385	1.0
95.05037	21.8
97.02990	1.9
97.06601	4.7
99.04537	10.3
101.06068	1.2
107.05072	1.7
108.02197	1.0
109.02968	10.7
109.06615	0.8
110.03739	3.1
111.04536	22.2
111.08167	1.7
113.06103	16.0
122.03757	1.2
123.04523	7.0
123.08170	2.6
124.05340	0.8
125.02488	2.7
125.06089	1.4
125.09727	2.6
127.04034	17.1
128.54753	0.9
135.04546	2.5
135.08153	2.5
137.02475	2.5
137.06094	3.8
139.04033	2.6
139.07669	1.9
141.05614	2.5
141.09241	0.9
151.04030	8.9
151.05119	1.2
151.07643	7.0
152.04831	5.4
153.09235	11.5
155.07162	2.7
155.10768	2.4
161.06097	0.8
163.04005	0.8
165.05533	1.6
177.09219	7.0
177.53209	0.8
178.06352	1.8
179.03528	1.8
179.07146	22.2
180.07944	7.1
181.05087	3.9
181.08704	2.8
181.12318	0.8
182.02304	1.0
182.09048	0.9
183.06619	4.5
191.03543	4.3
193.08708	15.1
193.10316	1.1
195.06619	2.8
195.10284	7.1
197.02058	0.8
197.08203	42.6
198.08549	2.8
203.07153	1.1
205.05104	2.2
206.05840	3.0
207.10393	1.5
215.12843	1.6
221.08194	55.1
222.08566	5.1
223.03947	1.8
224.06866	5.7
225.02063	0.8
227.12961	2.6
239.09248	26.1
240.09654	2.3
255.02966	4.4
265.14450	3.3
267.02966	37.5
268.03281	3.1
278.07874	0.9
283.15509	67.0
284.15790	5.6
307.15466	2.5
309.13574	1.5
321.17126	2.5
326.07907	1.9
335.17844	2.3
339.18192	3.8
359.18619	2.6
377.19714	17.2
378.19989	2.5
380.53140	0.8
394.67178	1.7
395.16525	5.3
395.20801	100.0
395.66956	2.5
396.16348	1.0
396.21176	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	395.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
58.09193	0.3
59.01356	0.9
70.29174	0.4
70.29597	0.8
79.01902	0.6
85.02963	0.3
95.01417	0.5
96.02154	0.3
101.03956	0.5
108.02164	0.4
109.02997	0.3
111.00883	0.6
119.05064	1.6
123.00869	1.0
124.01687	11.8
124.09617	0.2
125.02414	1.1
145.02982	2.4
148.08382	0.2
151.00414	0.7
152.01190	5.4
153.02010	2.1
156.00694	1.7
157.06560	0.5
157.78435	0.3
158.89917	0.3
165.12874	0.7
177.02019	0.3
179.03447	0.3
180.00662	8.3
181.01128	0.4
185.06068	0.9
187.07545	0.3
189.05630	0.6
201.05583	1.5
212.04851	0.7
213.05592	4.7
214.06102	0.3
215.03522	2.4
217.04971	0.3
229.05057	2.8
230.02206	0.3
230.05656	0.5
231.06602	1.0
240.04123	0.4
241.05040	0.6
242.05443	0.3
243.03160	0.3
243.06015	0.4
249.14975	0.4
255.06642	0.7
256.06879	1.4
257.04550	7.0
258.05319	100.0
259.05649	7.4
265.08676	0.9
268.07104	0.7
269.07782	0.3
271.02521	0.8
283.02322	1.6
293.08176	0.4
308.10617	0.5
324.13214	0.7
326.07999	1.3
337.57275	0.3
338.14749	0.4
344.50037	0.3
377.17563	1.9
395.18671	26.4
396.19101	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	395.1864
Annotation	Fukanefurochromone B
Peak:m/z	Relative Intensity
54.64866	0.2
55.01874	1.7
56.66465	0.2
57.03442	1.6
57.41227	0.2
59.01381	0.4
61.98822	0.4
62.33241	0.3
70.30593	0.9
71.01385	0.9
73.02953	0.3
79.01899	12.7
80.02221	0.5
81.03450	0.4
83.05015	0.8
90.69324	0.2
95.01377	0.3
97.02967	0.8
101.03988	0.3
108.67739	0.3
115.05557	1.6
119.05045	4.5
121.02975	0.9
123.08163	0.8
129.07146	0.3
133.06615	0.8
145.02971	9.3
145.06650	0.6
146.03296	0.4
150.03218	0.8
151.03976	0.3
157.06604	20.1
158.06909	1.5
169.06660	0.3
173.06047	1.0
175.07632	2.1
177.01923	0.9
178.02699	0.6
181.06654	0.4
189.12871	0.3
191.03583	0.2
193.12373	2.2
199.07645	5.3
200.08075	0.4
201.05620	0.5
201.09254	0.5
211.07628	0.8
217.12332	1.1
227.07155	0.5
228.07735	0.4
229.08531	0.4
241.05078	0.9
242.05685	0.3
243.06671	0.4
249.14948	1.9
255.06645	4.4
256.07269	1.6
259.25821	0.2
271.02490	0.7
273.14932	1.8
281.04523	0.3
283.02548	1.9
317.13943	3.8
326.08044	1.4
333.18579	0.3
351.19626	2.2
352.19769	0.3
356.08948	0.3
377.17603	0.8
382.57938	0.3
395.18658	100.0
396.19016	15.9
403.04486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01385	2.3
61.98840	1.2
65.00335	0.5
69.59872	3.0
69.60275	0.7
70.62263	0.4
73.02945	0.9
83.05023	0.5
85.02955	1.3
85.06604	1.2
87.00874	0.6
87.04519	0.9
87.59392	0.4
95.05027	0.8
107.01421	0.7
109.02984	0.5
111.00911	1.8
111.04540	0.9
113.06110	0.8
128.88048	0.5
137.06100	0.5
151.00375	2.2
152.01176	0.5
155.07166	1.0
179.07048	0.6
180.07826	0.5
183.06645	1.0
195.06642	0.6
196.06993	0.5
197.08121	0.7
221.08250	0.9
225.07794	0.5
239.09113	0.5
242.02225	0.5
243.03059	0.7
253.05084	0.5
255.03026	0.5
256.22034	0.4
267.02927	0.7
271.02496	2.5
272.03067	0.7
281.04767	0.5
282.05386	0.5
283.02493	5.4
283.15503	2.2
285.03955	2.3
290.63800	0.4
296.03116	0.5
297.04102	6.4
297.07220	0.8
298.04590	0.8
299.05411	0.5
307.06122	0.7
308.03421	0.5
309.04111	0.4
309.07715	1.0
309.56253	0.5
311.05557	1.4
314.04721	0.6
318.98627	0.4
323.09320	1.1
325.07159	1.7
326.07996	1.8
328.02280	1.5
335.17923	1.5
337.07178	3.0
337.10901	2.2
339.08823	2.9
340.09424	1.8
351.08740	12.1
352.08990	2.3
363.12482	0.8
372.08624	1.4
377.14175	0.9
377.19699	1.9
379.11868	2.1
380.12531	1.3
395.15042	100.0
395.20560	6.0
396.15411	16.9
396.20822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.61644	0.3
57.03447	0.4
59.01363	0.8
67.01894	1.9
70.92841	0.5
70.93184	0.6
79.01456	0.5
79.01897	5.5
79.05525	0.4
80.77780	0.3
83.63908	0.3
91.01902	2.9
91.05520	0.5
101.03959	1.4
103.05544	1.0
105.03425	0.4
109.02947	0.5
110.92056	0.4
119.05040	5.3
120.05347	0.3
121.02970	1.9
121.06563	0.5
123.04541	10.8
124.04853	0.6
133.06583	0.5
135.04538	1.5
143.05058	0.4
145.02974	22.2
145.06644	0.7
146.03262	1.3
147.04539	8.8
148.04857	0.6
149.02464	1.7
151.00386	0.3
157.06595	3.6
163.04030	3.6
165.01952	1.0
165.34953	0.3
169.06587	2.5
170.06969	0.4
177.01952	5.3
178.02444	0.3
183.08115	0.7
191.03517	20.5
192.03839	1.4
197.09647	0.4
199.07605	0.5
201.05589	0.9
201.09213	0.4
207.08151	0.8
211.07722	0.4
217.12326	0.5
225.05652	0.6
225.09196	4.4
226.09657	0.4
227.07138	1.8
229.05072	0.6
232.03633	0.3
240.73749	0.3
241.05077	0.5
241.08655	2.3
243.03093	0.4
243.06541	1.1
255.06630	9.9
256.06946	0.9
258.05334	0.5
267.06604	1.1
268.07324	0.6
269.08176	49.2
270.08493	4.3
271.02457	0.9
280.10968	0.5
281.04633	0.5
283.02432	1.8
308.10434	0.7
317.13910	3.8
320.66687	0.3
325.10599	0.4
326.08072	1.5
333.19016	0.4
377.13480	0.4
377.17581	1.8
395.18683	100.0
396.19040	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	395.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01357	0.5
61.98510	0.3
61.98833	6.3
70.33497	0.5
77.37273	0.1
80.60190	0.2
87.00887	0.3
98.19872	0.3
111.00884	1.2
111.04571	0.2
116.16950	0.2
133.02914	0.2
136.01518	0.2
137.02449	0.3
137.09792	0.2
142.39180	0.2
163.00320	0.2
183.04582	0.2
186.03262	0.2
190.19679	0.2
198.03192	0.2
214.02718	0.3
221.08195	0.2
222.08543	0.2
224.04672	0.2
227.03502	0.4
229.51370	0.2
230.02301	0.5
235.57684	0.2
240.04123	0.3
242.02208	1.8
243.02893	0.5
251.03537	0.3
255.02951	1.7
256.03741	1.3
258.01590	1.5
267.03006	2.0
268.03656	1.1
269.04459	1.0
270.01724	0.3
271.02496	1.5
281.04565	0.7
282.01691	1.9
283.02493	6.1
283.05878	0.4
284.03107	1.3
295.02499	5.7
295.05643	0.2
295.09647	0.3
296.02969	0.9
297.04016	1.0
297.07352	0.3
298.08481	0.5
307.02499	1.3
307.05777	0.4
308.03253	0.6
309.04114	2.6
309.07550	0.5
310.04480	0.3
311.05612	0.5
311.09210	2.0
312.09985	1.1
323.05646	0.2
324.06369	0.2
324.10144	0.6
325.07263	0.3
326.07944	1.7
327.08572	0.6
333.16959	0.3
335.17776	0.4
337.07037	0.4
337.10693	0.3
339.08734	12.2
340.09341	3.9
341.09836	0.3
349.07230	0.3
351.08746	19.1
352.09155	3.3
361.10788	0.4
362.11557	0.3
363.12329	0.9
365.10223	0.2
379.11856	0.9
380.12418	0.3
393.13379	0.3
395.14999	100.0
396.15356	15.3
396.20761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50731	0.2
56.30362	0.2
62.78828	0.2
69.57761	2.3
87.95947	0.2
98.19926	0.5
115.06421	0.2
120.00711	0.2
130.26172	0.2
157.10745	0.2
158.32898	0.2
167.59805	0.3
175.03958	0.3
183.04561	0.5
187.64240	0.3
191.27208	0.2
197.02325	0.2
199.03943	0.5
201.01910	0.3
211.03983	0.5
215.03450	0.6
227.03534	1.0
229.01399	0.7
230.02242	1.4
231.42163	0.2
239.03470	4.6
240.03838	0.4
241.01512	1.4
242.01965	0.3
243.02974	12.0
243.13240	0.3
244.03329	1.0
255.02884	1.9
258.01764	1.9
265.08609	0.2
271.02460	47.6
272.02792	4.4
282.01566	0.3
283.02469	98.3
284.02802	9.3
285.04080	0.8
293.04510	0.9
294.05310	1.5
297.04095	2.3
297.07291	0.3
307.06134	6.3
308.06760	1.4
309.07672	13.4
310.04929	0.5
310.07974	1.8
311.05518	2.4
312.05914	0.4
325.07233	2.4
326.07947	100.0
327.08292	11.4
358.06961	0.4
395.15073	3.4
395.23010	2.3
396.15372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79150	0.3
55.92920	0.3
59.01392	1.2
70.93779	1.2
71.76976	0.4
73.25656	0.3
79.01929	0.7
85.03000	0.4
86.60026	0.3
102.68412	0.3
115.06726	0.4
145.02953	0.6
157.06647	1.1
177.01979	0.7
199.07678	0.4
227.03581	0.4
230.02229	0.9
239.03561	0.5
242.02292	0.4
243.00659	0.6
243.02998	7.4
244.03531	1.3
255.06625	1.7
258.01651	2.2
271.02463	62.9
272.02890	7.9
283.02484	27.0
283.04932	0.5
284.02902	2.8
285.04001	1.2
293.04553	1.9
294.05304	0.9
295.06375	0.4
297.04059	5.1
298.04227	0.5
307.06113	13.5
308.06653	2.4
309.07678	27.0
310.07959	2.6
311.05627	4.5
312.06134	0.5
325.07199	1.1
326.07925	4.5
327.08243	0.7
335.17749	0.4
389.58975	0.4
395.14914	100.0
396.15259	16.9
405.46494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1501
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
55.05833	0.2
57.03432	0.4
59.01374	1.4
59.53562	0.2
61.98811	0.8
62.95099	0.2
65.00320	0.5
69.51463	1.9
70.21199	0.2
71.05035	0.5
73.02951	0.5
85.02945	0.4
85.06576	0.4
87.00858	0.3
87.04488	0.3
88.98807	0.3
93.03445	0.6
108.02197	1.4
109.02941	0.5
111.00871	0.4
111.04575	1.3
113.06062	0.4
123.00924	1.2
123.04518	0.3
125.02431	0.4
127.04029	0.6
143.05069	0.3
145.02965	5.2
146.03256	0.3
149.99603	3.4
151.00301	0.5
151.04004	0.3
151.54832	0.2
152.04813	0.4
159.04478	0.4
167.06787	0.3
169.01379	0.5
171.04529	0.6
173.06015	0.3
178.02699	0.2
179.07114	0.9
183.04514	0.5
183.06615	0.3
187.03900	0.3
188.04541	0.3
190.86905	0.2
193.08794	0.4
195.06686	0.5
195.10022	0.3
197.08186	0.8
199.03973	1.7
200.04633	0.4
203.03558	0.3
214.02591	0.3
214.07939	0.2
215.03534	3.2
216.04199	1.0
221.08173	2.7
222.08629	0.5
223.08945	0.3
224.06860	0.8
225.01958	0.7
225.07210	0.5
226.02673	0.3
226.07480	0.7
227.03485	4.1
228.04002	0.4
239.09225	0.7
243.02982	6.8
244.03604	1.1
253.01457	2.0
254.01984	0.4
255.02902	0.5
258.01727	0.4
261.10712	0.3
267.06558	0.5
271.02454	72.5
272.03198	52.1
273.03577	3.5
283.02475	23.8
283.15302	0.4
284.02808	2.4
297.04034	2.6
304.02280	1.7
305.20889	0.3
307.06049	0.5
309.07715	1.0
311.05573	1.6
325.07297	0.5
325.10944	0.4
326.07822	2.2
327.08569	0.3
337.65012	0.3
358.96915	0.3
372.46927	0.3
377.19220	0.5
392.43857	0.3
395.15015	100.0
395.20151	6.2
395.67160	0.6
396.15359	15.9
396.20789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1349
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
59.01364	0.9
61.80515	0.2
61.98814	0.3
69.64069	1.2
69.64499	0.8
71.01382	0.6
77.00788	0.2
77.03973	0.7
79.01897	0.3
83.99564	0.2
98.19956	0.6
101.02468	0.3
105.03478	0.8
107.01408	0.4
119.05054	0.2
121.03004	1.1
121.03839	0.2
123.08176	0.8
125.02432	0.4
125.06076	0.7
137.42410	0.2
148.99155	0.3
149.02432	3.0
151.07660	1.5
161.02449	0.6
163.04047	1.7
167.07132	0.4
173.06126	0.5
175.03989	0.6
179.03436	0.3
182.99185	0.2
189.05527	0.4
190.02751	0.7
191.03526	1.0
195.06633	8.5
196.07019	0.6
197.07158	0.4
202.06447	0.4
203.10838	0.4
207.10249	0.6
216.00638	0.5
217.05055	18.6
218.05830	25.6
218.28703	0.3
219.06361	2.3
228.04312	0.6
230.05742	0.4
231.10213	0.4
232.07361	1.4
233.08093	1.6
245.08115	0.4
246.08864	0.3
247.09744	58.3
248.10101	5.2
257.08206	2.9
273.07648	0.7
275.09232	100.0
276.09586	10.2
278.08136	0.5
287.09338	3.0
290.75150	0.3
305.10281	3.2
306.10709	0.3
357.11874	1.1
385.40573	0.3
395.13483	66.0
396.13837	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	395.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41114	0.3
59.01376	2.1
61.98831	12.8
65.00343	0.4
69.50410	0.5
69.50821	2.4
71.01378	1.2
73.02955	0.4
77.03970	0.6
77.60762	0.3
79.01878	0.4
85.02935	0.4
101.02486	0.7
105.03433	0.6
107.21194	0.3
117.03378	0.4
121.02976	0.4
123.08195	0.5
125.06091	1.1
149.02444	0.4
161.09789	0.3
163.04091	0.3
175.03993	0.4
189.05554	0.7
191.07108	0.4
203.07001	0.3
203.10860	1.5
204.04257	0.8
216.04218	0.4
217.05058	22.7
218.05835	26.1
219.06221	2.7
219.10382	0.4
227.03511	0.3
229.05023	1.1
230.05826	1.1
231.06558	1.2
232.07420	1.3
233.08131	4.3
234.08441	0.3
243.10283	0.3
245.04596	0.6
245.08203	5.5
246.05325	0.5
246.08797	1.8
247.09746	44.5
248.10094	3.6
257.04514	0.5
257.08185	2.1
258.05188	0.5
259.09750	4.8
272.07010	0.6
273.07742	1.5
275.09238	100.0
276.06641	0.6
276.09592	9.5
278.07938	2.7
285.07654	0.4
287.09247	10.7
288.09537	1.0
289.10803	0.6
303.08823	0.7
305.10309	24.9
306.10449	2.3
317.10391	2.1
319.11789	0.4
347.11499	0.4
377.12454	0.5
395.13461	72.3
396.13815	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10920	0.2
55.01842	0.5
57.03391	3.6
57.03700	0.4
59.01330	0.4
71.04964	1.3
71.05316	0.4
73.02915	0.5
79.01842	0.7
83.01308	0.3
85.06552	0.3
87.00854	0.3
87.04471	0.6
95.04989	0.4
97.02817	0.4
97.06562	0.4
98.19852	0.7
99.08189	1.4
101.06053	0.4
107.05045	0.3
109.06570	0.5
111.04459	1.0
115.64773	0.3
121.06573	0.3
123.04501	0.3
123.08131	0.8
125.02454	0.4
125.06118	3.8
125.09712	0.4
126.06237	0.3
135.08174	1.2
137.06085	0.3
137.09740	8.4
138.03291	1.2
138.09964	0.4
139.03941	0.4
141.09178	0.4
148.32442	0.2
149.09683	0.6
153.01926	0.5
155.07106	0.4
155.09772	0.3
155.10799	3.8
163.07559	0.6
163.11285	2.8
164.08363	0.3
165.05470	0.3
165.12787	0.3
166.02747	1.6
177.09061	0.3
179.06964	0.4
179.10732	0.9
180.00633	0.5
181.01369	0.7
181.05051	0.6
181.08693	0.6
181.12294	1.0
182.02222	1.9
183.06609	0.4
189.12758	0.8
191.03603	0.3
191.10754	2.3
192.71220	0.2
193.08725	0.3
195.05031	0.3
195.06653	3.2
203.64761	0.3
205.12230	0.4
207.06572	0.4
211.13353	0.8
215.10872	0.3
217.12479	0.3
217.16017	0.5
219.14023	0.3
221.08217	2.3
222.08955	2.9
223.09586	0.9
224.06895	17.7
225.07254	1.3
231.13878	0.4
233.08235	0.5
233.11813	3.7
234.12299	0.3
235.09785	0.5
235.13411	0.3
240.06285	0.3
245.15395	0.6
247.09818	0.2
248.07048	0.3
249.11356	1.3
250.11678	0.4
259.09845	0.3
260.92270	0.3
263.09225	0.3
263.12766	0.9
267.15872	0.7
271.16989	2.1
272.17017	0.3
273.18625	2.9
274.12128	0.3
274.18796	0.5
275.12891	2.7
276.13080	0.4
289.14459	1.3
290.14621	0.3
290.65582	0.2
291.16153	0.3
293.17267	0.2
299.16541	0.9
305.14206	0.3
305.17603	0.8
315.15848	0.3
317.17581	39.1
318.17947	5.0
331.22845	1.1
333.16992	0.7
349.23877	1.8
350.23911	0.3
361.16705	0.4
375.21799	23.5
376.22220	3.5
393.22885	100.0
394.23245	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79803	0.3
53.81896	0.3
57.03441	0.6
58.00597	0.8
59.01380	100.0
60.01717	1.2
66.62758	0.3
69.43896	0.7
69.44297	2.9
71.01389	6.6
73.02996	0.3
83.01373	0.3
85.02963	1.1
87.00871	0.4
87.04553	0.7
88.98803	1.6
89.02455	10.8
90.99271	0.3
95.01391	0.4
95.05103	0.3
97.06583	0.4
98.20688	0.5
101.02464	3.5
111.04539	0.5
113.02473	2.9
113.06077	0.3
119.03512	4.0
139.07629	0.3
143.03549	0.6
149.04622	0.5
161.04637	0.6
166.06375	0.3
179.05669	1.9
183.06671	0.5
195.06642	0.7
215.54576	0.3
281.14011	0.6
288.77643	0.3
322.89282	0.4
323.15121	1.1
332.98026	0.3
333.17798	0.3
393.19122	7.8
394.19760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96002	0.4
55.01871	0.4
57.03448	6.5
59.01373	1.4
68.99833	0.6
70.73599	1.0
70.73962	0.6
71.05003	1.0
79.01911	0.5
81.03465	0.5
83.05025	2.1
85.02970	3.6
85.06598	1.3
87.00900	0.5
87.04529	0.7
95.05047	1.2
97.06624	0.6
98.09675	0.3
99.08172	2.3
101.06122	0.4
107.05038	0.5
109.02952	0.8
109.06600	0.9
111.04526	4.8
113.06092	0.9
121.06593	0.9
123.08199	1.4
125.02509	0.4
125.06112	4.3
135.08162	1.2
137.09746	11.9
137.10800	0.6
138.03279	0.8
139.04015	1.0
141.09200	0.6
141.30244	0.4
149.09772	0.5
151.04010	0.4
151.07648	1.2
151.11247	0.5
153.01978	0.5
153.09236	0.4
155.07158	4.0
155.10805	3.5
163.04031	1.6
163.07668	0.5
163.11302	3.8
164.08469	0.8
165.05589	0.6
166.02754	1.7
167.03328	0.3
175.11215	0.4
179.03497	0.6
179.07137	0.5
179.10826	0.9
180.04245	0.5
181.05132	1.2
181.08670	0.6
181.12392	1.1
183.06618	0.4
191.07080	0.5
191.10817	2.0
193.08725	0.9
193.12306	0.7
194.05861	0.6
195.06613	2.3
205.12425	0.4
207.06731	0.9
209.08151	0.8
211.13358	0.8
215.07028	0.6
217.12291	0.5
217.16061	0.9
220.07361	0.6
221.08171	3.9
222.08926	2.6
223.06114	1.0
223.09749	0.9
224.06958	1.4
233.08138	5.2
233.11795	2.9
233.15559	0.8
234.08557	0.5
235.09785	1.7
236.10274	0.6
242.02252	1.5
247.09853	0.7
249.11314	1.1
251.09201	0.5
255.02853	0.5
257.18457	0.4
261.14948	1.1
261.18570	0.7
263.12866	1.7
267.16165	0.9
271.16989	2.0
273.18588	2.0
275.12930	1.6
276.10059	0.4
277.10938	2.8
277.13663	0.6
279.19394	0.5
281.14044	1.1
289.14450	1.2
289.17862	0.5
299.16556	0.8
303.19733	0.5
305.14172	0.8
305.17642	4.1
306.17953	0.6
309.17090	0.8
311.09247	4.8
312.09741	0.5
313.18158	0.6
317.17587	32.4
318.17953	4.0
331.19223	6.4
331.22797	0.9
332.19583	0.7
333.17044	11.7
334.17465	1.6
349.20129	0.5
349.24142	1.9
361.16580	1.2
375.18011	2.7
375.21930	17.8
376.18433	1.3
376.22647	2.6
393.22913	100.0
394.23267	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	393.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03458	3.4
69.59273	4.1
71.05027	2.0
73.02920	0.8
73.99953	0.5
79.01898	1.1
81.03471	0.7
85.02953	1.6
85.06593	6.7
87.00877	0.9
87.04535	3.7
95.05016	0.8
97.02954	1.0
97.90267	0.4
99.08186	0.9
103.51311	0.4
111.04535	8.0
113.06157	0.9
114.20765	0.5
120.58080	0.5
121.06601	0.6
123.08168	8.1
124.01705	1.0
125.02439	3.2
125.06110	1.2
136.05312	0.9
137.09740	1.2
139.07632	1.0
141.09253	3.9
149.06038	0.5
151.00377	1.1
151.07695	4.1
153.01965	2.4
154.02708	1.9
155.07141	1.6
163.03998	0.7
163.11327	0.6
167.03571	0.6
167.07149	1.4
175.76007	0.5
177.05588	2.6
178.06322	1.1
179.10777	0.9
180.00685	1.7
180.04225	0.7
181.01440	1.9
181.05081	2.0
181.08760	1.5
182.02229	8.5
183.06581	0.6
191.07260	1.0
193.08832	0.6
195.06639	28.9
196.07025	1.5
197.08234	0.5
205.12329	0.8
206.05922	0.7
206.09494	1.7
207.06494	0.8
207.10242	3.6
209.04572	0.8
219.13956	0.7
221.08127	0.8
223.06160	1.3
224.06909	100.0
225.07286	6.4
233.08202	1.6
237.14810	0.7
242.02338	0.7
243.13924	0.6
261.14917	1.3
263.12747	0.9
275.13245	0.5
275.16461	2.7
293.17639	1.6
305.14069	0.7
305.17575	1.9
311.09210	1.7
317.17603	2.5
331.19116	5.9
332.19604	0.8
333.16815	1.0
361.16580	10.5
362.17023	1.5
371.99902	0.5
375.18048	2.2
375.21817	1.5
376.18692	2.6
393.19138	18.1
393.23010	6.9
394.19223	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	393.1921
Annotation	15-Desacetyltetraneurin C isobutyrate
Peak:m/z	Relative Intensity
55.01866	0.5
57.03447	4.1
59.01381	12.7
61.80641	0.3
61.98816	1.1
68.99830	0.5
69.03460	0.7
69.66401	0.3
69.69875	0.3
70.48104	0.5
70.48491	0.8
71.01385	1.4
71.05014	0.4
73.02941	0.6
75.25401	0.3
81.03436	0.3
83.01408	0.6
83.05025	1.1
85.02956	7.4
85.06606	3.9
87.00899	1.9
87.04523	4.6
89.02483	0.3
91.23952	0.3
93.03477	0.7
95.01404	3.7
95.05035	4.2
96.02171	1.4
96.95998	0.3
97.02983	0.7
97.06603	3.3
99.04543	0.6
99.08130	0.4
101.02451	1.4
101.06057	0.3
107.05051	0.7
108.02163	0.3
109.02962	0.7
109.06618	0.4
111.00904	0.4
111.04542	6.8
111.08174	5.9
113.02465	2.6
113.06097	3.1
121.06602	0.8
122.03741	0.5
123.04551	1.5
123.08150	1.1
124.05316	2.2
125.02465	1.6
125.06094	1.1
135.04579	0.4
136.05434	0.3
137.02438	0.3
137.06071	0.8
137.09753	0.6
139.07671	11.6
140.07977	0.5
141.05580	1.3
141.09244	0.7
147.08162	0.5
149.06099	0.3
149.09714	0.8
151.00395	0.4
151.04033	0.7
151.07539	0.3
155.07158	5.9
156.07512	0.4
163.11388	0.3
165.05518	0.7
165.09245	0.9
165.12895	0.5
166.06244	0.4
167.03354	0.5
167.10791	0.5
167.14423	0.4
169.05104	0.6
174.45374	0.3
177.05594	0.7
177.09251	0.6
179.03551	0.5
179.07159	0.7
179.10713	0.4
181.05074	0.8
181.08690	1.0
183.06638	15.6
184.06950	0.9
191.05466	0.3
191.07124	0.3
191.10794	1.1
193.08810	1.5
193.12381	0.4
194.05913	0.8
195.06627	8.4
196.07039	0.4
197.04474	0.3
197.11790	0.5
203.10837	0.3
207.06667	1.8
207.10243	1.9
207.13882	0.9
209.11852	0.7
211.13394	0.7
213.07646	0.5
213.14038	0.3
214.04811	0.6
219.13776	0.6
221.08154	0.6
225.11279	0.7
229.14418	1.5
230.14830	1.0
231.15134	1.5
235.09694	0.3
235.13472	0.3
237.07674	2.0
237.14970	0.4
245.11769	0.5
253.14352	0.4
263.12897	0.5
264.13388	0.6
275.01965	0.6
277.14447	0.5
281.13940	17.0
282.14191	1.6
293.17612	1.3
305.14005	0.9
305.17404	0.3
306.14670	1.7
307.15695	0.4
307.18961	1.7
315.16031	0.5
317.13989	0.4
323.15005	0.7
324.15689	0.7
329.17398	0.4
331.19159	1.0
333.17059	4.9
334.17764	3.7
335.15005	2.1
347.18686	4.1
349.16495	1.5
349.20340	2.8
350.17230	1.0
351.18094	6.8
352.18588	0.9
361.16516	1.3
375.18158	2.0
393.19193	100.0
394.19525	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	393.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61840	1.2
54.68976	1.3
55.01868	4.0
55.02374	1.4
57.03450	24.1
59.01371	3.7
67.05557	1.6
69.03464	2.1
69.67718	10.8
71.05022	7.0
73.02946	4.1
76.54560	1.3
79.01891	5.2
81.03455	4.0
81.69849	1.2
83.05025	1.7
85.02980	8.6
85.06597	33.6
86.06909	2.2
87.00867	2.6
87.04530	25.8
93.03472	4.3
95.05030	2.9
97.02961	3.2
99.08154	4.0
101.06083	1.6
107.05038	3.3
111.03796	2.6
111.04533	38.9
113.06078	3.9
121.02928	1.7
121.06628	4.1
123.04536	3.3
123.08184	65.1
124.01674	2.1
124.08502	2.0
125.02468	10.7
125.06078	2.9
125.09813	1.3
127.07636	2.3
128.60129	1.4
133.06487	1.4
135.04442	1.4
135.08139	3.5
136.05334	1.8
137.06154	1.5
137.09731	1.9
139.07669	8.2
141.09236	20.0
147.08168	2.6
149.06142	1.9
149.09628	1.7
151.00385	6.0
151.04027	1.5
151.07678	24.7
152.04758	2.4
153.09195	2.7
155.07149	9.9
161.09738	1.5
164.08615	1.5
165.09251	2.1
166.06306	1.3
167.03487	1.6
167.07152	16.4
177.05565	11.0
178.06282	1.4
179.10791	5.8
180.04251	3.4
180.07919	2.7
181.05069	2.5
181.08723	16.6
183.06650	4.4
189.09247	1.9
191.07153	6.7
193.08716	3.6
195.06648	100.0
196.06989	8.5
200.25684	1.5
203.10748	1.3
205.08627	2.0
205.12268	3.9
206.09492	17.3
207.06639	2.0
207.10260	16.3
209.08250	11.9
211.06075	1.6
217.12369	1.6
219.13855	1.7
220.62617	1.4
221.08215	1.5
243.13884	5.9
245.11688	1.9
261.14981	11.5
263.13031	6.3
275.16537	18.2
276.16861	1.6
285.18591	1.7
289.18106	3.8
293.17801	8.8
303.19781	2.1
305.14313	2.7
305.17548	15.3
306.17627	1.5
313.18109	5.1
331.19141	46.3
332.19440	6.1
333.17038	3.1
347.18518	1.7
349.20029	1.7
375.18298	10.4
376.18787	11.4
388.71896	1.5
393.19034	11.2
394.19534	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	393.1922
Annotation	1beta-Methoxydiversifolin 3-O-methyl ether
Peak:m/z	Relative Intensity
51.60922	0.9
55.01869	2.2
57.03442	4.2
59.01386	12.5
61.98822	4.3
64.70105	0.9
67.01882	1.3
69.03444	3.7
70.08572	3.2
70.08980	2.2
71.01392	5.8
71.05018	4.9
73.02959	7.2
79.01855	1.0
81.03458	3.9
83.01395	15.9
83.05035	6.1
84.02171	1.7
85.02961	96.4
85.06603	17.8
86.03305	2.6
87.00888	53.1
87.04529	13.3
93.03474	10.1
95.01389	2.2
95.05052	3.4
96.95984	1.2
97.02965	3.0
97.06599	1.3
99.04512	3.5
101.02459	2.7
101.06097	1.5
107.05007	1.4
108.02157	1.2
109.02979	6.0
109.06590	1.4
111.00150	1.8
111.00903	32.2
111.04536	97.3
111.08169	2.5
112.04868	3.8
113.02462	7.5
113.05344	1.8
113.06107	32.7
114.77079	0.9
123.04509	2.0
123.08170	4.3
124.01676	1.5
124.05322	4.3
125.02459	9.7
125.06120	2.4
125.09754	1.5
127.04024	2.1
127.07675	2.8
132.12903	1.0
135.04494	1.5
136.05298	1.6
137.02473	2.5
137.06070	3.2
137.09804	1.1
139.07686	3.3
141.01935	1.4
150.06819	1.2
151.00339	1.4
151.04039	1.6
151.07637	1.4
152.04791	1.1
154.06355	1.2
155.03653	2.4
155.07164	100.0
156.07460	5.2
163.11287	5.5
167.07159	2.0
177.05583	11.3
178.06216	1.3
179.03529	5.0
179.07094	1.6
179.10748	3.5
180.04236	1.2
181.05049	3.1
183.06615	10.9
184.07069	1.2
191.14516	1.1
193.12343	6.0
195.06645	74.6
195.13925	1.5
196.06963	4.1
197.11868	3.2
197.94484	1.2
205.08678	3.0
207.06612	3.4
207.10277	1.4
211.06157	4.1
211.13396	1.1
219.11916	1.4
219.13940	25.5
220.14275	2.0
225.11250	2.1
237.14951	19.3
238.15340	2.2
253.14363	3.1
261.14972	3.3
281.13965	6.5
281.17108	1.5
287.19943	1.5
293.17551	3.5
305.13995	10.7
306.14450	2.2
331.19147	2.8
333.16962	6.1
347.18591	1.3
349.20221	12.5
350.20636	2.1
375.18048	6.5
376.18356	1.1
393.19162	85.7
394.19577	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	393.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
57.93455	0.2
59.01386	2.9
61.46491	0.2
61.63102	0.2
61.98825	1.2
63.02383	0.5
65.00326	2.7
68.99817	0.8
69.42156	2.3
71.01392	0.6
81.49310	0.2
83.01373	1.8
83.88264	0.2
87.00920	0.3
95.74084	0.2
101.02426	0.4
107.01398	3.1
107.05052	0.7
108.99299	0.3
109.02985	1.9
114.57382	0.2
119.05050	0.3
125.02470	2.8
130.04163	0.2
131.05055	3.6
132.05412	0.4
133.02998	1.8
135.00879	0.6
143.05020	0.9
145.06648	0.4
147.04520	1.0
149.02470	0.4
149.06067	0.7
151.00391	6.1
151.04015	3.7
152.00739	0.4
155.05064	3.9
156.05394	0.3
157.02957	1.9
161.06152	0.3
171.04529	0.8
173.06090	2.3
174.03206	0.9
175.04021	11.1
176.04382	0.6
177.01961	1.2
189.05594	1.0
191.03508	2.3
191.05437	0.5
193.05086	1.5
198.03207	0.4
199.04027	19.1
200.04370	1.5
201.01929	1.3
213.76834	0.2
215.03516	0.8
217.05055	4.1
218.05421	0.4
219.02968	0.9
231.02974	0.7
233.04529	1.1
243.02977	63.5
244.03320	5.4
255.19728	0.2
260.16568	0.3
261.04025	100.0
262.01581	0.4
262.04361	8.7
273.53348	0.2
333.15680	0.3
337.71454	0.3
393.08194	2.3
393.17560	1.8
394.08621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
56.99804	0.3
57.03442	1.5
58.00595	4.7
59.01381	100.0
60.01714	1.5
61.02947	0.2
61.98831	1.2
68.99818	0.2
69.03459	0.4
70.00391	0.9
71.01388	70.1
72.01739	1.4
72.99316	5.0
73.02951	4.6
75.00875	0.2
81.03462	0.3
83.01398	3.9
85.02962	13.1
86.03305	0.4
87.00890	3.4
89.02456	99.9
90.02773	1.7
91.53375	0.2
93.03484	0.7
95.01400	3.4
97.02953	0.6
99.00893	4.1
99.04522	0.2
101.02457	41.1
102.02798	1.2
107.03467	0.3
109.02924	0.3
111.00935	0.3
111.04537	0.4
113.02466	23.9
113.06081	0.2
114.02816	0.7
119.03520	24.9
120.03845	0.4
124.01703	0.3
125.02467	2.4
129.01942	1.1
131.03523	52.0
132.03854	1.7
133.01472	0.2
139.04044	0.5
143.03528	5.7
145.05060	0.2
149.04576	18.4
150.04910	0.7
152.09692	0.2
155.03714	0.2
157.08720	0.2
161.04575	6.4
162.04857	0.4
163.04044	0.4
171.10294	0.4
173.04562	1.2
175.04015	0.2
175.60710	0.2
178.72261	0.2
179.05640	17.4
180.06039	0.4
187.07576	0.2
187.09853	0.3
189.05554	0.2
191.05630	21.1
192.05948	1.1
199.03993	0.3
219.06721	0.2
221.06725	0.3
231.02914	0.3
231.06517	0.4
231.12331	0.3
233.06789	0.3
243.03055	1.0
251.07689	0.7
258.01569	0.2
259.02310	0.9
260.02386	1.2
261.03787	1.5
261.13403	3.5
262.13809	0.4
271.02457	0.3
273.02911	0.4
274.03671	0.3
275.04684	0.2
284.09775	0.5
301.03580	0.5
302.03903	0.5
303.04175	2.2
323.12787	0.4
333.05139	1.5
393.07281	1.7
393.12061	0.3
393.17941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94480	0.3
57.77411	0.3
61.98836	4.2
63.02399	0.5
65.00323	2.9
65.95835	0.3
66.83003	0.3
68.99819	0.4
69.91412	1.5
69.91821	0.5
75.22198	0.3
76.62107	0.3
83.01393	1.9
89.03975	0.4
107.01413	4.1
107.05037	0.7
109.02969	2.0
123.04510	0.3
125.02469	3.3
127.05647	0.3
131.05055	3.3
133.02969	2.2
135.00885	0.8
143.05061	0.8
145.06593	0.6
147.04578	0.8
149.06113	1.1
151.00397	6.4
151.04019	4.1
155.05034	3.2
156.05431	0.3
157.03003	2.2
166.00429	0.3
171.04533	1.2
173.06096	4.7
174.03291	1.6
175.04027	11.5
176.04312	0.7
177.01971	2.9
188.26727	0.4
189.05571	0.7
191.03481	2.0
193.05072	2.4
198.03195	0.6
199.04018	17.1
200.04358	1.1
201.01965	1.4
215.03552	0.4
217.05069	5.7
218.05359	0.5
219.02971	0.5
233.04504	0.9
243.02980	48.8
244.03337	3.5
259.02429	0.4
261.04025	100.0
262.04373	8.4
393.08191	2.8
394.08658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82992	0.3
54.78913	0.3
55.85782	0.3
63.02394	0.7
65.00324	1.9
68.99808	0.7
71.01379	0.3
71.29565	0.4
71.29905	0.7
83.01392	1.8
85.02950	0.3
87.76978	0.3
89.03996	0.4
107.01408	2.6
107.05040	0.7
109.02988	1.9
123.04530	0.4
124.42092	0.3
125.02487	2.0
131.05034	2.4
133.02962	1.1
135.00946	0.3
135.04520	0.5
137.33208	0.3
140.54803	0.3
144.53772	0.3
144.61902	0.4
145.06583	0.5
147.04602	0.7
149.02429	0.4
149.06071	1.3
151.00380	5.2
151.04016	2.9
155.05048	2.9
156.05371	0.3
157.02982	2.2
158.79929	0.3
171.04517	0.9
173.06104	3.1
174.03156	0.9
175.04025	8.7
177.01974	1.7
189.05602	0.6
191.03622	2.2
191.05339	1.5
192.05859	0.5
193.05090	1.5
199.04028	16.1
200.04330	1.0
201.01938	1.5
215.03500	0.5
217.05077	3.5
218.05447	0.4
219.02986	0.6
226.99699	0.4
231.03023	0.5
233.04564	0.9
243.02982	51.0
244.03345	4.0
261.04034	100.0
262.04370	7.9
381.91489	0.3
393.08298	5.3
394.08270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98831	100.0
65.00333	0.3
69.58164	1.3
69.58576	0.3
83.01430	0.2
98.20647	0.2
107.01421	0.3
107.09471	0.2
109.03006	0.3
110.02187	0.2
112.26045	0.2
123.04532	1.1
125.02459	0.7
131.05028	0.3
133.02985	0.2
135.04538	0.8
136.04900	0.7
143.05005	0.2
151.00404	0.6
151.04045	0.5
155.05075	0.2
167.03523	5.6
168.03918	0.2
170.59895	0.2
173.06126	0.3
175.04008	0.9
177.01988	0.2
179.03598	0.2
180.03891	0.2
181.17464	0.2
191.05553	0.2
193.05022	0.3
199.04034	1.6
217.05106	0.4
230.04594	0.3
233.04605	0.2
243.02994	5.1
261.04025	10.9
329.08850	1.0
354.09219	0.5
393.08487	0.3
393.17856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03450	6.6
58.03786	1.3
59.01383	8.0
60.01710	0.8
61.98829	2.3
68.99846	1.3
69.03468	1.0
71.01395	2.7
71.05032	2.4
71.72060	0.8
73.02934	2.8
81.03490	0.7
82.37205	0.5
83.01400	1.0
83.05038	1.5
84.02213	0.6
84.72986	0.6
85.02969	4.4
85.06592	8.0
86.03313	0.6
87.00891	8.2
87.04536	1.8
88.01214	1.4
93.03424	0.7
95.05043	4.2
96.96039	1.0
97.02962	1.2
97.06622	1.2
98.03765	1.0
99.04571	0.7
101.02475	0.7
105.16908	0.7
107.05050	1.0
109.02991	1.4
109.06635	2.2
110.06934	0.7
111.00874	0.6
111.04545	11.4
111.08186	1.3
112.04826	1.3
113.02496	1.7
113.06122	1.5
114.06466	0.7
121.06661	0.9
121.40465	0.5
123.00912	2.6
123.04536	1.6
123.08216	2.7
124.01747	0.9
125.02465	1.3
125.06104	2.3
125.09743	1.0
126.06480	0.7
126.10000	0.6
127.07693	1.6
133.06596	0.7
135.04614	1.0
135.08212	1.5
137.02477	3.2
137.06145	1.0
137.09792	0.6
138.02899	1.0
139.04039	1.6
139.07698	1.7
141.01997	3.2
141.05632	2.7
141.09235	3.7
142.02318	1.0
142.05946	1.3
149.09813	1.8
151.04015	2.2
153.05629	2.2
153.09258	3.6
154.09593	3.0
155.07092	0.8
161.09804	0.6
165.01970	1.9
165.05611	1.0
166.02534	0.9
167.03403	1.5
169.08737	1.1
170.09094	1.0
177.02003	0.8
177.05615	0.6
177.09131	0.9
179.03627	0.7
179.07198	2.2
179.10834	1.8
180.04326	2.1
181.05118	1.8
183.03073	1.2
183.06639	10.2
184.06985	4.1
185.07126	0.7
191.07283	0.7
193.05066	0.6
193.08797	1.9
193.12433	1.2
195.06654	1.7
197.08186	1.3
198.05402	0.7
198.08551	1.2
203.07237	1.1
204.14870	0.7
205.08813	0.8
207.06834	0.7
207.10242	5.5
211.06152	3.9
212.06532	3.8
221.08211	17.5
222.08980	11.4
223.09766	21.7
224.06709	0.6
237.07594	0.7
237.15117	1.0
238.15324	2.1
263.09341	0.7
263.12900	0.7
264.13290	0.9
265.14301	0.9
277.14395	3.5
278.14816	7.1
279.12286	0.8
279.15048	0.8
280.12830	2.0
281.13974	1.3
292.19901	3.7
293.17639	1.5
304.20160	0.8
305.13922	2.0
305.17667	5.8
306.14474	3.2
308.12460	0.9
318.17932	3.8
320.19327	1.0
322.14151	4.1
323.14594	6.9
324.14844	0.9
330.21475	0.8
331.19266	0.9
332.19455	3.7
333.16995	1.2
337.16666	1.0
348.22531	0.8
349.20184	0.9
374.20404	2.9
375.18039	3.4
392.21771	100.0
393.18784	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	391.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.85023	0.4
59.01381	2.7
59.55627	0.4
69.03452	0.5
69.61821	0.4
71.01392	0.5
71.04996	0.8
71.49846	0.8
83.05052	0.4
85.02966	3.8
95.01414	0.6
96.02202	0.7
97.02980	1.0
99.08159	2.1
101.06092	1.7
109.06601	2.5
113.02447	1.2
119.05082	0.5
122.03783	0.6
125.06122	5.3
125.09775	2.0
127.07661	1.3
137.06067	0.6
137.09726	0.7
139.04155	0.5
148.01662	0.6
149.02441	0.4
151.04013	0.4
153.09225	2.0
153.20442	0.4
163.03955	0.5
164.04800	1.6
165.09238	0.6
169.08742	1.7
177.02034	1.1
179.07176	1.6
191.03543	6.0
192.04016	0.7
193.08696	1.2
193.12360	2.6
195.06668	2.6
197.08218	19.1
198.08516	1.2
202.99255	0.4
204.11617	0.6
205.08719	2.6
206.09476	1.7
209.04543	0.8
209.08144	0.5
219.06587	0.7
223.09804	0.7
233.08244	8.2
234.08800	1.6
235.09758	1.9
247.13416	0.5
248.10541	16.5
249.10924	1.6
251.09232	0.8
265.14459	2.6
289.14575	0.5
290.15250	0.7
303.16156	0.4
305.21811	0.4
319.15625	0.7
322.14188	1.8
331.19125	2.9
345.20844	0.9
347.18472	0.9
347.22372	1.0
349.20010	1.0
373.20206	17.8
374.20660	2.8
391.21301	100.0
392.21634	15.6
392.26767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2127
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
55.01880	6.9
57.03432	1.0
59.01371	1.8
67.01888	0.5
69.65416	3.0
71.05026	0.6
73.02907	0.5
75.00858	0.6
78.96941	0.4
79.01896	1.1
81.03466	0.3
83.01388	1.5
83.05038	0.6
85.02951	1.0
85.06594	1.2
87.00865	0.8
87.04521	15.4
95.05007	0.9
96.85030	0.4
97.02976	0.6
97.06593	0.5
98.19836	0.4
99.08195	0.7
101.06085	0.9
107.05048	0.6
109.02942	0.9
109.06558	0.5
111.04542	1.4
114.54890	0.4
115.04032	8.8
121.06661	2.3
122.03762	0.7
123.04522	2.0
123.08181	1.2
124.01708	0.5
125.02431	0.9
125.06100	6.4
127.07623	0.4
135.04524	1.5
136.05289	0.7
137.02463	1.7
137.06085	0.9
137.09718	2.4
139.04024	1.3
143.03522	4.0
144.32570	0.4
149.02501	0.6
149.09775	0.7
151.00410	2.1
151.04051	3.7
151.07645	1.1
163.04024	1.0
164.04781	0.4
165.05595	4.7
166.02771	0.7
166.06349	1.6
169.08719	0.7
173.06058	0.5
175.07690	2.0
177.01947	0.8
177.05595	0.4
178.06325	0.5
179.03439	0.5
179.10794	2.3
180.04257	0.7
181.05107	0.6
181.08733	0.5
184.54921	0.4
187.04054	0.5
189.05533	0.5
189.09210	0.5
190.10046	0.4
191.03532	1.4
191.05551	0.6
191.07176	0.5
191.10794	0.5
192.07892	0.6
194.05876	3.3
195.06601	1.9
197.08258	0.6
198.05371	2.2
203.07108	1.0
203.10791	1.8
205.12350	3.4
207.03094	0.5
207.06566	0.5
207.10228	0.9
209.08194	1.1
210.08977	1.3
211.06175	0.5
217.08699	1.1
221.11823	0.6
222.05357	1.4
222.08981	0.9
223.09766	2.9
231.10245	1.5
233.08218	0.9
234.08990	1.1
235.07401	0.7
235.09756	12.8
236.10063	1.2
245.15511	1.1
246.12544	0.7
247.13469	1.0
249.11310	25.8
250.11644	2.5
254.07996	0.4
259.16910	0.5
261.14920	0.5
265.14319	0.7
273.11035	0.4
276.10056	2.2
276.13635	0.7
277.14459	1.7
289.14545	0.7
289.33914	0.4
291.12360	7.1
292.12692	0.7
303.16003	11.5
303.19418	0.6
303.64276	0.7
304.16492	1.3
315.16388	0.8
315.19629	3.7
316.13187	0.5
329.21243	1.0
331.19223	4.5
347.22272	1.0
349.16617	0.5
359.18542	2.5
373.20181	5.5
374.20538	0.9
391.21268	100.0
392.21600	13.3
409.83487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.213
Annotation	Glabcensin J
Peak:m/z	Relative Intensity
51.19814	0.8
57.03451	7.0
58.40638	0.9
59.01385	7.1
65.00320	2.0
68.99803	1.7
69.52315	2.5
69.52729	6.4
71.05032	1.1
79.05535	2.4
81.03461	5.2
83.01399	3.0
83.05031	3.2
85.02961	77.1
85.68689	0.9
86.03300	1.3
87.00898	1.4
89.28473	0.8
95.01375	1.1
95.05071	2.1
97.03028	0.9
99.08171	7.3
101.06082	3.7
105.75994	0.9
107.05010	1.2
108.02197	2.6
109.02970	12.3
109.06589	2.4
110.00130	1.4
111.00891	1.8
111.04523	3.3
115.05560	1.0
121.03002	1.6
121.06616	1.8
122.03756	2.0
123.04530	2.9
123.08186	26.4
124.01679	1.8
124.72739	0.9
125.02446	3.1
125.06113	30.9
125.09795	1.0
126.06416	1.2
127.07664	3.3
133.06612	3.0
135.04533	1.8
136.01698	1.2
137.02487	2.0
137.09735	2.8
138.06949	1.1
139.04033	2.6
141.09253	1.0
147.08217	2.4
147.11801	2.8
149.06100	2.1
151.04005	6.0
151.07680	2.7
152.04796	1.4
153.05627	2.3
153.09244	1.5
161.60867	0.9
163.03967	2.2
164.08430	1.7
165.01924	2.2
165.05595	2.5
165.09232	17.4
167.03535	2.0
169.08723	29.5
170.08963	1.7
175.07639	2.4
177.05666	1.7
177.09227	1.4
178.06253	1.5
179.07118	1.6
179.10832	2.0
180.04311	1.8
181.08777	1.3
183.06543	1.4
189.12833	1.4
191.03601	1.7
191.07167	2.9
192.07918	5.6
193.08714	6.3
194.05798	1.2
195.06689	8.5
197.08168	6.6
201.12921	1.3
205.05049	2.3
205.08714	3.4
205.12274	1.6
207.06668	5.4
208.07321	2.5
209.08182	4.0
211.06146	1.8
211.09628	0.9
217.08687	1.6
217.12379	1.7
219.06651	36.1
219.10272	4.5
220.07271	5.4
220.10838	1.2
221.08177	2.8
221.15485	4.3
222.08992	1.8
223.09756	13.3
233.08194	2.3
235.09758	24.2
236.06888	1.2
236.10536	1.1
237.07654	2.7
245.11885	2.5
245.15417	8.2
247.09811	3.0
247.13351	5.6
248.10545	2.6
249.11320	11.9
259.20697	3.1
260.14236	1.4
261.11331	9.5
261.14740	1.6
261.18488	1.0
262.11777	2.8
263.16525	3.8
265.14487	2.5
273.11301	1.7
277.21637	4.5
287.20236	2.2
289.14517	3.4
301.21686	1.6
303.19745	1.6
311.19931	1.4
321.17068	3.0
322.14478	1.8
322.17801	7.9
323.15036	1.1
329.21237	63.0
330.21539	8.4
331.19171	100.0
332.19531	14.1
333.16931	1.4
347.22357	2.6
350.69495	0.9
373.20236	16.2
374.20886	8.9
375.18103	2.9
391.21292	47.5
392.22028	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	391.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03454	2.8
59.01374	0.5
69.03461	0.4
69.66743	3.1
71.05026	3.1
73.02913	0.5
81.03451	0.4
83.05045	0.7
83.76906	0.3
85.02965	1.0
85.98106	0.4
87.04530	1.1
95.05042	0.5
95.98057	0.4
97.02968	1.5
99.08167	4.1
101.06097	1.4
107.05070	0.5
109.02227	0.5
109.02969	9.5
109.06602	2.8
110.03757	1.4
111.04537	2.4
111.08162	0.7
121.06657	0.4
122.03745	0.5
123.00953	0.6
123.04553	1.8
123.08201	0.5
125.02489	2.7
125.06099	5.7
125.09673	0.4
127.07635	0.7
136.01631	0.5
137.02525	2.0
137.06113	2.3
137.09709	1.8
137.31430	0.4
138.03290	0.5
139.00381	1.3
139.07687	0.7
139.11287	1.3
141.01898	0.5
147.08167	0.7
148.13576	0.4
149.09738	1.6
151.11301	1.2
153.01942	4.2
154.02730	1.5
155.10803	0.8
164.04825	1.1
165.05588	0.7
165.09215	3.1
167.10799	2.9
168.78270	0.4
175.07654	2.1
177.09221	1.4
178.06381	0.9
179.07187	0.5
179.10791	2.1
180.00677	0.6
181.05115	0.8
182.02251	2.9
183.10251	0.7
191.10783	0.6
193.08704	29.3
194.09186	2.3
195.06607	0.8
195.10292	3.5
197.08180	1.0
205.05098	0.4
206.09503	0.4
207.06699	0.7
207.10349	0.6
209.04411	0.4
209.08211	6.0
209.15565	0.4
211.09758	17.2
212.10143	1.1
219.06618	0.8
221.08177	1.4
221.15498	0.5
223.06146	0.4
225.07677	0.7
237.14819	0.6
238.08456	9.4
239.08891	1.0
247.13393	0.6
259.17145	0.5
261.14856	0.5
265.14395	3.0
277.60245	0.4
289.14389	0.9
290.15198	0.5
303.16061	0.5
331.19147	0.8
335.18619	7.4
336.18713	0.8
345.20761	0.5
347.22339	2.0
348.18994	1.7
355.19012	1.1
371.52206	0.4
373.20218	15.7
374.20749	2.1
391.21274	100.0
392.21585	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	391.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81375	0.3
54.92023	0.3
55.01872	0.4
57.03452	4.1
59.01368	0.8
63.54381	0.3
69.03461	0.5
69.58724	2.9
71.01414	0.3
71.05018	1.4
73.02959	0.5
79.01892	0.4
81.03452	1.0
85.02966	0.9
89.35130	0.3
96.98313	0.3
97.02936	0.4
99.08168	1.1
101.06130	0.5
101.35839	0.4
106.04239	0.3
109.03027	0.3
109.06586	1.5
111.04441	0.3
111.08213	0.4
113.02456	0.3
121.06622	0.5
125.06109	5.2
125.09730	0.3
126.06436	1.1
127.06741	0.4
135.08174	0.6
137.09741	22.6
138.10068	1.1
139.07703	0.5
139.11293	0.5
144.10669	0.3
151.04089	0.4
155.10812	4.3
156.11122	0.5
159.65352	0.3
163.07698	0.4
164.08508	0.5
175.11395	0.4
177.01976	0.3
177.09146	0.4
189.12758	0.3
193.12349	0.5
197.08257	1.3
206.43698	0.3
207.14136	0.4
209.11852	1.2
211.09636	0.3
221.18381	0.3
235.09932	0.4
245.15466	0.4
247.09625	0.5
259.16904	0.4
265.14120	0.5
307.15485	0.7
329.21362	1.3
341.02448	0.3
347.22229	1.5
373.20325	2.9
391.21274	100.0
392.21625	15.0
392.26813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2128
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
55.01875	1.8
55.53145	0.3
57.03444	5.0
59.01385	5.7
61.98840	0.5
68.99843	0.9
69.03461	0.8
70.87230	0.7
70.87547	0.5
71.01396	1.7
71.05038	1.0
72.02153	0.4
73.02949	2.9
81.03472	0.9
83.01411	0.9
83.05050	1.0
85.02953	5.2
85.06611	0.5
87.00883	9.6
87.04536	1.1
93.03492	0.5
95.01409	0.3
95.05044	4.2
97.02991	1.5
97.06632	1.1
98.03773	1.1
99.04549	0.6
101.02479	0.8
107.05054	1.0
109.02989	0.6
109.06611	2.1
111.00913	0.8
111.04539	9.9
111.08166	1.1
113.02431	2.0
113.06104	2.0
121.06610	0.6
122.03785	0.4
123.00924	2.6
123.04558	0.9
123.08209	1.3
124.01696	1.1
125.02485	1.5
125.06106	1.7
125.09779	1.0
127.07678	1.0
128.01173	0.5
135.08191	1.5
137.02457	8.8
137.03479	0.5
137.06136	0.4
137.09750	0.9
138.03299	0.7
139.04071	0.9
139.07715	1.3
139.85297	0.4
141.01962	6.4
141.05579	2.9
141.09283	0.7
147.08205	0.4
149.02470	0.5
149.09767	1.7
151.04088	1.2
151.07672	0.9
151.11346	0.5
152.08453	0.5
153.05606	0.6
153.09233	6.0
154.09613	0.6
155.07199	1.6
163.04056	0.4
165.01930	2.4
165.05653	0.5
166.02716	0.8
167.03560	1.5
167.07259	0.4
167.98076	0.3
168.04285	0.3
169.01428	0.6
169.05115	1.2
169.08670	0.9
171.17400	0.3
177.05710	0.7
179.03543	0.7
179.07211	1.3
179.10760	0.5
181.05153	1.4
181.08662	0.5
183.03096	1.2
183.06642	18.4
184.07016	1.2
191.07228	1.2
191.10838	0.4
193.08826	0.5
193.12372	1.2
195.06650	1.2
197.08252	1.2
203.14464	0.8
205.20450	0.4
211.06120	11.9
211.09779	0.4
211.13457	0.6
212.06508	0.8
214.04889	0.9
219.13940	0.8
221.11913	0.6
221.94356	0.4
233.08336	0.4
235.09633	0.4
237.07692	0.5
237.14952	3.6
247.13547	0.5
249.11235	0.4
250.43961	0.4
259.13437	1.0
261.14948	0.5
263.12866	1.8
265.14624	1.2
273.18875	0.4
275.13254	0.5
277.14423	9.2
277.17258	0.6
278.15015	0.7
279.09747	0.4
279.12277	1.9
289.10837	0.6
289.18033	0.5
291.19662	4.4
294.14795	1.2
295.15350	0.8
303.16150	0.4
303.19516	0.4
304.13348	0.7
305.13928	4.5
306.14297	0.6
307.11969	1.3
311.20029	0.4
317.17624	2.7
321.17358	0.6
322.14200	9.5
323.14709	1.1
329.21347	1.1
331.19189	4.4
332.19589	0.7
345.20688	0.4
347.22192	0.8
349.16678	1.1
363.21982	0.6
373.20209	3.0
391.17575	11.3
391.21484	100.0
392.17789	1.9
392.21860	15.1
401.77493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03445	6.7
59.01375	9.0
61.98835	2.1
68.99823	1.2
69.03458	1.3
71.01377	1.6
71.05030	6.4
72.24569	0.7
72.99293	0.9
73.02959	1.4
81.03469	1.0
83.01394	1.2
83.05038	2.3
83.30453	0.6
85.02959	14.8
85.06622	1.3
87.00880	8.2
95.01449	0.8
95.05064	2.2
99.08170	3.9
101.02454	1.6
101.06097	3.5
107.05074	0.8
109.02979	3.7
109.06641	1.2
109.27710	0.7
111.00938	1.7
111.04537	6.7
113.02493	1.1
121.02975	2.8
121.06609	0.9
122.03754	1.2
123.04564	2.2
123.08184	1.1
124.01716	2.7
125.02462	9.9
125.06104	9.9
125.09755	1.4
127.07678	2.1
135.04547	14.8
135.08173	4.2
136.05321	1.6
137.02460	29.3
137.06096	1.8
137.09738	2.2
138.03166	2.0
138.06883	1.8
139.04018	10.0
139.11205	0.6
141.01938	2.5
142.02769	0.8
147.11790	1.0
149.06134	1.2
149.09735	1.2
151.04036	2.9
151.07668	1.5
151.11340	0.8
152.04884	0.9
153.09235	2.9
153.12907	0.8
155.07205	0.7
163.04051	1.9
163.07700	1.0
163.11403	1.4
164.04816	1.1
165.02049	1.5
165.09242	0.8
165.12805	0.8
166.02780	2.1
167.03508	0.9
169.08708	12.6
170.09094	1.2
175.07657	1.1
177.12813	0.8
179.03548	2.0
179.07220	1.9
179.10791	19.1
180.04187	1.1
180.11136	1.5
181.05104	1.2
181.08701	1.0
183.06702	1.1
189.09207	3.5
190.09897	1.4
191.07188	2.1
191.10770	1.3
193.08702	3.6
193.12373	2.1
195.06654	0.9
197.08234	2.1
197.11884	0.7
203.10837	5.3
204.11563	9.0
205.08734	1.2
205.12039	0.7
207.10500	1.0
207.13965	1.4
209.08211	15.6
209.11862	2.0
210.08711	1.1
211.06064	2.1
211.09859	1.6
217.12262	1.1
219.10361	1.2
221.11874	2.5
221.15428	1.0
227.09271	1.6
233.08231	0.9
233.11726	1.9
235.09734	1.3
237.07663	1.3
237.15004	1.1
245.08197	0.7
247.09801	1.5
247.13524	2.1
248.10556	0.9
248.13806	0.6
249.11375	2.0
251.16643	0.7
261.14996	1.6
263.12799	0.8
265.11557	0.9
265.14383	5.7
266.14868	0.8
276.13702	4.2
277.11249	0.9
277.14423	19.3
278.15024	2.5
289.14474	2.6
291.16742	1.0
291.19580	5.5
303.16217	1.2
303.19656	0.9
304.13101	5.4
305.13791	2.0
317.17538	1.0
322.14285	2.1
329.21225	16.8
330.21619	2.7
331.19153	3.3
335.18710	2.0
345.20749	4.5
347.18585	1.1
347.22278	7.5
348.22528	1.4
355.19376	1.1
363.18158	0.9
367.37445	0.7
371.33292	0.7
373.20206	57.9
374.20502	9.0
378.77829	0.7
391.21350	100.0
392.21741	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	391.2128
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
54.98256	0.8
55.01875	1.1
55.13687	0.7
57.03436	2.1
59.01390	3.9
61.35137	0.8
68.99848	0.8
69.71899	5.7
70.16375	0.8
71.01379	1.0
71.05013	4.0
73.02955	2.5
83.01406	1.2
83.05041	0.9
85.02962	31.3
86.03310	0.9
87.00888	16.4
95.05020	0.9
97.02958	0.7
98.03740	1.6
99.08166	12.6
100.01676	1.1
101.02441	3.7
101.06093	7.9
109.02979	3.6
109.06638	2.2
111.00899	2.2
111.04529	0.9
115.07681	1.5
122.03744	1.2
123.04551	1.3
124.01630	1.0
125.02472	6.5
125.06107	20.3
127.07681	4.0
131.84267	0.9
135.04514	1.0
137.02513	1.2
137.06085	1.8
137.09737	1.8
137.10785	1.1
138.03288	1.6
138.06903	9.4
149.06015	0.9
151.03992	0.9
152.08479	1.0
153.01955	1.9
153.05608	1.7
153.09294	1.0
155.10835	1.1
163.04028	1.7
163.11311	3.5
164.04857	1.6
165.09258	1.9
166.02757	1.0
167.07188	0.7
167.10820	1.4
169.08727	29.7
170.09125	1.1
174.34416	0.9
175.07666	1.3
177.05656	0.8
179.10893	1.9
180.11583	0.8
182.02235	1.7
191.03484	0.9
191.07127	1.6
192.07825	1.2
193.08698	11.0
193.12224	0.8
195.06691	1.0
195.10283	1.2
197.08182	4.6
206.05800	1.2
207.13927	7.0
209.08208	32.3
209.11792	8.2
209.15608	1.0
210.08553	2.2
211.06070	1.1
211.09727	8.1
219.06564	1.0
221.08269	1.5
221.15546	2.9
227.09163	4.4
233.08217	1.4
233.11870	2.6
235.09685	1.3
237.07663	2.5
237.14919	3.7
238.08501	6.9
239.09119	1.0
245.15385	1.4
247.09689	1.2
247.13373	2.2
248.10474	2.2
249.18732	1.1
254.07907	1.2
263.20300	1.1
265.14407	7.3
289.14407	7.0
291.19659	28.6
292.20099	2.6
303.19669	1.1
317.17471	1.2
322.14224	1.2
331.19162	13.1
332.19412	1.9
335.18732	2.5
373.20255	11.4
374.20358	2.1
391.21274	100.0
392.21567	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	391.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31471	0.2
53.33364	0.2
55.87690	0.2
57.03444	0.7
59.01375	1.0
65.38265	0.2
69.03466	0.3
69.78593	0.5
69.79002	0.9
71.01379	0.4
71.05013	0.5
85.02959	1.3
95.01400	0.4
96.02194	0.4
97.02928	0.4
99.08170	1.0
101.00289	0.2
101.06109	0.6
109.06615	1.3
113.02463	0.5
125.06100	2.3
125.09734	0.9
127.07704	0.3
135.30431	0.2
151.04036	0.2
153.09210	1.4
164.04791	0.3
169.08766	0.6
177.01843	0.3
179.07211	0.4
191.03477	0.7
193.12329	0.8
195.06705	0.4
197.08208	9.6
197.10062	0.5
198.08618	0.3
200.16916	0.3
204.11673	0.4
205.08698	1.0
206.09482	0.8
208.07541	0.2
233.08194	0.9
247.13362	0.3
248.10573	2.2
261.14893	0.2
265.14465	1.7
268.38776	0.2
290.15240	0.3
329.21356	0.3
331.19122	1.8
345.20837	0.6
347.22369	0.4
349.20447	0.2
355.19092	0.2
373.20166	5.9
374.20667	0.6
391.21280	100.0
392.21594	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	391.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01378	1.7
62.85626	0.2
65.00317	0.2
68.99802	0.4
71.04998	0.8
71.72746	0.2
71.73156	0.3
79.01868	0.4
79.05517	0.3
81.03448	0.5
85.02957	6.5
94.70177	0.2
95.05016	0.7
97.02934	0.5
97.06548	0.3
99.08177	1.1
101.06100	0.5
104.24723	0.2
107.05048	1.7
108.02175	0.3
109.02956	1.2
109.06584	0.5
111.04522	1.4
111.08092	0.2
113.02452	0.4
113.06144	0.2
121.02961	0.2
122.03696	0.3
123.04546	3.2
123.08175	3.4
125.02494	0.4
125.06095	8.7
126.06421	0.3
127.07648	0.9
133.06551	0.4
135.04576	0.2
135.08163	0.3
137.02417	0.4
137.06052	0.3
137.09711	1.0
138.03236	0.4
139.04025	0.4
141.01923	0.4
147.08189	0.3
147.11707	0.2
149.02412	0.7
149.06081	0.4
150.03194	0.6
151.04024	11.9
151.07643	0.3
155.07178	0.3
163.00427	0.3
163.03963	0.4
165.01862	0.3
165.05554	0.4
165.09189	1.7
166.02718	1.1
169.08727	4.0
173.09772	0.3
175.07690	0.3
177.01962	2.7
177.05550	0.4
177.12679	0.3
178.06316	0.3
179.03503	1.8
179.07262	0.2
179.10779	0.6
180.04272	2.3
183.06642	3.8
189.09210	0.5
191.03464	0.3
191.07094	0.5
191.10767	0.6
192.07916	0.6
193.08618	0.9
193.12492	0.2
194.05782	0.2
195.06662	0.9
197.08240	0.9
202.06310	0.2
203.10741	0.3
205.05099	0.8
205.08641	0.5
206.09369	0.3
207.06764	0.9
207.10262	3.0
209.08195	0.7
211.06087	0.7
217.08716	4.6
217.12253	0.2
219.06651	0.8
219.10223	0.8
219.13870	0.2
221.08215	3.6
221.15547	0.4
222.08948	1.7
223.09724	2.1
223.48233	0.2
231.10277	0.3
231.61070	0.2
233.08150	2.4
234.08664	0.3
235.09752	100.0
236.10545	5.6
237.07562	0.2
245.11861	0.4
245.15382	0.6
247.09680	1.3
247.13420	0.6
249.11273	2.6
249.60760	0.2
259.20749	0.3
260.14203	0.2
261.11334	1.4
262.11847	0.4
273.11295	0.3
277.21713	0.8
287.20108	0.5
289.17877	0.3
305.17819	0.2
307.15546	0.8
311.20151	0.4
315.16068	0.6
322.14410	0.2
322.17987	0.3
329.21219	6.4
330.21613	0.8
331.19135	10.7
332.19516	1.2
333.17084	7.6
333.48148	0.2
335.18655	1.7
347.22516	0.4
349.20099	0.4
359.18494	0.3
363.21912	0.3
373.20255	2.1
374.20972	0.8
375.21869	0.3
377.19910	0.4
391.21344	15.3
392.21991	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
57.03440	0.8
58.00599	0.7
59.01379	100.0
60.01709	1.2
61.98568	0.3
61.98831	1.9
66.69872	0.2
69.03496	0.4
71.01385	12.2
72.87407	0.3
72.99317	0.7
73.02951	2.2
81.03479	0.5
83.01403	1.3
85.02963	4.7
87.00883	0.8
89.02455	9.5
95.01410	0.8
97.02924	0.3
98.19825	0.6
98.77192	0.3
99.00885	0.8
101.02457	9.7
102.02824	0.3
106.06653	1.0
109.02966	0.4
113.02467	5.6
119.03521	4.2
119.05011	0.7
120.03841	0.3
121.03039	0.6
123.00885	0.5
125.02480	1.4
125.06148	0.4
131.03572	0.5
137.02528	0.3
143.03537	0.9
145.02989	0.5
147.85811	0.3
149.02460	1.1
149.04556	0.3
150.03276	0.6
150.05641	1.1
151.00418	0.8
151.04103	0.7
157.06537	0.3
159.03038	0.8
159.04443	0.5
161.02513	0.5
161.04593	6.0
161.05905	0.6
163.04053	0.7
169.01514	0.4
171.04607	0.3
173.06036	0.5
179.05634	2.3
185.06200	0.6
187.04013	0.4
191.03542	0.3
191.05594	0.8
193.01453	0.4
193.05069	0.7
203.03690	0.3
206.92979	0.3
211.13274	0.4
212.50751	0.3
215.03452	0.6
227.03574	0.9
229.05141	1.4
229.14490	1.7
229.18036	0.3
233.04639	0.5
243.03053	0.5
258.01700	4.5
259.02371	2.8
271.02472	7.5
271.06061	3.3
272.03192	2.7
273.04041	14.0
274.04367	1.5
283.02557	0.5
285.04056	3.0
299.02240	0.4
301.03552	39.8
302.03870	4.2
309.04388	0.4
310.10416	0.3
313.03482	1.2
322.25308	0.3
331.04608	7.8
331.17657	3.9
332.04706	0.6
332.17834	0.4
337.03262	0.5
343.04639	0.4
347.07529	0.3
355.04620	1.1
356.09967	0.9
391.06668	5.3
391.18881	3.0
391.23349	2.7
392.07224	0.7
392.19696	0.5
392.24149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2126
Annotation	Kuhistanol C
Peak:m/z	Relative Intensity
55.01878	1.7
57.03454	4.2
59.01379	3.6
61.98836	6.0
68.99833	3.3
69.03455	1.0
70.45638	2.7
70.91850	0.6
71.05013	1.9
73.02950	1.6
81.03453	1.0
83.01386	2.4
83.05016	0.8
85.02947	3.2
85.06564	0.8
87.00870	1.5
87.04523	1.5
87.56445	0.6
93.03480	0.8
94.66685	0.6
95.05038	3.0
97.02946	1.6
99.00889	1.0
101.02455	1.8
107.05038	2.0
108.02153	0.7
109.02968	1.7
109.06621	0.7
111.00896	1.7
111.04535	32.1
112.04865	1.3
113.02448	2.0
113.06087	2.4
123.00871	1.7
123.04548	2.1
123.08171	1.7
124.01658	0.8
125.02457	4.1
125.06105	3.9
125.09785	0.7
133.06686	0.6
135.00868	0.7
135.08186	1.0
137.02463	1.7
137.06122	0.8
137.09723	2.2
138.03223	1.2
139.03987	1.9
139.07666	0.8
141.01959	7.4
141.05553	1.0
149.06004	0.9
151.04022	1.9
151.07651	1.7
153.01959	5.8
153.09201	1.6
163.11360	0.7
165.05577	1.5
165.09283	0.9
166.02678	1.2
167.03520	7.0
167.07193	1.6
168.04303	10.4
169.05074	7.2
177.05544	0.6
177.09268	0.8
179.07176	2.2
181.05096	15.5
181.08694	4.6
182.05634	1.4
183.06647	8.0
191.10736	0.7
192.04323	0.7
193.05057	1.5
193.12216	1.0
194.05788	1.1
195.06653	11.4
196.03807	1.2
196.06784	0.8
197.08249	0.8
197.11862	1.0
197.38455	0.6
200.03299	0.7
207.06593	0.8
209.04553	2.6
209.11795	0.7
210.05219	0.8
211.06119	19.1
212.06422	1.2
214.04829	7.8
215.05135	0.7
217.12386	0.8
221.08215	1.6
223.06180	4.3
234.08904	1.4
235.09615	1.0
237.07765	3.4
237.11334	0.9
251.12823	1.0
263.09253	0.6
263.12820	1.0
264.09909	0.6
266.11411	1.3
277.14398	2.8
278.15182	0.8
279.12399	3.6
289.10760	0.6
293.13779	0.8
295.15500	7.8
303.15964	1.6
305.13907	1.7
307.11847	0.7
321.17068	3.1
322.14203	69.2
323.14578	7.7
335.18668	10.1
336.18893	0.7
349.16559	26.4
350.16714	3.2
373.20108	2.5
390.25336	0.6
391.17499	100.0
391.21411	61.9
392.17819	13.9
392.21744	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
58.00574	0.2
59.01380	100.0
60.01709	1.0
69.66972	1.4
69.67375	0.6
71.01382	4.2
72.99310	0.2
73.02956	0.4
73.82003	0.2
82.56446	0.2
82.68285	0.2
85.02960	0.7
89.02450	5.6
89.02998	0.4
95.01443	0.3
97.72012	0.2
101.02448	2.8
113.02474	2.2
117.36543	0.2
119.03514	3.0
131.03513	0.4
143.03535	0.8
158.41386	0.2
161.04550	1.4
179.05644	1.4
229.05029	1.6
258.01666	0.3
259.02524	0.4
285.51385	0.2
297.48087	0.2
301.03580	1.0
331.04755	0.5
331.17645	1.1
391.06699	0.4
391.19852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48760	0.3
54.19828	0.3
55.01873	0.3
57.03450	0.3
59.01379	100.0
60.01711	1.1
61.98837	1.2
71.01385	5.9
71.72262	0.4
72.99307	0.5
73.02959	1.1
83.01432	0.7
85.02948	2.0
87.00889	0.3
89.02453	4.7
95.01443	0.9
99.00933	0.4
101.02458	4.7
113.02466	2.9
119.03516	2.8
119.05032	0.4
135.98439	0.3
137.06125	0.3
143.03528	0.7
161.04604	2.2
173.04726	0.3
179.05612	1.5
188.29465	0.3
191.05768	0.4
208.24883	0.3
258.01755	0.8
259.02502	0.8
301.03473	2.0
301.06488	0.3
331.04681	1.0
331.17566	4.2
391.06558	2.0
391.19449	1.0
391.23557	0.9
397.92889	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1035
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
57.03455	0.2
58.29405	0.2
59.01378	22.5
60.01764	0.3
61.02601	0.2
61.98830	11.1
63.02407	1.1
65.00324	5.2
66.00675	0.3
67.01900	0.3
71.01388	3.2
71.71951	0.5
73.02969	0.4
83.01392	4.4
85.02992	1.0
86.75536	0.3
87.00903	0.3
89.02472	1.5
91.01910	0.2
93.03518	0.3
95.01362	0.3
97.02960	0.7
99.00922	0.3
101.02449	2.0
101.03986	0.2
107.01404	6.9
112.22066	0.3
112.84808	0.3
113.02466	1.2
119.03621	0.5
119.05045	5.2
121.02973	0.7
125.02477	0.9
131.01414	1.1
135.00926	0.3
136.01721	0.4
141.07135	0.5
141.63911	0.3
143.05061	5.0
144.05374	0.3
145.02969	11.6
146.03297	0.7
147.04523	0.3
147.84413	0.2
151.00386	18.7
152.00755	0.7
153.12891	0.7
157.06575	0.7
161.04601	1.2
161.06107	5.6
162.06465	0.4
163.66624	0.2
169.01346	0.4
175.00372	2.5
185.06099	9.2
186.06377	0.6
187.04128	0.6
191.05682	0.6
193.01375	0.4
197.06184	0.6
199.04060	0.8
205.01427	0.3
211.13411	1.0
213.05664	1.2
225.05577	0.9
227.03561	0.7
227.06995	0.3
228.04353	0.3
229.05060	100.0
229.14195	1.3
230.05400	8.0
241.05077	0.7
241.80038	0.2
243.06638	2.6
253.05057	19.6
254.05368	1.7
258.01624	1.1
259.02451	1.6
271.02686	0.9
271.06113	9.7
272.03339	0.4
272.06424	0.9
273.04092	0.5
273.07178	0.3
283.06146	2.7
295.06311	0.5
301.03714	1.6
301.06805	0.5
313.07214	0.3
331.04587	1.9
331.08041	0.6
331.17654	0.8
332.04968	0.4
391.06592	0.7
391.10645	5.2
391.19656	9.7
392.10669	0.7
392.20013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24416	0.4
59.01378	100.0
60.01707	1.2
61.98833	1.4
65.55197	0.3
67.01892	0.5
69.61474	1.7
69.61904	1.1
71.01389	3.6
73.02971	0.5
83.01406	0.6
85.02950	3.3
87.00901	0.7
89.02452	3.3
93.03462	3.8
93.26862	0.3
99.00901	0.6
101.02425	2.1
111.04536	0.6
113.02478	1.5
119.03531	1.3
127.04028	0.7
135.04544	3.9
161.02502	0.6
161.04607	1.4
169.08708	0.4
173.04556	4.7
179.03540	1.1
179.05676	1.4
191.05618	30.3
192.05934	2.7
193.06160	0.7
213.17001	0.3
301.03812	0.6
331.17630	2.7
332.18109	0.4
353.08795	6.7
353.12949	0.4
354.09259	1.2
355.09427	0.9
384.61874	0.3
391.06335	2.9
391.19833	2.0
392.06522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26418	0.4
53.31045	0.4
55.01864	1.3
56.30610	0.4
57.03438	1.4
58.00585	0.6
59.01381	30.0
60.01706	1.0
61.01815	0.7
61.98827	1.1
65.00333	3.2
67.01884	0.6
67.59928	0.4
68.99812	0.6
69.03452	1.7
71.01388	11.7
71.71854	0.5
72.01719	1.4
72.99310	0.7
73.02943	1.9
79.01897	1.9
80.34989	0.4
81.03457	4.2
83.01393	4.9
83.05012	0.5
85.02962	3.8
86.03295	0.4
87.00889	0.7
89.02457	7.1
89.54536	0.4
90.02790	1.0
91.02895	0.6
91.76748	0.4
93.03452	1.6
95.01387	2.4
97.02967	6.0
99.00908	0.6
99.04561	0.5
101.02455	7.6
101.03975	0.6
102.02768	1.0
107.01419	2.4
109.02971	0.8
113.02471	5.4
114.02808	0.5
119.03550	3.1
119.05027	6.5
120.03876	0.4
121.02978	5.9
123.00902	1.2
123.04532	0.7
125.02465	17.6
126.02753	0.7
131.03563	0.5
135.00868	0.5
136.01619	0.5
137.02448	0.9
140.56749	0.4
141.07104	1.3
143.05054	5.4
145.02974	12.7
146.03314	0.8
149.02458	2.5
151.00386	4.6
155.03497	1.4
155.08670	3.9
156.05769	0.5
157.06631	3.9
159.03014	0.6
161.04575	3.4
161.06100	2.4
162.04922	0.8
163.00418	3.4
163.05113	0.5
165.01974	2.9
167.03488	0.6
169.06569	0.7
171.08199	0.7
175.07637	0.7
176.25795	0.4
177.01903	1.0
179.05582	0.9
183.08156	1.2
184.05319	2.6
185.06105	8.6
185.11887	0.6
186.06468	0.9
187.03998	1.3
193.01424	2.9
193.05075	0.7
197.06161	1.0
199.07680	7.0
201.05551	1.2
203.07141	2.2
209.06136	0.8
211.07623	0.6
213.01933	0.5
213.05475	0.7
221.42061	0.4
227.03535	0.7
227.07161	4.3
228.07588	0.7
229.05067	18.7
229.17094	0.4
230.05463	1.9
239.07143	0.8
241.01506	0.6
241.05063	6.5
242.05638	1.0
243.06657	3.3
255.06593	1.7
258.01715	3.1
259.02335	1.7
268.03616	0.5
271.06104	100.0
272.03220	1.5
272.06418	10.3
273.04053	3.2
283.06061	2.9
285.04117	0.9
285.07550	0.4
301.03546	13.5
301.07190	24.1
302.03851	1.4
302.07529	2.4
313.07230	1.5
331.04559	3.6
331.17712	1.2
373.09390	1.9
390.22049	0.9
391.06470	2.6
391.10764	6.8
391.18808	1.5
391.23038	2.7
392.10822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1035
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
57.10524	0.2
59.01381	9.8
63.02406	0.8
65.00328	6.1
71.01379	1.1
71.87888	0.3
74.14093	0.2
78.41521	0.3
83.01385	3.7
89.02480	0.4
95.31822	0.3
101.02440	0.8
107.00697	0.5
107.01405	7.6
119.05040	3.3
121.02977	2.1
125.02467	1.2
137.02536	0.3
137.97736	0.3
141.07144	0.3
143.05043	3.4
145.02974	8.5
145.04117	0.5
146.03383	0.6
149.02467	0.5
151.00394	19.6
152.00754	0.7
157.06578	0.6
161.04724	0.5
161.06096	3.3
185.06088	7.9
186.06461	0.6
187.04057	0.6
188.11601	0.2
191.05540	0.3
195.17552	0.3
215.03465	0.5
225.05574	1.1
227.03557	0.3
229.05066	100.0
230.05392	9.6
235.06714	0.4
253.05072	1.2
258.01685	6.0
258.04227	0.5
259.02423	6.4
260.02844	0.4
271.02509	3.5
271.06042	1.4
272.03290	1.9
273.04016	1.7
285.04053	0.8
301.03568	11.5
302.03809	1.1
304.02368	0.3
308.77246	0.3
313.03445	1.0
331.04614	7.7
331.17679	0.9
332.04935	1.1
355.04752	0.4
373.05893	0.4
391.06580	7.7
391.10550	6.4
391.19696	1.7
392.06909	1.0
392.10995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.0
59.07271	0.4
60.01708	0.5
61.98841	2.5
61.99097	0.4
65.00331	0.5
69.52335	3.7
69.52742	0.6
71.01382	5.1
71.67389	0.4
73.02948	1.4
81.26812	0.4
83.01402	0.8
85.02969	1.7
87.00877	0.7
89.02441	3.9
90.60277	0.4
93.03477	0.7
95.01398	0.8
97.06615	0.8
98.20616	0.6
101.02435	3.6
107.01391	0.5
108.02230	0.7
109.02996	2.1
111.04503	0.6
113.02499	2.2
113.03181	0.4
119.03487	1.1
119.04929	0.4
123.00887	0.5
123.04538	0.7
125.02465	2.4
127.07664	0.5
129.24561	0.4
133.44987	0.5
135.00883	0.6
135.04514	0.6
145.02998	1.1
149.02397	0.9
151.00383	4.1
159.03003	0.7
161.02457	1.2
161.04605	2.2
163.00327	1.1
163.04121	0.7
167.14474	2.4
171.04506	0.8
173.04631	0.6
174.03226	1.3
177.02022	0.8
179.03491	1.0
179.05695	0.7
185.06114	1.0
187.04015	1.9
189.01900	0.6
191.03705	0.4
191.05658	1.2
199.04002	0.9
199.78409	0.4
201.01918	0.5
201.05444	0.5
202.02672	0.5
203.03523	1.5
205.05258	0.5
211.04004	0.6
211.13406	2.0
213.01828	0.6
214.02710	0.6
215.03520	4.3
216.03920	0.8
227.03455	3.1
228.04074	0.5
229.01483	0.9
229.05078	4.3
229.14468	1.2
230.02119	1.3
231.02943	1.4
239.03632	0.5
242.02240	1.0
243.02957	2.4
245.04453	0.6
255.02972	1.5
257.04605	1.0
258.01685	51.5
259.02435	57.9
260.02798	4.7
271.02454	30.9
271.05719	0.5
272.03198	18.5
273.04007	12.4
274.04370	1.0
275.01981	0.8
281.04843	0.5
283.02591	2.3
285.04089	5.8
286.04428	0.7
287.01926	0.5
298.01193	1.7
299.02100	0.7
301.03543	100.0
302.03873	9.2
304.02347	2.6
313.03558	9.4
314.00650	1.2
314.04016	0.9
315.01547	4.5
315.04922	0.5
327.05392	0.6
331.04599	70.6
331.17551	5.0
332.04929	7.2
341.06635	1.5
343.04565	1.3
355.04675	2.2
359.07593	1.2
361.05692	0.8
369.92447	0.4
373.05676	3.6
391.06705	78.0
391.20175	2.1
392.06982	9.4
396.20447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03795	0.5
55.10202	0.5
58.68284	0.4
59.01382	61.0
60.01715	0.9
61.47247	0.5
61.98836	2.3
65.00343	0.5
69.78764	3.2
69.79197	0.9
70.75608	0.5
71.01391	6.9
73.02984	0.8
83.01441	0.6
85.02950	2.9
88.64210	0.6
89.02473	4.8
93.03472	0.8
95.01412	1.3
99.00846	0.6
101.02467	4.6
107.01417	0.7
108.02166	0.6
109.02987	2.1
111.04527	0.6
113.02486	2.5
114.52654	0.5
119.03533	1.5
119.05047	0.9
121.02946	0.7
123.00887	0.6
124.01675	0.5
125.02494	2.1
128.30978	0.5
135.04509	0.8
144.33170	0.5
145.02971	0.7
151.00414	5.3
159.04517	0.7
161.02510	1.3
161.04584	3.4
163.00407	1.2
167.14484	3.2
174.03223	1.5
177.01967	0.8
185.06158	1.1
186.06711	0.7
187.04028	2.4
189.02054	0.8
191.05661	1.4
192.00726	0.5
199.04066	0.9
203.03618	1.1
211.13412	2.7
213.01952	0.6
213.05536	0.5
214.02693	1.0
215.03522	4.4
216.04036	0.7
223.07076	0.5
225.99361	0.5
227.03484	3.1
228.04199	0.7
229.01553	1.1
229.05046	6.4
229.14464	1.2
230.02222	1.6
231.02950	1.1
242.02138	0.8
243.02974	3.9
249.74556	0.6
253.05037	0.8
255.02997	1.3
256.03552	1.2
257.04620	0.8
258.01678	56.4
259.02448	61.4
260.02853	4.4
271.02475	31.7
272.03217	20.7
273.03995	13.1
274.04456	1.4
275.02029	1.4
283.02484	3.5
285.04056	8.0
286.04330	0.7
287.02045	0.9
298.01263	1.4
299.02036	1.0
301.03555	100.0
302.03903	10.2
304.02237	3.1
313.03531	10.1
314.00613	1.4
314.03943	1.0
315.01483	6.2
315.04959	0.8
316.01718	0.9
327.05219	0.6
329.02979	0.7
331.04611	74.8
331.17581	5.5
332.04950	8.2
332.18121	0.6
337.03522	0.7
337.09073	0.5
341.06720	1.6
343.04663	0.7
355.04672	1.4
359.07739	1.3
361.05429	0.6
373.05789	3.5
391.06708	72.5
391.19781	1.8
392.07092	9.8
392.20306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.067
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01377	5.0
61.98817	0.4
67.01910	0.3
69.53590	2.9
71.01362	0.7
75.08426	0.3
89.02438	0.6
95.01376	0.6
96.34947	0.3
101.02438	0.4
109.02938	0.7
113.72545	0.3
113.93167	0.3
121.02948	0.6
123.00907	0.8
123.04567	0.4
125.02444	1.5
131.05019	0.4
138.06786	0.3
145.06584	0.3
149.02463	2.8
149.99571	0.4
151.00377	1.5
157.06602	0.3
158.03726	0.6
159.04498	1.1
161.02409	0.4
161.06105	0.4
169.01436	0.7
170.03784	0.3
171.04462	0.4
173.06085	0.9
183.04507	0.5
185.06058	0.7
187.04016	1.2
189.05608	0.4
199.03999	1.2
201.05542	0.7
203.03505	0.6
205.05072	0.9
211.03999	0.6
214.02710	0.8
215.03537	1.3
225.01961	0.7
226.02678	0.5
227.03464	2.1
229.05048	1.9
233.04520	0.6
241.05115	0.6
243.03014	2.4
253.01471	0.9
255.02924	0.4
258.01688	8.7
259.02377	4.4
260.02902	0.5
271.02472	23.5
272.03128	6.1
273.04034	33.0
274.04385	2.9
283.02512	0.7
285.00839	0.6
285.04041	11.3
286.04306	1.1
293.04681	0.4
298.01282	0.7
299.01907	1.1
299.05203	0.4
301.03549	100.0
302.03876	10.6
302.06497	0.3
304.02087	0.4
313.03558	3.2
314.03781	0.4
315.05261	0.6
331.04593	22.3
331.17584	0.4
332.05038	2.5
337.03488	2.0
343.04605	1.9
355.04495	3.4
356.05228	0.3
373.05707	2.1
374.06238	0.4
391.06723	12.1
392.07132	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	391.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.0
61.98830	6.9
71.04887	2.0
71.20182	0.6
77.21797	0.6
89.02480	0.9
106.67690	0.8
109.02958	2.2
125.02415	0.8
151.00365	2.5
161.02399	0.9
163.00424	1.2
174.03322	0.8
177.01868	1.0
179.03363	0.7
185.34705	0.7
187.03998	1.1
191.05556	0.8
200.69531	0.7
215.03508	1.7
227.03452	1.5
229.05011	1.4
229.10762	2.1
230.02200	1.1
231.03047	0.9
241.05241	0.9
243.02991	1.3
258.01678	50.3
259.02417	37.1
260.02808	3.7
271.02469	23.4
272.03226	18.3
273.04037	11.5
283.22284	0.7
285.03934	4.7
286.04266	0.8
298.01187	1.8
299.01755	1.0
301.03555	100.0
302.03903	9.6
304.02377	2.7
313.03595	8.9
331.04611	65.4
332.04944	6.9
343.04413	1.0
355.04590	1.2
373.05701	1.3
391.06735	62.0
392.07101	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	391.0672
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01378	4.5
61.98836	0.5
69.47722	3.7
71.01382	0.8
95.01377	0.4
107.01406	0.5
108.02192	1.0
109.02983	1.8
119.03458	0.4
125.02426	1.1
125.55501	0.4
151.00377	2.6
159.04506	0.6
161.02489	1.1
163.00310	0.5
163.03987	0.4
171.04533	0.7
173.02519	0.4
174.03264	0.9
177.01927	0.5
186.03078	0.5
187.04036	1.5
190.99994	0.5
191.03503	0.7
195.09843	0.4
199.04039	0.7
202.02684	0.6
203.03514	1.2
205.01508	0.6
213.01895	0.8
214.02730	0.9
215.03520	3.6
216.04329	0.6
217.01375	0.7
224.58003	0.4
227.03554	1.9
229.01450	0.5
229.05106	2.3
229.10779	0.9
229.14465	1.5
230.02206	1.1
231.02939	0.8
241.05061	0.4
243.02998	1.6
244.03625	0.6
255.03001	0.5
257.04672	0.6
258.01685	49.2
259.02441	51.9
260.02786	4.4
271.02469	27.3
272.03217	17.9
273.03995	12.2
274.04446	1.1
283.02417	1.0
285.00873	0.5
285.04065	6.5
286.04434	0.7
298.01224	1.7
299.01941	1.3
300.02606	0.4
301.03546	100.0
302.03894	11.1
304.02246	2.4
313.03549	9.5
314.03897	1.1
327.05493	0.7
329.02957	0.6
331.04602	66.2
332.04984	8.0
343.04535	1.1
355.04630	1.8
361.05612	0.9
373.05704	2.5
391.06720	74.1
392.07025	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	391.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77713	0.3
59.01380	6.5
61.98834	0.5
66.96374	0.3
71.01398	0.5
77.58804	0.3
81.37027	0.3
86.20243	0.3
89.02477	0.5
101.02469	0.5
109.02973	0.7
113.02538	0.4
121.03017	0.4
122.34222	0.3
123.00911	1.2
125.02447	1.5
131.05092	0.4
143.05135	0.3
145.06613	0.6
149.02452	2.7
149.99585	0.7
151.00410	1.4
158.03751	0.7
159.04495	0.7
161.02492	0.4
161.06062	0.3
163.03935	0.4
169.01428	0.6
171.04514	0.6
173.02415	0.4
173.06133	0.7
175.00540	0.4
175.04012	0.4
183.04526	0.9
185.06154	0.7
186.03252	0.5
187.04034	1.5
191.03464	0.6
193.01419	0.4
195.04510	0.3
199.03998	1.0
201.05614	0.8
203.03477	0.5
205.05119	0.6
211.03929	0.5
214.02655	0.7
215.03531	1.3
225.01964	0.4
227.03535	2.3
228.03909	0.6
229.05104	1.8
229.37811	0.4
230.02318	0.4
231.03116	0.6
233.04469	0.4
243.02956	2.3
244.03456	0.4
253.01422	0.8
255.03055	0.4
256.03735	0.4
257.98923	0.4
258.01666	9.0
259.02380	5.3
271.02460	24.1
272.03122	6.0
273.04022	35.0
274.04373	3.2
283.02417	0.9
285.04053	12.1
286.04401	1.1
298.01221	0.5
299.01926	1.5
299.05283	0.6
301.03534	100.0
302.03882	8.6
304.02258	0.4
313.03513	3.5
314.03909	0.4
315.05331	0.7
331.04593	22.1
331.17563	0.6
332.04932	2.4
337.03506	2.3
337.15689	0.3
338.03702	0.4
338.14374	0.3
343.04486	1.6
355.04514	3.4
373.05719	1.6
374.06161	0.3
391.06683	11.7
392.07074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45477	0.2
59.01388	1.3
60.50255	0.2
61.98834	100.0
62.98538	0.2
70.46956	0.4
70.47343	0.5
88.45841	0.2
88.91609	0.2
88.98831	0.5
102.65650	0.2
103.90790	0.2
111.04528	0.5
169.65721	0.2
206.40245	0.2
232.25244	0.2
249.48866	0.2
267.68011	0.2
301.03619	0.4
331.04373	0.2
391.06628	0.5
391.17471	0.4
391.21671	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03010	0.7
52.90981	0.6
57.03448	0.7
59.01382	11.0
60.99311	13.6
61.98835	1.4
63.96239	2.6
71.01391	2.2
71.72340	0.7
71.72756	0.9
71.73118	0.8
75.36908	0.6
83.01420	1.0
85.02985	1.0
88.98816	100.0
89.02448	1.0
89.99165	1.4
107.01412	1.3
111.04530	1.9
113.02466	0.8
121.03008	1.3
125.02471	3.2
151.00372	3.6
154.66618	0.8
170.05144	0.8
178.99892	1.4
179.10814	0.8
181.08604	1.1
183.13890	1.0
184.14310	1.1
227.12961	1.5
228.13208	1.8
230.02274	1.1
258.01666	2.9
259.02420	2.0
283.02457	8.7
284.02866	1.0
299.01965	2.4
301.03574	8.2
322.14273	2.1
391.06525	6.6
391.11130	0.8
391.16898	6.0
391.21967	7.3
392.17691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98833	100.0
62.98541	0.3
69.03400	0.3
69.71891	1.1
69.72314	1.0
71.01395	0.5
85.02956	0.5
89.02479	0.6
93.03480	0.5
94.64891	0.3
96.96032	1.2
99.92629	0.6
101.02472	0.3
112.21315	0.3
135.04536	5.4
136.04842	1.5
168.02994	1.4
173.04588	0.7
179.03568	1.5
180.03876	0.7
185.06128	0.8
185.08127	0.4
191.05626	4.3
192.06027	1.3
217.96883	0.3
218.97687	1.1
262.96533	2.1
270.13269	0.3
353.08789	1.6
354.09332	1.2
391.01413	1.3
391.06149	0.6
391.11209	0.5
391.16309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03442	0.2
59.01380	17.0
61.98833	100.0
62.98555	0.3
65.00330	0.4
71.01389	3.4
71.12914	0.2
71.72490	0.5
72.01743	0.3
73.02955	0.6
73.67283	0.2
83.01411	0.4
85.02976	1.3
87.00896	0.2
89.02465	2.4
95.01388	0.5
96.90148	0.2
99.00907	0.3
101.02463	2.7
105.71188	0.2
107.01427	0.3
109.03027	0.3
111.04564	0.4
113.02438	1.2
114.03568	0.3
119.03535	0.7
119.05098	0.3
121.02967	0.3
125.02480	0.9
131.05035	0.2
137.02452	0.3
142.18929	0.2
143.03558	0.4
145.03033	0.4
145.51994	0.2
147.04578	0.4
151.00410	0.5
159.03067	0.3
161.02480	0.6
161.04593	1.5
163.04051	0.6
165.09349	0.4
166.09579	0.3
167.14420	1.8
168.10231	0.3
174.03192	1.3
175.04053	0.7
176.01186	0.4
176.04533	0.5
177.01942	0.6
179.03539	0.4
179.05582	0.3
181.04883	0.2
187.13431	1.0
189.02019	0.3
190.06203	0.4
191.07115	0.5
192.07556	0.3
194.05606	0.5
195.06432	0.3
197.11844	0.7
202.02837	0.4
205.01363	0.3
205.08702	0.6
206.09196	0.4
207.06555	0.2
211.13449	2.1
213.02036	0.4
219.03046	0.6
229.14429	10.1
230.02278	0.7
241.01521	0.5
241.05121	0.6
243.02834	0.2
255.06776	0.3
257.01038	0.7
257.08218	0.5
258.01709	7.9
259.02472	5.0
259.99548	0.4
261.00497	0.6
271.02573	0.9
271.15503	0.5
272.03128	0.3
273.04135	0.5
274.01352	0.3
283.06177	0.5
285.04233	0.3
301.03540	1.7
311.05838	0.9
327.05142	0.3
329.06714	0.5
331.04803	0.8
331.17725	3.8
349.18811	0.7
373.05603	4.1
386.84491	0.2
390.09058	0.3
390.15875	1.4
390.20862	0.3
390.25552	0.3
391.06717	13.8
391.20013	2.6
391.27267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03442	0.2
59.01380	17.0
61.98833	100.0
62.98555	0.3
65.00330	0.4
71.01389	3.4
71.12914	0.2
71.72490	0.5
72.01743	0.3
73.02955	0.6
73.67283	0.2
83.01411	0.4
85.02976	1.3
87.00896	0.2
89.02465	2.4
95.01388	0.5
96.90148	0.2
99.00907	0.3
101.02463	2.7
105.71188	0.2
107.01427	0.3
109.03027	0.3
111.04564	0.4
113.02438	1.2
114.03568	0.3
119.03535	0.7
119.05098	0.3
121.02967	0.3
125.02480	0.9
131.05035	0.2
137.02452	0.3
142.18929	0.2
143.03558	0.4
145.03033	0.4
145.51994	0.2
147.04578	0.4
151.00410	0.5
159.03067	0.3
161.02480	0.6
161.04593	1.5
163.04051	0.6
165.09349	0.4
166.09579	0.3
167.14420	1.8
168.10231	0.3
174.03192	1.3
175.04053	0.7
176.01186	0.4
176.04533	0.5
177.01942	0.6
179.03539	0.4
179.05582	0.3
181.04883	0.2
187.13431	1.0
189.02019	0.3
190.06203	0.4
191.07115	0.5
192.07556	0.3
194.05606	0.5
195.06432	0.3
197.11844	0.7
202.02837	0.4
205.01363	0.3
205.08702	0.6
206.09196	0.4
207.06555	0.2
211.13449	2.1
213.02036	0.4
219.03046	0.6
229.14429	10.1
230.02278	0.7
241.01521	0.5
241.05121	0.6
243.02834	0.2
255.06776	0.3
257.01038	0.7
257.08218	0.5
258.01709	7.9
259.02472	5.0
259.99548	0.4
261.00497	0.6
271.02573	0.9
271.15503	0.5
272.03128	0.3
273.04135	0.5
274.01352	0.3
283.06177	0.5
285.04233	0.3
301.03540	1.7
311.05838	0.9
327.05142	0.3
329.06714	0.5
331.04803	0.8
331.17725	3.8
349.18811	0.7
373.05603	4.1
386.84491	0.2
390.09058	0.3
390.15875	1.4
390.20862	0.3
390.25552	0.3
391.06717	13.8
391.20013	2.6
391.27267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03452	0.3
59.01375	2.4
59.96696	0.2
61.98834	100.0
62.98555	0.3
69.49371	1.5
69.49784	0.4
71.04993	0.2
77.53439	0.2
83.01419	0.2
83.05031	0.4
85.03004	0.5
88.98846	0.4
95.05057	0.3
97.06557	0.2
99.08162	0.2
101.02481	0.3
107.05112	0.3
109.03033	0.2
109.06677	0.2
111.04545	2.6
113.06088	0.3
123.04659	0.2
125.02506	0.4
125.06113	0.6
134.03763	0.7
135.04549	13.5
136.04909	0.8
137.02435	0.3
139.04088	0.5
149.06075	0.2
151.00447	0.6
153.01978	0.6
153.09140	0.3
163.04144	0.3
165.05617	0.2
166.02731	0.3
167.03564	0.8
167.10818	0.3
168.04356	0.7
179.03525	23.4
180.03848	1.1
181.05132	0.5
181.08813	0.4
197.08218	0.5
206.09317	0.2
209.04701	0.6
217.96823	0.2
258.01819	0.6
259.02515	0.3
259.09695	1.0
261.95749	0.5
264.10135	0.2
266.11731	0.6
274.00958	0.2
277.14514	0.4
283.02573	0.3
289.03094	0.3
295.15598	1.7
301.03632	0.4
301.07306	0.4
315.15771	0.2
322.14246	7.1
333.16946	0.9
335.18607	1.8
373.20181	0.3
374.22617	0.2
389.19968	0.8
390.00568	0.2
390.09286	0.3
390.19931	3.2
391.06708	0.4
391.17783	0.5
391.21387	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	390.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52897	0.3
52.84431	0.3
53.38355	0.3
57.03422	0.6
59.01375	1.8
61.98832	100.0
71.05064	0.3
83.48875	0.3
85.02959	1.8
85.06609	0.3
87.00889	0.8
95.05081	0.9
96.19407	0.3
111.04514	2.3
113.02482	0.7
123.00908	0.4
125.06102	0.9
137.02428	0.3
141.01984	1.5
141.05556	0.3
153.09239	0.5
167.03505	0.3
169.04968	0.5
169.08672	0.5
181.05118	0.6
181.08759	0.7
183.06628	5.2
195.06735	0.4
211.06099	3.4
227.03552	1.0
228.04269	1.0
242.02261	1.5
247.13441	0.4
255.03047	1.0
256.03735	4.0
257.04553	3.0
265.14429	0.4
277.14468	0.7
279.03012	1.0
291.06610	0.8
291.19687	0.3
293.04544	0.4
294.05350	0.6
309.07648	3.3
310.08105	0.5
322.14218	0.8
327.08713	12.1
328.09195	0.9
346.20996	0.5
390.20038	2.1
391.17569	6.2
391.21494	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	390.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03447	2.8
59.01384	3.5
61.98832	100.0
64.40494	0.4
68.99812	0.5
70.48313	0.4
71.01387	1.5
71.05016	0.5
71.48351	0.9
71.48698	0.7
73.02954	1.6
83.05051	0.5
85.02963	9.4
85.06593	0.6
86.03317	0.9
87.00895	3.8
87.04527	0.7
95.05045	3.4
97.02975	1.1
97.06593	0.6
99.04534	0.4
101.02449	0.5
109.02976	0.5
109.06642	0.9
111.04534	12.9
111.08186	1.3
111.95119	0.5
113.02491	2.1
113.06091	2.5
123.00925	1.9
123.08179	1.0
125.02476	0.9
125.06107	1.3
127.07697	1.0
135.08182	0.5
137.02469	1.2
139.07707	0.6
141.01968	9.3
141.05641	2.0
149.06166	0.5
149.09706	0.5
153.09250	2.1
155.07176	2.0
165.01953	0.7
167.03528	1.2
167.07214	0.7
169.05096	2.0
169.08727	4.0
170.09053	1.7
179.07253	0.7
181.05086	2.5
183.06639	26.3
192.85735	0.4
193.12364	0.5
195.06670	2.3
197.08043	0.6
203.14507	0.6
211.06143	18.3
211.08113	1.0
214.04811	1.8
223.06175	0.6
237.07719	0.6
237.15031	1.0
247.13472	1.1
263.12772	0.7
265.14481	1.2
269.04593	2.8
277.14417	3.3
279.12448	0.8
280.50308	0.4
291.19693	2.1
303.16147	0.5
305.13947	1.0
309.07758	1.0
317.17569	1.4
321.17111	0.6
322.14252	3.0
327.08768	9.4
328.09186	1.2
331.19159	2.1
334.21051	0.6
349.16660	2.0
373.20297	1.7
389.19974	1.3
390.20041	5.8
390.24326	0.6
391.10391	0.9
391.17548	20.3
391.21457	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03441	1.9
59.01384	3.9
61.98832	27.5
62.70674	0.5
63.24471	0.6
68.99815	1.5
69.03452	1.1
70.61197	0.5
71.01387	0.6
71.29417	1.1
71.29778	0.7
73.02924	0.7
76.17217	0.6
79.01827	0.5
80.30198	0.5
81.03461	0.7
83.01388	0.6
85.02972	6.6
85.06594	1.0
87.00893	3.1
87.04527	1.4
95.01391	0.5
95.05054	4.2
97.02959	1.0
97.70103	0.6
99.00914	0.9
109.06621	0.6
111.00877	0.6
111.04535	18.5
113.02459	3.4
113.06113	1.8
123.00896	2.5
123.04585	0.7
123.08186	1.1
125.02505	1.2
125.06091	4.1
137.02499	1.3
137.09749	2.3
139.04015	0.7
141.01962	13.5
141.05582	0.8
147.11743	0.7
149.02545	0.9
151.04039	0.5
151.07654	0.6
151.11330	0.6
153.02080	0.7
155.07164	1.9
155.54332	0.5
165.05544	0.7
167.03560	1.8
167.07190	1.1
169.05087	2.5
169.08670	0.8
177.01855	0.7
179.07086	0.9
181.05116	4.6
183.06650	32.8
191.07188	0.7
193.05150	1.0
195.06697	2.8
207.06581	0.6
209.60854	0.6
210.05469	1.1
211.06137	27.6
214.04811	2.7
223.06088	0.9
227.03590	1.0
237.07680	1.2
243.03038	1.8
247.13425	2.4
253.01523	0.9
258.01682	6.1
259.02240	1.0
265.14474	3.0
271.02484	13.7
272.03122	7.2
279.12357	0.7
283.02493	9.8
284.03290	2.8
303.15930	1.5
304.02307	2.1
321.17154	1.0
326.07037	0.7
327.08746	100.0
328.09103	10.3
329.21271	0.9
331.19073	0.6
347.22189	1.0
349.16525	4.9
389.19864	0.9
390.20038	1.8
391.17563	51.1
391.21533	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	390.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76937	1.8
57.03426	2.2
59.01362	5.0
61.98831	4.2
69.55517	14.2
69.55929	3.3
71.01382	1.8
73.02991	1.4
82.82190	1.7
83.01402	1.7
85.02450	1.7
85.02960	33.3
86.40393	1.7
87.00885	30.7
99.08167	6.0
101.02423	2.2
101.06094	6.4
105.07806	1.6
109.47956	1.8
111.00880	2.9
111.04537	5.5
112.04101	1.8
125.02457	6.4
125.06091	13.6
127.07647	7.6
138.06879	2.9
141.01944	1.8
152.56715	1.6
153.09367	1.9
158.76517	2.0
167.03510	3.8
169.08731	41.7
181.05112	13.2
191.07135	3.6
196.09755	10.1
207.13908	2.0
209.08211	38.1
211.06094	4.7
221.15453	2.7
227.09224	5.8
233.11734	2.5
235.22189	2.0
236.09441	3.0
237.15063	2.2
244.03767	2.8
258.01669	5.9
265.14380	4.8
271.02411	4.0
272.03204	3.8
277.14270	3.7
283.02460	25.2
284.02988	3.3
289.14539	4.1
291.19720	9.2
303.15955	5.9
303.19315	3.0
322.14218	4.7
327.08740	100.0
328.09048	9.0
331.19193	5.7
373.20197	5.1
390.23236	34.3
391.17371	14.2
391.21304	49.4
396.72012	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	389.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21531	0.2
55.01879	3.4
57.03447	4.0
58.00596	4.5
59.01381	100.0
60.01713	0.8
61.98833	1.6
64.63006	0.2
68.99821	0.4
69.03469	0.4
70.29303	0.5
70.29708	0.9
71.01388	86.0
72.01394	0.2
72.01726	1.5
72.99313	5.4
73.02953	12.6
74.03320	0.2
75.00874	0.8
77.66531	0.2
81.03470	0.3
83.01398	7.3
84.02192	0.3
85.02960	23.8
86.03323	0.6
87.00889	4.3
89.02455	71.7
90.02802	1.4
95.01398	5.5
97.02985	1.3
99.00900	4.7
101.02457	60.1
102.02789	1.6
102.66470	0.2
111.00909	0.5
113.02465	34.9
114.02806	1.1
119.03521	32.2
120.03875	0.8
121.02972	0.5
125.02493	1.4
129.01985	0.8
131.03516	3.5
143.03522	7.9
144.03891	0.4
149.04564	2.4
159.03001	4.1
159.04288	0.4
161.04578	34.8
162.04924	1.4
179.05634	11.2
180.05957	0.5
187.04057	0.4
205.03514	0.8
209.15471	1.9
215.03767	0.3
227.16547	9.6
228.16879	0.9
243.02875	0.3
258.01651	0.4
259.02466	3.5
260.02765	0.3
271.02432	0.5
286.01266	0.3
287.01950	0.4
303.01566	1.8
327.08609	0.4
389.05215	1.5
389.21835	42.1
390.05408	0.4
390.22217	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	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03445	3.0
58.00591	4.2
58.50455	0.2
59.01380	100.0
60.01712	1.1
60.52167	0.2
60.99313	0.3
61.98819	0.2
69.03446	0.7
71.01385	84.2
71.72146	0.4
71.72523	0.3
72.01725	1.5
72.99311	4.7
72.99716	0.3
73.02953	11.8
75.00871	0.8
75.09930	0.2
81.03465	0.4
83.01396	7.0
84.02190	0.4
85.02960	23.9
86.03307	0.6
87.00883	4.3
89.02454	75.4
90.02782	1.5
95.00797	0.4
95.01399	5.7
95.88741	0.2
97.02966	1.0
99.00897	5.2
101.02455	62.1
102.02775	1.3
105.67876	0.2
107.03523	0.2
111.00899	0.5
113.02464	36.2
114.02110	0.2
114.02811	1.1
119.03519	34.6
120.03839	0.6
120.99701	0.3
125.02448	1.4
129.01955	0.9
131.03516	3.5
137.09706	0.3
143.03514	7.8
143.05121	0.4
144.03864	0.3
149.04578	2.9
150.03258	0.4
159.03008	5.1
161.04578	36.0
162.04897	1.2
162.10269	0.2
165.05649	0.4
165.12846	0.6
179.05627	13.5
179.14517	0.3
185.06163	0.3
191.05571	0.3
205.03503	1.0
209.15436	1.5
225.14842	0.3
227.07147	4.3
227.14252	0.5
227.16533	9.5
228.07431	0.6
228.16849	0.8
309.09396	0.3
341.10754	0.3
389.21829	40.0
390.22189	5.6
397.21603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.9
59.01382	2.2
65.00319	0.7
67.22826	0.3
69.03441	0.8
69.40000	2.0
69.40437	1.8
71.01387	0.4
78.15498	0.3
81.03490	0.5
83.01406	0.5
83.05047	1.7
85.02963	5.4
93.03471	1.5
95.01405	0.6
95.05051	1.0
97.02928	1.0
98.19878	0.7
99.04550	0.5
99.08173	4.2
99.67250	0.4
101.06087	1.3
107.05053	0.6
109.02975	0.5
109.06594	0.7
111.00890	1.4
111.04525	6.1
121.06627	0.5
123.00895	0.8
123.04544	0.6
123.08153	1.0
124.01640	0.5
125.02304	0.3
125.06110	12.9
125.09746	3.9
126.06429	0.4
127.07648	0.4
133.06612	2.8
135.04524	1.0
135.08208	0.6
136.05281	1.1
137.09688	0.4
138.03191	0.4
147.08160	1.0
149.09689	0.7
151.07681	2.0
151.11261	1.4
153.09264	0.4
159.08200	0.4
162.03296	0.4
163.11258	1.3
165.01918	1.3
165.09210	1.2
165.82608	0.4
167.10741	0.7
169.08739	1.7
171.08148	0.7
173.09743	3.9
175.07634	0.8
175.11349	0.7
177.09216	5.2
178.09779	0.5
179.07149	0.7
179.10771	1.3
185.09688	1.3
188.83199	0.3
189.02016	0.4
189.09204	0.7
189.12906	0.5
190.02632	0.7
191.10812	2.0
193.08669	0.5
193.12338	0.7
195.06638	9.0
195.10213	1.3
201.09148	0.5
201.12881	2.4
202.09882	0.3
203.10757	0.5
205.08702	2.9
205.16048	0.6
206.09203	0.4
207.06458	0.5
207.10187	0.4
208.07408	0.8
212.06792	0.7
213.09134	0.5
215.14258	0.4
217.12276	0.5
219.10207	1.0
219.13872	1.0
220.11005	0.7
221.08195	0.9
229.12216	0.5
231.06570	0.7
231.13824	0.4
231.17392	0.4
232.12349	0.4
233.08107	0.5
233.15472	0.6
241.12325	1.0
243.13916	2.0
245.11839	0.7
249.35300	0.3
255.13847	0.7
256.14709	1.0
257.15451	4.1
259.13339	1.3
261.14966	3.7
263.12863	4.0
269.15536	0.9
270.16058	0.7
273.11279	0.7
274.15762	2.0
275.16379	0.5
277.18042	0.5
285.18732	2.0
286.19061	0.7
303.19635	1.2
305.13873	0.6
309.18408	0.6
312.17480	0.4
313.14435	0.5
319.18991	0.9
327.19629	6.4
328.19861	0.8
345.20697	25.8
346.20972	3.5
347.18643	27.4
361.20145	1.4
371.18521	0.6
389.19653	100.0
390.20068	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.1
57.03450	3.7
58.03769	0.1
59.01382	0.4
68.99821	1.7
69.03458	0.8
71.05025	0.6
73.02959	0.1
77.19760	0.1
78.26598	0.1
79.01894	0.1
79.05515	0.1
80.02673	0.1
81.03465	0.4
81.07096	1.1
83.01379	0.1
83.05041	0.4
85.02959	0.1
93.86260	0.1
95.01379	0.1
95.05050	0.2
96.02209	0.1
97.02946	0.4
97.06598	0.2
99.08171	1.8
100.08452	0.1
101.06079	0.6
107.05026	0.3
109.02950	0.2
109.06602	4.0
110.06898	0.1
111.00874	0.2
111.04546	0.4
121.06673	0.3
122.03722	0.1
123.04609	0.4
123.08148	0.2
125.06102	100.0
126.06439	3.9
127.07643	0.5
128.01135	0.1
133.06624	0.2
135.04556	0.2
135.08118	0.3
136.05318	0.1
137.02446	0.1
137.06096	0.2
137.09743	5.0
138.10040	0.3
142.02705	0.1
145.06621	0.1
147.08170	0.2
149.02420	0.1
149.06088	0.2
149.09718	0.4
150.03267	0.1
151.00334	0.2
151.03947	0.2
151.07664	0.3
152.04863	0.1
153.09218	0.2
161.06032	0.1
161.09760	0.2
163.03952	0.1
163.07689	0.1
164.04790	0.1
164.08443	0.1
165.05524	0.3
165.09242	0.3
166.02655	0.1
173.05942	0.1
173.09666	0.1
175.07660	0.2
177.05550	0.1
177.09235	0.1
177.12825	0.1
178.06258	0.1
178.10190	0.1
179.03561	0.1
179.07169	0.1
179.10794	0.3
181.08704	0.5
185.09694	0.1
187.07562	0.1
188.08325	0.1
189.09305	0.2
191.07137	0.2
191.10817	0.3
192.07950	0.1
193.08664	0.2
193.12350	0.4
195.06685	0.1
195.10364	0.1
197.08186	0.1
201.12863	0.4
203.10753	0.4
205.08737	0.2
205.12331	0.3
206.09430	0.1
207.10297	0.8
208.07353	0.1
208.10606	0.1
209.04691	0.1
209.08202	1.3
209.11758	0.2
217.08781	0.1
217.12367	0.3
218.13020	0.1
219.06566	0.2
219.10321	0.1
219.13927	0.7
220.10995	0.1
220.13982	0.1
221.08247	0.1
221.11827	0.9
222.12154	0.1
223.09683	0.2
225.07779	0.1
229.12337	0.1
230.12917	0.1
233.08229	0.2
233.15491	0.1
235.09816	0.7
235.13341	0.1
243.13979	0.1
245.11844	0.4
245.15399	0.2
246.12537	0.1
247.09769	0.2
249.11316	0.8
250.11635	0.1
255.13782	0.1
257.15402	0.1
261.11264	0.2
261.14914	0.8
263.12872	3.3
264.13177	0.3
269.15591	0.1
273.14771	0.1
275.13196	0.1
275.16504	1.1
276.13306	0.2
276.16760	0.1
277.10608	0.2
277.13449	0.2
278.11572	0.1
282.26688	0.1
285.18616	0.5
286.18851	0.1
287.13144	0.1
287.16434	0.7
289.18036	0.2
303.19656	5.0
304.12790	0.2
304.19962	0.6
305.13342	0.6
305.17316	0.1
315.16077	0.1
327.19635	0.6
328.19928	0.1
329.17386	0.1
331.15475	0.3
333.16998	0.3
345.20715	6.3
346.20999	0.9
347.18597	0.3
361.20169	0.2
371.18323	0.3
372.18777	0.1
389.19669	52.2
390.20032	8.0
392.04984	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	389.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03183	0.7
57.03449	8.7
59.01390	4.7
68.99806	1.5
69.03451	0.9
71.05017	2.3
71.62595	1.0
79.01919	1.4
81.03451	1.6
83.05029	1.6
85.02959	16.1
85.06596	0.7
87.00866	1.3
95.01332	0.5
95.05035	1.4
95.73088	0.5
97.02947	1.6
98.03783	0.8
99.08186	2.9
101.06095	5.1
107.05031	1.7
109.03001	0.7
109.06610	3.8
110.68700	0.5
111.00795	0.5
111.04533	1.0
119.08640	1.0
121.06584	1.6
123.04525	1.6
123.08091	0.6
124.05338	3.3
125.02518	3.4
125.05215	1.0
125.06105	18.4
125.09692	0.8
126.06369	0.8
127.07719	3.4
133.06607	1.0
135.04550	1.0
135.08188	1.3
136.05318	0.8
137.06102	2.7
137.09743	21.0
138.10075	0.8
139.03993	0.9
139.07660	4.7
140.01128	0.5
141.01982	0.9
149.02386	0.7
149.06075	1.1
149.09702	0.5
150.92287	0.5
151.00348	0.7
151.03998	1.8
151.07632	1.1
152.04823	1.0
153.01952	0.9
153.09213	3.2
161.09737	0.6
163.04088	0.7
163.07640	0.7
164.08353	0.9
165.05545	0.7
165.09233	4.7
166.09560	0.7
168.00659	0.7
168.64780	0.5
169.08733	11.7
177.05595	1.3
177.09201	1.2
179.07158	0.9
179.10852	3.1
180.04330	1.2
181.05167	0.8
181.08710	2.8
189.09267	0.9
191.07117	2.2
191.10745	0.8
193.08623	1.4
195.06630	1.3
195.10303	5.0
197.08153	0.5
201.12819	0.7
205.05058	0.6
205.08719	1.6
206.05710	0.6
206.09453	2.0
207.10269	2.6
209.08206	40.5
210.08827	0.5
217.08534	0.8
219.06755	0.9
219.13928	0.6
220.11055	4.1
221.08176	1.3
223.09753	4.9
225.07632	2.1
228.06384	1.5
233.08243	0.8
235.09755	10.6
236.10124	1.2
237.07574	0.8
243.13881	1.2
245.11899	0.7
247.09776	0.8
249.11348	3.8
261.11337	3.3
261.14969	3.4
262.11713	0.7
263.12766	1.8
289.18112	5.6
290.18304	0.7
305.13937	2.3
317.21222	1.2
327.19656	2.2
328.03925	0.6
329.21124	1.1
345.20718	28.3
346.21133	3.1
361.20181	7.5
362.20578	1.6
371.18753	1.5
376.05313	0.6
389.19626	100.0
390.20081	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06608	0.3
57.03447	2.3
59.01382	4.5
60.48127	0.3
61.98834	0.7
70.06088	2.0
71.01385	18.6
75.00877	0.4
83.05025	2.2
85.02965	4.0
86.03244	0.4
87.00908	0.6
94.90580	0.3
98.20553	0.4
99.08189	0.9
111.04550	0.6
121.06619	0.4
123.08188	5.4
125.06115	1.5
127.07684	0.7
135.04514	0.3
135.08189	1.3
143.97716	0.4
149.13393	0.7
151.11343	0.7
165.09219	0.7
169.08731	6.2
175.11296	1.1
191.10721	0.6
193.12355	100.0
194.12688	8.3
220.11081	0.5
237.11427	2.1
261.14944	0.9
277.10800	0.7
317.21225	13.1
318.21259	1.7
345.20773	2.0
361.20175	0.5
377.76099	0.4
389.19662	15.4
390.19925	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1969
Annotation	Denticulatolide
Peak:m/z	Relative Intensity
55.01881	0.6
57.03447	9.5
59.01379	2.4
59.98557	0.2
65.69778	0.3
68.30453	0.2
68.99826	0.7
69.03471	0.7
71.01399	0.5
71.05019	4.5
71.05385	0.3
71.30392	0.5
71.46426	0.3
72.05362	0.2
73.02946	0.2
79.05541	0.3
81.03451	0.4
83.01404	0.3
83.05031	1.0
85.02959	4.4
85.03438	0.3
87.00886	0.6
87.04511	3.0
93.03476	0.7
95.01371	1.0
95.05035	0.7
96.71390	0.2
97.02953	0.5
97.06556	0.2
98.03741	0.6
99.04533	3.0
99.08167	7.4
100.05317	2.6
100.08444	0.2
101.06090	5.6
105.07089	0.3
107.05045	0.5
109.02968	1.0
109.06629	1.1
111.00903	0.7
111.04507	1.5
113.02484	0.3
119.08697	0.4
121.02977	0.3
121.06595	0.7
122.03741	0.3
123.00915	1.0
123.04491	0.5
123.08177	2.0
124.01687	0.9
125.02488	0.5
125.06098	22.5
125.09737	7.1
126.06460	0.7
126.10095	0.3
127.07668	7.3
128.08499	0.5
129.09239	8.7
129.10187	0.5
130.09483	0.3
131.08655	0.3
133.06616	0.8
133.10272	0.2
135.04532	0.9
135.08170	1.2
136.05292	0.7
137.02481	0.8
137.06113	0.4
137.09720	1.2
138.03249	0.2
138.06970	0.2
139.07645	0.4
141.09236	3.2
145.06644	0.3
147.08206	0.8
147.11809	0.5
149.06126	0.2
149.09750	1.0
150.03256	0.4
151.00388	0.4
151.04045	0.3
151.07666	2.0
151.11292	2.1
152.04840	0.4
153.05641	0.9
153.09233	2.6
157.06664	0.3
159.08171	0.3
161.09727	0.3
161.71423	0.2
163.04028	0.3
163.07611	0.2
163.11369	1.0
164.08435	0.3
165.02008	0.5
165.05614	0.6
165.09193	0.8
165.12859	5.6
166.13219	0.3
167.10829	0.6
167.54759	0.2
169.08705	2.7
171.08173	0.8
173.06190	0.3
173.09720	2.5
175.07687	0.4
175.11296	0.6
177.09219	4.8
178.09692	0.6
179.03519	1.3
179.07108	1.3
179.10771	1.5
179.14522	0.2
180.04295	0.5
180.07872	0.6
181.08751	0.5
184.03703	0.4
185.09732	0.8
189.09239	0.5
189.12906	0.5
191.07132	0.3
191.10788	2.0
191.14522	0.4
192.11148	0.2
193.05055	0.4
193.08701	0.3
193.12361	0.8
195.06628	12.4
195.10258	1.2
195.13936	0.5
196.06972	0.8
197.08205	0.8
197.15480	22.1
198.15808	1.6
200.08307	0.3
201.12881	1.7
202.10104	0.3
202.13358	0.3
203.07176	0.3
203.10832	0.6
205.08711	2.7
205.12369	0.5
205.16010	1.1
206.09323	0.7
207.06650	1.0
207.10213	1.3
208.07405	1.9
209.08269	0.7
209.11835	9.2
210.12193	0.5
212.06844	1.0
215.14418	0.3
217.08722	0.3
217.12401	0.6
217.15868	0.3
218.13194	0.3
219.10246	0.7
219.13855	1.1
220.11063	1.1
221.08185	1.3
223.09740	0.3
224.14223	0.7
227.10849	0.9
228.11560	0.7
229.12236	0.3
231.17513	0.9
233.15472	0.7
235.09787	0.3
241.12292	0.7
242.13074	0.7
243.13861	1.5
245.11823	0.5
254.13327	0.2
255.13942	1.1
256.14584	0.8
257.15442	4.2
258.15851	0.6
259.13324	1.2
261.14880	1.4
262.11655	0.3
263.12836	5.4
264.13245	0.3
267.12314	1.5
269.15451	1.0
270.16241	0.3
273.14771	0.3
274.15665	1.7
275.16400	0.4
275.20236	0.5
277.14606	0.5
283.20673	0.3
285.18616	2.7
287.12970	0.3
297.14819	0.3
299.20242	0.3
301.17999	0.3
301.21786	0.4
303.19827	1.1
305.13876	0.7
309.18668	0.5
311.16211	0.3
312.17346	0.4
317.21136	0.4
319.11816	0.5
319.19125	0.8
327.19641	6.5
328.19894	1.2
329.17578	1.0
345.20715	26.2
346.21091	3.5
347.18640	31.8
348.18881	0.7
361.20093	1.4
371.18427	0.2
389.19681	100.0
390.20120	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	389.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28371	0.5
57.03455	6.5
58.23096	0.6
59.01387	3.9
64.87186	0.6
65.00332	0.6
65.94501	0.5
68.99835	0.9
69.03461	0.8
71.05027	2.9
71.73093	1.0
74.25188	0.5
79.70306	0.5
81.48479	0.6
81.67551	0.5
83.05029	0.9
85.02970	3.3
93.03496	0.6
95.01394	1.7
95.04984	0.7
97.03011	0.7
99.08184	6.4
101.06114	2.1
109.02958	0.9
109.06604	1.4
111.00886	0.8
111.04536	2.1
123.00886	0.9
123.08184	1.2
125.02476	1.2
125.06106	26.4
125.09721	5.2
126.06451	0.8
127.07711	1.0
133.06631	1.6
135.04550	1.0
135.08228	0.8
136.05295	1.0
137.02493	1.1
137.09740	2.0
139.03957	0.6
147.08224	1.3
149.06178	0.6
151.04089	0.7
151.07660	2.6
151.11288	1.6
153.05499	0.7
153.09230	0.8
162.03246	0.5
162.06900	0.7
165.05620	0.8
165.09218	0.9
167.10786	0.9
169.08774	2.8
173.09721	2.5
175.04265	0.7
177.05629	0.7
177.09235	5.6
179.07089	1.1
179.10811	1.7
185.09750	1.1
189.01955	0.6
189.12822	0.7
191.07135	0.7
191.10841	0.8
193.08701	3.0
195.06651	8.7
195.10301	1.2
196.06973	0.9
197.08287	0.8
201.12856	1.5
203.03644	0.6
205.05019	0.9
205.08717	2.7
206.09270	0.7
207.06706	0.8
208.07335	1.1
209.08250	3.4
212.06993	1.5
219.06685	1.2
219.10326	0.7
220.07507	1.3
221.08208	2.2
226.08522	1.4
228.11511	0.6
231.06541	0.9
231.17456	0.7
233.15599	1.0
237.07724	0.8
242.13139	0.7
243.13850	0.9
245.11836	0.7
247.09775	1.8
252.10124	1.1
255.13849	0.9
256.14722	0.8
257.15479	3.7
259.13324	1.3
261.14948	2.5
263.09296	0.7
263.12869	4.8
263.16516	0.8
269.15436	1.3
274.15695	1.4
285.18646	2.7
289.14404	2.5
299.20078	0.6
303.19601	1.0
319.15317	1.0
320.16290	1.0
327.19708	5.7
328.20023	0.9
329.17529	0.7
345.20724	22.3
345.24149	0.9
346.21045	2.7
347.18634	23.7
361.20178	1.4
371.18494	1.0
389.19647	100.0
389.23535	16.8
390.19833	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	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11784	0.3
55.01879	0.8
57.03446	0.3
59.01382	100.0
60.01721	0.9
60.79673	0.4
61.98836	10.2
62.30832	0.3
63.37944	0.3
71.01380	1.9
83.01423	0.4
85.02965	0.9
89.02454	0.7
99.04551	0.6
101.02464	1.2
102.45255	0.3
113.02493	2.1
119.03517	0.8
133.42596	0.3
134.91510	0.3
161.04585	1.4
167.10802	40.8
168.11143	2.5
188.82716	0.3
191.10750	0.7
191.95282	0.4
206.09589	0.4
209.11731	0.5
221.11752	0.4
231.27034	0.3
258.79962	0.3
300.18509	0.3
329.15915	0.5
389.19623	4.8
390.20135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.65860	0.3
57.03447	1.0
58.00577	0.5
59.01380	9.7
61.98827	1.0
69.03460	0.4
69.41241	2.7
69.41655	0.7
69.42641	0.2
69.45692	0.3
71.01386	6.5
71.11978	0.3
73.02956	0.9
74.40019	0.3
85.02953	2.0
89.02445	4.1
95.01393	0.7
97.06592	0.3
97.28629	0.3
101.02457	3.3
111.08181	1.9
113.02461	5.0
119.03524	1.1
130.41849	0.3
137.80130	0.3
143.03574	0.5
156.71715	0.3
161.04579	1.3
164.67166	0.3
165.12868	24.8
166.13246	1.7
167.14392	0.3
179.05647	1.4
181.12314	0.4
183.13919	72.5
184.14243	4.4
191.10786	0.4
197.15454	1.5
207.13914	2.1
209.11903	2.4
225.14990	1.1
227.03554	4.3
227.12895	100.0
228.13206	8.0
237.15138	0.4
241.14481	0.4
242.02191	1.0
251.12874	5.1
263.12964	0.5
269.13837	2.1
281.14011	0.4
293.13950	0.8
323.16003	0.3
329.16171	0.9
389.08664	0.7
389.18036	3.9
390.18628	0.4
399.43918	0.3
411.59357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67269	0.6
54.24482	0.5
57.03436	1.1
57.48489	0.5
59.01379	4.4
65.00301	1.1
67.79138	0.6
68.99813	1.2
69.89483	4.2
71.01319	0.7
71.05017	1.2
76.61974	0.6
83.62643	0.6
85.02943	1.8
97.02907	0.8
101.06068	1.5
109.02927	0.8
109.06650	0.6
110.00089	2.4
111.04496	1.1
121.06617	0.8
123.00855	0.8
123.08075	0.6
125.02428	1.3
125.06105	66.1
126.06416	2.3
133.06577	1.7
135.08157	1.2
137.06088	0.8
137.09750	3.3
139.00378	0.6
139.04044	0.8
149.05969	0.7
151.03870	0.6
151.07616	1.1
151.11334	0.7
153.09149	1.7
168.00610	1.6
169.08769	0.7
177.05540	1.1
178.06372	1.6
179.07153	1.6
179.10709	0.8
181.08658	0.8
187.07787	0.7
191.07152	0.9
191.10783	0.9
193.08650	2.2
195.06563	1.2
197.08269	4.0
201.12930	0.9
207.06766	0.7
207.10310	0.9
209.08202	1.4
223.09734	2.1
224.10524	0.6
235.09676	1.3
237.07611	1.9
245.11702	2.1
261.14804	2.0
263.12946	1.5
273.11234	0.6
305.14081	2.8
327.19504	1.1
329.21283	5.3
345.20697	3.0
347.18658	1.0
371.18521	1.2
383.84006	0.6
389.19556	100.0
389.23395	7.5
390.19962	15.1
390.24817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84257	0.2
57.03436	0.8
58.00592	0.4
59.01382	5.1
70.21757	0.5
70.22169	0.9
71.01392	3.2
72.99316	0.3
73.02940	0.6
73.32511	0.2
79.62844	0.2
83.05025	0.3
85.02948	1.4
87.00806	0.2
89.02447	2.6
95.01390	0.5
97.06602	0.2
98.19894	0.3
101.02461	1.6
111.08183	1.2
113.02454	3.1
119.03513	0.6
161.04558	0.5
165.12862	19.5
166.13181	1.4
167.14421	0.5
179.05585	0.5
181.12343	0.3
183.13916	73.9
184.14259	4.7
195.13933	0.3
197.15482	2.0
207.13925	1.6
209.11836	2.5
225.14967	1.4
227.03564	2.0
227.12897	100.0
228.13216	8.0
241.14481	0.4
251.12955	2.8
252.13126	0.3
269.13864	1.5
293.14148	0.6
329.16180	0.4
359.63116	0.2
378.09467	0.2
389.09485	0.5
389.18246	3.4
390.18790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
71.01370	1.1
71.71026	1.4
78.95884	0.8
83.48650	0.8
85.02969	5.6
87.00902	1.4
93.03467	2.1
95.04922	0.7
95.76127	0.6
96.97003	1.0
111.04539	1.0
111.38053	0.8
121.69809	0.7
123.21603	0.7
127.04014	2.3
135.04585	1.1
141.57957	0.8
143.04625	1.1
149.14214	0.8
161.02531	1.0
173.04587	1.4
179.05687	0.9
191.05644	100.0
192.05995	5.3
247.91803	0.8
272.08936	0.9
353.08813	10.3
354.09097	1.3
390.06943	0.7
390.10980	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	389.1245
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
59.01374	1.4
59.75288	0.2
66.33031	0.1
69.74820	1.2
71.01391	0.7
73.02954	0.2
85.02961	0.4
89.02444	0.4
93.03444	0.2
97.02962	0.2
98.19905	0.2
101.02447	0.6
107.01405	0.2
113.02455	0.5
117.03505	0.3
119.03532	0.2
119.05055	0.5
126.99476	0.2
141.07118	1.0
143.05042	6.9
144.05370	0.4
145.02940	0.4
157.06613	1.8
158.07002	0.2
159.08148	2.4
160.08464	0.2
161.04617	0.3
165.12863	1.2
167.05206	0.2
168.05830	0.3
181.06650	0.8
182.07387	1.0
183.08174	3.2
183.13911	3.3
184.05424	0.2
184.14287	0.2
185.06093	12.7
186.06425	0.7
209.08243	0.5
212.04645	0.2
225.05609	0.5
227.07143	100.0
227.12888	5.6
228.07469	8.8
228.13145	0.3
232.13501	0.2
243.02942	0.3
251.12888	0.2
269.13852	0.2
328.37119	0.2
371.13879	0.2
389.12671	0.6
390.12900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
57.59909	0.4
59.01087	1.0
59.01382	18.9
60.99303	0.6
61.98818	0.4
67.01904	2.7
69.03437	0.7
71.01391	5.3
73.02959	1.1
81.03457	0.6
83.05065	0.5
85.02956	7.5
87.00881	3.7
87.39723	0.5
89.02455	1.4
91.05492	0.4
93.03471	19.1
94.03815	0.6
99.00906	0.6
99.04540	0.4
101.02477	2.5
107.05042	1.9
109.02969	1.2
111.04519	3.8
113.02457	1.2
115.03957	0.5
119.03531	0.7
127.04044	2.2
133.02963	1.0
134.03796	1.0
135.04543	24.5
136.04897	0.9
137.02493	1.4
155.03491	1.9
161.02440	2.7
161.04396	0.5
166.02734	2.0
170.03711	1.5
173.04568	41.5
174.04906	1.9
179.03511	7.5
182.03729	1.3
183.04539	0.6
185.06027	0.5
191.05626	100.0
192.05980	5.2
198.03235	1.1
198.94893	0.4
214.97354	0.4
226.02707	1.6
227.03502	18.6
227.09363	0.5
228.03796	0.7
329.08856	1.0
353.08795	33.9
354.09116	4.2
389.06534	7.2
389.18155	24.0
390.06683	0.9
390.18527	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	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73554	0.3
56.67168	0.3
59.01376	1.3
61.98833	100.0
69.37609	0.7
69.38027	2.7
71.01396	0.5
72.76224	0.3
85.02964	0.8
87.00858	0.4
89.02450	0.3
93.03477	0.8
107.05059	1.0
109.43643	0.3
111.04563	0.7
115.57278	0.3
125.02510	0.4
133.02913	0.4
134.03738	0.4
135.04546	29.0
155.03534	0.6
165.05644	0.5
165.90639	0.3
166.05913	0.6
173.04585	2.6
179.03520	9.5
191.05652	7.0
268.09134	0.5
353.08823	9.2
354.79276	0.3
371.82071	0.3
389.06375	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	389.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.99318	0.4
61.98817	1.1
68.42144	0.4
69.92956	2.3
71.01389	0.6
81.03494	0.7
83.05033	0.4
85.02974	1.0
87.00899	0.6
88.98820	3.9
89.02444	1.1
91.05542	1.6
93.03465	2.9
98.19901	0.5
107.05038	3.9
111.04558	2.3
123.04536	2.4
124.29011	0.4
133.03008	0.8
134.03767	1.7
135.04541	100.0
136.04860	5.0
137.02480	0.5
151.41273	0.4
153.05609	0.4
155.03484	2.3
161.02460	1.2
167.03499	9.5
168.03952	0.6
170.22632	0.4
171.02272	0.4
173.04561	9.7
179.03511	32.1
180.03902	2.0
191.05624	19.3
192.05977	0.8
202.43985	0.4
321.96832	0.5
329.08835	0.7
353.08780	28.9
354.09079	3.7
389.01871	0.3
389.06512	7.6
390.06796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
60.01751	0.3
60.99301	0.5
67.01892	1.8
69.03468	0.3
69.79538	0.5
69.79949	1.0
71.01392	1.4
73.02950	0.3
83.05026	0.5
85.02960	6.4
87.00885	2.9
93.03474	12.1
94.03806	0.5
101.02433	0.2
107.05020	0.2
109.02967	0.5
111.04543	2.6
115.04080	0.2
116.41746	0.2
117.61397	0.2
119.88071	0.2
125.48375	0.2
127.04027	1.9
133.02942	0.5
135.04552	11.0
136.04857	0.4
137.02527	0.3
143.03526	0.2
149.87321	0.2
155.03529	0.6
161.02463	2.6
173.04581	9.7
174.04866	0.5
179.03511	2.9
184.79073	0.3
191.05627	100.0
192.05980	5.3
227.09230	0.3
272.58356	0.3
312.13943	0.2
353.08792	25.4
354.09155	3.2
389.06451	7.7
390.06808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31004	0.5
57.03438	0.8
59.01375	2.7
61.98833	100.0
62.91541	0.5
71.71908	0.6
81.50349	0.5
85.02960	7.0
89.02469	0.6
101.06198	0.6
111.04533	1.2
121.02966	0.6
122.03789	0.6
123.08221	0.5
125.06142	1.7
127.07632	0.6
137.09814	0.6
169.08708	5.6
196.32727	0.5
230.64906	0.6
253.47466	0.5
261.14951	2.2
262.10867	1.6
267.03098	0.9
309.03842	0.6
325.07199	5.6
326.07544	1.0
345.20679	3.8
347.18637	0.9
389.19751	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
61.98832	100.0
62.98565	0.2
65.36410	0.2
69.92406	1.0
69.92821	0.5
88.98844	0.3
89.72633	0.2
98.19916	0.3
98.85283	0.3
99.55862	0.2
115.28974	0.3
118.58747	0.2
119.05064	0.8
120.05372	0.6
134.15771	0.2
135.04556	1.4
163.04022	0.5
164.04402	0.6
164.65936	0.2
166.04770	0.3
191.05608	1.6
226.06410	0.4
353.08936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2178
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
55.01889	0.5
57.03447	2.6
66.58088	0.4
68.99773	0.6
69.79035	3.2
70.65578	0.5
79.01898	1.3
98.20635	0.8
99.00871	1.8
105.07072	0.5
109.02959	1.5
111.00967	0.5
121.02986	0.6
122.03736	1.6
123.04531	1.2
125.02473	1.0
125.35259	0.5
133.02972	0.7
134.03732	0.8
135.04543	4.4
136.05292	2.0
137.02484	2.8
147.08182	1.1
148.05383	0.5
149.02467	1.4
149.06105	1.9
150.03253	0.8
151.04005	0.8
153.01892	0.5
159.04602	0.5
160.01695	0.6
161.02470	9.4
162.03152	1.6
163.03998	2.1
167.03523	1.6
168.04268	1.9
168.71664	0.4
171.08194	1.5
173.06105	1.1
175.03918	0.6
177.09245	0.8
179.03419	0.5
179.10913	0.5
180.04332	4.5
181.05048	1.0
185.09595	0.5
187.07634	3.4
188.08450	7.7
189.09119	0.9
191.10692	0.4
193.05080	55.5
194.05534	5.0
195.13840	0.5
200.03275	1.1
200.16150	0.5
201.09267	2.3
202.09834	0.5
203.10771	1.3
207.06657	0.9
210.77065	0.5
215.07172	1.4
215.10844	2.8
216.11511	0.6
221.08423	0.5
226.09940	0.5
227.10693	1.2
229.08777	1.1
230.09503	12.1
231.09836	1.3
233.08223	0.8
236.10590	1.0
237.11266	1.1
241.12312	1.1
243.10254	1.2
246.08887	0.5
247.09779	7.0
248.10509	2.4
249.11293	1.8
257.11862	0.5
257.15543	3.3
258.12558	2.8
258.15314	0.6
259.13300	1.8
261.11267	6.7
262.12057	8.1
263.12485	1.1
275.12912	2.5
276.13376	0.6
280.09644	0.6
285.11246	1.7
286.11862	0.7
287.12897	0.8
301.14331	0.7
303.12350	2.7
311.20346	0.8
318.14755	5.8
319.15054	0.7
327.19635	1.7
355.19263	3.0
356.19720	0.6
369.20535	0.5
387.21780	100.0
388.22147	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	387.218
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
52.17281	0.3
53.07816	0.3
55.01882	0.8
57.03447	1.1
59.01379	0.9
61.98833	0.7
71.01406	0.6
71.05428	0.5
71.05758	0.4
72.61810	0.3
83.05097	0.4
86.63823	0.3
89.24786	0.3
94.61829	0.3
99.00870	0.6
107.05054	0.4
109.02982	2.1
117.01857	0.3
120.05809	0.9
121.06604	1.6
123.08186	0.5
124.01683	2.1
125.02479	0.9
135.08194	4.2
136.08516	0.3
136.78911	0.3
137.02475	44.7
137.09746	1.0
138.02745	1.8
138.28378	0.3
138.52011	0.3
147.08186	0.7
148.05319	0.4
149.06126	0.5
150.63945	0.3
151.04027	0.5
161.09752	1.1
163.07722	0.6
163.11330	1.1
165.01974	0.7
165.09235	0.4
167.10800	1.2
170.61711	0.3
173.09723	0.4
181.08740	0.8
189.09265	2.3
191.10815	4.2
193.12402	0.8
251.12935	0.5
257.15524	0.4
269.19196	0.4
276.13660	13.2
277.14017	1.1
295.17249	0.4
304.13101	0.7
311.20135	2.2
313.18344	0.3
313.21799	1.2
327.19635	1.0
341.17917	0.5
355.19168	3.2
356.19913	0.8
357.17038	4.3
357.20801	1.8
358.17422	0.8
387.21799	100.0
388.22144	16.0
388.26041	0.4
392.86636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23666	0.4
57.48487	0.3
59.01379	100.0
60.01711	1.3
68.67119	0.3
69.50466	1.7
69.50893	1.4
71.01378	1.7
75.52385	0.3
76.85523	0.3
85.02950	1.0
89.02467	1.4
93.03472	0.7
94.86384	0.3
95.01408	0.3
98.19892	0.7
101.02442	1.7
113.02465	2.3
119.03537	0.7
130.45656	0.3
152.50316	0.3
161.04575	1.7
165.09221	64.9
166.09546	4.3
179.10788	0.5
188.48596	0.3
207.10214	0.6
207.61169	0.3
221.06644	0.4
239.74251	0.4
327.14398	0.7
364.95020	0.5
387.20053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2174
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
51.40688	0.3
57.03443	1.1
58.19173	0.3
58.67740	0.3
59.01373	0.6
59.92404	0.3
61.98830	0.5
67.77554	0.3
68.99821	0.3
71.30379	0.6
79.05544	0.6
99.00902	1.1
109.02962	0.4
110.33199	0.3
111.04556	0.5
122.03759	2.5
123.00880	0.3
123.04554	0.4
125.02459	0.5
125.06035	0.5
131.04996	0.5
133.06606	0.7
134.03668	0.3
135.04532	1.0
136.05315	0.6
137.02483	1.1
141.06998	0.3
143.08647	0.3
147.08189	0.8
148.01796	0.3
148.05289	0.3
149.02487	0.5
149.06107	0.6
151.04031	0.3
159.04546	0.6
161.02466	1.6
161.06065	0.9
161.09706	0.5
163.04051	0.4
163.07578	0.4
165.09204	0.3
167.03494	0.6
168.04225	0.4
171.08224	1.5
173.06107	1.2
175.03918	0.4
176.04759	0.6
177.01938	0.7
177.05620	0.7
180.04280	1.5
181.05115	0.5
183.08110	0.4
185.09708	0.6
187.07625	1.2
188.08438	1.2
189.05576	0.6
189.09224	2.0
191.03444	0.4
191.07416	0.3
192.04353	0.4
193.05067	6.0
193.08809	0.3
194.05692	0.9
195.03003	0.4
199.07642	1.3
201.09212	3.0
202.09978	1.5
203.07248	0.4
203.10835	2.3
204.11508	0.9
205.05042	1.6
205.25624	0.3
207.06650	1.3
213.05606	1.9
214.06332	0.6
215.07196	0.9
215.10707	0.6
217.08627	0.8
217.12318	0.7
227.07040	0.6
227.10823	0.5
228.07930	0.5
229.08728	1.8
230.09433	1.4
231.13902	0.8
232.11009	0.4
233.08208	3.3
235.06090	0.4
235.09656	0.6
236.10539	0.3
243.10237	2.6
244.10779	0.5
245.08246	1.5
247.09750	19.8
248.10310	3.3
249.07729	0.4
259.09784	4.4
259.13354	2.8
260.10416	1.0
261.11313	21.2
262.11798	2.7
271.09766	0.6
272.10349	0.6
275.09271	1.3
275.12860	3.1
276.13470	0.6
276.47888	0.3
280.09610	0.7
286.12158	1.2
287.12921	4.9
288.13226	0.8
303.12402	3.5
312.17398	0.6
313.17984	0.5
317.13855	0.4
318.11444	0.6
318.14746	15.8
319.15201	2.5
327.19617	2.1
328.20111	0.5
369.20844	0.6
387.21768	100.0
388.22153	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	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.27409	0.4
55.01861	0.7
57.03449	0.8
58.00573	1.1
59.01381	71.9
60.01731	0.7
61.75347	0.4
61.98832	6.7
69.76740	1.3
69.77172	1.6
70.15102	0.4
71.01387	14.5
72.99321	1.2
73.02959	1.0
78.95940	2.1
83.01402	0.9
85.02966	3.9
87.00870	0.8
89.02453	12.9
90.02803	0.5
93.03485	1.8
95.01415	1.2
95.05041	0.7
96.96042	3.4
96.96977	4.6
98.19930	0.6
101.02451	8.2
113.02476	6.1
114.78854	0.4
117.73116	0.4
119.03519	4.7
123.04553	0.6
125.02470	1.0
137.02449	3.5
143.03474	0.7
147.08224	1.1
151.04102	0.5
161.04614	1.0
163.11305	36.0
164.11618	2.6
167.03543	1.4
181.08757	0.8
181.12415	0.5
191.05656	1.5
207.06638	0.4
207.10274	0.8
209.04454	0.7
225.07710	1.5
225.11288	0.4
249.06218	0.6
261.80652	0.4
267.08813	1.2
297.09811	0.6
369.15506	0.6
387.16632	100.0
388.17029	12.1
408.32062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52472	0.8
57.03498	1.5
59.01440	7.1
69.03541	1.9
69.72697	1.7
69.73106	3.5
71.01452	2.3
71.14733	0.6
74.42218	0.7
80.15540	0.7
81.03467	8.6
83.01481	4.1
85.03018	0.8
85.06641	1.3
87.04591	0.8
89.02536	2.4
93.03542	2.1
95.01466	1.9
95.05043	9.8
97.02966	6.5
97.06623	0.9
99.04531	3.4
101.02518	1.7
107.01440	1.5
108.02287	0.9
109.03031	1.8
109.06697	2.6
111.04552	5.7
113.02548	2.1
121.03054	1.2
121.06703	2.6
122.03830	1.0
123.04552	8.3
123.08242	1.0
125.02473	30.1
126.02856	1.0
135.04596	1.4
135.08252	1.6
137.02455	4.6
137.06152	0.7
139.04108	1.9
139.07744	1.3
141.05632	1.2
149.02510	0.8
150.06953	1.0
151.00487	2.1
151.04091	1.3
151.07677	9.2
153.05698	2.3
155.03581	2.7
161.04684	0.8
163.00499	1.6
163.07629	3.9
163.11372	1.4
165.01999	1.1
165.05661	2.6
165.09256	5.6
166.02754	0.8
166.09488	0.9
167.03525	31.7
167.07214	1.1
168.03880	1.7
175.07765	0.8
177.09189	4.7
179.03615	1.5
179.05835	0.8
179.07263	1.5
181.05098	0.8
181.08839	2.3
183.06519	0.9
191.03642	0.7
191.05748	1.7
193.01442	1.5
193.05139	0.8
193.08759	2.7
195.06648	20.4
196.07031	1.3
197.04559	4.0
205.05200	0.8
205.08759	2.7
206.20067	0.6
207.06633	20.3
207.10316	0.7
208.07097	1.0
219.06607	5.2
221.08141	3.3
225.07700	15.5
226.08087	1.4
233.08205	0.8
234.05452	0.9
237.07686	52.4
238.08128	2.6
249.07678	47.4
250.07901	4.0
261.07755	2.0
267.08731	100.0
268.09042	8.1
279.08740	16.5
280.08762	1.0
297.09793	25.6
298.10120	2.2
309.09808	1.5
310.94180	0.8
339.11130	0.9
351.10641	0.8
369.11743	3.1
387.12766	26.3
387.16748	3.4
388.13083	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	Apodantheroside
Peak:m/z	Relative Intensity
57.03449	2.0
59.01383	3.0
61.98824	0.9
65.00342	0.8
65.38707	0.3
69.03461	1.1
71.01379	2.3
71.71577	0.4
72.99306	0.4
73.02956	0.4
81.03461	3.6
83.01396	2.3
85.02962	0.8
85.06586	0.4
89.02444	1.2
93.03496	0.4
97.06582	0.4
99.00885	0.4
101.02463	1.7
107.01399	1.5
107.97284	0.3
109.06607	1.5
109.97897	0.4
111.00890	0.3
111.04527	3.0
113.02467	1.1
119.03484	0.8
119.05029	0.8
121.06616	1.2
122.03806	0.9
123.04562	2.0
124.01723	0.4
125.02467	19.7
126.02856	0.6
127.07785	0.4
128.89639	0.3
137.02478	0.6
137.44810	0.3
139.04024	0.5
139.07646	1.7
145.06650	0.5
148.01768	0.4
148.24277	0.3
149.02470	2.4
149.07953	0.3
151.00394	4.7
151.04027	0.6
151.07664	21.6
152.07994	1.2
161.04584	1.1
163.07674	3.7
165.05602	0.5
165.09319	0.4
167.03537	0.7
177.01994	0.4
177.05615	0.6
177.09082	0.3
179.03447	0.4
189.05637	0.6
191.03645	0.3
191.05627	0.3
195.06639	100.0
196.06996	6.7
197.04573	1.1
200.33171	0.3
207.02950	1.0
207.06636	35.3
208.07027	2.2
219.06528	0.3
225.07695	9.7
225.14911	0.4
226.08141	0.7
231.06664	0.7
249.07651	0.6
261.35013	0.4
269.06915	0.4
311.10373	0.7
357.07892	0.6
357.11929	5.8
358.12360	0.5
369.11954	4.9
387.13495	1.8
387.20755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1298
Annotation	Apodantheroside
Peak:m/z	Relative Intensity
54.71152	0.3
55.01863	0.5
55.36435	0.3
57.03445	2.5
59.01379	7.1
61.98821	1.5
65.00323	1.5
67.50922	0.3
69.03457	1.0
70.19965	0.5
71.01389	6.6
71.05018	0.4
71.72012	0.5
71.72395	0.5
72.56229	0.4
73.02944	1.5
75.00895	0.5
81.03461	3.6
83.01385	3.3
85.02959	2.6
85.06578	0.5
87.00896	0.8
87.04543	0.5
89.02459	2.3
93.03445	0.5
95.01373	0.8
97.06587	0.6
98.05636	0.3
99.00877	0.7
99.04483	0.6
101.02446	3.6
107.01388	1.8
109.02934	0.7
109.06618	1.8
111.04520	2.3
112.37956	0.5
113.02477	3.1
119.03510	1.0
119.05040	4.6
120.99690	0.6
121.02969	0.5
121.06611	1.7
122.03786	0.6
123.04545	2.9
123.08140	0.6
125.02460	19.6
126.02810	0.6
128.84535	0.4
135.04573	0.6
137.02454	1.4
137.06172	0.5
139.07663	1.3
145.05084	1.5
145.06479	0.5
148.67574	0.4
149.02444	2.4
151.00388	6.6
151.04039	0.7
151.07668	20.5
151.11272	5.7
152.01126	0.8
152.07994	0.7
153.13185	0.4
159.03058	0.4
161.04593	3.0
163.04066	2.2
163.07660	3.6
165.05583	0.8
165.09259	0.7
167.03467	1.4
177.05562	0.6
178.99792	0.5
189.05495	0.5
191.05502	0.5
191.07080	0.6
195.06635	100.0
196.06989	4.9
197.04585	1.5
207.06635	36.6
208.07013	2.3
225.07704	10.4
225.11256	0.7
235.06264	0.4
235.08163	1.9
237.07640	0.8
239.05647	0.7
247.32373	0.4
278.45575	0.4
285.03860	0.6
311.10373	0.7
315.08591	0.7
357.11893	6.8
369.11963	5.3
370.12289	0.6
387.10574	3.4
387.16611	0.8
387.20667	1.0
388.12000	0.5
398.03601	0.4
401.12723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03452	11.2
59.01374	5.3
61.98835	4.8
62.29247	1.8
65.04001	1.4
67.01894	3.2
69.03471	2.5
70.25025	2.2
70.25439	5.7
71.01389	6.8
72.99325	6.0
77.03965	2.9
81.03481	5.6
83.01401	7.1
85.02957	24.4
87.00875	9.0
91.01916	3.6
93.03467	26.6
95.01412	2.3
95.05044	4.8
97.02953	1.8
105.03493	4.9
107.05053	6.9
108.02200	9.9
109.02970	9.0
111.00899	34.4
111.04538	4.7
113.02479	1.8
119.05057	5.8
121.02982	6.5
122.61960	1.5
123.04548	33.8
123.05372	3.0
125.02464	4.3
127.04022	4.3
129.01959	100.0
130.02318	3.4
133.02971	15.3
134.03766	2.8
135.04520	13.2
137.02457	3.7
139.04031	1.7
149.02490	2.6
151.04025	35.8
152.01170	4.6
152.04375	1.6
155.03514	2.6
163.04056	11.5
164.04338	1.6
167.03525	19.8
173.04579	21.8
175.51721	1.6
177.01933	8.0
178.02635	1.8
179.03513	8.0
184.76221	1.4
191.05621	95.4
192.05962	6.4
193.06012	2.1
195.03043	6.4
213.04048	4.3
219.05009	8.6
225.07741	3.0
335.47244	1.4
337.09219	3.0
369.08154	1.6
387.09259	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	387.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03447	12.3
59.01382	5.5
61.98832	23.9
64.42498	0.5
65.12702	0.4
68.99846	0.7
69.03471	0.7
70.06832	2.7
71.01387	2.4
78.95918	1.2
79.68173	0.5
81.03450	1.0
83.01396	6.2
85.02959	8.5
87.00886	2.3
89.02475	0.8
91.01906	2.9
93.03474	0.6
96.96017	1.3
96.96978	1.9
97.02988	0.8
99.54050	0.5
101.02439	1.1
108.02206	2.2
109.02979	0.9
111.00896	37.5
112.01269	1.1
113.02528	0.7
113.91031	0.5
121.02990	2.1
123.04549	10.6
124.04842	0.5
125.02492	1.2
129.01961	100.0
130.02299	3.8
150.03229	0.9
151.03947	0.5
152.01180	5.2
153.01907	0.7
163.07684	1.0
165.05589	12.4
166.05824	0.6
167.03511	21.2
168.03873	1.4
191.05644	1.8
201.04100	0.6
219.05116	7.9
225.07674	7.0
267.08762	1.4
297.09518	0.5
299.07608	0.6
323.42276	0.5
343.07065	0.8
371.33740	0.5
387.09103	0.5
387.12994	4.1
395.72461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0935
Annotation	Ixoside
Peak:m/z	Relative Intensity
51.46596	0.3
53.62135	0.3
57.29604	0.3
59.01382	8.7
66.93938	0.4
69.03457	7.0
69.90370	2.2
69.90781	0.7
71.01387	4.2
80.23769	0.4
81.03484	0.4
83.01400	0.5
85.02966	1.1
86.70354	0.4
89.02468	4.1
91.05545	1.4
95.05031	0.8
99.49821	0.4
101.02434	2.2
113.02453	1.5
118.32256	0.4
119.05043	57.5
120.05396	2.5
121.02976	0.5
125.02487	2.4
135.04538	1.2
137.06110	2.5
155.80959	0.4
163.04030	29.5
164.04390	1.5
165.05528	0.5
166.59679	0.5
175.43158	0.4
181.05083	15.2
182.05359	0.9
207.02995	100.0
208.03325	6.4
225.01840	0.6
225.04092	9.5
225.07637	6.5
226.04300	0.5
249.04021	1.0
267.05127	0.8
327.07108	0.5
369.08377	2.6
372.87262	0.5
387.09338	88.0
388.09662	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	385.2389
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.78999	0.5
56.33074	0.5
59.01366	1.0
64.22218	0.5
67.43781	0.5
69.84463	1.1
69.84967	2.0
70.08106	0.4
71.36174	0.6
74.78554	0.4
79.01917	0.6
79.05513	0.6
81.03461	0.7
83.01382	4.1
93.12997	0.5
95.05041	2.4
98.20556	0.7
98.58871	0.5
106.56118	0.4
107.05035	1.1
119.08614	0.6
138.03389	0.5
145.60806	0.5
147.08145	0.9
149.06116	0.6
151.04002	1.0
159.08183	1.5
161.09738	4.5
163.07658	1.4
164.04752	0.6
176.75156	0.5
177.01942	1.2
177.09262	0.6
179.03465	1.3
180.04318	9.1
185.09688	0.6
187.07645	1.5
189.01964	0.6
193.05107	5.4
194.00229	0.5
194.05820	0.5
197.04668	0.5
201.09248	2.1
203.10822	8.8
204.11136	0.9
205.05090	11.9
205.08711	8.1
205.12338	1.8
206.05412	0.6
206.09026	0.9
217.12370	0.8
219.10321	0.8
223.35556	0.5
229.08713	1.0
231.06635	3.7
232.07390	0.6
233.08228	2.4
234.08961	0.7
242.47511	0.5
247.09761	100.0
248.10101	9.2
249.34720	0.5
261.11285	0.6
289.59283	0.4
315.16025	0.8
316.13516	0.6
316.16760	2.3
341.24841	2.3
342.25116	0.5
385.23883	85.5
386.24277	16.1
386.28073	0.3
386.29391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1657
Annotation	Mortonin
Peak:m/z	Relative Intensity
52.40471	0.6
57.03447	0.6
59.01381	3.0
61.98824	2.6
69.67315	2.2
69.67744	2.9
70.99772	0.7
71.05041	1.2
81.03467	2.6
83.01398	0.7
85.02945	1.1
87.04537	4.4
93.03516	0.7
94.65050	0.6
95.05027	1.2
97.03007	0.7
101.03951	1.3
109.02972	1.3
119.05040	69.9
120.05360	3.3
121.02971	23.9
121.03848	1.3
123.08172	2.6
125.02480	2.2
125.15234	0.7
131.05025	0.9
137.02452	8.7
145.02975	9.1
145.06668	1.7
147.08226	0.8
149.02466	1.4
149.09746	1.3
150.03238	11.4
151.03740	0.7
157.06607	0.7
159.04524	2.0
159.08156	3.2
161.02550	0.8
164.01184	0.9
165.01945	5.5
173.09709	1.7
177.05525	0.7
184.44193	0.6
185.06024	1.7
186.06844	1.3
187.07689	1.9
191.14433	1.5
199.04097	0.8
201.05478	0.8
209.09760	1.3
209.13315	0.8
210.10547	1.3
223.11331	4.2
224.18913	0.7
225.12854	12.7
226.13338	0.9
227.14435	1.9
237.12729	1.4
244.11044	4.1
245.11855	2.0
255.13881	8.6
256.14261	1.0
259.06201	1.0
269.19016	2.2
287.05637	2.2
288.06223	0.7
295.17130	2.3
313.18085	100.0
314.18420	13.8
385.09158	2.0
385.16556	51.8
386.16968	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03449	0.3
59.01382	0.3
63.61842	0.2
69.03452	0.5
69.88057	0.3
69.88460	1.0
71.05030	1.7
73.10221	0.1
77.03993	0.5
79.01899	1.5
82.40954	0.2
83.01389	1.7
93.03477	0.4
95.01429	0.2
95.05034	3.5
97.02962	2.9
98.19907	0.2
99.08188	1.1
101.06100	0.7
107.05035	0.3
109.02975	1.2
109.06596	0.3
111.04499	0.2
114.04435	0.1
121.02962	1.3
121.06562	0.3
122.03770	1.2
123.08146	0.8
124.01668	0.3
125.02484	2.2
125.06102	3.3
135.04533	0.3
137.02463	11.8
137.09726	2.5
138.03239	0.9
139.04031	10.2
140.04324	0.3
149.02458	0.6
149.06120	0.2
150.03233	2.3
150.06845	0.3
151.03978	0.3
151.07684	0.5
155.10822	0.3
159.04541	0.4
161.02432	0.4
161.09747	1.1
162.03296	0.2
163.04010	0.7
164.01132	0.8
164.08350	0.2
165.01949	6.6
166.02678	1.1
175.03978	0.6
176.04745	0.2
177.09261	0.7
179.03578	0.4
179.10793	16.2
180.11130	1.2
181.05101	0.3
201.05569	0.6
201.09196	0.4
205.08711	1.6
215.07156	0.2
219.06714	0.2
219.10341	0.5
223.09761	100.0
224.10088	7.5
225.05685	0.3
229.08742	0.3
241.05130	0.3
245.04544	0.2
247.09793	0.9
259.06091	0.8
265.10760	1.8
269.04672	0.4
277.10898	0.2
283.08350	0.2
287.05627	1.6
288.06375	1.4
289.06659	0.2
295.06070	0.5
295.11942	0.3
335.28580	0.2
367.12125	0.2
385.13547	2.7
386.13559	0.3
400.54276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	0.2
55.01880	0.4
57.03444	0.5
58.42920	0.2
59.01375	0.3
67.59386	0.2
69.03461	0.5
70.87250	0.2
71.05024	1.9
71.71771	0.3
77.03970	0.4
79.01904	1.3
80.02702	0.2
81.03471	0.3
81.88746	0.2
83.01398	2.6
93.03468	1.1
95.05040	3.6
97.02959	2.2
99.08202	0.4
101.06081	0.4
107.05036	0.3
109.02958	2.1
109.06610	0.2
121.02987	2.2
122.03783	1.6
122.83323	0.2
123.08170	0.4
124.01665	0.6
125.02473	3.2
125.06099	2.5
135.04543	0.5
136.05295	0.7
137.02469	19.3
137.06075	0.4
137.09738	2.2
138.03229	0.8
139.04037	15.4
140.04359	0.7
145.03018	0.3
149.02473	1.0
150.03249	5.0
151.03978	0.6
153.05556	0.3
154.02747	0.3
155.02899	0.2
155.10860	0.3
158.03807	0.2
159.04532	0.5
161.02451	0.8
162.03204	0.3
163.04041	1.0
164.01201	0.8
164.08420	0.6
165.01950	10.1
166.02565	0.9
167.03506	0.2
173.06105	0.5
175.04004	0.6
177.01952	0.3
177.05554	0.3
177.09238	0.3
179.03511	0.8
179.10799	17.4
180.04102	0.3
180.11162	1.3
181.05115	0.9
183.04520	0.3
189.03911	0.2
189.05589	0.2
190.06297	0.3
201.05621	1.4
201.09242	0.2
203.03444	0.3
204.04172	0.3
205.08704	1.2
215.07239	0.2
217.05112	0.4
219.06664	0.4
223.09766	100.0
224.10086	8.0
224.12323	0.4
225.05626	0.3
226.06377	0.2
243.06721	0.4
245.04527	0.2
247.09807	0.7
259.06058	1.4
265.10818	3.2
266.11124	0.4
269.04526	1.0
270.05182	0.3
283.08273	0.2
287.05566	3.0
288.06372	2.6
289.06702	0.3
295.11890	0.8
377.63971	0.2
385.12570	3.7
386.13535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50826	0.5
57.03439	1.1
69.03457	0.8
69.94329	2.0
83.01398	3.6
93.03481	1.8
95.01395	0.5
97.02955	1.7
98.19882	0.8
108.02196	1.0
109.02975	4.2
111.00917	0.6
112.92787	0.5
121.02981	5.8
122.02882	0.7
122.03766	13.6
123.04162	0.5
124.01686	2.4
125.02475	10.5
135.04588	1.5
136.01669	1.5
137.02463	40.7
138.03090	1.6
147.04544	0.7
149.02466	6.1
150.03244	100.0
151.03561	4.8
153.01903	0.6
154.02745	1.9
159.04556	2.2
159.52150	0.4
161.02475	2.2
163.00385	0.8
164.01189	6.1
165.01949	43.1
166.02449	2.4
167.03517	0.4
172.05286	0.9
173.06088	2.0
174.03304	0.6
175.04033	5.1
177.01930	1.6
177.05556	1.6
179.03470	3.9
183.04497	0.7
189.05632	1.4
191.07214	0.8
195.53186	0.5
196.05382	0.5
197.06018	0.8
201.01909	0.5
201.05573	5.0
201.09245	0.5
203.03525	1.8
208.07465	0.9
215.07149	2.0
217.05081	1.4
219.06638	1.9
225.05531	1.1
226.06273	0.6
241.05093	0.8
243.02953	0.8
243.06667	2.8
245.04700	0.9
258.05280	0.7
259.06110	10.5
259.08685	0.9
260.06512	0.7
269.04480	1.9
270.33661	0.5
287.05609	14.2
288.06323	7.9
300.09659	0.6
327.96121	0.4
337.42703	0.5
357.33490	0.4
385.12939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99762	1.1
52.85768	0.9
57.03451	9.9
58.47817	1.1
59.01380	49.3
69.03455	1.9
69.59952	5.7
69.60356	2.1
71.01385	2.8
81.03459	8.4
83.01399	9.2
83.05038	1.3
84.55611	1.0
85.02947	1.4
93.03475	3.2
95.01414	2.1
95.05024	5.9
97.02996	6.7
99.04532	3.6
101.02460	1.3
104.65703	1.0
107.05048	2.4
109.02969	7.9
111.04568	1.1
121.03011	5.2
122.03786	4.9
123.04553	3.8
124.01684	3.2
125.02469	64.0
126.02772	2.6
131.05069	1.6
133.02957	1.3
135.04543	3.8
137.02469	100.0
138.02773	3.1
139.04066	3.8
146.03757	15.1
147.04544	2.4
148.05353	5.9
149.02478	2.5
149.06143	3.1
150.03279	6.6
151.04048	5.1
157.06587	1.5
159.04538	4.6
161.02466	1.5
161.04578	3.7
161.05943	1.8
163.00424	1.2
163.07651	4.3
163.99869	1.8
164.01180	27.1
165.01953	81.3
166.02339	4.6
167.03517	31.3
167.04903	1.8
168.03830	2.8
172.05318	4.7
173.06084	14.1
174.03253	10.2
174.06845	5.9
175.03993	4.0
175.07661	31.6
176.04842	9.1
176.07999	3.0
177.01944	12.3
179.03526	21.6
180.03801	1.2
185.05978	1.3
186.06795	1.9
187.04034	2.9
187.07709	6.9
188.04813	3.8
189.05531	2.5
189.09256	5.6
190.02731	4.3
190.06335	1.4
191.03505	3.9
191.07198	1.7
199.07657	2.4
200.04811	7.0
201.05553	4.8
201.09267	9.6
202.06291	3.1
202.09682	1.4
203.07178	16.8
204.04283	4.1
204.07585	1.8
205.08687	7.8
210.06906	1.1
211.03957	2.4
211.07663	2.3
212.04749	1.6
213.05539	1.8
213.09192	3.3
215.07143	2.0
216.07909	1.8
217.05084	1.3
217.08679	18.1
218.05870	1.3
224.08392	1.3
225.05598	2.8
226.06329	3.9
227.10651	1.0
228.03986	1.1
228.07674	1.3
229.08713	36.5
229.12146	1.6
230.09085	3.1
239.07124	2.0
239.10735	5.9
240.07843	2.6
241.08727	4.0
244.07393	3.1
247.09729	14.2
251.07043	2.0
252.07968	1.4
253.05008	1.2
254.05710	1.2
255.10289	4.9
257.11847	2.9
265.08582	1.4
268.07404	3.5
269.08002	1.2
270.09094	2.2
273.11404	1.8
279.10263	2.8
281.11874	8.8
282.12207	1.6
283.09708	4.8
284.10248	1.5
288.06268	2.7
294.08987	4.4
295.09723	2.4
295.13297	1.1
297.11395	5.1
298.11633	1.8
299.12967	10.5
323.12915	24.3
324.13187	5.2
325.10904	2.8
341.10214	3.6
341.14047	4.3
348.09302	1.1
349.10803	3.8
367.11877	67.1
368.12201	11.8
385.12918	42.1
386.13358	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	385.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
57.63075	0.4
69.03453	1.7
69.78304	1.9
69.78715	1.0
70.20310	0.4
77.03967	0.6
83.01389	5.9
93.03456	2.5
95.01425	0.8
95.05016	0.6
97.02959	3.5
107.05058	0.5
108.02178	1.5
109.02982	5.3
115.47131	0.4
116.27177	0.4
121.02973	6.6
122.03766	20.6
124.01692	3.2
125.02475	8.7
135.04498	1.0
137.02467	75.6
138.03278	3.2
139.04041	1.7
146.03769	0.7
148.01682	0.7
149.02458	4.0
150.03265	8.6
151.03990	1.7
154.02771	3.0
159.04527	1.5
161.02478	2.4
164.01190	11.0
165.01959	100.0
166.02332	5.2
172.05325	0.8
173.06056	1.2
175.03941	0.7
175.07712	0.6
179.03534	10.4
180.03998	0.5
199.04030	0.6
201.05673	2.8
201.09270	1.3
202.06206	0.7
204.04224	0.5
219.06694	0.6
220.07336	1.0
225.05585	0.6
229.08688	0.6
243.06561	1.5
244.07306	1.1
247.09807	0.7
259.06152	1.7
269.04501	1.0
270.05228	0.6
287.05591	4.7
288.06393	36.8
289.06802	2.9
367.11951	1.4
375.27777	0.5
385.12961	10.7
386.13171	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	385.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	11.8
69.03455	2.8
69.56703	6.8
73.64046	0.9
81.03473	7.3
82.03769	1.0
83.01396	11.0
84.43020	1.0
85.17087	1.0
93.03448	3.6
94.98823	1.0
95.01411	1.9
95.05038	6.3
97.02955	9.4
99.04509	4.2
107.05026	2.8
109.02966	6.1
109.14948	1.0
111.04556	0.8
113.06077	1.7
120.02185	1.2
121.02980	5.8
122.03763	5.2
123.04561	3.4
124.01670	3.5
125.02468	68.5
126.02779	2.9
128.51259	1.1
131.04958	1.5
133.02995	1.1
135.04500	3.2
137.02463	100.0
138.02843	4.2
139.04063	5.5
146.03746	18.9
147.04517	2.3
148.05295	1.6
149.02463	1.7
149.06055	3.5
150.03226	3.0
151.03993	7.3
157.06557	1.8
159.04529	7.0
160.05237	1.3
161.02452	1.4
161.06064	2.4
163.00302	1.1
163.07683	1.8
163.99869	1.9
164.01178	32.2
165.01952	84.2
166.02292	4.2
167.03513	43.3
167.04686	0.7
168.03810	2.0
172.05350	5.6
173.06079	17.5
174.03256	10.0
174.06841	7.2
175.04013	3.5
175.07652	36.2
176.04831	10.2
176.08006	3.4
177.01924	13.0
179.03519	21.6
180.03879	1.2
185.06133	2.8
186.06827	3.4
187.04012	4.7
187.07654	11.5
188.04788	4.1
188.08157	1.0
189.05544	3.0
189.09196	7.2
190.02791	5.3
190.06322	1.3
191.03603	2.3
191.07170	2.2
199.07674	2.7
200.04866	6.6
200.06424	1.5
201.05560	5.3
201.09175	9.9
202.06306	4.3
203.07149	17.0
204.04236	4.0
204.07663	1.8
205.08730	8.3
211.04034	2.3
211.07625	2.3
212.04741	1.4
213.09193	2.7
215.07108	3.4
216.07854	2.6
217.05183	1.7
217.08682	24.7
218.08981	1.7
223.09677	2.4
224.04538	1.2
224.08372	1.3
225.05591	5.7
226.06418	4.8
227.07164	1.9
229.08685	34.0
230.08942	3.6
239.07086	3.1
239.10735	4.9
240.07919	2.5
241.08629	5.7
244.07370	1.9
247.09798	12.0
251.07068	2.0
252.07854	2.9
254.09555	1.9
255.10318	5.6
257.11838	3.9
265.08554	2.2
268.07355	4.7
269.07996	1.5
270.08911	1.6
273.11307	2.2
279.10190	1.7
280.11060	1.4
281.08865	1.2
281.11786	7.6
282.12073	1.4
283.09769	6.3
284.10077	1.5
288.06332	1.7
293.08447	1.2
294.08926	2.9
295.13345	2.2
297.11264	6.7
298.11899	2.0
299.12857	10.1
300.13104	1.6
301.10733	2.6
305.11664	1.1
323.12915	34.9
324.13217	5.0
325.10706	2.5
341.10294	3.7
341.13986	6.0
342.14319	1.9
349.10748	4.4
367.11871	83.4
368.12128	14.7
385.12909	48.9
386.13263	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	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70131	0.1
53.02285	0.1
57.03452	0.6
58.00596	0.6
59.01384	12.0
60.01738	0.2
61.98861	0.2
63.02430	0.2
64.93075	0.1
65.00367	0.4
67.01942	0.2
69.03468	0.2
71.01392	6.4
71.05259	0.3
72.99326	0.6
73.02981	0.2
73.10506	0.1
81.03506	0.4
83.01406	1.2
83.01851	0.1
85.02968	1.1
87.00919	0.3
89.02459	7.0
90.02843	0.2
91.01961	0.1
91.05569	0.1
92.62697	0.1
93.03471	0.5
95.01428	0.6
95.05048	0.5
97.02986	0.5
97.06658	0.1
99.00926	0.2
101.02462	4.4
102.02856	0.1
105.07182	0.1
107.01437	0.6
108.02229	0.3
109.02966	0.5
109.06622	0.1
111.04560	0.1
113.02471	2.6
113.03230	0.2
117.07131	1.4
119.03532	3.3
119.04997	0.6
121.03013	0.2
122.03807	0.2
123.04549	0.2
125.02467	5.4
126.02798	0.2
131.03564	0.2
133.06641	0.4
134.03796	0.2
135.04562	0.2
137.02473	4.0
137.03500	0.2
137.06100	1.2
138.02795	0.2
138.06436	0.1
143.03589	0.1
146.03752	1.3
148.01701	0.1
149.02521	0.2
149.04591	0.1
149.06149	0.3
150.03265	1.0
151.07683	1.2
159.04491	0.2
160.40993	0.1
161.02477	1.9
161.04688	0.2
161.06082	1.3
162.03165	0.3
163.04044	0.5
163.07756	0.1
164.01213	0.5
165.01961	3.2
166.02290	0.1
167.03543	0.4
172.05341	0.3
173.06073	0.2
174.03224	0.3
174.06895	0.1
175.04092	0.2
175.07704	1.0
176.01135	0.2
176.04802	0.1
176.08162	0.1
177.01906	0.1
177.05569	0.3
179.03549	0.5
179.05658	0.2
186.06862	0.1
187.04047	0.2
187.07744	0.2
188.04909	0.1
189.01961	3.0
189.09258	0.2
190.02734	4.5
191.03178	0.3
195.06654	2.4
196.06966	0.2
199.07700	0.1
200.08383	0.1
201.05627	0.1
201.09238	1.4
202.09702	0.1
203.07187	0.6
205.05078	100.0
206.05420	6.9
207.06837	0.1
217.08748	0.4
222.01714	1.3
223.01988	0.2
223.06125	1.1
223.09483	0.1
229.08638	0.5
241.08723	0.2
247.09723	0.9
268.07654	0.1
283.09613	0.2
294.08603	0.2
297.11249	0.1
299.12817	0.2
314.51782	0.1
323.12720	0.4
325.10843	0.2
341.14212	0.1
349.10574	0.2
367.11832	1.3
368.12033	0.1
385.11496	8.8
386.11804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49530	0.4
58.10018	0.4
59.01376	4.5
68.31874	0.4
71.71021	0.6
86.98137	0.3
87.45618	0.4
91.64590	0.4
93.03477	0.8
113.83350	0.4
114.50784	0.4
119.05043	97.0
120.05380	4.9
139.33171	0.4
163.04027	100.0
164.04378	6.8
191.05644	1.2
205.05122	0.6
325.09155	1.0
385.91867	0.5
393.54880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1146
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
57.03449	0.4
58.00591	0.4
59.01382	11.6
60.01724	0.2
63.02417	0.3
65.00329	0.2
67.01909	0.1
69.59142	0.6
69.59571	0.4
71.01387	5.9
72.01733	0.1
72.99319	0.5
83.01395	1.0
85.02969	1.3
87.00890	0.2
89.02457	6.3
93.03484	0.3
95.01412	0.7
95.05077	0.3
97.02973	0.2
101.02459	4.2
101.99830	0.1
107.01426	0.6
108.02251	0.3
109.02988	0.3
111.04573	0.1
113.02466	2.4
117.07122	1.5
119.03529	2.7
119.05000	0.6
121.02961	0.2
122.03773	0.2
123.04490	0.1
125.02468	4.6
126.02763	0.2
131.03535	0.2
133.06625	0.5
134.03790	0.1
135.04507	0.3
137.02467	1.8
137.06093	1.3
143.03540	0.2
146.03757	0.9
149.06122	0.1
150.03188	0.6
151.07683	1.0
161.02490	2.1
161.04839	0.2
161.06084	1.0
162.03142	0.4
163.04027	0.3
164.01222	0.3
165.01979	1.6
167.03603	0.2
172.05292	0.1
175.07664	0.5
177.01929	0.2
177.05615	0.3
179.03487	0.2
187.04115	0.2
189.01968	2.9
190.02728	4.5
191.03125	0.2
195.06667	2.5
198.84694	0.1
201.09277	0.9
203.07111	0.2
205.05077	100.0
206.05415	8.0
217.08827	0.2
222.01726	1.5
223.06099	1.1
229.08798	0.2
247.09738	0.4
323.12802	0.2
367.11832	0.7
385.11459	8.0
386.11838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.7
57.03235	1.1
57.03529	2.9
59.01133	2.4
59.01460	16.5
61.98903	0.7
67.74231	0.5
68.63184	0.5
68.99902	0.9
69.03516	0.5
69.82040	1.3
69.82448	1.6
71.01047	1.9
71.01478	18.8
72.99406	3.1
73.03040	2.0
74.17381	0.5
75.00513	1.2
75.00970	11.4
78.95992	0.7
83.01474	1.9
83.05170	0.5
84.98872	0.5
85.02505	1.8
85.03059	22.5
87.00990	7.8
89.02554	6.7
91.05643	5.2
95.01395	5.5
96.96093	1.2
96.97076	1.2
99.00892	6.8
101.02537	1.0
103.00378	3.3
111.01001	0.6
112.01759	0.9
113.02468	29.4
114.02907	1.2
115.00433	1.3
117.02061	2.1
117.03464	4.6
119.05141	1.0
120.99754	1.2
121.02974	5.9
129.02028	2.0
133.06998	1.0
135.04578	3.5
135.06544	3.2
137.06227	2.1
139.00450	0.6
149.04674	0.7
163.04077	0.7
175.02617	1.2
181.05092	7.0
190.20453	0.5
191.05536	0.9
205.07104	1.2
207.05214	1.5
217.31477	0.5
223.08228	0.9
239.81154	0.6
249.06137	9.0
259.02469	0.5
263.05515	1.2
267.07193	100.0
268.07507	6.0
272.03491	0.6
275.76041	0.5
385.11209	26.0
386.11673	3.1
390.60986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03452	3.2
59.01381	17.7
59.57841	0.5
59.95526	0.6
67.01884	1.3
68.99834	1.5
69.03474	1.7
69.92252	1.7
69.92683	2.6
71.01389	22.6
72.99319	4.5
73.02947	1.7
75.00456	1.0
75.00879	16.0
83.01402	1.9
84.02190	0.8
85.02962	22.1
85.96512	0.6
87.00887	9.0
89.02463	7.4
91.04026	1.1
91.05547	19.6
92.05899	0.9
93.03500	1.5
95.01390	5.5
97.03048	0.6
99.00897	9.8
103.00389	2.4
108.59165	0.6
111.00893	1.4
113.02469	32.6
114.02818	1.4
115.00393	1.6
117.01958	3.2
117.03481	3.9
121.02978	23.7
122.03336	1.2
129.01973	1.9
135.04547	8.8
139.00337	0.9
157.01411	0.8
175.02507	1.9
189.03976	0.7
205.07187	1.2
207.05112	1.7
208.65323	0.6
231.05127	3.6
249.06165	33.3
250.06375	2.8
263.07687	6.4
267.07205	100.0
268.07568	6.9
325.09323	0.8
338.25012	0.7
367.10065	0.7
385.11411	48.7
386.11880	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
57.03451	3.9
58.00607	0.8
59.01381	21.9
61.98833	15.0
67.48596	0.5
68.79675	0.5
68.99850	0.9
69.03474	1.0
69.35126	0.4
71.01389	22.5
71.71125	0.7
72.99316	3.8
73.02989	1.6
75.00882	12.5
75.01270	1.0
78.95938	1.3
79.95740	0.6
83.01411	1.2
85.02956	22.6
86.03333	1.1
87.00883	9.1
87.01337	0.7
89.02451	8.4
90.02788	0.5
91.05539	5.4
93.03513	1.2
94.98135	1.3
95.01408	4.2
96.96052	2.0
96.97020	1.9
99.00895	7.2
99.01494	0.6
101.02461	2.3
103.00402	3.0
112.01756	0.7
113.02470	34.0
114.02824	0.5
115.00425	2.0
117.01995	2.2
117.03480	4.3
118.97221	0.5
119.05100	1.1
120.99680	12.9
121.00559	0.6
121.03023	1.0
123.04535	0.6
125.02489	2.7
129.01991	2.0
131.03557	1.1
135.04527	4.7
135.08304	0.5
137.02507	1.0
137.06105	1.3
139.04001	0.8
145.02982	0.5
149.02487	6.9
149.04509	0.6
151.00439	1.2
152.01212	1.4
161.02504	1.5
161.04591	0.9
163.04100	2.4
163.07686	1.6
163.69167	0.5
164.04794	4.5
165.02016	0.6
165.05244	0.8
175.02504	2.1
177.02051	0.8
179.03577	0.8
179.07243	2.4
181.05072	4.0
189.01947	1.2
190.02730	1.4
191.05702	1.8
193.01398	3.5
205.05074	1.1
205.07103	1.2
207.05104	1.4
208.03780	6.9
209.08252	0.7
217.05052	0.6
223.00755	4.4
223.06136	19.2
223.08040	1.1
224.06471	1.0
233.04556	4.4
234.04793	1.2
245.04565	1.7
249.06152	7.2
250.06317	0.6
259.02414	1.1
263.05609	23.2
264.05975	1.2
267.07199	100.0
268.07571	5.5
271.02448	1.5
272.02991	0.6
297.13498	0.6
311.02109	0.6
336.99384	0.5
341.06674	1.3
385.05704	2.3
385.11298	26.1
385.19077	1.3
386.11575	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03447	0.7
59.01382	4.3
60.99319	1.4
61.98847	0.9
64.56566	0.5
67.01897	4.2
69.03468	1.6
70.87072	1.6
71.01390	2.5
72.99319	6.1
73.02959	0.5
73.36564	0.5
81.03481	2.0
83.05045	1.3
85.02962	11.0
87.00878	8.5
87.01350	0.6
89.02439	0.6
93.03471	26.9
94.03814	1.2
95.01414	1.1
95.05050	1.8
97.02977	0.9
99.00910	0.9
99.04488	0.7
99.92587	0.6
100.98839	1.2
101.02396	0.7
105.03493	1.8
108.02237	0.8
109.02961	5.1
111.04554	4.2
113.02438	0.8
119.05040	2.5
121.02974	11.7
123.00913	2.3
123.04520	3.2
124.01693	1.3
125.02482	0.6
127.04050	2.4
129.01939	1.0
135.04552	4.0
136.01657	2.8
137.02472	16.2
139.04034	16.2
139.05125	0.8
140.04393	0.5
148.01685	2.1
149.02472	26.2
150.02881	0.9
151.04001	1.8
153.01979	1.2
155.03481	0.9
163.04033	1.4
165.01965	4.9
167.03514	11.3
168.04015	0.6
171.02977	0.9
173.04562	17.6
174.04900	1.1
177.01944	1.1
179.03500	1.8
189.01924	1.4
189.03996	0.6
191.05629	100.0
192.05981	5.3
193.01439	25.5
194.01859	1.5
200.68433	0.5
211.02548	3.2
211.06166	0.8
217.01379	0.6
223.04623	1.4
245.78381	0.6
247.04543	4.7
325.09192	1.2
341.06699	1.8
343.56305	0.6
353.08594	0.6
367.06644	3.2
376.15460	0.6
385.07687	19.2
385.11658	1.0
385.19681	0.7
386.08099	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	384.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
58.02972	15.6
59.01377	1.2
61.98827	2.0
70.02985	9.1
71.01382	1.9
71.71020	0.7
72.00906	0.9
72.04546	1.3
73.02927	0.8
74.02479	44.6
85.02955	1.7
93.03459	6.7
98.02489	12.6
101.02468	0.7
106.04258	3.6
107.05048	7.7
116.03554	17.7
119.05045	14.9
120.05381	0.7
121.02932	0.7
123.04552	0.6
136.07712	0.8
149.02472	1.1
149.70093	0.4
149.92551	0.5
163.04022	13.2
173.04688	0.9
178.08751	21.6
179.09068	1.5
180.06671	44.3
181.07011	2.0
191.05618	5.3
192.06021	0.5
193.01447	0.6
222.07718	100.0
223.08054	7.8
342.11951	0.7
384.12994	76.9
385.08249	0.8
385.13312	10.4
396.44171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.9
61.98827	3.5
67.01884	2.6
70.73573	3.8
71.01381	2.8
72.99320	9.9
77.03944	2.1
81.03457	4.2
83.05050	2.4
85.02956	11.3
87.00895	7.4
93.03461	24.4
93.04002	2.1
95.01405	3.3
95.05041	15.1
97.02959	3.0
105.03472	9.6
108.02145	1.7
109.02979	8.1
111.00903	1.5
111.04544	9.6
113.02487	2.2
119.05049	86.7
120.05344	3.2
121.02978	37.1
122.03758	1.5
123.00909	6.2
123.04545	12.3
124.01711	2.9
125.02505	5.9
127.04037	2.2
129.01970	4.4
133.02963	2.1
134.03745	3.3
135.04556	14.6
137.02464	20.6
139.04041	34.3
140.09814	1.1
149.02467	65.8
149.06102	1.3
150.02917	2.6
151.04019	3.9
153.01932	2.1
155.03539	2.6
163.04034	100.0
163.83684	1.1
164.04395	5.4
165.01955	8.8
166.02605	1.2
167.03519	35.2
173.04576	34.7
176.01202	1.4
178.02769	3.0
179.03499	10.7
191.05624	85.6
192.05956	4.7
193.01425	39.4
194.01866	3.7
194.74020	1.1
209.00876	2.3
211.02509	29.1
211.05994	2.2
223.04486	2.0
325.09338	2.4
325.43115	1.3
352.07907	1.6
353.08578	1.6
367.06915	1.8
385.07837	16.0
385.12006	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.7
59.01377	5.7
66.92964	0.5
69.03475	0.6
69.87641	1.1
69.88045	2.7
71.01376	1.2
71.05027	0.8
80.02699	0.8
81.03498	0.6
83.05051	1.1
84.44002	0.5
89.02486	0.7
91.04001	1.1
93.03495	0.6
95.05029	0.9
97.06594	2.3
106.04258	1.7
111.08154	0.8
121.02929	2.5
123.08182	0.6
125.09825	0.5
139.11281	1.7
153.12906	1.7
177.16479	1.7
182.56541	0.5
193.16026	0.8
198.66170	0.5
203.72807	0.6
245.19144	0.8
247.20663	51.4
248.20982	5.2
265.21698	3.2
273.18585	14.6
274.18842	1.4
291.16171	0.7
291.19653	66.2
292.19977	7.0
309.20721	100.0
310.21060	12.2
383.07571	1.4
383.24396	61.3
384.24805	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	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90915	0.7
57.03452	3.8
59.01381	7.5
61.98836	2.1
66.03474	0.7
67.51611	0.7
69.03444	0.9
71.01361	1.5
71.05022	1.1
71.71442	1.6
79.08114	0.7
83.05051	1.4
85.02959	0.8
89.02467	2.2
89.91601	0.7
91.03989	0.7
91.93792	0.8
93.42847	0.7
97.06599	2.6
97.13992	0.7
101.02455	0.9
106.04263	1.6
109.06570	0.9
113.02480	1.1
123.08173	0.8
125.09743	1.0
137.09735	0.8
139.11292	1.5
153.12852	0.7
167.14397	1.1
177.16557	1.6
199.03883	0.7
215.03482	2.7
243.02992	33.5
244.03336	2.7
245.19131	1.1
247.20665	45.3
248.21004	4.7
265.21661	3.3
273.18594	10.7
274.18820	1.5
291.19666	59.5
292.19995	7.0
309.20731	100.0
310.21069	10.9
314.08139	1.1
323.09830	0.8
341.22214	1.0
383.15399	10.3
383.24408	51.5
384.15463	1.7
384.24771	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	383.1383
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
51.75159	0.4
54.20573	0.4
55.01862	0.6
57.03439	0.8
58.00576	1.7
59.01379	41.7
60.01731	0.7
61.98834	4.4
69.77294	3.6
71.01385	24.3
72.99306	1.6
73.02948	1.9
74.99069	0.5
78.95867	0.5
83.01398	1.9
85.02962	5.5
87.00884	7.5
89.02451	30.7
93.03477	0.6
93.06729	0.4
95.01389	1.4
99.00898	0.6
101.02458	16.5
101.49004	0.4
102.02790	0.5
102.98616	0.6
109.02954	0.9
111.04556	0.4
112.36807	0.4
113.02470	11.5
113.03238	0.8
115.05875	1.4
119.03521	10.7
120.03861	0.4
120.99618	0.9
123.04487	0.7
124.01718	0.7
125.02467	0.9
131.03534	1.1
131.07462	0.4
133.06949	12.7
135.04588	0.6
143.03458	0.9
149.66873	0.5
151.00366	0.6
161.04538	1.3
179.03468	0.7
179.05624	1.5
183.06616	0.6
191.05632	1.0
203.07326	0.8
217.12325	0.4
221.08231	1.3
242.80743	0.5
249.06091	2.9
257.75290	0.5
295.12189	4.1
296.12546	0.5
321.13727	0.7
365.12280	1.3
383.13806	100.0
384.14172	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1501
Annotation	CP-Dpm-GA
Peak:m/z	Relative Intensity
52.11750	0.4
52.86471	0.3
55.65167	0.4
57.03434	0.5
59.01379	1.1
60.62418	0.3
61.98830	1.5
63.02395	1.5
65.00327	1.4
67.19498	0.4
69.87503	0.3
70.85133	0.3
71.01379	0.4
71.56322	0.9
83.01412	1.9
89.02470	0.6
95.01401	1.1
95.96048	0.4
105.07098	0.4
107.01385	2.8
108.02215	0.8
109.02966	1.2
111.00903	0.9
119.05019	0.8
123.00893	1.3
124.01682	5.3
125.02462	7.3
126.02726	0.5
135.00932	1.4
136.01721	0.5
137.02441	1.5
141.07118	0.4
143.05017	0.5
145.06586	0.6
149.99557	0.4
151.00372	5.1
152.01164	5.0
155.04973	0.5
158.07364	0.4
161.02461	1.5
167.08693	0.5
169.01485	0.4
171.04501	0.8
175.04012	0.7
177.01971	1.3
183.08142	0.9
185.06049	0.9
187.03934	0.9
189.05605	0.8
190.02702	0.9
191.03526	0.8
193.32043	0.4
199.04030	1.3
199.07629	0.8
200.08405	2.0
201.01956	0.7
203.03522	0.6
209.06104	0.7
211.07634	1.7
211.80476	0.4
213.05536	1.0
214.02713	1.2
215.03500	10.9
216.03964	0.8
217.05081	0.6
225.05516	0.5
225.09171	0.5
227.03526	1.4
227.07124	3.2
228.04126	0.4
229.05090	2.0
236.08334	0.4
239.03564	0.5
240.04259	2.1
241.05054	8.9
241.08745	1.0
242.05609	1.4
242.09457	0.6
243.02982	79.1
244.03418	7.3
252.07883	1.4
253.05061	0.9
253.08699	1.8
254.05826	2.9
255.06625	60.2
256.06967	5.2
269.08179	34.2
269.11328	0.6
270.08902	18.1
271.06448	0.5
271.09216	2.0
285.04059	0.5
297.07877	0.5
299.05618	2.5
302.08026	1.0
313.07169	0.8
314.07986	14.5
315.08316	1.1
339.16040	9.5
340.16461	0.9
341.17871	0.4
354.67899	0.4
383.15002	100.0
384.15344	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	382.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86318	0.4
51.93938	0.5
61.98832	100.0
69.62951	2.0
69.63380	1.6
94.62470	0.5
98.19908	0.9
101.00515	0.4
144.37471	0.5
147.56894	0.5
166.29680	0.4
184.60037	0.4
340.38925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53676	0.3
57.03442	0.4
59.01372	1.0
67.01878	0.4
71.01389	0.7
71.33610	0.6
73.02968	0.3
81.03453	0.3
83.05052	0.2
85.02961	7.6
87.00851	1.2
93.03465	2.4
96.87997	0.2
99.04520	0.4
104.88356	0.2
109.02969	0.7
111.04542	0.8
127.04037	2.1
127.13560	0.2
131.50813	0.3
148.90726	0.2
170.40623	0.2
171.03017	0.5
173.04556	1.1
191.05627	100.0
192.05980	5.3
216.87480	0.2
222.07640	0.3
315.37598	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	383.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00382	0.2
59.01379	0.9
64.97040	0.2
69.90804	0.7
69.91232	1.0
71.01377	0.6
81.03455	0.4
83.04995	0.3
85.02956	6.4
87.00878	1.4
93.03471	2.3
98.20540	0.3
99.04565	0.3
103.78654	0.2
109.02979	0.5
111.04538	0.8
112.98829	0.3
127.04046	1.5
136.34976	0.2
171.03050	0.6
173.00941	0.4
173.04568	1.1
191.05629	100.0
192.05963	4.6
401.30933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69498	0.4
55.01880	0.6
58.00597	2.2
59.01381	53.0
59.71639	0.4
61.14128	0.4
61.98846	2.4
67.58239	0.5
71.01389	28.3
72.99308	2.0
73.02953	1.1
74.99086	0.6
77.03314	0.4
83.01389	1.0
85.02960	5.7
87.00887	5.5
89.02456	36.5
95.01398	1.3
95.86084	0.4
99.00883	0.4
101.02460	20.3
113.02472	11.5
115.05909	1.3
119.03521	14.5
125.09758	1.0
131.03513	1.1
133.06924	1.3
135.04552	1.0
143.03503	1.3
149.04556	0.8
151.00398	0.5
161.04576	1.4
161.37759	0.5
179.03525	0.5
179.05582	1.6
187.09773	0.6
189.02046	1.1
203.07358	0.8
221.08241	1.3
229.38617	0.6
261.13376	0.6
295.12234	5.0
329.02158	0.5
383.13824	100.0
384.14111	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22655	0.4
57.03437	0.4
57.97564	0.5
58.68681	0.4
59.01382	100.0
60.01715	1.5
61.98833	4.7
69.36454	0.9
69.36864	3.9
71.01380	4.0
73.02960	1.5
83.01404	1.2
85.02959	2.0
89.02473	0.6
99.00900	0.7
101.02457	2.8
113.02477	1.5
132.04895	1.0
146.53128	0.5
147.04674	0.7
149.58482	0.4
161.04573	3.8
209.08234	0.5
217.05167	0.6
217.08669	0.8
218.05901	0.5
219.06572	0.5
233.08191	3.3
261.07657	3.7
262.08041	0.4
283.02649	0.5
321.19214	12.5
321.22827	0.7
322.19687	0.9
381.12051	2.9
381.19473	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	382.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.1
59.01374	3.7
61.98836	10.8
69.66276	7.7
71.01376	1.0
71.05035	4.1
75.00867	0.8
83.01381	1.1
85.02954	1.2
95.05035	12.8
97.02960	19.3
99.55325	0.9
107.01350	1.1
109.02972	14.6
115.04017	2.6
121.02973	1.2
123.00872	1.2
124.01667	1.2
125.02460	2.6
137.02446	2.7
139.04036	55.7
140.04337	2.0
151.00336	3.4
151.04070	1.1
153.01961	38.4
154.02231	1.7
165.01965	18.5
166.02321	1.1
181.05046	1.5
182.05327	1.1
183.03008	100.0
184.03362	5.6
210.32385	0.9
221.08214	1.5
225.04128	1.1
319.04602	13.4
320.04932	1.0
371.03296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1195
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
58.56657	0.2
59.01395	1.2
60.32582	0.2
61.98823	0.3
65.75605	0.2
69.76923	1.7
71.01396	0.5
73.52562	0.2
77.03980	1.4
79.01899	0.6
85.06582	0.4
105.03472	0.9
107.01386	0.6
109.06605	1.0
111.04549	1.6
121.02950	1.3
135.08163	0.2
137.06137	0.2
147.08176	0.4
149.02464	3.4
153.05565	0.6
159.04526	0.3
161.02473	0.9
162.03203	0.3
163.00291	0.4
163.04016	2.1
165.09200	0.5
173.06075	0.5
174.03175	0.4
174.06830	0.5
175.00357	0.3
175.03955	0.8
179.03537	0.5
181.05078	0.5
183.10324	0.6
189.05580	0.3
189.09169	0.8
190.02716	0.7
191.03494	0.7
193.08708	0.6
200.01221	0.2
202.06270	0.2
203.03511	0.6
216.00635	0.7
217.05067	9.1
217.08525	0.4
218.05853	24.2
219.06323	3.0
231.06631	0.4
232.07286	0.3
233.08195	72.8
234.08548	6.2
243.06648	3.2
244.06908	0.2
245.08125	0.8
258.05042	0.2
259.06161	0.9
261.07675	100.0
262.08008	10.2
264.06360	0.7
273.07745	3.3
291.08752	2.7
291.33667	0.3
381.11914	64.6
382.12268	8.4
382.16153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Xerophilusin V
Peak:m/z	Relative Intensity
53.52217	0.4
55.01879	3.7
55.66929	0.4
57.03447	0.8
59.01372	2.4
61.48972	0.5
61.98835	0.8
68.99821	1.8
69.03443	1.5
71.01385	3.6
71.04996	0.7
71.65895	0.8
73.02965	0.7
81.03464	1.7
83.01401	2.5
83.05046	0.5
85.02947	3.1
87.00881	0.8
87.04535	0.7
95.01387	1.1
95.05064	0.5
96.96027	0.5
97.02956	2.0
99.00887	5.4
99.04554	0.4
99.08179	0.9
101.06097	1.4
108.02182	0.6
109.02958	1.4
109.06599	6.0
111.00922	1.1
111.08190	0.9
123.00891	3.5
124.01676	0.8
125.02491	2.1
125.06101	54.2
125.09711	1.3
126.02673	0.5
126.06421	2.3
127.07651	2.7
135.08157	0.4
136.24451	0.5
137.09721	1.1
138.03290	0.4
139.07697	0.6
141.01962	14.0
151.00352	0.4
153.01971	0.9
153.09222	1.8
155.03494	1.6
155.07129	3.9
167.03473	0.7
169.08722	1.7
179.07158	0.5
181.05176	0.5
181.08717	9.3
182.09039	0.7
183.06641	32.2
184.06992	2.1
193.08768	1.0
195.06682	3.4
197.08255	2.8
207.06622	0.7
209.08199	6.0
210.05365	1.1
219.06714	0.5
220.02039	0.5
224.06667	0.4
225.07689	54.7
226.08014	3.9
227.12993	0.6
237.07651	3.1
249.05913	1.6
251.12810	0.6
261.07767	0.5
279.12338	1.7
293.13916	2.1
318.03415	0.6
319.19315	0.5
335.18634	2.1
337.20233	0.6
353.19519	0.6
363.18143	27.6
364.18491	3.1
381.19183	100.0
382.19516	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	380.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01377	20.3
60.01712	1.7
61.98831	7.6
63.02396	2.7
65.00341	3.2
69.25761	1.1
71.01401	7.9
73.02942	4.3
80.32737	1.2
82.98631	1.2
83.01411	6.0
85.02963	5.3
87.00872	1.3
89.02470	2.3
95.01405	5.5
95.03869	1.2
96.96021	2.5
97.02946	1.5
98.19860	3.3
99.00896	1.7
101.02469	6.8
107.01386	9.5
108.02228	1.7
109.02971	64.3
111.00903	1.5
113.02489	1.9
122.07831	1.0
124.01685	3.9
125.02473	7.6
129.46185	1.1
135.00897	7.1
137.02446	1.2
151.00383	33.3
152.01190	16.8
153.01961	29.4
153.03134	2.5
154.02319	1.3
156.40434	1.5
161.02487	2.5
161.04585	3.5
163.00397	58.2
164.00870	3.4
169.01453	3.6
175.04120	2.1
178.99890	28.1
179.12842	1.4
181.01373	2.3
183.04474	1.9
187.03999	2.1
189.01976	2.7
190.99879	40.7
191.05519	1.8
192.00212	2.2
199.03920	2.2
203.03491	2.9
206.99355	30.0
207.02731	1.1
208.00133	15.8
211.04028	5.3
213.01927	1.6
217.05107	1.9
227.03503	12.4
231.02945	5.2
243.02927	1.7
245.04591	3.6
249.13416	10.6
255.02962	13.3
256.03232	2.6
271.02524	5.1
273.04050	6.0
286.09027	1.8
299.01990	15.9
300.02194	1.2
317.03036	100.0
318.03400	10.0
353.08832	1.3
381.17642	12.7
404.08273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
53.98997	0.4
57.03452	0.5
58.00608	0.5
59.01382	17.0
61.98846	0.9
69.67229	3.1
71.01389	30.9
71.05026	6.1
71.83768	0.4
72.99313	0.9
73.02953	1.6
75.00893	0.6
79.95756	0.5
81.03468	0.8
83.01402	1.1
83.05037	3.4
85.02953	3.3
87.00916	0.6
88.04048	5.6
89.02456	8.8
93.03464	0.5
95.01387	0.7
96.96025	0.4
99.00874	0.4
99.04536	1.8
101.02457	8.6
101.06091	0.7
113.02477	4.1
116.03531	0.7
116.07177	1.1
119.03499	3.1
120.99654	0.5
124.52678	0.4
128.07169	2.2
129.05600	0.9
135.04535	1.4
145.03004	0.6
145.05067	1.7
146.08252	57.6
147.08597	2.1
159.02957	0.4
161.04608	1.6
163.04021	1.5
173.04549	0.5
174.11354	0.6
179.03546	0.8
190.45226	0.4
191.05640	1.4
200.09270	1.2
207.02925	0.6
218.10355	1.2
219.08755	2.7
239.97432	0.4
263.11407	0.6
308.13544	5.4
320.14154	0.4
362.14883	1.9
380.15634	100.0
381.08798	0.6
381.16010	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	380.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84088	1.3
53.71090	1.3
57.03441	2.9
59.01384	23.2
60.01698	1.4
61.98837	11.3
63.02384	2.5
65.00333	4.1
70.29017	3.3
70.29439	4.5
71.01398	2.5
71.05042	1.6
83.01405	8.8
85.02952	2.1
89.02452	1.4
91.01897	2.0
93.03448	1.6
95.01376	5.5
96.99368	1.6
107.01411	11.3
109.02968	73.4
110.03284	3.0
113.02467	1.6
119.41844	1.3
119.61188	1.2
123.00911	3.0
124.01687	3.1
125.02454	10.0
125.06140	3.7
133.02933	1.7
135.00934	7.2
137.02452	1.9
151.00389	38.5
152.01166	15.2
153.01959	27.1
161.02441	2.0
163.00386	58.9
163.04083	1.9
164.00864	4.3
167.75352	1.5
169.01418	3.8
175.03984	2.6
178.99866	26.2
181.01447	3.0
183.04466	3.2
190.98175	3.0
190.99875	47.7
192.00305	1.6
196.14720	1.4
199.03944	2.9
203.03506	2.2
206.97560	2.6
206.99374	32.0
208.00075	16.9
211.04012	4.5
213.01991	2.2
217.05154	2.7
219.06538	2.4
225.07727	4.5
227.03506	13.5
230.02249	2.1
231.02960	4.7
243.02921	2.8
245.04550	4.1
255.02945	16.6
258.01605	2.3
263.12933	2.0
271.02463	13.2
272.03018	1.9
273.04044	6.1
293.13812	2.0
299.01956	28.8
300.02625	8.6
317.03024	100.0
318.03406	11.9
363.18213	2.7
380.17630	2.6
381.19119	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	379.2128
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
57.03452	4.7
57.87867	0.4
59.01395	2.3
63.14955	0.4
69.14975	0.4
70.47755	1.3
70.48128	0.6
71.05025	10.8
81.03481	0.4
83.01390	2.1
83.05028	0.7
85.02960	50.2
86.03287	1.1
87.00877	3.0
93.03434	0.5
95.01417	0.4
96.59175	0.4
97.06567	0.4
98.54594	0.3
99.08170	24.2
100.08505	1.1
101.06087	3.6
109.02975	0.8
111.04589	0.4
112.05309	1.0
113.06130	0.5
125.06096	4.1
127.07665	6.9
128.08031	0.6
136.43909	0.3
137.09761	1.7
139.04059	0.5
141.09232	1.1
149.09712	1.0
151.07664	2.1
153.05571	3.3
153.09183	0.5
156.05225	0.3
165.12843	0.8
165.61510	0.3
169.08720	33.7
170.09059	2.0
179.07239	0.3
185.63341	0.4
189.12827	1.0
191.10728	1.0
193.12340	0.4
206.09431	0.4
206.99181	0.4
207.13918	2.9
208.14281	0.4
209.11821	1.6
223.09743	2.7
224.10062	0.5
225.14966	3.0
227.12891	2.3
235.09750	0.4
235.21091	0.4
251.12888	1.2
277.14392	2.6
279.12411	2.8
291.19733	0.5
295.03394	0.4
295.15503	2.0
303.12314	2.3
309.20706	3.4
335.18579	0.5
343.08261	0.8
361.20242	3.1
362.20462	0.6
365.71091	0.4
379.21304	100.0
380.00073	0.5
380.21634	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	379.2128
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
55.01888	0.5
57.03442	2.3
59.01369	1.7
61.98822	0.5
64.22789	0.4
69.93378	0.3
70.64304	1.2
71.05019	2.0
81.03490	0.5
85.02960	0.9
85.06594	6.3
85.33224	0.4
87.04533	1.1
95.05034	1.0
97.02974	0.5
97.06602	1.7
99.08165	5.9
101.06087	3.1
104.95592	0.4
105.69711	0.4
107.05018	0.6
109.02984	0.8
111.04533	4.2
120.05788	0.6
121.06599	0.7
123.04561	0.5
123.08176	11.0
124.08504	0.6
125.06093	1.4
125.09766	2.4
135.08157	0.5
137.02449	1.0
139.03946	0.4
139.07623	0.5
139.11258	0.7
141.09222	3.7
149.09705	0.8
150.06891	0.5
151.07661	0.9
153.12898	0.7
155.10757	0.6
163.11334	0.4
165.05530	0.8
165.09216	2.0
166.02725	0.5
167.07175	0.8
175.11298	2.1
179.07175	0.5
180.07507	0.6
181.05273	0.5
181.07578	0.5
181.12375	1.6
183.06618	0.6
184.06958	0.9
189.09280	0.5
191.10732	1.0
193.12358	1.4
194.05882	0.3
195.06589	1.5
208.07422	2.1
209.08197	4.7
210.08479	0.4
211.13388	0.7
217.12393	0.5
219.13911	1.9
221.08212	0.9
223.06125	1.0
223.09712	1.1
225.07164	0.6
226.07452	1.2
235.09752	11.9
236.10135	1.3
261.11356	0.7
263.12823	3.0
267.15961	0.9
289.21716	0.8
307.22760	7.4
308.22928	0.9
311.54892	0.4
317.21262	1.6
319.18195	0.5
335.22217	0.5
341.17566	0.6
343.19113	5.4
344.19427	0.7
361.20126	25.3
362.20508	3.2
379.21146	100.0
380.21848	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
55.60890	0.3
57.03449	2.9
58.22517	0.2
59.01364	0.5
69.67061	2.5
71.05017	0.7
75.95959	0.3
79.01888	0.3
85.06602	2.5
87.04539	0.6
95.05003	0.7
97.02975	0.3
98.20660	0.5
107.04998	0.4
109.06624	0.3
111.04537	3.4
111.08154	0.6
121.06627	0.4
123.08184	8.6
124.08525	0.5
128.54150	0.3
135.08150	1.0
138.03229	1.0
141.09250	3.4
149.09749	2.8
150.06856	0.4
152.07552	0.2
155.83360	0.3
165.05676	0.3
165.09178	0.8
165.12703	0.2
166.02728	0.6
167.07106	0.4
167.10796	1.0
189.12897	0.6
191.07079	0.5
191.10844	3.1
203.14427	0.4
205.12311	0.4
208.07436	2.9
209.08095	0.7
211.13486	0.6
215.10541	0.4
217.12349	0.6
219.06470	0.4
221.08231	0.5
233.08232	0.4
233.11830	2.9
235.09738	1.2
249.11356	1.0
250.11400	0.4
257.15457	2.3
259.09717	0.4
259.17032	3.3
260.10510	0.4
260.17285	0.4
261.11346	2.6
267.16028	0.8
275.12863	1.1
285.15027	0.9
291.16113	0.3
303.16022	40.7
304.16324	5.0
309.16919	0.4
317.21304	1.7
335.22299	1.0
343.19189	0.3
361.20200	24.5
362.20557	2.9
379.21277	100.0
380.21631	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53657	0.1
55.01867	0.7
57.03447	4.1
59.01350	0.6
61.98820	0.2
71.01375	0.2
71.04995	0.6
73.02927	0.1
75.98911	0.1
78.97620	0.2
79.01891	0.2
79.05519	0.3
80.02661	0.2
81.03456	0.4
81.07080	0.2
83.01360	0.3
83.05013	0.2
85.02953	2.0
85.06149	0.2
85.06603	2.5
87.04509	0.4
87.91885	0.2
89.48008	0.2
97.02953	0.3
97.06595	0.4
99.08152	0.8
101.06097	0.3
105.07080	0.3
107.05025	0.8
108.02246	0.2
109.02942	0.3
109.06586	0.6
111.03791	0.3
111.04535	3.7
111.08144	0.4
118.35432	0.2
121.06592	0.7
123.04507	0.3
123.08183	11.8
124.08475	0.6
125.06080	0.7
125.09731	0.2
135.08160	0.7
136.74512	0.2
137.02507	0.2
138.03195	0.5
139.03989	0.5
141.09232	3.2
145.02968	0.2
147.08125	0.3
149.06085	0.5
149.09738	3.5
150.06775	0.2
150.10071	0.3
151.11302	0.3
153.09216	0.4
161.09744	0.3
163.07639	0.3
165.02000	0.3
165.09187	0.6
165.12862	0.3
166.02737	0.8
167.07114	0.8
167.10796	1.0
169.08775	1.2
177.09247	0.2
179.07144	0.3
189.09256	0.2
189.12857	0.6
189.42365	0.2
191.07079	0.3
191.10794	2.1
193.05130	0.2
201.12764	0.3
202.69498	0.2
203.14328	0.5
207.06679	0.3
207.10260	0.2
208.07414	2.0
209.08133	0.6
209.11810	0.2
211.13417	0.8
215.10895	0.4
216.11365	0.2
217.12320	0.4
219.06519	0.3
219.13840	0.4
223.09688	0.6
227.38492	0.2
231.13934	0.3
233.08179	0.4
233.11841	2.3
234.12282	0.2
235.09753	1.0
247.09607	0.2
248.10670	0.3
249.11232	0.6
249.14986	0.4
253.10875	0.3
257.15411	1.4
258.16010	0.2
259.09793	0.3
259.16943	2.2
261.11270	1.9
262.11588	0.2
267.15982	0.7
275.12888	1.0
277.14459	0.2
285.14899	0.8
291.15808	0.3
303.16025	33.0
304.16351	3.7
309.17224	0.3
315.19885	0.2
317.21222	1.5
335.18716	0.3
335.22281	2.0
336.22525	0.3
361.13638	0.3
361.20212	17.1
362.20612	2.2
379.21280	100.0
380.21637	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	379.2131
Annotation	CHEBI:67681
Peak:m/z	Relative Intensity
53.06876	0.5
56.81455	0.4
57.03452	5.8
59.01385	5.5
61.98831	1.2
65.81083	0.4
68.99808	0.5
69.03468	1.1
69.49065	0.5
71.01393	0.6
71.05026	11.1
71.05396	0.9
71.72115	0.6
83.01408	1.8
83.05036	0.8
85.02962	53.9
85.06623	0.6
86.03312	1.1
87.00880	2.4
95.05028	1.0
97.06627	0.9
99.04543	0.5
99.08172	22.2
100.08521	1.2
101.06108	4.8
101.93848	0.5
109.02970	1.7
109.06616	0.7
111.04527	3.0
112.04797	0.5
121.02917	0.5
121.06615	1.1
123.04604	0.7
123.08205	1.5
124.01725	0.4
125.06088	2.2
127.07687	8.6
128.07971	0.6
132.75006	0.5
137.02460	0.9
137.09758	1.5
139.04083	1.0
139.07701	1.3
141.09274	2.0
149.09784	1.2
151.04073	0.5
151.07643	2.8
153.05617	2.8
153.09193	0.9
157.12424	0.9
163.00529	0.5
165.12877	4.4
167.10735	0.5
169.08723	39.1
170.09122	1.7
183.06656	1.3
207.06664	1.1
207.13971	2.0
209.11914	1.9
221.08261	1.2
225.14995	1.8
227.12881	0.9
235.13359	0.6
259.13480	0.6
263.12939	0.6
275.12851	0.5
276.20023	0.5
277.14505	2.7
278.14941	0.5
279.12436	2.8
295.15616	2.6
309.20828	1.4
317.03152	1.0
335.18665	1.4
343.08322	1.2
361.16379	0.6
361.20331	2.4
362.21106	0.7
379.17624	7.8
379.21371	100.0
380.17706	0.9
380.21707	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	379.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33647	0.2
57.03440	1.6
59.01379	100.0
60.01718	1.2
61.98826	1.2
63.29296	0.2
68.61501	0.2
69.03473	0.3
71.01390	0.7
71.05020	1.2
71.72076	0.4
71.72513	0.4
73.30350	0.2
81.03469	0.4
83.01394	3.5
83.05058	0.3
85.02969	0.3
87.04530	0.3
95.05051	0.8
96.96033	0.5
97.02984	0.4
98.03784	0.6
107.01415	0.6
107.05093	0.3
109.02953	2.8
111.04521	0.3
123.00936	0.4
124.01734	0.3
125.02474	0.7
135.08174	3.8
137.02481	0.6
140.97281	0.2
151.00389	1.8
152.01205	0.9
153.00883	0.3
153.01907	1.2
155.08716	0.3
163.00400	2.9
173.09760	4.0
174.10100	0.4
175.11324	1.5
178.99886	1.6
180.02095	0.2
190.99840	2.2
193.12357	0.6
201.12935	0.5
206.99353	1.7
208.00117	0.6
211.03990	0.3
227.03574	0.5
227.14493	0.6
233.15453	0.3
245.15434	5.7
245.17836	0.3
246.15874	0.8
255.03014	0.6
263.16510	7.6
263.19196	0.4
264.16974	0.9
273.04178	0.3
277.11337	0.4
277.14566	1.7
299.02179	0.7
307.15564	2.6
307.18997	0.5
308.16006	0.7
317.03046	4.5
335.14630	0.3
335.18774	0.6
361.16428	0.3
379.17413	6.4
379.20828	1.0
380.18140	0.6
380.22324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2129
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
51.11029	0.2
55.01879	0.6
57.03448	5.5
59.01370	0.7
70.48570	0.9
71.01391	0.4
71.05017	0.8
73.02956	0.5
79.01894	0.3
81.03453	0.6
83.05026	0.8
84.91850	0.3
85.02941	0.9
85.06598	1.6
87.00880	0.8
87.04510	0.5
97.02932	0.3
97.06612	0.6
99.08156	0.3
107.05025	0.6
107.13518	0.2
109.53963	0.2
111.04535	2.6
111.08179	0.6
119.21719	0.2
121.06602	0.8
123.04481	0.3
123.08178	17.1
124.08487	0.7
125.06076	0.5
125.09750	0.4
135.08142	0.3
137.02394	0.3
139.04059	0.6
141.09239	2.8
147.08162	0.3
149.06078	0.3
149.09738	4.3
150.10023	0.3
151.03975	0.5
151.11295	0.4
158.98610	0.2
163.11217	0.3
165.09203	1.5
166.02690	0.3
166.09526	0.3
167.07164	0.8
167.10788	1.0
169.08673	0.5
179.03616	0.3
180.04276	0.5
189.12856	0.5
201.12920	0.3
207.06633	0.5
208.07341	1.2
209.08183	5.3
210.08679	0.5
211.13425	0.8
219.13966	0.6
221.08218	2.0
222.08794	0.7
233.11702	0.6
241.15828	0.5
256.01575	0.3
259.17001	0.8
267.15967	1.1
277.18091	0.3
303.15985	1.8
309.17038	1.8
317.21194	0.7
335.22202	0.9
342.48532	0.2
361.20142	1.8
362.20554	0.4
379.21255	100.0
380.21597	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	379.1766
Annotation	Euperfolitin
Peak:m/z	Relative Intensity
55.01871	1.4
57.03176	0.5
57.03446	6.2
59.01379	8.6
61.98846	2.2
67.01918	0.5
69.03452	2.1
71.01379	3.7
71.05024	2.6
71.72303	0.7
73.02941	1.8
79.05535	0.9
81.03461	3.8
83.01397	38.5
83.05021	2.0
84.01723	0.6
84.02183	0.5
85.02956	2.3
85.06574	0.8
87.00903	0.6
90.09824	0.5
93.03445	0.5
95.01388	1.1
95.05058	2.5
97.02970	1.2
97.06595	2.0
98.03722	0.8
99.04525	1.2
102.87023	0.4
107.01406	1.0
108.02187	0.9
109.02960	8.1
109.06599	1.7
111.04526	1.7
111.08195	0.6
112.24640	0.6
113.02484	0.6
113.06081	0.5
121.02960	0.9
121.06561	0.5
123.00906	8.2
123.04518	2.7
123.08165	1.7
124.01653	1.7
125.02435	2.1
125.06085	1.5
125.09647	0.5
129.05653	0.5
133.06668	0.8
135.00941	0.6
135.08174	4.6
137.02461	6.9
137.06038	0.8
137.09761	0.6
138.03262	4.2
139.04030	0.9
141.05602	3.2
143.07167	0.6
149.09737	0.7
149.67041	0.5
151.00375	3.9
151.04005	1.4
151.07637	1.4
151.11267	1.7
152.01189	1.6
152.11359	0.6
153.01938	3.4
159.04524	0.5
161.02509	0.6
161.09717	0.5
163.00417	6.6
163.11263	0.7
169.08708	0.6
170.02216	1.5
171.08209	0.8
173.09738	3.8
175.11270	1.0
177.12862	0.7
178.99886	3.8
190.99889	4.2
193.12334	2.7
206.99374	4.0
207.10191	0.5
208.00079	1.6
211.04187	0.5
211.13387	3.7
214.39496	0.5
217.08763	0.6
223.13441	1.1
227.03513	1.1
227.14339	1.1
231.02837	0.6
245.15479	4.9
249.11328	1.1
249.14987	0.8
255.02957	1.9
259.13342	2.7
261.18570	0.5
263.16537	7.2
264.16791	0.8
271.02579	0.7
276.13632	0.9
277.14438	33.4
278.14752	3.7
295.15442	1.1
299.01971	2.0
307.15717	2.5
307.18906	0.7
317.03043	13.0
317.17661	3.1
335.18658	10.5
336.18961	1.2
361.20190	0.6
379.17569	100.0
380.17874	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	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03449	2.0
57.93619	0.5
59.01382	24.3
61.98833	0.9
65.13903	0.4
67.01894	0.8
67.44313	0.5
68.15585	0.4
68.99820	0.7
69.03459	0.5
71.01390	15.0
71.04216	1.0
71.04580	0.8
72.01715	0.5
72.99316	4.0
73.02957	1.6
75.00881	14.2
83.01395	1.0
85.02963	18.8
87.00885	6.6
89.02452	5.6
91.04001	0.5
95.01398	4.1
99.00897	8.4
103.00397	1.7
109.02969	0.7
113.02470	19.3
115.00416	1.7
117.01986	2.3
119.03524	0.6
127.63872	0.4
129.01964	1.7
129.09239	100.0
130.09589	3.5
147.43089	0.4
157.01398	0.5
167.90721	0.4
168.63591	0.5
175.02483	2.3
205.07225	1.3
223.08212	0.6
231.05078	1.7
249.06160	15.8
250.06413	1.0
267.07260	3.0
288.33951	0.5
319.14105	1.0
361.15125	2.6
379.16119	83.2
380.16513	10.3
390.82053	0.5
401.28333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21832	0.4
57.03455	0.6
59.01381	100.0
60.01714	1.3
61.98840	4.9
71.01395	5.9
73.02948	0.6
75.00904	0.6
78.91911	1.2
85.02979	2.0
87.00886	1.1
89.02456	5.8
95.01389	0.5
101.02449	4.1
113.02473	4.3
119.03501	2.6
131.03522	1.4
135.04523	2.5
137.06110	0.5
137.09734	5.0
143.03598	0.6
149.04660	0.8
155.10872	0.8
157.08723	56.3
158.09019	2.4
161.04607	2.3
171.10327	0.8
172.53734	0.4
179.05693	1.1
181.08752	0.5
191.05617	1.1
193.03365	0.6
195.08417	0.5
199.09821	3.1
217.10852	5.6
247.11777	1.0
319.13928	2.7
331.12238	0.7
379.15985	4.9
380.16687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	65.9
60.01727	1.2
62.67936	0.5
71.01392	5.0
71.48275	0.9
73.02958	1.4
80.79784	0.5
83.05045	0.5
85.02969	1.5
89.02448	4.0
92.03399	0.5
97.02946	0.7
101.02448	2.7
106.53604	0.5
111.08183	0.5
113.02470	4.5
119.03523	2.5
127.07698	4.2
136.20790	0.6
139.07671	4.0
149.04674	0.5
153.09206	0.8
154.01501	1.0
155.10811	0.8
157.08723	100.0
158.09056	4.4
161.04590	1.4
167.83864	0.6
171.10301	1.4
178.58412	0.6
181.08711	1.7
199.09760	3.0
215.09044	0.7
217.10893	3.7
229.10834	1.1
269.34003	0.5
301.07120	1.2
316.09476	0.6
319.13934	1.1
331.11957	2.0
336.28799	0.6
347.21524	0.5
379.16272	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	67.6
60.01719	1.4
71.01383	5.3
71.03488	1.0
71.03839	1.4
73.02944	1.3
79.94234	0.5
85.02972	2.0
89.02444	4.5
95.01417	1.0
95.17317	0.6
101.02467	4.4
109.06578	0.7
111.08124	1.0
113.02457	5.3
119.03538	3.6
125.17160	0.7
127.07651	3.1
139.07643	4.2
153.09248	0.7
155.10791	1.3
156.50592	0.6
157.08722	100.0
158.09106	4.9
161.04538	1.5
171.10309	1.6
174.20636	0.6
181.08740	1.6
191.05682	1.2
199.09752	3.5
211.09712	0.8
217.10788	2.0
217.24210	0.6
301.07352	1.0
319.13922	1.3
331.11847	1.4
356.95184	0.7
366.13443	0.6
379.16171	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	379.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63622	0.3
59.01373	1.0
69.54169	2.2
69.54585	0.8
79.01891	0.4
91.17674	0.3
106.60067	0.3
122.36025	0.3
131.81171	0.3
137.02538	0.4
145.02979	0.5
167.05016	0.9
183.04521	1.2
184.75298	0.3
195.04530	1.0
199.04037	0.8
221.08209	0.8
222.03383	0.4
222.08566	0.7
223.04036	4.7
224.04358	0.5
225.02135	0.5
227.03442	2.0
253.18829	0.3
255.02983	58.2
256.03333	4.9
267.02975	100.0
268.03314	9.3
281.04553	4.7
291.06747	0.5
293.08154	2.4
294.14432	0.7
295.06073	4.4
296.06604	0.5
309.07681	0.9
310.08478	58.8
311.08829	7.2
332.62991	0.3
342.07645	0.8
379.15570	3.9
379.21176	2.5
380.15866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.6
59.01374	20.5
71.01389	47.2
71.71182	5.9
72.92822	4.2
74.75484	3.7
75.00880	4.0
77.92719	4.3
83.01403	11.4
85.02942	7.1
85.98301	4.0
89.02456	17.4
95.89851	4.2
96.96982	6.2
99.00897	50.3
101.02444	8.2
101.31786	4.2
109.95478	4.5
111.00882	15.3
112.98830	99.7
113.02464	7.0
115.00415	7.5
119.03459	4.7
124.98847	5.5
129.01961	12.1
133.43391	4.1
139.55968	5.0
142.99876	80.0
145.01422	9.4
157.29620	4.0
163.96602	4.6
173.00945	100.0
173.02365	8.4
173.04552	8.0
178.62317	4.1
179.05609	5.3
205.03441	6.3
217.02971	9.5
267.25638	4.3
285.13019	4.4
319.08795	9.1
332.66949	4.1
341.10928	41.8
342.11414	5.0
379.08252	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.8
60.99309	13.7
61.98820	1.3
69.90864	2.9
71.01389	1.1
77.09525	0.5
81.81190	0.5
88.98817	100.0
89.02465	1.5
89.99151	2.1
97.06601	0.6
101.02451	0.8
109.02951	1.2
113.63667	0.5
125.02491	0.9
136.19624	0.5
139.65611	0.5
142.24184	0.6
155.10785	1.5
157.08716	1.9
181.08662	0.9
199.09756	1.0
217.10840	6.2
218.11224	0.9
257.10266	1.8
289.07187	2.9
379.16299	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	379.115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03140	1.4
54.42612	1.5
59.01377	73.7
61.98830	3.9
68.99798	4.3
70.58034	5.3
71.01392	12.6
72.99291	2.1
73.02950	4.9
75.00870	2.4
80.05063	48.7
85.02961	5.1
89.02425	9.0
95.03780	2.5
101.02459	8.2
104.05090	10.0
106.06638	4.3
107.05064	1.8
108.02148	1.4
108.04561	3.4
109.02951	1.6
111.04545	1.9
112.04042	6.7
113.02458	6.3
113.06084	2.3
119.03520	4.1
120.99617	2.2
121.05327	4.8
122.06139	46.7
124.04055	12.1
124.07706	13.8
129.05644	1.5
130.18697	1.4
132.04570	36.7
133.02937	1.7
133.04953	1.7
134.06129	6.3
135.04507	7.2
138.05605	6.7
140.07184	4.3
148.04063	50.0
148.05237	3.2
150.05632	50.5
151.03998	2.2
151.05981	3.2
153.04324	5.5
157.05083	2.0
160.04057	6.3
161.04810	16.3
162.05545	4.3
162.09142	1.5
166.05174	2.3
166.08752	3.8
168.06712	2.0
176.03513	13.1
177.04288	8.0
178.05101	8.1
183.06943	2.0
184.06137	12.9
188.10779	1.8
191.05641	3.4
192.03047	44.6
193.03447	2.2
194.04596	100.0
195.04926	4.9
199.09836	2.7
200.07187	9.9
201.07947	2.2
202.07172	4.8
204.10345	1.7
206.04591	2.9
212.05885	1.8
212.10809	20.8
213.10422	5.3
214.10831	1.8
217.10880	2.5
221.03336	4.4
226.07503	3.4
229.13443	4.4
230.11868	16.9
231.11342	16.1
239.08247	3.4
240.08981	6.4
255.11389	41.8
256.11694	4.8
267.07288	2.0
273.12463	23.8
299.10342	10.9
317.11438	12.7
318.13120	1.6
319.14005	10.7
343.09393	34.6
344.10056	3.3
361.10388	26.2
362.10794	3.6
379.11429	99.2
379.16101	27.2
380.11780	12.0
380.16086	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	378.068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67308	0.3
55.12069	0.3
56.93138	0.3
59.01380	4.0
61.98833	100.0
68.84910	0.4
70.88300	1.0
71.01382	1.8
78.95917	0.7
85.02976	0.8
87.00887	0.6
89.02447	1.6
96.96034	0.5
96.96996	0.6
99.47205	0.3
101.02465	0.6
108.02187	7.6
108.02879	0.4
109.02228	0.4
109.02969	8.1
109.06612	0.5
110.98487	0.4
111.00945	0.4
111.48142	0.4
113.02495	0.7
119.03544	0.4
129.00201	0.5
135.04533	1.6
136.04869	0.6
139.04085	0.5
148.04086	0.6
152.01183	6.8
153.01959	17.9
154.02309	0.9
157.05125	0.8
176.17613	0.3
179.05742	0.5
180.79546	0.3
186.40434	0.4
191.05597	0.4
194.04579	0.9
197.04631	0.5
198.04982	0.7
255.11336	0.4
315.07211	17.2
316.07703	1.6
341.10928	2.0
342.11362	1.0
378.09113	1.4
379.03876	0.4
379.07959	0.6
379.11951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90720	0.5
53.36606	0.5
55.01858	0.8
57.03442	4.2
59.01350	0.9
65.54737	0.7
71.05006	1.2
71.72884	0.9
76.11304	0.5
78.72023	0.5
79.01902	1.3
81.03444	0.9
83.05006	1.7
85.02974	1.2
97.06557	1.3
99.08151	0.7
107.05044	1.2
109.02939	1.4
109.06532	0.6
111.04524	2.1
121.06564	2.1
123.04584	0.5
123.08083	0.8
125.06097	4.3
137.09735	7.3
138.03215	1.3
139.07655	1.9
149.50664	0.5
151.04045	11.5
153.09253	0.6
155.10797	1.0
163.07741	1.1
164.95648	0.5
165.09163	1.8
175.11279	0.8
177.01971	0.8
179.10822	1.4
181.04678	0.6
182.02139	0.6
182.55142	0.6
183.06682	2.8
191.03479	0.6
191.07109	0.7
192.07785	0.7
193.12306	1.3
205.05069	1.5
207.13821	0.8
209.08109	1.9
210.08473	1.2
211.13353	0.7
219.06538	2.2
221.08194	2.3
223.09679	2.5
235.09645	2.3
236.10022	0.7
237.07588	1.6
238.08231	2.8
239.08704	2.4
245.15369	0.7
249.11304	1.4
265.14407	1.4
293.14017	3.4
308.16153	2.3
315.19666	1.1
319.15359	0.7
333.20554	1.0
359.18558	3.5
360.18982	0.7
377.19482	100.0
378.19846	11.9
378.23792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1971
Annotation	Nigakilactone A
Peak:m/z	Relative Intensity
55.01870	0.6
57.03452	4.8
59.01370	1.0
61.12348	0.2
61.98833	0.4
68.99799	0.3
71.05016	1.0
71.72530	0.4
73.03770	0.2
77.97112	0.3
79.01894	0.4
80.61842	0.2
81.03457	0.3
83.05034	0.2
85.06602	1.3
87.04533	0.7
95.05016	0.5
97.02964	0.5
105.07127	0.3
107.05057	0.9
111.04540	16.9
111.08174	0.6
112.04865	0.7
121.06599	0.9
123.08183	13.4
124.08482	0.5
125.06059	0.4
125.09758	0.4
133.76912	0.2
135.08176	0.7
139.04025	0.4
139.07686	0.5
141.01915	0.3
141.09242	0.9
145.02960	0.5
147.08182	0.4
149.06097	0.7
149.09691	0.3
150.06920	1.3
151.07654	0.8
151.11325	3.3
163.11288	0.4
165.09207	0.4
165.12796	0.7
166.92905	0.2
167.07172	0.9
175.11354	0.3
181.05154	0.4
183.06645	0.5
187.11243	0.3
195.06624	0.7
203.14406	0.7
205.05045	0.3
207.10144	0.3
209.11975	0.3
221.15457	5.5
222.15787	0.3
245.15477	0.7
247.13379	0.5
263.16669	0.4
265.14468	0.9
274.01218	0.7
275.16534	0.4
289.18079	0.6
297.18561	0.5
305.17719	1.3
307.15567	0.8
315.19659	0.9
318.18347	1.0
321.17041	0.3
333.17056	0.6
333.20755	2.2
359.18683	0.7
377.19720	100.0
378.20068	14.4
388.94580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03447	2.1
59.01371	3.4
68.99815	1.5
69.03434	0.7
70.49267	2.6
71.01392	2.2
71.05027	2.8
73.02976	0.7
79.01888	4.7
80.02711	0.6
81.03464	1.1
83.01405	1.3
85.02979	3.6
85.06598	15.4
86.06953	0.8
87.00903	1.0
87.04506	4.4
93.03486	1.2
95.01379	1.2
95.05038	2.2
97.02970	2.0
107.05034	1.0
109.02959	1.0
109.06579	1.1
111.00912	1.5
111.04531	28.1
111.08195	1.1
112.04860	1.5
113.02423	1.7
113.06097	1.9
121.06598	1.5
122.03794	0.9
123.04542	3.0
123.08183	12.6
124.01643	1.0
125.02468	13.0
135.04549	1.4
137.06070	1.4
138.03209	0.9
138.06870	3.4
139.04027	6.1
139.07664	2.0
140.55026	0.7
141.09239	9.8
147.08147	0.8
149.06042	1.0
151.00394	7.3
151.03992	3.4
151.07640	5.9
152.04794	0.9
152.08475	3.2
153.02078	0.7
155.07158	3.1
157.08728	1.0
163.04036	1.6
163.11299	1.0
165.05577	2.0
166.06345	1.9
166.10016	1.5
167.07196	4.1
167.08423	0.6
169.01433	1.3
170.02211	1.4
175.07664	1.8
176.08263	0.9
177.05598	11.3
177.09235	1.0
178.06287	3.0
179.03529	1.2
179.07031	0.9
180.04253	2.6
181.05054	4.7
183.06627	12.9
184.03824	1.3
189.09216	1.0
190.10005	0.8
191.07127	2.6
191.10762	1.1
192.07884	2.0
193.08701	1.2
193.12306	1.3
193.16025	1.1
194.05853	4.8
195.06628	100.0
196.06993	6.2
198.05379	3.8
203.07172	1.1
207.13882	2.0
208.07515	1.3
220.07222	1.2
221.04645	0.9
221.08160	13.2
221.15457	1.4
222.05333	2.9
222.08913	1.4
223.06113	10.5
224.06871	1.2
231.10342	1.8
233.08247	0.9
234.08965	1.5
235.09668	2.6
235.17056	1.8
245.15408	2.8
246.12521	5.6
247.13287	2.6
259.16919	1.8
265.14407	1.5
273.18573	2.1
277.18051	8.5
278.18372	1.0
287.20154	5.5
289.14542	1.5
291.12210	0.9
293.13925	13.2
305.17480	1.8
315.19629	13.6
316.19955	2.1
317.14185	0.9
317.17606	2.2
319.15442	2.4
321.17041	3.1
331.19202	1.9
359.18524	6.8
360.19315	7.0
361.19919	1.3
377.19650	46.4
378.20074	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93055	0.2
57.03453	0.7
59.01371	0.8
69.82431	1.6
85.02954	1.4
85.06593	1.3
87.04539	0.6
95.01411	0.4
95.05030	1.3
96.02155	0.4
97.02955	0.4
98.19868	0.4
111.04528	2.7
111.08144	1.2
113.02462	0.8
113.06105	0.8
124.05331	0.5
139.07660	3.2
140.60538	0.2
149.09709	0.3
155.07173	1.0
165.05577	0.9
165.09138	0.3
177.01971	0.3
178.06276	0.3
181.05064	0.8
183.06648	14.3
184.06995	0.6
190.09929	0.3
191.03462	1.4
191.07193	1.0
192.07928	0.9
192.73785	0.2
193.12306	0.7
195.06747	0.3
219.06680	0.6
220.07306	0.3
234.09009	3.2
245.15326	0.4
247.13469	0.7
265.14401	2.4
266.14832	0.3
290.15176	0.5
310.95511	0.2
315.19598	0.5
317.17648	2.4
318.18210	0.5
331.19174	0.9
333.20691	0.5
335.18619	0.6
359.18643	7.3
360.19028	1.1
377.19693	100.0
378.20035	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	377.1971
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
51.00532	0.3
57.03443	1.2
57.43307	0.4
59.01382	1.8
61.01920	0.3
69.84138	0.3
70.41711	1.1
71.01405	0.4
81.03444	0.4
83.01411	0.4
85.02956	2.7
85.06596	2.6
87.04543	2.2
95.01386	0.9
95.05051	2.7
96.02162	1.0
96.05372	0.3
97.02961	0.8
97.06604	0.5
98.19921	0.5
103.54325	0.3
108.02171	0.4
109.06638	0.4
111.04543	5.2
111.08168	2.6
112.04886	0.4
113.02454	1.7
113.06096	1.5
122.03797	0.8
123.04551	0.6
123.08168	0.9
124.05336	1.1
125.09762	0.4
127.79705	0.3
137.02480	0.6
137.06056	0.4
139.04030	0.3
139.07677	3.1
141.05609	0.7
141.09250	0.4
148.01630	0.9
149.02402	0.4
150.03246	0.5
155.07184	1.9
163.03943	0.7
164.04764	0.5
165.05615	1.7
165.09256	0.4
167.07132	0.5
177.01952	1.2
179.07123	0.5
181.05109	3.6
183.06641	20.3
184.06992	1.3
190.10110	0.4
191.03513	4.2
191.07109	1.8
192.04163	0.4
192.07950	1.9
193.12367	3.1
195.06676	1.0
203.14374	0.4
205.08908	0.4
209.04547	0.8
209.08147	0.8
219.06627	4.8
220.07222	1.1
221.08192	1.2
234.08981	14.9
235.09331	1.4
237.07635	0.7
247.13441	0.8
261.14920	0.4
265.14435	3.8
275.12808	0.8
289.14481	0.7
290.15231	0.6
293.13940	4.1
299.16391	0.4
315.19492	0.7
317.17630	4.3
318.18115	0.5
319.15536	0.4
331.19131	1.4
333.17056	0.9
333.20703	1.1
335.18634	0.9
341.17624	0.4
359.18649	14.2
360.18991	1.6
377.19699	100.0
378.20059	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	377.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03447	1.6
69.63380	2.7
71.05030	1.1
73.02943	0.7
75.75906	0.3
79.81918	0.3
83.05033	0.5
85.02953	0.8
85.06591	3.9
86.02242	0.3
87.04531	1.7
90.55492	0.3
95.05025	2.2
97.02958	0.9
97.06615	0.6
109.02969	5.0
110.03767	0.5
111.04553	3.9
113.02402	0.5
121.06629	0.3
122.03755	0.3
123.04533	1.9
123.08179	1.3
125.02461	2.0
125.09747	0.8
133.06552	0.4
135.08214	0.8
137.02460	1.0
137.06075	0.7
137.09711	0.7
139.00356	0.8
139.07672	0.7
141.09273	0.6
144.71640	0.3
151.07678	2.8
151.11298	0.7
153.01962	2.2
153.09235	2.5
154.02702	0.7
155.07228	0.5
161.06134	0.8
163.07677	0.3
164.04735	0.3
165.05615	0.7
169.08725	0.5
177.01930	0.6
177.05603	0.3
177.09190	0.5
178.06279	0.4
179.07152	18.5
179.10718	1.2
180.07635	1.4
181.05075	0.6
181.08716	2.9
182.02213	1.0
183.06657	2.6
189.09312	0.4
190.09924	0.4
195.06631	4.4
197.08202	10.7
198.08572	0.5
205.04997	0.4
207.06587	0.9
220.07428	0.5
224.06894	6.7
225.07474	0.5
237.14943	0.6
241.66046	0.3
247.13400	0.7
259.13504	0.5
261.14859	0.3
265.14362	2.4
266.14771	0.5
289.14587	0.6
290.15054	0.4
302.24042	0.4
315.19659	0.9
317.17615	1.2
321.17099	4.5
325.72672	0.3
331.19168	1.0
333.17203	0.6
333.20767	1.5
334.20682	0.4
335.18719	0.6
341.17422	0.4
359.18646	16.3
360.18988	1.7
362.17386	0.4
377.19699	100.0
378.01135	0.4
378.20044	16.1
386.78006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1972
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
57.03450	1.3
57.80682	0.4
59.01359	0.6
69.03463	0.3
70.28947	1.1
70.29346	0.7
71.05009	0.4
85.02955	0.7
85.06603	5.3
86.04349	0.3
87.04537	0.8
95.05039	1.9
97.02967	0.6
98.19846	0.4
107.08704	0.4
108.02387	0.3
109.02962	1.5
111.04539	4.1
121.06621	0.6
122.41100	0.4
123.04554	1.1
123.08192	3.0
125.02476	0.8
125.09730	0.5
137.02467	0.8
141.09247	1.7
150.03215	0.4
151.07652	1.3
151.11302	1.1
153.01988	1.1
163.04039	0.9
164.04901	0.4
165.05577	0.9
165.09135	0.4
167.03499	0.3
177.01961	1.2
178.06346	0.5
179.07193	4.8
179.10793	1.1
180.07872	1.6
181.01450	0.5
181.05125	2.5
182.02269	2.3
183.06630	3.2
189.09274	0.4
192.08034	0.4
195.06631	0.6
197.08226	3.9
197.09906	0.6
197.11835	0.5
204.91302	0.4
205.04901	0.4
206.05824	1.0
207.06581	0.8
207.10246	0.4
209.04575	1.0
209.15475	1.2
210.27048	0.4
212.85864	0.4
217.08583	0.7
220.07451	1.2
223.06117	0.6
224.06909	19.0
225.07382	1.3
235.09853	0.4
245.08167	0.9
247.13448	0.6
259.09875	0.4
260.10239	0.5
265.14468	3.5
289.14404	0.7
290.15280	0.9
315.19629	1.1
317.17603	1.3
321.17136	4.2
322.17334	0.6
331.19211	1.9
333.20724	1.6
359.18668	17.1
360.19095	3.1
377.19711	100.0
378.20044	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15141	0.9
55.01873	2.7
55.85785	0.8
57.03448	7.8
59.01363	4.2
59.01635	0.8
61.98864	1.9
69.03484	0.9
70.20316	2.5
70.20712	1.7
70.54126	1.0
71.01388	2.0
71.05010	4.4
72.73781	1.0
79.95673	1.0
83.05025	2.0
83.23528	0.9
85.02949	2.0
85.06599	0.9
87.04537	1.0
89.02449	1.7
95.05024	2.2
96.95988	1.3
108.02185	1.0
109.02959	1.8
110.03716	1.4
111.04572	4.8
121.06600	1.3
123.04533	1.4
123.08152	4.3
124.01648	2.7
125.02486	1.3
125.06084	1.1
125.09728	2.2
125.84578	0.8
132.59924	0.9
133.06592	1.3
135.08194	1.1
137.02428	1.8
137.06059	1.3
137.09679	1.3
139.03995	4.6
147.08156	1.5
147.11798	4.4
151.04013	4.0
151.07649	2.5
151.11305	24.3
152.11682	1.2
153.09192	2.3
153.51723	1.1
163.04021	1.0
163.11314	1.4
167.07021	1.1
178.06386	1.2
179.07117	8.6
179.10815	1.2
183.06543	2.0
197.08218	2.8
203.14427	2.2
207.10179	1.3
219.14012	1.2
219.17549	10.4
221.15355	6.9
233.15390	1.0
247.13412	13.1
248.13518	1.3
251.12831	1.1
265.14447	15.4
266.15045	1.3
271.02444	1.2
271.20712	1.2
274.01202	1.8
283.02368	1.7
289.21738	100.0
290.22116	12.6
308.16220	2.1
333.20786	3.3
341.06335	1.8
359.18640	3.5
377.08942	2.0
377.19614	38.4
377.23425	4.3
378.20132	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	377.1455
Annotation	Lamiol
Peak:m/z	Relative Intensity
57.03454	1.1
58.02272	0.5
59.01381	46.4
60.01704	0.8
68.86900	0.4
69.56493	3.5
69.56907	1.0
70.54005	0.4
71.01384	4.9
71.06813	0.4
72.99314	0.7
73.02953	1.1
78.50599	0.4
81.19496	0.4
83.01415	0.8
85.02953	1.5
87.00907	0.8
89.02474	4.1
98.20605	0.8
99.00877	1.1
101.02453	2.0
107.08694	1.2
109.72995	0.5
111.04559	0.6
111.08186	5.8
113.02486	3.0
119.03511	1.3
123.04587	0.6
125.09743	0.9
135.08200	1.5
137.06064	0.6
153.09229	21.1
154.09653	1.2
155.07167	9.5
156.07455	0.6
161.04512	0.4
163.85271	0.4
166.57706	0.4
171.10287	13.1
172.10559	0.8
177.09227	1.1
179.05624	0.9
179.07066	0.8
195.10306	0.6
197.08238	4.7
197.22238	0.4
215.09261	100.0
216.09610	6.2
239.09315	1.5
257.10339	1.6
317.12357	1.4
377.09576	0.8
377.14389	6.6
377.18274	0.7
378.14832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02423	0.2
55.01872	0.2
57.03455	0.8
59.01374	0.3
61.13221	0.1
65.00327	0.2
67.01891	0.1
68.99827	0.2
71.05038	0.2
71.73033	0.3
79.01878	0.7
80.45908	0.2
80.91751	0.1
81.03474	0.3
83.05025	0.2
85.02964	3.6
85.03443	0.2
85.06595	1.4
87.00898	0.2
87.04529	0.5
95.01388	0.1
95.05054	0.4
97.02974	0.3
107.05047	1.3
109.02977	0.8
109.06606	2.4
111.04541	7.9
113.06110	1.3
121.02953	0.3
121.06614	0.6
122.03747	0.2
123.04546	3.5
123.05364	0.3
123.08188	1.0
125.02438	0.2
133.06628	0.4
135.04530	0.3
135.08211	0.2
136.05273	0.2
137.02461	0.2
137.06116	0.5
138.03281	0.2
139.04016	0.7
139.07654	0.1
144.76300	0.1
147.08235	0.2
149.02467	0.6
149.05991	0.2
149.09663	0.2
150.03226	0.4
150.06863	0.2
151.04034	12.9
151.07660	1.5
152.04778	0.3
155.07158	2.8
156.07471	0.2
159.08177	0.2
161.06178	0.2
162.06812	0.2
163.00389	0.3
163.04007	0.3
163.07657	0.3
163.11392	0.1
165.05586	0.6
165.09230	0.7
166.02783	0.4
167.03488	0.2
167.07173	0.4
175.07687	0.6
177.01945	2.0
177.05597	0.4
177.09244	1.2
178.06381	0.8
179.03519	0.7
179.07146	0.8
180.04268	1.4
181.05098	0.9
183.06645	0.5
189.09174	0.2
191.03528	0.2
191.07172	0.5
191.10777	0.5
192.07904	0.4
193.05115	0.7
193.08713	3.7
194.05826	0.3
194.49542	0.1
195.06604	0.4
201.06325	0.2
201.91093	0.2
203.07152	6.4
203.10733	0.3
205.05150	0.8
205.08711	0.5
205.12337	0.3
206.05823	0.3
206.09451	0.2
207.06639	4.2
207.08478	0.3
207.10156	0.3
208.07431	2.3
209.08226	3.3
217.08693	0.1
219.06627	0.6
219.13945	0.2
220.11011	0.2
221.08208	100.0
222.08994	5.3
223.06096	0.2
231.10178	0.3
233.08217	1.8
235.09756	3.7
245.15413	0.3
247.09793	1.0
247.13391	0.6
248.10503	0.2
249.11337	0.4
259.51834	0.2
261.11346	0.2
263.12823	0.3
263.20016	0.5
273.11188	0.3
273.18643	0.3
275.16675	0.2
287.20105	0.2
289.14383	0.3
291.12262	0.2
291.15836	0.2
293.13794	0.2
297.18509	0.3
301.14459	0.5
307.12415	0.2
307.15475	1.0
308.16293	1.6
315.19672	4.4
316.20020	0.6
317.17578	7.7
318.18057	0.9
319.15521	6.6
320.16306	0.3
321.17075	1.6
333.20673	0.3
335.15036	0.5
335.18683	0.3
349.20160	0.2
359.18628	1.5
360.19287	1.1
361.19974	0.5
363.18396	0.2
377.14954	0.1
377.19479	12.7
378.20438	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	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99215	0.6
57.03460	2.9
58.00592	0.7
59.01382	64.5
60.01701	0.9
61.98830	1.2
63.54380	0.5
71.01392	7.0
71.29150	1.6
72.25732	0.5
73.02956	3.3
75.00887	0.9
83.05038	0.5
83.25333	0.6
85.02957	3.3
87.00893	1.3
88.98807	0.7
89.02454	7.0
93.07130	1.3
95.01417	0.6
95.05055	2.6
97.02964	0.7
97.06558	0.8
99.00884	0.7
101.02454	4.8
105.25230	0.5
107.04993	0.5
111.04539	0.8
111.08169	6.1
113.02471	3.5
119.03542	2.1
122.89523	0.5
123.04588	0.5
124.01684	1.2
135.04550	78.6
135.08174	12.8
136.04871	4.1
136.08473	0.6
137.06143	1.8
139.04016	1.6
151.04068	1.4
153.09232	15.0
155.07173	19.9
161.04570	1.6
171.10295	24.2
172.10678	1.3
179.03516	5.2
179.07047	1.2
191.05617	0.7
197.08217	7.9
203.03523	0.8
215.09250	100.0
216.09630	5.2
257.10309	3.7
269.30615	0.6
297.09729	4.2
341.08786	16.0
342.09232	1.9
377.06696	3.0
377.14438	15.8
378.14801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Abafungin
Peak:m/z	Relative Intensity
53.79249	0.8
55.01878	1.1
57.03450	4.0
58.00603	1.0
59.01089	1.6
59.01380	29.9
61.98833	1.0
67.01881	0.8
68.99823	1.3
69.03458	1.4
69.84415	5.4
71.01389	30.3
71.85230	0.9
72.99308	8.0
73.02953	2.2
75.00881	27.0
83.01396	1.7
85.02957	30.1
86.03289	1.2
87.00880	12.8
89.02457	10.4
90.95003	0.7
91.04001	1.3
91.87224	0.8
93.03458	1.3
95.01387	8.7
96.19463	0.7
99.00901	14.8
101.02466	2.1
103.00398	4.4
109.02911	0.9
109.06628	1.0
111.00873	1.3
113.02466	46.8
114.02805	1.5
115.00402	3.6
117.01955	4.8
119.03497	0.8
125.02542	0.9
127.07674	35.6
128.08006	1.2
129.01961	3.0
131.03522	1.2
137.02420	1.3
154.99036	1.3
157.01440	1.4
173.11920	1.1
175.02437	4.2
180.96007	0.8
191.05602	3.2
205.07210	4.0
207.05180	1.5
223.08167	2.1
231.05081	3.0
243.02847	0.9
249.06154	36.5
250.06509	1.5
267.07196	77.8
268.07596	3.1
293.13898	1.1
317.12436	1.0
335.16965	1.7
359.13492	1.2
377.14523	100.0
378.14883	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	377.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28262	0.2
56.46474	0.2
57.03449	0.3
59.01090	0.2
59.01377	4.4
61.98822	0.6
63.02399	0.8
65.00329	5.7
66.00655	0.2
71.01390	1.2
71.72056	0.3
73.02942	0.3
75.00887	0.2
81.03504	0.2
83.01398	5.0
85.02968	1.0
86.77621	0.2
89.02440	0.7
90.78279	0.2
93.03469	1.5
95.01401	0.2
101.02439	0.7
107.01410	7.6
107.05012	0.3
108.01701	0.3
111.00916	0.2
112.76313	0.2
113.02450	0.7
113.06129	0.3
117.03479	3.6
118.03787	0.3
119.03513	0.3
122.03728	0.2
122.06133	0.2
125.02470	1.7
126.02762	0.2
129.07013	0.2
131.05081	1.4
133.06601	0.2
135.04549	4.9
137.02434	0.7
148.04018	0.2
149.02452	0.5
151.00397	15.0
152.00706	0.8
157.06619	1.8
158.03749	0.6
158.06795	0.2
159.04543	10.4
160.04866	0.7
161.02467	9.8
161.04553	0.3
162.02800	0.5
169.01404	0.3
171.04628	0.3
173.06036	0.4
175.04050	0.3
177.05606	3.3
179.03520	2.0
183.04565	1.0
185.02525	0.3
187.00371	0.4
191.03534	0.2
191.05634	1.0
192.02963	0.3
197.11806	0.2
201.05582	8.3
202.05934	0.6
203.03525	0.7
205.07173	0.3
215.12834	0.7
227.03488	2.2
228.03789	0.2
240.72827	0.2
241.04933	0.3
243.02980	0.5
245.04547	100.0
246.04887	8.6
263.04623	0.3
269.04538	0.3
287.05661	0.6
289.08310	0.6
311.32791	0.2
329.14139	0.2
341.10696	0.4
343.08282	0.2
368.10141	0.2
377.08817	3.8
377.14392	0.6
377.18445	1.9
378.09039	0.4
378.18854	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	376.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98835	100.0
62.98537	0.3
66.08607	0.2
71.01392	1.1
71.05042	0.5
71.05395	0.4
72.99316	0.3
75.00897	0.4
78.41705	0.2
85.02966	0.8
89.02473	0.4
91.08942	0.2
95.01417	0.2
99.00905	0.4
113.02489	0.8
118.72768	0.2
120.01319	0.4
120.14125	0.2
125.02456	0.4
127.07740	0.4
139.00407	0.4
149.02483	0.4
151.07687	0.3
152.08057	0.5
164.98404	0.3
187.79817	0.3
255.02977	3.6
267.07239	2.2
268.07806	0.3
347.11578	0.8
376.05298	0.5
377.09045	0.2
377.14279	1.2
377.18695	0.5
388.98184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61835	0.2
60.99989	0.3
71.19024	0.6
75.25742	0.3
111.04530	0.3
124.01647	0.6
125.02476	1.1
137.02446	0.7
151.00401	0.5
153.01944	3.6
154.02728	4.0
177.05617	0.8
180.00674	3.5
181.01408	2.2
181.05074	1.7
182.02235	17.6
183.02557	1.2
192.07890	0.5
193.08684	0.5
195.06644	2.0
209.04550	1.1
209.08211	0.8
210.05392	0.5
220.07407	1.1
221.08122	1.4
223.06116	1.1
237.07753	0.6
238.08467	100.0
239.08806	6.7
241.18665	0.3
246.42328	0.3
261.21130	0.3
323.40985	0.3
356.07611	0.3
357.20895	0.5
375.21777	20.9
376.22171	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	375.2179
Annotation	Resolvin D2
Peak:m/z	Relative Intensity
57.03452	1.5
59.01384	0.2
62.74941	0.2
68.11242	0.2
69.60233	1.0
69.60658	0.6
71.05051	0.4
78.65775	0.2
79.01871	0.2
81.03464	0.5
97.06596	0.3
99.08168	0.2
99.89656	0.2
104.48986	0.2
107.05044	0.2
121.06639	0.3
123.08207	0.4
125.06070	1.2
125.09741	0.4
135.08194	0.2
137.09746	7.6
138.10092	0.5
151.04086	0.2
151.51892	0.2
155.10809	0.7
161.09692	0.2
163.07669	0.3
163.11310	3.5
164.08363	0.2
164.11548	0.4
179.10788	1.2
181.08743	0.4
181.12373	0.9
188.11995	0.3
193.12309	0.5
194.77879	0.2
223.09738	0.4
235.09801	0.4
236.10562	0.3
243.17593	0.6
249.15094	0.3
259.34546	0.2
290.76038	0.2
291.16107	1.2
313.21826	1.3
331.22827	1.1
357.20871	0.4
375.21790	100.0
376.22122	15.3
376.27078	0.4
385.13541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24347	0.3
56.40181	0.3
57.03442	0.7
59.01387	0.9
61.35233	0.3
64.13086	0.4
68.99841	0.3
69.38477	3.7
71.05028	1.3
85.02961	1.2
99.08173	3.6
101.06093	1.3
109.06592	1.2
111.00892	1.0
111.04545	0.4
113.02467	1.3
120.05791	0.4
123.08163	0.5
125.02451	0.5
125.06087	2.9
125.09686	0.6
137.02444	0.7
151.07663	0.4
153.09268	0.7
162.06825	0.5
169.08696	0.5
170.58345	0.3
176.08470	0.4
177.05576	0.3
177.09319	0.4
179.07196	1.2
193.08591	0.3
194.09467	0.8
195.06644	4.9
197.08212	8.7
198.08580	0.5
203.07262	0.5
205.08862	0.4
208.07387	0.4
209.04584	2.1
209.08220	0.4
217.63182	0.3
220.07448	0.4
220.94350	0.3
221.08208	0.4
223.06210	0.5
228.06401	0.8
231.06596	1.2
231.13940	1.4
233.08220	0.6
234.08864	0.4
237.07693	1.2
238.08495	2.7
243.10152	0.7
244.14626	0.5
245.08170	0.6
245.11797	5.3
245.15477	0.8
246.12434	0.7
249.07648	0.6
249.14909	1.9
259.20779	0.4
263.12915	2.3
273.11301	1.9
274.15805	0.8
287.12906	1.0
288.13715	4.5
289.14523	3.5
290.14792	0.3
291.12415	1.0
313.21609	0.6
315.19696	2.0
329.21243	0.8
331.19183	0.4
331.22830	1.3
333.20828	0.6
357.20728	11.1
358.21115	1.4
375.21783	100.0
376.22101	13.2
394.63101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87566	0.5
69.88026	1.3
73.88065	0.2
83.99501	0.2
85.31260	0.2
86.80103	0.2
104.36825	0.2
111.04534	0.3
116.79719	0.2
124.01712	0.6
124.87468	0.3
125.02449	0.9
139.00340	0.3
139.10451	0.2
151.00427	0.4
152.53397	0.3
153.01962	2.1
154.02727	3.9
167.03506	4.5
180.00681	3.7
181.01353	1.0
182.02229	23.2
183.02573	0.9
193.08694	0.4
195.02954	2.3
195.06718	1.8
196.03749	0.9
205.05107	0.4
209.08226	0.5
215.46179	0.2
219.06567	0.2
220.07484	1.0
221.08173	1.8
223.06067	1.7
235.51794	0.3
237.07706	0.9
238.08461	100.0
239.08820	5.8
245.89790	0.3
357.20819	0.7
375.21790	17.9
376.22189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2179
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
55.01889	0.8
57.03452	6.5
59.01384	0.6
66.00867	0.5
67.05524	1.1
68.99822	1.5
69.03460	0.4
71.05021	2.2
79.01910	0.9
81.03452	0.6
83.05028	1.7
85.06609	2.3
87.04533	1.1
95.05053	0.8
96.02177	0.6
97.02974	1.2
98.19804	0.7
99.08189	1.9
101.06109	0.7
107.05016	1.0
109.02972	0.9
109.06612	8.1
111.04536	100.0
112.04869	3.9
121.06614	1.0
123.04562	0.6
123.08182	5.3
125.02486	0.7
125.06110	6.6
126.84217	0.6
135.04565	0.6
135.08138	0.9
136.05290	1.0
137.02504	0.7
137.09746	8.1
138.03239	2.7
141.09265	1.1
149.06059	0.7
149.09706	0.7
151.04054	1.3
152.04735	0.6
155.10849	1.3
163.04004	0.6
163.07584	0.7
163.11314	1.2
164.08430	1.9
165.05527	0.8
165.09155	0.7
166.02742	2.1
167.07159	1.3
173.09727	0.5
175.07617	0.6
177.05548	0.6
177.09259	0.5
179.10844	1.7
180.04333	1.7
181.08794	0.8
183.06621	0.6
189.09076	0.5
192.43556	0.5
193.08739	0.9
193.12357	6.8
195.06670	2.4
203.10889	0.9
205.08784	0.5
205.15948	0.7
207.06706	1.1
221.08202	4.1
221.11777	1.1
222.09042	2.8
223.09598	1.3
223.17015	0.9
230.09236	0.5
231.13918	0.8
233.08083	0.6
235.09692	3.3
236.10272	1.9
245.11827	0.5
247.17050	0.7
248.10475	0.6
249.11198	1.2
249.14920	4.6
252.75624	0.5
261.14987	1.7
263.09326	1.7
263.12827	3.0
264.10260	0.6
273.14923	1.8
287.12979	1.7
289.18091	4.3
290.18341	0.6
291.16019	9.2
292.16443	1.4
299.12915	1.4
311.20370	1.0
313.14532	1.3
313.18079	0.6
313.21686	1.3
317.13907	1.0
331.19232	8.6
331.22867	1.5
332.19498	0.9
347.18607	1.3
355.19162	2.5
357.20746	34.9
358.21078	4.9
361.16489	0.6
375.18024	43.4
375.21857	65.8
376.18451	8.0
376.22266	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16133	0.2
55.01883	0.9
57.03455	0.9
58.00595	2.2
59.01380	43.7
60.01711	0.6
60.77114	0.2
61.01822	0.3
61.98829	0.8
71.01385	27.9
71.10332	0.6
72.01731	0.5
72.99310	2.4
73.02946	1.9
75.00877	0.3
83.01397	2.2
85.02956	5.8
85.03442	0.4
87.00902	0.8
89.02451	21.0
90.02805	0.2
95.01395	2.4
97.02968	0.2
99.00893	0.4
101.02454	13.5
102.02778	0.3
107.01421	0.2
113.02454	8.8
114.02857	0.2
119.02664	0.3
119.03513	6.1
125.02502	0.5
131.03540	0.4
143.03546	0.3
161.04570	0.3
171.04343	0.3
177.12941	0.3
179.05649	0.3
183.13913	7.5
184.14287	0.5
188.62569	0.2
195.13916	15.3
196.14235	1.1
201.02014	0.3
211.13362	0.3
213.14964	58.3
214.15314	4.2
227.12975	0.3
227.16388	0.4
229.01482	0.4
242.02211	0.3
255.03078	0.4
257.00903	0.5
258.01596	0.3
267.16046	0.3
271.02353	0.6
272.02954	0.2
274.01212	0.3
275.02026	0.3
280.00055	0.2
299.01971	0.4
333.17621	0.2
357.02438	0.3
357.06317	0.6
357.19312	0.6
375.07623	1.6
375.20261	100.0
376.20627	12.5
376.25586	0.3
387.24246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.37987	0.3
57.03444	2.7
66.06653	0.3
69.03459	0.3
69.67410	2.7
71.05027	1.1
74.09306	0.3
79.01890	0.7
81.03478	0.5
83.05057	0.4
85.06600	0.4
88.71628	0.3
95.05058	0.4
97.02975	0.8
99.08157	1.6
107.05033	0.9
109.06617	1.3
111.04551	2.2
116.13818	0.3
121.06589	0.9
123.04540	1.2
123.08171	1.5
125.06094	5.9
135.08168	0.5
137.06102	0.3
137.09750	11.2
138.10062	0.4
139.07686	0.4
149.09749	0.4
151.04027	2.8
155.10806	3.6
161.09799	0.4
163.07648	0.5
163.11334	2.0
164.08391	0.5
165.05565	0.8
165.09181	0.7
166.02711	0.7
173.09763	0.4
175.11264	2.0
177.02040	0.4
177.09149	0.3
179.03458	0.4
179.10817	1.1
180.04330	1.0
181.08757	0.7
181.12427	0.5
193.12334	2.5
195.06688	0.7
199.11287	0.6
203.07137	0.6
203.10626	0.4
205.12335	0.5
207.10284	0.9
209.08223	1.6
209.50931	0.4
211.06189	0.6
217.08635	0.9
221.08183	3.8
222.08867	0.6
223.09743	1.0
229.15974	0.8
231.13869	1.1
233.08342	0.5
235.09756	11.6
236.10291	1.9
247.09720	1.1
249.11305	2.8
249.15054	0.5
255.13799	0.4
263.12924	0.7
273.15002	3.3
289.14542	1.7
311.20139	3.1
313.21732	3.5
314.22104	0.5
331.19156	0.7
331.22760	1.7
339.19510	1.0
347.19272	0.4
357.20728	49.1
358.21030	5.4
375.18387	8.1
375.21869	100.0
376.18600	1.3
376.22232	15.2
392.82486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03457	0.8
58.00603	2.0
59.01381	44.2
60.01726	0.4
69.39792	0.8
69.40200	1.7
71.01386	21.9
72.01726	0.4
72.99316	2.1
73.02943	1.3
83.01397	1.9
84.02163	0.3
85.02963	6.1
87.00911	0.7
89.02453	18.1
95.01405	2.0
97.03013	0.3
98.19904	0.5
99.00903	0.4
101.02457	14.2
109.02956	0.2
113.02465	8.0
113.03247	0.5
113.46084	0.3
114.02807	0.2
119.03517	6.6
124.70370	0.2
125.02473	0.3
138.51984	0.2
143.03523	0.2
149.20076	0.2
161.04639	0.3
167.58913	0.2
167.64870	0.2
183.13969	0.6
195.13914	10.2
196.14238	0.6
199.04092	0.3
213.01439	0.5
213.11519	0.3
213.14967	3.5
214.15398	0.3
217.29843	0.3
243.03020	0.8
245.83667	0.2
261.04086	1.0
269.13351	0.3
307.07767	0.3
331.08658	0.3
357.19122	0.5
375.07645	1.8
375.20261	100.0
376.20612	11.2
376.25604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1816
Annotation	Peucephyllin
Peak:m/z	Relative Intensity
55.01896	0.2
57.03452	6.6
57.03732	0.3
57.55561	0.2
59.01385	1.5
60.15422	0.2
67.05540	0.2
68.99827	0.5
69.03482	0.6
69.60474	1.7
71.01399	0.5
73.52647	0.2
79.01888	0.3
79.05561	0.3
81.03497	0.3
83.01394	0.3
83.05061	0.8
85.02962	3.7
85.03436	0.3
85.06602	8.2
86.06953	0.4
87.00880	0.5
87.04528	2.3
93.03497	0.8
95.01392	1.2
95.05036	1.1
97.02988	0.8
97.06648	0.2
98.03781	0.3
99.04570	0.4
105.07132	0.4
107.05096	0.6
109.06610	1.1
110.00093	0.2
111.00925	1.2
111.04538	23.9
111.08175	6.3
112.04909	0.7
112.08572	0.2
113.06105	2.1
119.08705	0.4
121.02972	0.4
121.06625	0.7
121.10258	0.4
122.03742	0.3
123.00903	1.1
123.04549	0.4
123.08171	1.4
124.01700	0.6
125.02522	1.0
125.06123	0.3
127.07694	0.2
131.08751	0.3
133.06639	0.5
135.04572	0.9
135.08183	0.8
136.05371	0.5
137.02502	0.8
137.06107	2.5
137.09744	1.9
138.03285	0.4
139.04027	1.4
139.07704	0.7
147.08170	1.0
148.05348	0.2
148.08987	0.4
149.06142	0.5
149.09807	1.0
150.03230	0.2
150.06795	0.2
151.00464	0.7
151.04053	1.1
151.07668	1.2
151.11301	0.2
152.04836	0.2
153.09264	0.8
155.07188	1.7
157.06651	0.2
160.00761	0.2
161.06065	0.2
161.09772	0.4
163.04080	0.5
163.07678	5.6
163.11276	1.2
164.08290	0.3
165.01982	0.4
165.05557	1.2
165.09218	1.6
166.06345	1.0
167.03493	0.2
167.07143	0.4
171.08170	0.4
173.05991	0.2
173.09720	3.0
174.10239	0.3
175.07623	0.7
175.11324	0.9
177.09253	1.0
179.03526	0.8
179.07143	0.5
180.04366	0.3
181.05086	12.2
181.08601	1.6
182.05446	0.8
183.06659	0.9
185.09750	1.1
185.43594	0.2
186.08650	0.2
187.07637	0.2
188.08482	0.5
189.05606	0.2
189.09232	0.6
189.12921	0.6
190.06349	0.2
190.09926	0.3
191.07166	3.5
191.10736	1.0
191.14429	1.6
192.07823	0.7
193.05118	0.8
193.08687	1.1
193.12505	0.4
194.05858	2.1
195.06641	0.8
198.05365	1.1
199.11334	0.2
199.14926	0.2
200.08498	0.3
201.12851	1.7
203.10832	0.6
205.08714	0.9
206.09535	1.1
207.06598	1.7
209.08188	0.6
213.09348	0.4
214.10034	0.5
215.10728	0.3
217.08711	0.2
217.12389	0.5
217.15909	1.0
218.12975	0.3
219.13884	1.1
221.08131	0.4
225.12912	0.3
227.10829	1.2
228.11513	0.7
231.10551	0.3
233.08215	0.3
233.15536	0.4
235.09798	0.7
238.57397	0.2
241.12323	0.7
242.13074	1.4
243.13884	6.1
244.14247	0.8
245.11876	1.9
255.13914	1.0
256.14676	0.7
259.13516	0.3
260.14197	2.0
261.14902	2.5
261.18646	0.5
262.15274	0.3
263.12891	4.9
264.13263	0.6
269.19147	0.3
270.12494	0.2
271.17023	3.0
277.14664	0.4
285.18671	0.4
287.12924	0.4
287.20047	0.2
288.13550	0.3
289.14807	0.3
289.18082	1.1
295.17139	0.6
298.15753	0.7
303.19681	0.3
305.13977	1.2
305.17627	1.4
306.14749	0.7
313.18091	7.3
314.18384	0.7
315.16037	0.7
331.19156	27.0
332.15903	0.4
332.19513	3.4
333.17078	36.1
334.17441	0.7
347.18649	0.7
357.17087	0.4
375.18118	100.0
376.18533	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	375.1814
Annotation	Rabdosin A
Peak:m/z	Relative Intensity
57.03445	1.0
58.73827	0.3
59.01379	0.7
62.16774	0.3
67.05511	0.4
68.99843	0.8
69.03454	0.7
69.75657	2.2
71.05000	0.7
79.01894	0.6
85.02950	1.1
85.06612	1.7
87.04520	1.3
89.61675	0.3
95.01438	0.4
95.05030	0.9
97.02969	0.9
99.08141	0.4
107.05041	0.8
109.02952	0.7
109.06592	0.4
111.00891	0.9
111.04530	64.1
112.04855	1.8
113.02501	0.7
113.06111	0.7
121.02950	0.3
121.06618	1.2
123.04563	0.6
123.08167	2.9
125.02435	0.4
125.06082	1.4
137.02452	0.7
137.09717	1.0
139.04024	1.3
139.07652	0.9
141.09247	0.7
149.02478	0.4
149.06093	0.4
149.09737	0.8
151.04012	2.6
151.07655	0.4
153.05547	0.4
155.07108	0.3
161.09703	0.8
163.07556	0.4
165.05582	0.6
165.09209	0.4
167.03516	1.4
167.07179	1.1
168.04250	0.6
177.02014	0.3
179.03571	0.5
179.07114	0.7
180.00818	0.3
180.04225	0.4
181.05060	1.1
181.08846	0.4
182.02187	0.4
183.06648	3.6
187.11288	0.4
189.05553	0.4
191.07115	1.1
191.10764	1.0
192.07869	0.5
193.08673	1.4
194.05791	0.6
195.06641	2.7
205.05138	0.7
205.08740	0.3
205.12343	0.6
206.05917	0.5
207.06631	3.0
208.07314	1.4
209.08168	2.0
210.08911	1.1
219.06595	2.3
219.10025	0.4
219.13715	0.5
221.08102	0.9
223.06071	0.5
231.13617	0.4
233.08200	1.0
235.06085	1.4
235.09601	0.6
236.10248	0.4
237.05421	0.5
237.07649	5.0
238.08450	3.3
245.11743	0.8
249.07570	0.6
252.35600	0.3
261.14874	1.2
263.12827	0.9
275.16299	0.4
286.12024	0.5
287.12769	0.5
287.16168	0.4
288.13608	0.4
289.14352	0.8
291.15656	0.4
305.13565	0.4
306.14706	2.1
313.18063	0.8
313.21466	0.3
314.11359	0.5
315.15836	1.0
317.17432	0.4
331.19061	2.8
331.22440	0.4
332.19403	0.6
333.17172	0.5
345.17017	0.6
347.18600	0.8
350.85880	0.3
357.16833	1.3
357.20688	0.5
375.17993	100.0
375.21793	9.8
376.18390	15.5
376.22293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.68735	0.5
57.03445	2.9
59.01373	1.3
67.05547	0.8
68.99824	4.4
69.03436	0.5
71.05013	0.8
71.49583	0.8
79.01893	0.8
81.03458	0.7
81.91161	0.5
83.05046	1.1
85.02967	1.5
85.06601	1.8
87.00869	0.9
87.04512	1.4
93.03447	0.5
95.01431	0.6
95.05042	1.3
97.02965	1.0
99.00902	0.5
107.05014	0.9
108.13773	0.4
109.02959	0.7
109.06602	1.9
111.00982	1.0
111.04536	100.0
111.56435	0.4
112.04883	3.1
113.02482	0.7
121.06616	2.2
123.00864	1.1
123.04543	2.1
123.08185	8.3
124.08521	0.8
125.02424	1.0
125.06085	4.5
125.99621	0.8
135.08170	0.6
137.09724	5.9
139.00325	0.7
139.04034	0.9
139.07664	1.1
141.00974	0.8
141.01967	9.2
149.06035	0.5
149.09711	0.5
151.04005	1.4
153.05595	0.9
155.10858	0.7
163.11313	2.1
165.05595	1.4
167.03525	7.2
167.07108	1.5
175.07780	0.6
179.07280	0.8
179.10802	1.0
180.04251	1.2
181.05061	5.9
181.08699	0.6
182.05875	1.2
183.06636	2.2
191.07120	0.7
191.10791	1.5
192.07899	0.6
193.12341	0.9
194.05824	0.6
195.03004	7.0
195.06610	2.9
196.03731	2.2
198.05675	0.5
200.03247	0.6
203.10757	0.6
205.12358	1.1
207.10352	0.7
209.08041	0.5
210.05338	2.2
211.06128	20.6
212.06416	0.8
214.04834	9.6
214.06737	0.9
215.05199	0.9
219.14063	0.7
221.08244	2.3
223.09767	0.8
231.10362	0.6
233.08142	0.6
235.09695	3.3
236.10220	1.4
238.04807	5.1
238.08440	2.2
247.09793	1.0
249.11336	4.6
249.15135	0.9
261.14911	0.8
263.09286	0.6
263.12857	2.9
273.14871	0.6
275.16626	0.5
289.18094	1.5
291.16052	1.3
304.77328	0.4
305.17587	1.1
306.14548	0.5
313.18195	1.1
319.15652	0.9
329.17651	0.5
331.19174	6.2
331.22690	0.7
332.19531	0.8
333.17090	1.4
347.18796	0.9
357.16916	0.8
357.20773	2.6
375.18112	91.7
375.21979	36.9
376.18475	14.8
376.22314	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1814
Annotation	Peucephyllin
Peak:m/z	Relative Intensity
53.75139	0.3
54.33628	0.3
57.03447	6.3
59.01382	1.7
64.12296	0.3
67.01876	0.4
68.99818	0.6
69.03442	0.9
69.71519	0.4
69.71931	1.8
71.05028	0.4
79.05534	0.3
80.39544	0.3
81.03465	0.3
82.14859	0.3
83.01367	0.3
83.05027	1.1
85.02953	3.4
85.06593	7.8
87.00847	0.3
87.04514	2.0
87.96200	0.2
93.03466	0.7
95.01394	1.3
95.05016	1.1
97.02962	0.7
98.20612	0.5
107.05041	0.6
107.08653	0.6
108.02177	0.4
109.02977	0.7
109.06583	1.2
111.00891	1.2
111.04533	23.0
111.08161	5.5
112.04871	0.8
113.06095	2.2
119.08621	0.4
121.06613	0.8
121.10216	0.4
122.03747	0.5
123.00887	1.2
123.04546	0.5
123.08153	2.0
124.01691	0.4
125.02441	1.1
133.06560	0.5
135.04529	0.5
135.08167	0.5
136.05292	0.3
137.02472	1.2
137.06108	2.5
137.09712	1.9
139.04010	1.1
139.07629	0.9
140.33371	0.3
147.08153	1.3
149.06059	0.3
149.09712	0.8
150.03128	0.3
151.00365	0.7
151.04004	0.9
151.07634	1.6
153.09209	0.7
155.07162	2.1
161.06044	0.4
161.09720	0.3
163.03947	0.5
163.07654	4.8
163.11237	1.0
164.08315	0.5
165.01910	0.3
165.05602	0.9
165.09273	1.4
166.06349	0.8
167.03447	0.6
167.07141	0.6
171.08072	0.3
173.09700	3.0
175.07622	0.6
175.11200	0.4
177.05595	0.8
177.09259	0.9
177.12860	0.4
179.03531	1.0
179.07082	0.3
180.04285	0.5
181.05083	10.8
181.08661	1.2
182.05353	0.8
183.06627	1.5
185.09724	0.9
189.09311	0.3
189.12877	0.7
190.06305	0.3
191.07185	2.9
191.10780	1.1
191.14423	1.5
192.07811	0.8
193.05069	1.2
193.08635	0.7
193.12318	0.6
194.05855	1.7
195.06610	1.0
198.05348	1.4
199.07652	0.3
200.08371	0.5
201.12820	1.8
203.10765	0.6
205.08733	0.9
206.09473	1.0
207.06630	1.3
207.10182	0.3
209.08142	0.7
211.09871	0.3
213.08919	0.3
217.12309	0.9
217.15901	0.7
218.09340	0.4
218.13094	0.4
219.13910	1.6
227.10706	1.2
228.11420	0.5
233.08134	0.6
233.15503	0.5
235.09726	0.8
238.08400	0.4
241.12297	1.0
242.13129	1.9
243.13898	5.7
244.14265	0.5
245.11736	1.7
255.13869	1.5
256.14523	0.7
260.14114	1.9
261.14890	2.0
261.18463	0.4
263.12848	5.6
264.13034	0.4
269.19153	0.7
271.17035	2.6
273.14883	0.3
287.12921	0.4
287.19919	0.4
289.18030	1.3
291.12549	0.4
295.16974	0.5
298.15717	0.5
305.13831	1.1
305.17557	1.7
306.14508	1.4
313.14914	0.3
313.18069	6.5
314.18405	1.2
315.15958	1.0
329.17609	0.3
331.19147	26.2
332.19543	2.8
333.17068	34.4
334.17322	0.8
347.18582	1.0
357.16992	0.7
375.18103	100.0
376.18512	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	375.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45593	0.1
51.11769	0.1
55.01876	0.4
57.03451	4.8
58.03790	0.2
59.01380	0.4
62.57272	0.1
67.05535	1.0
68.99818	1.3
69.03459	0.9
69.75827	0.5
71.01403	0.1
71.05035	0.6
72.31442	0.1
78.39074	0.1
79.01900	0.4
79.05564	0.1
80.02667	0.2
81.03470	0.4
83.01414	0.2
83.05035	0.6
85.02969	0.1
85.06604	1.7
87.04517	0.7
93.03429	0.2
93.07125	0.1
95.01421	0.1
95.05029	0.3
96.02196	0.3
97.02967	0.4
97.06612	0.3
99.08212	0.5
101.06120	0.1
105.68163	0.1
107.05029	0.4
108.02198	0.1
109.02995	0.3
109.06612	3.8
110.06919	0.2
111.04539	100.0
112.04874	3.8
113.06104	0.1
119.08694	0.1
121.03000	0.1
121.06610	0.8
123.04578	0.5
123.08183	5.3
124.08515	0.3
125.02495	0.1
125.06112	2.0
125.09770	0.3
126.06406	0.1
127.07669	0.3
128.01181	0.3
133.06581	0.2
135.04558	0.1
135.08200	0.4
136.05325	0.2
137.02385	0.1
137.06161	0.2
137.09750	5.9
138.03271	0.1
138.10094	0.3
139.04004	0.2
139.07697	0.2
139.11388	0.1
147.08179	0.1
149.06100	0.2
149.09743	0.5
150.03258	0.1
151.00404	0.2
151.04045	0.6
151.07686	0.4
151.08804	0.1
152.04813	0.3
153.05569	0.1
153.09309	0.2
155.10814	0.5
161.09766	0.4
163.04118	0.1
163.07661	0.3
163.11319	2.0
164.08429	0.2
164.11624	0.2
165.05595	0.3
165.09212	0.4
166.02757	0.2
166.06329	0.1
167.03476	0.1
167.07211	0.6
173.09689	0.2
175.07651	0.2
175.11292	0.2
177.05629	0.2
177.09271	0.4
177.12889	0.2
178.06366	0.2
178.09879	0.1
179.03514	0.3
179.07059	0.2
179.10814	1.1
180.04300	0.3
180.08047	0.1
180.11174	0.1
181.08752	0.3
181.12367	0.5
182.02235	0.1
183.06660	0.1
185.09732	0.1
188.12154	0.1
189.09229	0.3
191.10817	0.6
192.07841	0.1
192.11264	0.1
193.05046	0.1
193.08739	0.5
193.12405	0.4
194.05843	0.2
195.06679	1.2
201.12881	0.4
202.13214	0.1
203.07143	0.2
203.10783	0.7
204.11531	0.2
205.05151	0.2
205.08652	0.1
205.12300	0.2
206.09438	0.1
207.06679	0.3
207.10240	0.5
208.07469	0.2
209.08228	0.4
209.10129	0.1
209.11859	0.3
212.06979	0.1
215.10835	0.2
217.08797	0.2
217.12326	0.1
218.09540	0.1
219.06628	0.3
219.13916	0.8
220.07214	0.1
220.10956	0.1
221.08252	0.7
221.11784	0.9
222.08969	0.2
223.09781	0.3
223.17238	0.1
229.08476	0.1
231.10196	0.2
231.13852	0.2
233.08211	0.2
233.11830	0.1
235.09769	1.9
236.10246	0.9
237.07689	0.1
237.10832	0.2
238.08580	0.5
241.12509	0.1
243.13925	0.3
243.17456	0.4
245.11885	0.6
246.12575	0.2
247.09717	0.3
247.16924	0.1
248.10384	0.1
249.11340	0.6
249.14896	0.3
250.08604	0.1
255.13849	0.1
261.12109	0.1
261.14975	1.8
261.18088	0.2
262.15350	0.2
263.09286	0.5
263.12875	3.8
264.10159	0.1
264.13181	0.2
271.17041	0.5
273.14966	0.7
274.15518	0.1
275.12811	0.2
275.16364	0.1
277.10800	0.1
287.12936	0.2
287.16476	0.1
289.18085	5.3
290.18387	0.7
291.16061	0.7
295.20743	0.1
299.12985	0.1
301.14423	0.2
305.14032	0.3
313.18073	0.7
313.21841	0.8
315.15939	0.1
316.16531	0.1
317.13931	0.5
318.14658	0.1
319.15656	0.5
331.19189	6.6
331.22794	0.7
332.19537	1.0
332.23172	0.1
333.17099	0.3
347.18677	1.1
348.19092	0.2
357.17023	0.3
357.20807	1.5
358.21191	0.2
361.16901	0.2
375.18146	48.9
375.21976	24.7
376.18488	8.1
376.22336	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	374.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.8
60.01711	1.0
61.98829	1.5
62.21105	0.2
69.50368	1.6
69.50791	0.9
71.30579	0.3
74.90579	0.3
76.38644	0.2
83.95450	0.3
90.97158	1.0
99.47962	0.3
102.99458	0.3
114.98920	1.3
118.96661	0.3
132.98225	2.5
149.07953	0.3
156.99911	2.2
158.00056	0.3
171.97453	0.5
172.97430	0.3
174.99266	26.0
175.99576	0.8
201.02567	1.9
202.02681	0.5
212.63774	0.2
217.00311	100.0
218.00633	4.5
218.34416	0.3
232.97571	0.3
314.98770	1.3
332.98193	0.3
374.99261	8.0
375.17865	0.6
375.99557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06663	0.1
57.03410	0.2
59.01093	0.2
59.01378	3.5
61.98815	0.7
65.41911	0.1
70.20564	0.8
74.80920	0.2
76.84322	0.2
78.13947	0.2
80.96507	0.3
93.08776	0.2
106.09002	0.2
111.04529	0.6
111.86030	0.2
125.02451	0.3
145.02977	0.2
151.00366	0.4
183.04506	0.3
187.03964	0.3
189.01920	0.2
198.03197	0.2
199.03973	0.3
201.01794	0.2
211.03925	0.4
215.03499	0.5
223.77786	0.2
226.02805	0.2
227.03506	0.6
229.01447	0.4
230.02251	0.3
231.02994	0.2
239.03505	3.3
240.03911	0.2
241.01399	0.7
242.65504	0.2
243.02983	3.2
244.03658	1.3
254.02145	0.3
255.03003	1.3
256.03491	0.2
257.00848	0.7
258.01678	1.4
259.02460	3.6
260.02786	0.3
271.02448	3.3
272.03232	3.6
273.03741	0.5
274.01166	0.2
281.98486	0.3
282.01697	6.6
283.02481	100.0
284.02820	8.9
287.02136	0.4
288.02701	0.2
299.01981	7.4
300.02713	3.3
301.02991	0.2
304.02219	1.2
315.04868	0.2
317.02869	0.3
341.32175	0.2
343.04587	0.7
346.15634	0.2
353.14276	0.2
357.05804	0.2
358.06998	0.2
375.07230	18.1
376.07614	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	375.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93669	0.2
57.03453	0.3
59.01383	3.0
61.98810	0.9
73.54539	0.2
79.01895	0.4
88.98795	0.3
108.69545	0.2
109.02909	0.3
111.04501	1.1
123.04572	0.3
124.01713	0.3
125.02424	0.3
135.00856	0.4
143.05034	0.3
151.00357	0.8
155.05040	0.3
159.04539	0.4
162.82339	0.3
163.04010	0.4
165.01889	0.3
187.04057	0.3
190.99692	0.2
195.06618	0.3
199.04073	1.3
201.01947	0.3
211.03989	0.8
213.74692	0.2
215.03506	0.6
216.25012	0.3
221.19174	2.4
227.03517	1.4
229.01463	0.5
229.13513	0.2
230.02293	0.6
231.02937	0.3
239.03516	3.2
240.03827	0.3
241.01492	0.7
243.02965	4.8
244.03784	1.5
245.00948	0.4
255.03012	2.4
257.00906	0.5
258.01691	1.6
259.02451	1.2
265.18188	1.9
271.02499	8.9
271.62637	0.2
272.03226	4.4
273.00372	0.7
273.03683	0.4
274.01236	1.6
275.01950	0.3
275.12881	0.7
282.01688	7.1
283.02493	100.0
283.19080	2.7
284.02823	9.5
284.05957	0.5
286.01218	0.3
287.01923	1.4
287.22327	0.3
299.01999	14.5
300.02594	4.5
301.03326	0.4
301.20239	4.4
302.20612	0.3
304.02310	1.3
317.03241	0.4
343.04575	1.6
357.05969	0.5
358.06705	0.3
375.07266	17.2
375.18152	3.8
375.23810	4.1
376.07632	2.0
376.18481	0.6
376.24203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98833	0.6
57.03463	0.7
59.01383	0.7
61.38628	0.7
61.98832	100.0
71.28680	0.8
71.29021	1.4
76.57406	0.6
81.52694	0.7
111.04555	2.4
123.08227	0.7
137.02448	1.7
141.02019	0.9
141.69788	0.7
196.64865	0.7
211.06221	1.1
242.02205	1.4
267.03046	0.9
306.15027	0.7
311.09393	3.4
331.19235	1.9
373.20300	2.3
374.20657	3.2
375.17957	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	374.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93835	0.2
59.01376	0.4
61.98832	100.0
62.98534	0.3
70.14051	0.4
70.14461	0.7
71.02050	0.2
73.68594	0.2
80.48989	0.2
111.04550	0.6
124.01753	0.3
134.03802	0.8
135.04543	7.5
136.04924	0.3
179.03511	11.1
180.03896	0.8
204.35587	0.2
240.81242	0.2
241.93446	0.2
281.12296	0.2
288.02481	0.3
289.03403	0.3
291.34735	0.2
374.09933	0.6
374.20874	0.3
375.17929	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	374.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.7
60.01723	0.2
61.98823	0.2
62.57621	0.2
64.99979	0.1
65.00314	0.3
69.42477	0.4
69.42874	1.6
71.01382	0.6
72.97396	0.2
73.02937	0.3
75.00883	0.2
75.52339	0.2
85.02962	0.2
89.02441	0.3
90.31416	0.2
98.19902	0.3
109.02932	0.2
111.04536	0.4
113.02472	0.3
121.02951	0.3
122.03757	7.3
123.04070	0.3
125.02503	0.3
125.06115	0.4
134.03764	0.2
135.04568	0.2
136.04050	0.4
137.02441	0.2
151.00395	0.5
151.04065	0.4
152.03552	100.0
153.03903	5.3
173.06137	0.2
175.04034	0.4
177.01999	0.2
189.01981	0.3
194.04610	0.3
199.04019	0.6
209.52382	0.2
213.02338	0.4
217.05075	0.3
243.02979	1.7
259.02493	0.6
261.04034	1.4
267.06702	0.2
270.40427	0.2
282.08759	0.3
297.11493	0.4
375.07248	3.0
375.12704	0.4
375.17151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2024
Annotation	16-phenyl tetranor PGF2alpha
Peak:m/z	Relative Intensity
50.80201	0.2
55.01884	0.3
57.03446	1.6
59.01375	1.0
61.98824	0.6
63.96238	1.0
67.77764	0.2
71.01384	0.5
71.71658	0.3
72.99313	0.2
74.99114	0.3
78.98584	0.6
81.03477	0.4
83.05028	0.7
85.02947	0.4
85.06673	0.2
87.00880	0.2
95.05029	0.6
107.05025	0.4
107.08652	0.3
109.02955	0.9
111.04533	0.6
119.08613	0.2
120.05820	2.3
121.03027	0.3
121.06557	0.3
123.00918	0.6
123.04527	0.3
123.08186	1.0
124.01711	0.3
125.06122	0.2
133.06630	1.1
134.07423	0.3
135.04556	0.4
135.08183	13.8
136.05267	0.4
136.08524	0.9
136.99103	0.2
137.02487	3.4
137.09770	1.8
138.03291	0.3
139.04036	0.4
147.08195	0.9
149.06064	0.5
149.09793	0.2
151.04021	0.7
151.07675	2.8
152.04756	0.2
152.07967	0.2
153.06462	0.2
153.09227	0.6
154.02687	0.2
155.03505	0.4
159.08174	0.3
161.06062	0.4
161.09706	1.1
163.04042	0.3
163.11243	0.4
165.01927	0.5
166.02734	0.4
167.03448	0.4
171.08229	0.3
173.06093	0.3
173.19724	0.2
174.06857	0.9
175.07648	0.8
176.08327	0.2
177.09232	0.3
177.12839	0.3
179.07173	2.4
180.02827	0.3
180.04300	1.9
187.09897	0.2
188.08447	0.5
189.09233	5.9
190.09515	0.4
193.08644	0.2
193.12354	0.3
200.79681	0.2
205.01424	0.5
215.06882	0.3
217.08812	0.3
220.07385	0.4
235.09756	0.3
241.16057	0.7
243.02864	0.3
261.14981	0.3
266.08002	0.2
270.16205	0.2
271.02341	0.4
272.03268	0.3
276.06055	0.2
276.13699	0.4
277.14536	1.2
283.02271	0.3
287.12732	0.4
296.17734	0.4
304.13147	0.3
305.13892	1.2
306.14059	0.3
311.20172	1.1
327.19763	0.7
329.21268	0.7
341.06326	0.3
343.04663	0.2
345.21103	0.5
355.19150	4.6
356.19516	0.9
373.10507	1.9
373.20224	100.0
374.20554	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	373.2023
Annotation	Durumolide B
Peak:m/z	Relative Intensity
55.01903	0.8
57.03452	4.3
59.01419	1.7
65.00358	0.6
69.03518	0.4
69.81757	1.4
69.82178	1.9
71.01399	0.6
71.05074	2.1
79.05592	1.6
81.03510	1.6
83.01438	0.5
85.02973	2.5
87.04570	2.1
91.02219	2.5
93.00179	0.7
95.01464	0.5
95.05090	1.0
97.06638	1.0
98.19939	0.7
99.08188	3.5
101.06163	2.2
105.07162	0.7
107.05101	1.7
108.02232	0.7
109.02963	6.3
109.06648	1.0
110.03832	0.7
111.00932	1.1
119.08782	0.5
121.02984	0.8
121.06638	1.2
122.03768	0.8
123.00915	0.8
123.04637	1.3
123.08183	43.7
124.01730	1.4
124.08559	1.7
125.02539	1.6
125.06069	4.0
125.09763	0.8
133.06674	1.1
135.04596	1.6
135.08183	3.4
136.05391	1.6
137.02466	21.5
137.06137	1.9
137.09731	4.4
138.03282	0.9
139.00363	0.6
147.08238	2.6
147.11850	2.0
149.06133	3.2
150.06880	2.5
151.04065	2.2
151.07663	2.6
161.06192	0.7
161.09839	0.8
163.04091	0.7
163.07722	0.7
164.08476	1.9
165.02007	1.4
165.05656	0.8
165.09225	22.5
166.02779	1.2
166.09595	1.2
175.07677	2.4
175.11261	0.5
177.05563	0.9
177.12874	0.8
179.03542	1.7
179.07155	1.6
179.14487	1.3
180.04301	0.6
189.12923	1.5
191.07170	1.8
191.14488	0.9
192.07933	3.2
193.08694	3.1
195.27177	0.5
201.05630	0.5
201.13011	0.7
203.07202	1.1
203.10771	0.8
205.08762	1.4
217.12399	3.9
219.10355	2.0
219.13872	0.7
227.10797	0.7
229.08777	0.5
231.10280	0.8
231.13998	0.6
233.11839	0.8
234.09222	0.5
235.09824	1.1
236.10434	0.7
245.11835	2.4
245.15501	2.8
247.09720	2.2
248.10335	0.5
249.11322	0.9
257.19113	0.7
259.13409	1.0
259.20676	4.7
260.14127	1.0
260.20987	0.6
261.11353	0.9
261.14929	0.7
271.17020	1.0
273.14856	0.4
276.13654	3.1
277.14243	0.6
287.12650	0.6
287.20160	1.3
289.14490	0.5
301.21689	2.9
302.22141	0.6
303.19717	0.7
304.13171	4.6
311.20169	1.5
329.21234	100.0
330.21594	13.8
331.19156	1.0
345.20731	2.1
355.18933	1.0
373.20172	90.9
373.23593	4.8
374.15839	0.8
374.20505	14.5
374.25104	0.8
375.02673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2021
Annotation	Rubaferidin
Peak:m/z	Relative Intensity
55.01880	0.8
57.03449	1.2
58.59980	0.5
59.01362	0.7
59.97497	0.5
65.50117	0.5
66.84032	0.5
67.61228	0.5
71.01391	0.9
71.05042	1.0
93.13974	0.5
95.01406	0.7
109.02966	2.2
123.08184	0.8
124.01651	4.7
125.02451	1.6
125.09715	0.6
135.08183	9.2
137.02461	79.6
138.02940	2.3
139.00412	1.2
151.04047	2.8
153.09267	0.7
163.07539	0.7
165.01952	4.3
166.02718	2.1
179.03513	5.3
183.95868	0.5
189.50485	0.5
193.12325	1.2
201.88176	0.6
249.11382	2.7
251.12880	1.2
263.12781	0.7
276.13678	8.5
277.14005	0.7
278.59387	0.5
304.13162	9.0
305.13577	1.0
317.17581	1.5
345.20667	6.6
346.21054	0.9
373.20221	100.0
374.15811	1.2
374.20535	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	373.2018
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
55.01873	0.5
57.03443	2.4
59.01365	1.9
61.98833	0.6
69.03447	0.9
71.05025	0.6
71.72882	0.8
83.05044	1.2
85.02940	0.5
87.04546	0.5
91.02214	1.1
93.00122	0.7
95.05053	0.9
99.08163	1.9
101.06085	1.4
106.90269	0.5
107.05050	0.7
109.02964	7.1
109.06578	1.4
111.04507	3.1
111.08093	0.6
121.02966	1.2
121.06610	0.7
122.03677	0.6
123.00869	0.7
123.04543	2.1
124.01656	2.3
125.02459	1.0
125.06116	3.3
125.09677	0.7
135.04581	0.7
135.08203	3.9
136.01669	0.5
136.05328	1.0
137.02460	23.3
137.06068	1.6
137.09711	1.2
138.03157	1.1
139.00365	0.6
142.39359	0.5
147.08162	0.5
150.03290	0.6
151.04047	3.1
151.07640	0.9
151.11229	0.5
153.09204	1.3
161.09724	0.6
163.04028	0.8
163.07678	1.9
164.04715	0.7
165.01915	1.9
165.05559	1.2
165.09161	2.1
166.02693	2.2
167.10701	0.5
170.21387	0.5
175.07640	0.7
177.05614	0.5
177.09169	1.1
179.03549	3.7
179.07117	0.6
179.10820	0.7
189.09251	0.9
191.03516	1.3
191.07140	2.2
191.10800	0.9
192.07820	0.6
193.05080	0.6
193.08710	10.6
193.12312	1.0
195.10370	2.8
203.07109	1.1
205.05067	0.7
205.08707	2.2
206.09416	1.1
207.10260	0.6
214.09258	0.6
215.07281	0.5
217.08812	1.1
219.06541	0.8
219.10182	1.3
221.08136	0.9
230.45222	0.5
233.08199	1.9
233.11795	1.7
235.09712	1.7
247.09814	1.2
248.10477	1.7
249.11273	1.0
259.13300	0.7
261.11282	2.5
261.14984	0.9
271.17004	1.2
273.14975	0.6
275.12830	0.7
276.13687	3.7
277.10699	0.6
287.12805	1.3
289.14465	1.2
289.17819	0.6
303.15930	0.5
303.19547	0.8
304.13132	10.0
305.13571	1.4
315.15967	0.7
317.17572	1.2
329.21103	2.4
330.21863	0.8
331.19092	1.9
345.20807	3.6
346.20645	0.5
355.19067	2.2
356.19653	0.6
373.20142	100.0
373.23828	7.8
374.20535	15.5
374.24979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.01369	1.0
71.01378	0.3
71.05029	0.5
71.72752	0.4
79.01898	1.1
79.05493	0.5
81.03491	0.4
83.05026	0.4
85.06604	3.1
87.04506	0.6
95.05027	0.7
97.06599	0.4
99.08148	0.3
101.06104	0.3
109.02966	0.4
111.04526	0.7
116.41259	0.3
121.06579	0.4
122.03739	0.6
122.34191	0.3
123.04554	0.6
124.01673	0.7
125.02448	0.5
125.06104	7.5
126.06409	0.3
128.35814	0.3
132.93263	0.3
135.04572	0.5
135.08188	2.0
137.02475	4.7
137.06064	0.4
137.09760	0.9
138.03329	0.4
149.02417	0.5
149.09697	0.6
150.03250	4.9
151.03992	1.3
151.07629	0.8
153.09213	0.4
158.59258	0.3
158.94011	0.4
161.09706	0.7
163.03975	0.6
163.07646	0.3
165.09250	0.6
166.02701	0.8
175.11285	0.3
177.01947	1.2
177.05519	0.6
177.09193	0.6
178.02750	4.1
179.03490	0.8
179.10764	0.5
181.08693	0.3
185.09698	0.3
189.12869	0.4
191.07167	1.0
191.14453	0.3
192.07997	0.3
193.05035	0.5
193.08803	0.4
193.12357	0.4
201.09140	0.9
202.09943	0.3
203.10786	1.4
206.09454	0.4
210.01740	0.5
217.08910	0.3
217.12428	0.8
219.06630	6.6
219.09953	0.3
219.13892	0.4
220.07277	0.8
221.08261	0.5
229.16037	0.5
233.08136	2.3
234.08948	1.2
235.09772	2.8
236.10556	0.4
247.09814	0.9
247.17006	2.2
249.11386	0.6
249.14879	0.4
261.11169	0.4
261.14999	4.1
262.15305	0.6
266.08002	1.6
271.13452	0.4
271.16992	1.1
273.14978	0.3
276.13632	0.8
287.12869	1.3
289.14471	2.0
304.13321	1.6
315.16068	1.5
315.23254	1.3
317.13998	0.4
329.21173	1.8
330.21725	0.8
331.19138	0.8
345.20834	0.5
355.19183	3.6
356.19650	0.3
373.20209	100.0
373.27032	7.7
374.20578	16.2
374.28088	0.9
379.01086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98434	0.4
59.01383	100.0
60.01730	1.2
61.98840	0.8
69.80946	1.7
69.81355	0.9
70.92432	0.4
71.01395	6.7
73.02936	2.1
82.66540	0.4
83.01414	1.1
85.02948	3.2
89.02463	4.6
90.43649	0.3
94.06670	0.4
95.01419	0.9
98.19952	0.5
99.00922	0.8
101.02457	4.2
104.05103	0.7
107.03804	1.1
108.04589	0.6
113.02477	3.6
119.03519	2.3
122.06139	7.5
123.06483	0.6
131.03658	0.5
132.04579	7.2
134.06152	1.1
136.37894	0.4
139.02763	0.6
141.01987	0.7
143.05139	0.4
151.03981	0.4
151.07684	0.8
152.07205	12.4
152.08414	0.8
153.07538	0.5
160.04082	0.4
161.02367	0.5
161.04532	1.8
164.07210	2.6
176.03595	1.6
179.05640	0.9
190.05171	1.2
199.04051	0.6
208.06178	2.7
211.06067	2.7
215.03578	1.5
220.06100	0.9
230.02304	1.5
231.02805	0.4
243.02931	0.8
258.01688	4.3
259.02466	11.6
260.02878	1.0
260.05560	0.4
263.09366	0.4
269.12924	0.6
271.02353	0.5
273.00510	1.0
285.03943	0.4
287.01999	3.6
288.02386	0.4
297.12411	0.5
313.12177	0.6
314.00714	0.7
315.01477	5.4
316.01874	0.6
331.17725	1.6
341.11371	4.2
342.11737	0.6
342.93765	0.4
358.82498	0.4
373.05768	9.9
373.14145	13.4
373.18820	1.3
374.06049	1.2
374.14319	1.9
387.89929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.60428	0.6
54.55537	0.6
55.01883	1.3
57.03443	2.0
58.00592	4.2
59.01381	100.0
60.01709	1.3
60.25125	0.6
61.75376	0.5
61.98837	1.4
63.57839	0.5
69.66657	2.9
69.67068	1.4
71.01386	55.4
72.99320	4.9
73.02953	2.2
83.01402	4.0
85.02964	10.4
87.00893	2.5
89.02453	69.1
90.02774	1.2
95.01413	4.4
97.03010	0.6
97.40337	0.6
99.00906	1.1
101.02457	40.9
102.02770	0.9
107.01427	0.6
109.02968	0.8
113.02464	25.0
119.03517	35.6
120.03868	1.5
123.00998	0.6
123.04624	0.7
125.02480	1.9
131.03539	2.9
132.04543	0.9
133.02965	0.7
143.03542	3.7
149.02406	0.9
149.04602	1.5
151.00424	1.2
151.04103	0.7
151.07690	1.0
152.07190	1.0
161.04582	2.7
161.68356	0.7
163.03998	0.8
165.09248	3.6
179.05597	4.1
187.07710	0.7
193.12350	8.2
194.12738	1.0
205.55064	0.6
209.08253	2.2
210.08563	1.3
211.08813	2.0
211.13376	3.5
214.63277	0.6
219.02861	0.6
242.02267	0.7
258.01651	2.6
259.02472	0.7
261.00540	0.7
273.04001	2.6
274.09229	0.6
275.02142	0.6
283.02405	0.7
285.04047	5.5
288.99954	0.7
298.08508	1.3
299.81976	0.6
301.03555	2.3
311.05847	1.5
313.10873	2.9
329.06543	1.1
331.17847	1.0
343.12000	1.0
373.05579	9.2
373.09283	1.9
373.13339	4.1
373.18661	55.9
374.05774	1.0
374.18958	7.2
377.58408	0.5
386.50699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17813	0.2
59.01368	1.0
61.98838	1.4
63.02427	0.2
63.96256	0.3
65.00325	0.4
69.77836	1.7
73.72974	0.2
95.01381	0.3
109.02963	0.3
110.00072	0.2
121.98526	0.2
123.00896	0.4
124.01716	0.6
125.02460	0.5
125.06123	0.4
130.38611	0.2
135.98384	0.4
137.61809	0.2
139.04042	0.4
146.03746	0.3
151.00392	0.3
151.07686	0.4
153.01949	0.3
161.02443	0.3
171.45343	0.3
175.04158	0.3
177.05641	1.3
189.05504	0.3
191.03534	0.4
191.07152	0.3
203.03484	0.6
204.04343	0.3
205.01508	0.3
215.03506	1.0
217.01549	0.4
217.05081	3.6
218.05627	0.7
227.03481	0.8
229.01375	0.4
229.05133	0.5
230.02153	0.9
231.06499	0.4
234.05429	0.4
235.06075	0.3
235.09731	1.0
243.03021	0.5
244.03748	0.6
245.04536	5.5
246.04890	0.4
248.06918	0.3
256.03751	0.3
257.00803	0.4
257.04523	1.2
258.01590	1.1
258.05188	0.5
259.02451	1.3
261.03958	0.4
269.04562	1.1
273.04028	100.0
274.04379	9.4
275.05597	1.7
276.06281	0.6
286.04822	2.7
287.05582	1.5
289.03619	0.4
293.10626	0.2
304.05887	30.8
305.06219	3.2
373.09064	2.0
373.12930	55.2
373.19672	3.3
374.13297	7.5
374.20563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47139	0.5
55.01871	1.6
57.03451	1.9
58.00595	3.8
59.01381	100.0
60.01710	0.9
61.98828	1.2
69.92537	1.0
69.92950	2.6
71.01387	52.2
72.01736	0.7
72.99313	5.6
73.02966	1.2
83.01393	2.9
85.02959	10.9
87.00864	2.6
89.02457	60.7
90.02789	1.4
95.01389	3.2
99.00903	0.6
101.02458	39.1
102.02827	0.9
109.02998	1.1
113.02463	21.3
114.02802	0.6
119.03518	30.8
125.02441	1.5
131.03497	3.0
132.04532	0.7
133.03021	0.7
137.02428	0.6
143.03548	3.4
149.04555	1.6
151.00381	0.7
151.07678	1.1
152.07248	1.2
161.04593	3.5
163.04012	0.8
165.09251	3.1
179.05606	4.9
193.12363	6.9
205.01292	0.6
211.13420	4.3
241.05046	0.9
258.01682	1.3
261.00348	1.2
273.03906	0.7
283.05820	0.7
285.04004	2.2
301.03571	1.2
310.32098	0.6
311.05621	1.3
313.10757	1.9
329.06638	0.6
331.17767	0.8
341.11340	0.9
373.05673	9.1
373.13373	3.0
373.18661	53.4
374.05838	1.7
374.19009	7.2
386.98093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Citrifoside
Peak:m/z	Relative Intensity
52.22070	0.3
55.01881	1.5
58.00607	0.3
59.01381	28.6
60.01723	0.3
61.98833	4.0
63.02394	0.4
65.00342	2.0
69.03476	0.5
71.01387	4.4
71.72108	0.4
72.99309	0.6
73.02986	0.3
75.00890	0.8
78.53027	0.2
83.01396	2.3
83.05051	1.1
85.02962	0.8
87.00923	0.3
89.02453	2.8
91.01928	0.4
93.03478	1.1
95.01415	0.5
96.91348	0.2
99.72449	0.2
101.02471	2.0
106.04270	0.3
107.01411	2.9
107.05054	2.3
109.02958	4.6
113.02460	1.5
119.03529	0.7
119.05025	0.4
121.03003	0.9
121.06625	1.6
125.02458	1.3
125.06104	3.6
135.04565	0.6
137.02457	2.6
139.21794	0.3
143.04703	0.3
149.06105	14.3
150.06448	0.8
151.00389	8.7
151.01549	0.5
151.04027	12.3
151.07689	1.1
152.04388	0.6
161.04539	1.0
162.12592	0.3
165.09201	0.4
178.02763	1.5
185.90880	0.3
193.05074	100.0
194.05423	5.5
259.02313	0.7
267.07089	0.4
271.02359	0.8
324.74069	0.3
373.05896	1.0
373.11328	13.3
373.18924	0.6
374.11627	1.5
394.16489	0.3
396.82312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	0.5
59.01438	5.6
61.98887	1.3
66.03535	0.3
69.48696	0.7
69.49110	2.6
71.01102	0.3
71.01443	1.2
72.99344	0.5
73.03017	0.6
75.00916	0.5
81.03516	0.4
82.00639	0.4
85.02961	2.3
87.00929	0.6
89.02529	0.5
94.68368	0.3
95.01434	0.6
96.96063	0.7
97.02997	0.6
98.00143	0.3
99.00896	0.3
99.04554	0.4
99.92654	0.3
101.02526	0.8
105.03476	2.0
107.05134	0.4
108.02244	0.8
109.03030	1.3
110.00119	6.6
110.00815	0.5
110.02550	0.7
111.00947	1.2
111.04564	0.3
113.02485	2.6
115.92135	0.4
119.03506	0.4
119.05098	0.5
121.03012	0.8
121.06704	0.3
123.00914	1.4
123.04592	1.1
124.01681	2.3
125.02472	15.5
125.06150	0.4
126.02882	0.9
133.03026	0.6
134.03764	0.6
135.00989	0.4
135.04523	0.4
136.01666	0.6
137.02478	0.9
137.99617	9.0
138.03278	0.4
139.00407	6.7
139.04079	0.4
140.01164	1.0
141.02010	0.4
149.02425	1.3
149.06133	0.7
149.99609	1.9
150.03267	0.6
151.00394	0.8
151.04042	3.4
151.07767	0.3
152.01186	2.9
153.01961	100.0
154.02715	9.5
155.03546	1.8
161.02496	0.4
161.04507	0.5
163.04013	0.6
165.01978	0.4
165.05560	0.5
166.02710	0.8
167.03516	8.3
167.07219	1.6
168.00655	4.6
168.04303	47.9
169.01456	10.3
169.05086	25.0
169.06284	0.2
170.01765	0.4
170.05396	1.4
172.20488	0.3
177.01968	1.5
178.02565	0.3
179.03526	0.8
181.01472	0.3
181.04988	0.7
186.99286	0.3
191.03795	0.5
191.05605	3.7
193.01448	3.5
193.05087	0.9
194.01973	0.5
196.03662	0.5
209.04471	1.1
211.02437	0.6
211.06013	1.1
221.04478	0.6
250.21011	0.3
281.06393	0.5
299.07706	0.3
313.05612	0.6
313.09018	0.5
315.06982	0.8
331.10025	0.4
331.96887	0.3
337.14978	0.4
355.06299	0.5
373.00046	0.5
373.07422	10.5
373.19949	1.6
374.07568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98859	0.3
65.65578	0.2
66.03476	0.5
67.01894	0.3
69.03457	2.5
71.01389	0.9
71.37747	0.4
71.38074	0.4
81.03483	0.8
83.01413	0.7
85.02967	0.6
93.03485	0.3
95.01411	1.0
96.96026	1.6
97.02975	2.3
101.02474	0.3
103.45368	0.3
105.03484	1.1
107.01392	0.5
107.05067	0.3
108.02200	0.9
109.02999	0.8
110.00075	0.3
110.02485	1.6
115.92126	0.4
119.03597	0.2
121.02962	0.4
123.00876	2.4
123.04562	1.0
124.01688	5.9
125.02464	75.9
126.02813	2.6
126.08839	0.3
133.02913	0.4
135.04585	0.4
136.10765	0.3
137.02505	0.5
139.04036	0.5
149.02460	0.7
149.06105	0.4
149.99605	8.9
151.00302	0.9
151.04025	0.7
152.01207	0.5
153.01961	2.7
154.01530	0.4
156.32062	0.3
167.03491	1.9
167.07167	0.4
168.00664	18.2
168.04144	1.1
169.01443	100.0
170.01770	5.1
177.01912	0.6
179.03595	0.5
191.05635	0.7
193.01424	1.8
204.87096	0.3
210.06870	1.1
211.07616	0.3
273.54376	0.3
311.15024	1.0
331.06845	0.3
355.06696	1.5
355.64099	0.3
373.07736	33.4
374.07581	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	373.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11226	1.5
57.03178	2.3
57.03451	40.2
59.01380	11.1
61.98840	9.6
71.01372	6.7
72.99318	1.4
73.02963	3.7
75.00894	1.7
81.03463	34.1
83.01401	2.3
85.02971	2.8
89.02446	3.6
99.04551	2.6
99.92599	6.1
101.02460	28.1
104.53350	1.3
105.03507	9.9
107.05017	6.8
108.02190	5.1
109.02949	4.7
111.04542	3.0
113.02452	4.0
113.06107	100.0
114.06433	3.9
115.92120	4.9
121.03007	2.3
123.04534	6.2
125.02460	11.7
129.01959	3.1
133.02962	2.4
134.22267	1.3
137.02458	4.2
137.06102	2.0
138.95590	1.6
149.02489	2.8
149.06137	2.2
150.03271	7.4
151.04047	8.1
153.01970	9.1
161.04559	3.0
165.01967	7.5
166.02763	2.2
167.03468	5.5
167.07127	6.3
168.00601	2.3
168.04218	4.5
169.01465	14.3
169.05106	1.8
175.06140	73.5
176.06531	3.3
177.01945	3.5
178.02675	5.0
179.03572	1.4
181.05049	6.6
189.05510	3.4
191.05615	5.2
193.01476	13.4
193.03101	1.6
193.03429	1.7
193.05067	18.2
198.38750	1.6
200.00635	1.4
211.02405	2.5
211.05943	1.9
216.96143	1.9
217.96770	1.8
237.80920	1.6
261.95718	2.0
343.10449	14.3
355.10300	3.4
368.59201	1.5
373.00583	9.0
373.07199	16.1
373.11511	8.9
373.20401	2.6
374.00244	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	373.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01381	2.8
61.98842	4.0
63.54900	0.5
65.00338	0.9
70.28495	2.8
85.02933	0.6
87.00849	0.6
95.01392	0.6
98.19873	0.7
108.02191	6.2
110.00161	0.6
117.03490	0.7
122.03789	0.6
123.00904	2.9
123.04536	1.4
124.01703	4.2
125.02490	1.2
125.06083	1.2
126.53588	0.6
130.04277	0.8
133.02950	0.7
135.04527	0.6
136.48181	0.5
138.03227	1.2
139.04015	4.0
141.03580	0.6
143.05040	1.4
145.02965	2.2
146.03749	1.2
149.06079	0.7
151.00386	2.1
151.07687	0.8
153.01984	3.9
157.02945	1.4
158.03659	0.8
159.04515	0.7
161.02481	2.7
163.04010	1.2
171.04514	0.9
173.02472	1.6
173.06104	2.0
174.03258	5.3
175.07545	1.0
177.01997	1.1
177.05577	8.1
179.07162	0.8
185.02454	5.5
186.03188	3.5
187.03981	2.6
189.01958	1.3
189.05562	1.2
190.02650	1.1
191.03583	3.3
191.05098	0.6
191.07121	1.4
197.02509	0.6
199.03922	1.0
199.34850	0.5
201.01958	3.0
201.05615	0.7
201.09236	1.8
202.02655	3.4
202.09990	0.7
203.03387	1.5
203.07176	0.9
203.10736	1.4
205.01425	2.1
207.06572	1.0
213.01923	4.4
214.02637	2.4
215.03467	5.1
216.03853	0.9
217.01450	1.6
218.02219	0.6
219.06564	1.0
220.07341	1.7
227.03421	0.7
229.01408	12.1
230.02196	44.9
231.02551	3.8
234.05278	1.7
235.06094	2.0
235.09753	3.9
241.01396	1.7
242.02145	3.9
243.02927	2.7
245.00880	5.5
246.01443	0.6
249.07581	0.8
253.16325	1.9
257.00858	3.3
258.01675	100.0
259.02368	34.4
260.02753	3.0
261.14941	5.5
269.00827	0.9
270.01694	0.5
271.02451	4.5
272.02750	0.7
273.00391	25.1
274.01120	15.6
275.01489	1.3
276.06415	2.2
285.00327	3.9
285.18967	10.8
287.01965	20.2
288.02475	2.5
298.01169	6.1
299.01697	0.9
302.00610	2.8
313.14380	1.3
315.01395	4.1
315.08490	0.7
320.21655	0.5
329.06464	1.1
329.21228	2.2
341.06546	1.6
358.10684	2.6
373.05518	17.4
373.12903	6.9
373.20291	16.7
374.05841	2.6
374.20789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0566
Annotation	Gossypetin 7-methyl ether 8-acetate
Peak:m/z	Relative Intensity
58.35012	0.4
58.36497	0.4
59.01382	23.8
60.95641	0.4
61.98839	0.9
70.46705	0.9
70.47099	0.9
71.01388	2.9
72.29945	0.4
73.02941	0.5
83.01396	0.7
85.02962	0.8
89.02470	1.5
92.67111	0.3
95.01414	0.5
99.00918	0.6
101.02445	1.4
104.05074	0.4
107.03794	0.5
108.02190	1.2
109.02963	0.7
109.49114	0.4
111.36341	0.3
113.02470	1.3
119.03542	0.4
119.05061	0.4
121.03015	0.5
122.06138	3.0
132.04559	3.0
135.04535	0.5
137.02458	0.4
143.05035	1.5
145.02928	0.9
145.85136	0.4
147.04549	0.6
151.00406	1.1
151.07623	0.6
152.07179	4.2
156.26288	0.4
159.04521	2.1
161.02477	1.0
161.04613	0.9
161.06042	0.4
162.02902	0.5
163.04059	1.1
164.07182	0.9
169.02968	0.8
171.04498	1.2
173.02455	0.5
174.03241	0.9
175.04024	1.1
176.03587	0.6
185.02451	0.8
186.03166	0.8
187.04001	5.0
189.01958	0.9
190.05180	0.5
191.03542	1.0
191.05678	0.6
199.04004	3.2
200.00957	0.4
200.04405	0.4
201.02034	0.6
202.02748	1.0
203.03502	2.0
208.06122	0.9
211.06175	0.9
213.01956	0.9
214.02686	1.0
215.03517	11.2
216.03908	0.7
217.01379	2.4
227.03651	0.5
229.01337	2.1
230.02200	14.1
231.02911	3.5
241.01414	1.4
242.02112	0.6
243.02960	5.9
244.03345	0.5
257.00934	0.9
258.01678	31.9
259.02457	100.0
260.02780	8.1
265.34344	0.5
271.02481	3.1
273.00394	8.3
274.00687	0.7
285.00455	2.8
285.04062	1.8
286.04553	0.4
287.01971	36.3
288.02286	2.6
297.00391	0.4
301.07089	0.7
313.03583	1.5
313.12326	0.5
314.00708	2.7
315.01459	54.7
316.01846	5.4
331.17667	0.6
341.11469	1.3
345.06265	1.8
348.86469	0.4
373.05655	85.3
373.13867	5.2
374.05945	9.7
374.13910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67432	0.1
57.03446	0.9
59.01389	0.5
65.00307	0.9
68.80933	0.1
71.01394	0.1
71.29630	0.3
80.02712	0.1
81.03461	4.5
83.01395	1.1
83.05019	0.1
87.17220	0.1
91.37444	0.1
95.05073	0.2
97.02948	0.1
99.08169	0.6
101.06099	0.5
107.01404	0.7
108.02182	0.1
122.03751	2.0
123.04547	0.4
123.08178	2.3
125.02466	7.1
125.06101	4.0
126.02825	0.2
126.06482	0.1
137.09691	0.1
139.03966	0.1
141.09258	0.2
147.08269	0.1
148.01677	0.1
149.02434	1.0
151.00391	1.7
165.09221	26.3
166.02774	0.2
166.09537	1.7
167.03508	0.4
167.07187	0.2
176.04805	0.2
179.10693	0.2
190.02869	0.1
191.07097	0.8
192.07452	0.1
200.50002	0.1
205.08707	0.4
207.40530	0.1
209.08192	100.0
210.08530	7.8
221.31223	0.1
233.08168	0.6
248.91231	0.1
251.09254	1.9
251.29163	0.1
269.06583	0.1
281.10327	0.3
367.07315	0.1
371.13480	1.4
372.14136	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	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46017	1.1
51.46274	1.3
57.03432	1.9
58.00587	4.0
59.01381	100.0
60.01701	1.7
61.65088	1.1
61.98834	2.2
67.21806	1.2
68.49840	1.2
71.01391	70.4
72.01691	1.7
72.99315	5.1
73.02956	1.8
81.03481	2.6
83.01396	2.8
84.82568	1.2
85.02959	12.4
87.00886	3.9
89.02455	91.1
92.33253	1.2
93.03446	5.9
94.06625	1.4
95.01421	5.8
101.02458	29.5
107.01453	1.7
110.77489	1.2
111.00888	1.1
113.02470	27.3
119.03521	28.9
122.06120	9.1
124.07705	1.6
125.02442	3.9
131.03497	4.1
137.02498	9.5
143.03531	3.9
149.04590	2.1
151.00360	2.9
151.38582	1.3
152.07202	14.8
153.07512	1.3
161.04576	3.5
162.05634	12.7
165.09218	10.5
167.03477	1.4
173.04546	1.2
173.76938	1.2
179.05600	5.6
189.74374	1.3
197.11777	3.5
206.04550	6.0
209.08183	9.2
230.33960	1.2
251.09210	3.3
299.14099	1.3
326.03061	1.6
327.13190	2.2
343.13135	1.7
366.59927	1.3
371.12323	26.8
371.24640	2.1
372.01703	7.0
372.12793	2.1
381.34979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	multifidol glucoside
Peak:m/z	Relative Intensity
57.03443	0.3
59.01382	1.3
61.98845	0.2
63.87593	0.1
65.00309	0.8
67.01889	0.1
69.03450	0.1
70.11120	0.1
71.01380	0.5
71.05042	0.3
71.72459	0.2
79.01905	0.3
79.47917	0.1
81.03466	4.6
83.01402	1.0
85.06573	0.2
87.00903	0.1
87.04527	0.1
93.03470	0.4
95.01422	0.2
95.05025	0.9
97.02958	0.9
99.08163	1.0
101.06091	0.6
107.01399	0.4
107.05064	0.2
109.03004	0.3
109.06620	0.3
111.04543	1.1
116.44214	0.1
121.02955	0.4
121.06603	0.2
122.03718	0.2
123.04559	0.4
123.08192	2.4
124.01685	0.2
125.02480	3.6
125.06107	4.3
127.07662	0.4
128.67625	0.2
131.01422	0.2
135.04552	0.2
136.05328	0.8
137.02498	0.3
137.06065	0.2
138.03162	0.1
139.04041	1.4
140.04449	0.1
141.09225	0.6
147.08162	0.8
149.02507	0.9
149.06104	0.1
150.03259	0.2
150.06906	0.3
151.00432	0.9
152.01155	0.8
153.05557	0.2
163.04091	0.3
165.01932	0.4
165.09236	34.2
166.02716	0.3
166.09601	2.3
167.07181	0.4
175.00374	0.4
175.07635	0.2
177.09232	0.2
179.03419	0.2
179.07155	0.7
179.10753	0.4
180.04190	0.1
181.05000	0.2
191.07175	1.7
193.08699	1.0
205.08684	0.9
207.06668	0.3
207.10178	0.2
208.07387	0.4
209.08208	100.0
210.08553	8.0
210.10081	0.1
210.10666	0.2
215.07143	1.0
221.08177	0.6
222.08942	0.3
223.09793	2.4
224.10155	0.3
233.08197	24.8
234.08537	2.3
251.09247	9.8
252.09605	0.7
257.04617	0.2
263.09241	2.9
264.09564	0.4
269.04660	0.2
275.09268	0.4
281.10464	0.2
293.10257	0.2
311.11389	0.7
327.08716	0.4
353.12350	0.3
371.13507	9.8
372.13760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
70.13607	1.4
71.01392	1.2
73.02957	0.5
77.02841	0.4
78.84494	0.3
79.05538	0.5
81.03468	1.3
83.01363	0.3
85.02977	0.4
91.01897	0.8
96.49266	0.3
101.02472	0.4
113.02485	0.3
121.10246	3.5
122.03759	1.1
123.08183	3.8
147.08183	0.6
165.09225	100.0
166.09569	5.5
182.57178	0.3
191.07152	11.3
192.07501	0.6
207.10332	0.4
209.08203	5.7
298.64581	0.3
317.28561	0.3
361.95251	0.3
365.23233	0.3
371.13477	77.6
372.13797	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.5
59.01371	0.7
65.00321	0.6
69.03458	1.6
69.69627	3.3
69.70016	1.1
71.01414	0.5
71.05024	0.6
80.02692	0.7
81.03461	9.1
83.01388	4.3
85.03008	0.4
85.06564	0.5
93.03436	0.6
95.01417	0.8
95.05036	13.5
97.02959	5.6
99.04537	2.6
99.08167	3.1
101.06091	3.1
107.01395	0.9
107.05055	0.7
108.02209	0.6
109.02955	1.3
111.04551	0.9
113.02498	0.8
122.03755	1.8
123.00845	0.5
123.04536	4.7
123.08172	5.1
125.02462	22.3
125.06097	10.3
137.02490	3.4
137.09726	0.9
139.04018	0.9
141.09218	1.7
149.02477	0.5
150.06830	0.4
155.03494	1.2
161.09802	0.6
163.07660	0.8
164.08464	2.5
164.18964	0.5
165.09238	13.7
166.09512	0.6
167.03499	16.6
167.07153	2.3
179.10788	13.3
181.08702	0.9
183.10287	1.8
189.09219	1.0
191.07228	1.0
191.10770	0.7
197.04634	1.4
203.07176	0.9
205.08727	0.9
207.10275	3.3
209.08197	30.7
210.08545	1.1
219.10245	0.9
221.08191	7.3
223.09731	1.8
233.08238	1.0
235.09720	1.9
248.06950	1.5
251.09236	100.0
252.09563	7.1
263.09262	1.9
267.89966	0.5
281.10300	24.7
282.10684	1.9
293.10260	1.0
353.12344	1.3
371.13480	11.3
372.13812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.68026	0.1
55.01888	0.3
57.03457	0.2
59.01381	0.5
61.98814	0.2
65.00345	0.1
70.50111	0.1
71.05024	1.4
77.03977	0.2
79.01897	1.6
83.01422	0.2
85.06593	1.2
87.04517	1.0
91.60954	0.1
95.05038	3.1
96.05402	0.2
97.02957	2.3
99.08194	0.2
107.05041	0.2
109.06624	1.3
111.04527	2.3
121.02991	0.7
122.03756	0.3
123.04579	0.1
123.08175	2.8
124.08569	0.1
135.04538	0.3
137.02538	0.1
138.03241	0.2
139.04030	9.2
140.04376	0.4
141.09200	0.3
142.88556	0.1
147.08200	0.9
149.06010	0.2
150.06850	0.6
151.04033	0.1
153.05547	0.2
163.04076	0.6
163.07646	0.9
165.01955	1.1
165.09225	17.4
166.02690	0.6
166.09543	1.1
167.07176	0.3
189.09425	0.1
191.07147	1.5
192.07495	0.2
193.05058	0.1
205.04895	0.1
205.08713	0.2
207.06699	0.2
209.08197	100.0
210.08530	6.8
233.08209	0.7
243.93579	0.1
251.09221	1.1
283.08255	0.1
371.13510	1.7
371.35049	0.1
372.13821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98072	0.3
59.01377	1.8
60.27542	0.3
60.80272	0.3
63.40636	0.3
69.03455	0.4
71.01387	2.8
73.02944	0.5
75.00882	1.5
81.03470	0.6
83.01425	0.5
85.02970	2.1
86.37614	0.3
87.00892	0.7
91.01903	0.5
95.01381	0.5
98.19837	0.7
99.00903	0.4
99.60471	0.3
101.02446	0.4
103.00385	0.3
105.07080	0.3
113.02465	2.6
117.01986	0.3
121.01582	0.3
121.02981	7.1
121.06587	0.5
121.10255	6.3
122.10602	0.6
123.08179	9.5
124.08508	0.7
135.04561	0.6
136.05309	1.2
165.09222	100.0
166.09557	6.0
167.03520	0.8
175.02452	0.3
175.79831	0.3
191.07146	6.7
192.07458	0.3
209.08226	2.9
231.05040	0.6
249.06128	6.9
254.48750	0.3
371.13519	60.9
372.09705	0.4
372.13846	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01383	2.9
62.03323	0.3
63.28976	0.3
65.34589	0.3
70.02856	1.1
71.01389	4.2
72.99302	0.9
73.02943	0.7
75.00877	3.1
77.36674	0.3
81.03443	1.0
83.01396	0.7
85.02959	4.5
87.00880	1.3
89.02432	0.5
91.01878	0.9
91.15504	0.3
95.01376	1.1
98.19954	0.5
99.00887	1.8
101.02454	0.4
102.83447	0.3
105.07113	0.5
113.02480	3.3
117.01960	0.6
119.92031	0.3
121.02973	14.9
121.10248	7.4
122.03313	0.5
122.10550	0.6
123.08183	11.0
124.08459	0.7
135.04544	0.8
136.05293	1.5
147.08217	0.7
165.09225	100.0
166.09572	7.1
167.03467	0.6
175.02516	0.6
191.07146	6.2
192.07501	0.5
209.08174	2.4
231.05055	1.1
249.06137	10.5
250.06531	0.9
258.20303	0.3
263.11295	0.3
274.21408	0.3
340.61087	0.4
349.55359	0.4
371.09695	5.7
371.13586	49.4
372.09982	0.6
372.13913	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	371.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11884	0.5
57.03448	0.5
59.01387	4.7
61.98827	1.0
64.10648	0.4
67.01900	0.5
67.33604	0.4
67.93180	0.5
69.73186	1.2
69.73594	2.0
71.01369	2.3
73.02959	0.7
83.01392	1.0
85.02950	0.7
88.71381	0.5
91.01907	1.9
93.03474	0.6
93.81061	0.5
95.05041	0.8
97.03017	0.5
98.19879	1.0
101.02455	1.3
105.03490	1.7
113.02459	0.5
113.43949	0.4
117.03482	0.7
119.05048	5.9
121.02972	2.2
121.06644	0.6
121.10197	0.8
122.03741	0.5
123.08155	2.3
125.02412	1.1
133.03062	0.7
135.04510	1.4
135.11823	0.9
136.05403	0.6
137.02464	0.5
139.04019	4.3
146.03734	1.7
147.04543	3.8
147.08153	1.0
148.01721	1.3
149.02472	0.9
149.05974	0.6
149.09758	0.5
158.03754	2.0
159.04535	8.0
161.02483	2.8
161.09740	3.9
162.03162	0.6
163.04065	0.7
165.09235	19.1
166.09535	1.8
167.03502	0.8
172.42349	0.4
173.02444	0.6
177.01956	0.5
177.09236	8.0
179.03566	0.5
179.10805	8.5
180.11153	1.1
189.05565	1.4
189.09229	3.5
190.02815	0.6
191.03641	0.5
191.05495	0.7
191.07155	8.7
191.10783	3.4
192.07578	0.7
201.09254	5.2
203.07156	0.7
204.07932	1.2
205.08714	10.9
206.09088	0.6
207.10266	1.3
209.08224	10.6
210.08450	1.0
215.73373	0.5
217.08754	0.9
217.41187	0.5
219.10249	2.2
221.08340	0.8
233.08202	100.0
234.08536	8.5
235.09821	0.7
245.08138	1.3
249.05933	0.5
251.09254	70.7
252.09563	5.9
263.09247	57.5
264.09613	6.3
275.09283	2.8
276.09592	0.7
281.10318	23.8
282.10660	3.0
293.10260	1.4
305.10144	0.6
317.10315	1.3
335.11371	3.3
335.17151	1.9
353.12415	5.9
354.12680	0.5
371.13501	60.0
372.09317	0.8
372.13766	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	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03443	0.4
58.00581	0.5
58.98976	0.1
59.01380	10.9
60.01686	0.2
61.98815	0.4
63.02395	0.4
65.00329	0.5
69.64003	1.1
71.01387	5.3
72.99304	0.6
79.05532	0.2
81.03460	0.9
83.01399	1.0
85.02959	1.3
85.49136	0.1
87.00887	0.2
89.00341	0.3
89.02454	5.7
90.02795	0.2
91.01887	0.2
91.05544	0.5
93.03494	0.2
95.01398	0.4
95.05032	0.2
97.02942	0.2
101.02457	4.2
102.04765	0.4
103.05553	1.9
105.03480	1.2
107.01431	0.7
109.02966	0.2
113.02461	2.3
119.03529	2.5
119.05038	1.2
121.02980	1.0
121.10294	0.8
122.03794	0.1
123.04555	2.5
123.08177	1.1
125.02458	4.7
131.03546	0.3
135.04549	0.5
135.35335	0.1
137.06085	1.1
143.03487	0.3
147.04546	2.6
148.01622	0.2
149.02486	1.1
149.04529	0.2
149.19046	0.2
163.04034	0.7
165.09222	12.2
166.09531	0.8
167.03505	0.1
171.28345	0.1
174.07933	0.1
176.01208	0.3
179.05707	0.3
181.05077	2.9
191.03513	100.0
192.03845	7.1
192.05643	0.2
192.07469	0.1
209.04555	1.3
209.08214	0.5
217.99765	0.1
222.39977	0.1
230.56906	0.1
249.06319	0.2
289.07208	0.8
371.09750	8.4
371.13605	5.7
372.09940	1.3
372.13928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80259	0.8
57.03446	1.4
59.01374	5.5
71.01389	2.6
71.58847	1.8
72.99326	2.1
75.00879	2.5
81.03468	1.4
82.21420	0.8
85.02966	9.8
87.00883	4.6
93.03471	6.3
99.04518	2.2
101.02492	1.3
108.02195	23.5
109.02900	1.5
111.04545	1.9
119.05088	1.0
123.04543	14.6
124.62356	1.0
127.04029	1.6
128.79498	0.9
133.03026	1.9
134.03146	1.2
135.03555	1.2
135.04541	28.8
137.02495	1.4
147.04568	1.3
152.01170	26.3
155.03470	1.0
161.04578	3.2
165.05557	3.0
167.03516	54.6
168.03831	2.8
173.04576	6.5
177.01959	1.1
179.03564	1.1
179.05666	4.4
191.03719	3.7
191.05623	100.0
192.06000	5.7
193.05971	1.2
197.04576	3.7
209.04543	3.1
311.07727	2.9
353.08694	2.7
371.09787	14.3
372.10208	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	371.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90694	0.3
55.79591	0.3
57.03425	0.4
57.38910	0.3
59.01381	1.4
70.88450	0.7
70.88819	0.7
71.01379	0.6
73.02943	0.4
83.05034	0.4
85.02959	9.2
87.00869	1.9
93.03479	2.9
99.04538	0.3
109.02973	0.9
111.04536	1.3
127.04036	2.3
130.46686	0.3
155.03613	0.4
171.03009	0.5
173.04549	1.0
191.05627	100.0
192.05980	4.0
219.77480	0.4
255.39417	0.3
303.73682	0.4
389.53009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01878	0.9
57.03461	2.8
57.73247	0.6
58.00600	0.7
59.01380	20.1
61.98851	0.6
67.01930	0.5
68.99806	1.2
69.03459	1.0
70.25174	2.5
71.01385	17.9
72.99315	5.8
73.02958	2.8
75.00877	19.0
83.01395	1.1
85.02959	23.0
85.59820	0.5
87.00883	7.9
89.02451	6.2
93.03490	1.2
95.01404	6.0
98.20531	0.8
99.00896	10.5
101.02470	2.4
103.00384	3.6
111.00874	1.0
113.02461	30.9
114.02812	1.1
115.00404	1.8
117.01960	3.1
119.03499	0.8
121.02970	100.0
122.03303	4.9
127.07706	0.8
128.57950	0.5
129.01961	1.8
131.03514	0.7
145.29056	0.5
148.07722	0.7
152.47031	0.7
157.01431	1.0
165.09235	2.5
171.06676	1.0
175.02484	4.2
193.03568	1.9
231.03145	0.5
231.05086	3.5
249.06133	25.6
250.06529	1.7
311.07916	0.9
317.39615	0.6
353.08798	2.0
371.09796	87.6
371.13208	4.6
372.10159	9.9
372.14511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03442	2.6
58.00591	0.5
59.01381	18.5
61.08904	0.5
67.01885	1.0
68.99826	2.1
69.03451	1.6
69.68577	0.5
69.69203	3.1
71.01388	18.6
72.99314	4.9
73.02948	2.6
75.00879	18.7
79.43453	0.5
81.03479	1.7
83.01393	1.5
83.05046	0.7
85.02959	21.0
86.03278	0.4
87.00875	6.3
89.02448	5.1
90.88888	0.5
91.04009	0.9
93.03477	1.7
95.01392	4.8
97.02955	0.5
99.00893	10.7
101.02465	0.8
103.00385	2.3
109.02973	0.7
111.00870	1.0
111.04536	0.5
113.02465	25.3
114.02785	0.8
115.00446	2.2
117.01956	4.0
121.02971	100.0
121.10258	5.1
122.03291	4.1
123.08176	7.7
124.08496	0.5
129.01968	2.0
135.04463	0.5
136.05302	0.8
147.08165	0.6
149.70767	0.4
157.01456	1.2
159.56703	0.4
165.09221	99.5
166.09547	5.8
169.53386	0.5
169.88338	0.5
170.87701	0.4
175.02536	3.0
189.04086	1.3
191.03482	0.6
191.07179	6.6
192.07428	0.5
209.08072	2.5
231.05081	7.1
249.06139	68.8
250.06535	4.3
274.65829	0.5
304.06375	0.4
307.00620	0.4
311.07794	0.7
353.08783	1.4
365.24530	0.4
371.09726	49.9
371.13583	39.8
372.10068	6.2
372.13971	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70280	0.6
54.67930	0.5
55.01882	0.9
57.03444	1.6
59.01379	11.9
67.01890	1.3
68.99815	1.3
69.03467	1.1
71.01391	12.1
72.99310	3.5
73.02952	1.3
75.00880	13.3
81.03474	1.0
83.01396	1.2
85.02957	16.1
85.03444	1.1
87.00873	4.3
89.02454	2.2
93.03475	1.0
95.01399	4.0
97.02940	0.7
98.20685	1.0
99.00894	7.6
103.00417	1.4
105.07148	0.8
109.02969	1.1
109.86236	0.5
111.00911	1.0
113.02465	19.7
115.00384	1.5
117.01963	3.3
120.65694	0.6
121.02972	72.4
121.10289	3.5
122.03334	2.2
123.08174	3.9
129.01961	1.8
138.13828	0.5
143.88408	0.5
147.83580	0.5
157.01451	0.7
162.79770	0.6
165.09224	100.0
166.09575	4.7
167.03545	0.6
175.02429	2.6
189.04109	0.6
191.03528	0.7
191.07173	7.5
209.08252	3.0
231.05153	4.5
249.06149	58.5
250.06514	3.2
320.66785	0.5
353.08801	1.4
371.09692	43.4
371.13562	50.9
372.09717	4.5
372.14185	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53452	0.3
59.01380	4.1
61.98846	1.4
67.01892	0.3
69.37336	3.4
70.15823	0.3
71.01394	1.7
71.75600	0.3
73.02968	0.3
80.02692	0.5
80.91700	0.4
81.03460	0.4
85.02959	0.6
87.00881	0.4
89.02436	0.5
93.03474	0.8
95.01434	0.4
101.02460	0.7
108.02192	54.8
109.02511	2.0
113.02477	0.5
119.05051	0.4
121.02981	1.3
123.00827	0.4
123.04546	24.6
124.04897	1.3
125.02398	0.3
135.04543	0.8
137.06075	0.3
144.74716	0.3
149.02440	0.4
152.01178	42.1
153.01527	2.0
164.08443	1.0
165.05637	1.2
165.09244	4.3
166.05077	0.5
167.03520	100.0
168.03851	5.2
173.04567	2.8
177.01921	0.9
191.03731	0.4
191.05629	0.8
197.04559	0.7
209.04585	1.0
209.08226	0.4
223.08310	0.4
267.17703	0.3
303.79800	0.3
371.09830	3.5
371.13666	2.4
372.10403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0774
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.05920	0.5
54.52544	0.5
54.73957	0.4
56.01616	0.4
57.03437	0.8
59.01380	4.7
61.28019	0.4
61.98827	1.8
63.96243	0.9
65.00330	1.0
69.68794	3.5
71.01364	0.4
72.99312	0.7
73.98309	0.6
74.99097	1.0
83.01386	0.9
85.02971	0.6
101.06113	0.5
107.01408	1.3
117.97369	0.7
119.01409	0.7
122.86291	0.5
125.02507	0.8
125.05996	0.6
131.01378	1.3
135.04495	0.4
135.98380	2.8
136.99100	0.7
151.00397	6.2
152.40993	0.4
153.12854	1.6
157.06581	0.6
159.00870	1.0
159.04543	0.8
165.09189	1.2
169.01382	1.3
173.04631	0.8
173.06029	0.7
187.00386	15.9
188.00748	1.2
197.06046	1.1
197.11823	0.9
199.04008	0.8
199.07597	0.5
201.01898	0.6
201.05588	2.2
209.03038	0.8
209.08147	1.2
211.07649	0.8
214.99843	1.8
215.06989	0.9
217.01411	3.8
222.06683	0.4
222.23709	0.4
225.05545	2.3
227.03510	0.9
229.01466	0.6
238.06328	0.6
239.07060	1.2
240.04260	0.9
241.05147	3.0
242.02115	0.8
242.05775	1.7
242.99324	13.3
243.06567	2.9
243.99829	0.8
254.05888	0.9
255.06583	3.5
256.03662	0.7
256.07394	2.4
265.04889	0.6
267.06525	1.8
269.04431	2.2
270.05273	2.0
270.98825	43.3
271.06082	1.6
271.99139	3.4
273.00522	0.7
274.01190	0.5
281.04382	0.5
283.06110	6.4
284.06744	1.5
286.98386	6.2
293.04495	1.6
295.05972	0.6
296.03152	0.9
298.01050	0.5
298.04865	0.5
299.02304	0.6
299.05585	1.4
301.07123	1.4
302.00998	0.9
302.04321	2.8
309.04050	3.6
311.05615	20.2
312.05920	2.2
315.05255	0.7
315.08835	1.5
322.04733	1.4
325.07297	2.1
327.05206	0.8
327.08871	2.0
332.05341	1.3
339.05096	2.5
343.08240	18.1
344.08582	2.2
353.06610	1.8
353.10370	0.7
371.07645	100.0
371.11398	9.4
372.07999	14.4
372.11929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90508	0.4
59.01380	7.5
69.03403	0.5
71.01373	1.0
72.99309	1.8
80.74249	0.4
81.03429	0.8
84.89871	0.4
85.02967	1.5
91.05572	1.2
93.03442	2.4
98.20645	0.9
107.05026	2.0
108.02188	34.4
109.02483	1.3
109.06566	0.5
111.04511	0.9
113.66982	0.5
117.03521	0.6
121.02979	6.8
123.04543	18.0
124.04899	0.7
133.02989	0.8
135.03603	0.8
135.04552	8.0
136.04950	0.6
136.49406	0.4
137.02455	0.4
140.12857	0.5
147.04498	1.8
152.01173	48.8
153.01511	1.9
153.05569	2.0
155.03488	0.7
165.09282	0.6
167.03514	100.0
168.03859	4.6
173.04602	3.3
174.03247	0.5
177.01988	0.5
178.09486	0.5
179.03578	1.2
189.05528	0.6
191.03551	5.8
191.05629	6.1
192.06012	0.8
197.04578	10.7
198.04988	0.9
209.04578	11.8
210.04916	0.7
229.25404	0.5
248.72795	0.5
311.07773	5.8
371.09515	4.0
372.10345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03457	3.7
58.00582	2.7
59.01382	47.5
61.98826	2.3
63.69292	0.6
71.01389	24.8
71.72652	0.8
72.99319	16.1
73.02943	2.0
73.99682	0.7
75.00870	1.3
79.05530	1.6
80.91755	0.7
81.03467	1.4
83.01405	2.7
85.02970	8.6
87.00886	4.8
89.02462	23.6
93.03468	1.4
95.01399	1.8
97.06635	0.7
99.00906	1.0
101.02460	15.8
102.02825	0.8
104.63887	0.6
105.07109	4.6
107.05015	0.7
109.03005	0.9
111.04562	0.6
113.02460	8.1
119.03516	7.7
121.10237	2.5
122.03745	1.5
123.04561	0.9
123.08193	4.0
130.32610	0.7
131.03532	0.9
143.08667	3.8
144.05843	0.9
145.10249	2.1
146.07430	0.7
149.04590	0.8
150.03291	1.0
159.08180	2.0
161.09740	2.9
163.11310	1.2
165.09241	62.7
166.09593	3.0
179.05635	1.3
179.10791	1.8
189.09242	13.0
190.09512	1.3
191.05620	5.0
192.05923	0.8
199.80853	0.6
207.10286	38.7
208.10585	2.7
237.14970	1.4
251.56535	1.1
253.05093	1.2
255.03008	1.2
256.03714	2.5
281.14084	1.2
326.07971	1.2
335.38690	0.7
351.04031	0.7
369.15561	100.0
370.15872	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	367.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93848	0.9
57.03448	2.1
59.01393	6.5
61.98834	100.0
65.59316	0.8
69.50871	5.2
69.51295	2.8
71.01374	1.0
71.05085	1.0
87.04518	1.1
93.03484	1.2
93.09975	0.8
98.20581	1.8
100.25468	0.8
114.82410	1.2
119.05095	1.1
121.03001	0.9
145.02969	9.7
169.08740	1.0
200.04735	1.1
228.04343	1.2
232.03754	1.7
238.08412	1.6
249.22231	45.6
250.22549	4.9
293.21234	40.8
294.21561	4.8
307.10352	1.0
311.22299	2.8
338.56262	0.9
367.08572	1.6
367.15338	25.8
367.25037	6.1
368.15833	4.3
368.25439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01367	1.6
60.99291	3.0
67.01893	5.3
69.03452	1.5
71.01386	3.3
77.03953	0.6
79.20167	0.6
79.42552	0.6
81.03455	1.5
85.02957	7.7
87.00887	9.8
87.01372	1.1
93.03471	42.1
94.03804	2.1
95.05022	1.2
99.00871	1.0
105.03491	3.3
107.05020	1.0
109.02965	2.6
111.04551	6.4
121.03004	0.9
122.03722	1.0
123.03723	1.1
123.04559	18.7
123.44971	0.6
124.04871	0.7
127.04065	1.5
129.01997	1.4
133.02975	31.0
134.03282	1.3
135.04521	2.5
137.02499	1.1
139.30284	0.6
149.02490	1.3
150.03151	0.7
151.04002	1.7
155.03470	1.8
171.03075	0.8
173.04565	33.9
174.04970	1.6
177.01941	12.8
178.02304	0.7
179.03569	1.6
191.05627	100.0
192.05980	5.5
195.03008	12.3
196.03264	0.9
215.05630	6.1
307.08072	1.2
318.40366	0.6
319.79810	0.6
351.07211	8.4
352.07388	0.9
369.08261	17.3
369.12857	1.2
370.08646	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	367.1765
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
55.01880	5.5
57.03452	5.5
58.63852	0.7
59.01381	10.0
61.98827	3.4
68.99811	1.1
69.03463	2.4
71.01383	6.1
71.72272	1.0
77.03938	0.9
77.99453	0.8
79.01920	0.9
81.03463	1.5
83.01385	6.5
85.02969	3.6
85.06597	2.3
87.00906	0.7
87.04525	2.2
93.03465	2.1
95.01382	1.5
95.05025	4.7
95.66296	0.7
97.02940	3.6
97.06593	2.5
99.00887	5.5
99.04534	0.9
101.02467	1.1
102.52058	0.7
107.05033	2.3
108.02234	1.0
109.02956	4.9
110.74211	0.7
111.00904	0.9
111.04532	50.3
111.08168	1.5
112.04891	2.0
113.02484	1.1
113.06095	2.7
119.05038	1.1
120.02212	1.2
120.99603	0.7
121.02972	3.5
123.00917	4.7
123.04485	1.9
123.08175	1.4
124.01677	2.6
125.02461	22.7
125.06107	1.9
125.81258	0.7
130.82475	0.8
131.05048	1.7
133.02939	1.4
135.00952	0.7
135.04527	2.4
136.62820	0.7
137.02461	35.4
138.02797	1.3
139.04034	0.9
139.07683	1.8
141.01962	12.8
141.05598	4.0
146.03775	5.0
147.04460	0.8
149.02449	1.8
149.06058	1.4
150.03217	1.4
151.04033	5.7
153.02011	0.9
155.07118	1.7
158.03773	1.3
163.00348	2.2
164.01170	22.1
165.01955	42.4
166.02338	2.2
167.03474	1.2
167.07167	10.1
169.05075	33.9
169.82462	0.9
170.05473	1.8
172.05313	13.0
173.06058	3.8
174.06845	0.9
175.03975	1.4
175.07619	3.2
177.01936	12.3
178.02278	1.0
179.03511	5.1
179.07111	1.1
181.05081	4.4
183.06635	2.2
185.06149	2.2
186.06839	2.6
187.07652	5.9
189.09242	5.5
190.02724	6.8
191.03436	2.8
191.05612	5.1
193.05109	2.0
195.03006	1.3
195.04947	1.1
195.06599	7.6
196.07011	1.0
199.07582	1.5
200.04785	5.3
200.08353	2.0
201.09227	32.3
202.09566	2.5
203.10739	1.0
209.06236	0.9
210.06982	0.7
211.06110	55.7
212.06523	2.2
214.06485	0.9
223.06116	2.4
225.05560	1.6
227.07127	1.3
229.08696	19.0
229.59308	0.8
230.09073	1.3
236.04541	0.9
239.10793	2.1
241.08688	2.4
249.14934	2.7
251.07124	1.5
252.07959	1.9
253.05409	1.0
257.11804	2.5
265.08636	1.1
270.08929	1.8
280.11163	0.8
281.11816	6.4
283.09744	3.3
293.08115	1.0
294.08917	3.6
295.09647	1.7
295.13098	0.9
296.07074	0.8
299.12845	7.6
307.09866	1.1
307.17651	1.4
321.17017	2.7
323.12866	17.7
323.21664	0.9
324.13223	2.3
325.10999	1.3
339.17938	1.0
349.10886	2.8
349.16580	28.6
350.16861	2.1
353.54944	0.9
367.11880	74.0
367.17572	100.0
368.12256	11.2
368.17923	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1554
Annotation	Kanzonol P
Peak:m/z	Relative Intensity
57.03417	0.8
59.01384	3.1
60.57008	0.4
61.98824	3.5
71.29310	1.1
76.20303	0.5
85.02958	0.6
91.01927	0.8
93.03465	1.1
96.96009	0.9
97.06549	0.5
101.03966	2.0
104.08395	0.4
109.02962	1.4
111.04540	1.4
117.03509	0.7
119.05029	0.9
121.02953	0.9
123.08120	0.5
125.02383	0.5
126.99514	0.5
131.54425	0.4
133.02991	0.8
136.98840	0.5
137.02446	1.2
145.02971	56.6
146.03308	3.5
155.03603	0.5
169.05101	0.7
169.06573	1.6
171.04424	1.0
173.02390	0.6
173.13187	0.4
183.04524	0.5
183.08221	0.6
184.05365	1.0
186.03183	0.6
191.05615	1.4
199.04019	8.3
200.04451	0.5
211.03908	0.8
211.07631	0.7
212.04796	12.2
213.05528	5.1
214.02682	0.8
215.03493	4.1
218.02176	0.9
225.05569	1.6
227.03514	22.5
228.04091	3.0
232.03796	4.8
239.03474	1.6
239.07063	0.5
240.04181	1.4
241.05042	1.6
241.08784	0.9
253.04904	0.5
253.08745	4.3
254.09258	1.0
255.06635	16.5
256.06955	1.6
269.04691	0.5
270.08896	5.3
281.08176	5.2
281.11453	1.1
282.08386	0.8
283.06128	26.8
284.06500	3.2
285.04007	0.6
298.08459	10.9
299.08719	0.9
302.07916	1.6
303.01965	0.6
309.07697	0.5
309.11133	1.0
349.13263	0.6
350.36145	0.6
367.15500	100.0
368.15811	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	367.1763
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
55.01880	2.6
57.03437	0.6
59.01390	3.3
61.98817	0.8
65.74102	0.4
68.99830	1.2
69.03455	0.4
69.57414	3.6
71.01389	2.0
73.02954	0.6
78.56995	0.4
81.03494	0.4
83.01407	1.3
85.02963	2.4
85.06592	0.9
87.00884	0.4
87.04512	0.6
91.33866	0.4
91.63096	0.4
95.01428	0.6
95.05042	2.4
97.02975	0.8
97.06620	0.7
99.00884	2.8
101.02393	0.4
105.72754	0.4
111.00906	0.8
111.04536	29.0
111.08152	0.6
112.04867	0.8
113.06109	1.8
116.40649	0.4
121.02978	3.0
123.00884	2.8
123.08209	0.5
124.45490	0.4
125.02434	1.5
125.06100	0.8
125.52602	0.4
137.02444	0.9
139.04019	0.5
139.07657	1.4
141.01964	7.2
141.05606	2.4
147.04518	1.8
148.05322	100.0
149.02536	0.4
149.05624	5.5
150.03172	0.4
153.01987	0.7
155.07129	0.8
157.44432	0.4
163.07668	69.8
164.08000	4.0
165.01923	0.9
167.07156	5.0
169.05080	18.7
170.05470	1.1
179.07167	0.8
181.05086	2.4
182.01903	0.4
183.06647	1.5
191.05640	2.0
193.05093	0.6
195.06657	3.4
196.03676	0.6
198.49942	0.4
201.09203	0.8
211.06122	32.9
212.06462	2.5
223.06116	2.0
226.55194	0.4
245.58876	0.4
250.88844	0.5
279.12433	1.0
307.10260	0.4
318.19354	0.4
321.17047	1.2
349.16574	16.4
350.16870	1.6
367.17609	56.6
368.17914	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	367.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03419	0.4
59.01375	2.2
59.45224	0.4
59.63679	0.4
61.98835	0.7
65.52864	0.4
68.99819	0.4
69.51371	3.9
71.01379	1.3
79.37265	0.4
82.76815	0.4
83.01411	0.5
85.02960	0.8
85.06621	0.4
87.04533	0.5
95.01421	0.6
95.05036	1.5
95.96777	0.4
97.02967	0.5
97.06561	0.5
99.00912	1.2
111.04531	11.3
111.08147	0.4
112.04836	0.5
113.06131	0.5
117.83438	0.4
121.02992	1.3
121.06691	0.5
122.03779	0.4
123.00904	0.8
125.02512	0.8
125.06116	0.4
140.70963	0.4
141.01999	2.6
141.05598	1.1
147.04529	1.4
148.05325	100.0
149.05653	5.3
151.04028	0.4
153.01996	0.5
155.07175	0.5
163.07672	66.2
164.08002	4.6
165.02043	0.5
167.07161	2.5
169.05084	8.8
170.05464	0.7
181.05072	1.1
191.05664	1.1
195.06680	1.5
201.09224	0.6
211.06128	12.0
212.06465	0.6
223.06215	0.9
237.07645	0.5
250.65048	0.3
279.12222	0.5
321.17245	0.8
349.16608	6.5
350.16687	1.0
367.17612	20.5
368.17831	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	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
69.84566	0.7
71.01398	0.3
85.02950	0.3
93.03477	0.5
98.19813	0.1
106.04263	29.1
107.04591	1.2
108.02189	0.4
121.02961	0.6
125.02457	0.3
138.03250	7.0
139.03610	0.3
146.07399	0.4
149.41621	0.1
150.03247	1.7
151.00395	0.2
159.08205	0.2
161.09743	53.2
162.10088	3.8
175.07710	0.2
182.02216	2.1
191.05637	1.0
205.08710	100.0
206.09047	7.5
243.02876	0.2
250.07451	0.2
259.07932	0.2
285.49692	0.1
368.51828	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	367.1551
Annotation	Kanzonol P
Peak:m/z	Relative Intensity
52.93902	0.5
59.01377	3.4
61.98832	3.3
63.17674	0.6
64.25624	0.5
65.00330	0.6
67.72366	0.5
71.01388	0.6
71.72083	0.5
73.90768	0.6
80.11019	0.5
83.01389	0.6
90.80874	0.5
91.09852	0.5
93.03461	3.4
96.96010	1.3
101.02467	0.7
109.02945	1.1
111.04515	0.8
112.45581	0.5
117.03489	3.3
119.05090	0.7
130.04266	5.4
131.05028	1.4
132.02203	0.6
132.05812	2.5
133.02971	1.5
135.04523	1.8
137.02437	1.4
145.02942	1.9
149.02386	0.6
149.06145	0.7
151.03990	0.8
158.03731	5.7
160.01695	1.8
160.13028	0.5
161.02458	29.3
162.02808	1.7
163.04027	0.9
164.04800	0.6
165.01920	1.3
172.05327	0.7
174.03259	2.0
175.04018	0.7
176.01184	0.9
185.02469	0.8
186.03168	0.9
187.00371	1.5
189.01936	1.8
191.05560	1.0
193.05208	0.6
201.01958	1.2
201.09207	1.2
202.02708	7.7
204.04269	1.8
206.02159	1.5
207.02332	0.5
211.08905	0.8
215.03557	2.4
217.01405	1.2
221.06036	1.3
225.09151	0.6
229.01428	3.1
229.04948	1.0
230.02180	12.7
231.02655	1.0
234.01697	11.1
235.02025	0.8
235.07726	0.7
238.06331	0.7
241.05020	2.0
243.02919	1.9
253.08679	2.4
255.06624	19.5
256.07028	1.8
257.00900	2.2
257.04248	0.6
269.08197	7.9
270.08936	12.3
271.09308	1.8
283.06116	7.8
284.06512	1.2
287.05530	2.8
297.07748	1.2
298.08447	19.8
299.08884	1.8
307.10413	0.8
323.12323	0.6
367.15515	100.0
368.15836	15.8
368.19354	0.4
369.87238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03432	0.7
59.01378	1.8
59.24737	0.2
60.99314	1.9
61.98830	0.4
67.01894	4.8
69.03454	1.0
71.01399	1.8
81.03446	1.3
83.05039	0.9
85.02954	4.0
86.33485	0.2
87.00885	7.4
89.03994	0.3
93.03469	26.4
94.03809	1.1
95.73186	0.3
99.00903	0.6
99.04510	1.1
102.33080	0.2
109.02979	0.6
111.04535	3.9
113.02451	0.4
115.04058	0.3
117.03484	1.3
119.05007	0.7
127.04030	1.0
127.55283	0.2
129.01959	0.9
134.03763	12.6
135.04095	0.5
143.03560	0.3
149.06131	0.8
155.03506	0.7
160.01694	0.5
163.04015	0.3
173.03078	0.5
173.04579	10.7
174.04918	0.4
175.03979	0.7
191.05626	100.0
192.05978	5.0
193.03355	0.3
193.05061	6.0
194.05457	0.3
251.18396	0.3
266.07724	0.3
356.38663	0.3
367.05649	0.3
367.10291	5.3
368.10693	0.6
391.17941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18558	0.2
53.01760	0.2
54.15706	0.2
57.03445	0.2
57.98206	0.2
59.01375	1.6
60.99300	0.2
61.98824	0.6
64.10620	0.2
64.74305	0.1
67.01888	0.5
69.03465	0.2
69.58602	1.5
71.01394	0.9
73.02967	0.3
81.03475	0.2
83.05024	0.4
85.02436	0.4
85.02956	7.4
87.00877	2.1
93.03462	5.3
97.66951	0.2
99.00858	0.2
99.04546	0.5
109.02970	0.7
111.04543	1.5
113.02421	0.2
117.03533	0.2
122.66486	0.2
127.04024	2.0
127.20853	0.2
134.03746	3.0
137.02446	0.3
155.03500	0.4
171.03027	0.7
173.04526	1.8
175.04065	0.4
191.05618	100.0
192.05960	4.2
193.05057	1.1
217.34737	0.2
325.44522	0.2
367.01395	0.2
367.10260	2.3
368.10892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1037
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01387	0.9
61.98820	0.3
71.01392	0.8
71.44913	0.5
71.45251	0.3
73.02962	0.4
76.13727	0.4
82.20509	0.2
83.05052	0.8
85.02969	0.8
87.00907	0.5
89.02460	0.3
89.03986	1.4
93.03469	3.0
96.27352	0.3
98.20681	0.3
99.79689	0.3
101.02457	0.5
106.04307	0.5
111.04541	2.5
117.03484	9.0
118.03842	0.5
127.04067	0.3
129.01970	0.3
134.03766	89.5
135.04097	5.1
137.02432	0.6
149.06122	6.7
155.03513	3.3
173.04576	4.8
191.05626	6.4
193.05083	100.0
194.05408	6.0
235.11935	0.5
367.10358	8.3
367.14941	0.4
368.10742	0.8
368.16150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17169	0.3
57.03458	0.4
59.01384	2.1
61.98833	100.0
64.38095	0.3
69.69485	0.3
70.11051	1.7
70.62988	0.3
71.01402	0.4
72.61449	0.3
72.99347	0.7
89.02482	0.4
96.96032	2.3
97.91039	0.3
99.00892	0.4
109.03013	0.6
112.98851	0.7
117.01918	0.4
125.02493	1.0
125.06100	0.7
137.02505	1.4
142.99846	0.6
146.03773	0.7
147.58647	0.4
153.05643	0.3
161.47278	0.3
163.00426	0.4
164.01180	0.6
165.01961	3.5
165.09280	0.3
167.07127	0.5
172.05377	0.5
173.00957	0.5
174.01704	1.7
185.06253	0.4
187.07750	0.4
191.05611	0.8
193.05177	0.6
199.07559	0.5
201.09251	3.1
205.08798	0.7
222.13013	0.3
229.08888	0.4
243.03004	0.4
257.04596	0.5
269.04507	1.6
271.08267	0.6
281.11749	0.4
287.05594	4.1
323.12854	0.5
367.12137	2.0
367.17075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	27.2
58.03764	1.0
59.01381	13.8
61.98833	1.4
71.01385	1.8
76.49258	1.2
85.02943	1.0
87.00873	1.4
88.24964	1.0
89.02454	1.9
93.03448	3.4
99.03889	2.0
99.04530	38.8
100.04858	1.5
101.02453	17.1
117.05624	1.4
121.02959	2.9
122.03748	1.5
127.04073	1.1
130.08745	1.5
137.02487	1.0
139.03999	1.8
145.05013	1.0
149.02492	6.6
150.05611	1.6
151.03992	2.2
161.04578	100.0
162.04887	5.2
173.04477	1.6
183.72659	0.9
185.74368	1.0
191.05614	5.5
193.01392	1.1
194.02036	1.2
207.23204	0.9
213.30386	1.0
251.77974	0.9
263.19336	1.1
307.10251	1.6
330.12036	1.3
331.12402	1.7
367.06769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.7
57.03450	28.2
59.01372	9.0
68.03069	1.4
69.66894	1.3
71.70735	3.2
93.03412	1.8
99.04532	41.2
100.04857	2.2
101.02448	14.6
108.02190	2.0
117.05565	2.5
123.04496	1.5
125.02454	5.1
134.13283	1.5
152.01192	2.4
161.04576	100.0
162.04933	3.2
167.03558	7.6
169.01480	9.3
173.04565	2.7
173.11320	1.5
191.05646	5.4
193.06207	2.8
329.08984	1.5
331.06638	3.4
367.12033	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	366.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62896	0.2
51.09241	0.2
52.50700	0.2
59.01371	1.3
61.98833	100.0
69.94183	1.3
71.01378	0.4
72.99336	0.5
89.02457	0.5
99.00894	0.2
112.98788	0.2
117.01981	0.9
125.02419	0.2
125.06101	0.3
130.27998	0.2
142.99889	1.1
153.05609	0.5
167.07230	0.3
171.97810	0.2
173.00974	0.5
174.01720	0.7
191.05508	0.3
193.05136	0.3
199.82965	0.2
211.06094	0.3
225.07765	0.7
243.08740	0.3
256.13287	0.2
261.89951	0.2
271.08359	0.3
274.55121	0.2
303.10968	0.3
331.53876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
51.59396	0.3
53.23142	0.3
57.03180	0.4
57.03446	4.8
59.01372	1.6
61.94191	0.3
61.98834	1.6
63.73314	0.3
66.99413	0.3
71.05012	0.3
83.04994	0.5
85.02957	37.0
85.06595	25.6
85.84187	0.3
86.03285	1.1
86.06916	0.6
87.00883	3.0
87.04523	3.1
95.05038	0.4
99.32133	0.3
101.33944	0.3
109.06621	0.4
110.67466	0.3
111.04508	2.1
111.08144	0.6
112.05344	1.4
112.83714	0.3
113.05343	0.6
113.06105	12.3
114.06461	0.4
120.99677	0.4
122.03733	0.3
127.07610	1.2
131.80452	0.3
137.06100	2.7
137.09721	1.3
139.04044	3.9
139.07605	0.7
149.09718	0.9
155.07158	33.4
156.07506	1.4
165.12842	1.0
189.12805	0.7
191.10782	0.4
207.13914	3.0
209.11841	1.9
225.14964	2.3
227.12895	1.8
229.54897	0.4
251.12770	1.4
277.14435	2.1
277.17847	0.6
279.12314	2.4
295.15454	1.3
295.19135	3.2
302.03851	0.4
347.18707	2.5
365.19681	100.0
366.20004	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01380	100.0
60.01710	1.5
61.98840	0.5
63.77440	0.2
69.78877	1.7
77.40491	0.2
96.96054	0.7
98.20604	0.4
111.04533	0.3
119.05024	0.2
120.99697	0.9
134.92393	0.2
155.99844	0.2
170.37674	0.2
203.02106	0.2
242.02286	0.6
257.04507	0.3
285.04050	1.9
365.00067	0.7
365.10263	0.3
365.15826	0.3
365.19943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.197
Annotation	Pachyclavulariaenone G
Peak:m/z	Relative Intensity
53.49186	0.1
55.01876	0.1
57.03456	1.8
59.01383	0.9
61.41846	0.1
68.99811	0.4
69.03478	0.2
69.37132	0.1
70.03456	0.6
71.01377	0.1
71.05017	0.3
71.41563	0.1
79.01916	0.4
83.01401	0.3
83.05060	0.2
85.02959	7.5
85.06075	0.2
85.06595	3.6
85.07089	0.2
85.70848	0.1
86.03254	0.1
86.06931	0.1
87.00892	0.5
87.04516	0.7
92.53169	0.1
93.03483	0.2
93.07092	0.1
94.45088	0.1
95.01383	0.2
96.96025	0.3
99.08162	0.8
101.06072	0.2
108.19348	0.1
109.02973	0.2
109.06621	0.3
110.00101	0.1
111.00853	0.2
111.04561	0.6
111.08175	0.1
113.06102	2.7
119.05086	0.2
120.99686	0.4
121.06607	0.2
123.00895	0.6
123.04528	0.2
123.08177	0.3
124.01664	0.6
125.06102	13.7
125.09738	0.3
126.06438	0.5
127.04027	0.3
127.07657	0.3
133.02937	0.1
135.08174	0.1
136.98912	0.1
137.02478	1.0
137.06071	0.5
137.09720	0.3
139.04016	0.4
139.07640	0.2
151.00380	1.1
151.04047	1.0
152.04807	0.5
153.05562	0.3
153.09224	0.3
155.07166	8.5
156.00644	0.1
156.07520	0.3
157.08759	0.2
163.07626	0.2
165.02020	0.2
165.05566	1.6
166.02693	0.2
166.06290	0.3
179.03522	2.4
179.07108	0.8
179.10777	0.2
180.07918	0.7
183.13878	0.1
184.03778	1.1
188.63777	0.1
193.05057	0.8
193.08644	0.1
194.05870	0.2
195.06691	0.2
198.05360	0.2
207.06633	0.7
207.13910	0.2
208.07411	4.7
209.08087	0.9
209.11742	0.2
211.13362	0.2
212.06914	3.3
213.07257	0.2
221.08197	0.3
222.08636	0.2
225.14990	0.2
231.10327	0.2
261.14935	0.2
263.12827	0.6
263.16470	0.1
277.14349	0.5
277.17529	0.1
279.12390	0.2
279.42328	0.1
281.13959	1.4
282.14154	0.1
289.14407	0.2
293.21130	0.3
303.16006	0.3
305.13919	2.2
306.14307	0.3
321.16946	0.4
321.20569	0.3
322.17554	0.1
347.14948	0.2
347.18637	1.4
365.19690	100.0
366.20035	13.8
383.48907	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98438	0.4
55.01886	1.2
57.03442	1.3
59.01382	73.4
60.01720	0.7
61.98837	0.6
71.01387	12.0
72.99312	1.0
73.02954	5.1
75.00876	3.3
75.88863	0.4
77.92156	0.4
83.01388	3.0
83.01816	0.4
85.02959	6.0
87.00909	0.6
87.26309	0.5
89.02465	2.5
95.01397	1.2
96.96016	1.0
97.02954	1.2
99.00903	1.5
101.02459	12.3
102.02774	0.6
109.02985	1.6
111.00898	0.6
113.02473	5.3
119.03558	0.9
119.05035	1.0
120.99693	3.0
123.04543	1.2
125.02442	2.2
135.04431	0.5
137.02498	1.1
139.03963	0.7
143.03517	0.5
143.10904	0.6
151.04062	0.7
156.73505	0.5
159.03069	1.0
159.04411	0.6
161.04587	3.6
165.02010	0.6
186.37434	0.5
187.03969	0.5
203.07135	1.2
203.12895	2.8
205.05042	0.9
245.08099	1.4
282.44568	0.5
289.07199	8.5
290.07431	1.3
305.16037	4.8
365.18182	100.0
366.18524	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92736	0.6
55.01891	0.9
57.03450	2.5
59.01382	100.0
60.01715	0.9
61.98837	5.6
62.92547	0.6
71.01390	24.6
71.05163	1.9
72.99322	3.7
73.02959	5.0
75.00880	10.9
75.01288	0.8
83.01398	3.6
85.02964	16.5
87.00889	5.3
89.02457	9.2
95.01386	4.0
96.96027	1.0
99.00900	8.1
101.02466	13.3
103.00413	1.5
113.02470	20.3
114.02859	0.7
115.00390	1.3
115.07670	70.5
116.08002	2.0
117.01975	2.5
119.03527	1.7
119.05047	1.1
120.99709	2.0
129.01971	1.6
131.03525	0.7
143.03474	0.9
149.04617	0.7
159.03008	1.3
161.04593	13.8
161.07228	0.6
162.04993	0.7
175.02521	1.9
179.05682	1.1
189.06879	1.0
205.07014	0.7
231.05161	1.4
249.06187	11.1
267.07047	1.5
283.11942	1.3
283.62213	0.6
305.12534	0.9
305.16049	15.3
306.16391	1.4
347.04196	1.1
347.13403	1.6
365.14557	53.2
366.14868	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	365.1608
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
53.24282	0.2
53.83464	0.2
55.01877	2.0
55.67629	0.2
56.70060	0.2
57.03439	0.3
59.01379	1.8
61.98826	0.9
68.99805	0.4
69.03456	0.3
71.01385	0.5
71.72109	0.4
80.02695	0.3
81.03468	1.4
81.21511	0.2
83.01394	68.7
84.01736	1.7
85.06609	1.3
87.04514	2.5
95.01407	0.2
95.05023	2.0
96.96037	1.0
97.06635	0.3
105.07127	0.3
106.00592	0.5
106.04273	1.5
108.02200	0.7
109.06614	0.9
111.04532	13.1
112.04857	0.5
113.06114	0.6
115.05568	0.4
119.05027	1.0
120.99663	0.6
121.06617	8.4
121.71065	0.2
122.06976	0.3
123.08155	0.6
125.02473	0.5
125.06131	0.3
129.03566	0.3
133.06604	0.5
135.04510	0.4
136.05284	0.3
136.64017	0.3
139.07664	0.5
149.06096	4.1
151.00331	0.3
151.07608	1.3
153.01968	0.3
155.07159	0.3
165.05573	1.0
167.03539	0.4
170.11082	0.3
173.09738	0.7
177.05583	9.8
178.05896	0.8
181.05061	1.8
185.09816	0.4
187.07671	0.3
191.10703	0.3
193.05069	0.4
194.05844	0.3
195.06679	3.3
196.03761	2.6
197.09810	0.3
199.60545	0.3
209.08174	1.1
241.15985	3.0
309.21054	0.3
321.17053	1.4
365.16043	100.0
366.16382	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	365.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01379	4.8
61.98834	3.1
67.05537	0.9
68.99801	1.3
69.03457	0.9
71.05018	0.8
71.72516	1.0
72.99285	0.9
78.01157	0.7
80.02671	0.9
81.03470	2.3
83.01400	2.8
83.05032	1.1
85.02958	1.8
85.06596	15.8
87.04493	3.7
95.01394	0.8
95.05054	3.6
96.96005	2.6
97.02967	2.8
97.06627	1.7
97.97038	0.8
107.01367	0.9
107.05012	1.5
108.02193	1.7
109.02984	1.7
109.06576	1.5
111.00866	1.6
111.04536	79.6
112.04860	2.5
113.06090	7.8
120.99657	1.8
121.03004	0.7
121.06581	2.6
122.03780	1.4
123.00913	1.2
123.04527	1.2
123.08147	6.0
124.01649	3.6
124.98775	0.8
125.02454	10.0
125.06139	1.5
127.07731	1.0
137.02507	0.9
137.09691	2.3
138.09998	0.8
139.00374	1.2
139.04030	7.1
141.05615	1.7
141.37544	0.9
142.80991	0.8
149.06129	1.6
151.00391	2.3
151.04010	3.1
151.07632	3.7
152.01103	2.5
155.07152	1.0
163.03989	1.2
165.05482	2.0
166.06319	1.6
167.03494	1.5
167.07164	3.9
177.05614	4.7
177.09241	1.0
179.07117	1.6
179.10768	1.9
180.04263	2.0
191.07074	1.5
193.08676	2.2
194.05835	5.9
195.06639	100.0
196.06989	6.1
197.11855	1.0
198.05327	3.1
205.08710	1.0
207.06502	1.0
209.08205	61.9
210.08461	4.1
221.08241	4.2
225.14888	2.4
231.17558	4.7
233.11984	0.8
234.08989	4.5
251.12790	2.3
259.17151	1.1
277.14459	1.1
293.17526	1.4
302.04037	1.5
303.15979	9.8
304.16348	1.2
321.17093	46.3
322.17465	4.4
327.21805	1.0
347.18558	6.0
348.19031	1.1
365.15894	24.3
365.19696	90.4
366.16165	2.9
366.20047	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1609
Annotation	Plagiochilin F
Peak:m/z	Relative Intensity
54.96674	0.5
57.03452	9.0
59.01384	6.4
61.32438	0.5
61.98826	1.2
69.03461	1.3
71.01391	2.0
71.05039	1.7
71.72397	0.8
74.36507	0.5
81.03493	0.7
83.01398	14.0
83.05038	4.4
85.02963	27.2
85.06612	1.3
87.00894	0.9
87.04531	0.9
93.03510	0.8
95.01411	1.1
95.05051	1.1
96.96032	1.6
97.02980	0.8
99.04535	1.3
99.08165	2.0
101.06100	1.3
107.05088	0.6
109.02966	2.4
109.06646	0.8
111.00888	2.4
111.04536	4.8
119.05049	0.7
120.99657	1.7
121.03018	0.6
123.00913	1.1
123.04581	1.4
123.08185	1.0
125.06128	1.8
127.04037	15.4
133.03033	0.7
135.04565	2.7
135.08142	0.6
136.05338	1.0
137.02481	2.8
137.09846	0.6
138.03233	3.3
139.04039	0.6
147.08206	0.9
149.06062	0.7
149.09700	0.7
151.04060	0.6
153.01961	2.3
153.05591	1.1
155.07198	1.0
161.09659	0.7
163.04080	1.9
163.11287	1.4
164.04819	0.6
165.01970	3.4
165.05605	0.6
166.02748	7.1
167.03474	1.6
170.02231	2.4
173.09714	1.5
177.05661	0.7
178.06406	1.4
179.03537	2.4
179.07098	1.0
180.04344	0.9
189.12875	0.9
191.10863	1.4
193.08713	2.1
193.12265	0.9
195.10207	0.7
201.12961	0.9
205.15959	1.0
209.08183	2.5
209.11723	0.6
215.10754	1.7
219.13802	0.7
227.10782	1.2
232.10999	0.7
233.15138	0.7
237.14883	1.1
240.43358	0.5
243.13931	1.5
247.50864	0.6
253.10785	4.2
253.14537	0.6
261.14932	3.8
263.12897	3.1
273.80841	0.6
277.14426	1.7
285.14920	2.6
287.12930	1.3
289.10791	1.4
293.21191	5.2
294.21414	0.6
303.12704	0.6
303.16013	13.4
304.16476	1.8
305.13962	100.0
306.14319	11.4
321.17288	0.7
322.14188	0.9
347.15030	13.0
347.18658	0.6
348.15686	7.4
365.15939	6.8
365.19745	17.3
366.16043	1.2
366.20093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03437	3.5
58.00595	1.1
59.01383	80.9
60.01671	1.1
61.98842	4.7
68.99831	1.5
69.03465	1.1
69.61745	6.7
71.01392	22.8
72.98975	0.7
72.99315	4.5
73.02967	4.0
75.00883	17.3
80.19175	0.8
83.01392	2.2
85.02966	18.7
87.00881	8.5
89.02459	9.6
93.48154	0.7
95.01399	5.3
99.00896	9.7
101.02465	8.8
102.75360	0.8
103.00387	2.3
111.00895	0.9
113.02470	25.2
115.00381	1.4
115.07668	100.0
116.08011	4.0
117.01926	2.6
119.03497	1.4
120.99653	2.1
125.02417	1.0
129.01999	1.7
131.03465	0.8
143.03506	1.3
151.00433	1.0
159.02998	1.4
160.06383	0.9
161.04564	9.0
161.07239	2.9
165.01923	1.0
166.05659	0.8
175.02495	2.7
175.08757	2.5
179.05598	0.8
189.06747	3.7
202.02797	1.2
203.08250	1.1
229.09821	1.2
230.01021	0.9
231.05118	1.4
249.06163	15.8
267.07260	2.3
277.11963	1.0
282.03171	0.8
283.06079	0.8
305.11514	5.8
305.16046	11.1
306.16211	1.7
347.04199	0.9
347.13412	2.3
349.57834	0.9
365.14557	85.4
366.14941	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	365.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01379	4.8
61.98834	3.1
67.05537	0.9
68.99801	1.3
69.03457	0.9
71.05018	0.8
71.72516	1.0
72.99285	0.9
78.01157	0.7
80.02671	0.9
81.03470	2.3
83.01400	2.8
83.05032	1.1
85.02958	1.8
85.06596	15.8
87.04493	3.7
95.01394	0.8
95.05054	3.6
96.96005	2.6
97.02967	2.8
97.06627	1.7
97.97038	0.8
107.01367	0.9
107.05012	1.5
108.02193	1.7
109.02984	1.7
109.06576	1.5
111.00866	1.6
111.04536	79.6
112.04860	2.5
113.06090	7.8
120.99657	1.8
121.03004	0.7
121.06581	2.6
122.03780	1.4
123.00913	1.2
123.04527	1.2
123.08147	6.0
124.01649	3.6
124.98775	0.8
125.02454	10.0
125.06139	1.5
127.07731	1.0
137.02507	0.9
137.09691	2.3
138.09998	0.8
139.00374	1.2
139.04030	7.1
141.05615	1.7
141.37544	0.9
142.80991	0.8
149.06129	1.6
151.00391	2.3
151.04010	3.1
151.07632	3.7
152.01103	2.5
155.07152	1.0
163.03989	1.2
165.05482	2.0
166.06319	1.6
167.03494	1.5
167.07164	3.9
177.05614	4.7
177.09241	1.0
179.07117	1.6
179.10768	1.9
180.04263	2.0
191.07074	1.5
193.08676	2.2
194.05835	5.9
195.06639	100.0
196.06989	6.1
197.11855	1.0
198.05327	3.1
205.08710	1.0
207.06502	1.0
209.08205	61.9
210.08461	4.1
221.08241	4.2
225.14888	2.4
231.17558	4.7
233.11984	0.8
234.08989	4.5
251.12790	2.3
259.17151	1.1
277.14459	1.1
293.17526	1.4
302.04037	1.5
303.15979	9.8
304.16348	1.2
321.17093	46.3
322.17465	4.4
327.21805	1.0
347.18558	6.0
348.19031	1.1
365.15894	24.3
365.19696	90.4
366.16165	2.9
366.20047	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0879
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
50.57619	0.3
52.08881	0.3
57.03445	0.4
58.47464	0.3
59.01377	2.8
67.16682	0.3
71.01380	0.4
71.71154	0.4
71.71539	0.3
73.02940	0.8
73.81508	0.3
75.00854	0.3
85.02975	0.5
85.15662	0.3
87.00842	0.3
96.96013	2.0
97.02960	0.3
111.04487	0.5
111.08149	0.3
113.06138	0.3
119.05085	0.3
120.99674	0.7
145.02971	1.1
155.07162	0.9
155.29440	0.4
158.03746	14.9
159.04555	6.7
171.04572	1.6
173.02527	0.5
173.04541	0.3
173.06029	0.4
175.03966	0.9
184.05252	0.4
185.06088	0.5
185.45276	0.3
188.35884	0.3
201.01935	0.6
201.05545	2.9
202.02727	100.0
203.03201	8.7
213.05589	2.4
215.03569	0.4
227.03372	0.6
231.06668	1.2
243.06653	0.4
245.04552	1.3
246.13724	0.3
257.04608	0.4
275.05621	2.1
285.04062	0.6
347.18707	0.5
364.99506	1.1
365.08798	51.6
365.16153	1.3
365.19580	5.0
366.09064	6.3
366.19952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71247	0.5
52.19955	0.5
53.16175	0.4
55.01885	0.7
57.03446	2.3
58.00613	0.6
59.01381	12.5
61.84662	0.6
61.98838	5.6
67.01909	1.0
68.99834	0.9
69.03455	0.8
71.01388	12.4
72.99310	4.0
73.02932	0.7
75.00449	0.8
75.00876	14.4
77.80422	0.4
83.17136	0.5
85.02956	15.2
87.00884	6.0
89.02444	3.3
95.01393	4.7
96.96044	0.6
99.00896	8.1
103.00388	1.5
111.00936	1.0
113.02466	20.8
115.00364	1.9
115.07664	100.0
116.07999	3.9
117.01936	2.0
119.05029	0.6
120.99673	1.8
125.02535	1.0
129.01949	2.2
139.46143	0.4
157.01425	0.6
174.02817	0.5
175.02489	2.5
184.69786	0.5
196.24034	0.5
205.07129	0.5
228.52791	0.5
231.05106	1.9
249.06148	16.2
250.06581	0.9
267.07202	1.9
285.04010	1.6
303.05148	1.1
305.12424	1.2
347.13660	2.6
365.14529	79.1
366.14810	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	364.9638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96045	0.3
59.01377	3.7
61.98831	100.0
62.98536	0.4
63.99250	0.5
69.52730	2.2
78.87128	0.3
78.91946	0.3
80.91687	0.5
81.80145	0.2
104.45980	0.3
118.49102	0.3
135.95667	1.0
142.63295	0.3
143.52147	0.3
149.80495	0.3
164.94698	0.5
165.88618	0.3
178.98495	0.8
180.94164	8.4
185.77837	0.3
190.82076	0.3
194.35643	0.3
203.02472	0.7
203.99991	0.4
205.00208	0.3
206.97466	4.7
207.97565	0.4
219.97760	1.9
220.98242	0.4
220.99710	2.9
221.98141	0.7
222.00101	0.3
222.95212	75.1
223.95364	0.7
223.97108	1.2
287.71957	0.3
322.95386	0.3
343.09311	0.3
358.02548	0.3
364.96603	1.1
385.87100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22387	0.2
52.03653	0.3
59.01379	3.9
71.01395	1.3
71.28629	0.5
71.28952	0.4
73.02926	0.3
79.95751	0.8
85.02959	0.6
89.02457	1.3
95.05074	0.3
96.96023	48.4
101.02437	0.7
105.03477	0.9
113.02502	0.3
119.05045	38.5
120.05392	1.8
120.99673	100.0
122.00031	1.6
130.70956	0.3
133.02968	5.8
135.04530	0.7
143.07176	0.8
149.02472	0.4
158.12755	0.3
161.04578	0.5
163.04031	6.6
164.04355	0.3
177.01947	3.0
179.05597	0.3
191.05518	0.4
200.95294	0.4
203.09216	0.4
222.55125	0.3
281.12268	0.3
285.04395	7.2
286.04688	0.5
358.54788	0.3
365.00061	35.1
365.18326	0.7
366.00378	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	365.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
59.01383	12.8
61.98824	2.0
67.01874	1.5
69.13275	1.0
71.01389	21.4
71.03863	2.7
71.04210	1.9
72.99315	1.5
73.02956	4.1
78.95906	3.2
83.01402	4.0
83.54054	1.1
84.00956	1.2
85.02965	11.8
87.00892	7.2
89.02468	3.2
93.03480	4.7
96.96030	3.6
96.96984	6.2
99.00893	12.8
101.02452	4.2
107.46916	1.2
111.00892	7.8
111.04581	1.9
112.98826	31.7
113.02505	2.0
115.00363	1.8
116.01788	1.9
119.05089	1.5
120.99673	5.1
122.06144	3.4
124.98830	4.0
127.03977	2.3
129.01942	7.3
136.07700	2.8
142.99876	25.9
143.03554	1.5
145.01476	1.5
150.05630	14.6
152.07123	1.7
159.02995	2.0
167.03516	2.0
173.00951	32.9
173.04555	4.3
176.07233	1.1
186.07736	1.2
191.05627	100.0
192.05981	4.1
231.70944	1.2
265.16010	1.1
312.10870	5.6
330.11957	17.7
365.00040	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	365.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
57.03442	6.5
59.01385	5.9
59.44209	1.7
59.65913	1.6
69.67754	12.4
69.68156	2.9
71.01391	25.6
72.99321	1.6
73.02950	6.6
83.01401	5.0
85.02959	12.5
87.00915	4.7
89.81579	1.6
93.03475	8.3
96.96051	5.8
99.00902	25.7
101.61655	1.9
106.03547	1.8
111.00899	18.0
111.04530	5.5
111.05350	1.4
112.98839	73.8
119.05047	1.9
120.99660	10.2
124.98818	2.5
127.04104	1.8
129.01964	8.4
137.02480	3.3
142.99898	39.4
145.01433	2.2
173.00941	45.4
173.04510	12.8
187.63956	2.0
191.05638	100.0
192.05984	4.5
199.39661	1.9
364.99942	5.2
379.20673	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87196	0.6
61.98833	93.5
63.02395	3.0
65.00327	6.7
83.01400	3.7
93.03499	1.6
98.20561	1.6
107.01402	10.2
109.02972	0.8
121.02971	10.5
124.01778	0.9
139.04062	0.9
146.63989	0.6
149.02496	2.0
151.00394	38.9
152.00739	0.9
152.05801	0.6
163.00375	0.8
163.04109	0.8
165.43979	0.6
169.00203	0.6
169.01399	2.7
172.62320	0.5
178.01855	0.6
178.99887	17.2
180.00230	0.8
227.03534	0.7
245.04532	1.1
257.04486	0.7
273.04254	1.3
301.03546	100.0
302.03937	8.4
363.18167	1.3
365.19870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18243	0.2
59.01373	1.8
61.98833	100.0
71.01402	0.5
89.02447	0.6
96.96021	0.4
119.05080	1.1
120.99703	1.0
123.38300	0.2
133.03003	0.3
141.09285	0.8
143.07147	0.3
157.08717	0.6
158.06108	0.5
161.04500	0.3
163.04048	0.9
164.04439	0.6
167.03481	1.5
203.09256	2.9
238.38246	0.3
364.17093	1.0
365.00473	0.3
365.14410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32286	0.3
57.03451	1.1
57.32869	0.3
59.01382	2.0
61.98833	100.0
65.00330	0.4
65.16212	0.3
69.62663	0.8
69.63085	2.1
71.05064	0.4
76.49672	0.3
83.05011	0.4
85.02966	4.2
85.06604	4.2
87.00904	0.5
87.04536	1.0
94.17303	0.3
96.96035	0.8
101.06069	0.4
107.01414	0.9
109.02958	0.4
109.82930	0.3
111.04543	0.8
113.06118	1.3
119.50542	0.3
120.99688	0.8
121.02975	1.0
125.02481	0.8
125.06213	0.3
137.02557	0.4
139.00427	0.4
139.04042	1.0
143.10794	0.4
149.02472	0.5
151.00380	2.7
152.35844	0.4
155.07164	2.6
158.58557	0.3
178.99951	0.7
183.13983	0.6
225.14946	0.4
262.11685	0.6
273.04224	0.3
276.13220	0.6
277.14407	0.7
278.11459	0.4
279.12332	0.7
295.16016	0.5
295.19254	1.8
301.03555	6.0
301.16586	0.5
302.03860	0.7
347.18756	1.0
364.18594	3.7
364.22415	0.5
365.19711	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98830	100.0
62.27800	0.3
68.72259	0.3
69.78461	2.2
85.06586	0.8
88.93671	0.3
96.96058	0.7
98.20621	0.4
101.36410	0.3
107.01401	0.5
111.04535	1.8
119.05095	0.4
120.99681	0.7
121.02956	0.7
125.02477	0.6
129.17212	0.4
151.00383	1.9
178.99884	0.5
183.13947	0.8
184.07109	0.4
195.06657	3.0
199.25237	0.4
199.66580	0.4
232.30434	0.4
254.45625	0.4
279.15030	0.6
294.14478	0.5
301.03506	2.9
301.16983	0.5
321.16928	1.7
364.18411	2.5
364.22119	0.3
365.16043	1.4
365.19873	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	364.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09286	0.3
59.01382	0.7
61.98836	15.8
70.26233	1.2
70.26650	0.8
72.29976	0.3
72.35840	0.4
73.25845	0.4
77.03973	0.7
83.01398	0.4
92.39787	0.4
93.03465	1.2
95.01427	0.4
97.02963	2.5
108.64518	0.4
120.99646	0.7
121.02973	3.7
131.73778	0.3
137.02467	15.8
138.02762	0.5
165.01953	100.0
166.02274	4.9
201.19151	0.4
203.64200	0.4
216.78685	0.5
217.03366	0.4
263.12805	0.6
275.93500	0.4
285.04233	0.4
291.12317	0.5
296.97891	0.4
301.03546	31.3
302.03848	3.0
323.01807	0.4
363.18213	0.9
364.18686	0.9
365.15823	0.8
365.19827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2175
Annotation	Isolineolon
Peak:m/z	Relative Intensity
57.03448	9.9
59.01384	3.2
60.72056	0.3
61.98837	0.4
64.40390	0.4
68.99825	0.4
69.03475	0.8
71.01391	1.1
71.05031	9.5
71.72224	0.3
73.02945	0.4
76.61205	0.3
81.03471	1.1
83.05047	0.6
85.02963	57.0
85.06600	1.4
86.03291	1.0
87.00874	0.8
87.04523	0.8
90.17278	0.3
93.03477	0.4
95.01400	0.5
95.05021	0.4
97.02967	0.4
97.06634	0.5
98.03761	0.4
99.08176	24.6
100.08493	0.6
101.06103	6.0
109.02972	0.9
109.06620	2.3
111.04548	3.0
113.09742	0.6
121.03014	0.5
122.03782	1.0
123.00872	0.5
123.04561	1.1
123.08208	1.6
124.01660	0.4
125.06101	4.0
125.09725	1.1
127.07679	13.3
128.07999	0.5
133.06662	0.4
135.04512	0.7
136.05333	1.6
137.02486	1.8
137.06100	0.5
138.03226	0.4
139.04002	0.6
139.11311	0.5
141.09245	2.6
149.02495	0.9
149.09773	0.8
151.04076	0.4
151.07654	2.5
151.11307	1.2
153.05569	2.3
153.09239	0.6
155.10747	0.5
163.04010	0.4
163.41631	0.3
165.09242	0.4
167.03572	0.4
169.08734	35.1
170.09084	1.9
177.05647	0.9
179.10846	0.6
181.05127	1.2
182.78842	0.4
189.12897	0.6
191.14484	0.4
193.12378	1.2
195.06624	0.5
195.10219	0.4
205.08717	5.0
206.09496	2.6
207.06598	0.9
207.10266	1.1
208.07358	0.5
209.15524	1.3
217.12433	1.6
219.10339	1.4
219.13892	0.4
220.11067	5.9
221.08199	3.0
221.11475	0.7
231.17613	0.7
233.11784	0.4
237.14902	1.8
243.13870	0.6
249.14781	0.5
261.14948	7.5
262.15506	0.7
263.09280	0.6
263.12863	2.6
265.14426	0.4
275.12930	4.5
277.14575	0.4
277.18170	0.4
279.15854	0.8
289.10809	5.1
293.13953	53.8
293.21085	1.3
294.14340	2.2
301.18185	0.4
301.21753	0.4
306.14630	0.4
307.11862	1.5
307.19104	0.5
309.13498	0.9
319.19092	0.5
327.19699	1.1
330.17984	0.4
345.20740	48.1
346.21057	6.7
347.18649	3.3
363.18124	9.4
363.21841	100.0
364.18533	1.8
364.22293	13.5
369.49902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2177
Annotation	Isolineolon
Peak:m/z	Relative Intensity
57.03450	7.6
57.67584	0.2
59.01378	2.0
66.97841	0.2
68.99820	0.4
69.03458	1.0
70.29327	0.8
71.01385	1.4
71.05027	10.1
72.05385	0.2
83.05028	0.6
85.02961	55.4
85.06608	0.5
86.03281	1.2
87.00891	1.0
93.03494	0.2
94.49794	0.2
95.01400	0.6
95.05023	0.3
96.96027	0.2
97.06587	0.5
98.03751	0.5
99.08174	23.8
100.08480	0.9
101.06098	4.9
102.06434	0.2
108.02190	0.3
109.02955	0.6
109.06618	0.5
111.00877	0.2
111.04546	1.5
113.09769	0.9
121.02964	0.5
121.06610	0.2
122.03761	0.8
123.00913	0.4
123.04543	0.8
123.08144	1.0
125.02466	0.4
125.06100	3.8
125.09753	1.5
126.06513	0.2
127.07674	8.3
128.08051	0.2
135.00807	0.2
135.04559	0.9
135.08275	0.2
136.05345	1.6
137.02448	0.2
137.09709	0.4
139.04065	0.5
139.07625	0.2
139.11304	0.5
141.09229	2.8
149.02483	1.0
149.09763	0.6
151.04129	0.4
151.07663	2.7
151.11314	0.9
153.05603	1.4
153.09221	0.5
155.07196	0.2
155.10800	0.8
159.08092	0.2
161.09807	0.2
167.03542	0.5
169.08725	36.3
170.09082	2.2
177.05652	1.0
179.07101	0.5
179.10829	0.4
181.05112	0.6
189.12927	0.6
191.07182	0.9
191.10806	0.4
191.14395	0.3
192.07910	0.5
193.08636	0.3
193.12354	1.3
195.06705	0.4
195.10274	0.6
197.08269	0.2
203.10767	0.2
205.08720	5.6
206.09485	3.1
207.06628	0.4
207.10234	1.3
208.07379	0.4
209.08105	0.2
209.15527	1.0
210.88638	0.2
211.13374	0.5
217.12367	0.7
219.10219	1.3
219.13817	0.3
220.11043	5.7
221.08218	1.7
221.11519	0.4
223.09807	0.2
231.17545	0.6
235.13315	0.4
235.15382	0.4
236.00768	0.2
237.14964	1.6
243.13841	0.5
257.15421	0.2
261.14954	7.6
262.15280	0.9
263.12878	2.7
264.13257	0.3
275.12811	0.3
275.16663	0.2
279.16153	1.0
289.10861	4.4
293.13965	5.3
293.21167	1.3
294.14368	0.4
301.21664	0.4
306.14798	0.4
307.11914	0.9
307.19147	0.4
319.15353	0.2
327.19705	0.8
328.19827	0.2
331.19101	0.8
335.15045	0.4
345.20734	48.4
346.21082	6.8
347.18671	2.8
363.21793	100.0
364.22275	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	363.1814
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
55.40506	0.3
57.03448	2.0
57.68785	0.3
59.01383	2.5
59.73745	0.3
69.03449	0.8
70.13338	0.8
70.13729	0.8
71.01382	1.2
71.05023	1.7
73.02947	1.4
75.50173	0.4
81.03472	2.1
83.05023	0.7
85.02961	5.8
95.01390	1.0
95.05041	1.0
96.02202	0.6
97.02961	5.0
97.06599	2.2
98.20509	0.4
99.04533	1.4
107.05038	0.9
107.44485	0.3
109.01217	0.3
109.02987	1.7
109.06603	0.8
110.03774	0.6
111.04519	0.7
113.02454	2.6
121.06555	0.4
122.03745	0.6
123.04507	1.0
125.02479	0.6
125.06103	6.1
127.04047	0.5
141.05606	2.4
151.04044	2.1
151.07666	0.7
153.05548	0.4
163.04001	1.0
164.04790	1.4
165.05614	0.4
167.03560	2.0
169.05080	31.5
170.05403	1.6
176.08446	1.0
177.01933	0.5
177.05536	2.3
178.06367	2.4
179.07027	0.6
181.05014	0.8
189.12898	0.5
191.03558	1.0
193.12352	1.7
203.03253	0.4
205.05104	2.8
206.05760	1.1
207.06514	0.4
210.05319	0.7
220.07396	7.7
221.07799	0.6
244.03404	0.4
247.13358	1.8
261.14655	0.4
265.14349	5.0
266.14929	0.8
289.14563	0.5
301.17944	1.3
303.15964	3.5
304.16492	0.8
307.15237	0.4
317.17584	2.5
319.15665	0.6
319.19147	1.2
320.15775	0.4
321.17059	1.1
345.17075	15.0
346.17407	1.9
348.15918	0.5
363.18121	100.0
364.18500	13.9
364.22025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.8
57.03455	1.8
58.00578	4.7
59.01380	100.0
60.01719	1.4
61.98833	34.1
63.02401	1.2
65.00336	2.3
69.60870	6.7
69.72910	1.0
71.01386	53.4
72.99310	4.8
73.02956	1.7
83.01398	4.4
85.02959	12.1
85.71243	0.8
87.00891	1.9
89.02456	52.8
90.02792	1.2
93.03465	1.0
95.01382	5.0
97.38219	0.9
98.19810	1.6
99.08197	1.4
101.02459	36.7
107.01412	4.6
109.02991	1.3
113.02470	19.6
114.31368	0.8
119.03513	27.2
120.57256	0.9
121.02964	3.7
121.45949	0.9
122.03780	2.9
123.00916	1.7
125.02431	1.0
131.03491	1.3
136.01703	4.7
137.02441	3.1
143.03514	2.4
149.02466	6.3
149.04567	2.1
150.03256	14.6
151.00389	16.6
155.14415	1.1
161.04565	1.6
164.01224	0.9
169.01340	0.9
178.99876	7.2
179.05603	3.8
183.13931	22.8
184.14229	1.5
193.12215	0.9
201.14899	4.2
238.08513	1.9
249.05673	1.0
257.11801	2.3
275.09967	1.7
275.12857	15.5
276.13278	1.2
301.03546	41.5
345.16794	1.9
363.18561	69.6
363.20065	78.2
364.20374	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61303	0.4
55.01872	0.7
55.94710	0.4
57.03443	1.9
58.00585	0.5
59.01380	30.7
69.03454	0.8
71.01385	16.6
71.47852	1.1
72.99313	11.1
73.02952	4.1
75.00864	1.1
83.01389	1.9
83.05032	0.6
85.02963	4.0
85.06609	0.7
87.00877	0.8
89.02447	13.7
95.01414	1.3
99.00935	0.6
101.02460	11.1
107.08685	1.7
113.02468	5.9
113.06026	0.6
119.03522	5.9
121.10236	1.2
125.02481	0.7
136.07683	0.6
138.05618	1.7
139.11310	1.6
155.10764	0.8
161.04617	0.6
179.05670	0.6
183.10283	29.9
184.10596	1.3
201.11340	13.6
201.13194	0.9
202.11736	0.9
226.79498	0.5
227.08238	0.7
233.08139	0.5
242.10640	0.9
257.12906	3.2
257.30899	0.5
267.07138	0.9
309.92950	0.6
345.11502	0.5
345.15518	1.1
363.16599	100.0
364.16974	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01724	1.1
61.98831	0.3
67.73103	0.2
71.01408	0.3
71.72386	0.2
72.99296	0.3
75.00886	0.3
79.04426	0.2
88.98829	0.2
97.08018	0.2
98.62486	0.2
101.02468	0.4
151.00526	0.2
179.03577	0.3
224.89659	0.2
239.12991	0.3
283.11975	0.3
293.13971	0.2
363.07278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03456	3.7
58.00593	1.1
59.01382	93.0
60.01720	1.1
61.98844	2.9
63.28322	0.5
70.56805	0.4
71.01390	19.8
72.99310	2.7
73.02952	4.5
82.53665	0.5
83.01408	1.9
85.02956	5.7
87.00883	1.4
89.02457	18.3
95.01414	1.4
96.96062	0.5
99.00899	0.8
101.02455	14.9
102.57079	0.5
113.02471	6.9
119.03534	8.0
121.10272	1.5
123.08187	0.6
137.16335	0.5
141.09259	1.2
143.03529	0.6
145.02969	1.8
149.04643	0.5
161.04576	2.9
171.10326	1.0
171.44591	0.5
179.05624	1.6
183.10284	6.7
183.87061	0.5
199.65018	0.5
201.11353	18.4
202.11668	1.2
267.07077	0.7
291.08545	0.7
303.14435	0.7
337.53391	0.5
345.15793	0.5
363.16617	100.0
364.17007	9.9
382.77338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	10.1
58.04239	2.6
59.01376	27.2
61.98833	83.9
62.08887	2.8
63.02386	3.6
65.00298	4.2
68.52338	3.0
69.03419	3.5
69.41156	33.1
71.01360	9.5
80.82468	2.6
83.01381	8.3
85.02930	8.9
89.02431	5.5
89.95223	2.9
90.49862	2.6
91.83445	3.3
96.95972	3.6
101.02451	4.6
101.06085	9.0
102.09362	2.8
107.01380	6.7
109.02931	3.9
111.00881	2.8
113.02406	3.7
119.03470	3.8
121.02932	5.9
125.02435	9.9
137.02419	3.9
137.06099	4.5
139.00404	7.3
149.02396	5.2
149.09650	6.0
150.03200	8.1
150.99324	3.6
151.00401	35.7
153.09161	4.5
165.07947	3.4
165.09201	30.2
178.99796	13.2
193.12332	3.6
201.05539	4.4
207.13651	3.0
251.12726	13.1
254.47945	3.0
261.11020	4.4
273.04105	4.7
275.04669	6.7
275.12982	28.2
277.10657	9.2
301.03574	85.3
336.60553	3.3
345.16809	5.1
359.17947	3.1
363.09720	7.8
363.17972	100.0
363.21933	8.5
364.18213	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	363.1298
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01876	2.2
57.03449	5.0
59.01380	32.4
62.34629	2.9
68.99809	3.3
71.01389	39.3
72.99310	9.0
73.02964	4.1
75.00887	30.6
76.89610	2.5
83.01406	3.1
85.02967	37.4
87.00896	12.2
89.02460	11.4
95.01401	9.4
99.00887	19.3
103.00394	7.1
113.02459	44.7
113.06099	50.5
115.00372	3.3
117.02022	4.3
124.04109	2.3
140.46191	2.3
152.20355	2.2
152.21925	2.7
175.02522	3.5
196.99168	2.4
205.07236	3.4
205.31128	2.6
211.13373	2.5
211.39221	2.3
220.50935	2.3
231.05093	4.1
249.06194	37.4
267.07239	66.1
268.07492	3.2
287.10461	7.4
331.09439	2.5
353.88702	2.6
363.12955	100.0
363.16699	6.5
364.13226	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	362.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42073	0.4
56.62457	0.4
59.01374	2.8
61.98832	100.0
67.01881	0.4
70.30742	1.7
71.01388	0.9
73.12356	0.3
75.00883	0.4
78.95897	0.9
85.02966	0.4
89.02440	0.6
93.03503	0.4
96.96998	1.0
101.02437	0.5
107.09301	0.3
109.02972	0.4
111.00913	0.5
112.01550	0.5
113.02474	0.6
119.05052	0.4
123.00925	0.6
125.71701	0.4
137.02440	0.6
138.03180	0.4
138.05626	0.5
139.00464	0.4
182.99336	0.4
191.05655	0.8
201.07722	0.5
204.07205	0.3
210.02136	0.3
229.81741	0.3
352.84729	0.4
363.16840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
57.17517	0.6
59.01377	4.5
61.98833	9.4
63.02393	6.4
65.00326	11.9
69.88731	2.1
69.89154	1.6
71.01392	1.0
72.99308	0.6
75.98458	0.5
83.01392	7.6
83.47624	0.6
85.02955	0.9
91.01920	1.0
93.03482	0.6
95.01378	0.8
107.01407	21.8
109.02956	3.8
111.00881	1.6
117.03477	0.9
119.01385	2.5
121.02954	2.2
123.00872	1.0
123.04556	1.6
124.01647	2.3
125.02430	2.3
125.06099	1.4
133.02971	2.0
135.00929	0.9
136.01678	11.1
137.02348	0.5
139.00418	0.7
142.39691	0.6
143.05000	1.9
145.00969	0.6
145.03091	0.7
147.00906	7.2
148.01738	3.4
149.02452	0.8
151.00392	72.4
151.03992	1.6
152.01173	6.3
157.02971	1.0
159.04431	1.0
161.02409	0.7
163.00352	2.3
163.04060	0.7
164.01141	0.7
165.01915	1.1
167.03493	3.1
169.01442	4.4
171.04541	3.4
173.02475	0.7
175.04001	2.3
178.99878	47.5
179.03384	4.3
180.00258	1.7
183.04521	2.1
185.02432	1.0
187.00371	1.9
187.03969	1.9
189.01877	1.1
193.01346	0.8
195.02977	2.0
197.02570	0.7
198.03209	0.8
199.04021	10.3
200.04524	0.7
201.01953	4.6
203.03622	1.3
206.99197	0.8
207.02974	1.2
209.00972	0.6
211.04041	2.0
212.04810	1.0
213.01921	1.3
215.03505	2.7
219.02898	0.8
222.01682	0.6
226.02718	1.4
227.03485	9.1
228.03920	1.7
229.01451	1.0
231.02930	3.0
243.02992	12.1
243.65094	0.7
244.03328	1.5
245.04419	0.6
255.02951	7.0
256.03711	2.6
257.04611	1.3
271.02460	100.0
272.03006	16.5
273.03729	2.1
287.05609	2.6
299.01981	64.5
300.02725	76.0
301.03403	21.3
302.03894	1.2
303.04935	1.0
317.03363	0.6
331.04593	85.6
332.04980	9.5
345.16840	0.7
363.17834	6.0
364.18146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.2
60.01722	1.0
61.01811	0.2
61.98833	100.0
69.50768	1.6
69.65523	0.2
141.57588	0.2
159.97363	0.3
174.99249	0.9
175.99614	0.5
177.96774	0.5
178.98425	0.9
201.02576	1.0
202.02870	0.2
203.02443	0.5
203.98148	0.3
204.00018	4.4
204.02800	0.6
205.00085	0.4
206.97562	0.2
217.00296	2.5
218.00626	3.2
219.00659	0.8
219.97763	52.4
220.97964	0.7
220.99768	2.8
239.35426	0.2
319.00427	0.3
319.97516	0.2
361.20334	0.5
361.98575	1.3
362.99396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21486	0.3
52.50950	0.4
55.01876	0.4
56.04519	0.3
57.03434	1.6
59.01360	1.2
70.30212	1.7
71.05001	0.5
71.61286	0.3
73.07844	0.4
79.01880	0.4
85.06600	4.4
87.04526	0.4
91.36602	0.4
95.05007	0.6
97.02979	0.4
98.20570	0.4
99.08185	0.5
101.06122	0.8
109.02974	0.4
111.04533	4.4
121.06614	0.9
123.04507	1.0
123.08176	5.4
125.02411	0.6
125.06110	2.5
125.09718	2.6
135.08159	0.4
137.02480	0.8
137.06075	0.5
138.03197	0.9
139.04013	0.5
141.09273	0.6
149.06021	0.8
149.09715	1.0
151.03995	1.7
151.07622	0.9
152.04645	0.4
153.01889	0.8
154.02716	0.4
163.04080	0.4
163.11246	0.7
165.05602	1.7
165.09198	1.0
166.02751	0.5
167.07076	0.5
180.00659	0.6
180.04147	0.7
181.01450	0.8
181.05093	1.9
182.02238	2.4
182.04620	0.6
183.06638	2.5
185.94278	0.5
189.09190	0.6
191.03714	0.4
191.10739	1.6
193.08647	1.3
193.12321	0.5
195.06668	0.8
203.07143	1.0
205.15857	0.4
206.09465	0.7
207.06583	1.0
207.10210	1.2
208.07393	2.0
209.04617	0.6
209.08168	3.2
217.08664	0.8
217.12343	0.7
219.06682	0.7
219.10213	0.9
219.13875	2.6
221.08255	3.3
221.11739	0.9
222.08636	2.8
223.09291	2.0
224.06915	26.7
224.09355	2.5
225.07323	2.4
231.06587	0.6
231.10159	1.0
231.13858	0.5
233.08252	0.9
233.11743	1.1
234.08551	1.0
235.09752	17.7
236.10077	1.6
247.13387	0.4
249.11192	0.9
249.14807	0.7
259.09494	0.4
261.11215	0.8
262.11426	0.4
263.12894	3.1
271.13458	0.5
273.11212	1.2
273.14917	0.5
274.11938	1.0
275.12811	1.4
276.13242	0.5
277.10562	0.6
277.14435	0.6
277.38562	0.4
291.15723	1.1
297.18402	0.4
299.12833	0.6
299.20221	0.6
301.17902	0.4
317.21072	1.8
319.18951	0.6
341.17575	0.8
343.19150	10.7
344.19305	1.4
361.20081	100.0
362.20560	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2021
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
55.01875	1.0
57.03440	1.0
58.29909	0.5
59.01373	4.7
61.98816	1.9
71.01376	0.5
71.72192	0.6
79.95737	1.3
81.03460	0.7
83.05032	2.1
84.08945	0.6
85.02968	4.5
85.06599	2.8
87.04520	2.2
95.01390	0.8
95.05034	3.3
97.02982	0.9
97.06608	4.9
99.04524	0.7
108.02200	0.6
109.02965	2.9
109.06615	1.0
110.03768	1.1
111.00896	6.9
111.04541	11.4
111.05296	0.7
111.08181	2.3
113.02462	6.5
113.06084	2.4
113.19555	0.5
119.04984	0.6
121.06644	0.7
122.03769	1.1
123.04559	1.9
123.08169	1.3
124.05334	1.0
125.02448	1.7
125.06120	1.6
125.09750	1.7
127.04072	0.4
130.55115	0.4
135.08176	1.6
136.01688	0.5
136.05359	0.7
137.02461	3.9
137.06093	1.2
137.09726	0.6
138.03264	0.5
139.07703	1.4
140.07245	0.5
141.05585	2.0
142.02756	0.6
144.00662	0.4
149.06059	0.5
151.04054	0.6
151.07584	0.7
153.01985	1.3
153.09250	8.2
154.09598	0.9
155.07158	1.6
161.06102	0.8
163.04024	1.1
163.07709	0.6
164.04861	0.8
165.05598	2.6
167.03497	1.4
167.07219	0.6
178.06410	1.0
179.07153	11.8
180.07935	4.1
180.35378	0.4
181.05080	24.8
182.02328	0.5
182.05530	1.5
183.06639	12.5
184.06984	0.7
189.05617	0.6
189.12776	0.4
191.03467	0.7
193.12407	0.6
195.06665	1.1
197.08215	23.4
198.08577	1.5
203.07297	0.8
204.07846	0.6
205.15970	0.5
207.06639	0.8
214.04831	4.7
221.08162	0.8
221.15558	1.1
223.06212	0.6
224.06895	11.4
225.07224	1.5
231.10318	0.8
231.14027	0.9
235.09828	0.8
249.11249	1.8
249.14964	9.6
250.15372	1.4
259.09872	0.5
273.14951	1.6
274.12134	1.0
274.15622	1.2
275.20248	0.5
292.13239	0.7
293.13571	0.6
301.18073	1.9
302.18903	1.4
315.19623	1.2
317.21271	4.1
318.21829	0.6
319.19049	2.8
343.19196	6.1
344.19620	0.8
361.16632	4.2
361.20224	100.0
362.16397	1.2
362.20584	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	361.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
59.01384	1.3
60.26812	0.4
66.67779	0.5
69.71462	3.4
69.71880	1.5
85.02969	2.1
85.06600	4.7
87.04522	1.9
95.05049	1.3
109.06606	0.6
111.00893	1.7
111.04530	5.6
111.08176	1.2
113.02475	1.2
113.06067	0.9
125.02444	0.7
130.22626	0.5
130.93205	0.5
137.02470	1.5
137.06087	0.8
139.07622	0.9
153.80058	0.5
155.07277	1.1
161.06082	1.0
162.06865	0.9
162.32681	0.6
163.04089	0.6
165.05527	0.7
177.01917	0.8
178.06322	0.8
180.07967	1.1
181.05110	5.8
182.05586	0.8
183.06639	12.1
184.07091	0.8
187.07648	0.6
189.12871	0.6
194.05836	0.9
195.06641	0.8
203.07170	1.3
204.07893	0.9
206.05942	0.7
207.14177	0.5
209.04556	3.1
213.09146	0.7
214.04848	1.9
215.10945	0.7
221.08353	0.7
223.06122	2.2
224.06886	3.9
229.08675	0.6
231.06685	3.8
231.10263	9.4
231.13902	2.0
232.10889	1.4
233.91840	0.5
240.18546	0.5
249.11317	4.5
249.14937	1.7
251.53679	0.5
257.12003	0.6
257.15323	0.7
259.09717	2.0
273.11404	2.4
274.12122	6.0
275.12894	4.7
277.10803	1.7
301.17996	1.8
302.18497	0.7
315.19870	1.0
317.20929	0.9
319.19299	0.6
343.19183	11.9
344.19485	1.6
349.97961	0.5
361.20212	100.0
362.20566	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	361.2021
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
51.46780	0.2
57.03443	0.5
59.01383	0.6
59.24754	0.2
61.98828	0.3
64.96509	0.3
68.99823	0.6
70.03639	1.3
75.18039	0.2
79.01901	0.7
79.05558	0.5
81.07124	0.3
95.01402	0.4
95.05035	0.4
97.06645	0.2
99.08160	0.4
101.06121	0.5
108.02200	0.4
109.02966	0.8
121.06677	0.3
123.04542	1.8
124.01681	0.5
125.02470	1.1
125.06098	36.2
126.06439	1.8
137.02458	0.6
137.09741	0.4
138.03308	0.3
149.02507	0.3
149.06012	0.3
150.03307	0.4
151.00371	1.1
151.04048	1.7
152.04747	0.5
163.11322	0.3
165.05605	2.0
179.07162	4.0
180.07767	0.7
189.09209	0.6
191.07109	0.5
193.05043	0.2
193.08719	7.1
194.09097	0.5
207.06653	1.9
207.10269	4.4
207.13936	0.4
208.07362	0.7
208.10600	0.3
209.08234	1.8
212.06944	0.7
221.08154	1.0
222.08990	3.4
223.09705	0.9
226.08455	2.4
235.09750	18.2
236.10056	1.5
263.09250	0.8
277.10901	0.4
277.14371	0.6
289.10867	0.4
322.43344	0.3
343.19226	0.6
361.20197	100.0
362.20529	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	361.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38135	0.2
57.11979	0.2
59.23968	0.2
62.51176	0.2
69.67269	1.4
69.67680	0.5
78.72874	0.2
82.13636	0.2
112.05347	0.2
124.01655	0.4
125.02450	0.9
137.02509	0.4
150.06857	0.6
151.00375	0.3
153.01981	3.3
154.02745	2.1
163.03981	0.5
165.05602	0.2
175.89717	0.2
178.06346	0.9
179.07088	0.3
180.00656	1.6
181.01439	2.3
181.05090	1.8
182.02219	9.5
183.02577	0.7
195.06613	0.5
197.60123	0.2
206.05836	0.8
207.06581	0.6
209.04552	1.0
223.06157	1.0
224.06897	100.0
225.07249	4.7
343.19131	0.9
361.20203	26.5
362.20535	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	361.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03448	1.3
59.01375	1.2
71.05013	0.7
71.73447	0.4
73.50556	0.3
79.01894	0.9
81.03452	0.3
83.05054	0.3
85.06596	2.4
87.04517	0.7
93.03492	0.3
95.05032	0.5
97.02968	0.6
97.06627	0.4
99.08157	0.3
107.05052	1.1
109.02993	0.4
109.06623	1.3
111.03796	0.5
111.04537	7.6
112.04913	0.3
121.06626	1.1
123.04517	1.2
123.08180	13.5
124.01558	0.3
124.08511	0.7
125.06101	0.4
135.04535	0.6
135.08170	0.3
137.09691	0.4
141.09250	3.8
141.60193	0.3
149.09702	1.7
150.06931	0.4
151.00304	0.3
151.04025	2.4
152.04781	0.5
152.67253	0.3
153.05565	2.6
161.09769	1.9
162.10081	0.2
163.07646	0.4
165.05611	0.3
165.09254	0.9
167.07133	0.7
167.10812	0.4
175.07642	0.3
175.11201	0.3
177.01894	0.4
177.09157	1.3
179.03528	1.6
179.10806	2.8
180.04283	1.9
182.02307	0.3
191.03511	0.7
191.10793	0.5
191.14412	0.3
193.08670	0.6
193.12318	1.1
195.06601	1.3
198.05331	0.3
203.07198	2.0
205.08740	0.5
207.06601	1.7
208.07347	0.6
209.08226	1.2
218.96825	0.3
219.06665	2.6
221.08214	13.8
222.08891	5.8
223.06396	1.3
223.09758	5.8
224.06898	2.2
224.10191	0.4
228.11575	0.3
229.15959	0.4
231.06657	2.2
231.10269	0.9
233.08197	3.8
234.08850	1.2
235.09712	1.4
245.11855	0.4
246.12677	1.5
249.14877	0.7
257.11884	0.6
259.09686	1.0
273.11465	0.8
273.14948	0.6
274.12112	4.1
275.12662	0.6
291.12720	0.3
291.15796	1.3
292.13156	0.8
292.16370	0.4
299.20163	1.2
301.16702	0.5
303.15900	0.4
306.11053	0.4
317.21286	0.8
332.00452	0.3
343.19174	8.7
344.19614	0.8
361.20215	100.0
362.20743	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	361.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
57.03452	0.6
61.32532	0.4
67.01891	0.9
69.82081	3.0
70.21320	0.5
71.74606	0.5
79.01886	0.8
81.03513	0.5
85.06611	1.4
87.04545	0.8
97.02977	0.5
97.06606	0.5
98.19813	0.8
106.95553	0.4
107.05040	0.5
109.02924	0.5
111.04544	10.9
121.06618	6.4
123.04553	5.6
123.08183	4.6
135.08182	2.4
137.06082	2.4
147.04594	0.7
148.05432	0.4
149.09795	0.6
150.79660	0.4
151.04034	2.4
163.04050	0.4
165.05594	12.6
165.09248	0.6
166.05916	0.7
167.07242	0.5
174.06940	0.7
176.08482	0.5
177.01923	1.1
189.09247	8.9
190.09659	0.8
191.03526	2.6
191.10806	10.6
192.11165	1.0
193.08795	0.7
203.07182	1.7
205.95641	0.4
207.10347	0.9
209.08286	0.9
217.08742	5.0
218.09264	0.5
219.06607	0.4
221.08191	11.5
222.08626	0.9
233.08220	1.3
235.09770	57.8
236.10072	5.0
274.12167	0.8
343.19101	3.5
344.19531	0.5
361.20212	100.0
362.20572	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	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88443	0.2
54.89003	0.2
55.01876	0.8
57.03452	3.1
59.01377	0.2
61.97617	0.2
67.01922	0.2
69.48668	1.1
69.49092	0.7
71.05027	1.1
79.01896	0.7
79.05539	0.4
81.03469	0.6
83.05022	0.7
85.06584	1.4
87.04528	0.2
94.02166	0.2
95.05037	0.7
97.02946	0.6
97.06604	0.7
98.19920	0.5
105.07080	0.3
107.05056	1.3
111.04543	4.5
111.08154	0.7
121.06628	1.8
123.04534	0.5
123.08184	23.9
124.08506	0.9
125.09731	0.5
133.06529	0.2
134.07318	0.2
135.08215	0.4
137.06155	0.3
137.09789	0.2
139.04022	0.4
141.09259	2.4
147.08182	0.8
149.06107	0.6
149.09740	6.5
150.06912	1.2
150.09996	0.4
151.03998	0.6
151.07616	0.7
151.11324	0.5
156.18173	0.2
161.09801	0.2
163.07652	0.3
164.04852	0.2
165.05606	0.6
165.09239	2.3
167.07187	0.9
167.10855	1.4
173.09760	0.2
174.10603	0.4
177.12813	0.3
179.03540	0.2
180.04239	0.3
189.09196	0.5
191.10793	1.1
193.12370	1.4
195.10260	0.3
198.83075	0.2
207.06575	0.3
208.07414	0.4
209.08220	3.3
210.08699	0.3
217.08592	0.3
221.08182	1.6
222.08911	0.4
223.09877	0.2
229.15979	0.8
235.09732	3.0
236.10080	0.3
247.17065	0.7
249.14954	0.7
263.12921	0.3
273.14960	0.3
281.19168	0.3
291.16016	1.8
297.18625	0.3
299.20184	1.9
300.20508	0.5
302.19006	0.2
317.21240	3.0
318.21616	0.5
343.19165	3.7
344.19467	0.6
361.20209	100.0
362.20587	14.4
362.27237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03433	1.2
68.70776	0.3
69.70764	2.2
69.71093	0.5
73.10673	0.3
74.26627	0.3
83.05038	0.3
85.06596	0.3
97.06561	0.4
107.05067	0.5
111.04549	1.3
120.51292	0.3
121.06540	0.3
123.08184	8.2
124.08507	0.3
141.09186	0.5
147.08177	0.4
149.09723	2.7
165.09196	0.9
167.10844	0.3
221.08145	0.4
222.08969	0.4
229.16071	0.4
291.16107	0.7
299.20197	1.2
317.21143	1.0
343.19009	0.5
361.20203	100.0
362.20529	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.202
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
50.85279	0.2
54.21222	0.2
56.66301	0.2
57.03445	0.7
59.01344	0.6
61.98826	0.4
62.68233	0.2
68.99823	0.6
70.92500	0.4
70.92853	0.7
77.17812	0.2
79.01895	0.6
79.05522	0.5
92.51372	0.2
95.05068	0.6
97.02937	0.4
101.06113	0.3
105.03479	0.3
107.05029	0.3
109.02955	1.2
109.06594	0.4
109.84475	0.2
111.04567	0.4
122.03741	0.5
123.00897	0.4
123.04533	2.3
123.08209	0.3
124.01702	0.4
125.02467	1.0
125.06103	36.5
126.06451	1.5
137.02434	0.7
138.03226	0.5
147.38029	0.2
149.02495	0.4
150.04868	0.2
151.00414	0.8
151.04019	2.6
151.42316	0.3
151.43619	0.2
152.04727	0.4
163.11273	0.8
165.05598	1.4
179.03625	0.3
179.07150	5.1
180.07668	0.6
188.52025	0.2
191.07169	0.6
192.07913	0.3
193.04993	0.3
193.08717	7.6
194.09198	0.4
207.06712	1.6
207.10297	4.3
207.13881	0.3
208.07353	0.9
208.10500	0.5
209.08208	1.9
212.06865	1.1
212.65237	0.2
221.08212	1.1
222.08952	3.8
223.09721	1.1
224.06943	0.5
226.08482	2.8
233.28546	0.3
235.09758	19.5
236.10120	1.2
263.09167	0.8
263.12570	0.2
277.10846	0.6
277.14294	0.5
333.20850	0.3
343.19296	0.9
361.20206	100.0
362.20551	14.8
365.41214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2021
Annotation	Juruenolide D
Peak:m/z	Relative Intensity
57.03439	4.2
59.01374	2.1
61.98817	1.0
71.05022	0.6
71.71967	0.5
79.01902	0.5
79.17116	0.4
83.05018	0.6
85.02959	0.6
85.06602	1.1
95.01349	0.6
95.05041	0.6
97.06651	0.7
107.05046	0.7
109.02952	0.5
109.06598	0.5
111.00878	0.6
111.04537	3.3
115.95168	0.5
121.06631	1.0
123.04522	0.8
123.08148	4.3
125.06084	0.7
127.49794	0.5
132.24614	0.5
135.04553	0.6
135.08206	0.8
137.02434	1.1
137.09755	0.6
138.03218	1.0
151.00250	0.6
151.04044	2.0
151.07689	1.8
153.01996	0.6
153.09258	1.0
161.06073	0.5
165.05617	0.8
165.09204	0.6
165.12967	0.5
166.02753	0.9
179.03499	0.7
183.06586	0.6
191.07117	0.5
191.10818	0.8
193.12317	1.0
205.08672	0.9
207.06618	0.8
207.10229	0.5
208.07433	1.5
209.08154	0.6
221.08194	1.5
222.08611	0.8
224.06905	2.9
233.08220	5.7
233.11868	1.2
234.08604	0.6
235.09750	1.4
245.11783	0.5
249.11273	0.9
249.15070	1.1
256.14630	0.5
259.17007	1.1
261.11203	0.7
291.15955	1.5
292.13199	1.5
299.20297	0.6
303.16061	7.7
304.16406	1.1
315.19693	0.9
317.21158	4.7
333.17084	3.1
343.18979	1.1
361.16510	6.6
361.20215	100.0
362.16867	1.1
362.20575	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	361.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03445	1.6
59.01381	0.6
68.99844	0.4
70.29733	1.3
71.05022	2.5
78.59933	0.3
80.02673	0.5
81.03455	0.7
83.05038	1.4
85.06605	3.5
87.04519	0.9
93.03453	0.4
97.02965	1.1
107.05054	1.0
109.02941	0.8
109.06610	9.3
110.03740	0.4
111.04535	15.7
112.04884	0.4
121.06658	1.6
121.23517	0.4
123.08186	13.4
124.08512	1.0
125.02442	0.7
125.06103	0.4
126.78548	0.3
135.04565	1.1
136.05302	1.0
137.02437	1.0
137.09706	0.6
138.03256	4.3
139.07684	0.6
141.09248	2.2
149.06186	0.4
150.06889	3.5
151.00400	0.4
151.04030	1.2
151.07632	0.6
152.04749	1.2
153.01956	0.4
155.10718	0.4
163.07639	0.6
165.02058	0.4
165.05576	0.7
165.09196	1.0
167.07179	2.9
176.08556	0.3
177.05556	0.7
177.09334	0.4
179.03540	0.7
179.07217	0.4
179.10797	13.2
180.00615	0.5
180.04355	0.9
180.11105	1.1
181.05016	0.9
182.02222	1.2
191.06917	0.3
191.14388	0.6
193.05096	0.7
193.08675	0.4
193.12366	3.5
195.06656	5.1
198.05400	0.4
205.08583	0.6
205.15974	1.5
206.09541	0.6
207.06686	1.7
208.07426	1.0
209.08159	1.4
221.08199	1.9
222.05493	0.4
222.08884	2.1
223.06110	5.0
223.09671	0.7
223.17041	0.8
224.06891	8.0
231.13879	0.8
232.07390	0.7
235.09647	0.7
235.13455	0.6
236.07005	0.5
237.07689	0.6
247.17029	1.0
249.14961	10.8
250.08615	0.6
250.15323	0.8
273.15118	0.4
291.16028	13.4
292.16403	1.4
299.20178	0.4
305.17767	0.5
317.21283	2.6
318.21454	0.5
333.17108	1.6
343.19232	0.8
361.20227	100.0
362.17276	14.8
362.20688	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18277	0.1
55.01876	0.5
57.03221	0.2
57.03454	2.4
57.27118	0.2
59.01384	0.3
64.49741	0.2
66.23666	0.2
69.03447	0.2
71.01412	0.3
71.05016	1.1
71.29639	0.2
79.01908	0.4
81.03468	0.4
82.11108	0.2
83.05030	0.4
85.06603	1.7
87.04542	0.3
95.05013	0.3
97.02951	0.6
97.06598	1.1
99.08152	0.3
105.07099	0.2
105.79941	0.2
107.05053	0.6
108.02155	0.2
109.06625	0.2
111.03800	0.3
111.04549	5.1
111.08185	1.5
121.06609	0.5
123.04559	0.4
123.08188	8.1
125.06149	0.3
133.45955	0.2
135.04567	0.2
137.02487	0.2
139.03986	0.2
139.07637	0.2
141.09236	1.1
147.08179	0.3
149.09744	2.1
150.06897	0.4
150.09962	0.2
151.04002	0.6
151.07689	0.5
152.04747	0.2
161.09767	0.3
163.11308	0.4
165.09236	2.1
166.09552	0.2
167.07162	0.5
167.10788	1.8
177.09225	0.4
177.12837	0.3
179.03511	0.6
179.10715	0.3
180.04297	1.7
191.10794	0.2
191.14433	0.2
191.37265	0.2
193.08684	0.2
193.12392	1.1
195.10281	0.4
207.06651	0.7
208.07420	0.2
209.08195	1.3
221.08189	2.5
222.08983	3.7
223.09332	0.4
224.06886	0.8
229.16020	0.5
233.08282	0.3
235.09773	0.3
245.15613	0.3
246.16112	0.3
247.16963	0.5
249.14914	0.7
254.07909	0.2
259.17120	0.2
273.14993	0.2
291.16028	1.8
292.16293	0.3
295.22559	0.2
299.20093	0.7
317.21136	1.8
318.21527	0.2
343.19199	1.2
361.20209	100.0
362.20547	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	361.1653
Annotation	Humirianthol
Peak:m/z	Relative Intensity
55.62975	0.6
57.03429	2.3
59.01382	5.0
61.98825	0.8
69.49882	0.6
71.01347	1.1
71.71384	0.7
71.71747	1.0
79.01898	1.6
80.02665	0.9
85.06574	2.3
93.84171	0.7
95.01347	0.7
95.05051	0.8
97.06586	0.9
101.59566	0.7
109.02917	0.8
111.00877	1.3
111.03835	1.3
111.04536	18.4
111.08089	0.7
113.02419	0.7
121.06625	0.7
123.00878	2.0
123.08138	1.3
125.02377	0.9
125.06059	1.7
133.06564	1.0
135.08110	0.9
137.02361	1.0
137.06079	1.3
138.03166	0.7
138.43086	0.7
139.04050	0.8
151.00415	3.9
151.04041	4.0
151.07610	0.8
152.04443	1.2
163.04004	0.8
165.01877	1.8
165.05649	4.0
166.06357	3.3
169.04994	1.1
177.05518	0.9
179.03458	3.1
179.06967	1.2
181.04976	1.6
191.06882	0.7
193.05118	4.7
193.12296	1.1
194.05869	6.2
195.06628	5.0
198.05338	5.4
207.06679	3.3
208.07263	1.4
209.08110	0.7
211.06024	0.8
212.06856	1.4
219.06512	0.9
221.07961	2.2
222.05438	0.8
223.05995	2.5
224.06911	3.6
235.06081	1.5
235.09251	0.9
236.06918	7.4
236.09293	1.0
249.11176	1.0
263.12857	3.8
315.15915	3.1
317.20734	0.8
333.17081	60.1
334.17426	7.2
343.15414	0.7
361.16306	100.0
361.20026	20.9
362.16934	23.1
362.20529	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	361.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	19.9
61.98820	8.0
71.01382	8.9
71.13646	2.1
73.02953	3.7
74.99082	3.0
75.00858	3.9
80.05074	2.2
83.91623	1.9
85.02966	4.3
87.00874	2.7
87.48125	2.0
89.02459	6.4
99.00902	2.1
101.02469	5.3
110.02441	2.7
111.00905	4.0
113.02507	2.6
119.05041	70.6
120.05348	2.1
137.02455	16.5
139.04008	2.9
161.04683	3.5
163.04039	100.0
164.04384	4.0
173.04610	2.3
191.05684	13.5
192.03223	2.3
199.06007	2.3
199.09735	4.5
229.29189	2.6
230.11958	2.3
249.06163	3.7
254.20177	2.2
255.11208	2.7
299.07733	2.6
317.11520	2.9
361.07086	3.1
361.10934	4.1
361.15143	9.2
361.19824	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	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.43946	0.4
57.03453	0.6
57.32561	0.3
58.12130	0.4
59.01382	5.8
59.57616	0.3
71.01393	3.2
71.05270	1.0
73.02959	0.7
81.07755	0.4
83.05031	3.9
85.02967	0.8
89.02456	1.4
95.01421	0.4
97.24659	0.4
101.02464	1.7
109.06564	0.5
113.02457	2.4
119.03502	0.7
135.08171	0.6
137.09747	11.0
138.10077	0.8
139.11276	0.4
146.61751	0.4
155.10799	54.3
156.11124	2.9
161.04468	0.6
169.12399	0.9
170.75517	0.4
173.39647	0.4
179.10730	1.2
181.08748	2.1
190.23463	0.4
197.11855	0.6
199.09772	100.0
200.10109	6.1
213.11348	0.9
223.09807	3.4
241.10828	2.2
275.00427	0.6
298.97910	0.4
361.15033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23183	0.5
53.13213	0.5
57.03448	1.3
59.01385	1.7
64.88595	0.4
70.06497	1.5
70.06912	1.4
71.01414	0.6
89.02448	0.6
91.04015	2.2
95.05037	0.5
98.82667	0.5
109.06643	0.6
112.25493	0.5
123.04596	0.7
138.03256	0.9
151.04062	2.4
163.04099	0.6
177.05585	1.1
179.07152	0.9
193.12427	0.6
202.69957	0.6
212.51122	0.5
219.10234	0.8
221.19101	0.7
223.20676	84.3
224.21033	8.2
241.21828	2.0
258.01590	0.5
267.19638	64.5
268.19955	7.6
285.20706	100.0
286.21054	11.0
287.08060	0.5
290.15253	1.5
315.19559	0.6
341.17612	0.7
359.18463	5.6
359.24277	54.3
360.18829	1.5
360.24567	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	360.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70279	0.2
53.85659	0.2
59.01378	6.0
70.07225	1.0
71.01384	0.4
77.07211	0.2
77.20134	0.2
84.47670	0.2
85.02968	0.2
89.02464	0.5
101.02445	0.3
107.08685	0.2
107.11622	0.2
108.02185	6.6
109.02515	0.3
110.81606	0.2
113.02436	0.2
119.08630	0.2
121.02993	0.2
137.02457	0.3
138.01987	100.0
139.02356	3.9
151.02744	0.5
152.52678	0.2
160.04071	0.3
161.04733	0.2
180.03033	0.4
181.08740	0.4
184.70332	0.2
191.05664	0.6
198.65059	0.2
199.09744	0.7
226.50677	0.2
240.90561	0.2
324.39124	0.2
360.10657	0.3
361.15015	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	359.2232
Annotation	11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.07577	0.2
55.01873	1.1
55.13605	0.2
57.03173	0.4
57.03449	6.2
58.03779	0.2
59.01377	0.6
67.01904	0.3
69.03451	0.5
70.46761	0.9
71.01395	0.4
71.05024	1.9
73.02956	0.2
79.05551	0.4
81.03452	0.8
83.05034	3.0
85.02967	1.8
85.06599	31.3
86.06934	0.8
87.04524	24.2
88.04854	0.8
93.03488	0.4
93.07132	0.4
95.01399	0.2
95.05039	3.8
97.02989	0.4
97.06577	1.4
98.20580	0.3
99.04528	0.2
99.08170	0.9
107.05043	3.9
108.02197	0.6
109.02960	0.9
109.06606	2.9
111.00890	0.3
111.04539	4.0
111.08173	3.8
113.89574	0.2
119.05097	1.1
120.05879	0.3
121.02991	0.8
121.06618	2.7
122.03748	1.1
123.00964	0.4
123.04543	2.1
123.08195	2.6
124.05360	0.4
125.02464	0.5
125.06089	1.6
125.09729	1.2
133.06598	1.7
135.04558	0.8
135.08179	1.3
136.05356	0.3
137.02444	0.3
137.06107	1.6
137.09767	0.7
138.03250	1.4
139.03969	0.3
139.07672	1.3
145.03043	0.4
147.04584	0.3
147.08151	0.7
148.01689	0.9
148.05304	0.2
149.02466	1.1
149.06097	0.6
149.09769	1.8
150.03230	0.9
150.06895	2.0
151.04030	22.2
151.07658	1.6
151.11244	0.2
152.04811	2.2
153.09190	1.6
159.08157	0.9
161.06116	1.1
161.09731	0.8
162.06976	0.3
163.04033	1.3
163.07677	3.9
163.11348	0.8
164.04723	0.7
164.08359	0.2
165.05592	3.1
165.09225	5.5
165.80586	0.3
166.09593	0.3
167.10815	1.3
173.09737	1.0
175.07654	1.7
175.11293	1.0
176.08409	0.8
177.01978	2.2
177.05586	1.0
177.09206	3.7
178.06361	0.6
178.09793	0.4
179.07239	0.3
179.10728	1.4
181.12372	1.2
182.05907	0.4
185.09772	0.3
186.10320	0.3
187.07803	0.2
187.11269	0.6
189.09225	0.6
189.12842	0.4
190.02710	0.3
191.03528	5.4
191.07143	5.9
191.10742	2.2
192.04137	0.6
192.07938	2.0
193.08627	0.6
193.12407	1.0
201.09242	0.4
201.12910	0.9
202.13118	0.2
203.07170	0.9
203.10791	1.9
203.14410	0.5
204.11295	0.2
205.08725	0.4
205.12404	0.6
208.07310	0.4
215.10838	1.2
215.14447	0.3
217.08649	0.3
217.12303	0.9
217.15909	0.3
219.06650	5.5
219.13875	2.4
220.07297	1.1
221.08206	0.9
221.11887	0.9
229.12334	1.2
230.12917	0.4
231.10237	0.4
231.13843	1.4
233.08180	0.7
233.11845	0.7
233.15469	2.7
234.08989	13.0
235.09357	1.3
243.13940	0.6
245.11797	1.0
245.15463	0.8
246.12581	0.8
247.13379	3.6
247.17114	0.5
248.14116	1.4
253.15982	0.5
255.13939	0.7
259.13327	0.3
261.14957	3.1
261.18298	0.5
262.12158	0.3
262.15497	0.3
271.17029	9.3
272.17404	0.9
273.14963	4.5
273.18546	1.6
274.15430	0.4
274.18817	0.2
275.12967	0.3
283.13708	0.2
283.17108	0.5
287.16638	0.5
288.17203	0.5
289.14526	0.8
289.18060	7.9
290.15277	3.6
290.18533	0.9
291.15558	0.6
297.22162	0.4
298.15851	0.3
299.16666	0.7
299.20047	0.5
301.18015	0.5
313.21747	1.0
315.19617	1.2
315.23358	0.6
316.13171	0.3
316.16751	0.5
317.17648	2.2
323.20096	0.4
331.19138	1.9
331.22888	2.0
332.19632	0.3
332.23218	0.3
341.17764	0.4
341.21240	8.5
342.21545	1.5
359.18552	48.4
359.22363	100.0
360.18890	7.1
360.22687	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	359.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13831	0.5
69.60401	4.4
85.70790	0.4
116.86516	0.5
123.04527	0.6
123.08237	0.5
151.04031	0.9
152.04803	2.1
179.03482	4.0
180.04297	12.8
181.04703	0.9
193.08647	1.0
207.06609	1.1
221.08231	4.5
222.08968	53.4
223.09247	4.6
300.37311	0.6
315.23257	2.9
359.22269	100.0
360.22623	16.7
373.50513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2229
Annotation	11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01878	0.5
57.03448	6.3
59.01370	0.9
61.98823	0.3
67.81935	0.2
69.03448	0.4
69.73093	2.2
71.05019	1.3
73.02969	0.3
79.05529	0.3
81.03474	0.5
83.05038	3.0
85.02956	2.0
85.06598	29.3
86.06929	1.0
87.04525	22.9
88.04825	0.6
95.05034	2.7
97.06610	1.5
99.08186	0.7
107.05056	3.2
109.02949	0.6
109.06615	2.6
111.04535	1.3
111.08168	4.2
121.06602	2.5
122.03757	0.5
123.04552	0.8
123.08194	2.3
125.06133	1.5
125.09748	1.1
133.06613	1.2
135.04568	0.6
135.08182	0.8
136.05299	0.4
137.06105	1.0
137.09714	0.8
138.02196	0.3
138.03261	1.1
139.07671	0.8
140.70512	0.3
142.47551	0.2
145.06604	0.3
147.08203	0.6
148.37773	0.2
149.06075	0.6
149.09737	1.7
150.06888	2.0
151.04025	5.9
151.07668	1.3
151.11290	0.4
152.04433	0.3
153.09265	1.4
154.10039	0.4
159.08167	0.9
161.06064	0.8
161.09724	0.8
163.04140	0.3
163.07683	4.0
163.11311	0.9
164.04832	0.8
165.09225	4.8
167.10800	0.9
171.08038	0.3
171.10298	0.7
173.06100	0.3
173.09721	1.0
175.07645	0.7
175.11241	0.8
176.08395	0.5
177.09225	3.8
178.09695	0.4
179.07158	0.5
179.10774	1.2
181.08702	0.4
181.12317	1.0
182.05856	0.7
185.09705	0.5
187.11380	0.4
189.09225	0.4
189.12769	0.3
191.10823	2.0
193.08669	0.3
193.12337	0.9
195.06604	0.3
201.12881	1.1
203.07074	0.4
203.10777	2.0
203.14368	0.5
205.12311	0.5
213.09175	0.3
215.10777	0.6
215.14354	0.4
217.12340	0.5
217.16029	0.3
219.10454	0.3
219.13907	2.7
221.08078	0.4
221.11816	0.4
229.12358	0.7
231.10258	0.3
231.13905	1.1
233.11815	0.8
233.15417	2.7
243.02805	0.3
243.13934	0.3
245.15506	1.0
246.12624	0.6
247.13387	4.0
247.17101	0.3
248.14053	0.8
251.43140	0.3
255.13942	0.6
257.11996	0.3
258.01627	0.7
261.14911	2.2
261.18622	0.5
269.15155	0.3
271.17044	7.6
272.17303	1.0
273.14957	4.9
273.18549	1.4
275.01840	0.6
281.19028	0.3
283.02457	0.5
283.16989	0.6
287.16556	0.4
288.02441	0.5
288.17300	0.8
289.02502	0.9
289.18088	7.9
290.04440	0.4
290.15228	4.2
290.18402	0.9
291.15567	0.6
300.02301	1.6
301.02496	5.3
301.18066	0.3
313.21725	0.9
315.19727	0.3
315.23306	0.6
316.16837	0.4
317.17621	1.0
323.20303	0.5
331.22644	2.0
332.23248	0.3
341.17740	0.3
341.21243	8.6
342.21619	1.5
344.08252	1.3
345.64523	0.3
359.10889	4.7
359.18707	6.7
359.22305	100.0
360.18985	1.0
360.22647	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72248	0.4
57.03453	1.9
59.01381	1.1
63.00299	0.3
65.00341	1.2
70.87273	1.4
78.37691	0.4
79.05556	1.6
81.03484	1.8
83.05033	0.9
85.03008	0.6
85.04782	0.4
85.06606	3.3
87.00892	0.5
87.04507	1.9
92.82630	0.4
93.03490	1.4
93.60692	0.4
94.22486	0.4
95.05054	1.1
99.42194	0.4
102.24602	0.5
105.07126	0.8
107.05050	1.1
108.02204	0.5
109.02979	6.1
109.06605	43.5
110.06938	2.1
111.04523	3.1
121.06650	0.6
123.04562	0.9
123.08176	3.6
133.06631	4.8
135.04576	1.8
135.08067	0.4
136.05315	2.4
137.06126	2.7
139.04054	0.9
147.08189	0.5
147.11830	2.2
149.06123	1.9
150.06880	2.5
151.04059	1.7
151.07664	27.5
152.08015	1.2
159.08171	0.6
161.06133	1.2
162.06934	0.5
163.04041	0.7
163.07626	1.0
163.11279	0.9
164.04802	0.4
165.05626	1.5
175.07663	1.3
175.11330	1.2
176.08417	0.9
177.05603	1.0
177.12860	0.8
178.06360	3.0
179.07130	3.2
179.14473	1.0
189.12865	0.5
190.06413	0.8
191.07118	1.4
192.07841	0.5
201.12852	0.5
203.07217	1.0
203.10786	3.6
203.14346	0.4
204.11182	0.5
205.08685	1.7
219.10190	1.9
231.10281	2.7
232.11090	0.4
233.11908	2.6
243.17723	0.6
245.11765	1.0
245.15408	3.7
245.19084	5.6
246.12550	1.0
246.15675	0.5
246.19461	0.9
247.09724	0.7
273.18604	1.6
287.20187	2.8
289.14822	0.4
289.18036	1.9
290.15244	0.5
297.18573	1.3
298.18945	0.5
315.19662	100.0
316.20004	12.7
331.19098	0.7
341.17807	0.4
359.18610	47.2
359.22394	5.1
360.14642	0.5
360.18930	7.4
360.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41100	0.3
52.76922	0.3
59.01366	0.4
68.48003	0.3
70.75034	1.0
79.01913	0.6
85.06605	0.5
107.05001	0.7
109.02946	0.8
111.04532	2.6
121.02974	0.3
121.06583	0.5
122.03716	0.4
123.04586	1.5
123.08167	0.7
124.01678	0.6
125.06123	2.0
135.04533	0.5
137.02441	1.4
137.09743	0.8
138.03246	2.1
139.03941	0.3
149.02429	0.7
150.03265	1.5
151.04016	3.1
162.03241	0.6
162.38635	0.3
163.04028	5.4
164.04625	0.8
165.01942	1.4
165.09276	0.4
166.02734	8.4
167.03362	0.9
177.01923	1.2
177.05602	1.9
177.09213	0.6
179.03542	0.7
180.04295	0.7
187.07607	0.4
189.01936	2.0
189.05571	0.3
190.02704	0.4
191.03511	3.2
191.07144	1.4
192.04277	0.5
192.07921	1.0
193.05060	0.4
193.08640	1.0
203.07214	1.5
205.05064	0.4
205.08687	0.9
206.09436	1.4
207.06674	2.1
207.10086	0.4
208.07410	6.2
209.08234	0.8
215.07083	0.6
217.08804	0.7
218.05908	0.5
219.06656	7.7
219.10170	3.9
220.07358	4.0
221.08195	25.2
222.08986	14.6
222.10660	0.2
223.09253	1.3
229.08730	4.6
229.12225	0.4
231.13907	0.8
233.08195	8.4
233.11673	0.4
234.08968	5.8
235.09772	12.4
236.10023	1.0
243.13857	0.4
245.15509	0.7
247.09744	100.0
248.10118	9.5
248.12456	0.2
259.09711	0.8
261.11380	1.5
261.14963	2.9
273.11264	0.6
275.12863	7.4
276.13400	0.6
289.14453	14.5
290.15198	10.1
290.20749	0.3
291.15610	1.0
303.16022	5.7
311.37817	0.3
315.20139	0.3
315.23300	1.8
317.13998	0.8
317.17560	0.6
322.14383	0.6
341.17578	0.6
342.18542	0.3
345.17276	0.5
351.56354	0.4
359.18536	12.3
359.22336	78.4
360.19336	20.7
360.22827	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	359.1502
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.85986	1.3
55.01881	2.4
57.03447	2.4
57.25703	1.1
59.01380	4.7
61.98824	1.8
68.99821	2.5
71.01371	1.4
71.71767	2.4
83.01410	2.8
85.02954	3.8
85.24776	1.1
87.04518	1.3
95.01398	9.1
95.05006	2.1
107.05035	2.1
108.02187	3.2
109.02969	5.4
109.06601	2.8
110.00108	8.4
111.04536	4.6
121.06641	2.9
123.00902	100.0
123.04561	7.5
123.97044	1.4
124.01696	47.7
125.06075	2.0
135.04546	2.5
136.01636	2.6
138.03247	29.5
139.00372	2.2
139.04050	29.5
140.04332	1.6
146.00017	1.2
147.08211	1.5
150.06857	2.8
151.00372	2.0
151.04031	65.9
151.07634	2.5
152.04675	5.1
161.06094	4.7
162.06876	14.8
163.03992	9.0
163.07620	4.7
165.05571	5.5
173.06107	2.7
175.03969	2.3
177.05560	3.1
178.06384	5.9
179.07153	5.7
181.08745	2.0
189.05608	11.7
190.06369	12.2
191.03508	1.9
191.07153	35.5
192.07603	3.5
193.08557	1.4
205.05049	5.5
205.08707	70.1
206.05861	29.6
206.09042	6.1
207.06491	3.8
207.10190	2.2
219.06638	2.3
220.07462	2.3
221.08194	20.1
222.08699	2.2
234.08740	1.6
241.16020	2.4
243.02785	1.3
258.01660	2.3
259.17062	2.1
287.19971	5.8
289.07104	2.6
290.15225	9.4
291.15570	1.3
301.07410	1.3
301.10742	3.2
313.10809	3.3
315.19635	19.1
316.19943	2.7
317.17419	1.7
327.12219	1.9
329.10327	29.0
330.10699	3.1
331.19110	3.5
344.12665	48.5
345.13062	6.1
359.07739	2.7
359.14899	83.3
359.18652	62.6
359.22342	61.7
360.15189	10.7
360.18967	10.8
360.22690	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	359.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03445	1.9
59.01369	1.5
61.98838	0.5
71.01389	0.5
71.05013	1.2
71.71870	0.4
71.72241	0.6
72.42759	0.4
77.72099	0.4
79.01926	0.4
79.05522	1.1
83.01388	1.5
85.06581	0.5
86.01772	0.4
87.04517	2.5
95.01408	0.7
95.05032	2.1
97.02991	0.6
107.05039	0.5
107.60121	0.4
109.02956	0.5
109.06616	2.7
111.00915	0.6
111.04536	9.7
111.08148	1.3
115.05487	0.4
121.06643	0.8
122.03750	1.1
123.04558	0.9
123.08187	2.9
124.05328	12.3
125.06074	1.7
133.06548	0.6
137.06096	6.6
138.03220	1.1
138.06522	0.6
139.04030	0.5
139.07664	9.5
139.11206	0.6
140.08052	0.4
149.06114	0.5
151.04034	3.4
154.99883	8.0
163.03981	0.6
165.05646	0.5
165.09229	0.8
166.02756	0.5
177.09114	0.4
178.06337	0.4
179.03586	0.4
185.09804	0.6
187.11256	1.5
189.09142	0.5
191.03537	0.6
191.10741	0.6
193.08669	1.8
193.12416	1.0
203.07126	0.9
203.10837	0.6
205.05060	0.9
206.05811	0.6
207.06468	0.5
208.07372	1.1
213.09230	0.6
219.06674	0.9
221.08185	9.0
222.08600	1.0
231.10214	2.2
233.08351	2.5
233.11768	1.8
234.08713	0.5
247.09689	1.4
247.13365	0.8
255.13832	1.5
257.08084	0.5
257.15463	3.6
258.01740	0.6
271.09711	0.5
271.13113	0.6
272.10318	0.4
272.14090	0.6
273.14902	0.9
283.02701	0.4
283.13370	1.1
289.14594	1.1
290.11847	0.5
290.15097	0.4
299.12903	0.5
299.16171	0.5
300.13605	1.2
301.03500	0.5
301.14456	17.6
302.14813	1.8
315.19693	1.5
317.17554	1.3
330.35062	0.4
341.17538	1.1
341.21246	5.3
342.21561	0.5
359.18588	100.0
359.22333	9.8
360.18961	14.0
360.22684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01874	2.4
57.03450	1.4
59.01382	19.0
69.75981	4.8
69.76395	1.2
71.01385	9.1
72.99341	0.9
73.02945	3.6
80.57733	0.8
80.68342	0.9
83.01405	1.4
85.02943	4.3
87.04501	1.3
89.02460	9.5
95.01374	1.2
97.02959	1.2
98.20581	1.9
101.02466	5.2
106.04236	2.1
113.02473	7.7
117.22211	0.8
119.03510	3.4
123.04493	1.4
133.10257	1.8
135.08165	10.7
153.09230	88.3
154.09560	5.4
161.04550	1.1
161.05847	1.0
175.07657	0.9
177.09216	3.3
179.05705	1.8
179.07082	3.9
197.08202	100.0
198.08534	5.7
221.08252	5.3
230.47652	0.8
239.09280	4.5
329.14096	1.2
359.13394	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
50.96880	0.9
52.63282	0.8
55.01864	1.0
57.03447	1.1
59.01382	5.4
71.01372	2.8
71.05009	0.8
72.99308	0.9
73.02938	5.3
80.05080	1.0
83.05039	0.9
85.02958	3.7
87.00879	0.9
87.04525	5.1
89.02459	1.4
95.01389	0.8
96.96029	1.2
97.02988	1.0
101.02431	1.0
101.69196	0.7
111.00877	2.1
113.02471	3.9
123.04498	1.8
125.02465	1.0
132.04565	3.6
135.08159	4.6
150.05632	1.4
152.07184	2.3
153.09233	85.3
153.68091	1.0
154.09576	4.7
155.01804	1.0
160.05351	0.8
175.04042	3.2
179.07188	1.1
191.05672	1.1
195.10179	1.0
197.08212	100.0
198.08556	6.0
217.05318	0.9
221.08223	2.4
225.09167	2.2
239.09268	2.2
241.08743	1.2
253.08612	1.4
269.07993	1.1
287.09329	1.9
297.12585	2.0
299.11499	1.3
301.03830	2.6
315.09109	1.0
315.13596	1.2
341.10480	2.3
359.07883	3.1
359.13882	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64708	0.3
59.01377	0.7
69.55556	3.1
76.29263	0.3
81.45102	0.4
83.25097	0.3
91.52196	0.3
93.65317	0.4
95.01392	0.4
109.02962	2.3
109.57912	0.4
143.05101	0.5
151.00467	0.6
159.04486	0.8
163.04028	0.6
171.04596	1.9
187.04063	2.2
189.01956	0.4
191.03491	1.0
203.03488	1.6
213.01884	0.4
215.03545	4.7
216.04033	0.5
217.01408	0.8
224.48633	0.4
229.01309	0.5
230.02214	1.2
231.02985	4.5
232.03345	0.4
241.01483	0.5
242.02174	0.5
243.03015	1.8
244.03323	0.5
257.98972	0.3
258.01672	10.1
259.02463	93.9
260.02789	6.7
271.02472	4.2
272.03091	0.8
273.04059	0.4
283.02509	2.2
284.02942	0.4
287.01968	54.2
287.22128	0.9
288.02316	4.0
298.04962	0.3
301.03513	0.8
313.07294	0.6
323.05713	0.7
341.06610	3.6
359.07733	100.0
359.27948	0.9
360.08069	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	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29995	0.4
51.31650	0.4
51.73814	0.4
59.01371	0.5
65.08597	0.4
71.17632	1.2
71.19057	0.4
79.29208	0.4
103.19642	0.4
105.13891	0.4
108.68592	0.4
109.51585	0.4
117.03477	0.7
145.02974	1.7
151.00391	1.1
161.02505	0.7
163.04019	0.7
173.02594	2.0
184.51764	0.4
189.01991	1.9
201.01938	0.9
215.03568	0.4
217.01428	43.2
218.01810	3.0
229.01482	0.8
239.03462	0.5
243.02936	0.7
245.00906	19.7
246.01273	1.8
256.03714	0.5
257.01193	0.4
258.01682	0.6
259.02548	3.1
266.02188	0.4
267.02963	9.9
268.03180	1.0
270.01611	0.9
271.02466	0.8
273.00406	47.2
274.00797	5.3
283.02499	8.2
284.03024	0.7
287.01944	6.2
288.02756	100.0
289.03220	12.8
327.05038	0.4
341.06766	0.5
359.07718	14.4
359.18570	1.4
359.22543	0.4
360.08029	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.00592	0.4
59.01379	17.0
67.01900	0.3
69.03459	0.5
71.01382	6.7
71.72034	0.5
72.99284	0.4
73.02943	1.4
75.00884	0.3
78.95909	0.5
81.03447	0.4
83.01392	2.0
83.05039	0.3
85.02969	3.8
87.00902	0.4
89.02465	3.7
93.03449	0.6
95.01379	0.8
95.13374	0.3
96.96993	0.6
97.02929	0.3
97.06600	0.6
97.79660	0.3
99.04523	3.7
100.78617	0.3
101.02468	3.0
106.04301	0.4
107.05045	0.9
107.08641	0.4
109.02989	0.5
111.00825	0.5
111.04492	1.0
113.02477	3.2
113.06104	0.4
119.03517	1.1
125.02460	0.5
133.06566	0.7
133.10205	0.7
134.03737	0.5
135.04539	0.9
135.08174	8.1
136.08499	0.5
149.09758	0.5
152.03545	0.7
153.09232	100.0
154.09576	5.8
161.04581	0.7
165.01991	0.4
167.10760	0.7
175.04034	1.5
177.09157	1.5
179.05690	0.6
179.07146	1.1
195.10283	0.6
197.08200	84.9
198.08546	5.7
221.08194	0.7
239.09200	2.2
243.02928	0.4
244.75311	0.4
258.01694	1.2
259.02396	1.2
271.07291	0.5
271.14401	0.5
283.02524	1.1
287.02002	0.4
297.08380	0.4
299.02011	0.4
301.03452	0.5
315.13370	0.5
359.03870	1.4
359.08337	2.2
359.13428	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	359.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89153	0.2
61.92575	0.2
78.79055	0.2
79.41876	0.2
80.27628	0.2
80.87064	0.2
88.27255	0.2
140.74330	0.2
151.00320	0.3
175.00407	0.4
182.03627	0.2
183.04538	1.0
185.02437	0.2
187.04047	0.4
193.01422	0.3
211.04008	1.3
213.01909	0.4
214.02795	0.3
215.03477	1.4
227.03534	1.0
229.01428	0.3
230.02217	1.0
231.02974	0.2
239.03493	12.2
240.03847	0.9
241.01399	2.8
242.02000	0.5
243.02913	0.3
255.03004	1.3
258.01685	13.8
259.02280	1.9
271.02359	0.4
272.03189	0.3
273.04047	0.8
277.14594	0.5
282.01746	0.5
283.02481	100.0
284.02802	10.6
287.01932	0.8
301.03613	1.0
313.07132	0.3
323.05563	0.3
341.06662	1.0
359.07733	91.3
359.27701	0.9
360.08096	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	359.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12212	0.3
68.72366	0.3
69.77898	1.0
69.78330	1.3
74.69918	0.3
82.78482	0.2
134.49883	0.3
183.04521	0.5
185.02518	0.3
188.36284	0.3
201.05559	0.6
211.03934	0.7
213.01901	0.3
215.03441	0.5
221.71375	0.3
227.03650	1.4
229.01479	0.8
229.05045	1.1
230.02220	6.3
231.02879	0.8
239.03531	2.4
241.01418	0.5
243.02989	0.7
244.03682	0.7
245.04359	0.4
255.02870	1.0
258.01682	14.0
259.02231	2.4
271.02472	0.3
272.03372	1.7
273.03986	6.2
274.04337	0.4
279.06799	0.5
282.01764	0.8
283.02469	16.2
284.02798	1.5
295.06067	0.4
297.07587	0.4
301.03540	5.5
313.07172	1.0
323.05597	6.6
324.06079	0.8
325.03528	4.8
326.03787	1.0
341.06677	17.7
342.07068	1.8
357.71130	0.3
359.07733	100.0
360.08084	10.1
360.44708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66309	0.3
58.38276	0.4
60.90122	0.3
71.71546	0.4
71.71908	0.4
109.02954	1.6
143.05019	0.8
145.02934	0.4
151.00375	1.1
155.23759	0.3
159.04521	0.7
171.04491	1.6
173.02362	0.5
187.04015	2.9
191.03502	0.8
203.03458	1.3
215.03494	5.7
216.03987	0.6
217.01439	1.1
230.02179	2.8
231.02986	4.5
241.01540	0.7
243.03004	0.4
255.02985	1.9
256.72568	0.4
258.01678	9.2
259.02454	99.3
260.02783	8.2
262.69052	0.4
273.04102	0.4
283.02417	3.6
287.01959	59.0
288.02277	4.5
300.06671	0.4
301.03503	2.6
323.05658	0.6
341.06570	1.3
349.29041	0.4
359.07730	100.0
360.03534	0.7
360.08060	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	359.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84542	0.7
59.01382	2.1
65.00336	1.3
65.37722	0.8
69.77663	5.4
92.97430	0.8
94.56020	0.9
96.67346	0.9
102.20903	0.7
104.90717	0.8
111.04523	1.5
125.02488	1.1
131.05075	1.0
151.00447	1.3
159.04486	1.0
161.02457	1.2
163.03990	1.0
174.03235	1.1
175.04039	1.1
185.02463	1.5
186.03224	2.0
187.03958	1.1
199.04039	2.6
201.01901	1.3
201.05598	2.4
213.02045	0.9
214.02635	1.3
215.03510	1.7
215.55534	0.8
217.05203	1.5
227.03485	1.7
229.01431	11.0
229.05025	3.2
230.02209	22.0
231.02808	2.5
236.04810	1.1
242.02196	2.9
243.02979	79.7
244.03691	38.7
245.04164	2.9
253.08537	1.3
255.06628	1.7
256.03708	1.1
257.04489	1.2
258.01685	29.5
259.02225	5.5
267.02948	3.5
270.01581	1.9
271.02481	17.1
272.03232	48.5
273.03992	28.0
274.04358	2.3
278.05713	1.2
279.06668	3.2
280.03830	2.3
281.04504	3.5
282.05301	1.1
283.02493	10.6
284.02945	1.5
285.04166	5.9
285.07309	1.2
287.01831	1.3
288.02698	3.7
295.06137	3.0
297.04568	1.4
297.07626	6.5
298.01318	1.4
298.04904	0.8
298.08389	0.9
299.01889	2.2
299.05420	0.9
304.02246	6.9
308.03406	0.8
311.05414	3.7
312.02866	1.0
313.07181	8.8
323.05600	31.7
324.05969	3.9
325.03552	2.4
329.06674	18.8
330.06979	1.9
341.06689	100.0
342.07028	11.2
359.07706	18.6
359.18491	5.9
360.08090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09627	0.4
54.23411	0.4
57.03448	3.1
59.01384	2.2
61.98826	1.5
62.59093	0.4
65.00320	2.5
67.01888	1.9
68.99818	3.1
70.06548	1.4
71.01394	2.2
73.02932	0.5
75.00879	3.8
81.03469	2.0
83.01395	14.4
84.01730	0.4
85.02962	1.4
89.02483	0.8
91.01929	0.6
93.03468	13.5
94.03771	0.6
96.96006	1.1
96.96973	0.4
97.06597	0.4
101.02444	1.0
101.35642	0.4
105.13247	0.5
107.01392	3.3
107.05032	0.7
109.02972	8.2
111.00917	1.2
119.05022	0.6
121.02947	2.1
123.00904	0.9
123.04530	0.8
124.01743	0.4
124.04048	3.7
125.02469	36.7
126.02814	1.8
135.00948	0.4
135.04541	2.3
137.02470	21.6
138.03201	0.8
139.04030	1.7
149.02475	4.7
151.00395	14.8
151.03937	0.6
152.01076	0.5
153.01964	100.0
154.02333	4.4
154.05121	0.8
167.03514	3.5
177.01952	2.7
178.99892	4.7
191.05652	0.6
195.02992	1.9
195.26744	0.4
197.04584	5.6
207.02895	0.6
219.06042	0.4
254.22160	0.4
257.07794	4.7
287.07681	1.0
299.07706	0.5
315.07245	8.1
341.05164	0.9
358.26501	0.4
359.06219	11.6
359.10535	5.8
360.06213	0.9
360.10068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98835	0.1
62.00030	0.1
63.02446	0.1
68.68999	0.1
69.37006	0.5
69.37428	1.1
79.47390	0.1
98.19898	0.3
102.29389	0.1
111.04543	0.4
150.03192	0.1
151.00395	0.2
152.41708	0.1
162.89363	0.9
167.05058	0.3
185.02567	0.2
195.04512	0.3
211.03990	0.3
215.03612	0.2
217.01379	0.3
223.04039	2.0
224.04385	0.2
225.01883	0.3
227.03513	0.9
228.04216	0.5
230.02193	0.2
238.02740	0.5
239.03513	0.6
242.02136	0.7
243.02985	0.6
245.00977	0.4
255.02950	1.1
256.03726	3.5
257.04056	0.2
258.01556	0.8
259.02356	0.3
266.02213	1.5
267.02966	100.0
268.03305	9.1
269.01019	0.2
270.01614	0.2
271.02502	0.7
273.00458	0.7
273.03479	0.1
283.02484	7.4
284.02982	0.9
285.04037	0.8
287.02014	0.6
288.02719	2.0
289.03223	0.3
298.01163	0.3
299.02081	1.5
300.02185	0.1
301.03424	0.4
316.02188	0.3
327.05060	1.9
327.08658	0.1
328.05222	0.2
341.06711	0.8
344.08768	0.2
359.07709	21.9
359.11267	0.8
359.18347	1.9
360.04123	0.2
360.08099	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	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13134	0.2
59.01379	76.3
60.01719	1.2
61.98835	0.7
71.02806	0.5
71.03193	0.4
72.99342	0.3
84.92661	0.2
88.48437	0.3
90.97158	0.5
118.96601	0.3
120.80522	0.3
122.08627	0.2
132.98209	2.0
156.99963	0.7
157.03548	2.0
159.01517	1.7
174.99266	20.6
175.99565	0.5
201.02562	25.9
202.02724	2.6
217.00305	100.0
217.97937	0.4
217.98326	0.4
218.00621	3.8
218.98129	0.3
239.60757	0.2
274.99432	0.2
300.64706	0.3
317.00555	0.5
327.35397	0.2
359.01483	5.7
360.01706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
64.75091	0.2
67.40720	0.2
69.37971	2.1
69.38393	0.7
71.05013	0.4
71.36229	0.2
77.77697	0.2
79.01889	0.6
95.05038	0.9
98.20586	0.5
99.08194	0.4
111.85601	0.2
121.06643	0.3
121.10236	0.6
123.04593	0.3
123.08159	0.5
123.62929	0.3
123.78823	0.2
125.06107	3.8
137.09738	3.3
138.03230	0.8
139.04013	0.5
147.11812	0.4
150.06821	0.2
151.03999	1.6
152.04810	0.4
155.46819	0.3
164.08372	0.3
165.01944	1.0
165.05614	0.3
166.02737	4.8
167.93562	0.2
175.11241	0.4
177.01912	0.4
179.03474	0.7
179.10791	3.6
180.04289	2.6
181.17204	0.2
187.14993	0.3
193.23126	0.2
204.07829	0.3
205.08607	0.4
207.06639	0.6
207.10103	0.3
217.08711	0.5
219.10280	0.7
221.08261	0.5
222.08983	4.4
223.09732	2.3
227.14439	0.3
229.16013	0.6
233.08174	0.5
235.07417	0.3
235.09755	6.5
236.10432	2.7
245.08241	0.3
255.13792	0.4
273.11642	0.3
273.14954	1.4
288.13651	0.5
299.12912	0.9
311.20181	0.5
313.14410	0.4
313.21771	6.3
314.15149	0.3
314.22015	1.0
327.16052	0.5
339.19666	0.8
357.20731	100.0
358.21066	14.3
358.25635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.6
61.98832	10.2
71.01391	5.8
71.72312	7.6
81.03452	11.5
81.21120	5.9
83.01398	45.9
84.02219	6.6
97.06602	8.9
99.92619	7.9
101.64069	5.3
111.04537	4.8
112.56409	5.5
121.02989	20.3
123.04601	4.5
123.08174	5.2
125.06107	5.1
125.09740	66.9
126.10144	5.8
135.04483	4.4
135.08231	7.9
137.06219	5.5
147.11781	8.1
154.57823	4.3
162.05235	4.8
163.11327	15.0
165.12889	9.6
171.10283	12.0
191.10829	38.3
192.11282	4.3
195.06932	5.1
199.13445	5.3
207.10339	5.9
209.11829	70.9
210.12259	5.5
210.37993	4.3
223.13481	11.5
226.12048	36.1
227.12575	4.8
239.12917	12.4
241.14452	100.0
242.01990	8.9
242.14816	6.2
243.02831	6.5
257.00711	4.7
257.04562	46.9
258.01859	6.0
258.04706	5.3
267.02994	7.1
271.02527	13.0
272.02975	7.4
287.01678	10.3
288.06204	5.9
289.18033	9.8
299.02048	7.6
303.66727	4.7
325.06284	10.5
327.05057	40.4
328.05612	5.9
339.08704	6.5
342.07541	25.4
357.06009	14.4
357.09720	72.1
357.13419	12.1
357.17047	11.9
357.20770	13.4
357.26587	41.1
358.10126	8.5
358.26932	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06341	0.3
55.01879	0.5
55.71571	0.3
57.03459	0.4
57.57054	0.3
59.01380	100.0
60.01717	1.3
61.98830	0.9
63.47838	0.3
64.42051	0.4
65.87068	0.3
70.00264	0.7
70.00677	1.1
71.01390	7.0
72.99303	0.4
73.02958	1.7
74.01033	0.3
83.01399	1.0
85.02965	3.3
87.04552	0.4
87.10928	0.3
89.02467	1.2
95.01401	0.4
99.00917	0.9
101.02457	4.2
113.02473	2.8
119.03503	0.3
125.02532	0.6
151.07637	0.5
159.03043	0.5
161.04581	3.5
196.06313	0.4
230.02313	1.4
258.01682	2.8
259.02429	1.1
273.00534	0.9
283.02585	0.7
299.01996	0.6
314.00787	1.1
315.18094	4.8
316.18652	0.5
357.06104	6.3
357.09891	0.9
357.17664	0.9
357.26480	0.7
358.06497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16092	0.2
57.03451	0.7
59.01377	1.4
62.00540	0.1
64.43877	0.2
65.00330	0.6
69.03452	0.2
71.01384	0.2
71.16701	0.2
71.20955	0.4
81.03464	4.5
83.01395	1.0
85.06608	0.5
87.04539	0.5
95.05079	0.2
107.01402	0.5
108.02165	0.2
109.02959	0.2
109.06598	2.3
111.04531	3.2
112.04874	0.2
121.06665	0.2
122.03758	1.6
123.04553	0.3
123.08157	0.3
125.02465	6.6
126.02854	0.2
127.07662	0.2
135.04572	0.2
149.02428	0.8
151.00406	1.3
151.07666	27.9
152.07986	1.5
153.05632	0.4
167.03549	0.2
177.02127	0.2
177.05614	0.9
178.05080	0.2
191.07143	0.3
195.06641	100.0
196.06979	6.7
199.04112	0.2
219.06636	0.6
231.15488	0.2
237.07596	0.8
285.04205	0.2
348.65988	0.2
357.06299	0.3
357.12003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
59.01376	0.3
65.00309	0.5
69.03444	0.1
69.73962	0.5
80.02715	0.1
81.02972	0.2
81.03464	3.7
83.01388	0.7
85.06606	0.8
87.04519	0.9
93.03476	0.1
95.05019	0.2
96.13473	0.1
97.02975	0.2
107.01395	0.5
107.05033	0.3
108.02119	0.1
109.02942	0.1
109.06605	2.3
110.00334	0.1
110.06950	0.2
111.04539	3.9
111.05313	0.2
112.04900	0.1
113.02458	0.1
114.08396	0.1
116.65606	0.1
123.08155	0.1
125.02464	4.6
126.02845	0.2
127.07650	0.5
133.06628	1.3
136.05309	0.7
137.02499	0.2
139.04041	0.1
149.02480	0.5
149.06042	0.1
151.00404	0.7
151.07669	24.8
152.01089	0.3
152.08017	1.6
153.05583	0.4
165.09230	0.3
167.03473	0.5
167.07086	0.1
177.05618	1.4
178.05788	0.1
191.07259	0.4
195.06647	100.0
196.06990	6.7
207.06636	0.3
219.06670	0.5
237.07693	3.2
238.08057	0.2
261.22479	0.1
267.08725	0.6
285.04025	0.1
286.04388	0.1
313.03656	0.1
357.11920	1.5
358.12338	0.1
379.72278	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60565	0.2
53.03700	0.2
59.01376	0.4
71.01388	1.3
71.38086	0.2
73.02956	0.3
76.02968	0.2
81.03479	0.5
83.01387	0.2
85.02956	0.7
91.01884	0.3
91.05539	1.0
99.00896	0.2
101.02449	0.6
107.05032	0.2
107.08676	4.5
108.08984	0.4
109.05875	0.3
109.06607	5.4
110.06955	0.2
113.02445	0.4
129.49498	0.2
133.06622	0.7
144.04047	0.2
150.06877	0.2
151.07664	100.0
152.07991	5.2
177.05583	7.1
178.05956	0.4
193.08725	0.3
194.05858	0.2
195.06636	3.6
196.06879	0.2
219.22276	0.2
357.11911	50.9
358.12244	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03443	1.0
59.01381	100.0
61.98836	1.0
69.88308	3.4
69.88742	3.2
70.76752	0.8
71.01386	14.1
72.99317	1.2
75.00880	1.9
83.01395	1.4
85.02966	6.9
87.00876	1.1
89.02448	7.8
91.05542	18.7
93.03490	1.4
95.01410	2.2
98.20525	1.4
99.92641	1.0
101.02460	7.1
109.02973	1.1
113.02470	14.5
113.59746	1.0
115.05569	3.1
117.03474	7.6
119.03532	5.0
125.02471	1.4
131.05051	2.8
133.06596	1.7
133.58812	0.9
135.04549	45.2
136.04909	2.5
139.04062	1.9
143.03488	1.1
145.06516	1.8
147.04584	2.0
149.02469	0.9
149.06116	5.3
151.04240	1.1
151.07661	9.7
157.01591	0.9
159.04543	35.5
160.04823	2.1
161.02419	1.7
161.04591	2.9
170.56419	0.8
175.02461	1.0
177.05577	7.1
179.03543	0.9
179.05592	1.4
180.04257	4.7
185.06615	0.9
189.05623	11.0
195.06610	7.5
201.05627	2.2
207.06616	1.1
221.04599	4.1
261.03931	2.1
269.27390	0.9
295.15485	1.1
297.09885	2.1
321.06210	3.5
327.08902	1.6
357.06735	1.3
357.11996	5.1
357.15820	1.8
357.20154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46578	0.2
59.01374	0.3
63.37165	0.2
69.81277	0.2
69.81576	1.8
71.01387	1.3
73.02950	0.6
81.03461	0.5
85.02970	0.9
91.01907	0.4
91.05540	0.9
98.69293	0.2
101.02454	0.5
107.05071	0.4
107.08681	5.6
107.09380	0.5
109.06611	6.7
110.06967	0.3
113.02493	0.6
118.83922	0.3
123.04501	0.3
133.06596	0.6
137.02493	0.5
151.07668	100.0
152.08011	6.3
177.05597	6.4
178.05972	0.4
195.06645	3.2
196.07042	0.3
357.11914	51.5
358.12228	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03444	0.3
59.01382	0.8
61.98825	0.2
62.13699	0.2
65.00319	0.7
69.46375	2.1
71.01385	0.7
75.28666	0.2
75.37146	0.2
81.03463	4.5
83.01401	0.9
85.02954	0.3
85.06608	1.2
86.15370	0.2
87.04527	0.9
93.03480	0.3
95.05045	0.5
97.02977	0.6
107.01419	0.3
109.02981	0.3
109.06606	2.6
111.04525	5.1
112.56240	0.2
113.02480	0.3
113.06106	0.5
121.02972	0.4
121.06639	0.2
124.01707	0.6
125.02467	4.0
127.07668	0.6
132.27965	0.2
133.06604	0.8
136.05331	0.8
137.02472	0.2
139.04097	0.2
149.02499	1.1
151.00397	0.8
151.07668	37.6
152.01172	0.7
152.08028	2.1
153.05630	0.4
161.06076	0.2
163.07640	0.4
164.01305	0.2
165.01935	0.3
165.05621	0.7
167.03484	0.3
171.02684	0.2
173.06133	0.2
175.00374	0.3
177.02065	0.3
177.05611	1.1
179.07208	1.0
191.07166	1.5
193.05229	0.2
194.05844	0.5
195.06647	100.0
196.06973	7.1
201.02074	0.2
201.05634	1.0
207.06656	0.8
208.07367	0.5
209.08224	2.9
219.06641	27.0
220.06975	2.2
221.08224	0.2
226.65993	0.2
233.08228	0.3
237.07689	10.2
238.08043	0.7
242.02249	0.5
249.07684	3.1
250.08072	0.3
261.03909	0.3
261.07535	0.4
267.08694	0.5
271.02762	0.3
279.08978	0.4
283.02573	0.3
297.09933	0.8
313.07443	0.3
352.52783	0.2
357.06293	1.8
357.11926	9.8
357.19226	0.7
358.06473	0.3
358.12259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01917	0.2
59.01363	0.7
61.98817	0.3
63.86591	0.2
69.17616	0.2
70.92055	0.5
70.92432	0.5
83.46318	0.3
93.03517	0.3
99.78703	0.2
109.02913	0.3
111.04519	0.3
121.02970	0.5
135.00900	0.3
135.04518	0.3
137.02464	0.4
151.07681	0.3
175.03995	0.5
178.10231	0.3
199.04013	0.9
201.01900	0.4
214.02586	0.3
215.03555	0.6
241.01419	0.2
242.02252	0.3
243.02975	18.6
244.03659	4.3
257.04541	1.9
258.01706	0.3
263.98016	0.3
269.00909	0.3
270.01727	0.3
271.02460	100.0
272.03027	19.6
272.07330	0.3
273.03555	0.9
285.03787	0.3
286.04605	0.4
287.01996	7.4
287.05536	1.3
288.02512	0.9
297.07697	0.9
299.01978	3.0
304.02258	1.8
305.02917	0.3
310.04846	0.4
313.03595	0.3
313.06985	0.6
325.07187	3.1
326.07452	0.5
342.07455	4.4
343.07834	0.6
357.09805	71.8
358.10138	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47006	0.4
55.01862	0.5
56.34816	0.4
57.03440	0.6
59.01382	5.7
69.88741	1.4
69.89156	1.3
70.54884	0.4
71.01392	4.3
73.02948	0.9
78.41415	0.5
80.61135	0.4
81.03463	1.9
83.01387	0.5
85.02952	2.6
91.01922	0.4
91.05556	0.7
93.03461	2.0
93.86450	0.4
95.01408	1.7
99.00924	0.5
99.92619	1.2
101.02458	1.7
107.05029	0.6
107.08681	3.8
108.02190	100.0
109.02979	64.1
109.06612	4.6
110.03297	2.5
111.00893	1.2
113.02461	1.1
115.92126	1.0
119.05049	0.9
121.02949	0.9
123.00903	1.9
123.04550	1.4
125.02473	0.9
129.01941	3.4
133.02994	0.6
133.06546	0.5
134.03734	0.6
135.03487	0.5
135.04541	11.3
137.02454	1.4
145.02937	0.5
147.12267	0.4
150.06891	3.7
151.04066	1.7
151.07668	74.4
152.01172	64.6
152.08003	3.3
153.01961	63.0
154.02292	2.3
161.02460	1.5
161.04520	1.0
163.03996	1.6
165.01978	1.4
176.54076	0.4
177.05576	5.7
179.03603	0.5
193.06120	0.5
195.06609	3.4
195.21292	0.4
210.97168	0.7
258.76288	0.5
276.06567	0.6
290.37521	0.4
315.07047	0.6
357.00934	2.7
357.08282	71.7
357.12064	35.8
358.08633	8.3
358.12405	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	357.0978
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
56.76470	0.3
59.01363	0.5
71.71956	0.3
83.01396	0.4
84.39722	0.3
93.03484	0.3
101.02470	0.6
103.67331	0.3
109.02214	0.3
109.02975	0.3
139.00410	0.3
145.01457	1.2
169.02824	0.4
177.01913	0.4
181.57712	0.3
185.02463	1.3
198.03296	0.3
199.03987	0.9
200.04803	0.4
211.04059	0.4
213.01941	12.8
214.02477	2.4
226.02773	0.8
227.03444	2.4
228.04230	1.2
229.04817	0.5
238.02704	3.3
239.03270	0.7
241.01477	3.5
242.02196	3.7
243.02946	1.4
254.02226	0.4
255.02975	4.7
256.03754	40.7
257.04382	7.9
258.01627	0.6
258.04865	0.5
259.02444	0.4
266.02264	0.9
266.54584	0.4
267.02939	0.9
269.00909	1.9
269.04547	1.0
270.05414	0.5
271.02679	0.7
271.06061	1.1
281.04535	3.6
282.04865	0.6
283.02472	6.0
284.03198	3.0
285.04001	0.6
296.03198	0.4
296.06635	0.4
299.02557	0.5
299.05597	13.7
300.05972	1.6
309.03845	0.5
311.05600	0.4
314.07980	6.3
315.08270	1.0
329.06622	0.7
339.08774	1.7
340.09454	0.4
342.07465	3.6
343.08102	0.4
357.06168	5.8
357.09814	100.0
358.06512	0.7
358.10147	13.6
358.17499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01382	2.8
61.98856	0.4
66.71062	0.2
69.87922	1.4
71.01389	1.3
72.99313	0.3
85.02958	1.1
95.01413	0.5
95.37593	0.2
101.02461	0.6
104.05085	0.7
106.06641	100.0
107.06974	4.5
113.02448	1.8
118.06646	2.9
120.08197	0.8
121.28663	0.2
125.02454	0.3
125.06090	0.3
130.08751	0.3
134.06081	0.4
135.04530	1.2
146.06136	1.0
150.05627	85.6
151.05969	3.7
151.07666	0.6
164.07190	13.1
165.07547	0.6
167.03491	0.5
192.06694	10.1
192.08452	0.6
193.07034	0.5
194.04593	13.2
195.04976	0.7
195.06581	0.3
197.08211	0.4
198.08702	0.6
236.05635	1.9
269.04642	0.3
296.07819	2.1
311.09106	0.3
356.09912	8.6
356.14246	0.4
356.20947	0.3
357.06128	0.3
357.10312	1.0
358.96027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22526	0.3
54.54117	0.3
59.01366	1.1
69.90736	1.0
69.91170	1.4
93.03490	0.6
97.97542	0.4
108.02193	0.5
115.05573	0.4
117.03481	0.6
121.03030	0.5
124.01700	0.4
125.02447	0.4
130.04268	1.1
132.02150	0.5
142.04301	0.9
143.05026	0.8
143.10703	0.4
144.02217	1.0
145.02975	1.3
146.03738	0.5
147.04453	0.5
155.05017	0.4
158.03769	5.5
160.01656	0.5
161.02437	2.2
169.02950	0.6
170.03792	1.9
170.05048	0.4
171.04567	0.7
172.01678	6.2
173.02202	0.6
174.03293	0.7
182.52621	0.4
183.04495	0.6
185.02414	1.9
186.03239	7.5
187.03893	0.8
189.01959	0.4
191.05609	0.8
197.02455	0.6
198.03227	2.1
199.04018	3.4
200.01170	0.8
201.01955	1.0
202.02733	0.4
210.03299	0.6
211.04045	0.5
213.01949	0.9
214.02733	23.6
215.03186	2.1
226.02663	0.5
227.03458	1.6
228.03865	0.5
229.01422	2.5
230.02171	2.7
231.02931	0.7
242.02219	100.0
243.02786	17.4
244.03316	0.9
254.02191	7.1
255.02946	10.2
256.03552	1.3
257.01035	2.0
258.01672	6.9
259.02216	1.4
269.00903	1.1
269.04288	0.6
271.02478	13.0
272.02777	1.2
273.00937	0.4
279.06638	1.1
281.04559	1.7
282.01712	2.3
283.02362	1.0
286.01230	1.2
287.02084	3.0
295.22678	0.4
299.01984	20.1
300.02316	2.2
307.06128	2.1
313.07199	0.8
314.07687	0.6
324.06442	0.5
325.07059	0.5
339.08731	2.6
342.07452	11.7
343.07730	0.9
357.06097	27.1
357.09900	18.7
357.16867	0.8
357.22574	1.7
358.06259	4.0
358.10168	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	355.195
Annotation	Lehualide I
Peak:m/z	Relative Intensity
55.41483	0.2
57.24796	0.2
59.01372	0.8
61.73897	0.2
61.98825	0.4
64.83568	0.2
69.62847	0.8
69.63273	1.0
73.19236	0.2
79.66338	0.2
85.02972	0.9
87.02763	0.2
93.23785	0.2
94.01371	0.2
95.88224	0.2
105.76685	0.3
111.04568	0.2
123.08220	0.2
125.92637	0.2
133.02991	0.4
135.04541	0.6
173.04585	0.3
183.01228	0.5
191.05589	0.6
193.06216	0.4
209.03084	0.3
209.31300	0.2
221.08273	0.4
235.15248	5.8
236.15630	0.4
267.17865	100.0
268.18192	10.7
297.30469	0.2
340.05969	0.5
355.19476	38.5
356.19788	5.1
361.20200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.195
Annotation	Lehualide I
Peak:m/z	Relative Intensity
58.97387	0.3
59.01394	1.9
59.01625	0.3
59.02523	0.3
61.98810	0.8
64.82300	0.4
67.17770	0.4
73.28664	0.3
75.45670	0.3
85.02960	1.1
89.04321	0.6
90.58917	0.3
104.87027	0.4
109.02977	0.4
121.02978	1.3
128.30840	0.4
136.25838	0.3
165.88626	0.3
191.01927	0.4
191.05679	0.5
193.06160	0.5
209.03049	0.6
215.78897	0.4
229.44685	0.4
265.16251	0.5
267.17871	100.0
268.18192	9.4
355.19492	37.2
356.08786	0.4
356.19846	4.5
376.73590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1031
Annotation	Platanetin
Peak:m/z	Relative Intensity
51.06013	0.4
51.19503	0.4
59.01389	2.5
61.58431	0.5
61.98844	0.8
63.83741	0.4
65.29534	0.4
68.28822	0.5
71.01385	0.5
79.01890	0.4
85.02959	3.0
87.00893	0.9
93.03468	1.6
98.20682	0.7
107.05047	1.7
108.32373	0.4
110.60442	0.5
111.04519	1.0
125.06077	2.2
127.04081	1.1
134.03734	1.0
135.04550	9.0
136.04893	0.5
151.00385	1.3
157.08725	1.8
161.02483	1.5
165.05627	0.5
173.04585	1.2
179.03539	7.6
180.03854	0.7
180.07933	0.8
183.01270	1.8
187.04124	0.4
191.05630	53.9
192.05981	2.5
208.07483	1.6
211.03969	0.9
212.06908	1.2
226.02638	0.5
227.03453	0.7
241.05067	0.8
255.02980	16.4
256.03406	1.3
267.02972	18.7
268.03387	2.6
269.04514	4.7
270.05368	3.0
277.14484	7.4
277.98456	0.5
278.14868	0.6
280.03625	0.4
281.04553	2.1
295.06161	1.8
298.04764	2.3
302.04306	4.5
309.07663	0.7
310.08475	10.9
311.08759	1.5
325.10809	7.5
326.11243	1.4
330.03799	4.9
335.09470	0.7
353.10333	100.0
353.17679	2.9
354.10687	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	353.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03440	0.9
58.00592	1.3
59.01382	16.0
65.03960	0.6
67.01897	0.5
68.55470	0.5
69.03461	1.0
69.67691	3.0
70.35765	0.5
71.01392	16.0
72.99326	1.0
73.02954	19.1
77.21036	0.5
81.03466	1.9
83.05033	6.6
85.02964	5.1
87.00887	1.3
89.02461	21.1
90.02784	0.6
93.03472	46.0
94.03790	1.6
95.01462	0.6
98.19897	1.1
99.00902	6.4
99.04527	5.2
101.02458	6.1
109.02988	0.8
111.04535	20.1
113.02453	5.8
116.62455	0.5
119.03559	2.4
119.47196	0.5
129.01987	2.2
131.03546	1.2
137.02470	13.9
143.03551	5.3
149.04573	0.6
155.03532	10.1
161.04591	1.8
173.04581	100.0
174.04926	4.6
179.05621	8.1
191.05603	0.8
228.08263	0.5
244.42175	0.5
274.10703	0.6
304.38675	0.5
353.10974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
59.01379	5.5
61.98845	1.4
68.99824	1.6
71.01402	2.2
71.05028	12.1
71.71814	1.1
73.02972	2.4
81.03471	1.7
83.05037	9.5
85.02958	8.8
85.06636	0.9
86.58653	0.7
87.00910	2.0
87.04517	0.8
93.03475	3.6
95.05055	0.8
97.02946	0.8
97.06602	13.2
99.04526	7.2
99.08168	21.6
100.08502	0.9
101.06097	18.2
101.06744	1.3
102.06483	1.0
107.05044	1.6
109.02985	1.8
109.06634	2.5
111.04540	2.0
111.08202	2.2
113.02503	0.7
113.05434	0.7
113.06087	4.0
113.09756	0.7
114.43533	0.9
121.06620	7.5
121.10236	0.9
122.03763	0.9
123.04542	1.1
125.06110	50.8
126.06461	2.3
127.04028	2.8
127.07671	2.8
133.02946	0.8
134.03793	2.0
135.03613	1.2
135.04562	18.2
135.08177	1.9
136.04994	1.1
137.02473	1.6
137.06154	3.8
137.07001	0.7
137.09743	2.4
139.07680	6.0
139.11316	1.2
151.07607	1.4
153.05620	9.3
153.09236	2.3
155.07220	3.9
155.10800	22.9
156.11192	0.9
161.02463	2.3
161.60814	0.7
163.07689	2.2
163.11308	1.2
165.05588	5.0
165.09244	7.4
169.12462	0.7
171.03069	1.1
173.04541	1.8
177.09187	1.3
179.03532	15.6
180.03815	1.0
181.08795	1.1
181.12378	12.4
183.10306	7.0
190.06418	0.8
191.05640	100.0
191.10751	6.1
192.05975	5.4
192.07588	1.0
193.08722	3.2
194.09296	1.3
195.10294	2.1
207.10278	4.9
207.13911	0.8
209.08234	7.5
209.11873	0.8
211.09775	1.1
219.13957	5.5
221.11967	1.2
221.15491	2.4
224.06932	2.2
235.13434	1.9
237.14911	1.2
238.08549	1.6
247.13391	9.6
247.17082	3.0
249.14917	0.8
263.16498	1.7
265.14429	12.5
266.14722	1.6
279.02820	0.8
291.12366	2.2
291.15991	10.2
292.16406	0.9
294.05151	0.8
309.17084	42.3
310.17493	5.2
335.14917	7.4
336.15131	1.1
353.09479	5.2
353.16013	30.0
353.19241	1.2
354.16501	3.6
361.47446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.77570	2.7
79.49490	0.4
93.03527	0.5
104.35792	0.4
135.04578	2.0
147.24684	0.4
150.32278	0.5
179.03568	1.6
191.05630	13.5
237.53754	0.5
316.62384	0.5
318.51556	0.4
350.39658	0.4
353.08948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.66191	0.3
59.01380	0.4
71.01388	0.5
71.04582	0.4
71.04913	0.5
85.02956	4.8
85.03451	0.5
87.00892	0.6
93.03481	2.3
107.05028	0.9
109.02971	0.6
111.04536	1.3
127.04031	1.2
133.02940	0.8
134.03767	3.7
135.04546	41.9
136.04863	2.2
155.03516	1.3
158.02824	0.3
161.02458	3.6
162.02713	0.3
171.02986	0.3
173.04559	2.6
179.03517	58.9
180.03857	3.3
191.05626	100.0
192.05984	4.6
353.08792	21.9
353.12186	0.4
354.09171	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01372	0.5
60.53831	0.2
65.86504	0.2
70.08200	0.2
70.08607	0.6
71.01380	0.3
81.03452	0.2
85.02961	3.7
87.00871	0.9
93.03465	1.1
96.30221	0.1
99.04501	0.2
100.31612	0.2
109.03004	0.4
111.04540	0.5
111.37589	0.2
127.04048	1.3
130.62140	0.2
133.02954	0.5
135.04552	0.3
161.02475	1.9
171.03052	0.2
173.04562	0.7
179.03477	0.7
191.05627	100.0
192.05972	4.1
192.07704	0.3
236.15349	0.2
353.08780	3.2
354.09116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19179	0.2
57.03451	3.9
59.01379	1.3
61.98821	0.4
67.01859	0.2
68.99812	0.7
69.03442	0.2
71.01379	0.4
71.05022	0.9
71.72379	0.3
72.05321	0.2
79.01899	0.5
80.02676	0.3
81.03466	0.2
83.01357	0.2
83.05025	0.3
85.02962	1.7
85.06602	1.0
85.07024	0.2
87.00870	0.4
87.04527	0.2
93.03468	0.9
95.01416	0.4
95.05048	1.9
96.96026	0.2
97.02942	0.4
99.04543	0.2
99.08160	0.2
105.03490	0.5
107.05051	0.4
109.02966	0.8
109.06569	0.5
111.00911	0.3
111.04538	14.2
111.08176	0.6
112.04867	0.5
113.02435	0.2
113.06110	0.2
121.02957	0.3
121.06618	1.2
123.00921	0.8
123.04552	0.2
123.08184	0.6
124.01669	0.5
125.06097	0.7
125.09736	0.7
127.07637	0.2
133.02972	2.5
133.06598	0.4
135.04541	1.2
135.08144	0.3
136.98790	0.2
137.02423	0.4
137.06096	1.3
137.09737	0.3
138.03247	0.2
139.04057	0.9
139.07671	3.7
141.09279	0.2
143.07089	0.4
147.08104	0.2
147.27657	0.2
149.06105	1.9
149.09702	0.8
150.06882	2.4
151.00391	1.5
151.04028	3.2
151.07639	0.7
152.04759	0.3
153.09213	0.3
161.09715	0.5
163.07657	0.9
163.11346	0.4
164.08438	2.1
165.05556	1.2
165.08859	0.2
166.06366	1.2
173.04572	0.7
177.01965	1.0
178.06371	0.2
179.03487	1.2
179.07059	0.2
179.10812	0.3
180.04091	0.3
181.05038	0.3
185.55856	0.2
191.05682	0.9
191.10760	0.6
193.05107	0.8
193.12363	0.4
194.05870	6.0
195.06319	0.4
198.05356	3.6
199.05698	0.2
201.12880	1.7
203.10721	0.2
207.06708	0.2
213.12784	0.2
215.05597	0.7
217.12305	0.3
219.13933	1.2
229.15958	0.5
231.13902	0.7
235.13316	0.6
237.14803	0.2
249.14980	0.7
253.15926	0.4
261.18393	0.2
262.18726	0.2
263.12692	0.3
271.17047	1.9
275.12851	0.8
281.13971	1.0
289.18097	6.6
290.18439	0.7
293.13812	0.2
307.19058	1.3
333.17059	3.7
334.17374	0.4
351.18130	100.0
352.18469	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	351.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	0.3
57.03450	5.3
59.01387	2.3
61.98834	0.5
67.01916	0.3
68.99810	0.5
69.03451	0.4
70.28194	0.7
71.01377	0.4
71.05038	1.4
71.46700	0.2
71.79084	0.3
73.02950	0.3
80.02677	0.3
81.03457	0.4
83.05011	0.4
85.02950	2.2
85.06592	0.9
87.00928	0.3
87.04501	0.6
93.02950	0.3
93.03436	1.3
95.01400	0.9
95.05045	2.7
96.96040	0.3
97.02944	0.2
97.06607	0.4
99.04529	0.4
99.08149	0.4
105.03465	0.6
107.05026	0.8
107.18801	0.3
109.02959	0.9
109.06602	0.9
111.00901	0.3
111.04538	13.3
111.08168	0.7
112.04865	0.6
119.76547	0.3
121.02979	0.6
121.06610	2.1
122.03783	0.3
123.00898	1.1
123.08147	0.7
125.06084	0.8
125.09763	1.3
126.86118	0.3
133.02985	3.3
135.04544	2.0
135.08154	0.4
137.02473	0.3
137.06088	2.7
138.03238	0.3
139.04016	0.9
139.07678	5.6
140.08002	0.5
143.07176	0.7
145.06639	0.3
147.08171	0.6
149.06100	3.1
149.09723	1.4
150.03282	0.2
150.06882	3.0
151.00429	1.3
151.04036	2.6
151.07629	1.3
151.11284	0.3
152.04645	0.3
157.08725	0.3
158.07344	0.3
161.09737	0.5
163.07668	1.1
163.11337	0.5
164.08438	3.6
164.70760	0.2
165.05588	1.6
165.08969	0.2
166.06409	1.5
173.04559	1.0
177.01964	1.3
177.09196	0.3
178.06329	0.3
179.03534	1.1
179.06990	0.3
181.05011	0.3
185.05991	0.3
191.05602	0.9
191.10806	1.0
193.05048	0.9
193.12354	0.5
194.05846	4.4
195.06445	0.4
198.05374	3.8
201.12822	2.4
202.13219	0.4
203.10675	0.4
207.06638	0.3
211.13263	0.3
213.12953	0.6
215.05612	0.7
219.13921	2.0
229.16072	0.6
231.13878	0.7
235.13374	1.5
237.15038	0.4
249.15059	1.2
253.16051	0.4
263.12958	0.6
268.29031	0.3
271.17010	2.4
275.12982	0.9
281.13959	1.1
289.18094	9.7
290.18448	1.2
307.19128	1.2
333.17105	4.5
351.18124	100.0
352.18491	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	351.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78731	0.4
57.03437	0.4
58.25924	0.4
59.01387	2.5
61.98852	0.6
65.00317	0.8
66.45397	0.4
67.01845	0.4
68.99818	0.5
71.01429	0.4
71.71922	0.4
71.72316	0.6
85.02955	0.4
87.00922	0.4
93.03462	1.8
95.05025	0.5
101.03988	2.0
105.03485	0.5
109.02979	0.6
110.44556	0.3
111.04521	0.7
117.03506	2.4
121.02972	1.3
125.06136	1.1
129.03464	0.8
131.05035	0.5
132.05884	0.6
133.02975	3.8
135.04529	0.6
145.02972	33.3
146.03299	2.1
147.04474	0.4
149.02446	0.9
149.06097	0.4
156.47058	0.4
158.03748	3.3
159.04459	0.5
173.02422	1.0
173.04579	1.3
177.01872	1.2
181.05197	0.4
186.03233	16.9
187.03537	0.9
190.02626	0.5
191.05676	1.5
195.08228	0.6
199.04019	4.1
204.05888	0.6
213.05577	2.9
214.02725	20.0
215.03162	1.5
215.05554	1.0
218.02220	13.8
219.02536	1.0
223.07748	0.6
225.05556	3.3
227.03519	2.7
232.03798	0.5
237.09154	0.7
239.07149	26.4
240.07385	2.5
249.05632	0.5
249.88058	0.4
253.08693	5.7
254.09471	16.4
254.12125	0.9
255.09818	0.9
267.06638	11.7
268.07047	1.4
281.08319	2.1
282.08972	23.8
283.09378	2.3
286.08459	0.7
307.15656	0.8
351.16000	100.0
352.16327	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01706	1.2
61.98833	7.8
62.88894	0.3
68.72124	0.3
70.61826	1.1
79.46922	0.3
85.02970	0.3
87.44528	0.2
92.91516	0.2
93.03496	1.0
96.96052	0.2
105.03510	0.4
109.02986	0.3
111.04543	0.3
123.29971	0.3
126.53389	0.2
128.99318	0.3
133.02960	2.8
135.04601	0.8
164.71677	0.3
173.04601	0.8
177.01923	1.3
178.02513	0.3
191.05710	1.0
194.41304	0.2
215.05658	0.8
351.07367	0.7
351.14566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06077	1.1
56.22311	1.2
57.03456	7.6
58.02541	1.2
59.01380	15.5
61.98829	7.7
64.49598	1.3
67.01893	2.1
69.03461	8.0
71.01379	1.0
71.05023	20.5
80.02670	8.2
81.03467	7.7
83.01395	3.9
83.05016	4.0
85.02955	5.1
85.04790	1.2
85.06590	2.1
87.00903	2.7
93.03482	7.2
95.01388	2.1
95.05037	6.3
97.02960	23.1
97.06537	1.6
99.04510	2.0
99.08173	100.0
100.08476	3.4
101.06093	10.0
104.94409	1.0
105.03467	4.0
107.05039	3.4
108.02191	1.3
109.02984	3.0
109.06594	6.7
111.04519	4.7
111.08161	1.8
113.06090	4.9
121.02946	2.1
121.06594	1.6
122.03728	1.4
123.00848	1.8
123.04544	2.8
123.08195	1.2
124.01685	12.7
125.02512	1.3
125.06097	14.2
125.09747	2.5
127.07679	1.3
128.08824	1.1
133.02979	21.5
134.03252	1.4
134.34628	1.1
135.04515	5.3
135.08180	7.2
136.05241	1.4
137.02475	4.7
137.09746	5.9
138.03300	2.2
148.05423	1.1
151.00400	2.1
151.04010	1.9
151.11293	1.3
153.05579	3.7
153.09207	2.2
153.12860	4.0
161.09409	1.2
163.07646	3.6
163.11325	13.1
166.06238	1.4
173.04573	4.8
177.01991	8.8
179.03404	1.6
179.10783	2.6
181.05185	7.8
181.08736	71.9
181.12218	2.6
182.09067	4.1
187.11198	1.8
191.05647	7.0
193.12369	1.4
195.06615	2.5
205.12354	15.3
207.10295	19.2
208.10648	2.9
215.05612	3.8
223.13393	3.4
245.19115	2.2
271.06253	1.1
289.18079	13.0
290.18518	1.5
307.15570	1.7
307.19150	34.2
308.19534	4.0
337.56577	1.2
351.01639	2.3
351.07462	4.0
351.14413	9.2
351.18085	56.1
351.21149	2.8
352.18451	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	351.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04992	0.8
53.97017	0.9
58.81399	0.9
59.01377	1.7
60.99310	2.6
67.01894	7.2
69.03474	1.2
69.61667	1.9
69.62071	7.8
71.01392	2.7
73.02927	2.0
77.03957	1.9
81.03457	1.8
83.05029	1.0
85.02975	6.1
87.00880	12.6
88.46873	1.1
89.03965	1.0
89.40166	0.9
91.05568	2.0
93.03471	50.2
94.03780	1.7
95.05033	4.3
99.00896	1.2
105.03484	15.8
107.05057	5.0
109.02965	17.7
111.04545	10.2
117.03482	1.9
123.04575	5.7
125.02380	1.0
132.02214	1.2
133.02980	100.0
134.03275	4.7
135.04549	30.9
135.99811	1.1
137.02446	2.3
149.02463	2.5
150.03215	5.1
151.03975	1.7
155.03502	3.4
161.02443	3.0
171.02948	1.5
173.04576	51.8
174.04898	2.1
177.01945	39.8
178.02333	2.9
179.03510	11.9
191.05632	64.2
192.05989	2.9
195.03000	1.1
215.05632	49.1
216.05942	3.1
260.64908	0.9
274.27658	1.0
307.08136	6.5
351.07242	30.4
352.07477	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
58.00595	0.5
59.01381	13.5
61.98834	96.9
67.01885	1.1
67.02267	0.4
68.99818	0.7
69.03461	0.6
69.36095	2.6
69.36522	3.3
71.01389	12.1
72.99310	3.3
73.02959	1.5
75.00882	14.4
83.01405	0.7
83.59991	0.5
85.02961	17.2
85.06601	0.8
86.03284	0.6
87.00370	0.9
87.00886	8.5
88.99503	0.5
89.02435	3.0
93.03494	3.3
95.01415	3.0
98.19878	0.8
99.00905	8.9
101.06097	100.0
102.06435	3.0
103.00400	1.6
105.03486	1.8
109.02957	0.9
111.04519	0.6
113.02468	21.1
114.02786	0.9
115.00388	1.4
117.01948	2.4
129.01964	1.3
133.02977	7.7
134.03362	0.7
135.04535	1.7
155.03770	0.6
168.79785	0.5
173.04599	2.7
175.02507	2.2
177.01924	3.1
179.03485	1.3
185.42873	0.4
189.03963	0.5
191.05635	9.4
205.07236	0.8
215.05548	0.8
223.08031	0.5
231.05058	2.2
237.81732	0.5
249.03702	1.1
249.06146	14.0
250.06474	1.1
265.05261	1.2
267.07028	1.9
291.10873	1.0
333.11890	2.4
334.11728	0.5
339.05084	1.4
351.12970	72.6
352.13376	9.4
352.22623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
65.00319	0.5
68.99800	0.5
71.05002	1.0
80.01766	0.3
90.85979	0.3
93.03475	1.0
97.02999	0.4
101.03974	2.2
117.03492	2.3
119.05059	0.4
121.02983	1.3
129.03470	0.8
131.05009	0.7
132.81136	0.4
133.02945	1.3
141.13371	0.4
145.02974	34.2
146.03305	2.4
147.04535	0.6
149.02382	0.5
149.06139	0.6
158.03761	2.7
159.04509	0.4
163.03903	0.4
173.02390	1.8
179.03488	0.5
186.03241	18.3
187.03624	1.3
189.01968	0.8
195.08141	0.5
199.04021	3.9
204.05894	0.7
213.05550	2.3
214.02724	19.4
215.03131	2.0
218.02208	11.3
219.02640	0.6
225.05537	2.7
227.03488	3.2
237.09193	1.1
239.07140	26.5
240.07465	2.4
241.05103	0.5
253.08673	5.5
254.09470	15.8
255.09904	1.5
267.06607	12.3
268.06934	1.4
274.44690	0.4
281.08044	2.0
282.08966	25.6
283.09348	2.9
286.08563	0.4
287.45950	0.3
307.15479	0.9
351.16010	100.0
352.16351	15.1
359.19153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0182
Annotation	Bisphenol A bis(chloroformate)
Peak:m/z	Relative Intensity
53.76614	0.3
58.51392	0.3
63.02394	1.7
65.00323	4.1
66.11535	0.3
70.21680	1.1
76.97044	0.6
77.05555	0.2
77.86086	0.3
79.95718	1.8
83.01394	3.3
87.00858	0.3
91.61314	0.2
93.03482	1.3
95.01390	0.7
107.01407	8.3
119.05045	13.1
120.05393	0.5
120.96112	0.4
120.99337	0.7
123.00893	0.4
124.01662	1.8
125.02452	0.7
133.03015	0.6
140.01146	0.3
143.05003	0.4
145.02956	0.6
151.00392	33.9
152.00749	1.2
157.06650	0.3
161.06061	0.5
165.01967	1.4
166.99808	0.4
169.01399	0.7
175.97954	0.4
177.01981	1.9
185.06094	1.0
187.03992	0.7
199.04054	0.5
203.97360	9.0
204.97983	0.8
217.19600	0.3
218.96056	5.9
219.96864	0.5
225.05684	0.3
226.51965	0.3
227.07108	1.2
229.05064	0.8
230.96059	10.9
231.96643	1.4
241.05080	1.5
256.97748	0.5
265.71332	0.2
269.04550	2.1
271.06122	11.6
272.06427	0.8
351.01807	100.0
352.02121	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0183
Annotation	Bisphenol A bis(chloroformate)
Peak:m/z	Relative Intensity
58.71992	0.2
59.01373	0.7
61.98821	0.3
63.02409	1.0
65.00330	4.1
71.30179	0.6
77.28311	0.2
77.89050	0.3
79.95755	0.6
83.01391	3.4
83.05693	0.3
85.02956	0.3
93.03487	2.1
95.01416	0.4
96.36301	0.3
105.03465	0.5
107.01410	7.9
109.02979	0.4
111.04549	0.4
117.03473	0.4
119.05042	21.1
120.05394	1.2
120.99351	1.2
121.02994	0.5
124.01679	1.0
125.02444	1.2
125.60636	0.3
133.02969	3.8
134.03763	1.2
135.04550	6.4
137.02475	1.3
139.04062	0.6
143.05064	1.1
145.03009	1.0
150.03160	0.4
151.00391	38.6
151.04021	0.7
152.00710	1.5
157.06584	0.4
161.06154	0.6
165.01941	2.6
169.01465	0.7
173.04573	1.5
177.01958	2.3
177.09138	0.3
178.02722	1.3
179.03552	1.1
185.06078	2.3
187.04089	1.7
188.71988	0.3
191.05644	1.2
199.04008	1.5
201.05481	0.3
203.97333	3.2
204.98013	0.5
215.05482	0.5
218.96060	2.8
225.05690	0.5
227.07112	2.0
229.04984	0.3
230.96036	6.1
231.96634	0.6
241.05075	5.4
242.05388	0.5
269.04535	4.2
270.04950	0.4
271.06116	16.9
272.06461	1.2
285.04297	0.6
307.08173	0.3
351.01807	100.0
351.18100	1.4
352.02136	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	351.0183
Annotation	Bisphenol A bis(chloroformate)
Peak:m/z	Relative Intensity
55.07325	0.4
58.81239	0.4
65.00329	5.0
69.75211	1.4
69.75636	1.9
83.01382	2.3
93.03519	0.5
94.63397	0.4
107.01408	12.7
119.05039	4.3
120.99352	1.3
136.12373	0.5
151.00395	74.9
152.00728	2.9
169.01399	0.7
177.01930	1.1
187.04193	0.5
199.03996	0.7
203.17308	0.5
203.97353	1.3
218.96075	1.3
229.05060	1.6
230.96048	37.0
231.96455	2.1
241.05051	1.2
269.04483	0.9
271.06134	5.9
272.06549	0.5
291.34885	0.4
309.00836	0.7
325.70273	0.5
351.01816	100.0
352.02151	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	350.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70847	0.3
57.03435	0.6
59.01382	5.0
61.98833	100.0
66.41087	0.4
67.01896	0.8
69.03494	0.5
69.65715	1.3
69.66145	1.5
71.01392	3.1
72.01773	0.4
72.99311	0.4
73.02950	0.8
75.00887	0.7
85.02963	1.5
86.03337	0.4
87.00905	1.3
89.02464	0.9
93.03468	4.4
93.04024	0.6
95.05062	0.5
99.00894	0.6
101.02458	3.0
101.06105	1.2
105.03471	2.2
109.02998	0.9
111.04545	1.0
113.02467	1.3
116.92879	0.7
123.04539	0.5
131.99475	0.4
132.02206	0.8
133.02977	22.8
135.04532	2.0
137.02510	0.5
139.04103	0.4
149.02496	0.6
151.00388	0.5
151.04062	0.5
155.03598	0.5
161.04646	0.7
162.04948	0.3
170.09254	0.4
173.04575	5.7
176.04045	0.4
177.01967	5.1
179.03543	1.0
184.85349	0.4
191.05635	3.9
215.05646	2.3
241.97545	0.5
263.09747	0.4
307.08356	0.7
328.69492	0.4
349.18857	0.5
350.10153	0.6
350.15262	2.4
350.19208	1.6
350.60284	0.4
351.03055	0.5
351.07300	2.9
351.12845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2023
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
55.01866	0.3
57.03448	7.4
59.01379	1.9
61.98834	0.3
68.99817	0.2
69.03460	0.7
71.01387	1.4
71.05034	0.4
71.72531	0.3
73.02950	0.3
78.98310	0.2
81.03451	0.4
83.05026	0.6
85.02959	47.2
85.06595	26.3
86.03295	1.2
86.06927	0.8
87.00890	0.8
87.04521	4.9
95.01411	1.2
95.05015	0.4
97.03011	0.3
97.06574	0.3
98.03739	0.3
99.08178	0.9
109.02979	0.7
109.06600	0.3
111.00912	0.4
111.04533	4.9
111.08177	1.5
113.06101	15.6
114.06450	0.4
119.08724	0.3
121.02961	0.4
122.03752	0.5
123.00904	1.3
123.04549	0.6
123.08192	1.3
124.01688	0.3
125.02467	0.5
125.06067	0.3
125.09751	0.3
127.07677	3.2
135.04507	0.6
135.08194	0.4
136.05325	1.4
137.02469	1.3
137.06099	3.5
137.09746	0.9
138.03252	0.7
138.06471	0.2
139.04036	3.0
139.07629	0.6
139.11288	0.3
141.09213	0.5
144.35008	0.2
147.08218	0.4
147.11798	0.3
149.02473	0.8
149.09738	1.0
151.04030	0.3
151.07706	0.3
151.11305	0.5
151.20999	0.2
153.02028	0.2
155.07158	39.2
156.07507	1.8
161.09706	0.2
163.07600	0.3
165.01903	1.2
165.05569	0.3
165.09209	0.6
166.06346	0.3
167.03546	0.6
170.02225	0.6
177.05612	0.9
178.06340	0.4
179.07161	0.5
181.05051	0.4
181.08754	0.4
184.10680	0.2
189.12923	1.2
191.07152	5.4
191.10696	0.3
192.07889	2.9
193.05080	0.9
193.08667	0.6
193.10771	0.3
193.12276	1.3
194.05846	0.8
198.05453	0.2
200.63866	0.2
201.12839	0.3
205.08731	0.9
206.09486	5.7
207.06657	2.5
209.15508	0.9
211.13388	0.7
217.12370	2.0
217.15878	0.6
219.13855	0.4
220.26999	0.3
235.13368	0.6
237.07623	0.3
237.14993	1.6
241.12508	0.2
243.13959	0.4
245.11813	0.4
251.09251	0.3
260.14215	0.2
260.97733	0.2
261.14914	7.3
262.15372	0.6
263.12866	3.6
264.13101	0.3
265.14273	0.3
279.12985	0.2
279.16132	1.2
279.19638	1.0
287.20163	0.7
289.10825	9.1
293.17560	0.6
305.17584	0.3
305.20990	0.3
306.14728	0.5
307.11850	2.4
307.18988	0.2
313.18219	1.2
317.13870	0.3
331.19144	46.5
332.19501	5.2
333.17059	3.6
349.16641	7.1
349.20215	100.0
350.13547	1.4
350.17212	1.8
350.20688	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	349.2021
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
52.43879	0.2
54.86064	0.2
57.03448	6.3
59.01381	1.3
65.78634	0.2
68.99826	0.2
69.03448	0.8
69.75236	1.3
71.01392	1.0
71.05030	0.4
73.02951	0.2
73.50157	0.1
79.01929	0.3
81.03452	0.3
83.05047	0.4
85.02961	46.7
85.06596	27.2
86.03291	0.9
86.06939	0.6
87.00896	0.9
87.04525	5.6
88.62366	0.1
93.03452	0.2
95.01384	1.0
95.05048	0.7
97.02962	0.3
97.06625	0.2
98.03729	0.2
99.08168	1.3
107.08721	0.2
109.02968	0.6
109.06564	0.4
111.00909	0.4
111.03792	0.4
111.04536	4.7
111.08191	1.6
113.02456	0.2
113.06103	14.8
114.06456	0.5
119.08701	0.3
121.02971	0.4
121.06602	0.3
122.03787	0.8
123.00890	0.6
123.04541	0.7
123.08185	0.9
124.01701	0.2
125.02456	0.5
125.06112	0.4
125.09728	0.3
127.07675	3.6
131.97549	0.2
135.04529	0.8
135.08150	0.2
136.05339	1.2
137.02507	0.2
137.06119	3.9
137.09755	1.3
138.06476	0.3
139.04041	2.4
139.07683	0.4
141.09196	0.8
147.08220	0.3
147.11903	0.2
149.02464	0.8
149.09752	0.5
151.00459	0.2
151.04094	0.3
151.07697	0.2
151.11322	0.5
153.01967	0.4
155.07164	37.8
155.30585	0.2
156.07483	1.9
162.10533	0.2
163.04042	0.3
163.07661	0.3
163.11337	0.2
164.04724	0.2
164.08469	0.2
165.01947	1.7
165.05559	0.3
165.09196	0.4
166.06284	0.2
167.03516	0.5
175.11314	0.2
177.05630	0.9
177.09161	0.2
178.06352	0.4
179.03598	0.3
179.07138	0.5
181.05031	0.5
181.08717	0.4
189.09195	0.2
189.12914	1.0
191.07169	5.0
191.10728	0.2
191.14386	0.3
192.07939	2.6
193.05086	0.7
193.08603	0.6
193.12332	1.5
194.05847	0.6
195.06766	0.3
205.08698	0.9
206.09496	6.1
207.06653	1.9
207.09911	0.4
209.15497	0.8
211.13416	0.4
217.12347	1.6
217.15936	0.8
219.13837	0.3
233.11823	0.3
235.13350	0.2
237.07802	0.4
237.14990	1.6
243.13789	0.8
245.11900	0.3
248.06931	0.7
261.12076	0.4
261.14941	7.6
262.15283	0.6
263.12888	2.9
264.13245	0.3
277.14496	0.2
279.16061	1.2
279.19626	1.1
287.20325	0.3
289.10809	9.0
292.13165	0.3
293.17487	0.3
305.14084	0.3
305.21191	0.3
306.14627	0.5
307.11816	2.5
307.19260	0.3
313.18008	1.1
321.20743	0.2
331.19150	44.5
332.13123	0.3
332.19501	5.8
333.17029	2.9
335.14987	0.3
349.20206	100.0
350.06870	0.2
350.14236	2.3
350.17612	1.1
350.20657	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	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.37355	0.4
55.01867	0.9
57.03419	0.8
58.00566	1.4
59.01380	29.4
61.98832	3.5
68.99786	0.4
70.70458	1.0
70.70848	0.8
71.01388	18.0
72.99312	1.9
73.02923	1.1
75.00816	0.4
77.44100	0.4
83.01358	1.4
85.02583	0.3
85.02958	3.5
87.00857	1.4
87.59621	0.3
89.02451	12.7
95.01395	1.0
96.95992	0.4
99.00866	0.8
101.02457	12.3
111.04549	2.9
113.02478	6.0
119.03525	5.1
125.02415	0.4
125.06096	0.7
139.07639	1.6
139.11293	0.5
141.12875	26.3
142.13228	2.0
155.14442	0.6
169.03767	0.4
169.04991	2.1
169.12346	4.7
170.12630	0.4
171.13913	1.6
179.05640	0.5
183.13902	2.5
187.13406	52.2
188.13782	3.3
195.06609	0.9
210.02202	0.4
216.63808	0.4
229.14473	1.6
264.23740	0.4
271.76270	0.4
307.15298	0.6
336.59180	0.5
349.18771	100.0
350.19107	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	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37726	0.3
53.19691	0.3
53.36304	0.3
55.01885	1.7
57.03442	0.7
57.17700	0.3
58.00589	0.4
59.01093	0.6
59.01383	11.3
69.03469	0.3
69.62948	1.4
69.63381	1.1
71.01389	11.8
72.01733	0.4
72.99309	1.0
73.02948	2.5
73.72796	0.3
83.01399	2.3
85.02959	4.7
87.00884	1.2
89.02459	0.9
95.01392	0.5
97.02934	0.3
98.19926	0.7
99.00890	1.3
101.02454	5.0
102.02802	0.3
111.00861	0.8
113.02480	2.5
124.01681	0.5
125.02451	0.7
129.01945	0.4
139.11290	0.4
141.12875	6.2
142.13171	0.3
151.00394	0.8
169.12357	0.9
176.65143	0.3
178.99956	0.5
187.13417	33.9
188.13766	2.0
199.04005	0.4
199.13353	0.3
201.14908	0.4
229.14436	0.5
263.99756	0.3
271.02457	0.7
299.01779	0.6
300.02765	0.7
313.10806	0.3
331.04752	0.8
331.17615	3.3
349.18692	100.0
350.19031	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	349.1659
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
51.01939	0.4
52.38199	0.4
53.48570	0.3
57.03448	3.3
59.01378	2.6
61.98840	0.6
69.77954	3.1
71.05024	3.0
73.02964	1.1
81.03467	0.5
83.05037	1.7
85.02972	1.1
85.06591	4.0
87.04518	1.4
95.05057	0.5
97.02969	0.7
98.20696	0.7
99.00933	0.5
99.04522	0.6
99.08194	0.9
101.06113	0.9
109.02968	1.1
109.06638	1.2
111.04534	13.7
121.06601	0.7
123.00916	8.4
123.08176	0.8
125.02496	2.5
125.06097	17.1
126.06495	0.8
127.07703	0.4
135.04529	0.5
135.11848	0.5
137.02477	6.3
137.06097	0.6
137.09737	1.5
138.03271	5.2
139.04057	1.0
141.09254	3.4
142.02660	0.5
143.96048	0.4
145.76689	0.4
149.09755	0.7
149.12440	0.4
151.04044	1.3
151.07642	2.0
151.11346	0.5
152.04834	4.3
153.05545	1.7
153.09186	0.9
155.07169	0.5
161.06123	0.5
163.07715	0.8
163.11334	0.7
165.05637	1.2
165.12880	1.5
170.02263	4.2
177.01956	0.9
177.09244	0.6
177.12889	0.9
178.02681	1.3
179.03528	3.1
179.07130	0.8
179.10796	1.6
180.04308	14.0
181.04713	0.9
181.08716	1.7
184.03844	0.5
193.12352	1.4
195.06653	0.6
195.10284	1.2
197.08214	0.6
207.10242	1.8
219.10252	0.9
219.13910	1.0
221.08177	2.3
221.11809	1.2
223.09723	2.4
235.09692	2.4
236.10538	26.3
237.10930	2.3
237.14992	0.9
238.08556	0.6
242.02133	0.7
247.09706	0.9
249.11287	2.4
250.11624	0.5
261.14999	1.8
261.18619	4.4
262.08472	1.4
265.10742	0.9
275.16510	1.1
279.15814	0.4
287.16809	0.8
287.20184	2.3
289.14465	0.4
291.12347	0.5
291.16083	0.5
293.13629	0.5
305.17615	5.5
305.21179	1.4
306.17905	0.6
311.09171	0.9
313.14557	0.5
331.15497	1.8
331.19159	1.2
349.16559	100.0
349.20267	13.5
350.16901	13.8
350.20612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74943	0.4
59.01381	100.0
60.01709	1.3
61.98833	34.1
63.67142	0.5
71.01388	1.1
71.48914	0.8
80.57162	0.4
83.05047	0.4
89.02438	0.7
101.02459	1.3
109.02982	0.9
113.02512	0.4
123.04505	0.5
125.02443	0.7
125.06110	0.4
135.04555	0.7
137.02469	0.8
161.04674	0.6
182.91936	0.4
187.09901	0.5
200.35065	0.4
289.07202	2.2
349.14996	0.8
349.19061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03104	0.4
57.03464	0.5
59.01381	100.0
60.01710	1.0
61.98836	1.3
69.48824	0.6
69.49231	3.4
71.01382	4.6
72.99334	0.5
73.02969	1.2
83.01398	0.6
83.05051	0.6
85.02987	1.5
87.00893	0.5
89.02473	2.5
89.41222	0.4
93.03489	1.5
95.01425	0.6
96.96036	0.7
99.00935	0.5
101.02434	3.1
111.04528	2.0
112.21519	0.4
113.02511	1.7
119.03544	1.1
119.05084	2.6
120.99664	0.5
125.02470	0.4
125.06155	0.6
134.03661	1.0
135.04559	3.0
141.09273	0.5
143.05038	2.0
145.02960	1.0
153.02011	0.7
155.03574	1.2
161.02437	1.0
161.04581	1.3
163.04048	1.9
176.04219	0.6
179.03566	1.4
185.08235	0.4
191.05664	0.4
195.03096	0.4
199.04196	0.6
206.75851	0.4
217.05199	0.6
243.26163	0.4
267.06055	1.6
276.01758	0.4
276.06622	0.5
287.11414	0.4
305.13031	0.6
348.58517	2.1
349.08438	6.8
349.12296	0.6
349.19330	1.0
349.58536	2.5
350.09048	0.5
350.16467	0.6
361.89508	0.4
373.09317	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1657
Annotation	7alpha-Hydroxyeurycomalactone
Peak:m/z	Relative Intensity
51.31721	0.3
57.03442	5.0
57.82618	0.3
59.01376	3.2
61.98825	0.5
67.01898	1.3
69.03460	1.3
70.92863	0.7
71.01375	1.3
71.05002	0.4
80.37604	0.4
80.55955	0.4
81.03452	0.5
83.01400	3.8
83.05031	2.5
85.02963	6.8
87.04541	0.8
93.03466	1.9
95.01407	2.2
95.05030	2.2
96.02153	1.0
96.02728	0.4
97.02969	1.2
97.06593	0.4
98.03750	0.9
99.04515	0.6
102.24061	0.3
109.02956	0.9
111.04528	7.5
111.08163	0.5
112.04816	0.4
112.46985	0.3
113.02464	2.7
113.06108	1.2
121.02977	0.4
123.04555	0.8
123.08163	0.5
125.02444	0.6
125.06113	0.8
127.04029	2.3
137.02452	1.4
137.06082	1.0
137.09737	0.4
139.04027	1.0
149.09731	1.5
150.03218	1.1
151.04048	1.0
153.01970	1.8
155.03529	31.4
156.03883	1.3
162.06903	0.5
163.04036	3.6
163.51781	0.3
164.04811	3.5
165.05499	0.5
165.09271	0.4
167.03561	0.9
169.05035	0.4
175.11356	0.4
177.01912	1.7
177.09193	0.3
191.03522	3.0
192.04333	2.5
193.05113	0.4
193.12317	1.4
195.02971	0.6
196.03812	0.8
205.05089	0.4
206.05861	8.4
207.06287	0.7
209.15454	0.3
219.13931	0.9
229.12451	0.3
237.14952	8.5
238.15353	0.6
247.13376	1.7
261.14874	0.8
265.14435	5.3
266.14606	0.3
271.13345	0.5
287.16479	0.9
289.14502	4.9
290.14975	0.7
303.16080	2.6
305.14087	0.7
305.17538	1.6
306.17804	0.4
307.15472	1.4
313.14883	0.5
331.15521	13.7
331.19028	0.9
332.15833	1.4
332.19196	0.3
334.14188	0.4
349.16547	100.0
349.20041	6.5
350.16876	14.3
350.20441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36008	0.6
59.01372	3.1
61.98832	100.0
71.71999	1.2
72.99313	0.7
101.02515	0.6
111.04535	0.8
125.06084	0.8
132.83554	0.7
135.12105	0.6
164.83780	1.1
165.64763	0.6
172.74492	0.7
180.48964	0.6
242.02196	6.4
257.04620	2.6
264.87939	0.8
285.00916	0.9
285.04053	16.5
286.04361	1.7
348.19177	2.4
349.12921	1.3
349.16690	3.5
349.20319	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98831	100.0
62.98538	0.3
63.99256	0.1
64.74306	0.1
70.88551	0.3
70.88945	0.3
83.20854	0.1
141.01927	0.1
150.15401	0.1
162.98506	1.9
164.96413	0.5
181.35742	0.1
203.99976	0.5
205.00247	0.6
205.99713	0.8
206.97456	76.9
207.97574	6.3
231.63147	0.1
240.42517	0.1
348.98575	0.6
349.98785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.3
63.02394	7.8
64.60500	0.6
65.00323	11.5
69.77597	1.1
69.77923	4.9
71.01390	1.5
81.03466	1.1
83.01392	9.5
85.50751	0.7
91.01865	1.0
95.01402	1.5
98.20506	1.3
107.01404	23.9
107.02129	1.4
109.02965	6.9
111.00867	1.7
119.01419	3.0
121.02955	2.9
123.00871	1.3
123.04551	1.8
124.01663	1.9
125.02448	2.9
125.09742	1.9
133.02986	3.1
135.00853	1.3
135.97852	0.7
136.01674	12.6
139.04266	0.7
139.07697	1.2
143.05058	1.5
145.02951	1.0
147.00925	7.8
148.01686	3.2
149.02478	1.5
150.15742	0.7
151.00388	78.0
152.01103	4.9
153.01898	3.3
155.05026	1.1
157.02989	1.4
159.04517	1.7
161.02444	2.5
163.00404	4.1
163.03998	0.9
164.01060	1.2
165.01909	0.9
167.03447	3.4
169.01451	6.1
169.08699	1.3
171.04506	3.3
175.04007	2.4
177.01860	0.9
178.99879	48.8
179.03456	3.1
180.00235	2.6
180.03801	0.7
180.49208	0.7
183.04518	3.1
185.02419	1.2
187.00337	1.8
187.03934	1.8
187.13411	3.0
189.01947	1.1
190.99892	1.5
193.01424	2.0
195.02995	2.1
198.03288	1.7
199.04034	10.2
200.04315	1.1
201.01965	4.6
203.03555	2.6
206.99382	1.3
207.03030	1.8
211.04013	2.4
213.01933	1.3
215.03522	2.9
218.72873	0.7
226.02771	1.8
227.03482	11.0
228.03989	0.9
229.01480	0.9
231.02960	3.5
243.02988	14.3
244.03363	0.9
245.04488	1.3
254.90337	0.7
255.02959	8.6
256.03625	4.0
271.02460	100.0
272.03067	18.6
273.04004	4.9
287.05603	2.7
299.01974	65.6
300.02725	77.9
301.03378	22.8
302.03854	2.3
303.04971	1.2
317.03036	1.8
331.04584	87.7
332.04974	9.3
349.05582	2.5
349.18857	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74943	0.4
59.01381	100.0
60.01709	1.3
61.98833	34.1
63.67142	0.5
71.01388	1.1
71.48914	0.8
80.57162	0.4
83.05047	0.4
89.02438	0.7
101.02459	1.3
109.02982	0.9
113.02512	0.4
123.04505	0.5
125.02443	0.7
125.06110	0.4
135.04555	0.7
137.02469	0.8
161.04674	0.6
182.91936	0.4
187.09901	0.5
200.35065	0.4
289.07202	2.2
349.14996	0.8
349.19061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1864
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
59.01368	1.0
61.98814	0.4
67.05532	0.5
68.99812	0.6
79.01917	0.7
79.05548	0.3
81.03429	0.3
83.05018	0.3
85.65002	0.3
95.05024	0.7
98.19849	0.7
105.03460	0.3
109.02988	0.8
111.00903	0.4
111.04533	37.1
112.04893	0.9
122.03718	0.6
123.00887	0.7
123.04539	1.6
123.08186	0.5
124.01684	0.3
125.02476	1.6
125.06065	0.4
128.94568	0.3
137.02336	0.3
137.99585	0.6
149.02454	0.3
149.09738	0.9
150.03235	0.4
151.00397	3.0
151.04036	1.2
165.05591	5.8
166.06291	0.9
175.07602	0.6
177.05640	0.3
177.09273	0.3
179.07156	7.6
180.07680	0.4
187.15015	0.3
191.07190	0.3
193.05110	1.3
193.08714	4.4
194.05882	1.2
194.09056	0.4
195.06613	1.7
198.05338	1.6
205.05051	0.7
207.06641	1.2
208.07405	4.2
209.08087	1.1
212.06879	2.8
215.72145	0.3
216.62103	0.3
220.07280	0.4
221.08202	17.9
222.08488	1.3
231.14079	0.2
235.06099	0.6
235.09703	0.4
245.08170	0.3
249.07762	0.9
263.09232	0.5
264.57800	0.3
267.02951	2.5
277.10968	0.4
277.14368	0.6
278.11450	0.4
289.11011	0.4
289.14313	0.3
293.10229	0.5
309.76767	0.3
309.80301	0.4
329.17465	0.9
347.18643	100.0
348.18997	12.5
348.22113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.39649	0.3
60.01711	1.1
61.98833	6.7
62.22088	0.4
70.74174	1.2
71.01380	0.3
91.04061	0.9
148.27913	0.5
213.14912	2.3
254.10179	0.3
285.04123	1.0
304.12186	0.5
311.19696	0.4
347.09061	0.4
347.18738	3.3
348.19241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	1.2
61.38049	0.3
61.98835	1.3
71.01376	0.4
71.14046	0.3
71.27306	0.9
91.04016	1.7
96.96039	0.4
100.09969	0.3
109.41036	0.3
121.03044	0.4
125.06090	0.4
133.79471	0.4
135.80400	0.4
137.02504	1.0
149.02505	0.4
149.91843	0.4
151.00403	0.4
183.13994	0.4
194.20244	0.3
213.14931	3.5
213.16701	0.4
225.07704	0.4
275.02188	0.4
277.14481	0.4
285.04117	0.5
315.11673	0.6
329.17773	0.6
347.14838	0.6
347.18652	6.4
347.22626	0.4
348.19232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
55.01870	1.6
55.75074	0.3
57.03444	0.5
59.01369	0.7
61.98826	0.7
68.99805	0.3
70.02354	0.3
71.01391	0.4
71.72290	0.5
87.80644	0.3
96.99332	1.3
99.08153	0.3
108.02178	0.4
109.02906	0.3
109.06625	0.6
109.35505	0.3
111.00898	15.5
111.04546	1.7
112.01168	0.5
113.00062	0.3
123.00915	0.5
123.08215	0.3
124.98839	6.9
125.02458	0.3
125.06092	1.7
125.99632	0.8
127.00416	0.4
127.07680	1.2
131.66908	0.3
133.06598	0.4
136.01689	0.9
137.99631	0.9
139.00395	90.8
139.07674	1.3
139.18556	0.3
140.00694	3.3
140.98352	0.6
149.09674	0.3
151.00359	0.9
151.07773	0.4
153.01968	0.5
167.03526	0.5
179.07133	0.7
181.05118	0.6
189.05667	0.6
193.12395	0.5
204.07903	1.5
207.06723	0.4
221.04822	0.3
221.08226	0.8
234.53349	0.3
235.09834	0.4
249.11276	0.4
251.12856	0.4
259.02451	0.4
265.10855	2.8
277.10800	7.8
278.11508	4.6
279.12048	0.5
293.10333	8.1
294.10632	0.6
303.19620	1.6
319.19186	2.2
329.17685	1.8
347.15100	5.7
347.18649	100.0
348.15411	0.7
348.18976	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	347.1866
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
57.03452	0.6
58.87987	0.2
59.01377	0.4
67.05518	0.4
67.41555	0.2
68.99813	0.6
70.28809	0.7
72.11332	0.3
79.01908	0.7
83.05022	0.2
87.04527	0.6
95.01392	0.3
95.05016	0.7
98.20649	0.3
105.03515	0.3
109.02976	0.8
111.04538	40.6
112.04874	1.3
122.03730	0.3
123.04554	1.7
123.05314	0.3
123.08172	0.5
124.01693	0.3
125.02458	1.1
137.02486	0.3
139.07816	0.3
149.02487	0.4
149.09711	0.8
150.03191	0.3
151.00410	1.5
151.04005	1.0
163.75307	0.2
165.05603	5.2
165.09186	0.2
166.06299	1.2
175.07695	0.8
177.05597	0.5
177.09230	0.4
178.06342	0.4
179.07169	8.3
180.07614	0.5
193.05095	1.2
193.08739	5.3
194.05882	1.1
195.06639	2.2
198.05373	1.2
207.06735	1.1
208.07423	4.5
209.08186	1.0
212.06944	3.6
221.08209	21.1
222.08536	1.6
235.09627	0.3
237.07890	0.3
245.08195	0.3
249.07794	0.7
250.08072	0.3
257.19058	0.3
263.09283	0.3
264.09955	0.4
277.14493	0.6
289.10880	0.3
329.17719	0.5
347.18655	100.0
348.19006	13.3
348.23392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41989	0.1
57.03450	1.3
59.01385	0.2
60.04243	0.1
62.82730	0.1
68.99827	0.4
69.03467	0.2
70.28881	0.4
71.01398	0.5
73.82287	0.1
79.01893	0.2
81.07103	0.2
83.01408	0.2
83.05049	0.2
93.03434	0.1
95.01411	0.2
97.02971	0.4
99.08175	0.8
109.03086	0.1
109.06606	0.2
110.00083	0.1
111.00878	0.2
121.02997	0.1
121.06618	0.1
123.00891	1.3
123.04499	0.1
123.08185	0.3
124.01691	1.4
125.06100	19.3
125.09715	0.3
126.06429	0.8
127.07623	0.1
133.06667	0.2
135.04576	0.1
137.02480	0.7
138.03239	1.0
149.09747	0.3
150.03360	0.1
151.00391	0.3
151.04001	0.2
152.01131	0.2
153.05615	0.5
153.09215	0.2
156.00685	0.7
159.11844	0.1
165.01941	6.6
165.05600	1.1
166.02385	0.3
166.06364	0.3
170.02249	0.6
175.11377	0.2
177.09213	0.1
179.03607	0.4
179.07169	1.1
180.07945	1.0
181.08691	0.1
189.12823	0.1
193.05028	0.2
193.08679	0.1
193.12366	0.3
194.05684	0.1
195.06610	0.3
198.05312	0.2
201.12863	0.1
203.10774	0.3
207.06621	1.2
208.07408	4.5
209.07928	0.5
212.06917	3.6
212.09012	0.1
213.07292	0.3
215.14497	0.1
217.12410	0.1
221.08211	1.8
221.11627	0.1
222.08559	0.3
231.14101	0.1
233.15430	0.1
245.11871	0.2
260.10300	0.1
263.12878	3.0
264.13171	0.3
285.18890	0.1
289.10703	0.2
303.19614	0.3
304.12839	0.1
311.16544	0.1
329.17578	1.1
330.17953	0.2
347.18634	100.0
348.18976	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	347.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16465	0.3
57.03446	1.3
59.01385	1.6
59.33194	0.3
68.79450	0.3
69.03432	0.3
70.49133	1.2
71.05028	4.3
73.02949	1.0
79.05524	0.4
81.03470	1.2
83.05011	0.4
85.02966	3.6
95.05053	0.4
97.02963	3.6
97.06596	0.7
99.04513	0.5
107.05055	0.4
109.02962	1.0
109.06597	0.4
111.00876	1.4
111.04546	0.6
113.02470	1.2
121.06515	0.3
122.03761	0.3
123.04538	0.6
125.02448	0.7
125.06105	2.2
131.04900	0.3
137.02460	0.5
138.03221	0.4
141.05617	0.9
141.09227	0.6
148.05327	0.4
149.02409	0.5
149.05981	0.4
150.03227	0.4
151.04002	1.5
152.04778	0.5
153.01921	0.4
161.06079	0.7
162.06866	0.9
163.04004	0.6
163.07570	0.4
164.04820	1.1
165.05611	0.6
166.06367	1.2
167.03540	6.2
169.05078	9.6
170.05383	0.6
177.01877	0.4
177.05637	0.5
178.06395	0.4
179.03456	0.3
179.07156	0.6
180.04321	1.3
181.05083	0.7
187.07668	0.7
189.09229	0.4
192.04419	0.4
193.05005	0.7
193.15959	0.3
195.03000	1.6
199.07597	0.6
200.03281	1.0
203.07120	1.5
204.07872	0.6
205.05135	0.9
205.08626	0.4
206.05737	0.6
207.06558	0.5
207.10254	0.5
207.13885	0.5
208.07350	0.5
209.04521	1.9
210.05380	4.2
215.07162	0.7
216.11580	0.6
217.05069	1.2
217.08727	7.5
217.12273	0.9
218.09378	2.0
219.10152	0.6
221.08073	0.5
221.15526	0.4
231.06581	1.1
231.13914	1.1
235.09764	4.2
236.10106	0.4
242.09444	0.4
243.10168	0.4
245.08144	2.1
247.17180	0.4
249.14925	1.9
259.09692	1.2
260.10519	5.7
261.11270	6.0
262.11591	0.4
263.09256	1.6
263.12796	0.4
271.13364	0.4
277.58630	0.3
280.66037	0.3
285.18484	0.8
286.18851	0.3
287.16473	2.5
288.17041	0.4
301.18073	0.9
303.19550	1.4
305.17578	0.6
323.38031	0.3
329.17566	11.5
329.21439	0.7
330.18015	1.5
332.16440	0.5
332.22745	0.3
347.18649	100.0
347.22055	4.5
348.18991	13.7
348.22491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01365	0.2
65.00360	0.1
68.99812	0.7
69.03446	0.2
69.54830	0.5
69.55254	0.2
71.01397	0.5
71.05032	0.4
78.91907	0.3
79.01887	0.7
79.02210	0.1
81.07104	0.3
85.02985	0.1
87.45432	0.1
89.39495	0.1
93.03444	0.1
94.68372	0.1
95.01405	0.4
97.02960	0.2
99.08174	1.3
101.06112	0.2
104.59028	0.1
107.05055	0.1
109.02971	0.1
109.06598	0.3
110.00148	0.2
111.00905	0.3
121.06593	0.2
123.00900	0.8
123.08188	0.4
124.01691	0.8
125.06103	23.0
125.09669	0.4
126.06440	1.0
133.06573	0.2
135.08144	0.1
136.05316	0.1
136.98853	0.2
137.02458	1.4
137.06146	0.1
138.03209	0.3
147.08176	0.2
149.09761	0.2
151.00371	1.3
151.01546	0.1
151.04016	1.1
151.07614	0.1
152.01160	0.1
152.04825	1.2
153.05617	0.6
153.09258	0.6
156.00592	0.2
159.11754	0.1
161.09784	0.1
164.08432	0.1
165.01929	0.1
165.05585	2.3
165.09256	0.1
166.06396	0.4
167.03555	0.2
175.07689	0.1
175.11292	0.3
177.05614	0.1
177.09273	0.1
179.03511	3.3
179.07080	0.9
180.03929	0.2
180.07936	1.0
181.08611	0.2
184.03802	0.9
185.04185	0.1
189.05635	0.1
189.09102	0.1
192.04129	0.1
193.05093	1.0
193.08740	0.1
193.12392	0.6
194.05597	0.1
195.06642	0.5
198.05368	0.2
203.07419	0.1
203.10834	0.4
204.07910	0.2
205.15916	0.1
207.06621	1.4
208.07407	4.5
209.07845	0.7
212.06906	3.2
213.07179	0.2
221.08194	1.6
221.11673	0.1
222.08618	0.3
233.15347	0.1
245.11832	0.2
260.10486	0.1
263.12875	1.8
263.87918	0.1
264.13055	0.2
303.19592	0.4
311.16458	0.1
318.14453	0.1
329.17557	0.9
330.18027	0.2
346.92099	0.3
347.18643	100.0
348.18979	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	347.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82479	0.1
59.01398	0.2
69.50515	1.6
71.05009	0.2
71.22309	0.1
79.01875	0.2
83.05067	0.2
83.06477	0.1
97.02990	0.3
98.19864	0.2
111.00918	0.2
123.04575	0.1
124.01672	0.5
125.02471	1.1
125.06073	0.4
130.64749	0.1
136.05345	0.4
137.02457	0.3
142.20818	0.1
149.02457	0.2
151.00395	0.3
151.04048	0.3
153.01979	2.3
154.02771	2.1
158.01701	0.1
164.04811	0.7
165.05602	0.4
165.12833	0.2
167.03496	1.7
168.04044	0.2
177.27739	0.1
179.00008	0.1
180.00656	1.6
181.01512	1.7
181.05054	1.4
182.02240	6.9
183.02606	0.4
183.06551	0.3
192.04323	0.9
193.05014	0.6
195.03015	1.1
201.68459	0.2
209.04576	1.8
210.05351	100.0
211.05695	6.3
221.08327	0.3
235.09753	1.3
278.11664	0.3
285.21707	0.1
329.17603	0.6
347.18649	16.6
348.18967	2.7
348.22891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54626	0.2
50.54895	0.2
55.01889	0.3
57.03450	0.8
59.01373	0.4
65.03958	0.6
67.01885	0.7
71.05032	0.9
71.72399	0.4
73.02964	0.9
79.01901	0.8
79.05549	0.7
83.01419	0.3
85.02951	0.2
85.06597	0.3
95.05042	0.4
97.02959	7.6
97.06604	0.6
99.04547	0.3
103.07530	0.3
107.05060	0.8
108.02139	0.2
109.02970	0.6
109.06609	3.7
111.04523	0.8
119.05062	0.4
121.06616	8.4
122.07023	0.4
123.04552	3.4
125.02503	0.4
125.06100	2.8
135.04523	0.6
135.08208	0.6
136.05341	0.5
137.02405	0.3
137.06116	1.7
139.04065	0.3
147.04533	1.2
151.04042	3.1
151.07706	0.7
159.04527	0.4
159.08157	0.4
163.03993	0.7
164.04762	0.3
165.05597	16.0
166.05931	0.7
175.07668	2.2
177.01973	0.7
177.05490	0.4
177.09235	9.4
178.09599	0.4
179.03433	0.3
179.07042	0.6
179.10767	0.4
181.05080	0.4
189.05646	0.6
191.03522	3.1
192.07800	0.3
193.08720	0.7
195.06654	1.1
203.07141	1.8
205.05084	0.7
207.06647	8.4
207.10101	0.4
208.07300	0.9
210.05321	0.8
212.06908	0.5
219.06622	1.0
220.07289	0.4
221.08205	48.3
222.08571	4.0
232.11119	0.4
235.09819	0.7
247.09741	0.4
260.10532	0.9
263.12921	0.3
277.14423	0.9
283.17429	0.3
283.73389	0.3
285.18637	0.5
303.19614	0.4
317.14142	0.3
329.17584	2.8
330.17786	0.4
347.18646	100.0
348.18982	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	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03449	4.7
59.01368	0.4
63.40004	0.2
63.66896	0.2
69.03451	0.2
69.74895	1.1
71.01360	0.3
71.05032	2.1
73.02962	0.3
79.01907	0.5
80.02688	0.2
81.03464	0.6
83.05030	0.5
85.06602	0.5
93.03470	0.8
93.33998	0.2
95.05024	1.3
97.02967	3.3
97.06588	1.3
107.05038	1.3
109.02971	0.6
109.06606	20.5
110.06924	0.7
111.04520	0.8
111.08124	0.4
120.05816	0.2
121.06620	0.4
123.00900	0.2
123.04522	0.5
123.08176	0.7
125.06100	2.2
125.09760	0.3
126.06430	0.2
127.07674	1.2
133.06644	0.4
135.04611	0.3
135.08182	6.7
135.09209	0.4
136.05363	1.3
136.08531	0.4
137.02470	0.4
137.06131	0.4
137.09801	0.3
139.07713	0.3
147.08192	0.4
149.06131	0.3
149.09753	0.4
151.00397	0.3
151.04015	0.8
151.07652	3.1
153.05615	0.8
153.09259	1.4
160.08896	0.4
163.07677	0.3
164.08412	0.2
165.05608	0.5
165.09201	0.3
175.11226	0.2
177.12856	0.4
179.03513	0.5
179.06996	0.2
180.04439	0.2
180.07961	0.2
181.08685	0.3
186.39084	0.2
192.07890	0.3
193.05083	0.2
193.12451	1.0
194.05815	0.3
195.06563	0.5
200.06900	0.2
201.09207	0.2
207.06602	1.3
207.10315	0.3
208.07411	1.3
209.08163	0.4
212.06868	0.6
215.14467	1.2
219.10236	0.4
221.08247	0.3
227.14397	0.2
233.15416	0.5
235.09802	1.0
247.09964	0.2
247.16951	0.6
263.13046	0.2
273.14932	0.3
277.14343	0.4
278.11700	0.2
285.18668	1.4
289.14594	0.2
291.15985	2.3
303.19629	2.3
304.19913	0.2
307.37769	0.2
317.14072	0.2
329.17664	0.7
343.12839	0.2
347.18625	100.0
348.18985	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	347.1865
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
57.03445	0.9
59.01382	0.2
65.00340	0.1
68.99810	0.6
69.03457	0.2
69.48563	0.1
71.01384	0.6
71.05021	0.4
71.49651	0.2
79.01891	0.4
81.07092	0.2
81.50628	0.1
83.05033	0.1
86.40273	0.1
95.01411	0.3
97.02980	0.2
99.08176	1.0
99.48795	0.1
101.06104	0.1
108.02199	0.1
109.06607	0.2
110.00072	0.2
111.00884	0.2
121.06612	0.1
123.00885	0.6
123.04515	0.1
123.08189	0.3
124.01694	0.7
125.06099	20.7
125.09729	0.3
126.06448	0.9
127.07662	0.1
133.06642	0.1
136.98888	0.2
137.02470	1.5
138.03226	0.2
149.09724	0.2
151.00383	1.5
151.04025	1.2
152.04802	1.1
153.05640	0.5
153.09213	0.3
156.00690	0.2
159.11797	0.2
163.11324	0.1
164.04758	0.1
165.01926	0.3
165.05589	2.2
166.06329	0.3
167.03473	0.1
175.11263	0.3
177.09245	0.2
179.03502	3.0
179.07091	0.7
180.03931	0.3
180.07956	1.1
181.08525	0.1
184.03815	1.1
185.04121	0.1
188.72403	0.1
193.05063	0.9
193.08601	0.1
193.12338	0.5
195.06580	0.3
198.05345	0.3
203.07213	0.1
203.10739	0.4
204.07852	0.1
205.16045	0.1
207.06606	1.1
208.07407	4.6
209.07930	0.6
211.34680	0.1
212.06906	3.1
213.07358	0.2
215.14415	0.1
217.04114	0.1
217.12282	0.1
221.08192	1.7
222.08653	0.2
233.15463	0.1
235.09766	1.4
236.10251	0.1
245.11789	0.1
248.09486	0.1
263.12881	1.9
264.13141	0.1
278.11536	0.2
303.19620	0.5
311.16608	0.1
319.19135	0.1
329.17490	1.0
347.18631	100.0
348.18967	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	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75626	0.7
53.53496	0.7
55.01880	1.7
57.03456	1.4
58.00592	2.9
59.01381	100.0
60.01716	1.1
67.08395	0.7
71.01389	62.3
71.71788	0.9
72.93371	0.7
72.99317	5.3
73.02990	1.3
83.01387	3.5
85.02960	10.6
87.00901	3.2
89.02457	68.1
90.02786	1.1
95.01383	4.4
101.02457	34.0
113.02467	25.3
113.03240	1.5
119.03523	30.5
125.02448	0.9
131.03546	3.2
143.03526	4.8
144.31894	0.8
149.04597	2.2
161.04601	2.9
167.10796	31.8
168.11169	2.2
177.55228	0.9
179.05643	8.2
185.11833	5.9
195.94641	0.8
259.02731	2.2
329.03177	2.0
347.07785	1.7
347.17206	6.8
348.17709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
52.06662	0.1
57.03454	1.0
59.01365	0.2
60.92533	0.1
68.99821	0.3
69.03475	0.1
71.01392	0.6
72.15775	0.1
79.01914	0.3
81.07100	0.3
83.05077	0.2
95.01411	0.2
97.02967	0.2
99.08181	1.0
104.52003	0.1
110.00093	0.1
111.00854	0.2
116.78765	0.1
123.00909	1.3
123.08177	0.4
124.01689	1.4
125.06107	19.5
126.06462	0.6
133.06578	0.2
137.02455	1.0
138.03275	0.8
148.56496	0.1
151.00403	0.3
151.07681	0.2
153.05611	0.5
153.09224	0.2
156.00655	0.7
159.11768	0.2
165.01949	6.4
165.05595	1.6
166.02304	0.2
166.06297	0.3
170.02226	0.7
179.03528	0.4
179.07185	1.2
180.07956	0.8
193.12418	0.5
195.06630	0.3
198.05327	0.3
201.12762	0.1
203.10828	0.3
207.06621	1.3
208.07423	4.6
208.09415	0.2
209.08080	0.6
212.06914	3.7
213.07251	0.3
217.12285	0.2
221.08203	1.6
231.79922	0.1
235.09811	0.3
260.10333	0.2
263.12888	2.9
264.13043	0.3
289.10886	0.2
303.19733	0.2
329.17664	0.8
347.18646	100.0
348.18991	13.7
348.23352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01899	0.5
57.03457	0.9
58.00597	2.2
59.01382	44.0
60.01725	0.7
61.98861	1.1
69.03474	1.4
71.01386	25.4
71.71603	0.7
71.72053	0.6
72.99314	5.5
73.02958	1.0
83.01418	1.3
85.02946	5.1
87.00900	1.6
89.02454	20.3
89.02990	1.2
95.01418	2.2
96.45774	0.6
99.00949	0.9
99.08179	1.3
101.02454	18.0
111.42719	0.5
113.02475	7.5
119.03511	11.6
119.04313	0.8
125.06123	1.9
131.03513	0.7
136.40179	0.5
139.11295	5.0
143.03523	0.7
151.00388	0.8
161.04498	0.9
167.10794	88.0
168.11118	6.5
179.05624	1.0
185.10181	1.2
185.11850	22.3
186.12175	1.7
227.12857	0.6
244.03911	0.7
247.02184	0.7
263.12863	1.0
271.02472	0.6
276.01651	2.4
285.03964	1.5
291.30505	0.6
291.64566	0.6
303.05121	1.4
335.81088	0.6
347.04166	3.3
347.17096	100.0
348.17447	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	347.1714
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.96746	0.6
55.01873	4.2
57.03456	3.0
58.00583	1.2
59.01381	28.4
71.01388	31.9
71.71438	0.9
72.99300	1.5
73.02950	15.3
75.39822	0.6
83.01400	7.4
84.63058	0.6
85.02960	19.8
86.00111	2.9
87.00886	1.6
89.02458	5.7
95.01409	2.8
99.00904	5.9
101.02454	33.9
111.00935	0.7
113.02467	13.2
119.03491	1.8
125.02448	1.1
127.30576	0.6
129.01895	0.7
143.03514	0.7
159.02994	2.0
161.04582	6.2
167.10794	4.6
185.11850	4.8
265.43045	0.8
303.18155	4.5
329.03098	1.5
347.17117	100.0
348.17517	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1715
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.00959	0.7
55.01884	1.3
57.03456	1.5
58.00601	4.9
59.01382	100.0
60.01723	1.3
61.98841	0.9
69.47135	0.7
69.47709	7.0
69.48039	1.1
71.01388	63.4
72.01719	1.6
72.99317	4.1
73.02960	2.0
83.01424	1.9
85.02959	10.6
87.00900	3.1
89.02457	76.1
90.02788	2.2
95.01405	3.6
98.19877	1.1
101.02458	33.2
102.02814	1.2
113.02470	26.0
114.02823	1.3
119.03520	30.3
120.03855	1.1
130.63477	0.6
131.03493	3.6
133.62894	0.6
143.03528	4.7
149.04604	2.1
161.04526	3.8
167.10796	12.8
168.11186	0.9
179.05612	10.3
185.06172	2.6
185.11942	0.9
250.22276	0.7
266.26367	0.7
271.02594	0.8
329.03085	0.8
347.17117	13.2
348.17722	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	347.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28586	0.8
55.01884	1.5
56.01749	0.9
57.03445	3.9
59.01374	3.8
67.01853	0.8
69.03441	1.4
70.11362	0.9
70.62894	3.0
70.63264	1.2
70.82507	0.8
71.01390	19.4
72.99314	0.9
73.02949	17.6
81.03461	1.7
82.98586	0.8
83.01389	3.4
83.05040	6.6
85.02962	7.3
87.00915	1.6
93.03468	42.4
94.03796	1.6
99.00896	24.0
99.04517	6.0
100.01253	1.6
101.02414	0.9
109.02961	1.0
111.00901	7.8
111.04533	16.9
112.04897	1.1
112.98829	50.9
113.99164	1.1
115.00377	2.1
124.98816	3.8
127.00361	0.9
129.01959	6.4
137.02458	14.2
140.98386	1.0
142.99886	62.4
143.03534	3.8
144.00226	1.8
145.01450	3.0
155.03516	8.4
173.00940	41.0
173.04567	100.0
174.01289	1.5
174.04941	5.4
347.54779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01876	1.2
57.03447	0.9
58.00590	1.2
59.01382	28.8
61.98817	1.3
66.55486	0.4
71.01388	17.3
71.72393	0.7
72.99307	1.7
73.02962	1.7
75.05249	0.4
75.05676	0.4
83.01389	2.0
85.02953	4.0
87.00894	1.7
87.04511	0.8
89.02462	12.8
92.49001	0.4
95.01405	1.5
99.00899	0.7
101.02459	13.2
113.02459	6.4
117.72464	0.6
119.03516	5.0
125.02495	0.8
139.11314	10.9
140.11726	0.6
143.03497	0.6
166.06308	0.5
167.10823	1.8
169.12337	0.9
179.05556	0.6
181.12431	0.9
185.11850	51.2
186.12207	2.7
194.05820	1.2
227.12907	1.1
235.03281	0.5
259.26889	0.5
263.12863	1.6
273.04028	2.7
280.26215	0.4
288.12415	1.6
303.08710	0.8
347.08466	2.4
347.17123	100.0
348.17688	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	346.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32122	2.1
57.03461	3.2
58.08163	2.5
59.01383	38.4
59.08874	2.4
61.98836	39.8
69.43634	19.1
69.44061	10.0
71.01389	6.3
72.99315	49.5
73.02940	7.4
75.00871	38.1
75.15916	2.2
85.02982	3.9
87.04515	3.4
89.02459	4.8
98.19814	5.7
101.02457	5.7
113.02467	5.4
116.05247	2.3
155.08716	6.1
199.07591	16.5
211.95695	2.5
227.07141	15.8
239.12881	86.2
240.13156	6.1
260.95279	2.9
283.11874	100.0
284.12207	14.7
347.17230	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	346.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77279	0.4
57.75533	0.4
59.01377	17.4
70.02941	0.7
71.01384	8.7
71.71186	0.5
73.02958	0.5
74.02473	0.5
78.95906	1.4
83.01435	0.6
84.00892	0.7
85.02970	1.1
89.02449	2.2
93.03452	0.7
95.01427	0.7
95.05037	3.3
97.06635	0.5
101.02457	1.7
104.05904	0.5
110.02448	0.7
111.04549	0.7
112.04064	32.0
113.02455	2.1
113.04402	1.2
119.03502	0.9
120.99656	1.5
121.06609	1.1
122.06135	1.0
123.00903	1.3
123.04522	1.4
124.04060	12.0
125.02396	1.6
126.05626	3.5
138.05640	0.8
138.86703	0.5
140.07190	4.2
141.05600	1.2
154.05101	6.5
154.08665	0.6
161.04619	1.0
163.03967	0.8
166.05109	100.0
166.99911	0.6
167.03592	0.6
167.05437	4.7
173.04509	1.0
182.08241	28.3
183.08574	1.8
184.03569	0.5
184.06181	11.6
189.05562	0.6
191.05617	1.8
208.06158	1.2
226.07242	9.3
227.07320	1.0
255.92564	0.5
286.09396	1.1
303.24710	0.5
328.10498	4.4
329.10571	0.6
346.11490	28.3
347.05978	0.6
347.11792	2.9
347.18402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2074
Annotation	(-)-Calycanthine
Peak:m/z	Relative Intensity
50.51868	0.4
51.95975	0.3
55.01872	0.6
57.25906	0.3
59.01371	1.3
61.98818	0.3
70.47752	0.6
79.01893	1.8
81.03495	0.3
85.03296	0.3
87.00881	0.5
95.01382	0.9
109.02953	1.1
111.00890	0.4
123.04543	0.4
124.00823	0.6
124.01680	6.9
125.02459	2.2
125.06112	1.1
135.08179	0.3
137.02461	100.0
138.02754	3.5
151.00394	2.4
151.04012	1.5
152.04813	0.6
165.01978	0.5
165.05579	0.8
179.07191	0.8
180.07985	2.9
191.07140	0.7
193.05086	1.0
193.08803	0.5
205.08786	0.4
207.06505	0.3
208.07410	5.5
209.07848	0.5
212.06941	4.0
219.10246	1.2
233.11761	0.4
261.11243	1.0
276.01633	1.1
276.13651	8.1
277.14075	0.9
345.20712	98.8
346.21048	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	345.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
57.03442	1.4
59.01382	1.1
69.70690	4.6
69.71095	1.0
70.43894	0.7
85.06593	1.0
87.04504	0.8
98.19842	0.8
108.43455	0.8
109.06621	1.0
111.04535	6.6
118.75459	0.7
123.04543	1.7
123.08179	5.0
137.02477	1.8
142.68889	0.7
151.04028	2.8
163.04012	2.3
165.09206	1.6
166.02711	1.6
167.07169	0.9
177.09235	1.0
177.12837	1.1
191.03497	1.0
193.05019	1.0
200.68114	0.8
203.07170	1.0
205.08673	2.1
207.06589	1.3
208.07416	8.2
209.08125	3.2
215.07213	1.1
219.06654	7.4
221.08186	19.2
222.08723	2.0
231.17314	0.9
233.08180	33.0
233.15427	2.4
233.87683	0.8
234.08621	3.1
235.09674	0.9
247.09801	0.9
261.11288	2.5
275.12790	2.2
275.16498	4.1
276.13522	2.6
299.20239	1.7
301.18588	1.3
301.21649	6.1
302.22028	0.9
345.16962	24.4
345.20691	100.0
346.17386	3.6
346.21042	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88718	0.5
59.01376	7.0
60.01725	0.6
61.98832	100.0
62.90181	0.4
70.17719	1.1
70.18115	1.4
70.20848	0.4
87.47679	0.5
96.96043	1.9
98.20601	0.9
193.31735	0.5
201.02661	0.8
202.02628	3.2
203.02292	4.0
204.00000	53.4
205.00121	5.2
256.36099	0.5
256.85925	0.5
296.83969	0.6
346.01337	1.4
347.01465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.41959	1.1
55.01863	4.0
57.03447	4.2
58.00593	4.3
59.01379	90.4
61.98811	1.4
71.01388	70.9
71.72121	1.9
72.99316	4.9
73.02953	8.9
75.00880	2.0
77.20827	1.2
83.01398	6.4
85.02956	19.6
87.00890	4.4
89.02453	50.5
93.03465	2.1
95.01410	5.9
95.87270	1.3
99.00898	3.7
101.02459	51.6
103.71420	1.1
104.05088	1.2
109.03041	1.2
109.15147	1.4
113.02464	27.7
119.03517	21.7
121.10211	7.4
122.06142	1.3
125.02477	1.9
131.03511	1.9
132.04553	13.5
133.05423	6.1
134.06068	1.3
143.03540	3.5
149.04553	1.8
159.03035	2.0
161.04558	6.4
165.04390	6.6
165.09232	22.0
173.04678	1.5
177.04208	1.3
179.05566	2.6
182.18459	1.5
183.10284	24.2
191.05585	5.7
209.03378	1.9
214.12370	2.9
215.11993	2.8
229.09837	1.4
229.63971	1.2
257.13004	5.8
283.11044	1.7
301.11929	5.1
329.39044	1.3
345.10941	28.8
345.15540	100.0
346.11270	3.7
346.15848	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	345.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86494	0.2
59.01368	0.4
60.54467	0.2
69.92277	0.5
69.92690	0.9
73.04239	0.2
79.01878	0.4
87.04569	0.3
95.05053	0.2
109.02959	0.3
109.06626	0.2
111.04531	2.1
123.04501	0.3
123.08172	0.6
124.01650	0.3
133.88109	0.2
135.04607	0.2
138.03249	0.3
147.08208	0.2
151.00417	0.5
151.04048	1.5
162.03239	0.3
163.04037	5.1
163.07690	0.7
164.04381	0.2
165.01939	0.6
165.09187	0.3
166.02739	3.0
177.01926	0.5
177.05557	0.3
180.07852	0.2
189.01942	1.7
189.09212	0.3
190.02696	0.4
191.03510	0.9
191.07184	0.7
193.08662	0.4
194.45609	0.2
203.07103	0.3
205.08711	2.8
206.09319	0.3
207.06534	0.6
208.07416	15.6
209.07721	1.2
212.06900	0.4
215.07120	4.5
215.10620	0.3
216.07439	0.3
217.12320	0.5
218.05829	0.5
219.06586	2.2
221.08205	12.7
222.08531	0.8
233.08185	100.0
234.06184	0.5
234.08524	7.8
234.10834	0.5
247.09714	0.9
261.11301	6.0
262.11670	0.5
275.12851	1.9
275.15643	0.3
276.10562	0.5
276.13647	9.0
277.14026	1.1
301.21698	1.7
302.22070	0.3
303.19888	0.2
308.12616	0.3
345.20712	80.0
346.17603	0.5
346.21051	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	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.09663	1.1
55.01864	5.1
57.03433	3.3
57.64479	1.1
58.00591	3.0
59.01380	78.7
61.98800	1.4
69.65147	8.1
69.65556	2.4
71.01388	60.7
72.99300	4.9
73.02958	10.5
77.74898	1.2
82.77264	1.1
83.01392	6.1
85.02954	21.4
86.42617	1.1
87.00878	2.7
89.02455	47.1
93.03453	1.9
95.01386	4.4
97.02965	1.7
99.00888	5.1
101.02455	44.8
113.02460	27.2
119.03516	21.5
120.08904	1.3
121.10250	8.6
121.70832	1.1
132.04539	4.9
133.05334	2.9
139.11263	1.4
143.03485	3.7
159.02960	1.7
161.04611	5.7
161.94586	1.2
165.04269	2.5
165.09210	20.3
179.03508	1.6
179.05576	4.2
182.86526	1.1
183.10281	31.6
184.10638	2.0
191.05609	5.3
214.12346	1.7
244.11732	1.2
257.12915	3.0
301.11926	2.5
301.16461	1.9
308.28766	1.4
345.10934	15.7
345.15488	100.0
346.11826	1.8
346.15805	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	345.1557
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
55.01886	1.0
57.03446	1.3
58.00584	2.0
59.01380	45.5
61.98846	0.7
67.08531	0.7
69.63013	5.9
71.01387	26.1
72.01715	0.9
72.99312	3.9
83.01385	1.6
85.02962	5.7
87.00886	1.5
89.02448	22.1
89.02999	1.3
90.02785	0.7
95.01398	2.6
98.19890	1.4
101.02454	18.5
113.02456	9.9
119.03521	11.0
119.08660	0.8
121.10252	36.4
122.10592	1.5
125.02510	1.0
131.03528	0.9
135.08067	0.9
137.09746	8.7
142.67247	0.6
143.03561	1.2
149.04652	1.0
152.04790	2.4
153.05165	3.4
161.04568	0.9
165.09222	56.3
165.30040	0.8
166.09583	3.6
179.05608	1.6
182.04640	4.6
183.04942	6.3
183.10278	34.6
184.10614	1.4
225.11293	1.2
249.87935	0.8
271.02527	1.1
272.03207	1.5
273.04099	7.8
327.01538	0.8
327.05188	0.7
345.06750	6.8
345.15540	100.0
346.15887	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
57.03441	1.2
59.01379	22.8
61.98825	0.7
69.03468	1.0
70.20735	1.7
70.21131	1.7
70.22681	0.7
71.01393	8.0
71.96299	0.6
72.99319	2.1
73.02956	3.0
75.00887	3.0
83.01397	6.5
83.05051	1.0
85.02950	4.6
87.00858	1.0
89.02467	3.1
93.03437	3.4
93.07099	1.8
95.01424	1.1
97.02969	0.7
101.02418	3.3
109.02939	0.9
109.06631	0.9
111.04533	7.0
113.02467	7.1
113.06116	0.7
119.03498	1.3
119.08679	1.1
119.12623	0.8
120.99677	7.2
121.02994	0.7
121.06609	5.8
123.04529	2.1
125.02474	0.8
133.02904	0.8
135.04536	1.6
135.08186	0.8
137.02487	2.2
137.09804	0.7
138.06168	0.7
139.07672	100.0
140.07990	4.9
145.03011	2.0
149.02480	1.0
153.01892	0.8
153.09219	2.0
163.07681	2.8
165.01944	2.6
165.05573	3.0
165.09334	0.9
165.99121	1.2
173.04585	1.2
177.02019	1.1
179.05675	0.9
181.01477	0.8
181.08781	0.9
182.00595	0.9
182.02231	26.0
183.03030	24.8
183.06638	54.5
183.10255	2.6
184.03320	1.1
184.07016	2.3
191.05630	7.9
201.76671	0.6
207.06659	1.9
213.05614	0.8
225.07620	4.3
243.02957	1.1
243.12323	1.1
285.03964	1.1
285.09698	1.2
313.10754	1.0
315.05249	1.8
345.08356	15.1
345.12173	3.3
345.15506	1.7
345.19537	1.2
346.08789	1.9
348.25656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1195
Annotation	Aucubin
Peak:m/z	Relative Intensity
55.01872	1.6
58.00594	3.5
59.01377	68.5
59.82079	1.5
61.98832	1.6
65.03962	9.1
67.01890	2.3
69.04720	1.2
69.93446	5.5
69.93867	4.1
71.01382	44.7
72.99304	3.7
73.02958	2.0
80.02685	15.9
80.61331	1.3
80.91680	1.6
83.01386	2.8
85.02958	10.7
87.00872	1.7
88.33168	1.3
89.02449	30.8
91.05505	2.9
93.03483	5.9
93.07095	4.8
95.01414	3.8
98.20509	2.8
98.43568	1.4
101.02457	25.7
102.04797	1.5
103.05546	70.8
104.05891	4.0
106.04256	42.0
107.04562	2.4
109.02969	2.2
113.02461	15.6
118.98136	2.5
119.03531	15.4
119.05032	16.0
120.99628	2.6
121.02995	4.3
121.06611	95.2
122.06939	3.5
123.04530	2.3
124.01674	2.9
131.03516	1.5
135.04527	2.8
137.02393	2.0
139.04037	5.1
139.07619	2.5
140.48723	1.2
161.04625	2.0
163.04063	3.6
165.05586	100.0
166.05923	5.5
166.25343	1.4
168.00653	2.3
179.05676	2.1
183.03070	8.4
183.04456	1.9
183.06575	3.1
191.05635	8.7
192.05920	1.5
197.04518	3.4
251.06812	1.4
345.08316	2.8
345.11920	23.0
346.12073	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01379	22.8
61.98825	0.7
69.03468	1.0
70.20735	1.7
70.21131	1.7
70.22681	0.7
71.01393	8.0
71.96299	0.6
72.99319	2.1
73.02956	3.0
75.00887	3.0
83.01397	6.5
83.05051	1.0
85.02950	4.6
87.00858	1.0
89.02467	3.1
93.03437	3.4
93.07099	1.8
95.01424	1.1
97.02969	0.7
101.02418	3.3
109.02939	0.9
109.06631	0.9
111.04533	7.0
113.02467	7.1
113.06116	0.7
119.03498	1.3
119.08679	1.1
119.12623	0.8
120.99677	7.2
121.02994	0.7
121.06609	5.8
123.04529	2.1
125.02474	0.8
133.02904	0.8
135.04536	1.6
135.08186	0.8
137.02487	2.2
137.09804	0.7
138.06168	0.7
139.07672	100.0
140.07990	4.9
145.03011	2.0
149.02480	1.0
153.01892	0.8
153.09219	2.0
163.07681	2.8
165.01944	2.6
165.05573	3.0
165.09334	0.9
165.99121	1.2
173.04585	1.2
177.02019	1.1
179.05675	0.9
181.01477	0.8
181.08781	0.9
182.00595	0.9
182.02231	26.0
183.03030	24.8
183.06638	54.5
183.10255	2.6
184.03320	1.1
184.07016	2.3
191.05630	7.9
201.76671	0.6
207.06659	1.9
213.05614	0.8
225.07620	4.3
243.02957	1.1
243.12323	1.1
285.03964	1.1
285.09698	1.2
313.10754	1.0
315.05249	1.8
345.08356	15.1
345.12173	3.3
345.15506	1.7
345.19537	1.2
346.08789	1.9
348.25656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27532	0.4
59.01370	2.0
63.07553	0.4
65.15388	0.4
68.99786	0.4
69.45663	3.3
69.46083	1.3
71.01363	0.7
75.00882	0.9
89.02454	0.7
95.03795	2.2
96.04533	0.6
96.08220	1.1
99.04355	0.4
100.33848	0.5
101.02467	0.5
104.05082	1.8
106.06638	4.0
112.04056	1.2
113.02489	0.5
122.06124	1.8
123.03271	0.6
124.07694	6.8
128.03606	0.4
132.04568	37.2
133.05371	22.8
134.06165	6.0
136.04010	0.5
138.05577	0.9
148.04063	2.0
150.05624	1.5
153.09239	0.5
161.55092	0.5
165.04327	22.7
165.09189	0.8
166.04634	1.2
176.03622	0.8
176.07199	0.7
177.04300	4.0
178.05040	1.2
183.10277	17.6
184.07649	1.1
184.10600	1.1
185.08432	1.0
186.09218	4.0
187.08769	0.8
191.05591	0.7
198.09236	0.9
209.03322	5.6
212.10760	0.7
213.06689	3.5
214.12390	6.4
215.11865	7.4
216.12216	0.7
226.07419	1.0
227.08411	0.8
228.09230	0.4
229.09816	3.8
237.11011	0.4
239.08299	0.6
240.10320	1.6
241.09798	2.6
242.10330	0.6
250.86179	0.4
255.11491	0.7
257.12946	19.9
258.13226	1.6
267.06714	0.5
274.00366	0.5
283.10870	8.8
284.11246	0.7
297.11389	1.0
301.11929	16.0
302.12238	1.5
327.09744	1.4
345.10913	100.0
346.07230	0.8
346.11243	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	345.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83665	0.7
58.74524	0.7
59.01381	7.1
71.01391	4.1
71.72295	1.1
75.00855	0.7
84.04543	1.6
85.02924	1.3
89.02447	3.5
93.03514	0.7
94.02978	0.9
95.03756	3.6
95.04945	0.7
96.04582	0.9
96.08176	1.0
97.01727	0.8
101.02454	3.5
104.05035	2.0
106.06638	7.5
112.04002	1.1
113.02429	1.1
115.40805	0.7
119.03495	1.4
120.99618	0.9
121.02928	1.0
122.06097	2.1
124.07689	9.7
132.04573	50.0
133.05365	32.7
134.06168	8.5
137.02434	0.7
148.04036	2.5
150.05592	1.4
161.04495	1.0
165.04324	36.7
166.04623	1.6
176.03490	1.5
176.07092	1.0
177.04326	5.3
178.05042	2.6
183.04898	0.9
183.10152	2.0
183.43083	0.7
184.07634	1.7
185.08501	1.2
186.09229	7.0
191.05473	0.9
198.09196	1.6
209.03299	8.8
212.04688	1.1
213.06674	5.0
214.07018	0.7
214.12366	9.4
215.11888	10.2
226.07361	1.3
229.09763	4.5
240.10240	1.8
241.09845	4.3
255.11261	1.3
256.03754	1.8
257.12943	39.5
258.13281	3.5
267.06305	1.0
269.08353	1.1
271.09769	1.0
273.04007	2.7
283.07901	0.9
283.10843	11.5
284.11212	1.7
297.07654	0.9
298.08081	0.9
301.11935	30.8
302.12311	3.3
315.08463	1.6
327.09677	3.3
330.11038	3.0
345.10785	100.0
346.11050	11.8
346.14160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38593	0.3
55.92680	0.3
57.03446	3.0
59.01377	2.1
67.05528	0.3
69.03457	8.3
71.01396	1.1
71.05030	2.0
72.39629	0.3
72.99311	0.6
74.01505	0.3
75.00885	1.2
82.02983	0.9
85.02943	0.8
89.02455	0.6
93.03468	0.9
95.05048	0.4
96.96054	0.3
98.19819	0.6
101.02453	0.9
107.11486	0.3
108.04578	0.4
109.02996	0.5
111.03744	0.3
111.04561	0.3
111.08186	2.3
113.02471	1.0
113.06098	1.1
119.05061	0.6
121.02953	1.7
122.03786	0.7
123.08194	0.9
132.04594	2.1
133.05328	0.4
134.06146	0.8
135.04575	0.8
136.04037	0.6
137.02487	0.4
137.06128	0.5
138.84505	0.4
139.11305	12.8
140.11612	0.4
145.02960	1.0
147.04558	0.6
160.04042	1.6
161.04813	3.8
162.05664	2.5
163.04051	0.8
165.04352	0.4
165.05582	1.4
171.06934	0.6
173.04626	1.4
174.47713	0.3
179.07146	0.8
181.05113	0.6
183.10278	77.8
184.10602	3.9
186.09279	1.3
191.05609	2.0
193.03862	3.2
197.09798	0.6
197.11775	0.5
199.06334	0.9
210.05550	0.8
211.06355	0.4
212.07231	0.4
213.06668	0.9
214.08771	16.7
215.04639	1.0
215.08273	2.1
224.07164	0.4
227.04790	0.6
229.09906	1.5
239.08205	0.8
240.10313	5.4
241.06210	7.5
241.08548	0.3
241.10231	0.3
242.06943	2.2
243.06644	0.4
253.06070	0.8
257.09302	100.0
258.06461	1.0
258.09598	8.5
259.07083	0.7
267.07733	0.4
268.08475	0.8
283.10876	19.7
284.11185	1.8
285.08804	0.9
290.57129	0.3
327.09247	1.0
345.09903	2.4
345.14066	0.9
345.19421	0.4
346.10739	0.4
346.14508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.3
57.03432	0.3
59.42345	0.2
61.95249	0.2
69.47350	2.2
79.01894	0.4
87.04515	0.4
95.05062	0.9
107.05047	0.4
109.06568	0.4
111.04533	3.4
118.42744	0.3
121.10234	0.4
123.04532	0.4
123.08190	3.4
138.03224	0.8
139.04025	0.5
151.04095	1.4
165.01945	0.5
165.09219	3.1
166.02728	2.1
167.07068	0.3
175.11292	0.3
177.09219	0.4
179.03445	0.4
180.04283	1.0
186.93248	0.3
203.07166	0.6
205.08752	0.5
206.90773	0.3
207.06567	0.8
208.07423	6.0
209.08165	2.4
221.06064	0.4
221.08205	7.3
222.08937	3.9
229.16016	0.5
231.13884	0.6
243.17758	0.3
255.13872	0.5
273.14938	1.7
281.18982	0.3
285.11523	0.6
297.18677	0.3
299.12805	0.7
299.20190	6.8
300.13565	0.5
300.20490	0.9
313.14423	0.5
325.18149	1.3
343.19153	100.0
344.19507	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	345.0982
Annotation	Nigrolineaxanthone U
Peak:m/z	Relative Intensity
64.19082	0.2
68.46571	0.2
69.39284	2.6
75.90273	0.2
78.07632	0.2
83.59840	0.3
92.05058	0.2
96.46973	0.2
111.67176	0.2
128.81723	0.2
143.21532	0.2
187.04044	0.2
196.96779	0.2
211.70227	0.2
213.05624	0.2
214.02768	0.4
227.03450	0.4
230.02200	0.6
242.02199	2.2
243.00404	0.3
243.02960	9.4
244.03758	11.0
245.04077	0.8
256.03732	0.2
257.04541	4.3
258.01718	1.8
258.04446	0.3
269.04553	4.0
270.04910	0.4
271.02405	1.8
272.03232	16.3
273.03552	1.7
279.03046	0.7
283.02335	0.3
287.05350	0.3
294.05316	0.3
304.02100	1.0
305.02545	0.2
309.07764	1.7
310.08109	0.3
327.08752	3.7
328.08780	0.4
345.09793	100.0
346.10117	11.7
362.17456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0981
Annotation	Nigrolineaxanthone U
Peak:m/z	Relative Intensity
51.32555	0.2
55.05895	0.3
59.01385	0.9
61.98809	0.5
67.01959	0.4
69.03461	0.3
69.13934	0.3
69.63785	2.1
93.03474	1.0
98.20599	0.6
107.01402	0.3
121.02931	0.4
125.02438	0.6
133.02959	0.4
135.00909	0.4
155.37206	0.3
157.06567	0.6
167.05000	0.4
169.06657	0.8
171.04378	0.4
175.04021	0.8
185.06094	0.7
198.03279	1.0
201.01866	0.5
211.03993	0.6
212.04736	0.6
213.05594	6.7
214.05952	0.6
219.03021	0.8
225.05556	3.0
227.03510	0.5
228.04228	0.8
229.05023	0.3
242.02231	0.4
245.94208	0.3
255.03003	1.3
256.03702	2.0
257.04553	45.4
258.01755	1.0
258.04883	3.3
259.02524	0.4
269.04535	26.7
270.04913	2.6
271.02423	0.4
285.00681	0.3
285.04007	0.6
288.02814	1.7
291.06598	1.1
297.07626	0.5
309.07681	5.0
310.07980	0.4
327.05246	0.4
327.08698	6.7
328.08929	0.7
343.08255	1.2
345.09796	100.0
346.10150	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63688	0.4
53.73688	0.3
59.01382	100.0
60.01719	1.2
61.98874	0.3
62.30876	0.4
65.00312	0.5
69.91627	1.8
69.92039	0.9
70.58096	0.4
71.01398	3.2
85.02976	0.9
89.02457	5.6
101.02475	1.7
107.01457	0.5
113.02419	2.0
119.03503	2.1
124.01685	3.0
139.04045	2.1
143.03583	0.6
151.00414	1.3
161.04630	0.6
178.99924	0.8
179.05676	1.1
181.05128	0.8
183.06770	0.5
235.99582	0.4
236.01945	0.4
343.04825	2.1
343.08276	0.8
343.14359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87409	0.8
56.60069	0.9
58.58533	0.8
59.01368	4.1
70.88557	3.2
96.90556	0.8
108.02180	1.1
111.04522	1.8
124.01683	1.1
128.57881	0.9
129.07111	1.7
136.01689	3.0
137.02446	3.1
141.07133	1.1
149.02480	11.4
158.36232	0.8
161.06061	2.2
163.04030	1.5
165.01971	3.3
166.02734	1.2
175.07706	0.9
177.05595	4.3
178.06349	3.0
184.03537	1.0
189.05580	21.8
190.06349	2.3
191.07176	10.4
192.07811	2.0
203.07150	23.5
204.07773	4.2
205.05170	1.3
218.13022	0.9
219.06609	8.2
220.07417	2.6
221.08209	3.7
231.06627	5.5
231.10262	4.8
232.10945	1.0
246.12544	5.0
247.13086	1.0
274.12128	18.0
275.12531	2.7
288.13828	1.0
315.19644	18.9
316.20035	3.0
343.15591	5.7
343.19153	100.0
344.15747	1.8
344.19519	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	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01878	0.3
59.01375	2.0
70.53036	0.3
71.01385	2.0
71.71660	0.5
73.02945	0.8
78.95880	0.3
81.03466	1.7
85.02963	1.6
89.02436	0.4
91.01906	0.7
93.03470	0.7
93.07108	6.7
95.05044	5.6
95.05673	0.4
96.05354	0.3
99.00910	0.4
101.02465	1.0
103.20854	0.4
109.06606	0.3
113.02507	0.6
115.48090	0.2
119.03547	0.3
119.05038	3.6
120.05397	0.3
121.02981	1.3
129.05046	0.3
134.04703	0.4
135.04530	0.7
136.05287	0.4
137.06100	100.0
138.05569	0.5
138.06459	5.1
151.07738	0.2
153.01927	0.3
160.60287	0.3
163.04027	13.3
164.04378	0.9
179.07121	0.8
180.04303	0.4
181.05069	11.4
182.05431	0.6
191.05617	0.8
205.05156	0.3
223.06058	0.4
343.10349	61.6
344.10724	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01720	1.2
66.49961	0.3
67.43708	0.3
71.01396	4.2
71.65498	0.4
84.02549	0.4
85.02950	0.6
89.02464	5.3
101.02488	1.3
113.02458	1.5
117.98177	0.4
119.03490	1.8
124.01695	3.2
125.02430	0.4
132.36182	0.4
137.09807	0.4
139.04062	1.6
143.03610	0.6
151.00371	1.0
159.11713	0.3
178.99995	0.4
179.05670	1.0
180.26250	0.4
181.08640	0.4
189.81813	0.4
202.91585	0.3
300.02621	0.4
317.26553	0.4
343.04688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.15314	0.2
63.82421	0.2
66.15491	0.2
71.71029	0.3
71.71367	0.4
90.52712	0.2
97.16279	0.2
123.00921	2.1
124.01678	100.0
125.02016	3.5
131.89429	0.3
139.04028	74.1
140.04379	2.8
164.03555	0.9
276.41031	0.3
282.73541	0.2
343.10123	0.6
345.41895	0.2
354.77151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01379	3.5
65.00333	0.6
70.44940	0.3
70.45324	0.5
71.01393	0.3
71.05027	0.5
73.02959	0.7
74.98953	0.1
78.40640	0.2
81.03465	3.4
83.01376	0.8
86.71176	0.2
93.03477	0.4
95.05036	2.4
97.02963	3.0
98.01309	0.2
101.02410	0.2
107.01406	0.5
108.02190	0.3
109.06618	0.4
111.04514	0.3
113.02480	0.2
113.06080	0.3
113.10880	0.1
119.05061	0.7
121.02969	0.3
122.03723	1.1
124.01679	0.2
125.02466	5.6
125.22853	0.1
135.04573	0.2
137.02559	0.7
137.06105	29.4
138.06435	1.4
139.03122	0.1
139.03978	0.8
148.01733	0.2
149.02464	0.8
151.00435	1.3
163.00415	0.3
163.04005	0.7
173.48300	0.1
177.05606	0.3
181.05083	100.0
182.05421	6.1
190.02702	0.2
191.05627	0.3
205.05072	0.6
223.06125	1.1
228.71774	0.1
238.16554	0.1
247.32745	0.1
316.06738	0.1
343.08289	1.2
352.27490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55565	0.2
71.71727	0.4
79.41032	0.2
96.68793	0.2
100.75333	0.2
121.93037	0.2
128.72313	0.2
135.20575	0.2
172.01628	0.3
186.03221	0.9
187.05429	0.2
199.03987	0.3
214.02721	3.1
215.03394	0.3
223.03992	0.5
226.02960	0.2
227.03555	0.5
228.04376	0.2
229.01408	0.2
230.02165	0.2
241.04962	0.3
242.02206	35.5
243.02754	5.5
244.03514	0.3
255.02927	1.0
256.03772	1.2
257.04507	1.5
267.02966	5.4
268.03351	0.8
281.08215	0.2
282.01715	0.4
283.02454	2.3
284.03104	0.5
285.04044	10.2
286.04315	1.0
297.07745	0.2
307.06079	1.5
308.06577	0.4
309.03970	0.6
325.07117	4.5
326.07504	0.5
343.08237	100.0
344.08569	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	343.0825
Annotation	FR 901235
Peak:m/z	Relative Intensity
59.01365	0.5
63.78032	0.2
66.78436	0.2
68.72194	0.2
69.53777	0.4
69.54176	1.8
89.68293	0.2
93.03471	4.1
98.19718	0.2
107.01402	0.2
109.02922	0.6
117.03514	0.3
133.03017	0.2
135.00937	1.1
137.02455	0.5
145.02975	0.4
145.06613	0.2
154.04323	0.3
155.05099	0.4
157.06653	0.3
161.02446	0.2
163.00381	1.8
164.01146	0.5
165.01933	0.3
167.05060	1.2
169.06557	0.5
170.06897	0.2
171.04523	0.5
173.02364	0.2
175.00406	0.2
175.03952	0.2
183.04437	0.9
184.05396	0.3
185.06136	0.7
189.05591	0.4
190.99847	0.5
195.04533	2.2
198.03294	0.4
199.03932	0.3
200.04695	0.3
201.05525	0.4
210.03224	0.5
211.04015	5.5
212.04517	0.4
213.02017	0.2
213.05557	1.5
214.02689	0.3
215.03529	0.3
223.04028	1.8
227.03465	0.7
228.04204	1.0
229.05022	2.3
238.02672	1.6
239.03506	7.0
240.03960	1.1
241.04985	0.2
242.02211	2.3
243.03003	1.9
250.02701	0.5
251.07172	0.4
254.02187	0.9
255.02953	1.3
256.03748	4.2
257.04550	7.4
258.01785	0.3
258.04779	0.6
266.02197	4.2
267.02972	38.9
268.03351	3.7
269.00745	0.6
269.08209	0.5
271.02448	2.3
272.02954	0.5
273.04034	0.3
279.06531	0.8
281.98926	0.2
282.01663	3.8
283.02188	0.8
284.03119	0.4
285.04056	12.0
286.04459	1.3
297.07724	2.7
307.06137	4.3
308.06458	0.7
309.04041	0.3
310.04614	0.4
325.07172	13.2
326.07553	1.5
334.59384	0.2
343.08240	100.0
344.08569	12.4
348.92670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
65.00330	0.6
65.44179	0.1
71.71876	0.3
73.89027	0.2
95.01379	0.3
108.02189	0.2
111.00887	0.2
121.02988	0.2
124.01686	0.4
129.28017	0.2
132.02165	0.2
133.03038	0.2
136.98819	1.3
139.00354	0.7
145.03000	0.2
146.03769	0.4
148.01636	0.4
150.03326	0.2
161.02422	1.1
162.03236	0.3
174.03253	0.5
177.01952	0.5
189.01950	1.1
190.02747	1.7
200.01169	0.7
201.01903	0.2
202.02794	0.2
202.99904	0.3
217.01468	0.3
218.02193	0.5
228.00513	0.2
229.01317	0.4
230.02245	0.6
242.02335	0.2
245.00900	6.7
246.01630	2.3
257.00839	0.2
272.03098	0.2
273.00397	3.2
273.03799	0.3
274.01178	100.0
275.01505	9.0
285.04092	0.5
288.02274	0.2
325.06976	0.2
343.08267	2.0
343.15524	0.5
343.19250	0.4
343.28400	0.2
344.08484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0824
Annotation	hyperxanthone C
Peak:m/z	Relative Intensity
58.54121	0.1
60.24944	0.2
65.00356	0.2
71.29539	0.3
78.76974	0.2
117.79340	0.2
118.54465	0.2
123.36459	0.2
131.63866	0.2
152.03168	0.2
155.05029	0.2
158.03801	0.3
160.84383	0.2
167.04991	0.3
169.99490	0.2
170.64754	0.2
172.01581	0.3
186.03221	0.7
195.04544	0.4
198.03241	0.3
199.04002	0.7
211.03809	0.2
214.02713	2.7
215.03217	0.5
223.04033	2.1
225.01952	0.3
230.02158	0.3
242.02199	32.1
243.02913	13.9
243.05612	0.4
244.03436	0.8
255.02989	1.3
256.03632	0.5
257.00848	0.2
257.04526	0.7
258.01642	1.4
259.02188	0.2
267.02969	22.7
268.03333	2.3
269.00711	0.2
271.02448	4.5
272.02863	0.5
282.01575	0.4
283.02408	0.5
285.04044	6.7
286.04343	0.6
297.07605	0.3
307.05920	0.2
325.07156	2.7
326.07535	0.4
343.08231	100.0
344.08560	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	343.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52042	0.3
57.07079	0.3
64.58028	0.3
82.85362	0.3
95.01399	0.3
95.69572	0.3
98.19841	0.7
136.77100	0.3
157.06606	0.7
159.04521	0.4
163.04013	0.3
165.01877	0.7
173.06126	1.4
175.04018	0.4
186.03236	0.5
187.03987	0.7
189.05647	0.5
201.05635	3.0
203.03535	0.7
205.05048	1.4
214.02740	0.8
217.05055	0.9
227.03551	0.6
229.05049	5.6
229.51440	0.3
230.02185	1.7
230.05423	0.6
231.02881	1.1
243.02954	6.0
244.03687	4.9
245.04436	2.0
258.01688	3.0
271.02505	0.6
272.03253	10.0
273.04022	100.0
274.04379	8.5
300.79984	0.3
304.02252	0.9
307.06085	1.0
325.07166	1.4
343.08234	58.4
344.08603	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	343.0825
Annotation	UCF 76B
Peak:m/z	Relative Intensity
59.01365	1.1
69.59737	3.0
99.08212	0.4
107.01422	0.4
124.01676	0.8
125.02428	0.7
141.21918	0.3
146.03746	0.3
150.14517	0.3
151.00394	0.9
159.93100	0.3
163.29163	0.3
167.05087	0.4
171.10228	1.9
174.70882	0.3
179.12885	0.4
187.04002	0.8
189.01976	1.1
190.02679	0.4
193.12347	1.3
203.03554	1.1
218.02168	0.6
223.04013	1.4
225.14948	1.2
227.03529	0.8
228.04262	0.5
229.01294	0.7
230.02113	0.7
241.04994	0.4
242.02231	0.6
243.02972	0.7
243.16032	0.4
246.01714	1.2
254.02136	0.6
255.02917	1.1
256.03867	0.6
257.00931	0.9
258.01627	1.0
259.02393	1.0
260.03204	0.5
267.02969	49.8
268.03302	5.0
271.02472	1.0
272.03241	1.8
273.03915	1.2
274.01187	7.6
275.01569	0.9
282.01492	0.5
283.02518	1.4
285.04041	0.5
287.01886	2.3
288.02719	2.2
293.21136	0.4
299.01978	30.2
300.02621	8.2
325.07138	1.2
327.05042	0.7
328.05804	0.8
343.08237	100.0
343.24829	9.6
344.08606	11.2
344.25134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91273	0.2
57.27856	0.2
59.01380	85.4
60.01712	0.9
61.98823	0.3
62.13549	0.2
67.08267	0.2
71.69738	0.2
95.95497	0.2
113.04617	0.4
115.02522	0.3
127.58714	0.2
150.71190	0.2
153.52808	0.2
157.03580	6.1
157.04878	0.3
158.03741	0.7
159.01518	3.9
160.01657	0.3
183.96489	0.2
199.97177	0.2
201.02562	100.0
202.02721	10.0
338.11182	0.2
343.03751	3.4
344.03842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55287	0.2
70.49447	0.2
71.03764	0.6
90.19747	0.2
117.84210	0.2
149.04510	0.2
151.00340	0.3
159.91972	0.2
185.06033	0.2
199.03932	0.4
211.03998	0.4
213.05594	0.9
215.03474	0.7
217.05038	0.3
227.03500	0.3
229.05061	0.3
230.02142	1.2
241.05049	1.4
242.02222	1.0
243.02979	1.6
244.03650	1.2
256.03723	1.8
257.04590	3.7
257.63495	0.2
258.01627	1.1
258.04608	0.3
259.02280	0.4
263.07123	0.7
265.04883	0.3
267.02966	0.5
271.02448	1.7
272.03229	2.9
273.03659	0.5
283.02466	13.4
284.03024	3.3
285.04044	30.2
286.04404	3.2
295.02579	0.3
297.07797	0.3
307.02701	0.5
307.06116	7.4
308.06546	0.7
309.04010	0.4
310.04752	0.4
325.07187	6.7
326.07437	0.9
333.84015	0.3
343.08237	100.0
344.08557	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
57.77553	0.5
59.01380	10.4
69.03461	2.5
71.01382	6.7
76.23817	0.5
83.05032	1.8
84.02176	1.4
85.02963	1.7
88.38431	0.4
89.02456	7.8
89.37894	0.5
89.55545	0.5
95.05022	1.0
96.77593	0.6
97.06604	10.4
98.19737	1.0
99.04520	0.6
101.02440	3.1
112.34293	0.5
113.02470	2.5
119.03499	2.9
125.06129	0.6
125.09729	1.5
137.09778	0.9
143.03590	0.9
149.13292	0.7
156.71725	0.6
157.08713	1.1
161.04547	1.5
166.09950	0.5
167.14467	0.6
171.10291	6.6
175.11304	1.0
177.12875	0.6
179.05661	3.4
179.07031	0.7
185.11848	1.1
193.10658	1.1
193.12373	16.3
194.12791	1.2
203.10870	0.6
211.13400	4.4
215.09288	0.5
221.09731	0.5
221.11856	1.5
223.04016	0.6
225.14989	21.7
226.15291	2.0
227.03506	0.6
229.01375	0.5
242.02202	1.5
243.02913	1.3
243.16017	8.7
253.16388	9.3
254.16541	0.8
258.01782	1.1
267.02969	12.8
267.05728	0.9
268.03308	1.7
273.04080	0.6
283.02457	0.7
291.19608	1.0
297.04001	0.9
341.03018	11.5
341.06693	7.0
341.10544	11.0
341.18195	3.9
341.23349	100.0
342.03339	1.8
342.07098	1.1
342.10941	1.7
342.17828	0.6
342.18872	0.6
342.23685	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87923	0.3
56.04704	0.4
57.03429	0.4
58.99599	0.7
59.01381	2.9
63.02436	0.3
69.03451	1.5
70.54658	1.3
71.01382	1.3
78.70090	0.3
81.03460	0.4
83.05025	1.2
84.02172	4.7
85.02937	0.5
85.06597	1.3
87.28278	0.4
89.02445	1.6
95.01420	0.5
97.02963	1.9
97.06602	6.0
99.04518	0.7
101.02433	0.6
108.02196	1.2
109.79202	0.4
113.02484	0.8
119.03543	0.7
119.08675	0.8
125.09757	0.8
127.11345	0.4
135.08199	0.4
137.09750	0.6
149.13411	0.4
151.00372	0.8
151.11285	0.5
161.02498	0.4
165.12852	0.5
171.04411	0.3
171.10281	14.4
172.10623	0.8
174.03214	1.2
175.11328	0.5
177.12813	0.4
179.05644	0.8
183.13878	0.4
185.02417	0.5
186.03224	1.1
193.12340	10.2
194.12721	0.5
197.06046	0.4
197.15666	0.5
199.04016	0.6
201.01947	0.4
202.02718	1.2
206.55368	0.4
209.06070	0.4
211.13371	1.6
213.01906	0.6
214.02757	3.3
215.03204	0.4
221.11784	0.5
223.07593	0.6
225.05461	0.4
225.14954	12.3
226.15240	1.1
229.01387	1.6
230.02188	8.5
231.02809	1.6
241.08722	0.5
242.02209	4.2
243.02876	2.3
243.15959	4.9
244.03696	0.4
244.16292	0.4
251.07082	1.1
253.05139	1.2
253.16318	34.7
254.16634	3.7
255.03000	0.3
257.00735	0.5
258.01675	35.0
259.02014	3.5
260.31631	0.4
267.06683	0.6
269.00891	0.5
269.04596	1.0
269.08218	1.5
270.01544	0.9
270.05267	0.7
271.02399	1.4
272.03174	0.9
272.16257	0.4
273.03806	0.3
273.18579	0.5
279.06540	0.8
280.03781	1.2
281.04446	0.5
283.02481	9.6
284.02783	1.2
285.07709	0.7
291.19647	1.1
293.04633	0.9
294.05371	3.3
295.06107	5.4
297.04074	10.9
297.07440	0.7
298.01236	11.0
298.04385	1.2
299.01743	1.7
313.07166	32.2
314.07477	4.4
323.05634	4.4
324.06036	0.6
331.22961	0.4
341.06677	100.0
341.17987	18.3
341.23334	71.2
342.07025	13.3
342.18295	2.5
342.23685	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
58.99604	0.8
59.01382	4.2
61.98819	0.4
62.15025	0.3
69.03477	0.4
69.51263	1.7
69.51683	0.8
71.01389	3.5
72.99310	0.3
73.01162	0.3
73.06870	0.3
81.03492	0.3
83.05022	0.5
85.02965	0.7
87.00892	0.3
89.02455	4.0
93.03438	0.3
94.84813	0.3
101.02437	1.9
113.02451	1.1
119.03519	0.9
161.04579	0.4
179.05629	1.3
181.10555	1.2
193.01529	0.3
223.20683	1.2
226.02661	0.3
227.03395	0.5
230.01889	0.3
235.15260	1.6
242.02011	0.5
253.16301	100.0
254.16634	9.7
255.02861	1.6
256.03738	2.3
257.00928	0.7
258.01663	0.6
267.03018	6.5
267.19604	1.5
268.03311	1.0
271.02203	0.3
272.03415	0.7
282.01718	0.3
283.02307	0.8
290.16830	0.5
295.05908	0.4
309.07602	0.9
323.05594	0.6
341.06555	2.5
341.10864	9.0
341.17905	59.5
342.07025	0.4
342.10794	1.3
342.18219	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	341.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66755	0.4
51.69175	0.5
57.03440	0.9
59.01378	5.6
61.98816	0.6
63.21391	0.4
68.99834	0.6
69.03457	0.4
70.34697	0.4
71.01379	2.9
71.05024	5.5
72.99303	0.4
73.02953	6.2
79.05529	0.9
81.03477	0.8
83.01397	1.2
83.05045	1.3
85.02959	0.8
87.00890	0.5
87.04528	1.6
89.02477	2.9
95.01396	0.6
95.05029	1.5
97.02953	1.1
99.04549	3.5
99.08160	3.4
101.02469	1.4
101.06104	4.1
107.05056	0.8
109.02967	5.1
109.06601	1.9
111.04544	2.0
111.08183	0.7
113.02459	1.0
113.06105	0.7
119.03529	1.0
123.04518	2.1
125.02470	1.3
125.06097	10.5
127.04032	5.1
127.07703	0.7
129.05566	0.5
134.06042	0.4
135.04536	0.6
135.08218	0.5
136.05215	0.4
137.02463	1.7
137.06087	1.2
137.09738	0.8
139.04031	0.5
142.69035	0.4
147.06686	1.4
147.08217	0.5
149.02588	0.5
149.09741	0.7
151.04039	4.3
152.04811	2.9
153.01982	1.4
153.09219	1.0
155.10802	1.1
159.06633	0.8
163.04114	0.5
163.11247	0.8
165.05612	0.5
165.09248	1.9
167.10802	2.2
175.07671	1.5
177.01929	0.9
177.09229	0.5
178.02713	2.8
179.03320	0.4
179.05634	0.8
179.07156	1.1
181.05067	0.7
182.02161	2.8
183.10338	0.6
191.03535	1.1
191.10774	2.8
192.08011	0.8
193.08716	16.1
194.09479	1.8
195.06641	0.8
195.10272	2.0
197.08160	2.1
205.05077	1.1
206.05846	0.5
207.10287	5.7
209.08249	2.4
209.11800	2.3
211.09775	9.1
212.10077	0.5
215.09236	4.9
217.08691	1.6
219.06641	1.3
220.07381	0.9
221.11865	0.5
221.15428	1.3
223.06310	0.6
230.02206	1.5
235.09761	40.3
236.10135	3.7
237.07713	1.4
237.11404	0.5
238.08441	7.3
239.08865	0.5
245.00912	0.4
245.08148	0.6
253.10777	7.2
254.11191	0.6
255.03131	0.6
258.01584	3.4
259.02539	0.7
265.14557	0.6
267.12317	2.6
282.01767	0.5
283.02609	0.7
285.13437	6.3
286.13702	1.1
293.01236	0.4
295.62759	0.6
305.13831	2.5
323.15015	4.6
324.15451	0.6
341.07321	7.6
341.16055	100.0
342.07184	0.8
342.16379	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	341.1608
Annotation	Anacine
Peak:m/z	Relative Intensity
55.01858	0.6
57.03443	1.0
59.01378	6.5
61.98823	0.6
64.74596	0.4
68.99836	0.4
69.03439	0.6
71.01388	2.6
71.05027	6.3
73.02954	5.9
79.05540	0.9
81.03469	0.8
83.01386	0.8
83.05046	1.2
85.02956	1.0
85.06598	0.7
87.00888	0.4
87.04524	1.4
87.30383	0.5
89.02451	3.0
95.01385	0.6
95.05029	1.7
97.02961	1.3
98.20634	1.0
99.04524	3.9
99.08165	3.4
101.02460	0.9
101.06091	4.3
107.04991	0.8
108.82383	0.4
109.02966	4.3
109.06594	1.5
110.03736	0.6
111.04539	1.9
111.08156	0.6
113.02424	0.5
113.06087	1.3
119.03519	1.1
123.04559	2.1
125.02468	1.1
125.06104	11.3
127.04023	5.9
127.07649	0.5
129.05632	0.5
135.00945	0.8
135.08194	0.4
137.02448	1.3
137.06139	1.0
137.09755	1.3
139.00356	0.6
145.43974	0.4
147.06613	1.6
149.09668	0.7
151.04030	3.2
151.07680	0.6
152.04782	2.7
153.01923	2.2
153.09227	1.0
154.02698	0.4
155.10764	1.2
159.06607	0.9
163.11362	0.6
165.09230	1.8
167.10786	1.4
175.07652	1.3
177.01924	1.0
177.09242	0.6
178.02742	2.9
178.06284	0.6
179.05606	1.3
179.07129	0.9
180.00792	0.4
181.05060	0.8
182.02208	1.8
183.10260	1.1
191.03604	0.9
191.10815	2.5
192.07956	0.9
193.08707	13.7
194.09334	1.9
195.06639	0.9
195.10309	2.4
197.08208	1.7
205.05066	1.1
207.10289	4.6
208.10506	0.7
209.08162	1.8
209.11842	2.9
210.08469	0.6
211.09764	9.3
215.09254	4.3
217.08699	1.9
219.06648	1.7
220.07361	0.7
221.11865	0.7
221.15463	1.9
229.45076	0.6
230.02173	2.3
231.02814	0.4
235.09763	40.9
236.10091	3.2
237.07722	1.5
238.08453	8.8
239.09010	1.1
239.45973	0.4
242.02139	0.8
243.03056	0.5
245.01239	0.4
253.10817	6.6
254.11110	0.7
256.03812	0.5
258.01682	4.1
259.02258	1.4
265.14526	0.7
267.12357	2.2
279.15714	0.6
283.02530	0.7
285.13391	5.9
297.07727	0.4
305.13934	3.0
323.05560	0.7
323.14993	4.7
341.07205	8.1
341.16064	100.0
342.07077	1.2
342.16388	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	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03447	3.0
58.00601	3.5
59.01384	100.0
60.01722	1.0
62.87235	0.5
71.01391	69.6
72.01743	1.5
72.99332	3.1
73.02949	1.8
75.00871	0.8
83.01414	2.2
85.02961	9.3
87.00887	4.2
89.02459	88.0
90.02810	1.8
93.03461	1.4
95.01406	3.7
99.00906	0.8
99.04535	1.1
101.02460	33.4
113.02473	27.2
119.03528	28.2
120.03847	0.7
125.02476	1.0
131.03526	4.1
135.04561	6.8
137.02457	1.0
143.03543	9.5
149.04578	5.5
161.04585	12.8
179.03548	7.0
179.05635	35.5
180.05933	1.2
191.05775	0.9
297.92752	0.6
341.10925	51.9
342.11224	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	341.1091
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01886	1.2
57.03457	2.4
58.00603	3.7
59.01382	100.0
60.01709	0.8
69.18958	0.6
70.46870	2.1
71.01390	66.1
72.01728	1.7
72.99316	4.3
73.02956	2.2
75.00890	2.6
83.01401	1.9
85.02962	8.9
87.00893	4.7
89.02460	77.4
90.02788	1.4
93.03413	0.7
95.01409	3.4
96.96015	0.7
97.02963	0.8
99.00919	0.9
101.02465	32.9
107.03548	0.7
113.02474	28.2
114.02769	0.9
119.03530	29.4
125.02454	1.6
131.03543	4.7
137.02454	0.7
143.03537	8.5
149.04620	4.3
161.04601	9.3
179.05641	37.9
180.06390	1.1
238.72777	0.6
291.77325	0.6
334.24619	0.6
341.10931	55.6
342.11243	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	341.109
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01876	1.0
57.03452	1.6
58.00595	3.8
59.01381	100.0
60.01723	1.1
71.01388	70.4
71.70792	0.4
72.01727	1.5
72.99317	3.4
73.02954	2.1
75.00877	0.8
80.46474	0.3
83.01405	2.1
85.02961	10.0
87.00883	3.6
89.02455	80.1
90.02780	1.3
95.01397	4.1
97.02984	0.5
99.00920	0.5
101.02457	33.3
102.02840	0.7
107.03522	0.8
113.02464	24.8
114.02812	0.8
115.04114	0.3
119.03520	29.1
120.03848	0.7
125.02453	1.0
131.03510	4.0
143.03522	8.5
149.04565	3.1
161.04579	9.9
179.05627	36.3
180.05905	1.4
341.10898	52.6
342.11279	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	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
52.83406	0.4
57.03445	0.5
59.01385	5.7
60.99294	0.4
62.10243	0.3
62.77089	0.3
62.92484	0.4
67.01896	4.2
69.03455	1.2
71.01393	6.1
71.28439	0.4
71.28786	0.8
74.74135	0.4
81.03476	1.1
82.79588	0.5
83.01395	0.6
83.05043	1.0
85.02973	1.3
87.00885	0.8
89.02464	4.2
91.01917	2.7
93.03474	26.2
94.03779	1.0
101.02478	1.9
108.02198	1.7
109.02958	1.1
111.00911	1.1
111.03780	0.6
111.04510	4.2
113.02467	1.6
119.03506	1.5
123.04543	8.2
124.04906	0.5
134.03741	0.7
135.04546	24.9
136.04889	1.0
137.02451	4.5
143.03491	0.5
152.01207	1.2
155.03517	3.6
161.04599	0.6
167.03526	18.1
168.03865	1.0
173.04576	100.0
174.04915	4.8
179.03523	22.6
180.03857	1.3
191.05618	1.0
219.38109	0.4
246.16917	0.4
273.30209	0.4
341.08502	7.1
342.08759	0.5
358.09799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.103
Annotation	celebixanthone
Peak:m/z	Relative Intensity
59.01379	1.4
63.68484	0.3
69.49919	2.8
71.01386	1.1
86.18449	0.3
88.68664	0.3
89.02472	1.3
101.02457	0.4
104.50052	0.2
113.02435	0.4
123.04599	0.2
156.22496	0.3
177.45102	0.3
179.05594	0.4
199.03981	0.5
211.03926	0.6
227.03430	0.7
230.02242	2.0
239.03471	3.6
241.01347	0.8
242.02191	0.4
243.02960	7.6
244.03450	0.7
255.03003	1.4
258.01724	2.1
271.02463	43.5
272.02802	4.1
282.01785	0.4
283.02469	95.6
284.02820	7.8
284.05933	0.4
285.03976	1.4
293.04562	1.2
294.05267	1.6
295.05585	0.3
296.03302	0.3
297.04001	2.7
297.07559	1.0
298.08215	0.4
307.06110	8.3
308.06644	1.7
309.07672	19.5
310.07947	2.1
311.05612	2.7
312.05908	0.4
325.07147	4.4
326.07938	20.6
327.08243	2.3
341.10303	100.0
342.10611	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	341.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
68.49293	0.3
70.37116	0.3
71.01373	0.7
71.05653	0.9
89.02442	1.3
100.18602	0.3
101.02446	0.6
113.02446	0.5
119.03566	0.4
131.61572	0.3
137.42232	0.3
161.51733	0.3
168.05775	0.4
171.90532	0.3
179.05586	0.9
183.04510	0.6
186.03302	0.4
197.06079	0.7
199.04001	0.6
212.04799	1.7
213.01913	0.5
225.05560	0.7
227.03505	6.9
228.04272	5.6
229.01385	1.3
240.04276	0.8
241.05049	13.8
242.05389	1.3
243.02979	1.1
255.02974	48.6
256.03726	46.4
257.04080	4.1
267.02963	1.1
269.04529	54.9
270.04935	6.4
271.06094	7.2
272.03775	0.3
272.06601	0.8
283.02466	4.8
283.05734	0.4
284.02710	0.7
291.06488	0.3
293.04581	0.9
294.05243	0.4
298.08566	0.5
307.06256	0.6
308.06918	0.5
309.07593	1.5
310.07858	0.3
323.09323	1.5
326.08057	0.7
341.10306	100.0
342.10654	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01377	4.0
61.98854	0.4
70.04227	1.6
71.01388	2.8
73.02975	0.3
83.01370	0.3
85.02991	0.7
87.00921	0.4
89.02446	3.9
91.29534	0.3
93.03483	1.0
101.02462	1.3
107.05060	1.0
109.02991	0.3
110.05457	0.2
110.18086	0.2
113.02469	1.2
119.03573	1.2
123.04533	0.8
134.03758	2.2
135.04541	90.5
136.04871	5.1
137.02464	1.0
150.29974	0.3
151.00339	0.4
158.27388	0.3
161.02444	0.4
161.04570	0.5
167.03557	1.2
173.04578	3.4
177.01950	0.4
178.02748	0.6
179.03516	100.0
180.03853	5.8
189.01915	0.6
219.02924	0.3
316.51001	0.2
341.08707	14.6
342.09018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.05090	0.2
59.01379	2.9
61.98829	0.3
66.67307	0.2
67.77458	0.2
70.57262	0.5
70.57684	0.7
71.01384	2.3
73.43114	0.2
85.02959	0.4
89.02446	2.1
93.03471	0.6
94.68965	0.2
101.02445	1.4
107.05048	0.7
113.02479	0.9
117.03477	0.3
119.03497	0.7
133.03064	0.3
134.03751	1.8
135.04543	80.8
136.04865	4.1
137.02460	0.7
143.03539	0.4
143.91438	0.2
161.04581	0.3
166.69849	0.2
173.04550	0.7
178.30231	0.2
179.03514	100.0
180.03854	5.7
209.65140	0.2
236.62964	0.2
290.44333	0.3
341.08762	1.1
341.11084	0.9
342.08994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25560	0.4
54.97438	0.4
58.55379	0.4
59.01379	5.9
61.32684	0.4
61.98817	0.4
65.00333	0.5
70.26867	1.5
71.01389	4.0
72.99311	0.6
80.91698	1.5
85.02961	0.6
89.02458	4.6
89.03989	0.8
91.01877	0.7
95.05038	1.7
101.02492	2.3
103.05549	1.0
105.03467	0.6
108.02196	0.8
109.02969	16.7
110.03234	0.5
113.02484	1.2
117.03477	1.0
119.03518	1.6
119.05054	1.5
121.02980	0.8
122.03724	0.5
123.04544	13.9
133.02945	3.5
135.04559	0.6
145.02982	1.2
147.04546	4.9
148.01740	0.4
149.02489	1.0
150.03239	1.5
151.04025	6.4
153.90060	0.4
159.04512	1.7
160.01582	0.4
161.02495	2.1
161.04567	0.6
162.03224	1.1
163.04080	0.6
171.76898	0.4
175.04007	0.7
176.01102	1.0
177.01952	22.1
178.02303	1.6
179.05704	2.1
187.04083	2.0
188.04802	0.4
189.01958	52.0
190.02693	14.2
191.03514	9.4
192.03917	0.4
194.19963	0.4
201.01985	0.8
203.03537	5.6
216.00642	8.6
217.01422	28.7
218.01976	2.7
218.54114	0.4
219.02998	11.7
220.03246	0.4
222.01733	0.6
228.40927	0.4
229.05009	0.4
231.02992	8.9
232.03638	1.3
233.04515	0.8
243.02945	1.0
244.03711	0.5
258.01556	0.9
272.03317	0.7
281.04535	1.3
282.05054	0.4
283.02505	0.5
297.07816	1.5
314.96716	0.3
322.85855	0.5
323.05869	1.9
323.09235	0.5
341.06702	100.0
341.60864	0.9
342.06973	11.2
342.10608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50317	0.4
59.01138	0.4
59.01380	4.9
61.98825	0.7
70.25932	0.7
70.26339	1.5
71.01384	3.8
73.02943	0.5
77.78976	0.5
86.46360	0.4
89.02461	3.5
93.17129	0.4
101.02450	1.9
113.02457	1.3
117.03445	0.6
119.03493	1.6
119.05087	0.4
119.17281	0.4
119.81814	0.4
120.17834	0.3
125.09741	0.4
127.11275	0.4
141.03517	2.6
147.04544	0.7
149.02257	0.4
151.00343	0.7
157.02969	1.3
159.00848	0.4
161.02504	0.8
168.49228	0.4
171.10284	0.7
177.01825	0.5
179.05647	1.6
179.31583	0.4
184.49435	0.3
185.02454	5.2
189.01915	0.6
201.01907	2.4
201.11368	3.5
213.01999	0.6
229.01425	35.3
230.02011	5.8
241.01392	1.2
242.02061	0.5
243.03212	0.6
255.03026	0.4
257.00906	29.7
258.01611	7.5
259.02246	2.3
273.00562	0.7
283.02490	0.8
285.00415	90.8
286.00751	7.1
295.06073	0.7
297.04224	0.4
297.07779	0.7
297.20700	1.7
307.06390	0.5
323.05670	1.5
324.06451	0.4
325.07236	0.7
341.06689	100.0
341.19687	5.2
342.07047	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	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06820	0.2
57.03446	0.3
57.40856	0.2
59.01378	5.1
61.98820	0.4
70.02938	1.2
71.01391	3.9
83.01354	0.3
85.02969	0.4
87.00877	0.3
89.02448	4.2
98.20650	0.3
101.02459	1.7
104.95304	0.3
113.02442	1.6
117.03487	0.7
119.03553	1.6
121.02976	0.4
127.11315	0.4
141.03500	2.4
143.72786	0.3
147.04572	0.3
151.00345	0.4
157.02937	1.1
161.02451	1.1
161.04617	0.5
171.10254	0.6
173.02444	0.5
179.05597	1.9
185.02460	4.3
186.03159	0.4
189.01955	0.4
197.02396	0.3
201.01988	2.3
201.11313	3.5
202.02507	0.4
209.11865	0.4
213.01926	0.6
214.02579	0.3
229.01419	36.6
230.01955	4.8
231.02451	0.3
241.01399	0.8
242.02094	0.6
257.00903	28.4
258.01608	8.2
259.02371	2.4
267.02939	0.9
270.01822	0.4
273.00385	0.5
283.02502	1.1
285.00406	87.5
286.00742	7.7
295.06052	0.6
297.20685	1.9
323.05566	1.8
325.07199	0.6
341.06683	100.0
341.19681	5.4
342.07022	11.0
342.10678	0.3
342.20151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
71.01385	1.1
71.30097	0.8
73.14422	0.3
75.42184	0.3
79.70094	0.3
81.54891	0.3
89.02454	1.2
108.02192	1.0
109.02955	0.4
109.66911	0.3
113.02441	0.4
146.03690	0.3
151.00388	0.4
161.02449	0.5
174.03265	1.4
179.05666	0.4
185.02493	1.6
186.03233	1.9
187.04018	0.5
201.01939	0.5
202.02786	1.7
203.03453	0.8
210.90968	0.3
211.03951	0.4
213.01964	0.9
213.05392	0.3
214.02667	0.5
215.03510	1.9
217.01372	0.3
228.56934	0.3
229.01442	3.7
230.02213	37.3
231.02730	3.5
235.09688	0.4
239.03493	0.9
241.01343	0.6
257.00916	0.6
258.01688	66.9
259.02347	17.5
260.02795	1.1
267.03006	7.2
268.03326	0.8
273.00409	3.9
279.06619	0.9
283.02515	0.5
285.00363	1.2
286.00732	0.3
294.05640	0.3
323.05646	5.4
324.06113	0.5
341.06686	100.0
342.07047	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
69.73141	0.5
69.73551	0.6
71.01374	0.4
79.05531	0.2
83.01378	0.1
84.25164	0.2
85.02919	0.2
89.02431	0.5
113.02506	0.2
119.03497	0.4
125.06065	0.2
125.60307	0.2
138.00781	0.1
142.58775	0.2
163.11174	0.2
179.05647	0.3
198.50175	0.1
215.03517	0.3
221.15450	0.4
223.07489	0.2
230.02299	0.2
233.04546	0.2
235.09808	0.4
238.08235	0.1
251.07135	0.3
255.06677	0.4
258.01712	0.5
279.06631	2.9
280.03790	0.3
280.06873	0.3
281.04520	0.8
282.04813	0.2
283.02481	5.7
284.02798	0.5
295.06296	0.2
297.07684	0.9
299.05713	0.3
323.05627	22.2
324.05997	2.9
325.03543	23.4
326.04004	2.5
341.06683	100.0
342.07013	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	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98820	0.1
64.56788	0.1
65.00343	0.3
65.03977	0.2
66.80191	0.1
67.01908	0.2
68.99837	0.1
71.01384	0.6
71.72291	0.1
71.72651	0.1
77.03987	0.2
79.01888	0.1
79.05569	0.1
81.03461	0.2
83.01398	0.2
85.02935	0.2
89.02464	0.7
89.03983	1.0
91.01910	0.8
91.05533	0.1
93.03454	0.5
95.01398	0.1
95.05042	2.0
95.68034	0.1
99.01028	0.1
101.02450	0.3
101.04025	0.1
102.04773	0.2
103.05559	1.2
104.02656	0.1
105.03475	0.8
108.02187	0.8
109.02972	21.3
110.03294	0.9
113.02477	0.3
115.05569	0.3
117.03490	1.3
118.04315	0.1
119.01504	0.1
119.03553	0.2
119.05041	1.8
120.05350	0.1
121.02982	1.2
122.03800	0.8
123.04546	18.6
124.04878	0.8
130.04279	0.1
131.03505	0.1
131.05026	0.3
132.02219	0.2
133.02982	4.0
134.03908	0.4
135.00912	0.8
135.04539	0.3
137.02505	0.2
137.06108	0.1
139.03947	0.2
143.03561	0.1
145.02980	2.2
146.03780	0.4
147.04549	5.9
148.01712	0.6
148.04886	0.2
149.02469	0.8
150.03249	1.8
151.04036	8.5
152.04372	0.4
153.01970	0.1
158.03746	0.2
159.04547	2.1
160.01633	0.1
160.04900	0.1
161.02469	3.4
161.04538	0.2
161.06091	0.2
162.03249	1.2
163.04056	0.6
164.04257	0.1
165.01956	0.2
173.02467	0.5
174.03232	0.1
175.04007	0.6
175.07744	0.1
176.01154	1.2
176.04677	0.1
177.01953	27.7
178.02290	1.5
179.05635	0.3
185.02483	0.1
187.04031	1.8
188.01164	0.2
188.04718	0.3
189.01958	68.5
190.02684	17.3
191.03514	13.5
192.03874	0.8
194.02182	0.1
201.01958	0.7
203.03522	7.3
204.03860	0.5
205.05110	0.2
211.04019	0.2
213.01944	0.2
213.05600	0.1
214.02655	0.2
215.03578	0.2
216.00652	9.9
217.01428	36.7
218.01967	3.7
219.02997	14.7
220.03336	1.0
222.01622	0.4
225.05632	0.2
227.07155	0.2
229.01384	0.2
229.08650	0.2
231.02991	11.1
232.03526	1.5
233.04512	1.2
237.05606	0.2
238.06364	0.1
251.07211	0.1
253.05176	0.1
253.08630	0.1
254.05760	0.1
255.03114	0.1
255.06664	0.2
264.04202	0.1
265.05069	0.2
269.08121	0.2
277.05173	0.1
279.06732	0.2
280.04010	0.1
281.04553	1.1
282.05002	0.2
295.06024	0.2
297.07651	1.0
297.10858	0.1
298.08014	0.1
305.04526	0.3
308.03445	0.2
323.05634	1.9
324.05890	0.2
341.06680	100.0
342.07007	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	341.0668
Annotation	8-Hydroxygalangin 7-methyl ether 8-acetate
Peak:m/z	Relative Intensity
59.01306	7.9
63.02353	1.0
68.84953	0.7
71.01311	6.4
85.02898	1.1
85.14034	0.7
89.02450	8.1
101.02377	3.2
113.02375	2.5
117.03405	0.8
119.03420	2.2
127.70006	0.7
137.02391	0.8
140.71477	0.7
143.03490	1.1
143.04976	2.4
145.02892	3.0
155.04930	2.0
158.03693	1.6
159.04439	1.2
161.02431	0.7
161.04553	1.5
162.05832	0.7
170.03688	1.0
171.04439	2.5
172.01604	1.3
179.05580	3.2
182.03691	2.4
183.01257	0.8
183.03238	0.7
183.04501	7.3
185.02460	4.2
186.03133	2.5
189.05507	1.3
198.03131	1.9
199.03938	3.4
211.03865	3.2
211.05766	1.0
212.01193	1.3
213.01826	1.5
214.02731	7.9
215.03310	1.3
223.04031	0.9
225.01971	1.0
226.02615	2.6
227.03542	7.7
228.03667	0.8
229.01372	2.8
230.02068	1.0
235.15092	0.8
239.03511	7.1
241.01282	1.5
241.14421	1.3
242.02197	23.0
243.02568	2.0
253.08792	0.8
253.16266	3.5
255.02980	43.5
256.03369	3.8
257.00879	5.2
258.01288	1.3
267.03000	6.7
270.01947	0.9
271.02328	0.9
281.04477	2.7
282.01697	3.2
282.05029	1.1
283.02475	100.0
284.02780	8.5
297.04364	1.2
297.07697	20.4
298.08041	2.9
310.68604	0.7
313.07092	1.1
323.05484	0.8
323.22302	1.2
341.06723	40.9
341.10748	5.4
341.17688	8.6
342.06985	4.7
342.18362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06310	0.4
51.35447	0.4
57.03449	0.3
58.22766	0.3
59.01384	2.6
69.03445	0.9
69.58756	3.0
71.01383	2.0
73.82957	0.4
81.56545	0.3
82.85395	0.3
83.05020	0.6
84.02164	5.2
85.06597	1.4
85.46673	0.3
89.02454	1.2
95.05061	0.4
97.02956	1.3
97.06593	4.5
98.19930	0.9
99.04550	0.9
101.02444	0.6
108.02171	1.1
117.40199	0.4
119.08652	0.6
135.08218	0.7
145.03067	0.5
151.00366	0.4
171.10274	12.3
172.10683	0.6
174.03261	0.8
175.11343	0.5
179.05644	1.1
183.04393	0.5
183.13916	0.4
185.02419	0.6
186.03198	1.3
193.12355	5.6
197.15378	0.4
202.02698	1.1
211.13361	1.1
213.01959	0.8
214.02661	3.1
215.03397	0.4
223.07655	0.6
225.05443	0.5
225.14963	8.3
229.01384	1.7
230.02188	8.6
231.02831	1.3
242.02209	4.0
243.02846	1.9
243.15945	2.7
244.03676	0.6
251.07045	0.9
253.05069	1.1
253.16318	28.2
254.16638	1.8
255.03122	0.5
257.00818	0.6
258.01682	30.3
259.02075	2.9
269.04630	1.0
269.08295	1.4
270.01688	1.0
270.05322	0.9
271.02438	1.2
272.03116	0.4
279.06583	1.2
280.03885	1.0
283.02472	9.5
284.02948	0.4
285.07571	0.5
291.19626	1.0
293.04431	0.4
294.05408	3.7
295.06113	5.1
296.06604	0.8
297.04071	10.8
297.07431	0.6
298.01288	8.9
298.04462	1.2
299.01746	0.9
313.07181	29.5
314.07565	3.5
323.05612	4.8
324.05984	0.4
341.06680	100.0
341.18002	14.9
341.23340	55.4
342.07007	11.7
342.11130	0.7
342.18338	1.5
342.23727	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	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01376	2.8
59.71196	0.3
61.57096	0.3
64.11979	0.2
65.00327	1.3
69.03461	0.3
71.01385	1.6
71.05054	0.8
79.34714	0.3
80.74789	0.3
81.03500	0.3
83.01400	1.6
83.05030	0.3
84.02184	4.7
84.79617	0.3
85.02940	0.3
88.38987	0.3
89.02457	1.8
97.02971	1.7
97.06610	0.4
99.04534	1.2
101.02449	0.6
102.73087	0.3
107.01403	1.3
109.02964	0.6
113.02451	0.5
119.03490	0.6
119.08715	0.6
125.02486	2.3
125.06081	0.3
127.11271	0.6
135.08145	0.4
137.09763	0.3
143.03502	0.4
151.00385	3.4
157.06618	0.3
157.08696	0.4
159.04567	0.7
161.04544	0.3
161.05998	0.3
161.39841	0.3
167.05084	0.3
171.10287	13.7
172.10690	0.3
173.18460	0.3
174.03185	0.5
177.01927	0.3
179.05608	0.9
186.92210	0.3
187.04068	0.5
189.05621	1.6
193.12360	0.4
195.04535	0.4
195.08153	0.6
197.06155	0.3
201.01968	0.4
207.08115	0.6
209.06116	0.5
213.05545	0.3
214.02788	0.3
215.03568	1.0
223.04002	1.4
223.07716	1.0
225.02130	0.4
225.05537	0.7
225.14946	0.8
227.03421	0.3
236.04652	0.3
239.03535	0.3
239.07182	0.9
241.05154	0.4
241.08958	0.3
242.02219	0.8
243.02910	0.6
251.07202	0.6
253.05104	0.7
253.16359	3.7
255.02968	0.6
255.06465	0.6
257.04541	0.4
257.08182	0.7
258.01752	1.0
261.05780	0.4
267.02975	31.9
268.03302	2.9
269.04584	0.4
274.01291	0.8
275.01837	0.3
277.05173	0.5
279.06616	2.7
281.04532	1.6
282.01614	0.3
283.02423	1.5
285.07755	0.4
286.01080	0.3
294.05188	0.3
295.06122	0.9
297.04105	1.0
297.07507	0.4
298.01270	0.9
299.01990	0.4
299.05258	0.3
305.04730	0.7
306.05490	0.3
309.04034	0.6
311.02045	5.6
312.02466	0.6
313.07129	0.9
322.04907	1.4
323.05621	24.0
324.05991	2.8
325.03571	3.1
326.04181	2.3
341.06702	100.0
341.10419	19.0
341.18149	2.3
341.23312	25.0
342.07010	11.3
342.10776	1.6
342.23602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52958	0.6
54.92938	0.4
58.99604	0.7
59.01374	2.3
63.48325	0.5
66.02386	0.5
69.03443	1.4
70.86884	1.7
71.00252	0.5
71.01381	1.4
79.42918	0.5
83.05052	0.8
84.02176	3.9
85.06596	0.6
86.64590	0.6
89.02460	1.1
97.02972	1.3
97.06592	4.7
99.04556	1.1
108.02148	0.9
119.03499	0.7
125.09692	0.7
126.74059	0.5
129.81645	0.5
151.00453	0.6
161.04604	0.6
165.12778	0.6
171.10295	13.0
174.03238	0.7
186.03326	0.7
193.12354	7.8
200.66090	0.5
202.02820	1.2
211.13396	2.1
213.01865	1.0
214.02689	2.2
215.03392	0.6
225.05652	0.7
225.14941	11.1
226.06259	0.6
229.01370	2.1
230.02180	9.9
231.02757	0.8
242.02260	4.2
243.02979	1.8
243.15959	4.5
249.05632	0.6
251.07199	0.5
253.04964	1.3
253.16306	32.2
254.16638	2.9
255.02805	0.6
258.01675	33.2
259.02112	2.3
269.04773	0.8
269.08194	1.9
270.01804	1.0
270.05148	1.0
271.02554	1.3
272.03186	1.0
273.18530	0.7
279.06662	0.6
280.03882	1.0
281.04865	0.6
283.02484	8.6
283.05539	1.0
284.02814	0.5
291.19797	1.1
294.05396	3.4
295.06030	4.6
297.04041	10.9
298.01251	10.7
298.04401	1.0
299.01688	0.9
313.07153	28.7
314.07523	2.3
323.05643	4.4
324.06210	1.0
341.06686	100.0
341.17987	18.6
341.23343	62.5
342.07037	12.1
342.18338	1.4
342.23758	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95818	0.3
59.01381	100.0
60.01723	1.3
61.98844	0.6
69.93852	2.3
71.01389	3.8
73.02961	1.2
83.01406	0.4
83.05022	0.4
85.02950	3.1
87.00903	0.5
89.02441	0.8
93.03457	2.1
94.03806	0.8
98.20622	0.4
99.00887	0.8
100.44865	0.4
101.02460	3.8
111.04562	1.5
112.04906	0.5
113.02490	1.6
119.05048	26.6
120.05389	11.7
121.05676	5.4
122.05788	0.4
127.04169	0.4
127.96939	0.4
133.03017	1.1
134.81137	0.3
151.98677	0.3
155.03539	1.2
157.03941	0.5
161.04582	3.8
163.04041	34.3
164.02913	0.4
164.03120	0.2
164.04379	20.5
165.04555	22.7
166.04810	0.8
173.04614	1.3
174.04916	0.8
175.05067	1.3
176.04111	0.5
177.01936	7.5
191.05637	7.2
192.05928	3.9
193.06096	7.8
279.14502	9.2
339.10260	2.9
360.25986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
60.88007	0.2
61.25652	0.2
61.28454	0.2
66.92099	0.2
70.55699	0.2
71.01390	0.6
79.39803	0.2
89.02446	0.7
98.19894	0.4
101.02427	0.3
107.01332	0.3
109.02962	0.2
111.04530	0.8
113.02476	0.4
119.03462	0.2
125.02488	0.3
135.04521	0.5
136.30394	0.2
151.00389	0.6
161.02409	0.2
174.03192	0.4
175.03978	0.3
179.03508	0.8
179.05641	0.4
185.02438	0.5
186.03181	0.5
189.05531	0.4
199.03970	0.4
203.03589	0.3
213.05678	0.3
214.02747	0.5
215.03407	0.2
227.03462	0.2
229.01442	3.6
230.02197	9.5
231.02661	0.8
241.01509	0.2
242.02264	1.3
243.02975	20.7
244.03720	12.7
245.04131	1.1
251.07097	0.5
253.08664	0.7
253.16269	0.4
255.02890	0.4
255.06606	0.9
256.03595	0.4
257.00900	0.3
257.04648	0.4
258.01691	12.5
259.02020	0.9
269.00793	0.2
269.08237	0.5
270.01898	0.3
271.02460	6.7
272.03244	16.7
273.03653	1.4
279.06580	1.6
280.03781	0.9
280.06650	0.3
281.04520	1.8
282.05188	0.7
283.02487	4.2
284.03177	0.3
285.04059	2.9
285.07266	0.2
295.06006	1.0
297.04404	0.3
297.07669	4.2
298.01147	0.9
298.08105	0.4
299.01974	0.9
299.05411	0.3
304.02319	1.2
309.04019	0.5
312.02734	0.3
313.07162	5.8
314.07611	0.6
323.05630	13.2
324.05850	2.0
325.03519	0.7
341.06680	100.0
342.07004	10.7
346.39688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.5
61.98829	1.0
63.96225	2.1
71.01368	1.1
72.99335	2.1
74.99097	3.3
75.46236	0.8
79.01903	12.1
87.00897	1.1
87.04537	2.0
95.01402	1.2
98.19839	2.0
111.00903	1.1
111.04534	41.3
117.16541	0.9
117.97363	1.7
123.00822	1.7
123.08199	1.4
124.01659	2.6
125.02393	1.0
135.98380	3.4
143.07164	30.4
144.07483	1.5
151.00375	19.7
151.04025	4.4
165.05588	2.8
166.06361	16.2
169.08716	1.0
170.86429	0.9
171.10263	1.4
173.06094	1.0
184.59361	1.0
194.05858	35.7
194.07642	1.9
195.06250	3.1
198.05354	24.5
199.05705	1.3
200.95372	0.9
215.07103	1.1
225.77647	1.1
237.07536	1.1
239.07141	1.4
241.14513	1.2
249.33612	1.2
253.04953	1.2
255.06496	1.6
263.12866	100.0
264.13242	9.4
267.06512	2.3
275.50940	0.9
281.04681	1.0
283.06104	2.7
289.17993	1.2
295.06046	2.2
296.03244	2.1
311.05640	3.8
321.20670	1.7
339.05121	50.1
339.08292	1.9
339.16275	5.2
340.05554	5.9
340.98788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0875
Annotation	Dihydro-O-methylsterigmatocystin
Peak:m/z	Relative Intensity
51.06945	0.4
56.90727	0.4
57.33858	0.4
59.01376	4.1
60.41022	0.4
61.98831	0.5
62.16631	0.4
63.02425	0.5
71.01365	0.4
71.72462	0.8
97.33598	0.4
183.04538	0.8
207.60307	0.5
211.04102	0.6
227.03531	2.6
235.07761	0.6
237.05539	1.3
239.03372	0.5
240.04047	0.5
241.05034	1.3
254.05870	0.7
255.02977	55.4
256.03311	4.2
263.07159	1.0
264.04218	1.8
265.04980	2.0
267.02997	1.2
269.04593	3.6
278.05908	0.5
279.06628	24.9
280.07025	2.8
281.04553	35.9
282.05029	3.1
283.02484	4.4
296.06982	0.8
306.05374	1.8
307.06119	38.9
308.06473	4.5
309.04117	8.1
312.06348	1.0
324.06451	5.5
339.08749	100.0
339.32761	0.6
340.05313	0.8
340.09088	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1658
Annotation	18-Cooh-19,20-ltb4
Peak:m/z	Relative Intensity
55.01868	2.5
57.03442	2.1
59.01383	6.4
61.98819	3.5
64.07364	1.0
67.01886	1.4
67.41074	1.2
69.03450	6.4
71.01391	1.0
71.05003	1.1
71.05734	2.2
71.06077	1.2
73.02968	1.1
80.02679	9.8
81.03459	4.1
83.01397	1.7
83.05017	2.1
85.02972	3.1
85.06599	100.0
86.06947	2.6
87.04523	12.8
93.03489	5.5
95.05040	9.2
96.96034	1.0
97.02969	14.2
97.06611	3.1
99.04523	2.9
105.07095	1.9
107.05042	3.5
108.02155	1.1
108.90242	1.1
109.02966	1.8
109.06568	1.2
111.04535	16.9
111.08159	4.4
113.06109	5.1
119.05037	12.3
121.06627	10.1
122.21376	0.9
123.00922	2.1
123.04552	1.9
123.08170	6.8
124.01680	13.2
125.02457	1.8
125.06078	2.0
127.07666	1.7
134.33278	1.2
135.04562	1.1
136.05302	1.5
137.02463	4.9
137.06075	1.9
137.09679	1.1
139.07645	2.3
139.11273	3.0
149.06093	5.5
152.04770	2.9
163.04028	21.6
163.11316	12.9
164.04289	1.3
165.09262	1.1
167.07161	71.1
168.07478	2.2
173.04524	1.1
175.07545	0.9
177.09276	1.1
179.10751	2.1
179.14417	1.2
181.05081	2.2
181.12337	2.0
183.13924	12.9
184.03709	1.6
184.14201	1.1
184.81294	1.0
187.75021	1.0
191.05670	11.0
192.07933	1.4
200.13211	0.9
205.12329	7.8
207.10286	20.8
221.19221	1.6
223.13417	1.7
231.17509	1.9
233.15514	1.6
249.59590	1.1
275.16522	12.5
276.16830	1.8
293.17575	34.7
294.17923	3.3
301.16556	5.8
336.99561	1.1
337.13412	2.3
337.16556	59.6
338.16843	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	337.1658
Annotation	Ankalactone
Peak:m/z	Relative Intensity
53.47687	0.5
55.01875	0.6
57.03427	0.5
59.01379	4.2
60.97544	0.9
61.98824	0.6
68.99830	0.8
71.01393	0.7
71.05008	0.6
75.00883	3.7
79.01908	3.1
80.49583	0.5
81.03461	0.5
83.05056	0.8
84.02166	0.8
85.02977	0.9
85.05609	0.4
93.03442	1.1
95.01408	0.5
95.05046	0.6
96.96040	0.8
98.20630	1.2
98.88251	0.5
99.08183	0.7
101.06069	1.5
104.79749	0.5
108.02200	2.4
108.64812	0.4
109.02967	2.4
109.06590	1.2
111.04525	2.0
119.05042	6.6
120.94737	0.5
121.06662	1.0
122.03737	1.9
123.00884	0.5
123.08179	1.2
124.01684	2.3
125.02502	3.6
125.06100	20.5
126.02815	0.4
126.06419	0.5
126.72331	0.4
127.07750	0.5
129.04932	0.4
135.08165	1.8
136.05287	0.7
137.02463	1.9
137.06108	1.8
137.09744	1.8
139.04030	0.8
139.07658	2.0
149.06134	0.8
149.09735	1.6
151.00381	8.5
151.04099	0.5
151.07663	1.7
152.00720	0.5
152.04820	2.2
154.06380	2.0
155.07190	4.3
157.08710	0.5
159.08189	0.6
163.04027	12.0
164.04434	0.7
165.05556	2.2
165.09250	1.2
165.79768	0.4
167.03474	0.6
175.07712	0.5
176.08444	0.8
177.05554	1.9
177.09171	1.1
179.03522	0.7
179.07208	1.1
180.04239	0.5
180.07965	6.2
181.05032	1.5
183.02997	1.1
185.08180	2.8
191.05618	6.3
191.07195	1.6
191.10855	0.6
192.07950	1.6
193.05031	0.5
193.08699	10.2
194.09322	1.6
208.07414	12.4
209.08195	19.4
210.08580	1.8
212.06912	8.9
213.07521	1.2
217.16013	2.1
219.10277	0.8
219.58363	0.4
224.06975	0.6
233.15414	2.9
243.13957	0.8
257.04590	0.8
261.14941	13.5
262.15283	1.5
263.16531	3.2
267.08743	0.5
277.14456	24.4
278.14685	2.2
293.17535	1.4
305.14066	2.6
337.16550	100.0
338.16922	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	337.1658
Annotation	Ankalactone
Peak:m/z	Relative Intensity
56.21629	0.4
57.03430	1.0
59.01377	5.4
65.25554	0.5
68.99814	1.5
69.94378	1.1
69.94788	2.2
75.00882	2.7
79.01904	2.8
81.03441	0.4
85.02966	0.6
85.06596	1.2
93.03463	1.0
95.01381	0.7
96.96063	0.5
99.08123	0.7
101.06097	1.5
108.02167	3.2
109.02982	2.5
109.06586	1.2
111.00867	0.6
111.04538	2.2
112.59168	0.5
119.05055	6.2
121.06603	0.9
122.03744	1.6
123.08152	1.0
124.01658	2.9
125.02486	3.0
125.06093	15.3
126.06447	1.0
135.08214	1.2
136.05359	0.9
137.02499	2.4
137.06091	1.9
137.09732	1.8
139.04037	0.8
139.07646	1.4
141.09261	0.6
149.06119	0.8
149.09735	1.6
151.00401	7.9
151.07683	1.1
152.04805	1.5
154.06363	1.9
155.07140	3.5
163.04027	11.1
164.04755	0.9
165.05563	2.3
165.09189	1.2
175.07726	0.6
176.08455	1.0
177.05576	1.6
177.09161	0.9
179.07169	1.0
180.07957	5.5
181.05072	0.7
181.08595	1.0
183.03067	1.9
183.06613	1.2
185.08211	2.2
191.05597	4.7
191.07178	1.4
192.07857	2.0
193.05066	1.2
193.08707	9.6
194.09370	1.1
207.06531	0.8
208.07414	12.4
209.08182	21.5
210.08549	1.3
212.06926	6.7
213.07651	1.1
217.15993	1.8
219.10167	1.2
224.06947	0.6
233.15410	2.3
251.09256	0.6
261.14960	13.2
262.15247	1.7
263.16473	2.9
267.08664	1.2
277.14474	22.7
278.14850	2.0
293.17462	0.9
305.13879	2.8
319.15457	1.5
337.16537	100.0
338.16913	10.4
340.22592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1084
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
50.04418	0.7
56.32458	0.6
59.01379	4.5
68.99842	0.7
70.69751	0.9
70.70109	2.1
81.91050	0.6
93.03470	0.9
95.01455	0.7
96.84834	0.6
111.04618	0.9
119.05077	5.5
119.05865	0.9
125.02477	0.8
125.06161	2.4
137.02487	0.8
145.03036	1.5
157.03011	0.9
161.02444	0.8
162.03281	2.1
163.04039	8.5
168.12177	0.6
169.06725	0.8
173.04610	1.1
177.05603	4.2
191.05655	4.3
193.06616	0.7
195.08185	2.1
205.06728	0.9
206.07411	1.7
207.08170	5.2
208.05322	1.5
208.07404	0.8
209.06128	1.3
209.08209	1.5
217.06685	1.3
222.06856	1.8
223.07613	4.6
224.07063	1.0
233.06133	2.0
234.06854	3.6
235.03969	2.1
235.07631	13.4
236.08218	1.3
237.05597	3.4
250.06400	2.2
251.07111	13.1
251.09732	0.9
252.07388	1.3
252.36462	0.7
261.05618	2.0
261.14981	0.9
262.06250	1.7
263.07101	6.9
264.07742	0.8
266.09512	6.5
266.93750	0.8
277.14456	1.9
278.05917	3.1
279.06631	86.1
280.06970	7.9
280.09845	0.9
289.05109	1.3
290.05765	1.9
291.06641	38.3
292.07288	11.9
293.08261	3.6
294.08990	7.5
295.09357	0.8
305.08188	6.4
306.05692	1.7
306.08948	30.8
307.06152	100.0
307.09473	8.7
308.06509	11.5
321.07718	14.7
322.08466	57.1
323.08676	5.1
335.61270	0.8
337.10831	74.6
337.16296	7.7
337.19574	3.6
338.11249	9.2
338.15317	0.8
338.16809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.02048	0.1
57.03444	0.2
59.01372	0.9
60.01711	0.1
60.99321	0.2
62.01456	0.1
66.80539	0.2
67.01890	0.4
69.03457	0.3
69.89435	0.7
71.01382	0.6
81.03452	0.2
81.62367	0.1
83.05015	0.2
85.02959	6.4
87.00877	1.6
93.03471	3.9
98.19957	0.2
99.04533	0.3
101.12374	0.1
109.02972	0.6
111.04533	1.2
111.42846	0.1
117.03467	0.3
119.05039	1.8
127.04030	1.7
137.02509	0.2
145.02971	0.9
155.03517	0.3
163.04025	1.5
164.04283	0.2
171.03026	0.4
173.04582	1.8
191.05626	100.0
192.05975	4.0
204.75255	0.2
337.09338	2.5
338.09979	0.3
354.36810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73299	0.4
64.43403	0.4
66.88544	0.4
72.64278	0.4
83.05025	0.4
85.02984	1.6
93.03466	2.4
105.19936	0.4
105.75511	0.4
108.05070	0.4
111.04528	0.9
119.05045	32.3
120.05381	0.9
145.02950	0.5
155.03500	1.1
163.04031	100.0
164.04362	5.7
173.04601	5.1
176.19438	0.6
191.05629	35.3
192.06071	1.1
209.03780	0.4
232.11728	0.4
279.86148	0.5
337.09299	11.4
338.09708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
69.95256	1.9
76.35098	0.3
83.05027	0.4
85.02948	0.7
93.03481	1.9
98.20522	0.4
111.04540	1.1
119.05046	27.5
120.05382	0.7
155.03510	1.9
163.04027	100.0
164.04359	4.6
173.04572	4.3
191.05624	11.9
192.05907	0.4
280.85474	0.3
337.09293	7.1
338.09625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01880	2.2
57.03439	5.6
58.52857	1.1
59.01384	20.7
70.20098	3.6
70.20512	1.9
71.01389	25.1
73.02943	4.0
73.09670	1.1
75.00875	0.9
83.01396	3.1
85.02962	35.7
86.03297	1.0
87.00885	13.3
89.02464	9.2
93.03461	2.6
95.01404	2.3
95.20644	0.9
98.19950	1.1
98.95343	1.0
99.00890	2.9
100.44595	0.9
101.02459	8.3
106.70728	0.9
111.04549	2.2
112.98866	1.5
113.02458	13.2
113.99609	2.7
115.00392	27.2
119.05046	46.5
120.05386	2.2
127.00409	6.6
127.04068	0.8
131.03514	2.9
143.03549	1.0
155.03535	3.1
157.01369	1.5
159.03008	1.2
161.04558	4.0
163.04028	100.0
164.04350	5.3
173.04565	4.1
174.01721	3.8
175.02499	61.6
176.02808	1.7
179.05646	2.1
191.05675	8.8
247.05093	1.0
277.05637	4.0
337.07733	30.0
338.08258	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	336.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57994	0.8
57.03446	0.8
59.01368	3.2
59.61247	0.7
61.98833	36.7
66.87006	0.7
70.32703	3.8
76.97604	0.7
93.03477	0.8
94.95406	0.7
109.28369	0.7
111.04546	1.8
119.05090	4.0
121.06636	1.1
122.06969	1.1
125.06083	2.7
125.15659	0.7
142.02361	0.8
156.85793	0.8
163.04028	9.3
191.05638	4.8
193.95065	0.8
209.08159	1.7
214.02646	0.7
242.02190	2.7
257.04507	3.5
258.01678	65.0
259.01984	4.1
261.15234	0.8
263.20886	1.1
273.04028	100.0
274.04324	9.9
277.14124	1.2
302.33539	0.8
335.15170	1.6
335.18658	3.5
336.15259	5.1
336.19022	3.2
337.16571	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	337.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40212	0.2
59.01388	1.7
61.98822	0.2
71.72549	0.4
82.93659	0.2
83.41747	0.2
85.02963	0.3
87.00882	0.3
87.04446	0.2
93.03452	0.3
111.04556	0.7
119.05051	2.1
158.03693	0.3
163.04044	3.4
170.03778	0.2
172.01675	0.3
186.03232	1.2
191.05630	1.8
198.03252	0.3
214.02722	1.7
231.78008	0.2
242.02225	58.4
243.02525	5.9
244.29346	0.2
257.04556	100.0
258.04892	9.8
268.19504	0.3
336.18958	0.3
337.00244	27.9
337.16397	2.6
338.00549	3.3
338.16913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70185	0.3
54.96375	0.3
59.01379	3.2
61.98841	0.7
76.48095	0.4
77.84087	0.3
85.02936	0.3
87.00873	0.5
93.03480	0.6
94.12524	0.3
94.19798	0.3
96.96052	0.5
98.19923	1.0
111.04510	0.5
117.03463	0.6
119.05038	4.8
121.03028	0.4
121.05093	0.4
128.71658	0.3
145.02966	1.9
155.03555	0.4
158.03755	2.7
163.04042	8.3
164.04404	0.6
170.03761	12.7
171.04080	1.0
173.02469	2.7
173.04523	0.4
186.03223	5.2
187.00374	3.5
187.03506	0.5
191.05620	4.9
192.05975	0.4
197.02489	0.7
198.03244	11.3
199.03555	1.1
213.01956	1.7
214.02724	9.6
215.03093	0.7
229.35698	0.4
232.40886	0.4
242.02208	80.0
243.02559	6.1
248.95093	0.4
257.04547	100.0
258.04852	8.5
278.33264	0.3
321.97879	0.3
336.18915	0.4
337.00229	61.0
337.16495	1.4
338.00510	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	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02966	1.2
55.01876	3.7
57.03445	8.4
58.37509	1.1
59.01376	23.6
59.23535	1.1
67.67513	1.1
67.70961	1.6
68.99837	1.3
69.03443	1.4
70.11076	6.9
71.01390	34.7
72.99308	1.4
73.02953	7.8
75.00881	1.9
83.01384	6.8
85.02962	46.2
86.08751	1.2
87.00887	25.2
89.02445	12.4
93.03469	3.9
94.50458	1.3
95.01385	2.9
97.02971	1.4
99.00887	5.8
101.02460	13.5
102.05634	1.4
103.04026	2.3
104.55955	1.1
111.00904	2.5
111.04578	1.7
112.98833	2.4
113.02476	21.1
113.06122	3.1
113.99610	16.4
115.00390	44.1
119.03503	5.1
119.05032	3.0
127.00408	11.3
127.04019	1.3
129.01959	3.0
131.03496	3.7
137.02393	2.1
139.00372	1.7
143.03502	3.1
145.01418	2.2
145.06252	2.0
146.04605	3.2
149.90451	1.1
157.01436	8.2
157.05069	2.4
161.04578	7.1
163.04010	3.7
173.04535	5.6
174.01715	15.0
175.02499	98.0
175.06050	5.6
176.02847	3.6
179.05644	3.1
191.05675	3.3
200.81120	1.3
277.05664	16.5
289.05511	2.5
332.72165	1.2
337.07770	100.0
338.08066	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	335.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03439	1.3
59.01379	13.8
61.98837	4.0
65.00280	0.4
67.39310	0.3
68.99852	0.4
69.03444	0.5
71.01389	13.3
71.72285	0.8
72.99306	0.9
73.02958	2.6
75.00889	0.7
75.49471	0.4
83.01392	3.1
85.02972	4.9
87.00899	0.8
89.02451	2.3
89.02953	0.5
95.01392	0.8
97.02965	1.5
97.06596	0.5
99.00914	1.1
101.02458	7.0
108.02181	0.5
109.02933	0.4
109.06622	0.4
111.00912	0.8
111.04523	0.9
112.20083	0.4
113.02477	3.1
115.12854	0.4
116.57127	0.4
119.03545	0.6
121.06607	0.5
124.01653	0.8
125.02474	1.3
125.06078	0.5
127.11333	2.4
135.04536	1.1
137.02513	1.3
151.00403	0.9
153.02011	0.4
155.10822	2.3
161.02432	1.1
173.11845	36.9
174.12184	1.8
191.07239	0.9
193.01480	2.1
193.08781	0.7
215.12953	0.5
224.90860	0.4
230.02219	0.5
258.01706	3.0
268.77866	0.4
272.99973	0.3
273.01080	0.5
273.04062	5.8
317.16211	2.0
318.16348	0.4
330.90396	0.4
334.60056	0.4
335.04132	5.3
335.17181	100.0
336.04318	0.5
336.17563	9.3
336.21255	0.7
342.39615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1864
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
52.36190	0.3
53.80877	0.4
57.03439	0.9
57.15902	0.3
59.01367	0.4
63.22988	0.3
65.00317	0.4
67.01878	0.5
68.99821	1.7
69.03453	0.5
70.17233	0.3
70.97575	1.1
71.01362	0.4
71.05025	1.7
79.05525	0.4
80.02705	1.0
81.03455	2.6
81.07108	0.7
83.05046	0.7
83.54720	0.3
84.63794	0.4
85.02954	0.4
85.06617	0.4
93.07071	0.6
95.01382	1.1
95.05032	1.0
97.02975	0.8
97.06604	1.3
99.08171	4.1
101.06100	1.6
106.04260	0.6
108.02174	0.8
109.02994	2.1
109.06605	5.8
111.00908	1.0
111.04530	0.6
121.05786	0.6
121.06608	7.9
123.04514	0.6
123.08191	3.3
125.02465	1.2
125.06107	23.6
126.06457	1.1
127.07662	1.3
133.06625	0.7
135.04541	0.5
135.08212	0.8
136.05312	1.4
137.06093	1.6
137.09724	1.5
139.04060	0.5
141.09250	0.6
147.08188	2.9
151.07693	0.5
153.01964	0.7
153.09256	0.7
161.09682	0.6
163.07700	0.6
163.11253	1.2
165.05580	0.5
165.09224	5.6
167.03433	0.4
179.07042	0.4
180.07936	0.5
181.08664	1.3
182.02235	0.5
183.06665	1.2
191.07121	0.6
191.10799	1.0
193.08681	1.2
195.06648	15.9
196.06944	1.1
204.11504	0.5
209.08199	10.6
210.08408	0.4
228.79642	0.3
233.11909	0.7
237.07643	1.6
238.08437	5.2
239.08684	0.4
247.13348	0.5
251.13062	0.4
259.05856	0.4
273.07529	0.5
273.14880	0.3
273.18671	0.8
289.14291	0.5
291.12314	3.9
317.13943	2.9
317.17361	0.7
335.14935	31.7
335.18622	100.0
336.15237	3.6
336.18958	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1503
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
56.49192	0.4
57.03441	0.6
59.01374	2.3
61.98830	1.3
68.99836	0.6
69.43852	0.8
69.44260	3.5
71.01375	2.1
71.05019	1.8
74.12457	0.4
79.01940	0.9
81.03464	0.8
83.05058	0.6
85.02988	0.5
95.05053	0.6
97.06604	6.4
99.08164	3.2
101.02451	0.6
101.06091	0.6
106.04279	0.7
107.01381	0.5
107.59381	0.4
109.02971	6.7
109.06598	2.7
111.04547	0.8
112.01714	0.4
113.02457	0.7
119.03514	0.6
121.02969	0.8
121.06612	14.5
122.06985	0.7
124.01669	0.7
125.02471	1.2
125.05204	0.8
125.06103	12.9
126.05627	0.9
127.07672	0.7
135.00914	0.5
135.08180	0.9
136.05367	0.7
137.02432	0.7
137.06102	1.6
137.09721	0.9
147.08185	0.9
149.02457	0.6
150.03233	0.8
151.07649	1.1
153.01923	1.6
154.02705	0.6
155.10744	0.7
161.02422	0.5
163.04005	1.1
163.07721	2.0
164.04797	2.5
165.01976	0.9
165.05544	1.3
165.09225	4.4
174.12883	0.7
175.04044	0.6
177.05643	0.6
177.09209	0.6
180.04219	0.8
181.04942	0.4
182.02208	1.1
187.07605	0.5
189.05658	0.7
190.06326	0.6
191.07115	2.4
191.10812	0.6
193.08739	8.5
194.09076	0.8
195.06654	1.0
203.03516	0.6
205.08722	1.4
207.06575	0.5
207.10318	0.6
208.07408	0.5
209.08170	3.7
211.09712	0.6
219.06694	2.2
220.07111	0.5
237.07622	2.1
238.08458	9.5
239.08852	0.6
245.15393	0.7
247.13460	1.2
248.16519	1.8
259.09860	0.6
263.12927	0.8
265.04568	0.7
271.13400	1.0
273.07782	1.1
273.11600	0.7
273.14990	1.1
274.14551	1.6
288.09991	0.9
289.14447	2.0
291.12405	7.8
291.15570	0.3
292.12534	0.8
292.15631	1.0
317.14090	2.0
318.13562	1.7
335.15002	100.0
336.15176	13.3
344.32462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1502
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
55.56804	0.4
57.03442	0.9
59.01353	0.9
60.25349	0.5
61.98824	0.7
67.58334	0.4
68.99820	0.6
69.03442	0.7
70.87669	1.1
71.05022	0.5
81.03462	0.5
83.05028	0.7
85.06603	2.3
87.04564	2.5
95.05034	0.7
96.06689	0.4
97.06558	0.6
99.00894	1.2
99.08169	1.2
106.04247	0.5
109.02987	1.1
109.06604	1.1
111.00858	0.5
111.04540	28.3
111.08102	0.6
112.04916	0.6
113.06078	0.5
121.06638	0.6
123.08168	1.8
125.02474	1.9
125.06114	5.7
135.04561	1.1
137.02463	0.6
137.09769	0.5
151.03987	1.5
152.04819	4.3
153.05598	2.3
158.48450	0.5
161.02490	0.9
165.05580	1.2
167.07182	2.2
177.01903	0.9
177.09134	0.6
177.12875	0.9
178.02747	1.5
179.03510	3.5
179.10820	3.3
180.04314	10.2
180.11159	0.5
181.04868	1.1
183.06647	1.1
193.08766	0.7
195.06728	0.9
205.08681	0.9
207.06679	1.9
209.08154	3.3
221.08202	3.6
221.11774	2.1
222.08987	43.6
223.09505	5.3
224.06955	0.7
235.09778	1.3
238.08292	0.9
247.09795	1.1
247.17029	5.9
248.06900	2.6
248.17380	0.6
265.10837	1.1
279.56207	0.5
291.12833	0.8
291.15988	5.8
291.19189	0.6
292.16214	0.7
296.73676	0.5
303.15964	0.6
317.14029	1.6
335.15033	100.0
335.18713	15.9
336.15372	13.0
336.19046	1.7
336.22424	0.6
340.81860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0774
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.17837	0.2
54.65752	0.2
57.03456	0.2
59.01385	5.0
60.99310	0.6
61.98832	3.2
67.01892	2.4
67.98389	0.3
68.08511	0.2
69.38155	0.3
69.38477	2.8
71.01383	1.3
83.05038	0.3
83.98916	0.3
89.02460	0.5
93.03471	12.6
94.03812	0.4
95.01400	0.2
97.02971	0.3
99.00888	0.4
101.02452	0.4
105.03455	0.4
107.05030	0.3
109.02979	0.5
109.78669	0.2
111.04543	1.8
113.02483	0.5
113.06117	2.0
115.60101	0.2
117.03502	0.3
124.01688	0.3
125.02511	0.4
132.02191	0.9
133.02980	26.3
134.03435	1.0
135.04547	28.4
136.04897	1.3
137.02455	1.3
137.06078	0.6
139.04012	0.3
151.00381	0.3
155.03545	0.4
161.02467	100.0
162.02806	5.5
165.63765	0.2
169.01476	0.6
173.04601	2.0
179.03542	5.2
179.05809	0.3
183.02979	0.3
205.05197	0.3
273.03845	0.3
311.64703	0.3
335.07739	47.2
336.08087	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26737	0.3
57.03442	1.6
59.01378	1.9
59.75801	0.3
70.07553	1.2
71.01382	1.2
76.18371	0.3
81.03405	0.3
83.05033	5.2
84.68592	0.3
85.02956	0.9
89.02458	0.7
92.21888	0.3
93.03477	1.8
95.01416	0.4
101.02488	0.6
109.06600	1.1
111.04532	1.0
111.08173	49.0
112.08517	1.9
113.02475	1.8
113.04861	0.2
129.09235	2.2
133.02953	0.9
134.03748	0.4
135.04550	4.6
137.02470	0.6
153.09207	1.6
155.03535	0.5
155.07135	0.4
161.02466	2.4
161.04506	0.4
161.55438	0.2
173.08205	100.0
174.08549	6.3
179.03526	4.9
187.09778	1.2
197.08182	4.9
215.09210	2.0
255.30841	0.3
335.07672	1.0
335.13498	1.1
336.08347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.8
59.01384	2.1
65.81223	0.6
68.99836	0.7
70.30614	3.4
71.05025	1.4
71.44996	0.7
73.23207	0.6
79.01904	2.6
83.01388	4.6
83.05034	1.2
85.02961	3.6
85.06599	0.8
87.30058	0.7
95.01366	0.8
95.05088	1.0
99.88905	0.6
100.95695	0.7
103.47811	0.6
107.05067	0.6
109.02979	1.6
111.00908	2.1
111.04553	7.5
113.02433	2.0
121.06543	0.7
125.02492	1.9
127.04073	1.2
137.02452	1.8
150.03255	0.9
151.11320	2.4
152.04793	1.5
153.01952	5.3
155.03535	11.2
162.06895	0.9
166.02753	1.4
167.03510	1.0
177.02040	0.6
177.12936	0.7
184.19637	0.7
186.01717	1.0
187.07671	1.4
192.04361	0.7
193.05144	0.9
195.03069	2.6
196.03757	4.5
202.09944	0.9
203.03464	1.5
203.07172	8.7
203.10776	1.3
204.07816	2.6
205.08635	0.7
207.06624	1.1
218.09491	0.9
219.17487	1.5
221.08221	8.2
221.15463	2.9
222.08653	0.9
231.06635	4.4
231.13916	1.2
245.08218	1.0
246.08984	7.9
247.09752	6.5
247.16901	0.7
249.07719	2.0
249.15129	1.5
264.09805	0.9
271.16776	0.8
273.14987	2.2
287.16608	1.0
289.14661	1.0
289.21707	7.9
315.16049	12.9
316.16428	1.7
318.14813	1.5
320.43344	0.7
333.17087	100.0
333.20563	6.4
334.13635	1.5
334.17358	12.1
334.21063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
57.03437	0.3
59.27728	0.1
64.03370	0.2
69.53179	0.3
69.53587	1.3
71.05022	0.4
83.01380	0.2
89.79160	0.1
108.86974	0.1
111.04530	0.2
122.03720	0.2
124.01685	1.0
124.02482	0.2
125.02454	1.7
126.02794	0.2
136.01686	0.2
137.02502	0.2
150.03258	0.3
151.04010	0.7
151.11244	0.3
152.01178	0.4
153.01958	3.4
154.02715	0.4
167.03491	1.8
178.02699	0.3
180.00638	2.3
181.01367	0.8
195.02997	3.5
196.03775	100.0
197.04118	5.0
219.17538	0.3
221.08261	0.7
264.10037	0.3
289.21753	0.6
315.16101	0.3
333.17078	12.9
333.20636	1.1
334.17441	1.4
334.20801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.8
55.02093	0.4
57.03449	6.1
59.01375	0.6
65.80822	0.3
68.99797	0.5
69.03460	0.8
69.86821	2.6
71.05019	4.4
72.23625	0.4
83.05038	0.5
91.21094	0.4
97.02945	0.5
97.06538	0.4
98.20547	0.5
99.00859	0.4
107.05003	0.4
111.04505	2.8
119.08705	0.8
121.06615	0.7
123.08160	2.8
124.98721	0.4
125.09770	0.9
133.06700	0.4
133.10239	0.5
135.08202	0.7
137.06085	0.6
137.09740	2.3
139.11285	0.5
149.09760	0.9
151.11304	29.5
152.11638	2.1
152.98277	0.9
153.01949	1.8
161.09695	0.5
163.11304	1.9
167.03644	0.4
176.92004	0.4
177.50114	0.4
181.01469	2.3
191.10818	1.1
196.03781	5.3
197.04187	0.4
203.14427	1.4
219.14151	0.7
219.17532	12.9
220.17918	1.5
221.15468	7.5
222.15729	0.4
231.17578	0.5
233.15327	0.7
271.20642	1.8
289.21722	100.0
290.22070	13.0
290.24606	0.3
333.13226	0.7
333.17130	8.5
333.20905	1.2
334.17395	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	333.2073
Annotation	Sinulariolide
Peak:m/z	Relative Intensity
50.53721	0.4
55.01874	1.3
57.03449	43.9
58.03777	1.2
59.01382	4.5
69.03457	2.0
70.74055	1.1
71.05025	39.4
72.05341	0.8
73.02946	0.4
79.05547	0.6
81.03471	0.8
83.05049	1.7
90.39826	0.5
93.07104	3.2
95.05043	1.5
97.02971	2.1
97.06602	4.1
105.07085	0.5
107.05028	0.6
109.06596	1.6
111.04533	2.3
111.08172	1.9
119.08672	1.3
121.06628	4.2
121.10274	2.1
123.04568	0.5
123.08202	2.7
133.06610	1.0
133.10251	0.6
135.08171	1.0
137.09744	1.9
139.07689	2.4
139.11305	13.4
140.11632	0.6
145.10231	1.0
147.08191	1.4
147.11813	0.8
149.09741	4.2
151.07660	0.6
151.11301	12.1
152.11626	0.9
159.08150	0.5
161.09679	0.8
163.07669	0.7
163.11305	8.1
165.12848	1.2
167.10701	0.5
173.09749	1.9
175.11362	0.7
177.09193	1.0
178.99872	0.7
179.10799	2.5
185.13394	0.7
191.10783	8.0
192.11121	0.6
193.05103	0.6
201.16431	0.7
203.14407	9.3
204.14777	1.0
209.11833	2.3
215.14415	0.7
217.12315	1.0
219.17543	31.6
220.17827	2.5
221.11816	1.8
221.15480	25.7
222.15814	2.0
225.79784	0.4
231.17543	8.7
232.17949	0.9
233.15489	1.3
265.14417	2.5
271.20532	2.1
272.21088	0.5
287.19949	0.7
289.18375	3.1
289.21710	53.6
290.22104	7.5
333.20706	100.0
334.21036	13.6
351.88803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04701	0.3
51.26664	0.3
55.01883	0.3
57.03445	2.8
59.01379	0.7
61.72374	0.3
64.22243	0.3
65.03937	0.4
67.01874	0.8
67.06379	0.3
68.99813	0.3
69.03442	0.4
70.64004	0.5
70.64404	0.7
71.01380	0.3
71.05031	2.5
79.01896	1.1
79.05532	0.7
83.01390	4.2
85.02972	0.4
95.05036	2.2
96.40263	0.3
97.02975	0.6
107.05053	1.9
109.02936	0.6
111.04549	2.8
119.05038	0.4
121.06602	6.3
122.06933	0.3
123.04539	3.1
123.08193	0.4
125.02492	0.7
125.06083	0.9
135.04514	0.4
137.06117	2.3
137.09679	0.4
139.04010	0.6
139.07608	0.5
139.11324	0.7
145.06639	0.3
147.04559	1.4
148.05215	0.3
149.06104	0.5
151.04018	5.5
151.11298	3.0
152.04607	0.4
161.06119	0.5
163.03999	0.8
163.07661	7.1
163.11349	0.4
164.08025	0.7
165.05582	13.1
166.05966	0.7
167.03473	0.3
177.01976	0.9
177.05669	0.3
177.09215	0.6
178.06319	0.4
179.03464	0.6
179.07123	1.1
179.10771	0.4
180.04257	0.4
181.05093	1.3
181.12340	1.2
189.05562	1.0
190.74867	0.3
191.03516	4.4
191.10771	0.4
192.03995	0.3
193.05072	8.1
193.08690	0.6
194.05807	2.0
198.05376	0.5
203.07196	1.3
203.14461	0.4
205.05118	0.8
206.05722	0.4
207.06633	42.0
208.06990	2.8
218.09474	0.3
219.17574	2.2
221.08192	25.2
221.15485	1.2
222.08629	2.0
229.85678	0.3
233.08157	0.3
245.11905	0.3
246.08830	0.9
249.11218	0.3
263.12854	1.3
264.10022	4.5
265.10464	0.5
265.14633	0.3
273.14944	0.3
289.18365	0.6
289.21716	11.4
290.22110	1.2
303.19724	0.6
315.15958	1.4
315.19455	0.5
333.17081	100.0
333.20587	6.4
334.17410	10.7
334.20923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
57.13319	0.1
59.01370	0.1
67.05531	0.2
68.99818	1.0
69.03461	0.2
71.01388	0.4
71.65654	0.1
71.71857	0.2
79.01887	0.7
85.06599	1.3
95.01398	0.1
95.05054	0.3
96.02188	0.2
97.02970	0.1
109.06588	0.2
110.00122	0.2
111.00895	0.4
111.04533	22.5
111.08152	0.5
112.04852	0.9
123.00873	0.7
123.08179	0.3
124.01670	0.4
125.02485	0.2
131.18256	0.1
133.06586	0.2
137.02495	0.2
139.04012	1.0
139.07652	0.4
149.09789	0.2
151.00380	1.6
151.04021	4.1
152.04848	0.5
159.11761	0.1
160.04410	0.1
161.09743	0.2
163.07684	0.2
165.05569	1.4
166.06371	2.3
167.06918	0.2
179.03500	1.5
180.04248	0.2
181.05084	0.3
184.03810	0.2
190.06340	0.2
193.05057	1.3
193.12337	0.7
194.05852	5.9
195.06332	0.7
198.05359	4.1
198.07233	0.2
199.05701	0.1
201.12927	0.3
203.10846	0.3
207.06615	1.7
208.06990	0.3
245.11856	0.2
263.12860	1.9
264.13327	0.2
281.37839	0.1
289.18137	0.4
289.22067	0.1
315.15955	1.0
333.17062	100.0
334.17395	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	333.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01366	0.2
65.00302	0.1
68.99820	1.1
69.77927	0.2
69.78330	0.6
71.01383	0.5
71.05022	0.3
79.01891	0.8
85.06607	1.5
87.04507	0.2
91.23388	0.1
94.49100	0.1
95.01402	0.3
95.05035	0.3
96.02201	0.2
97.02960	0.2
97.96848	0.1
109.06602	0.2
110.00078	0.2
111.00918	0.2
111.04533	21.6
111.08155	0.5
112.04862	0.7
123.00903	0.5
123.08164	0.2
124.01704	0.5
125.02419	0.1
133.06627	0.2
135.08171	0.1
137.02534	0.3
137.06133	0.3
139.04030	0.8
139.07687	0.5
146.39104	0.1
149.09712	0.2
151.00398	1.6
151.02847	0.2
151.04024	3.8
152.04758	0.5
161.02434	0.1
161.09805	0.2
163.38257	0.1
165.05597	1.3
166.06386	1.9
175.07661	0.1
178.06358	0.2
179.03484	1.6
180.04272	0.2
181.05099	0.4
184.03757	0.3
189.05620	0.3
190.06422	0.1
191.07085	0.1
191.14407	0.1
193.05078	1.3
193.12352	0.7
194.05852	5.8
194.38579	0.1
195.06529	0.6
198.05354	3.6
199.05576	0.2
203.10767	0.4
207.06679	1.3
208.07063	0.3
217.12350	0.1
219.06621	0.1
219.14046	0.1
233.08086	0.1
245.11903	0.1
263.12888	1.9
273.14841	0.3
277.08142	0.1
289.18057	0.3
289.21494	0.2
315.15991	1.0
316.16470	0.1
333.17072	100.0
334.17410	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	333.1706
Annotation	NSC 302301
Peak:m/z	Relative Intensity
57.03448	1.3
57.25325	0.1
59.01373	0.2
59.08696	0.1
67.05537	0.1
67.61394	0.1
68.99827	1.2
69.03459	0.2
71.01392	0.6
71.05023	2.8
71.72664	0.1
72.05346	0.1
79.01900	1.0
83.05029	0.2
85.02979	0.1
85.06594	1.5
85.55981	0.1
87.00906	0.1
87.04522	0.3
93.03469	0.1
95.01408	0.3
95.05044	0.2
96.02190	0.2
97.02959	0.2
99.00854	0.1
109.02964	0.2
109.06608	0.3
110.00115	0.1
111.00916	0.3
111.04535	22.0
111.08152	0.4
112.04865	0.8
113.06112	0.1
119.04970	0.1
119.08673	0.1
121.06618	0.2
123.00885	0.6
123.04575	0.1
123.08166	0.3
124.01691	0.4
125.02492	0.5
125.06082	0.2
128.01117	0.2
133.06631	0.3
135.08162	0.2
136.98843	0.1
137.02495	0.3
137.06097	0.1
137.09731	0.2
139.04024	0.9
139.07692	0.4
139.11304	1.1
140.04364	0.1
147.08231	0.1
149.09715	0.2
151.00403	1.6
151.04033	4.2
151.07637	0.1
151.11337	0.1
152.00912	0.1
152.04840	0.5
158.10764	0.1
159.11754	0.1
161.09741	0.2
162.06879	0.1
163.07620	0.1
165.01906	0.1
165.05574	1.1
166.06342	1.4
167.06885	0.2
175.11305	0.2
177.01971	0.1
179.03516	1.5
179.07098	0.2
179.10789	0.1
180.04236	0.2
181.05061	0.4
181.12263	0.1
183.21992	0.1
184.03809	0.4
189.05673	0.1
190.06390	0.2
191.07025	0.1
191.14426	0.1
193.05081	1.2
193.08673	0.2
193.12384	0.6
194.05852	5.6
195.06415	0.6
198.05360	4.3
198.07224	0.1
199.05667	0.3
200.03336	0.1
201.12874	0.2
203.10814	0.6
205.08746	0.3
206.09460	0.1
207.06639	1.7
207.10262	0.1
208.07272	0.2
219.06638	0.1
219.10294	0.1
219.14058	0.1
219.17461	0.2
221.08228	0.3
221.15416	0.1
223.09592	0.1
226.04886	0.1
233.08109	0.2
235.09776	0.1
245.11845	0.2
247.09630	0.1
249.11432	0.2
263.12854	1.7
264.13211	0.1
271.17160	0.1
275.66190	0.1
289.18234	0.2
289.21744	1.1
290.21936	0.1
291.16037	0.2
297.15054	0.1
305.17499	0.1
315.16010	1.1
315.19461	0.1
316.16382	0.1
333.17072	100.0
334.17407	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	333.1703
Annotation	NSC 302301
Peak:m/z	Relative Intensity
50.78747	0.1
55.01889	0.1
55.80450	0.1
57.03449	1.2
59.01383	0.1
60.25433	0.1
65.00331	0.2
67.01890	0.1
67.05532	0.2
68.23135	0.1
68.99818	1.2
69.03452	0.1
69.76464	0.1
70.00805	0.3
71.01379	0.5
71.05008	0.1
79.01891	0.7
81.03410	0.1
83.05032	0.1
83.50224	0.1
85.06602	1.6
86.06955	0.1
87.04526	0.1
88.86753	0.1
93.03477	0.1
94.88860	0.1
95.01399	0.2
95.05038	0.2
96.02168	0.1
97.02959	0.2
98.19958	0.1
107.05034	0.1
109.02972	0.1
109.06595	0.2
110.00101	0.2
111.00945	0.3
111.04531	25.1
111.08126	0.3
112.04878	0.8
113.06126	0.1
119.05031	0.1
121.06573	0.1
123.00901	0.6
123.08144	0.3
124.01715	0.5
125.02474	0.1
126.93454	0.1
133.06612	0.2
135.08205	0.1
136.98833	0.1
137.02441	0.2
137.06104	0.1
139.04018	0.8
139.07695	0.3
147.08276	0.1
149.06044	0.1
149.09726	0.2
151.00389	1.6
151.04021	4.4
152.04822	0.6
154.56737	0.1
159.11763	0.1
161.02397	0.1
161.09770	0.2
163.00397	0.1
163.07655	0.1
165.01883	0.1
165.05579	1.3
166.06355	2.0
167.07132	0.1
168.81136	0.1
175.07640	0.1
175.11250	0.1
177.05582	0.1
177.12892	0.1
179.03497	1.6
179.07062	0.1
180.04201	0.2
181.05017	0.3
184.03830	0.3
190.06384	0.2
191.14439	0.2
193.05087	1.6
193.12378	0.6
194.05855	6.3
195.06427	0.5
198.05350	4.5
198.07216	0.1
199.05627	0.2
201.12833	0.2
203.03519	0.1
203.10762	0.4
207.04665	0.1
207.06625	1.7
208.07152	0.2
217.12440	0.1
221.08124	0.1
245.11934	0.1
246.08795	0.1
247.09883	0.1
263.10104	0.1
263.12897	2.1
264.13242	0.2
289.10858	0.1
289.18057	0.2
315.15967	1.2
316.16318	0.2
333.17065	100.0
334.17398	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	333.1706
Annotation	NSC 302301
Peak:m/z	Relative Intensity
55.01881	0.1
57.03445	1.3
59.01372	0.2
65.00313	0.1
67.01878	0.1
67.05523	0.2
68.99818	1.3
69.03445	0.2
69.70761	0.1
69.71115	0.5
70.57308	0.1
71.01381	0.6
71.05022	0.2
79.01899	1.3
83.05029	0.1
85.06598	1.6
86.06942	0.1
87.04515	0.2
93.03480	0.1
95.01402	0.2
95.05012	0.3
96.02209	0.1
97.02954	0.3
97.06600	0.1
98.89029	0.1
99.08134	0.1
107.08697	0.1
109.02974	0.5
109.06591	0.2
110.00117	0.2
111.00935	0.3
111.04533	23.1
111.08131	0.5
112.04863	0.8
113.06123	0.1
119.05073	0.1
119.08718	0.1
121.02943	0.1
121.06594	0.1
123.00903	0.8
123.04505	0.1
123.08184	0.4
124.01704	0.4
125.02450	0.1
125.06081	0.2
133.06616	0.2
135.08173	0.2
136.98872	0.1
137.02496	0.3
137.06148	0.2
139.04016	0.8
139.07660	0.6
139.11266	0.1
147.08212	0.1
148.08974	0.1
149.06087	0.1
149.09737	0.2
151.00394	1.9
151.04021	4.0
152.00984	0.1
152.04866	0.5
159.11917	0.1
161.09698	0.3
163.03902	0.1
163.07689	0.1
165.01895	0.1
165.05597	1.5
165.09186	0.1
166.06358	1.5
166.07683	0.1
167.07068	0.1
169.41527	0.1
175.07643	0.1
175.11357	0.1
177.05586	0.1
177.09315	0.1
179.03517	1.6
179.07135	0.3
179.10709	0.1
180.04224	0.2
181.05113	0.7
181.08606	0.2
184.03877	0.4
185.09822	0.1
189.05655	0.1
189.09155	0.1
190.06352	0.2
191.06995	0.1
191.14465	0.1
192.07985	0.1
193.05086	1.4
193.08653	0.4
193.12361	0.6
194.05853	5.8
194.12686	0.1
195.06444	0.7
198.05351	4.6
199.05656	0.3
201.12843	0.2
203.10826	0.5
205.08717	0.2
206.09489	0.2
207.06630	1.7
208.07133	0.2
210.66280	0.1
217.12276	0.1
219.06685	0.1
219.10255	0.3
219.13852	0.2
221.08208	1.0
221.11853	0.2
223.09735	0.1
226.04704	0.1
229.08440	0.1
232.22829	0.1
233.08186	0.1
233.12057	0.1
235.09932	0.1
245.08134	0.1
245.11856	0.2
247.09688	0.1
249.11345	0.2
260.63205	0.1
263.12854	2.4
264.10281	0.1
264.13190	0.2
271.16977	0.1
275.12680	0.1
289.11029	0.1
289.15051	0.1
289.18124	0.4
289.21738	0.2
291.19849	0.1
297.15018	0.1
305.17480	0.2
315.12320	0.2
315.15952	1.2
315.19492	0.1
316.16171	0.1
333.17078	100.0
334.17413	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	333.1194
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
57.03434	1.6
58.00588	3.6
58.77913	0.8
59.01381	77.7
60.01715	1.0
60.71467	0.6
61.98822	3.4
65.97897	0.7
67.21573	0.7
69.46434	1.5
69.46849	5.5
71.01386	42.6
72.01719	0.9
72.99308	3.1
73.02930	1.2
75.00877	1.1
78.95915	4.8
81.43437	0.7
83.01387	3.0
85.02962	8.2
87.00882	2.3
89.02458	38.9
93.03481	2.8
95.01370	2.3
96.96959	2.1
99.00885	1.1
101.02451	30.9
102.02741	0.8
105.89567	0.7
109.02962	1.6
109.06606	11.8
111.04539	0.9
112.04073	5.6
113.02464	16.7
114.02814	0.8
119.03519	21.7
125.02465	2.3
131.03525	1.8
143.03537	1.7
149.04553	1.5
152.99602	3.0
153.05588	5.0
155.04602	0.8
161.04568	3.1
169.01126	0.8
170.01102	1.0
171.06604	3.3
179.05643	3.4
191.05576	1.2
199.81055	0.7
217.05130	0.7
221.08209	2.0
223.71712	0.7
241.01270	1.0
265.27994	0.8
333.06354	5.3
333.11923	100.0
334.12195	9.8
338.87778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62299	0.5
54.58312	0.6
56.40508	0.5
59.01381	6.1
70.12875	1.1
70.13284	1.9
71.01388	3.9
73.02957	1.1
85.02967	1.4
89.02444	2.3
96.72837	0.5
101.02459	2.1
104.45515	0.5
109.06611	21.3
110.06940	1.3
113.02454	3.2
119.03531	0.9
127.07673	94.9
128.08014	4.8
141.09210	1.1
151.07643	2.5
153.05550	0.8
161.04564	0.7
168.21411	0.5
171.06654	100.0
172.06981	3.6
195.06613	1.6
213.07655	3.5
217.12985	0.5
270.94925	0.6
333.12045	2.4
337.53806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	Cedrin
Peak:m/z	Relative Intensity
59.01382	0.9
64.88599	0.3
67.01906	0.3
69.03466	1.1
71.01384	1.0
71.17463	0.3
71.72638	0.3
77.03985	1.4
79.01910	0.4
83.01397	2.0
85.02985	0.4
89.02467	0.5
93.03467	2.9
95.01411	1.1
97.02966	10.1
101.02460	0.8
106.99892	0.3
108.41260	0.3
109.02978	2.2
113.18546	0.3
116.36417	0.4
119.03607	0.3
121.02972	10.9
122.03281	0.4
123.00901	0.8
137.02463	35.3
138.02800	1.3
138.23871	0.3
139.04019	0.3
141.01903	0.5
163.00388	0.6
165.01952	100.0
166.02293	4.4
197.04576	40.9
198.04861	1.9
209.00897	1.2
221.08107	0.4
223.02480	0.7
255.02875	0.4
257.04514	0.5
282.34372	0.3
289.07431	0.3
301.03549	8.6
302.03860	1.1
315.05103	0.5
333.02722	0.4
333.06204	4.0
334.06680	0.3
334.16830	0.6
346.11380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36737	1.4
51.86166	2.2
57.90498	1.4
59.01382	2.2
60.08453	1.7
63.02400	10.3
65.00322	16.3
69.03453	2.2
69.86610	11.4
79.01898	2.2
81.03460	5.2
83.01389	15.3
91.01941	1.5
93.03475	2.2
93.73250	1.4
94.69770	1.4
95.01399	9.5
96.96030	1.9
103.28983	1.5
107.00699	2.9
107.01405	30.8
109.02978	7.6
111.04520	4.8
119.01394	1.9
119.05012	2.8
123.00903	10.4
124.01694	4.8
125.02461	31.6
131.05078	2.2
133.02960	6.5
135.00925	12.0
137.02554	1.9
143.05020	3.5
145.02954	2.6
145.06416	1.7
145.55011	1.7
145.57124	1.6
147.04597	3.3
147.99068	1.9
149.02390	2.2
149.72101	1.9
151.00392	100.0
152.01175	10.7
153.01970	19.8
155.05017	3.2
157.03009	2.4
159.04498	3.9
161.02426	2.4
163.00391	16.0
163.15257	1.8
164.01097	5.0
165.01915	3.4
169.01434	21.8
171.04559	4.8
173.02370	2.6
174.03218	1.8
175.04013	5.7
177.01944	10.7
178.99886	91.7
180.00175	5.5
181.01483	2.8
182.03651	1.9
187.04031	3.6
189.01955	2.4
189.05527	2.1
191.03473	2.1
193.05157	3.3
197.00926	9.0
197.02583	1.9
199.04066	11.9
201.01961	9.1
203.03528	5.6
205.01395	5.7
205.04994	3.0
206.99400	9.2
208.00117	6.1
209.00934	1.7
214.63605	1.6
215.03545	8.7
217.05083	5.1
219.02911	3.9
221.08147	2.1
226.43924	1.5
227.03485	5.6
229.01393	8.9
230.02147	3.8
233.04535	15.5
243.03026	14.8
244.03270	1.7
247.02437	2.6
259.02347	4.4
261.04001	6.7
271.02451	37.0
272.02869	4.9
287.01917	9.4
315.01453	19.8
333.02545	26.3
333.06201	1.5
333.13507	2.3
333.17102	17.2
333.20615	3.3
334.02856	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	331.1915
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
57.03419	0.8
58.66498	0.5
59.01373	1.5
65.00332	2.9
67.09759	0.5
68.99840	0.6
71.88131	0.5
74.72977	0.5
90.56396	0.4
96.96007	1.1
97.02934	0.7
98.20678	0.8
108.02166	0.6
110.00133	1.2
111.04497	0.7
115.05525	0.6
118.04313	0.6
119.05084	0.6
123.00932	0.6
124.01601	0.6
125.02478	1.7
125.06093	11.3
132.18622	0.5
133.06616	11.7
135.04472	1.2
136.98831	1.7
137.02496	1.0
138.03232	4.9
140.04803	0.7
146.25974	0.5
150.06877	1.0
151.04034	3.4
163.04015	1.7
166.06369	7.9
177.05536	0.7
178.06311	2.3
179.03479	0.9
179.07104	1.6
191.07115	1.0
193.08676	1.2
194.05849	15.9
195.06340	0.9
198.05336	10.9
198.07140	0.4
205.03250	1.0
205.05075	17.3
205.08615	4.6
206.05376	0.7
207.06665	1.9
219.06825	2.6
219.10251	12.7
220.10696	1.1
229.08789	0.6
233.08203	7.6
233.11893	2.2
234.12589	8.4
235.12819	0.8
247.09763	11.6
248.10178	1.1
261.11398	2.4
261.14969	1.5
262.12094	19.9
263.12466	2.2
331.15671	6.7
331.19138	100.0
332.19528	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	331.1916
Annotation	Hyperjovinol B
Peak:m/z	Relative Intensity
57.03440	1.1
59.01368	0.5
61.99982	0.3
65.00350	0.5
65.53519	0.3
65.95436	0.3
68.99825	0.3
69.55349	1.9
69.55762	0.7
79.05543	0.3
81.03463	1.9
82.51820	0.3
85.06593	1.3
87.04546	0.8
95.01386	1.0
95.47601	0.4
96.71938	0.3
98.20601	0.6
109.02959	0.6
109.06613	3.4
111.04536	7.8
118.27520	0.3
123.00877	0.6
123.08212	0.6
124.01670	1.7
133.06621	1.3
136.05223	0.4
137.02461	2.6
137.09721	0.4
138.55562	0.3
150.03139	0.4
151.00415	1.1
151.07666	6.7
152.01172	3.1
163.00410	0.5
163.07730	0.4
166.02664	0.5
177.01901	0.7
177.12843	0.9
179.03506	0.5
179.07173	1.0
180.07967	0.9
181.95605	0.3
189.05611	1.4
191.07166	0.5
193.05069	0.7
194.05850	3.3
201.12852	0.9
203.10817	0.6
205.05048	2.3
206.09099	0.3
207.06631	26.6
208.07066	1.9
209.08090	0.7
217.12335	0.7
217.15915	0.7
219.06631	6.2
219.13921	1.2
220.07391	1.5
229.08498	0.5
233.08231	1.3
243.10164	0.4
245.19072	0.5
247.09752	2.2
248.10295	0.4
261.11530	1.6
261.14929	2.7
262.12003	1.2
285.18582	0.8
287.13123	0.5
287.16922	0.7
287.20154	10.9
288.20520	1.1
313.18109	0.9
328.12061	0.4
329.62341	0.3
331.19144	100.0
332.19495	13.4
339.93661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1188
Annotation	Monocillin III
Peak:m/z	Relative Intensity
55.01882	0.5
57.03436	0.6
58.62658	0.4
59.01368	1.5
61.98819	0.6
64.28605	0.4
66.14052	0.4
69.53258	4.2
71.01392	2.1
71.05013	2.1
73.02958	1.3
75.48283	0.4
80.02682	0.6
85.02956	4.3
87.04523	1.7
89.02467	0.5
93.03487	0.7
94.04244	0.7
95.05045	5.8
101.02450	1.8
101.04030	0.6
107.00220	0.5
107.01404	0.9
119.05043	81.2
120.05386	3.7
121.02970	20.4
122.03336	1.3
123.04516	0.7
129.03447	0.6
130.04274	0.7
131.05098	0.7
133.06627	1.2
137.09731	5.9
145.02977	8.2
145.06607	0.8
146.03323	0.6
151.00378	1.7
155.08672	1.6
156.05835	0.8
157.06572	0.8
158.03659	0.6
159.04512	1.3
159.08183	4.2
160.05287	0.6
161.04648	0.7
169.01472	0.7
171.08188	1.6
173.09715	5.3
175.07660	0.8
178.99831	0.9
183.08128	2.5
197.13295	1.1
201.09232	14.6
202.09532	1.0
215.14441	7.8
216.15025	0.7
223.11203	0.8
241.12288	5.4
242.12735	0.6
243.03024	1.1
243.06673	2.2
259.13376	100.0
260.13705	8.6
269.04138	0.6
271.02460	3.7
285.03854	0.6
287.01956	0.6
299.02081	2.1
300.02716	1.5
313.11191	0.5
331.04666	2.4
331.11862	41.2
332.12259	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	331.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07994	0.5
57.03433	1.2
59.01383	7.4
71.01390	9.5
71.05019	2.1
71.48866	0.7
73.02950	2.8
83.01382	1.1
85.02973	7.2
86.15426	0.5
87.04523	1.9
89.02454	4.2
93.03440	0.8
95.01414	0.9
95.05046	6.1
99.00921	0.8
101.02465	7.0
113.02473	4.2
119.05045	80.3
120.05392	4.3
121.02973	21.9
122.03326	0.9
122.09127	0.5
130.04271	0.5
131.05026	0.7
133.06647	0.9
137.09753	6.8
145.02959	7.1
145.06665	0.9
155.08694	1.6
156.05841	0.9
157.06633	0.6
159.03120	0.6
159.04500	2.0
159.08165	4.4
161.04535	3.3
171.08128	1.8
173.09706	4.8
174.10139	0.8
175.07607	0.8
183.08163	2.2
197.13370	1.0
201.09213	14.2
202.09567	1.1
215.14407	8.4
223.11320	1.0
241.12364	5.3
242.12825	0.7
243.06590	0.8
259.13376	100.0
260.13727	10.6
331.11877	37.8
331.16220	0.9
331.17786	1.0
332.12183	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	331.1189
Annotation	Monocillin III
Peak:m/z	Relative Intensity
57.03442	1.1
59.01377	1.6
59.88521	0.6
66.50582	0.6
69.70178	4.6
69.70577	1.4
71.01392	1.8
71.05020	1.3
73.02979	0.9
85.02968	5.6
85.40983	0.6
87.04521	2.8
89.02450	0.6
93.03472	1.4
95.05035	8.2
101.02467	1.7
106.40483	0.6
113.02498	0.8
119.05045	84.6
120.05411	3.7
121.02973	25.0
122.03313	0.9
125.02422	0.7
130.04236	1.0
131.05037	0.9
133.06567	1.0
137.09752	7.7
145.03004	6.0
145.06664	1.1
155.08719	2.3
157.06624	1.1
159.04471	1.5
159.08147	4.2
171.08182	2.3
173.09723	7.4
175.07639	1.2
183.08215	2.7
197.13440	1.3
201.09224	14.9
202.09618	1.3
215.14404	8.8
223.11238	0.7
241.12317	6.7
243.06659	0.9
259.13379	100.0
260.13699	9.5
271.02536	1.2
325.22113	0.7
329.20444	0.6
331.11874	63.8
332.12210	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1188
Annotation	Monocillin III
Peak:m/z	Relative Intensity
57.03439	1.3
58.82094	0.5
59.01380	5.7
68.36027	0.6
69.58058	2.6
69.58488	2.1
69.85820	0.6
71.01382	4.7
74.20938	0.5
81.07109	0.7
85.02953	2.0
89.02461	2.3
99.04569	0.8
101.02456	1.4
101.03994	2.1
107.05051	1.0
113.02456	3.1
119.03513	1.3
119.05045	1.3
125.06101	12.2
126.06474	0.8
129.13397	0.5
139.07695	0.9
145.02972	48.7
146.03336	2.4
147.08153	1.2
149.02446	0.8
149.06082	2.6
153.01933	5.0
156.05823	0.8
157.08754	3.3
167.07185	1.0
168.04289	2.2
169.05125	1.2
171.08142	1.5
174.03270	0.6
178.40317	0.6
179.07184	0.7
182.96803	0.6
199.04008	0.7
200.04886	3.2
213.05536	2.5
227.07112	0.7
228.04306	1.2
232.03723	1.9
243.06612	52.4
244.06944	3.7
255.06694	1.4
279.69427	0.5
313.10745	7.3
327.26584	0.6
331.11874	100.0
332.12234	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	331.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91851	1.2
57.03444	4.4
58.00580	2.6
59.01381	38.5
69.03466	3.4
71.01390	24.7
71.04195	2.8
71.04574	3.0
72.99321	3.2
73.02929	1.3
76.36860	1.4
81.07112	6.3
85.02984	8.2
89.02442	16.7
95.01402	2.8
101.02457	12.6
101.03950	2.0
105.07100	1.6
107.05038	8.8
113.02468	16.6
116.13432	1.4
119.03520	5.9
119.05013	2.2
121.02945	1.8
121.06618	3.2
123.08207	2.5
125.02528	1.6
125.06109	100.0
126.06451	3.5
135.08226	1.4
139.07675	1.9
145.02980	36.9
146.03349	1.8
149.06111	19.8
150.06418	1.5
151.04024	1.8
157.08768	2.4
161.04631	2.5
167.07161	7.5
169.05077	13.3
179.05591	3.4
179.07178	4.0
191.05603	1.6
200.04672	1.5
213.05595	1.7
243.06624	45.7
244.06955	3.1
287.11285	1.7
313.10840	4.0
331.11893	79.6
332.12247	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	331.0824
Annotation	1-Hydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
58.62662	0.2
59.01347	0.9
61.98814	0.5
63.01860	0.2
65.00312	0.5
70.01164	0.2
70.87445	0.5
79.48007	0.2
89.59110	0.2
94.35962	0.2
107.01396	1.1
119.05013	0.3
123.08125	0.2
124.01622	0.3
125.09647	0.3
148.01666	0.2
151.00394	3.6
158.03700	0.4
170.03520	0.2
172.01738	0.4
174.03244	0.7
186.03249	0.3
190.02785	0.3
201.01921	0.9
202.02698	2.3
203.03279	0.3
214.02673	0.6
215.03510	0.5
229.01402	0.8
230.02235	2.6
243.02902	0.4
245.04570	3.8
246.04893	0.3
257.00906	0.5
258.01682	100.0
259.02240	13.7
260.02570	0.5
261.00745	0.3
261.04019	0.6
274.45914	0.2
287.01749	0.3
331.01184	2.8
331.08252	38.7
331.11734	2.4
331.19049	3.2
332.00711	0.9
332.08533	4.2
332.12198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.85075	0.6
67.11377	0.4
69.03452	2.9
69.84116	1.8
69.84539	1.5
79.01891	0.7
81.03465	0.9
83.01394	1.4
95.01380	0.7
97.02970	2.2
107.01360	1.3
116.38525	0.4
123.00922	3.7
124.01681	15.3
124.02600	0.8
125.02465	70.5
126.02789	1.9
129.96913	0.5
137.02487	0.7
149.02515	0.5
149.99605	33.1
151.00375	1.9
167.03482	0.8
168.00662	71.6
169.01428	10.2
211.02663	0.6
214.94965	0.5
313.05618	9.5
314.05551	0.5
331.06702	100.0
332.07056	8.7
352.21063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.00327	0.5
69.03450	2.2
71.09473	0.7
71.09804	0.4
79.01900	0.5
81.03486	1.3
83.01412	2.6
92.29466	0.4
95.01390	1.0
97.02969	2.7
99.76178	0.4
103.74502	0.4
107.01407	2.4
121.02966	0.6
123.00896	2.4
124.01691	11.1
125.02467	51.6
126.02829	1.9
137.02460	0.7
149.02437	0.7
149.99606	20.1
151.00401	8.1
163.00443	0.4
165.02007	0.6
167.03528	1.0
168.00661	49.7
169.01443	12.8
170.01837	0.6
170.85779	0.4
175.00374	1.1
193.01482	2.6
211.02502	3.0
223.02563	0.5
241.03363	0.5
261.83505	0.4
313.05673	7.1
331.06711	100.0
332.07037	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	331.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.9
59.01373	1.7
65.00327	3.3
69.03442	0.6
70.57596	0.4
70.57944	1.7
70.81147	0.4
71.01386	0.9
77.69361	0.4
79.01887	0.4
81.03477	2.2
83.01395	11.3
83.41272	0.4
85.02989	0.6
93.03450	0.7
97.02974	1.8
107.01400	8.1
108.02202	4.0
109.02964	1.8
111.04541	0.4
123.00912	1.0
123.04543	0.5
124.01685	3.5
125.02463	57.8
126.02820	2.3
131.01384	0.9
137.02457	1.4
139.04068	1.0
149.02467	1.0
149.99599	2.7
151.00389	44.7
151.03999	1.2
152.00754	1.7
161.04593	1.1
165.01941	1.2
167.03546	2.0
168.00661	11.2
169.01447	36.2
170.01765	1.7
175.00380	5.6
176.00731	0.4
193.01463	4.3
195.10037	0.4
205.01456	0.6
211.02522	2.3
223.02510	0.7
241.03574	0.4
271.01367	0.7
271.08160	0.6
313.05569	1.2
331.06702	100.0
332.07004	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	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
60.36281	0.4
65.99863	0.4
71.72408	0.5
77.13943	0.3
78.19473	0.4
79.66801	0.4
83.47922	0.4
96.96018	0.5
109.02956	0.9
116.05973	0.4
117.44978	0.4
134.19783	0.4
137.02448	2.8
138.03256	6.3
145.02962	1.1
147.64322	0.3
149.91776	0.4
151.00383	0.8
167.02246	2.7
168.03046	100.0
169.03397	4.4
215.03369	0.4
217.19301	0.3
243.06590	1.2
245.04575	0.8
259.02576	0.6
271.02411	0.6
300.02847	0.4
330.08331	21.7
331.08334	4.5
331.11978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
54.78878	0.4
57.03434	1.6
59.01378	8.0
61.98820	1.1
64.97681	0.4
69.56609	3.8
70.16604	0.5
71.05038	0.6
83.05038	0.7
84.02161	0.5
86.68858	0.5
97.06605	0.7
99.08180	7.4
119.24516	0.6
125.09727	1.3
127.11318	4.1
137.09691	0.5
139.11310	10.0
140.11705	0.4
155.10776	0.9
155.14435	0.6
157.12358	1.3
167.14442	1.3
171.10284	22.0
172.10648	0.6
183.13902	3.9
193.12341	1.6
199.13371	0.6
201.11362	0.7
209.11836	1.0
211.13408	24.0
212.13736	2.0
229.14462	12.9
229.16714	0.8
230.14871	1.1
258.04736	0.7
259.05090	0.6
293.21075	1.1
311.22263	1.3
329.09491	2.0
329.23337	100.0
330.23666	11.6
331.47159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.7
61.83450	0.5
61.98839	1.2
65.00325	0.6
69.67753	4.3
69.68157	1.4
91.33939	0.6
117.50642	0.6
121.02968	0.7
122.03780	0.8
123.04592	0.6
124.05310	1.9
134.29024	0.5
144.43744	0.6
149.02443	0.7
153.09239	1.8
158.03786	0.9
167.03496	0.8
179.40985	0.8
211.13460	1.7
212.04854	0.8
214.02776	0.9
227.03581	2.2
228.04269	3.8
229.01404	1.0
230.02278	1.0
233.15634	0.7
237.65041	0.6
241.01509	2.1
241.04997	0.7
242.02226	1.7
243.02924	2.2
243.40216	0.6
244.03571	1.1
245.00874	6.7
246.01262	1.1
255.03026	2.3
256.03732	5.2
257.04276	0.8
258.01764	2.3
269.04599	1.9
272.03201	1.8
281.67972	0.7
288.02805	6.0
299.08298	0.8
301.03552	1.2
327.08432	0.8
329.03516	13.1
329.06674	6.7
329.10269	56.5
329.17014	1.5
329.23395	1.3
330.03262	2.1
330.06955	1.5
330.10492	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	329.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.7
61.83450	0.5
61.98839	1.2
65.00325	0.6
69.67753	4.3
69.68157	1.4
91.33939	0.6
117.50642	0.6
121.02968	0.7
122.03780	0.8
123.04592	0.6
124.05310	1.9
134.29024	0.5
144.43744	0.6
149.02443	0.7
153.09239	1.8
158.03786	0.9
167.03496	0.8
179.40985	0.8
211.13460	1.7
212.04854	0.8
214.02776	0.9
227.03581	2.2
228.04269	3.8
229.01404	1.0
230.02278	1.0
233.15634	0.7
237.65041	0.6
241.01509	2.1
241.04997	0.7
242.02226	1.7
243.02924	2.2
243.40216	0.6
244.03571	1.1
245.00874	6.7
246.01262	1.1
255.03026	2.3
256.03732	5.2
257.04276	0.8
258.01764	2.3
269.04599	1.9
272.03201	1.8
281.67972	0.7
288.02805	6.0
299.08298	0.8
301.03552	1.2
327.08432	0.8
329.03516	13.1
329.06674	6.7
329.10269	56.5
329.17014	1.5
329.23395	1.3
330.03262	2.1
330.06955	1.5
330.10492	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	329.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71608	1.1
59.01382	100.0
60.01704	1.7
61.98846	1.4
65.90908	1.0
69.45325	1.2
69.45654	10.9
71.01402	5.0
71.05023	1.4
71.11084	0.9
78.77852	0.9
81.03462	2.1
83.05015	1.2
85.02979	2.1
93.03481	2.1
95.01388	3.9
109.02970	1.3
111.04530	4.6
113.02457	2.1
120.00792	1.1
122.03788	1.6
123.04465	1.0
137.02414	2.4
138.03239	6.0
155.14375	1.7
157.12361	4.4
160.94261	0.9
177.09294	1.6
183.13885	1.9
185.15436	1.6
192.11478	1.1
197.15465	1.6
207.17542	3.3
211.13290	1.6
220.14659	15.1
221.15486	35.8
222.15811	4.2
223.16974	1.9
225.14854	1.3
233.15546	4.9
236.10551	26.5
237.10921	3.1
251.16457	4.0
252.17337	1.2
257.21069	1.6
269.00900	3.1
284.02966	1.8
285.03180	1.6
293.17630	22.7
294.18024	2.7
329.09470	7.3
329.13293	1.6
329.17395	2.4
329.20551	1.6
329.23196	3.9
329.26898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
58.39248	0.3
59.01381	100.0
60.01722	1.7
60.38599	0.3
66.80994	0.3
67.01891	0.4
69.79015	2.4
71.01382	4.7
72.99319	0.4
73.02962	1.2
81.03450	0.4
83.01404	0.6
85.02972	2.1
89.02483	1.0
93.03473	0.8
99.00902	0.3
101.02460	3.3
109.02959	0.3
113.02471	1.9
121.02960	0.5
123.04539	0.9
125.02458	0.5
132.53227	0.3
135.04588	0.9
152.03488	0.5
161.02492	0.8
161.04575	3.2
167.03522	4.0
168.03078	0.9
176.04045	4.0
176.54196	0.5
179.03517	1.6
191.05579	1.8
194.13519	0.3
269.10300	5.1
269.12970	0.4
270.10748	0.6
329.12540	1.3
329.16260	0.4
330.08386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1144
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.62137	0.5
59.01377	2.6
63.72870	0.5
69.64480	3.9
82.02993	6.7
90.72024	0.5
94.03014	0.6
98.20624	0.9
104.05085	0.9
106.06650	8.2
108.04594	1.5
110.02498	1.8
116.97053	0.5
117.02361	0.5
120.04575	0.6
122.06136	2.3
132.04573	24.7
133.05324	2.3
134.06142	33.0
135.06487	1.5
136.04085	2.0
138.05644	1.3
148.04034	1.4
149.02411	0.7
149.04849	2.2
149.36836	0.5
160.04068	18.9
161.04846	36.1
162.05629	81.7
163.05963	3.1
167.07188	0.6
175.07614	0.8
176.03574	4.1
186.05655	0.7
187.08998	0.5
193.03822	46.9
194.04288	3.3
206.04608	1.1
210.05504	0.7
212.07204	5.2
213.08142	2.5
214.08754	5.0
226.08902	2.5
229.09737	0.6
240.10370	1.2
241.06192	8.1
241.08630	0.7
241.09749	0.7
242.11919	4.6
243.11440	4.4
244.11699	0.5
254.06961	1.1
255.07803	1.7
257.09329	9.7
258.09500	1.1
267.11411	0.6
268.09833	3.9
269.09262	5.0
270.09680	0.5
285.12451	68.7
286.12793	6.4
311.10373	8.6
312.10876	0.6
329.11423	100.0
330.11728	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.27183	0.3
54.08117	0.3
56.75666	0.3
59.01366	0.4
71.01375	0.7
84.66926	0.3
85.02943	0.5
91.63927	0.3
108.02188	55.1
109.02501	2.3
123.04543	21.9
124.04885	0.8
152.01175	35.4
153.01457	1.5
167.03516	100.0
168.03831	4.4
174.49707	0.3
209.04538	0.4
261.55157	0.3
292.75333	0.3
329.08835	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	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96992	0.3
57.03443	0.7
59.01389	0.5
62.32612	0.3
63.59875	0.3
65.00314	0.5
81.03463	4.3
81.35628	0.2
83.01385	2.3
95.05048	0.4
95.09124	0.2
95.43778	0.2
95.59267	0.3
97.02920	0.3
107.01351	0.3
123.04543	28.4
124.04877	1.2
125.02466	4.8
131.15181	0.3
141.81688	0.3
149.02464	0.8
151.00375	1.5
163.04108	0.3
167.03516	100.0
168.03867	4.2
191.03548	0.7
209.04570	1.0
233.78265	0.3
329.08765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.37111	0.5
57.03453	0.9
59.01389	3.1
59.94147	0.5
69.03474	0.9
71.01382	1.0
71.71275	0.6
81.03465	7.9
83.01384	4.9
85.02966	0.7
87.96528	0.5
93.03465	1.2
95.01394	0.4
95.05037	11.6
95.50686	0.5
97.02968	2.6
99.04535	4.3
107.01405	0.6
107.05038	0.5
111.04534	0.5
121.02999	1.2
122.03725	1.7
123.04540	15.7
124.04824	0.7
125.02464	14.9
135.04550	1.3
137.02481	2.8
137.06108	13.9
139.04063	2.0
141.05556	1.1
147.04468	0.6
149.06119	0.8
150.03172	0.6
151.00400	0.7
155.03535	1.2
165.01915	0.6
165.05588	5.8
166.05960	1.1
167.03517	43.7
167.06044	1.9
168.03880	1.6
173.46574	0.5
177.01558	0.5
179.03526	7.1
181.05067	2.0
191.05603	1.0
193.05058	1.7
197.04552	1.9
206.02266	1.1
209.04562	100.0
210.04886	5.1
221.04564	2.0
239.05612	20.5
240.05992	1.3
251.05602	0.6
267.82135	0.5
311.07663	1.4
327.07285	0.5
329.08777	25.3
329.12158	1.0
330.09097	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	329.0667
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
53.97754	0.1
59.01381	1.5
60.24926	0.1
61.98837	0.1
63.69061	0.1
65.00323	0.5
65.80424	0.1
74.19290	0.1
83.01406	0.3
91.38528	0.1
95.01429	0.1
107.01389	0.9
108.02203	0.6
119.77980	0.1
124.01624	0.1
130.04247	0.1
146.03743	0.2
148.01698	0.3
151.00397	2.7
158.03726	0.5
158.04941	0.1
161.02446	0.3
169.01489	0.1
172.01657	0.3
173.02452	0.1
173.99707	0.1
174.03261	1.0
176.01143	0.2
177.01996	0.1
178.99837	0.2
185.02483	0.2
186.03244	0.5
189.01968	0.1
190.02724	0.3
201.01927	1.1
202.02727	1.8
203.03059	0.2
213.01964	0.2
214.02745	0.7
215.03209	0.1
229.01437	1.7
230.02179	2.5
231.02661	0.1
241.01590	0.1
242.02209	0.8
243.02885	0.4
257.00906	1.6
258.01678	100.0
259.02063	8.5
260.00244	0.2
260.02695	0.1
287.99725	0.1
329.06656	10.8
329.22479	0.1
330.00833	2.1
330.06891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03432	1.9
59.01367	1.9
66.35691	0.4
69.00141	0.5
69.03441	2.2
71.01381	1.0
71.71198	0.7
72.91001	0.5
78.96377	0.4
83.05010	0.7
85.02960	8.3
95.05033	0.9
97.02950	1.1
97.06601	4.1
119.05048	0.5
119.08669	0.5
125.09725	1.3
127.11286	1.9
137.09726	1.4
153.09337	0.6
155.10857	0.7
155.14470	0.6
165.12819	1.1
167.14359	1.2
171.10283	19.8
172.10640	0.9
175.11316	0.6
177.12958	1.0
183.13914	4.3
185.11861	1.2
193.12350	1.9
197.11887	0.7
201.11366	0.8
209.11873	1.8
211.13399	18.8
212.13754	1.6
221.11832	3.1
225.05516	0.5
227.03445	2.5
229.14459	11.6
230.14847	0.5
239.12920	1.2
242.02126	1.0
243.03055	0.6
256.03903	0.5
267.02856	0.5
269.04550	13.2
270.04938	1.7
279.02972	1.5
291.06558	0.9
291.19626	2.6
292.19922	0.6
293.04630	0.6
294.05399	0.5
309.07617	4.0
309.20712	0.7
310.08081	0.7
327.04974	2.3
327.08737	13.5
327.21765	100.0
328.05380	0.7
328.09012	1.3
328.22101	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	327.1451
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
55.01873	1.6
55.71753	1.2
57.03437	2.1
58.00588	5.1
58.18481	1.2
59.01382	100.0
60.01738	1.8
69.83089	2.5
69.83500	5.8
71.01391	63.8
72.99323	4.1
73.02955	3.4
75.00889	1.3
78.17597	1.2
81.07091	1.7
83.01405	3.2
83.05054	1.3
85.02969	15.6
87.00905	2.8
87.04594	1.2
87.52625	1.1
89.02454	64.0
90.02765	1.3
90.08700	1.2
95.01375	5.4
97.02986	2.3
98.19881	2.3
101.02460	31.5
107.68927	1.2
111.04552	1.2
113.02464	35.7
119.03526	21.9
121.10252	87.2
122.10590	5.3
125.02469	2.0
131.03514	2.2
135.04553	7.0
136.12572	1.0
143.03531	3.7
145.10294	3.0
151.11282	1.2
160.08205	1.2
161.04604	3.5
163.11288	10.7
165.09232	63.4
166.09590	3.2
171.10347	1.6
177.09178	1.3
177.70995	1.1
179.03589	6.8
179.05621	8.7
179.07051	1.8
186.28368	1.2
193.12369	1.1
197.11932	2.2
207.10301	8.3
237.11234	2.9
271.02408	2.5
283.02460	4.9
284.03079	1.7
327.01416	3.9
327.05133	2.8
327.08682	5.5
327.14539	7.1
327.21805	15.4
328.14789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Androsin
Peak:m/z	Relative Intensity
57.03454	1.1
58.00581	1.3
59.01379	34.5
59.77957	0.5
60.01707	0.8
61.98830	1.7
65.03069	0.5
67.33109	0.5
71.01385	19.7
72.99312	3.1
73.02956	0.9
83.01404	1.6
85.02969	4.3
87.00899	1.1
89.02451	18.7
95.01392	1.9
101.02457	11.8
113.02459	6.9
118.53532	0.5
119.03529	8.1
119.05048	3.9
125.02508	0.7
128.62512	0.6
143.03586	0.9
147.04544	100.0
148.04886	4.4
149.04567	0.9
150.04233	1.4
155.49644	0.6
161.04671	0.8
161.06128	1.0
165.05591	16.0
166.06004	0.7
179.05611	1.1
191.05753	0.7
223.09744	0.7
229.99899	1.2
327.10861	72.5
328.11398	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.39429	0.2
58.97376	0.3
59.01379	15.4
65.96494	0.3
70.21884	1.0
70.22296	0.5
71.01386	1.2
82.92787	0.2
85.03006	0.5
93.03470	5.4
97.13182	0.3
101.02431	0.4
108.66311	0.3
113.02451	0.4
119.05038	1.4
120.05402	0.4
121.05705	0.4
121.06605	6.9
122.06936	0.5
157.96086	0.3
158.58377	0.3
161.04558	0.7
164.04372	0.4
165.05586	100.0
166.05922	4.1
207.74390	0.3
327.10870	3.4
329.26636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59783	0.3
59.01366	0.9
70.87843	0.6
74.62537	0.4
83.52228	0.3
89.06112	0.4
91.16766	0.4
95.01402	0.8
95.53986	0.3
96.24837	0.4
108.02152	0.8
123.00913	1.7
141.92818	0.3
149.99574	2.4
158.03735	1.0
161.02429	0.6
174.03262	1.6
184.04855	0.4
186.03159	0.9
200.04494	0.5
202.02681	0.8
204.00528	0.5
208.38000	0.3
215.03392	0.4
216.03874	0.7
225.18411	0.3
228.03799	0.6
229.01367	0.7
230.02200	17.3
231.02603	1.7
239.03514	0.6
240.03883	1.7
242.01714	0.6
243.03015	1.8
244.03398	3.6
256.03497	1.1
258.01682	100.0
259.02023	9.5
271.02466	3.9
272.02820	11.4
273.03070	0.5
283.02509	7.7
284.02823	28.5
285.03046	2.7
294.04651	0.3
295.05902	0.5
298.04330	0.4
308.06430	1.9
310.08032	3.9
312.05783	0.7
326.07419	0.9
327.08484	19.1
327.19620	1.0
328.08865	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	327.0876
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
53.42603	0.3
59.01373	0.4
69.29502	0.3
71.20522	1.0
85.02971	0.5
89.57559	0.4
91.05975	0.3
93.03487	0.6
109.03007	0.4
122.35047	0.4
129.07120	0.4
133.02953	0.6
135.04575	1.0
157.06604	1.0
161.02487	0.4
165.09198	1.4
184.05348	0.6
185.06065	0.8
191.05630	1.4
198.03250	1.5
211.03992	0.4
212.04677	0.5
213.05592	6.6
227.03497	7.5
228.04272	10.7
229.04666	0.7
255.00447	0.7
255.02988	9.6
256.03751	22.8
257.04538	52.4
258.04877	4.3
269.04556	0.5
271.02432	1.1
272.02728	0.9
281.08151	1.0
281.38385	0.4
288.02747	25.8
289.03137	2.2
291.06683	2.2
293.04868	0.4
294.05435	0.4
299.01889	0.5
300.02444	1.0
301.02802	0.5
309.07675	7.0
310.08069	0.8
327.08743	100.0
328.09091	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.4
75.83651	0.3
83.78795	0.3
84.42454	0.4
93.03448	1.0
98.19762	0.3
126.59775	0.3
133.02972	0.5
135.00859	0.4
137.02634	0.4
144.09039	0.4
157.06615	0.8
167.05156	0.3
169.06635	0.4
170.03740	0.4
175.04085	0.5
183.04477	0.3
184.05388	0.4
185.06068	1.2
195.04475	0.4
198.03259	1.4
211.04005	0.6
212.04720	0.4
213.05592	6.6
214.05956	0.5
227.03519	7.1
228.04262	10.3
229.04793	0.6
230.37950	0.5
230.39972	0.4
255.02980	9.3
256.03741	23.2
257.04532	50.0
258.04849	4.2
269.04568	0.5
281.08185	0.6
288.02744	26.0
289.03094	1.9
291.06616	2.9
293.04553	0.5
294.05151	0.3
309.07654	7.6
310.08063	0.8
327.08737	100.0
328.09073	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	327.0875
Annotation	Garvin C
Peak:m/z	Relative Intensity
59.01379	1.2
66.66609	0.6
69.70999	4.0
71.01380	1.2
87.00892	0.5
93.03460	6.3
106.04246	1.6
108.02212	0.8
117.03439	0.6
119.05043	100.0
120.05377	5.1
121.02978	0.7
131.05070	1.1
132.05833	2.7
135.04572	0.9
143.05048	1.4
145.06564	2.1
151.27823	0.5
163.04028	87.7
164.04373	5.0
165.05626	0.8
176.03917	0.7
176.54239	0.9
176.83736	0.5
178.77054	0.5
179.03653	0.8
209.06032	0.9
211.07597	1.9
221.09763	1.7
237.09193	3.6
238.29054	0.5
239.10823	3.5
243.02904	0.6
245.55698	1.0
255.02953	1.0
283.09763	31.9
284.10049	3.1
327.05359	2.9
327.08707	56.4
327.15045	1.8
328.09088	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	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48577	0.3
59.01382	0.3
69.03439	0.4
71.20972	0.5
71.21321	0.3
79.01883	0.3
84.59898	0.2
90.15501	0.2
93.03474	1.0
97.02947	0.2
98.20486	0.2
101.96320	0.2
107.01404	0.4
109.02975	0.8
123.75401	0.3
125.02438	0.3
133.02980	0.5
135.00887	0.7
143.05037	0.5
145.02988	0.3
154.04228	0.3
157.06587	0.6
161.02382	0.3
167.04991	0.4
169.06583	0.6
171.04530	0.5
173.06087	3.0
183.04567	0.2
184.05258	0.7
185.06139	1.7
187.04012	0.4
189.05605	0.9
190.52194	0.2
191.07114	0.4
198.01584	0.3
198.03232	1.7
211.04037	0.9
212.04724	0.5
213.05588	8.3
213.07564	0.5
214.05852	0.7
215.03517	0.6
227.03537	0.5
228.04063	0.4
235.13367	0.6
253.14458	1.1
255.03001	0.9
256.03754	14.1
257.04541	71.5
258.04868	6.2
269.04413	0.3
281.08130	0.4
283.02463	0.3
288.02759	24.2
289.03073	2.0
309.07693	6.0
310.07983	0.6
325.07224	0.7
327.08734	100.0
328.09067	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	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58386	0.2
54.21304	0.2
69.03448	0.4
76.66101	0.2
85.02976	0.5
94.18197	0.2
102.87157	0.3
107.05079	0.3
119.12632	0.2
129.07117	0.4
133.03020	0.3
153.09183	0.2
171.10286	0.9
179.07117	0.3
196.06679	0.3
197.08191	0.3
199.04097	0.4
201.01814	0.3
211.13441	0.5
214.02699	0.5
215.09172	0.7
221.08299	0.3
221.11836	0.3
227.03532	2.2
228.04280	3.3
229.04674	0.3
235.07686	0.3
238.06319	0.4
242.02214	0.6
243.02986	0.3
253.08743	0.6
255.02986	3.7
256.03775	7.3
257.04135	0.9
267.02982	14.3
268.03403	1.8
269.04532	0.4
277.05215	0.5
279.06622	0.4
281.04565	0.9
281.07761	0.4
282.05295	1.3
288.02759	7.4
288.05981	0.4
289.03055	0.6
291.06671	3.2
292.07025	0.4
293.04547	0.8
295.06119	4.6
296.06674	1.8
297.07706	31.3
298.08060	3.5
309.07727	6.0
310.08044	0.7
327.08752	100.0
327.21658	3.7
328.09094	13.2
328.21936	0.5
349.57834	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0873
Annotation	Alnetin
Peak:m/z	Relative Intensity
59.01368	0.6
70.39310	0.2
77.06269	0.2
85.02951	0.2
98.19872	0.3
119.05032	0.5
134.01945	0.2
134.83083	0.2
135.08160	0.5
155.30402	0.2
158.03783	0.4
161.02556	0.3
170.03773	0.4
172.01689	0.9
174.03221	0.2
186.03256	1.6
198.03290	0.5
199.04079	0.3
214.02721	6.5
215.03207	0.4
227.03485	1.1
228.04227	1.0
230.02251	0.2
230.71536	0.2
242.02211	52.7
243.02718	6.3
244.03407	0.2
255.02904	1.0
256.03754	3.3
257.04221	0.5
258.01624	0.6
258.05090	0.5
267.02963	0.7
268.07422	0.2
272.03012	0.4
279.02841	0.3
283.02536	1.3
284.02878	0.6
293.04474	1.5
294.05264	1.4
295.05695	0.3
309.07693	3.0
310.08087	0.4
322.58167	0.2
327.08740	100.0
328.09076	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	327.0874
Annotation	hyperxanthone E
Peak:m/z	Relative Intensity
67.35954	0.2
71.71606	0.4
100.94629	0.2
108.02211	0.4
116.89404	0.2
135.03276	0.3
147.40231	0.2
186.03209	0.3
230.02200	1.1
234.27914	0.3
239.03471	0.4
243.03049	2.5
244.03828	1.7
256.03757	1.3
258.01700	4.0
271.02414	1.8
272.03214	2.7
283.02484	18.3
284.03064	1.9
295.06143	0.8
311.05426	0.5
327.08746	100.0
328.09100	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17853	0.3
67.83754	0.3
69.76898	0.8
69.77330	1.3
86.69299	0.3
93.03522	0.3
101.94617	0.3
107.59492	0.3
108.02211	0.6
114.38242	0.3
135.99760	0.3
149.99529	0.4
171.04565	0.3
185.06107	0.6
198.03162	0.4
199.04021	0.5
202.02574	0.3
213.05563	2.3
215.03577	1.1
216.04108	0.5
227.03503	4.0
228.04271	4.3
229.04718	0.5
237.82179	0.4
242.02205	0.5
243.03065	1.6
253.01535	0.5
255.02997	4.2
256.03760	8.5
257.04544	20.6
258.01697	4.0
258.04874	1.6
259.02109	0.5
271.02475	9.9
272.03180	4.2
273.03619	0.5
281.08081	0.5
283.02518	7.0
284.03094	2.0
288.02725	8.7
289.03006	0.7
291.06616	1.1
304.02194	1.0
309.07657	3.2
310.08130	0.5
325.07239	0.5
327.08740	100.0
328.09082	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88917	0.2
65.00327	0.4
66.03935	0.2
66.32623	0.2
95.01391	0.2
107.05029	0.8
108.02151	0.3
122.43344	0.2
127.16055	0.2
143.05099	0.3
154.04321	0.3
159.08147	0.5
169.06525	0.3
172.01636	0.3
173.84058	0.2
183.04518	0.5
185.02451	0.3
185.06087	0.8
186.03162	0.8
187.03917	0.4
197.85452	0.2
198.03180	1.4
199.04021	0.6
200.04747	0.8
201.05542	0.3
211.03964	0.3
213.01942	2.0
213.05511	1.8
214.02727	2.5
215.03316	0.5
221.09697	0.2
227.03503	14.0
228.04262	12.5
228.06590	0.5
229.04814	1.7
240.04404	0.3
241.01514	0.3
242.02216	19.5
243.02643	1.8
247.07579	0.3
249.05400	0.3
251.03517	0.4
255.02989	9.5
256.03754	46.7
257.04510	35.8
258.04889	3.0
265.04990	0.6
265.08200	0.2
279.02988	12.9
280.03247	1.3
281.08221	0.4
291.06616	4.2
292.07074	0.7
293.04562	5.0
294.05310	8.0
295.05655	0.9
307.06165	0.7
309.07697	32.3
310.08029	4.2
325.07010	0.3
327.08746	100.0
328.09103	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	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43245	0.2
57.97071	0.3
59.01360	0.5
65.00317	0.3
69.87160	1.3
70.51461	0.2
80.31313	0.2
93.03439	1.2
98.19869	0.4
98.74477	0.2
100.40318	0.2
107.01405	0.4
109.02972	0.4
117.03501	0.3
143.05069	0.4
155.05046	1.2
159.04514	0.3
171.04506	1.0
178.03357	0.3
183.04570	1.3
189.05508	0.3
199.04019	8.8
200.04390	0.7
200.68636	0.2
201.01849	0.3
201.11377	0.2
203.03537	0.4
210.03224	0.8
211.03993	2.8
212.04449	0.6
215.03610	0.3
226.02702	0.5
227.03505	13.5
228.03954	1.5
230.02306	0.3
240.04109	0.3
242.02299	0.5
243.02919	0.5
254.02295	0.4
255.02988	38.4
256.03598	7.1
257.04547	1.7
258.01685	4.0
259.02185	0.6
267.02814	0.3
269.04605	2.0
271.02484	7.4
272.03030	1.1
283.02460	6.1
284.03137	1.8
288.02811	0.4
294.05521	0.3
297.03952	0.3
309.07574	1.6
310.08148	0.4
327.08734	100.0
328.09067	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	326.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07881	0.3
53.80005	0.3
59.01082	0.5
59.01378	7.3
59.74310	0.2
60.01711	0.5
61.98822	1.0
69.91167	0.2
71.01382	0.2
75.07761	0.2
90.74155	0.3
92.02569	0.4
98.19821	0.6
100.57883	0.3
106.71770	0.3
107.03665	2.2
119.05047	1.6
120.05363	1.6
134.04749	100.0
135.05222	2.2
146.02509	1.0
147.01624	0.2
149.02493	1.3
150.03221	1.0
153.44383	0.3
163.04060	0.7
164.04424	1.1
165.05605	2.2
226.00644	0.3
259.66553	0.3
266.08948	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	326.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54440	0.1
63.02405	0.1
64.02641	0.1
65.00333	0.2
69.91609	0.1
70.70425	0.1
71.48750	0.3
92.97371	0.1
105.13717	0.1
107.01421	0.2
115.05502	0.2
131.05048	0.2
133.02972	0.2
135.00876	0.5
139.05534	0.2
143.05055	0.5
147.04514	0.1
151.00386	0.2
155.05049	0.6
157.02953	0.2
159.04526	0.3
161.02548	0.1
167.05035	0.3
169.02916	0.2
171.04480	0.7
173.02458	0.4
173.06084	0.2
175.00423	0.4
175.04019	0.5
182.03511	0.1
183.04526	1.5
185.02452	0.4
187.04010	0.5
188.01039	0.1
193.01326	0.1
195.69203	0.1
197.02454	0.3
198.03174	0.2
199.04022	1.8
200.04408	0.1
201.01904	0.5
209.02466	0.1
210.03113	0.1
211.03995	1.8
211.71251	0.1
213.01952	0.6
214.02669	0.3
215.03502	1.6
225.01892	0.2
227.03503	3.2
228.00529	0.1
228.03885	0.2
229.01431	1.2
230.02214	1.1
237.01868	0.1
238.02682	0.4
239.03490	7.1
240.03915	0.7
241.01463	1.6
242.02206	0.7
243.02974	17.6
244.03331	1.5
253.04866	0.2
255.02995	3.3
256.03412	0.3
257.00879	0.2
258.01697	2.1
259.02133	0.1
263.07129	0.4
267.03070	0.2
269.01004	0.2
271.02463	44.3
272.02814	4.0
282.01685	0.5
283.02475	100.0
284.02811	8.8
285.04132	0.5
293.04599	1.1
294.05219	1.0
297.04025	1.8
297.07666	0.4
307.06125	5.2
308.06665	1.1
309.04404	0.4
309.07663	10.2
310.04761	0.3
310.08047	0.9
311.05566	2.3
312.05896	0.2
325.07214	1.9
326.07950	38.1
327.08344	5.4
327.19580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
59.01382	12.9
61.98838	1.6
69.03448	1.5
71.72292	1.7
76.26956	1.1
78.10783	0.9
81.03438	2.1
83.01393	2.1
83.05042	3.0
95.05041	1.6
97.02968	1.1
97.06607	4.1
119.05106	2.5
121.03030	1.1
123.04552	3.7
123.08170	2.3
125.09721	6.6
134.04756	2.5
135.08211	1.2
137.09758	2.9
145.02855	1.1
146.04729	1.1
151.00400	1.5
163.03996	1.8
163.11298	3.5
165.09280	1.2
165.12798	1.7
167.10789	5.3
173.06142	1.2
181.12296	1.7
185.11899	2.4
191.10612	1.1
191.14478	1.2
207.10277	2.0
209.11858	7.8
216.17430	0.9
237.11557	1.5
242.02214	3.0
245.19205	2.1
263.07138	2.4
267.03101	1.3
271.79163	0.9
281.04617	2.2
282.01810	1.4
282.05301	1.4
283.02679	1.4
295.02484	5.3
297.07599	2.9
307.06158	11.3
309.04010	15.4
310.04700	5.6
325.07190	100.0
326.07532	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48557	0.4
54.34752	0.4
59.01378	100.0
60.01718	0.8
61.98814	0.8
71.01393	4.6
73.02952	1.4
78.29466	0.4
85.02963	2.5
89.02460	0.9
98.19895	0.7
99.00861	0.7
101.02457	3.9
113.02470	1.9
119.05040	18.5
120.05418	0.6
134.04781	1.5
143.03510	0.4
156.69606	0.5
161.04590	5.8
163.04024	12.3
164.04482	0.7
167.03564	0.7
235.10179	0.4
265.12915	12.0
266.13293	1.0
325.06042	0.5
325.14627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13712	0.5
59.01381	100.0
60.01714	1.4
61.98826	1.0
62.39607	0.4
70.57905	0.7
71.01389	4.6
73.02970	1.8
83.01389	0.7
85.02958	2.5
89.02482	1.4
99.00911	0.8
101.02471	3.7
113.02446	2.5
119.03696	0.6
119.05044	16.2
120.05417	1.4
134.04747	11.2
134.05734	0.7
159.02901	0.5
161.04593	5.5
163.04028	11.5
163.05389	0.7
164.04399	0.6
212.36134	0.4
239.10820	0.7
265.12921	12.4
266.13434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	Globulixanthone D
Peak:m/z	Relative Intensity
52.74810	0.2
59.01374	1.3
60.18175	0.2
70.88451	0.8
101.44250	0.3
167.04906	0.4
171.04570	0.3
181.21605	0.3
183.01274	0.7
183.04550	0.9
185.02460	0.2
195.04552	0.6
197.02748	0.6
199.03889	0.3
223.04041	4.6
224.04352	0.4
225.01913	0.3
227.03468	1.6
242.02226	0.4
255.02979	47.2
256.03268	3.8
267.02969	100.0
268.00449	0.6
268.03314	9.2
271.06781	0.3
281.04593	3.1
283.02496	0.7
293.08139	1.8
295.06100	4.3
296.06409	0.4
309.07742	1.0
310.08444	3.7
311.08795	0.6
325.10800	86.3
325.18497	3.4
326.07303	0.6
326.11136	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
55.44097	0.1
59.01388	0.9
63.22696	0.1
65.03965	0.1
69.93375	0.8
71.01392	0.3
85.02919	0.2
93.03456	0.7
98.20617	0.1
117.03481	0.3
119.05041	100.0
120.05378	4.3
121.03034	0.2
144.98694	0.1
145.02966	0.2
161.04565	0.2
161.05956	0.1
163.04022	66.5
164.04353	3.5
205.05034	0.5
225.13243	0.1
263.11206	0.1
265.12625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01386	0.3
69.90071	1.1
69.90485	0.8
93.03487	0.4
97.09676	0.3
117.03510	0.3
119.05045	100.0
120.05396	5.3
125.02412	0.4
145.02960	2.0
163.04028	79.5
164.04367	4.4
289.07211	1.4
309.41531	0.3
325.09332	0.5
325.13483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0718
Annotation	Dihydrosterigmatocystin
Peak:m/z	Relative Intensity
51.10721	0.1
54.54196	0.1
59.01387	0.9
64.04665	0.1
66.31134	0.1
69.77126	0.5
69.77553	0.5
85.02906	0.2
95.01406	0.2
107.01379	0.5
109.02956	0.2
115.07681	0.5
123.00900	1.0
124.01680	0.5
125.02491	1.3
129.07118	0.3
131.05064	0.7
149.02448	0.4
149.99590	0.2
151.00391	1.4
155.05051	0.3
158.03714	0.2
159.04497	0.3
169.01448	0.7
173.02448	0.4
173.06102	3.1
174.06358	0.2
175.07626	0.2
186.03134	0.2
186.99025	0.1
191.65747	0.2
199.03854	0.2
207.08186	0.2
209.11827	0.2
211.07681	0.3
214.02708	0.5
215.07141	0.2
232.81560	0.2
235.07741	0.3
237.05655	0.2
238.06354	0.2
239.07161	0.2
240.04214	0.3
241.05037	0.5
242.02232	2.1
243.02913	0.4
251.07127	0.3
255.02644	0.2
257.00919	0.2
258.01672	0.3
263.03632	0.2
263.07120	0.4
265.05075	0.3
267.02954	0.9
271.02539	0.2
272.03101	0.2
279.06570	0.4
281.04553	1.7
281.08096	0.5
282.01721	0.5
282.05237	1.3
283.02451	0.7
283.05673	0.3
285.03885	0.3
295.02493	6.1
295.05377	0.2
296.02682	0.8
297.07681	0.6
307.06122	4.1
307.19431	0.2
308.06570	0.3
309.04037	15.5
310.04724	7.1
311.05209	0.6
325.07172	100.0
326.07510	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31027	0.3
59.01369	1.4
60.78570	0.3
65.00317	0.5
70.06261	1.4
83.01402	0.7
98.20582	0.3
107.01398	0.6
108.75939	0.3
112.06889	0.3
123.37321	0.3
125.02456	0.5
134.04768	0.5
141.67241	0.3
151.00414	1.5
155.05038	0.6
172.47098	0.3
173.06073	1.1
191.08601	0.4
197.06145	0.7
199.04039	2.4
207.08124	1.0
209.06099	0.3
209.09767	0.3
211.07758	0.7
214.02722	0.6
229.01462	0.9
230.02216	2.5
233.06151	0.4
235.07658	2.0
237.05620	0.7
239.07130	1.2
241.05009	0.5
242.02182	3.8
243.02847	1.2
244.03746	0.4
251.07104	0.5
253.08678	0.3
257.00891	0.9
257.08160	0.4
258.01666	1.7
263.07126	5.6
264.04236	0.5
264.07251	0.4
265.05035	2.1
266.05722	0.6
267.02914	1.5
267.06488	0.4
270.01566	0.6
279.06613	1.3
281.04578	4.0
281.08170	1.0
282.01840	0.4
282.05145	0.8
283.02512	1.7
295.02463	2.5
295.05777	0.6
296.03091	0.4
297.04565	0.5
297.07663	2.6
306.05362	0.9
307.06116	34.7
308.06497	4.2
309.04037	3.5
310.04813	4.9
323.05389	0.4
325.07184	100.0
326.07504	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	325.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09216	0.1
59.01326	0.4
69.81244	0.6
69.81654	0.3
97.06440	0.1
98.20591	0.2
109.83472	0.1
116.65745	0.1
125.06052	0.3
129.62814	0.1
157.02885	0.2
167.04990	0.4
171.04439	0.2
195.04439	0.6
196.25938	0.1
218.55408	0.2
223.04022	1.5
225.01955	0.3
241.01465	0.1
241.99937	0.1
242.02168	0.6
248.04739	0.1
263.07135	1.3
265.05008	0.4
267.02969	13.6
268.03326	0.9
269.00839	1.0
281.04672	0.3
281.08167	0.7
282.02011	0.2
283.02670	0.1
293.14023	1.0
295.02454	0.2
307.06125	13.4
308.06570	1.7
309.04037	24.0
310.04459	3.5
325.07172	100.0
326.07507	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	325.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82816	0.2
59.01375	1.3
61.04941	0.2
65.59711	0.2
70.01307	0.2
71.04316	0.2
81.96221	0.2
83.05019	0.3
91.44824	0.2
125.06091	0.5
134.04768	0.2
149.75508	0.2
158.03749	0.7
161.02444	0.3
170.03796	0.7
172.01640	1.2
175.07686	0.4
179.14424	0.3
183.04456	0.6
185.02518	0.4
186.03210	2.1
198.03218	1.0
199.03851	0.4
200.01251	0.3
200.04816	0.3
211.03909	0.4
212.04692	0.7
213.01904	0.7
214.02707	6.8
215.03131	0.4
223.04079	0.6
226.02673	1.3
227.03520	4.4
228.04282	3.9
239.07176	0.3
241.01376	0.3
242.02206	41.3
243.02530	4.0
254.02240	1.4
255.02971	7.6
256.03735	10.9
257.04071	0.9
263.07108	1.1
265.04974	0.5
266.02121	0.3
267.02951	5.0
268.03400	0.7
279.06699	0.8
280.07132	0.3
281.04532	0.8
281.08200	1.5
282.01700	12.3
282.04645	0.4
283.02213	2.2
288.02695	0.5
293.13797	1.5
295.02533	0.7
297.07651	4.0
307.06107	6.8
308.06528	0.9
309.04025	1.7
310.04715	1.0
325.07169	100.0
325.19699	2.0
326.07507	12.0
326.23175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10100	0.3
59.01368	2.0
61.98840	0.4
93.03470	1.5
98.19919	0.9
107.84637	0.3
113.90984	0.3
118.27984	0.3
125.06084	1.0
131.05025	0.3
133.02988	0.3
139.04013	0.9
143.05054	0.5
148.12648	0.3
155.05066	0.8
157.03004	0.4
158.03770	2.4
161.02444	0.8
162.37346	0.3
170.03790	0.9
171.04498	0.7
172.01660	2.7
173.02309	0.6
179.66898	0.3
185.02521	1.0
186.03249	3.8
187.03917	0.3
198.03270	1.3
199.04033	1.9
200.01149	0.6
201.02109	0.3
212.92200	0.3
213.01985	0.4
214.02718	15.3
215.03282	2.0
241.01413	0.6
242.02203	100.0
243.02892	27.6
244.03282	1.6
257.00922	2.4
263.07224	0.5
269.00854	3.7
281.08020	0.7
282.01648	1.2
293.13950	2.7
295.02615	0.6
297.07690	0.8
307.06171	2.2
310.04446	0.4
325.07175	89.6
325.16425	2.7
325.20081	1.0
326.07513	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0355
Annotation	Irisoid D
Peak:m/z	Relative Intensity
50.49841	0.2
55.01863	0.2
59.01380	2.0
61.98827	0.3
65.00327	0.3
68.86848	0.2
71.01398	0.2
71.05027	0.2
71.71585	0.2
79.01898	0.2
81.03456	0.4
83.01410	0.4
83.05029	0.3
85.02966	2.0
85.06587	0.6
87.00874	0.3
93.03494	0.3
95.05035	0.6
97.06570	0.3
99.04536	0.5
99.08158	0.2
101.02459	0.2
107.01408	0.2
108.02179	0.4
109.02954	0.3
109.06579	0.3
111.04549	1.0
113.06087	0.4
117.03480	0.3
121.03018	0.2
121.06634	0.2
123.04551	1.0
123.08147	0.5
125.02447	0.4
125.06081	1.1
125.09682	0.3
127.07642	0.7
130.04250	0.2
131.05070	0.2
135.00850	0.3
139.04042	0.3
145.02963	0.3
145.06624	0.3
151.00386	0.8
151.03984	0.3
151.07654	0.8
151.08823	0.2
153.09207	0.6
155.07175	1.7
155.10841	0.3
155.51910	0.2
165.09239	1.0
166.06282	0.3
166.77971	0.2
167.03506	0.4
167.04970	0.3
171.10277	0.8
173.02432	0.7
174.03229	0.3
175.04147	0.4
177.01903	0.3
177.05650	0.3
179.03499	0.2
181.05096	0.4
181.06613	0.2
182.03795	0.5
183.04498	0.6
185.02400	0.4
185.06041	0.2
185.11853	0.9
186.03320	0.2
193.05080	0.3
193.08717	1.6
194.05873	1.0
195.05009	0.2
195.06662	2.3
197.06099	0.4
197.11794	0.8
198.03195	0.5
198.05225	0.4
201.01746	0.3
209.06090	0.4
209.11829	3.3
210.03186	0.4
211.04100	1.0
211.05798	0.2
214.02730	1.1
215.03491	0.5
217.01451	2.6
221.08163	0.9
223.09854	0.2
223.24213	0.2
225.05588	1.0
226.02737	0.6
227.03493	1.9
227.12968	0.3
228.04326	1.3
229.01413	0.8
229.04990	0.8
230.02194	0.3
235.02498	1.1
237.01920	0.2
237.07681	0.5
238.02737	1.0
238.12144	0.3
239.03407	0.9
241.01337	0.3
242.02193	0.8
245.18962	0.2
249.07748	0.4
251.03424	0.6
253.05038	1.6
253.08665	0.3
254.02174	1.2
255.02974	4.1
256.03757	2.2
257.04550	2.3
258.04996	0.2
262.35229	0.2
263.06982	0.3
264.04077	0.2
265.05054	0.2
265.10782	4.4
265.13434	0.3
267.02954	1.4
267.08578	0.3
268.03729	0.4
269.04483	1.5
279.06598	0.3
280.03778	0.3
281.04581	10.4
281.07886	0.7
282.01736	9.7
282.04907	1.0
283.02454	5.1
283.05811	0.4
284.02722	0.4
288.02759	2.1
289.18057	0.7
293.13904	2.2
294.14102	0.2
295.02448	0.3
296.03192	0.7
297.04016	0.9
297.07657	2.1
298.08185	0.3
307.02667	0.4
307.06076	0.9
307.11838	0.4
307.19138	4.0
308.12604	0.3
310.08493	0.2
314.00723	0.6
324.02859	0.3
325.03497	100.0
325.07178	25.6
325.20053	3.3
326.03839	11.1
326.07526	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	323.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89969	0.5
51.64143	0.4
52.20205	0.3
52.47107	0.4
55.01867	1.0
57.03459	0.8
59.01384	4.1
61.98840	0.4
63.91293	0.4
66.88325	0.4
68.99802	0.5
70.44630	1.8
75.00875	2.4
77.54978	0.4
79.01910	1.6
79.05537	1.1
80.88615	0.4
83.05062	0.9
85.02961	0.5
85.06596	1.0
87.00877	0.6
87.04525	1.7
95.01382	0.5
95.05074	1.0
97.06577	0.8
98.19940	0.6
108.02185	3.6
109.02990	1.4
109.06615	0.9
111.00924	0.9
111.04536	16.1
111.08199	0.4
113.02534	0.5
121.06611	0.5
122.03796	0.8
123.00861	0.5
123.04536	3.7
123.08139	2.1
124.01680	1.5
125.02475	1.9
125.06113	3.9
135.04532	0.8
135.08167	1.7
137.02475	2.2
137.06090	1.7
139.04068	0.9
140.04814	1.9
141.05598	2.2
147.08150	0.5
147.86679	0.4
149.09706	1.1
150.06850	0.9
151.00406	6.8
151.04022	1.1
151.07640	3.0
152.04785	0.5
155.07179	0.6
161.06067	0.4
163.04015	1.5
165.05556	0.9
165.09267	1.2
165.16379	0.4
166.06378	7.7
167.03459	1.4
167.10828	0.9
168.04259	0.5
171.06662	1.7
176.08488	1.4
177.05583	1.7
177.09190	1.1
178.06383	3.4
179.07164	15.2
179.08766	0.8
179.35219	0.4
180.07736	1.5
181.05104	0.9
183.03003	1.9
183.10274	0.7
191.03476	1.4
191.10771	2.5
192.07938	0.9
193.05165	0.5
193.08704	4.1
194.05847	12.9
195.06644	19.3
196.06895	1.0
197.08214	0.6
198.05362	6.8
199.06049	1.4
203.07149	0.5
203.14415	1.4
205.05049	1.1
205.08722	0.5
207.10332	3.0
209.08278	2.6
210.05357	0.5
211.09764	4.2
219.13861	2.4
220.11110	0.5
221.11812	1.1
229.12352	0.5
235.09746	4.5
236.10283	0.6
237.07813	1.1
243.02957	10.4
244.03297	1.4
247.13397	12.4
248.13721	1.1
249.14944	3.3
250.25645	0.5
253.07184	1.2
263.12894	21.4
264.13312	2.3
279.16040	1.3
291.12366	2.2
305.13977	0.9
323.15015	100.0
324.15344	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	323.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
59.01386	3.2
69.37424	5.3
71.01392	0.5
71.43694	0.5
74.16335	0.4
75.00864	3.2
79.01904	3.0
85.02951	0.9
85.06613	0.6
87.00896	0.7
87.04514	1.9
95.01412	0.5
95.05029	1.5
97.06591	0.6
101.06078	0.5
108.02192	3.0
109.02937	1.4
111.00924	0.7
111.04530	18.3
112.04873	0.9
113.02453	0.7
122.03728	0.7
123.04558	3.0
123.08163	2.5
124.01668	1.0
125.02418	1.3
125.06104	2.8
135.04538	0.8
135.08165	1.7
136.05333	0.6
137.02449	1.4
138.92062	0.5
139.04002	0.9
140.04810	2.5
141.05598	3.6
150.06882	1.6
151.00391	7.3
151.04018	1.2
151.07640	2.7
159.08310	0.5
161.06056	0.6
163.03992	1.0
165.05650	0.6
166.06360	8.3
167.03552	1.1
167.06728	0.5
169.04965	0.5
171.06697	2.9
176.08389	1.1
177.05565	1.3
177.09175	1.7
178.06393	3.1
179.07147	13.9
180.07800	1.6
183.03023	1.4
193.05074	0.4
194.05844	15.3
194.09668	0.5
195.06645	16.2
196.06958	0.7
198.05363	8.8
199.06029	1.9
203.14445	2.7
205.08781	0.6
219.13829	2.8
229.12279	0.7
243.02905	0.5
247.13382	14.9
248.13789	1.3
249.14912	3.9
253.07147	0.8
263.12875	25.5
264.13226	2.0
273.11334	0.8
279.16058	1.3
291.12253	3.3
314.25244	0.4
323.15002	100.0
324.15314	10.6
339.60049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60154	0.9
55.01879	1.8
57.03447	4.5
59.01391	8.0
68.99809	2.1
69.03485	1.0
71.05030	9.8
71.72014	1.0
73.02969	1.3
79.01893	4.4
79.05537	1.4
81.03463	2.2
83.05035	1.1
85.02960	1.9
87.00885	1.5
95.01416	2.0
95.05041	4.8
97.02963	3.2
99.08167	17.8
100.91573	0.9
101.06103	3.9
107.05028	2.6
109.02972	1.4
109.06587	1.7
111.00938	1.7
111.04542	2.3
111.08145	2.9
113.09719	1.4
121.06615	1.8
123.00867	1.0
123.04599	0.9
124.01659	2.9
125.02468	10.2
125.06099	22.1
125.09742	3.2
135.04561	1.8
135.08188	3.0
137.09760	12.0
139.04066	0.9
139.07681	12.0
139.40662	1.0
148.05399	1.2
149.09642	1.2
151.00410	5.9
151.04141	1.1
152.04808	3.3
152.11671	0.9
153.01927	1.1
153.05577	3.9
153.09166	4.9
153.12985	2.0
155.10800	8.7
156.33975	1.1
163.03966	2.4
165.05569	2.5
165.09261	6.6
169.08711	2.2
177.05588	1.7
177.09218	4.1
179.03610	2.3
179.07179	3.2
180.04282	4.9
180.07956	1.1
181.05025	2.7
181.08749	1.6
181.12354	3.7
183.06502	1.1
187.72667	1.0
191.07164	7.7
191.14430	1.1
192.07921	3.6
193.08745	1.4
195.06676	1.1
197.08234	2.2
205.12325	4.6
208.07443	5.3
209.08215	100.0
210.08562	8.1
212.06921	2.4
219.03320	1.1
219.13896	3.5
221.08220	2.2
223.13455	7.9
233.15536	4.7
236.06953	1.1
237.07671	11.7
243.14128	1.5
249.11104	1.2
261.14948	13.4
262.15222	1.9
282.44156	1.0
292.87811	0.9
305.13916	3.4
306.14740	9.4
323.05670	1.1
323.15015	9.5
323.22037	1.0
324.15323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91600	0.9
55.01886	1.5
57.03452	2.9
59.01377	9.7
68.99825	1.8
70.30314	1.0
71.05020	8.9
79.01904	4.3
81.03485	2.3
83.01398	1.0
85.02964	2.6
95.01407	1.0
95.05042	5.2
96.96038	1.1
97.02963	3.4
97.06589	0.9
97.85115	0.9
99.08172	17.7
101.06120	5.7
107.05048	2.6
109.02950	1.3
109.06650	1.6
111.04564	2.2
111.08179	1.4
113.02498	1.3
121.06623	2.4
124.01714	1.9
125.02467	10.4
125.06098	21.5
125.09765	3.2
135.04596	1.6
135.08177	3.3
137.09741	10.3
139.04050	2.7
139.07669	12.5
147.08249	1.2
149.09767	1.2
151.00391	7.1
151.04013	1.5
152.04854	3.9
153.05545	3.1
153.09259	7.1
153.12843	2.6
155.10768	7.4
163.04012	2.5
165.05586	2.0
165.09222	7.8
169.08708	2.8
177.05710	1.1
177.09216	2.9
179.03474	1.9
179.07198	3.8
180.04271	3.9
180.07846	1.3
181.05042	2.6
181.08766	2.0
181.12378	2.2
183.06670	1.5
184.03833	1.7
188.99538	1.1
191.07146	7.8
191.10886	1.4
192.07895	1.7
193.08696	2.3
195.06575	2.2
195.13876	1.2
197.08202	1.4
203.10878	1.0
205.12447	2.8
207.10126	1.3
208.07489	5.3
209.08205	100.0
210.08568	6.5
212.06886	1.3
219.13873	3.6
221.08180	2.5
223.13422	5.8
233.15485	4.4
236.06877	1.4
237.07646	9.7
261.14935	13.4
262.15155	1.0
277.14221	1.1
294.60034	1.0
305.13989	2.3
306.14734	8.8
307.15118	1.4
313.09802	1.0
323.15002	11.0
323.22302	1.4
324.15237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26074	1.1
57.03444	3.9
59.01376	19.2
59.71430	1.1
60.01687	1.2
67.71598	1.2
68.99853	2.0
71.01379	2.3
71.05026	6.5
71.72773	1.9
79.05579	2.0
81.03471	2.0
85.02962	40.5
87.00893	2.1
91.01902	2.3
91.33821	1.2
93.07156	1.1
95.01407	1.4
97.02952	1.6
99.08178	10.6
101.06097	5.8
108.02185	1.7
109.02972	8.0
109.06609	2.3
110.00093	1.3
111.04517	1.4
111.08154	2.6
113.02484	2.1
123.08183	27.5
124.08514	1.8
125.02438	1.8
125.06094	18.1
127.07703	6.5
133.06606	3.2
135.08192	2.0
137.02495	1.7
137.09703	2.0
147.08188	1.8
149.06157	1.7
149.09839	2.0
151.07645	2.7
153.09221	2.6
163.00410	7.9
164.04845	1.3
164.08429	1.3
165.09247	10.1
169.08728	21.1
175.07681	1.8
177.05627	1.7
177.09161	5.7
179.07141	5.8
184.59570	1.3
189.05624	1.3
189.12769	1.7
191.14449	5.5
192.07973	7.9
193.08694	2.5
195.06668	5.2
205.05121	3.8
205.08720	1.3
209.15576	6.2
219.13857	2.6
220.07417	4.2
220.10997	1.4
221.08087	4.5
233.08147	1.4
233.15521	1.4
233.54614	1.3
235.13368	1.9
243.13834	2.0
245.11826	1.8
247.09959	1.3
248.10588	1.5
261.14960	49.7
262.12180	1.8
262.15234	5.1
263.12891	100.0
264.13290	12.7
277.14224	1.4
294.52145	1.3
305.13907	5.4
306.14664	5.4
307.14966	1.5
323.14954	12.2
323.18326	2.3
323.22037	1.3
324.15527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70281	0.9
51.03592	0.9
55.01887	1.6
56.62022	0.8
57.03440	1.3
58.00591	3.5
59.01381	81.3
60.01707	0.9
62.95607	0.8
70.05596	1.9
70.06005	2.9
71.01387	44.0
72.99313	2.6
73.02974	1.7
83.01409	1.5
85.02962	7.6
89.02456	43.5
95.01378	2.5
98.05902	0.9
99.08143	1.0
101.02457	27.1
113.02458	16.3
119.03525	20.0
131.03481	1.2
143.03522	2.6
149.04549	1.7
161.04546	1.5
179.05621	3.2
323.13477	100.0
324.13754	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87093	0.4
57.03445	1.6
59.01381	100.0
60.01711	0.9
71.01385	7.0
73.02961	2.0
83.01420	1.0
83.05035	0.6
85.02968	2.5
89.02468	2.7
99.00902	0.5
99.04571	1.4
101.02443	4.8
101.06110	1.3
113.02464	3.5
113.03185	0.6
119.03559	1.3
125.02512	0.7
134.82816	0.5
143.03560	1.5
144.45218	0.5
150.62180	0.4
154.54660	0.5
161.04570	6.0
161.05664	0.5
161.08221	0.6
179.05647	1.1
185.05278	0.5
218.14485	0.6
263.11301	4.0
323.10104	0.7
323.13138	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
58.00585	2.9
59.01380	78.7
70.33398	1.4
70.33762	3.0
71.01388	41.9
72.01731	1.4
72.99316	2.1
82.78691	0.7
83.01402	1.9
85.02966	8.0
87.00898	1.7
89.02454	45.8
90.02779	1.1
95.01413	3.8
99.08154	0.9
100.27197	0.8
101.02457	27.1
113.02464	17.0
116.33385	0.7
119.02645	1.1
119.03519	21.5
131.03571	1.1
132.28561	0.8
143.03490	1.8
143.07153	1.2
149.04605	1.6
151.56830	0.6
161.04590	1.7
161.08235	1.5
179.05655	2.9
323.13480	100.0
324.13837	9.2
341.83105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18797	1.2
55.01862	1.7
57.03450	44.7
58.00587	4.3
59.01379	100.0
60.01717	1.4
63.40612	1.1
69.03458	1.2
71.01387	59.8
71.70478	2.9
72.99304	1.5
73.02950	33.8
75.00859	1.6
81.03481	2.2
83.01402	4.4
85.02948	11.4
87.00863	2.5
87.10380	1.1
89.02452	65.7
90.02772	1.6
95.01392	4.6
97.06599	1.3
99.00883	4.6
99.04530	53.0
100.04886	1.5
101.02459	45.4
106.96073	1.1
113.02465	28.5
113.06095	1.8
117.01953	52.2
118.02281	1.2
119.03523	24.7
123.04533	6.0
125.02460	18.4
131.03496	4.0
141.05606	1.8
143.03519	10.2
149.04556	4.3
161.04576	50.5
162.04845	1.6
172.27742	1.3
179.04091	2.0
179.05643	31.4
198.49260	1.4
203.05623	3.8
217.94527	1.3
218.17039	1.3
222.71185	1.1
233.06659	2.5
259.18585	1.2
263.07700	7.7
312.91144	1.3
317.66220	1.4
323.09885	10.8
324.09845	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	322.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39822	0.8
52.20992	0.8
59.01381	7.1
60.01693	1.1
61.98830	15.6
62.31536	0.9
65.45792	0.8
69.45208	5.3
69.45635	3.9
75.41313	0.9
89.02428	1.1
93.55364	1.0
98.20694	1.7
149.02481	1.3
159.04428	1.2
171.04541	1.6
173.02422	1.0
180.73735	1.0
187.03978	1.5
189.01926	0.9
191.03549	1.5
215.03548	4.7
231.03101	1.1
238.74829	1.1
259.02469	100.0
260.02802	6.7
323.02100	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	323.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	40.5
58.00580	4.9
59.01380	100.0
70.87987	5.0
70.88361	5.2
71.01390	50.6
72.99314	2.5
73.02960	12.7
80.01483	2.0
83.01369	4.9
85.02962	12.7
89.02457	61.4
95.01353	2.8
99.04536	54.5
101.02455	38.5
111.00887	2.5
113.02452	25.9
117.01899	4.6
119.03521	21.8
123.04542	8.0
125.02494	13.7
131.03534	6.2
143.03552	12.6
149.04579	4.5
150.98558	2.5
161.04570	64.4
173.04599	2.9
179.05643	34.2
203.05673	4.3
263.07617	9.1
323.09726	11.9
323.13525	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	321.1707
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
55.01881	0.4
57.03436	0.6
59.01386	2.2
62.34489	0.5
65.00346	0.5
67.05552	0.4
67.73737	0.4
68.99810	1.3
71.05045	0.5
71.18037	0.7
71.18391	0.8
80.02665	0.8
81.03449	2.3
83.05050	0.5
85.02957	0.6
85.06599	4.5
87.04520	3.3
94.77215	0.4
95.01361	0.7
95.05037	5.6
97.02959	0.6
97.06597	0.8
100.63814	0.4
107.05054	0.7
108.02205	0.5
109.02974	1.4
109.06609	3.8
111.00902	1.0
111.04529	23.4
112.04878	0.9
113.06086	0.9
119.05016	0.7
121.06617	3.6
123.08163	1.6
125.02453	1.3
125.06099	0.7
133.06590	2.1
136.05290	1.3
137.05991	0.5
139.07710	0.8
147.08150	2.9
149.09746	1.2
151.04018	0.4
151.07639	4.1
165.05438	0.5
165.09187	0.8
166.06270	0.6
167.03510	0.7
167.07127	0.8
167.10713	0.4
168.04260	0.6
169.05058	1.1
177.09193	0.6
179.07109	0.5
181.05080	15.7
182.05376	0.7
185.25682	0.5
189.12808	0.5
189.68365	0.4
190.10014	0.7
195.06635	7.3
200.03259	0.5
207.06660	0.6
223.06180	2.0
224.06856	2.8
233.12022	0.4
235.09721	0.4
241.16034	0.5
242.79410	0.4
251.12944	0.4
277.10818	0.9
303.12656	0.7
303.15985	0.8
321.13513	9.4
321.17050	100.0
322.14041	3.8
322.17419	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	321.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52164	0.3
57.03432	1.2
59.01384	5.1
61.98807	0.4
65.00326	0.6
67.05524	0.7
68.99821	1.6
69.03455	0.5
71.01385	0.9
71.03952	0.8
71.05035	0.8
79.01945	0.4
80.02672	0.8
81.03471	3.6
83.05043	0.9
85.02945	0.4
85.06600	4.6
87.04520	2.5
91.01919	0.4
95.01405	0.9
95.05045	4.5
97.02935	0.7
97.06596	1.9
99.00876	0.3
107.05063	0.8
108.02188	1.3
109.02966	2.6
109.06596	4.7
110.91443	0.3
111.00919	0.7
111.04536	26.2
112.04852	1.0
113.02494	0.3
113.06091	1.1
119.05063	0.8
121.02991	0.5
121.06610	9.0
122.06969	0.4
123.08186	1.3
124.01717	0.4
125.02460	1.9
125.06071	0.9
125.45433	0.3
133.06636	3.6
135.04535	0.6
136.05307	1.4
137.02495	0.3
137.06070	0.7
137.09743	0.5
139.03987	0.4
139.07681	0.4
141.05595	0.4
147.08171	6.7
147.11876	0.4
149.09753	1.2
151.00426	0.4
151.03975	0.4
151.07677	5.3
152.04761	0.4
153.02005	0.4
159.04573	0.4
160.05338	0.7
163.04018	1.0
163.07692	0.5
165.05542	0.4
165.09184	2.1
167.03500	0.6
167.07158	0.7
169.05148	1.6
173.09680	0.4
177.05624	0.5
177.09215	0.9
179.07129	2.6
180.39548	0.3
181.05074	9.5
182.02272	0.5
182.05621	0.4
188.08492	0.6
189.09198	0.5
189.12813	0.4
190.09946	0.4
191.07059	0.6
191.10680	0.4
195.06650	7.2
197.08167	0.4
207.06631	0.9
223.06136	4.3
224.06853	5.4
225.07262	0.4
230.09445	0.6
233.11946	0.4
235.09697	0.7
241.15887	0.6
251.12813	0.6
259.13397	1.0
275.12766	0.7
277.10855	4.6
278.11160	0.5
293.14053	0.4
303.12378	2.4
303.15695	0.6
321.13400	35.9
321.17065	100.0
322.13748	4.0
322.17426	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67073	0.3
50.93311	0.3
55.31837	0.3
56.99519	0.3
59.01379	100.0
59.82327	0.3
60.01714	1.0
61.35689	0.3
69.56261	2.6
70.12160	0.2
71.01395	2.2
78.88868	0.3
85.02975	0.5
85.06627	0.3
89.02454	4.1
97.06596	0.5
101.02444	1.5
109.02948	0.7
111.04538	1.0
113.02483	1.2
119.03502	1.7
121.06624	1.2
161.04657	0.4
163.04008	0.5
165.09245	0.4
179.05685	0.7
179.07112	0.6
214.98314	0.3
220.93773	0.3
224.06935	1.0
275.12885	0.4
275.65320	0.3
277.10809	0.9
321.13419	10.4
322.13531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73278	0.3
50.79094	0.4
54.89925	0.3
59.01381	100.0
60.01721	1.0
61.21436	0.4
69.89341	1.8
69.89748	0.5
70.12199	0.4
71.01395	1.8
72.89452	0.3
72.99332	0.6
73.02956	0.8
75.00875	0.3
78.45181	0.3
81.10024	0.3
83.01398	0.5
85.02971	0.7
89.02469	0.6
99.00891	0.4
101.02461	1.7
109.36333	0.4
113.02457	0.6
119.05084	0.9
120.99676	0.6
161.04594	0.9
163.04041	2.2
175.06210	0.9
179.07089	0.5
191.05690	0.5
245.12793	0.6
261.13440	5.0
321.13852	2.7
328.07755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73724	0.4
55.01875	0.7
57.03427	1.1
58.00593	1.2
59.01380	42.6
60.01695	0.6
65.63199	0.4
71.01388	18.6
72.99318	2.0
73.02953	1.9
83.01396	1.7
85.02968	4.2
87.00896	1.4
89.02455	15.9
89.02998	1.0
91.58692	0.5
95.01408	1.8
98.20660	0.9
99.00897	0.7
101.02458	13.3
111.04558	0.7
111.08186	0.6
113.02451	6.7
113.09741	23.4
114.10050	1.0
115.92075	0.6
119.03518	6.4
127.11292	0.7
141.09256	5.3
143.10825	1.4
155.10768	2.9
159.10287	58.0
160.10643	2.3
169.01086	0.5
179.05692	0.9
201.11305	1.8
228.21001	0.5
253.64149	0.5
265.40973	0.5
321.15582	100.0
322.15927	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90440	0.4
59.01381	100.0
60.01729	1.0
71.01390	2.9
71.26861	1.1
80.25942	0.4
80.86180	0.4
87.28070	0.4
87.57656	0.4
88.66700	0.4
89.02454	3.2
95.72055	0.4
99.92588	3.1
101.02493	1.5
106.25607	0.4
113.02504	1.3
115.92084	2.6
116.92907	1.4
119.03538	1.2
159.10333	0.9
168.96033	0.9
179.05722	0.9
303.03375	0.7
321.04544	1.1
321.13193	0.5
321.16306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1343
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
57.62828	0.4
59.01381	7.1
68.99773	0.3
71.01369	0.6
71.71777	0.5
79.01893	1.3
85.02951	0.4
85.06595	4.4
87.04543	1.1
95.05013	0.4
96.96002	0.5
97.06603	6.8
101.88563	0.4
107.01418	0.7
109.02971	6.0
109.06577	2.1
111.00906	0.5
111.04534	13.3
112.01653	0.5
112.04858	0.5
113.06110	0.8
118.07723	0.4
121.06614	14.2
124.01625	0.5
125.02447	0.8
134.76376	0.4
135.00880	0.5
135.08208	0.5
136.05347	0.7
137.02499	0.5
137.06099	1.7
137.09727	0.6
141.09230	0.7
147.08194	1.0
151.00415	0.7
151.04095	0.4
151.07619	0.9
153.01978	1.1
163.04044	4.5
163.07649	2.0
164.71426	0.4
165.05571	1.3
165.09256	2.8
177.05624	0.7
178.06354	0.7
179.07156	8.7
180.04198	0.4
180.07658	0.4
181.05185	1.1
182.02209	1.1
187.03979	0.5
187.07671	0.7
189.09274	0.9
190.06435	0.6
191.07144	1.2
193.05038	0.5
194.05919	0.4
195.06619	1.6
197.08203	0.5
205.05098	1.9
205.08698	1.2
207.06601	0.5
215.07272	0.4
217.05098	0.7
218.05809	0.4
223.06163	2.5
224.06909	11.3
225.07286	0.7
230.09439	0.5
231.13907	0.6
233.08246	1.0
233.11864	1.1
234.25079	0.4
249.11351	1.2
257.11844	1.1
259.09637	0.7
259.13400	1.1
260.10373	0.4
274.08420	1.3
275.12964	2.2
275.71436	0.4
277.10797	7.9
277.13852	0.7
278.11151	0.8
285.11337	0.7
295.12494	0.4
303.12411	1.7
304.12665	0.5
321.13440	100.0
322.13809	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	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.7
62.35880	0.4
69.89483	0.4
70.96964	1.3
71.01385	3.0
72.99296	0.6
81.03461	0.6
83.05051	0.8
85.02960	4.5
87.00879	0.6
87.92398	0.5
88.15795	0.3
89.02453	1.6
90.62189	0.4
92.40051	0.4
93.03464	0.6
95.01414	0.5
95.05033	6.7
97.06601	47.3
98.06932	1.4
101.02437	1.2
111.04521	0.6
113.02470	3.3
115.07660	10.7
139.07672	1.2
141.05611	1.2
143.03438	0.5
149.06158	0.5
155.07202	0.5
159.06645	100.0
160.06966	4.6
161.04610	0.6
173.08205	1.4
182.67500	0.3
183.06642	8.8
184.07095	0.4
191.05638	1.1
192.05940	0.7
201.07732	1.9
233.08342	0.4
245.12930	0.5
247.14294	0.4
257.33582	0.4
261.09811	0.5
321.11600	0.8
334.75522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33770	1.3
55.01878	1.6
59.01382	10.6
61.98833	97.4
69.09297	1.3
70.64904	1.2
85.02958	1.6
85.06602	2.6
87.04524	1.6
95.05004	1.9
98.20647	3.0
105.07941	1.6
109.03037	1.8
109.06642	2.0
111.04532	31.0
113.50397	1.6
121.06613	5.0
123.08212	2.6
125.02447	4.7
125.06093	1.5
134.09781	41.5
135.10197	1.5
147.08267	3.3
151.07666	1.8
151.48479	1.3
165.09277	1.9
175.10083	2.3
181.05057	5.2
190.12390	100.0
191.12700	4.5
195.06636	17.0
223.06114	7.0
224.06883	10.3
229.45750	1.6
232.16988	1.7
276.16043	24.1
302.14020	3.6
320.15155	22.0
321.13397	19.1
321.17062	52.0
332.96396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39219	0.4
57.03441	1.2
59.01366	0.7
71.01376	0.4
71.04025	1.1
72.99314	24.0
73.99635	0.4
75.00445	0.9
75.00878	18.9
85.03012	0.4
87.04501	0.5
99.08189	0.5
109.47738	0.5
162.59081	0.5
173.34982	0.5
179.90903	0.5
216.56363	0.5
243.12369	60.0
244.12735	4.4
249.96715	0.5
257.13950	8.5
258.14154	0.8
273.13419	0.6
301.12814	0.7
319.14001	100.0
320.14325	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37669	0.5
55.01885	0.7
57.03446	1.0
57.98118	0.5
58.00592	1.3
59.01381	42.6
69.61758	4.6
71.01389	21.5
72.99313	8.7
75.00889	5.9
82.44090	0.5
83.01386	1.3
85.02968	5.2
89.02456	20.1
95.01399	2.0
101.02455	14.5
110.78422	0.5
113.02474	7.9
119.03512	7.7
125.02439	1.7
131.03523	0.8
139.07672	11.7
143.03505	0.9
149.04529	0.6
157.08716	1.7
179.05586	0.8
243.12349	19.1
244.12753	1.7
257.13925	1.9
301.12869	0.8
319.13986	100.0
320.14362	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.66586	0.6
51.50671	0.6
55.01868	0.8
56.52303	0.6
57.03458	1.1
58.00592	1.1
59.01382	21.0
60.24844	0.6
69.96854	4.1
71.01387	13.9
72.99314	10.5
73.02946	2.0
74.99058	0.9
75.00874	7.9
79.81926	0.6
83.01399	1.6
85.02950	4.5
87.00881	1.1
87.19116	0.7
89.02454	9.8
94.66786	0.6
95.01361	1.3
101.02467	7.7
101.06097	1.1
110.96922	0.6
111.08169	12.0
113.02454	3.8
119.03491	3.9
119.04939	0.7
120.99665	1.3
131.27988	0.6
135.98369	1.4
136.99153	1.2
139.04044	1.2
139.07660	4.3
145.02937	1.7
153.09282	0.7
157.08717	37.9
158.09187	1.3
183.03023	1.5
199.09804	1.9
243.12347	24.3
244.12674	1.4
257.13983	2.9
259.15988	0.8
261.02118	0.6
275.09103	0.7
287.98099	0.7
319.13989	100.0
320.14288	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	319.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
58.00586	1.2
59.01381	25.2
69.61648	3.5
69.62080	4.4
71.01388	18.8
72.99326	7.3
73.02950	2.7
73.85480	0.9
75.00884	6.0
83.01374	2.0
84.04469	1.0
85.02956	7.3
87.00900	1.5
89.02458	12.7
93.03468	2.4
95.01377	1.0
95.05040	19.3
96.05346	1.1
97.02939	1.4
98.19900	2.3
100.27563	0.9
101.02460	10.6
109.06608	1.7
111.04575	1.0
113.02474	10.2
113.06104	100.0
114.06431	3.4
115.03967	0.9
118.66499	0.8
119.03491	3.9
120.99673	1.6
123.04548	1.2
127.07674	1.3
127.70770	1.3
134.50737	1.0
137.02487	1.2
137.06094	13.8
139.04010	2.2
139.14452	1.0
145.02965	2.4
149.06097	1.9
155.07172	1.1
157.05083	86.8
158.05379	2.8
161.04565	3.6
175.04083	2.1
179.05675	1.0
181.05080	4.9
186.98836	1.0
191.05623	6.2
195.51842	1.2
197.67178	1.0
199.06105	2.1
211.05104	3.6
213.05685	1.4
233.04526	3.9
241.05031	4.0
243.12372	17.4
256.07428	2.4
257.13889	2.1
259.08292	1.3
271.09747	3.4
319.10236	3.9
319.13895	31.2
320.14206	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	319.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.2
55.15612	0.4
59.57597	0.4
66.80505	0.3
69.03490	0.6
69.58279	2.2
69.58690	0.6
71.05023	7.3
72.99303	0.6
82.49898	0.3
83.01395	0.6
84.93347	0.3
93.03478	0.9
95.05041	17.8
96.05399	0.6
97.02965	24.1
98.03308	0.6
109.02972	13.8
110.03294	0.6
111.04482	0.4
115.04014	3.8
119.05082	0.4
121.03011	0.6
137.02467	1.5
139.04034	61.7
140.04379	2.6
153.01961	27.1
154.02261	1.3
165.01950	10.4
166.02284	0.6
183.03003	100.0
184.03349	6.0
211.43402	0.3
243.12344	0.9
263.37534	0.3
269.59216	0.3
319.14139	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	317.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01384	4.1
61.98834	0.4
69.03475	0.3
70.81342	0.3
70.81669	0.6
71.01389	23.5
71.05021	0.6
72.01739	0.5
77.68812	0.3
78.02065	0.2
79.01895	0.3
83.04547	0.4
83.05033	6.1
84.00769	0.3
84.05356	0.4
93.26247	0.2
95.05045	0.3
109.02975	1.5
109.06596	0.5
111.04514	0.7
121.06593	0.8
121.10267	0.4
123.08187	7.4
124.08511	0.3
125.02441	0.5
135.08167	1.4
148.82100	0.2
149.09749	0.4
149.13393	0.6
150.06876	0.4
151.00395	0.5
151.11275	1.8
153.01910	0.5
163.00392	1.1
165.09244	0.8
175.11296	1.3
177.09140	0.2
178.99834	0.5
186.19466	0.3
190.99892	0.6
191.10774	0.5
192.07922	0.3
193.12350	100.0
194.12691	8.6
206.24815	0.2
206.99339	0.5
237.11336	1.7
255.02946	0.4
260.72253	0.3
271.02438	0.3
272.79288	0.2
299.01990	0.8
316.34851	0.3
317.02963	0.3
317.06464	0.3
317.10245	0.3
317.13776	0.7
317.17599	4.0
317.21246	11.6
318.17896	0.8
318.21625	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	317.1759
Annotation	6beta-Isobutyryloxysenberginone
Peak:m/z	Relative Intensity
59.01373	0.5
65.00327	3.4
70.02466	2.0
79.95698	0.5
87.04523	0.4
97.02973	0.5
101.03997	0.7
109.02962	1.8
109.06612	0.3
110.00107	1.7
111.04530	12.7
111.17908	0.4
112.04887	0.4
115.03940	0.6
115.05591	0.6
115.74786	0.4
119.05078	0.6
125.02463	0.5
133.06602	14.4
134.06946	0.7
135.04529	0.7
136.98787	1.1
137.02454	2.2
138.66670	0.4
150.06851	0.6
151.04042	0.5
152.04803	13.2
153.01962	0.6
153.05182	0.6
163.00407	0.7
163.04021	0.8
165.01898	0.4
165.05583	1.5
166.45917	0.4
171.08160	0.6
177.05624	0.8
178.06395	1.0
179.07153	1.4
180.04295	21.4
181.04747	1.4
184.03772	12.5
185.04141	0.8
190.99821	0.6
191.07123	1.8
192.52203	0.3
193.05109	2.1
198.05354	0.5
205.05067	23.3
205.08678	18.6
206.05420	1.3
206.09004	0.7
206.99379	1.0
219.06770	0.5
219.10278	2.4
220.11040	12.5
221.11427	1.0
233.08186	17.4
234.08563	1.7
244.00105	0.5
247.09621	2.4
248.10522	29.1
249.10928	2.8
255.02888	0.6
271.99561	1.6
287.01849	1.3
299.01804	1.1
302.04440	0.8
317.06656	1.6
317.17575	100.0
318.17950	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	317.0668
Annotation	Padmatin
Peak:m/z	Relative Intensity
59.01374	1.1
65.00302	0.7
67.01894	2.4
68.99825	4.2
69.03455	2.2
70.46585	1.9
75.00881	1.3
81.03458	1.7
82.05670	0.5
83.01394	6.1
85.02943	1.9
93.03462	1.7
95.01408	0.9
95.05016	1.9
96.96024	0.8
97.02961	11.9
97.06630	0.5
105.03432	0.7
107.01396	0.9
108.02180	1.2
109.02969	18.8
110.03322	0.8
111.00875	2.2
114.58000	0.5
121.02975	5.5
121.35034	0.5
123.00891	1.7
123.04547	11.6
124.04868	1.0
125.02464	9.2
126.47617	0.4
130.87956	0.5
131.04982	0.8
133.02988	0.7
135.04544	1.2
137.02446	3.1
138.03221	1.3
139.04047	6.4
143.05042	1.0
145.02939	1.1
147.04517	0.6
149.02460	20.0
150.02875	0.9
151.00418	2.8
151.04033	6.5
153.01979	8.3
159.04538	2.3
160.05296	0.7
161.01218	0.5
161.02444	2.3
161.06046	2.7
162.03186	0.9
163.00426	3.1
163.04031	1.2
164.01160	0.9
165.01939	12.6
166.02733	3.2
167.03561	3.4
171.04530	1.3
173.06053	1.1
174.03215	0.8
175.04039	2.2
175.07611	1.1
177.01942	0.8
177.05576	0.9
178.99927	0.8
179.03548	1.8
183.04594	0.5
185.06081	1.2
187.04027	4.0
188.04749	2.1
189.05557	0.9
190.02692	1.1
190.99808	1.1
192.00603	2.0
193.01424	4.1
194.02165	0.8
195.02995	3.5
198.03311	0.8
199.03979	1.9
201.01942	0.6
201.05586	1.5
202.06316	1.1
203.03520	1.2
203.07167	7.3
205.01787	0.5
205.05063	7.5
207.02972	2.2
208.03812	0.8
211.03972	0.7
213.05507	1.4
215.03506	3.6
217.05081	0.5
221.08130	0.8
226.02577	0.5
227.03522	3.6
227.07062	1.7
227.12901	1.2
229.05055	3.6
230.02138	1.7
230.05779	1.1
231.02968	1.5
231.06583	4.1
243.02963	8.0
244.03307	0.5
245.08179	3.6
247.06113	10.4
248.06485	0.8
253.01425	1.6
255.02956	0.8
255.06569	0.9
258.01721	3.2
259.02451	6.8
271.02475	38.4
272.02893	3.5
273.04047	6.0
273.07599	2.1
287.02023	1.6
289.07178	4.3
299.01987	19.1
300.02225	1.4
315.05225	0.6
317.02997	50.4
317.06656	100.0
318.03284	5.4
318.06995	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	317.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76166	0.2
57.03435	0.3
59.01376	0.2
65.00331	0.6
69.68877	1.9
72.99304	0.5
75.00882	0.8
83.01405	0.4
96.28988	0.3
98.14299	0.2
98.20711	0.3
107.01402	0.7
109.02958	1.5
125.02472	2.6
133.02980	0.3
137.02480	0.5
143.05064	0.5
145.03046	0.4
146.03856	0.3
149.02440	0.4
151.00407	1.2
151.04050	0.3
159.04582	0.6
161.02481	0.5
163.00417	0.7
165.01949	0.8
171.04550	0.9
173.02440	0.4
174.03227	1.0
175.04022	0.8
177.01932	0.4
179.03621	0.4
185.02446	0.7
187.04031	0.9
189.01865	1.3
189.05623	0.5
190.02751	0.6
190.99850	0.4
199.03992	1.7
199.13441	0.4
200.04388	0.3
201.01949	0.9
201.05615	0.3
203.03535	1.1
215.03543	1.5
217.01387	1.4
217.04984	0.6
218.02200	0.6
227.03534	2.3
228.03937	0.4
229.01469	0.6
230.02203	1.2
231.02946	0.8
243.03000	4.9
243.12439	0.5
244.03210	0.5
245.00981	1.3
245.04532	1.0
246.01677	4.6
247.02328	1.1
255.03038	0.8
259.02399	2.4
260.03116	1.5
271.02518	8.6
272.02939	0.8
273.00452	1.1
273.04077	1.9
274.01202	40.7
275.01523	2.8
277.22760	0.3
287.02017	0.9
288.02786	5.1
289.03519	8.4
290.03824	0.7
299.01987	9.4
300.02359	0.9
317.03052	100.0
317.15771	1.3
318.03394	9.1
318.06207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47870	0.2
59.01323	0.7
63.02377	0.3
65.00298	0.5
69.70246	1.8
71.01356	0.3
83.01366	0.3
84.50781	0.2
95.01360	0.5
96.95998	0.3
107.01353	0.6
108.02152	0.3
108.56148	0.2
109.02958	1.8
115.05507	0.2
121.02983	0.3
123.04491	0.4
125.02410	0.7
128.44225	0.2
128.68294	0.2
131.04999	0.4
133.02904	0.3
137.02480	0.3
150.52037	0.2
151.00386	1.3
152.01138	0.3
155.04984	0.3
157.06564	1.0
158.03615	0.3
159.04451	1.0
161.02370	0.3
163.00319	1.3
163.04044	0.4
165.02000	1.2
170.03723	0.3
171.04520	0.3
172.05243	0.3
173.06120	1.7
174.03239	0.3
175.03984	0.7
177.05545	0.7
178.99777	0.7
183.04469	1.1
185.06055	0.4
186.03191	1.0
187.03947	0.8
189.01987	0.3
189.05553	0.5
190.02658	0.3
190.99832	0.7
199.04012	0.5
200.04877	0.3
201.05595	4.7
202.02786	0.3
202.05772	0.4
203.03551	1.7
204.04001	0.3
205.05116	1.5
206.99329	0.5
208.00119	0.3
211.04034	0.5
213.01851	0.3
214.02762	1.6
215.03293	0.4
217.05037	2.0
225.11287	0.4
227.03502	1.9
228.04109	0.5
229.01479	0.5
229.05040	7.1
229.08501	0.3
230.02235	2.0
230.05397	0.5
231.02946	1.9
243.02963	1.1
244.03847	0.4
245.00526	0.3
245.04605	1.7
246.01634	0.5
255.03014	1.0
258.01694	3.9
259.02261	0.4
271.02521	2.6
272.02866	0.4
273.04031	100.0
274.01193	4.4
274.04385	8.6
275.01620	0.4
287.02029	0.5
288.02679	0.6
289.03568	0.8
299.01968	3.7
317.03070	13.8
317.06482	0.8
317.16034	0.5
317.19531	0.5
318.03555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08021	0.4
57.03427	0.5
58.25888	0.4
59.01379	0.9
69.90893	0.7
69.91309	2.7
72.99303	0.6
73.42406	0.5
75.00867	1.2
77.15044	0.4
79.05520	0.7
80.14752	0.4
83.01392	1.0
89.78143	0.5
95.01397	0.6
98.20626	0.5
107.01404	1.2
109.02968	3.3
121.03033	0.5
123.00849	0.4
125.02452	1.8
133.02983	1.1
135.01004	0.6
137.02422	0.6
149.02437	1.2
151.00395	2.7
152.01077	0.8
153.01956	1.5
155.05058	0.8
159.04457	0.7
161.02527	0.5
163.00400	2.1
165.01924	1.0
169.01520	0.6
169.02893	0.6
171.04539	1.1
175.04021	1.8
175.06107	0.7
178.99826	1.3
183.04535	0.5
185.02431	0.8
187.04042	1.6
190.99916	1.6
191.03497	0.7
197.11855	0.9
199.03995	3.5
199.13399	1.2
201.01964	1.0
203.03534	1.2
205.04965	0.6
206.99336	1.0
211.04062	1.1
215.03510	3.1
227.03511	4.3
227.12927	2.5
229.01462	0.9
229.04968	1.3
230.02188	7.7
231.02838	1.9
242.02280	0.6
243.02979	21.7
244.03392	1.8
245.04503	0.6
247.06194	0.6
255.02855	2.8
258.01682	10.1
259.02444	15.1
260.02890	1.1
271.02460	57.4
272.02798	5.4
273.04010	3.6
287.01904	4.1
288.02679	1.3
289.03595	0.7
298.96982	0.6
299.01984	31.9
300.02365	2.5
317.03049	100.0
317.06354	4.7
318.03339	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	317.0304
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
51.73075	0.9
54.99078	0.9
57.03441	4.1
63.02398	5.8
65.00330	8.6
68.99813	1.1
69.61813	7.4
75.77827	0.9
76.52521	1.0
81.03462	1.2
83.01398	11.0
93.03490	1.0
95.01401	8.4
98.71057	1.1
107.01407	19.8
108.02220	2.3
109.02970	100.0
110.03313	3.6
111.00932	1.5
123.00890	2.8
124.01689	6.5
125.02475	15.1
133.02989	3.4
135.00897	9.2
137.02467	1.9
145.02979	1.4
147.00977	1.0
151.00392	52.9
152.01186	19.2
153.01959	32.9
159.04512	2.6
161.02432	3.6
163.00397	72.8
163.04068	1.8
164.01073	3.1
169.01437	4.2
174.03273	1.7
175.04045	4.3
178.99881	33.6
180.00198	2.8
181.01445	3.1
183.04556	2.1
187.03996	4.5
189.01967	1.9
190.99876	51.6
192.00188	1.9
199.04041	3.2
201.01970	1.2
201.05544	1.8
202.02736	1.1
203.03458	4.4
206.99353	36.1
207.02829	1.8
208.00119	21.2
209.00653	2.4
211.04066	5.8
212.04390	1.1
213.01888	2.2
217.05043	4.2
227.03471	16.9
228.03918	1.4
229.01501	1.9
229.05106	2.1
230.02153	1.4
231.02953	6.5
243.02951	2.3
245.04501	6.7
255.03003	22.6
255.05661	1.2
256.03394	3.0
258.01688	3.0
271.02454	11.3
272.02908	1.1
273.04065	7.8
281.00696	1.0
289.03665	1.1
299.02002	23.7
300.02087	1.7
317.03076	15.0
317.06616	1.7
318.03314	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	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17298	0.8
57.03449	4.6
58.37176	0.8
59.01381	1.6
63.02402	6.3
65.00321	10.0
68.99821	0.9
70.00539	0.7
71.01382	0.8
71.70577	1.7
72.99316	7.8
73.90593	0.8
75.00877	11.5
81.03469	1.1
83.01398	10.7
83.05034	4.5
85.02950	1.8
87.04534	0.8
95.01405	8.0
97.06593	0.9
107.01398	17.6
108.02183	2.7
109.02966	100.0
109.06628	2.7
110.03280	3.8
111.00882	1.0
119.01445	2.1
120.99687	1.0
123.00911	2.6
124.01685	7.3
125.02461	16.2
133.02975	3.3
135.00896	9.5
137.02464	3.6
139.00441	1.0
151.00388	49.0
152.01176	22.0
153.01955	33.7
154.02295	1.3
159.04547	2.1
161.02446	2.7
162.05588	5.0
163.00388	69.5
163.04036	1.6
164.01033	5.1
169.01393	4.4
171.04405	1.4
175.04066	4.5
178.99875	36.9
180.00226	2.0
181.01436	2.4
183.04576	4.2
185.02391	1.7
187.04033	2.6
189.01953	2.5
190.99879	51.1
191.05574	1.6
192.00238	2.6
193.13232	0.8
199.04057	2.1
201.05582	1.4
203.03461	3.2
206.99352	36.6
207.02649	1.5
208.00117	20.5
211.03999	6.4
213.01871	1.9
213.11256	1.6
217.05026	5.8
226.02682	1.1
227.03499	17.3
228.03745	1.1
229.01430	0.9
229.04909	2.1
230.02211	0.8
231.02957	6.4
241.10820	22.3
242.11121	1.4
243.02940	1.2
245.04547	5.1
255.02989	25.5
255.12260	1.2
256.03296	2.5
258.01743	1.2
271.02512	6.8
273.04184	7.7
273.06891	1.5
273.13379	4.9
281.00980	1.1
299.01993	16.3
300.02173	2.2
317.02994	13.8
317.06567	1.4
317.12424	36.4
318.03375	1.2
318.12769	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64881	0.2
53.73735	0.2
65.02335	0.2
65.23203	0.2
65.99862	0.4
69.69258	0.4
69.69667	1.1
95.01389	0.2
98.19865	0.3
109.01771	0.2
109.02956	0.3
120.08981	0.2
123.00896	2.6
124.01687	5.9
125.02027	0.2
132.02586	0.2
150.01138	0.2
153.00732	2.7
153.01901	0.3
154.01492	100.0
155.01855	3.7
174.78183	0.2
198.04880	0.2
222.85713	0.2
292.12750	0.2
316.06750	17.7
317.03458	0.4
317.07050	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	317.0304
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03442	3.9
58.97765	0.7
63.02404	5.5
65.00327	9.8
67.01891	1.1
68.99832	1.1
70.14808	3.7
71.01370	2.3
73.02943	0.9
81.03469	1.3
83.01394	10.3
85.02964	1.3
91.01911	1.9
93.03448	1.0
95.01398	8.3
96.10800	0.8
96.99290	0.9
100.74866	0.7
105.03470	0.7
107.00703	1.2
107.01414	19.7
108.02186	1.8
109.02969	100.0
110.03300	3.5
111.00898	2.0
113.02464	1.4
119.01408	1.0
123.00880	2.1
124.01689	7.3
125.02473	18.4
133.02943	4.3
135.00890	8.9
137.02472	1.7
139.00414	1.1
147.00830	1.3
147.04544	1.3
151.00392	53.8
152.01193	17.2
153.01958	33.4
154.02313	1.0
159.04559	1.4
161.02466	3.3
161.04559	1.6
163.00392	73.2
164.00983	4.0
169.01425	3.5
171.04517	1.4
174.03340	0.9
175.04012	3.5
178.99878	35.4
180.00198	1.4
181.01414	3.5
181.23453	0.8
183.04535	3.2
187.04086	3.6
188.60831	0.8
189.01950	1.3
190.99876	51.6
192.00200	2.9
199.03993	2.6
201.05562	1.1
202.02811	1.1
203.03534	4.3
205.05122	1.0
206.99355	33.9
207.02861	2.2
208.00140	17.4
209.00539	1.2
211.03995	6.8
212.04526	1.1
213.01881	1.3
217.04984	3.5
227.01251	1.3
227.03503	21.0
228.03735	1.7
229.05023	2.4
230.02106	2.3
231.02960	7.1
243.03047	1.7
245.04565	5.9
255.02975	22.9
256.03314	3.1
258.01703	2.4
271.02524	7.8
273.04062	7.9
281.00906	1.3
299.02011	18.0
300.02170	1.7
317.03040	17.1
317.12595	2.0
318.03348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
60.91260	0.2
65.19255	0.2
69.89047	0.9
69.89478	0.8
71.01388	0.4
73.02943	0.4
86.27496	0.2
87.00909	0.3
91.01907	1.7
92.51635	0.2
95.05048	0.6
98.20601	0.5
100.30572	0.3
103.12543	0.2
108.02193	1.5
109.02968	0.6
111.00976	0.3
120.43732	0.3
122.03736	0.4
123.04540	77.4
124.04866	3.3
152.01178	2.0
153.05594	100.0
154.05934	5.6
167.03514	22.0
168.03874	1.6
193.47890	0.3
223.38487	0.3
223.86679	0.2
315.07242	0.8
315.10855	3.1
316.11124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Cornoside
Peak:m/z	Relative Intensity
57.03455	0.6
59.01379	100.0
60.01709	1.2
66.98986	0.6
69.16321	0.5
70.73373	1.9
71.01387	11.2
73.02951	2.6
74.99113	1.6
78.24891	0.6
78.48356	0.5
82.03010	0.5
83.01410	2.5
84.00920	0.6
85.02946	5.1
89.02478	0.9
93.03468	14.6
94.03834	0.9
95.01392	1.0
96.04580	0.7
97.02977	0.6
98.02518	0.6
99.00895	1.1
99.21352	0.5
101.02444	5.4
108.02205	1.0
109.02978	1.8
110.03303	0.6
112.04085	0.6
113.02460	4.8
118.98077	3.1
120.99707	1.4
123.04583	1.9
125.02474	1.3
130.08745	3.4
136.99176	0.9
137.02611	0.6
139.04027	0.7
139.07669	0.6
143.11946	3.3
151.00397	3.4
152.01120	1.3
153.00700	1.3
153.01956	23.1
153.05579	0.9
154.02348	1.3
159.03065	1.7
161.04578	15.6
162.04807	0.8
166.01425	0.6
167.03532	5.7
174.26842	0.6
177.01855	3.2
181.05171	0.7
184.02550	0.7
184.06367	0.8
187.11020	0.7
195.03008	1.6
197.04636	0.9
207.03156	0.5
209.12987	0.8
228.05327	0.5
253.12010	1.8
255.08826	1.6
269.11490	1.8
297.10892	1.1
307.08676	0.5
315.07272	2.8
315.11801	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.65813	0.4
57.04319	0.4
58.04327	0.4
71.01392	2.1
71.48166	0.8
81.03499	0.9
85.02969	2.1
93.03481	0.7
95.01413	0.7
99.00860	0.4
101.02464	0.8
108.02190	89.0
109.02987	41.5
109.03757	0.7
110.03334	1.2
113.02493	0.8
121.02985	1.0
123.00919	0.9
123.04556	1.2
133.02965	0.6
135.00897	0.8
151.04066	1.9
152.01175	63.4
153.01967	38.8
153.03255	0.9
154.02298	0.8
163.04024	1.0
165.01952	2.1
167.45642	0.5
315.07220	100.0
316.07532	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
70.21843	2.5
71.01400	1.7
81.03461	0.9
85.02959	2.6
95.01404	1.2
99.00938	0.7
108.02191	100.0
109.02995	31.3
110.03280	1.3
113.02490	1.2
114.42377	0.5
121.02957	1.5
123.04544	1.3
133.03021	0.6
134.18562	0.5
151.04015	1.7
152.01180	65.1
153.01968	33.1
154.02295	1.2
159.15672	0.6
163.04051	0.7
165.01947	2.2
167.03584	0.8
226.95313	0.6
315.07217	83.3
316.07547	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	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14841	0.4
55.01880	5.2
59.01375	0.9
65.00330	1.0
66.82964	0.4
70.45737	1.0
70.46130	1.0
71.01383	1.9
75.00874	1.8
83.01406	1.0
85.02954	0.7
89.02450	1.1
91.01900	9.4
101.02456	1.5
108.02187	5.8
109.02995	2.3
111.00906	1.2
123.00928	0.5
123.04541	32.6
124.01661	1.2
124.04905	1.0
125.02442	0.5
129.01950	4.7
147.03014	5.4
151.00436	0.8
151.52953	0.5
152.01187	7.8
153.01952	8.0
154.02161	0.5
157.31517	0.4
160.39201	0.4
165.04079	4.3
167.03513	100.0
168.03874	4.2
173.62128	0.4
186.31273	0.5
233.33022	0.5
233.46716	0.5
259.21158	0.5
315.07230	10.8
315.10904	0.7
316.07608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75164	0.8
57.07629	0.8
59.01380	100.0
60.01716	0.9
64.34083	0.7
71.72333	1.2
95.05056	1.4
103.33442	0.7
111.04533	1.6
120.46514	0.7
121.02972	1.8
121.28680	0.8
136.92596	0.8
211.17061	2.0
235.17056	5.9
253.09381	2.0
253.18073	13.6
254.18599	1.0
260.61389	0.9
290.03442	1.1
313.06900	1.4
313.10034	3.8
313.17804	0.8
313.23926	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
56.01767	0.5
57.03425	0.6
58.61347	0.5
59.01375	1.5
65.13516	0.5
69.89036	3.7
83.05103	0.5
128.47012	0.5
135.04535	0.8
185.00711	3.3
212.73451	0.6
223.82527	0.5
249.22208	0.8
251.23788	65.4
252.24164	5.5
253.09094	0.6
269.24796	1.7
295.22778	22.5
296.23111	2.3
313.17395	4.5
313.23843	100.0
314.24200	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	313.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
78.95509	0.4
101.03960	3.4
105.03433	0.5
109.02968	0.8
121.02965	1.2
122.03754	0.3
123.00925	1.0
145.02974	71.3
146.03302	4.3
149.02435	1.2
151.00322	0.4
157.06567	0.5
172.14810	0.4
183.08066	0.5
199.04013	6.0
199.07585	0.4
200.04747	1.3
205.10222	0.5
208.11209	0.4
213.05585	8.8
214.05978	0.4
223.11366	0.7
227.03539	1.8
227.07130	2.3
228.04214	0.8
228.07327	0.4
229.05067	0.8
232.03764	1.4
233.09645	0.5
241.05003	0.4
242.05894	3.4
243.06444	1.0
246.05313	2.5
253.08977	0.5
255.06630	9.1
256.07053	0.7
281.08395	0.5
283.06104	1.0
295.09549	0.4
313.10815	100.0
314.11169	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	313.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33035	0.3
57.03457	0.6
57.83451	0.3
58.20554	0.3
59.01380	0.9
69.94413	1.1
69.94845	1.1
71.01385	5.0
73.02943	1.9
75.00881	0.8
79.01922	0.4
81.03454	0.4
83.01428	0.4
83.77493	0.3
85.02953	2.0
89.02507	0.4
91.05535	0.6
97.02958	0.6
98.19957	0.5
99.00867	0.7
101.02458	2.5
101.03964	2.3
105.03450	0.5
107.05047	0.4
107.08678	3.2
109.02969	0.8
109.06603	3.9
113.02474	2.4
116.92896	0.3
121.02983	1.4
123.00879	0.7
125.02455	0.6
145.02969	69.3
146.03316	3.6
149.02466	0.9
151.07663	76.1
152.07994	3.9
159.02992	0.9
161.04590	3.3
183.08171	0.8
199.04005	4.8
200.04713	1.9
205.10138	0.4
212.04837	0.6
213.05588	9.1
214.05956	0.8
227.03593	1.8
227.07126	2.7
228.04298	1.0
229.04996	0.6
232.03709	1.0
233.09843	0.6
242.05836	3.5
243.06462	1.4
246.05310	2.8
251.10631	0.5
253.08810	0.4
255.06602	11.0
255.09222	0.7
256.06998	1.1
281.08292	0.4
283.06052	1.2
285.11276	0.5
285.68930	0.4
295.09613	0.8
307.62363	0.4
313.10800	100.0
314.11127	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	313.108
Annotation	Stemofuran Q
Peak:m/z	Relative Intensity
52.61186	0.2
54.50761	0.3
59.01382	1.9
61.98846	0.4
71.72283	0.3
80.02681	1.4
85.02972	0.3
91.87603	0.2
102.75710	0.2
107.39528	0.2
108.02193	3.4
112.98824	0.3
121.02975	0.5
132.02196	1.0
136.01688	0.4
144.05925	0.2
148.01712	0.6
151.07596	0.3
160.01678	2.4
164.20383	0.3
172.05319	0.4
174.03296	0.5
176.01173	0.5
187.04022	3.6
188.01155	3.6
188.04774	5.5
189.01939	2.8
189.05116	0.3
190.99852	2.0
199.03966	0.4
200.04858	0.4
215.01343	0.3
215.01945	0.2
215.03517	9.3
216.00673	1.7
216.04262	17.7
217.04646	1.0
220.03806	1.4
243.02983	10.1
244.03757	100.0
245.04092	7.4
253.09366	0.6
313.10797	45.0
313.23767	1.0
314.07590	0.4
314.11154	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	313.108
Annotation	8-Hydroxy-2,3,4,7-tetramethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01878	0.4
57.81096	0.4
59.01373	1.2
61.98825	0.3
65.76485	0.3
69.61604	1.5
69.62038	1.4
78.83031	0.3
79.01883	0.6
93.03458	2.9
101.02449	0.5
108.02174	0.5
109.03002	0.5
110.00114	0.5
117.03479	2.5
121.03001	0.5
123.00845	0.5
124.01668	1.3
133.02966	2.8
137.02475	0.5
137.99533	0.5
143.05055	0.4
144.05835	5.1
145.02989	2.2
151.07652	0.6
159.04503	0.9
160.01704	0.6
160.05327	1.9
161.02457	12.3
161.05905	0.3
162.02820	0.6
171.04514	2.3
172.05315	1.6
187.04045	2.4
188.04779	3.2
193.08714	2.2
199.03978	2.5
200.04745	1.7
215.03516	7.3
216.04268	30.7
217.04633	1.6
220.03734	1.2
225.10165	0.4
243.02913	2.3
244.03761	26.2
245.04042	2.0
248.03253	35.2
249.03600	2.6
253.09251	0.5
255.06859	0.4
313.10800	100.0
314.11139	10.2
326.80426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1081
Annotation	Agrimonolide
Peak:m/z	Relative Intensity
59.01374	2.0
61.98827	0.2
71.72227	0.2
78.95924	0.2
83.28103	0.2
85.01466	0.2
89.02467	0.2
93.32568	0.2
101.03985	4.7
112.98855	0.3
119.02733	0.2
121.02965	2.2
122.03289	0.3
129.07108	0.2
135.59126	0.2
145.02977	100.0
146.03311	5.7
151.07608	0.4
157.06619	4.9
158.06796	0.2
225.12859	5.0
226.13197	0.3
243.03053	0.2
253.09209	0.9
255.02922	1.1
269.11819	28.7
270.12198	2.9
288.02902	0.3
298.08292	0.2
313.07141	1.9
313.10818	4.8
314.01224	0.3
314.07510	0.3
314.11111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.1
56.36690	1.0
57.03450	2.7
58.00593	3.9
59.01381	100.0
60.01718	1.2
68.19450	1.2
69.62575	2.3
69.62985	9.5
69.70080	1.1
71.01387	91.7
72.99305	6.3
73.02969	5.0
74.32776	1.0
83.01397	4.1
85.02960	14.1
87.00889	3.7
89.00372	2.0
89.02455	68.6
90.02794	1.8
91.01923	1.3
95.01401	4.9
96.95983	1.2
99.00848	1.6
101.02457	38.7
102.02833	1.5
106.00630	3.3
107.05043	47.6
111.00872	1.5
113.02459	27.1
115.00381	10.4
119.03515	33.2
119.04991	1.4
121.02976	43.7
131.03546	2.5
138.03287	2.9
139.00374	2.0
143.03487	2.8
149.04512	1.5
151.04053	7.5
153.05594	32.0
154.06042	1.2
161.04611	7.1
161.05759	1.2
167.03540	1.6
179.05618	3.3
182.02222	4.5
191.05580	1.5
197.04564	97.9
198.04842	7.0
217.55609	1.2
313.09311	14.3
313.12640	2.2
314.09491	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.40900	1.6
52.74462	1.6
55.01865	8.1
57.03447	4.7
58.00584	2.0
59.01375	40.4
69.07188	1.7
71.01389	100.0
71.12682	3.7
71.13039	2.1
72.99321	4.1
73.02953	36.2
75.00871	4.4
83.01390	15.2
84.23858	1.6
85.02959	41.9
87.00896	4.1
89.02460	5.8
90.63932	1.6
93.03475	19.7
95.01397	7.5
97.02934	5.5
99.00898	10.1
101.02459	68.3
102.02763	2.3
106.04247	4.9
107.05045	46.3
108.02197	3.0
111.04578	1.8
113.02458	33.6
115.00353	3.0
121.02965	18.4
123.00901	2.3
123.04486	5.0
125.02481	2.4
129.01955	3.5
131.63992	1.7
135.04515	2.6
143.03456	2.8
149.02484	7.2
151.02852	3.5
151.04031	57.1
152.04416	3.0
153.05562	10.7
156.67075	1.8
159.02994	9.5
161.04584	41.3
162.04774	1.8
182.02168	2.5
195.06645	12.4
197.04561	42.0
198.04877	3.4
205.03560	2.2
207.06668	3.5
235.57957	1.7
269.10324	12.4
283.11835	8.6
299.89853	1.7
309.15881	1.9
313.09271	72.5
313.12939	22.8
314.09647	9.3
314.12885	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	313.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.6
71.01391	20.9
78.01136	0.5
83.01395	0.8
89.00349	2.3
91.01905	1.4
95.01431	0.5
106.00628	3.6
111.00922	1.0
115.00386	10.0
121.02978	45.8
122.03307	1.3
123.00909	2.8
127.00352	0.7
136.98793	0.6
138.03249	3.3
139.00420	0.9
151.04033	0.9
153.05606	31.8
154.05927	1.4
166.99866	1.9
182.02246	4.6
197.04578	100.0
198.04921	5.3
229.49312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.66158	0.5
57.03439	1.6
57.46211	0.5
59.01377	6.1
71.01367	0.6
72.01697	0.6
82.83842	0.6
87.04610	0.5
99.08176	2.6
105.65443	0.7
111.52402	0.6
113.09716	3.3
125.09749	1.0
127.11303	0.9
129.09250	6.9
139.11296	2.9
140.21906	0.5
151.11330	1.2
151.99886	0.6
155.10820	0.9
167.10913	0.6
169.12378	2.3
171.10294	14.8
180.25600	0.7
181.12328	4.5
183.01234	0.8
183.10280	1.4
183.13879	2.6
185.11861	2.3
193.12407	1.5
197.11838	7.3
198.12172	0.6
199.13332	3.6
201.11328	2.9
211.13408	15.8
212.13762	1.0
223.09700	0.8
242.02052	2.8
243.02565	0.9
249.22209	0.9
251.11343	0.9
253.10005	0.7
255.02946	1.0
267.03036	0.7
275.20120	1.8
293.21234	15.1
294.21460	1.1
311.09247	8.6
311.22278	100.0
312.09573	1.2
312.22629	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.28803	0.7
57.03441	1.9
59.01382	4.6
67.54388	0.7
69.03439	0.7
69.58632	1.7
69.59036	4.2
69.86849	0.6
83.05026	0.7
85.06635	0.7
99.08198	3.5
111.08237	0.8
113.09750	3.6
127.07707	1.6
129.09239	6.8
151.11313	1.3
153.09294	1.0
153.12939	1.1
154.04219	0.6
155.25784	0.7
169.12376	3.2
171.10329	1.6
181.12384	6.8
183.13918	2.1
193.12355	1.1
197.11867	14.5
197.13525	1.4
199.13425	6.3
211.13409	21.5
212.13814	1.6
242.02173	5.5
255.03111	0.8
256.03635	1.5
265.21506	0.9
267.02994	3.0
275.20151	1.6
288.02762	1.1
293.21228	16.5
294.21442	1.7
311.09283	19.0
311.22290	100.0
312.09637	1.9
312.22662	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.34229	0.3
57.03426	0.6
59.01383	4.7
71.73218	0.7
83.05022	0.5
86.05059	0.4
97.06557	0.4
153.12895	0.3
183.01239	1.4
214.02667	0.4
223.09712	0.6
242.02205	1.0
247.20718	0.6
249.22234	48.2
250.22594	4.4
251.11372	0.4
263.76169	0.4
267.23242	1.7
274.37451	0.5
293.21237	20.3
294.21576	2.1
295.60986	0.4
311.09412	2.7
311.22281	100.0
312.17215	0.5
312.22641	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	5.8
59.01383	21.5
59.93890	1.0
67.93307	1.0
71.01382	1.1
71.72372	1.2
71.72790	1.4
79.95763	1.7
97.06644	1.0
113.02538	1.3
113.09749	19.1
119.05060	1.9
124.03197	0.9
139.11317	2.1
161.04625	1.3
167.10799	2.2
170.00502	1.5
179.10811	3.0
183.01233	59.9
184.01752	3.5
195.13805	2.6
197.02864	7.5
223.09866	2.0
223.13466	3.0
230.02663	1.2
242.02301	4.3
249.22313	3.0
251.11406	2.9
255.03018	2.4
256.03830	1.1
293.21237	27.1
293.24298	2.0
294.21698	3.2
295.08871	2.5
311.09387	14.1
311.16953	100.0
311.22089	5.3
311.29709	3.9
312.09760	2.1
312.17279	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	311.1501
Annotation	Pestalotheol A
Peak:m/z	Relative Intensity
52.19176	0.7
57.03448	7.0
59.01371	2.6
70.27718	1.5
70.28141	2.3
70.87883	0.7
71.04674	1.2
71.05030	13.9
83.05036	1.6
85.02966	4.6
87.04510	3.1
95.05058	4.7
97.06597	7.9
99.08174	72.0
100.08524	2.1
101.06097	27.0
104.28851	0.7
109.06626	0.8
111.04541	1.0
111.08203	0.7
113.09712	2.4
124.05302	2.7
125.06116	9.5
125.09798	1.0
137.09744	5.5
139.07640	3.3
139.11348	4.9
140.08315	0.9
145.23872	0.6
151.11288	2.2
153.09233	0.6
153.12895	5.6
155.10806	10.2
181.12375	16.7
182.12640	0.8
190.83359	0.6
195.17564	8.2
221.15471	9.9
223.09749	6.6
239.16530	95.9
240.16876	7.8
279.12375	2.8
293.14005	0.9
311.15012	100.0
312.15289	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	311.15
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71038	0.3
66.90743	0.3
68.99817	0.4
76.37680	0.4
79.01871	0.4
88.99822	0.3
97.03021	0.4
98.20718	0.7
99.04516	0.4
101.06076	0.4
109.02938	0.7
111.00908	0.9
111.04520	0.6
123.04561	0.9
125.06100	25.2
126.06497	0.6
131.00426	0.4
131.87924	0.3
139.00398	0.9
139.04048	3.3
140.40059	0.3
151.00381	1.2
151.03984	0.4
151.11331	1.5
153.05573	2.6
157.08678	2.6
165.05481	0.3
168.09299	0.4
170.20282	0.4
179.03511	1.5
179.07159	0.9
180.07866	0.6
193.08702	1.0
194.05710	0.4
207.10251	1.2
208.07417	1.2
209.08231	2.1
212.06892	1.0
222.08897	0.6
223.09760	57.3
224.10097	3.3
226.08389	0.7
235.09720	1.5
237.05746	0.3
247.09676	0.4
274.32910	0.4
293.14001	7.3
294.14420	0.7
311.14999	100.0
312.15381	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	311.1502
Annotation	Pestalotheol A
Peak:m/z	Relative Intensity
57.03443	0.7
57.82839	0.2
59.01385	1.6
60.01699	0.2
60.99297	0.2
71.01388	0.4
71.05018	0.3
71.55352	0.2
71.55685	0.2
73.02941	0.3
79.01915	0.2
81.07103	0.4
85.02949	0.6
95.04974	0.2
96.66619	0.2
96.96024	0.7
99.04510	0.6
99.08163	0.4
101.06100	0.6
107.05084	0.2
109.02948	0.4
111.00880	1.1
111.04539	0.4
121.34691	0.3
122.03770	0.3
123.04538	0.5
124.01660	0.6
125.02455	0.5
125.06099	27.9
126.06461	1.6
127.07621	0.3
139.00398	1.1
139.04028	4.0
139.07701	0.4
149.04604	0.4
149.06137	0.3
151.00366	1.1
151.04070	0.3
151.11328	1.2
153.05582	2.5
155.07120	0.4
157.08708	3.3
158.09042	0.2
165.05597	1.3
179.03534	0.3
179.07158	1.0
179.10803	0.3
180.07872	0.8
193.04984	0.2
193.08676	1.1
203.14493	0.3
207.06570	0.3
207.10341	1.6
208.07376	1.5
209.08112	1.4
212.06943	0.9
222.09015	0.8
223.09764	63.5
224.10103	4.2
226.08447	0.4
235.09746	1.8
252.76044	0.3
275.12775	0.2
293.13959	8.7
294.14288	0.7
311.14996	100.0
312.15323	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	311.0984
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.36311	0.6
55.01872	1.1
57.03444	1.1
58.00595	1.9
59.01379	100.0
59.89720	0.7
60.01720	0.9
69.03496	1.1
70.53095	0.7
71.01387	33.8
71.28276	1.2
71.28657	1.3
72.01749	0.8
72.99323	3.3
73.02956	6.3
74.99106	1.8
75.00877	3.5
79.40365	0.6
83.01405	2.4
85.02959	8.2
87.00895	2.7
87.04533	2.0
89.02457	35.8
90.61568	0.6
95.01396	3.0
99.00900	2.3
99.04506	0.9
101.02457	24.4
105.01948	8.5
105.08398	0.6
112.98861	1.1
113.02471	13.4
114.02808	1.0
117.05609	0.8
117.70629	0.6
118.41904	0.6
119.02699	0.5
119.03526	13.0
119.04323	1.2
120.40804	0.7
122.06145	2.1
130.08769	0.8
131.03522	2.3
131.09100	1.2
136.07777	0.7
136.99191	2.7
143.03577	1.8
149.04622	1.9
149.08214	8.8
150.05666	3.9
161.04591	6.3
179.05602	4.2
191.05743	1.0
202.32637	0.8
221.06833	0.7
251.11432	5.7
311.09912	42.9
311.13574	16.2
311.29471	0.7
312.10605	5.7
312.13788	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	311.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30042	0.3
54.72050	0.3
58.81910	0.3
59.01379	2.9
63.66409	0.2
71.72064	0.4
89.03979	0.4
91.05559	1.3
93.03471	0.5
101.02456	0.3
106.04263	0.7
107.05053	3.0
111.04519	0.5
117.03492	1.2
121.02936	0.4
125.06129	0.5
133.02988	2.7
134.02692	0.5
134.03764	15.8
135.04543	87.8
136.04869	3.1
137.02473	1.9
139.04010	0.6
150.03220	0.3
179.03514	100.0
180.02414	0.4
180.03856	5.3
193.56517	0.3
223.09770	0.8
227.46327	0.3
237.42130	0.3
239.16574	0.3
242.02296	0.4
256.03900	0.4
279.12396	0.8
304.88666	0.3
311.01840	0.3
311.05539	0.8
311.09229	2.4
311.15051	2.7
311.18481	0.6
311.22037	0.4
311.29605	0.6
312.09537	0.4
329.59650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0925
Annotation	Pancixanthone B
Peak:m/z	Relative Intensity
52.37060	0.3
53.35616	0.3
57.03445	0.3
59.01376	5.9
71.01353	0.3
71.05013	0.7
71.32233	0.3
71.72097	0.3
85.95358	0.3
86.66679	0.3
90.18189	0.3
99.08183	4.0
101.06072	1.0
111.04543	0.7
117.05199	0.3
125.02421	0.4
125.06161	1.3
131.05069	0.6
139.04021	0.4
139.11322	0.3
151.00287	0.3
181.12357	0.7
195.17424	0.5
197.06076	0.3
199.03955	0.5
214.02725	0.6
221.08266	0.6
221.15443	0.8
223.09721	1.6
225.05565	0.8
227.03523	3.4
228.04260	5.1
229.04779	0.4
239.16521	5.1
240.16785	0.4
242.02202	0.7
243.02690	0.3
251.11253	0.8
255.02975	5.6
256.03745	10.9
256.06445	0.6
257.04233	0.5
267.00073	0.7
267.02972	13.1
267.06039	0.7
267.10257	0.7
268.03296	1.1
269.04520	3.6
277.04953	0.5
279.06482	0.5
279.12418	2.2
281.04633	1.0
288.02762	13.8
289.03171	1.0
293.04489	0.6
295.06033	2.2
296.06793	2.1
311.05713	8.6
311.09219	100.0
311.15033	4.4
311.29358	0.9
312.05948	0.9
312.09549	10.3
312.15198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93534	0.3
56.35288	0.2
59.01389	2.4
69.19908	0.4
69.67928	1.1
69.68359	1.2
77.54764	0.3
93.03475	1.2
111.04539	1.9
113.09756	0.4
126.36478	0.3
139.11298	1.4
142.43489	0.3
165.05475	0.3
171.10289	2.5
172.53326	0.3
193.08653	0.4
199.04007	0.3
214.02682	0.4
221.08215	0.4
227.03502	3.0
228.04266	3.5
242.02208	0.5
251.11278	0.3
255.02971	4.5
256.03790	8.9
257.04129	0.6
262.44922	0.3
267.02985	13.9
267.10217	0.8
268.03458	1.8
277.04938	0.4
279.06641	0.5
279.12366	4.8
281.04483	0.5
283.09760	0.4
288.02759	10.2
289.03229	0.7
293.21240	3.7
295.06149	2.0
296.06921	2.3
311.09262	100.0
311.22256	2.0
311.64502	0.3
312.09601	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	311.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38428	0.2
59.01382	2.2
69.94140	1.6
93.03472	1.3
111.04559	1.3
113.09745	0.4
133.47986	0.3
135.85300	0.3
139.11275	1.2
171.10275	1.4
172.10645	0.5
179.07269	0.3
181.12349	0.3
211.03908	0.4
214.02701	0.4
217.72206	0.3
221.08096	0.4
227.03535	2.5
228.04276	4.3
239.03754	0.3
242.02126	0.3
243.03104	0.3
255.02974	5.0
256.03760	9.1
257.04120	0.7
267.02979	13.4
267.10327	0.9
268.03510	1.7
269.04382	0.5
277.05106	0.4
279.06595	0.5
279.12393	4.4
281.04572	1.0
288.02756	10.0
289.03061	1.3
293.21191	3.1
295.06140	2.3
296.06894	1.9
305.09082	0.3
311.09256	100.0
311.22110	2.3
312.09592	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66210	0.2
59.01376	2.3
70.59438	0.9
75.36456	0.2
83.75462	0.2
84.31097	0.2
87.78984	0.2
91.64711	0.2
91.74153	0.2
91.76854	0.2
95.71245	0.2
109.67123	0.2
111.90023	0.2
118.79212	0.2
119.05095	0.2
132.08765	0.2
158.03752	0.4
161.09734	0.6
170.03740	0.3
172.01701	0.5
183.01224	9.6
183.02875	0.5
184.01666	0.3
186.03177	1.0
192.74362	0.2
197.02763	0.6
198.03204	0.8
214.02728	4.4
223.09747	0.3
227.03606	1.8
242.02217	41.6
243.02534	3.4
251.11440	0.4
255.02989	6.3
256.03503	0.7
267.02985	14.9
268.03421	2.0
281.04639	0.3
293.21191	0.4
295.06314	0.3
311.09265	100.0
311.16843	19.5
311.29605	0.6
312.09601	9.0
312.17139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85665	0.2
69.66233	1.0
69.66670	0.8
75.22994	0.3
75.99054	0.2
81.95950	0.2
91.75287	0.3
98.19935	0.4
131.61470	0.3
145.03011	0.3
154.04242	0.3
158.03720	1.4
161.02496	0.3
161.09700	0.3
170.03712	0.4
172.01677	1.8
173.02283	0.3
183.04549	0.6
185.02432	0.5
186.03235	2.8
198.03250	0.9
199.03964	0.3
200.01205	0.5
208.97424	0.3
211.03871	0.3
213.01880	0.4
214.02731	10.3
215.03091	0.8
223.04065	0.4
227.03506	2.5
228.04297	1.3
242.02206	67.5
243.02530	5.4
255.02977	10.1
255.05681	0.4
256.03696	5.9
257.04132	0.4
267.02963	17.5
268.03439	2.0
276.60208	0.3
281.04416	0.4
288.02731	3.5
289.03311	0.2
295.06149	0.7
296.06970	0.5
311.09250	100.0
312.09576	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	311.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96297	0.2
52.44495	0.2
54.35299	0.2
55.42223	0.2
59.01376	1.8
64.22572	0.3
64.63967	0.2
67.09805	0.2
67.87257	0.2
69.50213	2.1
98.20640	0.5
112.55283	0.3
121.29046	0.2
132.82216	0.3
134.03673	0.3
145.03012	0.4
158.03754	10.6
159.04070	0.4
161.02454	0.5
173.02475	1.5
184.01686	0.3
185.02440	1.7
186.03241	19.3
187.03572	0.9
189.01955	0.7
190.02692	0.3
197.02512	0.4
198.01508	0.5
198.03236	4.8
213.01999	2.2
214.02728	11.0
215.03065	0.8
241.01341	0.4
242.02213	100.0
243.02541	7.3
255.02995	0.3
267.03049	1.3
293.21133	0.5
311.09305	5.5
311.16953	0.4
311.22318	1.0
312.09689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08041	0.2
53.37204	0.2
59.01386	0.7
59.64564	0.2
59.65216	0.2
95.61044	0.2
98.19827	0.5
99.33849	0.3
107.01391	0.3
116.36251	0.3
159.04591	0.5
160.05350	0.3
175.07689	0.5
227.03616	0.5
228.04254	0.4
229.65303	0.3
240.03473	0.3
255.02988	1.1
256.03763	13.0
257.04074	0.9
288.02753	25.6
289.03101	1.5
295.06027	1.5
296.06879	1.3
309.07684	0.3
311.09253	100.0
312.09595	10.6
312.13336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55166	1.4
53.64471	1.0
55.62241	1.1
57.03435	3.4
58.00573	3.2
59.01101	1.5
59.01376	8.1
65.64589	1.3
69.03451	4.9
69.46320	11.8
71.01360	1.8
71.05048	1.3
81.03419	1.1
83.05035	2.7
87.04514	1.3
93.38692	1.1
95.01405	1.4
95.05019	1.1
96.20744	1.1
97.06606	1.5
98.20557	2.4
99.00882	3.3
101.06081	1.3
107.08696	1.5
108.05820	1.2
111.08154	12.4
113.02453	1.1
119.08687	14.7
121.10275	1.3
123.08122	1.4
125.09747	7.9
127.07677	1.2
127.11315	3.8
135.08200	2.4
137.08725	2.0
137.09734	28.9
139.11357	2.5
141.12845	1.1
151.04079	5.7
151.07674	14.4
151.11296	2.6
152.08452	13.3
153.09204	2.0
155.10764	3.0
162.10548	1.9
163.11229	1.4
165.12773	1.4
167.10764	3.7
169.12355	2.4
171.10284	100.0
172.10629	5.5
181.12421	1.7
183.10287	5.5
183.13828	1.7
184.07472	1.9
185.11839	25.2
186.12201	1.9
190.10008	1.3
195.10303	2.9
197.11839	29.2
198.12209	1.4
199.13362	2.1
201.11330	6.4
208.11032	1.9
209.15456	22.8
211.13373	9.7
213.11365	8.4
214.95139	1.3
229.19583	2.5
237.07693	2.7
237.14990	1.4
247.17148	1.2
247.20518	1.4
252.09947	4.2
263.19995	2.3
265.18103	6.1
273.18579	11.5
274.18930	1.9
277.18372	1.4
291.12595	2.4
291.16589	1.9
291.19650	49.6
291.22968	2.4
292.20142	5.3
309.07599	2.7
309.13528	2.6
309.17032	41.5
309.20685	62.2
310.17401	5.9
310.21036	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.73465	0.6
55.14460	0.6
57.03443	1.4
59.01386	7.3
61.98823	1.0
67.01896	1.1
70.92171	1.7
71.01395	0.9
78.94728	0.6
83.05019	1.1
87.04507	0.8
91.96774	0.6
93.03459	0.9
93.07099	0.9
94.41638	0.6
95.05042	1.5
96.96042	2.8
97.06612	1.4
99.08208	0.7
111.04533	2.4
111.08185	1.9
113.41796	0.7
121.10267	8.5
123.08187	1.0
125.06112	0.6
125.09743	6.8
133.02917	0.7
137.09737	4.8
148.75394	0.6
151.11388	0.7
161.04694	0.7
167.14432	1.5
171.10313	7.7
172.10635	0.9
177.09280	0.8
185.11867	9.9
195.13933	1.0
197.11859	3.7
209.11880	1.0
211.13412	54.1
212.13829	4.2
221.15569	0.6
223.13370	0.8
225.14995	0.7
247.20599	1.3
251.16515	1.1
273.18594	1.4
277.10696	1.7
279.03040	2.6
291.06638	2.1
291.19656	100.0
292.19958	10.5
293.04520	1.4
294.05356	0.9
309.04214	0.8
309.07724	13.3
309.13565	2.9
309.17188	1.4
309.20602	8.5
310.08087	2.5
310.21082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.5
58.00600	1.2
59.01389	2.2
69.03476	1.2
69.48119	0.6
69.59384	2.3
69.59805	2.9
71.01388	0.7
73.02975	1.0
83.04492	0.6
83.05019	1.2
87.04556	0.8
97.06618	0.8
109.06639	1.4
111.08173	28.2
112.08525	1.2
127.07664	1.8
151.04030	0.7
151.07718	1.6
151.11330	1.9
152.08427	1.3
153.09215	0.8
153.12891	2.1
167.10878	1.4
169.12369	7.6
171.10304	1.5
179.10838	0.9
181.12344	2.5
183.13925	1.6
189.56319	0.7
193.12335	1.2
197.11841	100.0
198.12132	5.2
199.13341	4.5
209.15495	2.1
211.13409	11.3
212.13882	1.0
227.12904	3.0
230.60143	0.7
234.68095	0.7
252.10062	0.7
263.20120	6.7
264.20422	0.7
265.18106	3.3
273.18674	1.9
291.19644	20.2
292.19937	1.9
309.17126	5.1
309.20660	43.4
310.20993	4.8
326.58868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72631	0.6
57.03458	1.1
58.00605	0.8
59.01399	2.6
68.31867	0.6
69.03478	1.7
70.01216	3.4
71.01437	0.5
71.54047	0.5
73.02974	1.0
83.05067	1.3
87.04514	1.4
93.07139	0.7
96.96034	0.7
99.00877	1.2
99.04552	0.6
109.06593	1.1
111.04554	0.9
111.08171	31.8
112.08545	1.2
127.07675	2.4
151.04045	1.2
151.07687	2.1
152.08488	2.0
153.12872	1.6
163.04062	1.1
169.12366	7.4
170.92609	0.6
171.10323	0.9
179.07150	0.9
179.10817	0.8
181.12363	1.7
183.13968	0.8
193.12257	0.8
195.13962	0.8
197.11844	100.0
198.12198	6.1
199.13358	4.1
206.76375	0.6
208.10939	0.6
209.15440	5.7
211.13431	9.3
221.08212	3.4
221.11858	0.6
221.15263	0.7
222.08470	0.7
223.16980	1.7
227.12883	4.0
233.15463	1.5
247.16888	0.6
247.20638	1.3
251.16415	2.8
263.20114	5.6
265.18076	4.9
273.18509	1.8
291.12473	0.6
291.19641	21.2
292.20023	2.1
309.07770	0.7
309.13303	2.2
309.17108	6.1
309.20657	41.7
310.17657	1.1
310.21005	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98759	0.7
57.03455	2.4
58.00599	1.8
59.01382	8.2
69.03482	2.5
71.01379	1.0
71.05043	0.8
71.54841	0.6
73.02971	1.4
83.05045	2.1
85.06634	2.0
87.04533	1.2
93.03480	0.9
97.06613	1.0
97.80264	0.7
99.08166	1.1
109.06639	1.4
111.04546	1.4
111.08177	31.5
112.08514	1.1
118.85179	0.8
125.09749	0.8
127.07631	3.4
129.94075	0.7
137.09758	2.3
151.04062	1.7
151.07677	2.6
152.08377	1.6
153.09207	0.8
153.12903	2.7
163.11345	0.9
167.10747	1.2
169.12347	6.2
171.10277	3.0
179.10837	2.0
181.12372	3.9
181.36984	0.7
182.12650	0.7
183.13927	2.1
193.12352	1.4
195.13857	3.5
197.11845	100.0
198.12177	7.2
199.13370	3.6
209.15536	3.9
211.13420	16.7
221.15591	1.6
227.12935	3.6
233.15295	0.8
247.20584	1.5
251.16541	2.4
263.20148	6.3
264.20462	0.8
265.18124	3.2
273.15247	0.6
273.18503	2.8
291.12408	1.2
291.19650	26.6
292.20053	3.1
309.04141	0.9
309.07565	3.0
309.17206	6.2
309.20691	76.8
310.17682	0.9
310.21048	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03455	3.1
59.01362	2.0
67.63138	0.3
69.42358	0.3
69.74680	2.1
69.75114	0.7
70.35901	0.4
71.01358	0.4
71.05022	0.6
80.02665	0.5
83.05038	0.8
84.30618	0.3
95.05023	0.5
97.06611	1.4
99.08149	0.6
106.04244	0.9
125.09710	0.5
135.08141	0.4
138.34834	0.3
139.11292	1.1
153.12881	0.6
177.16489	1.3
181.12425	0.5
193.15977	0.7
209.15324	0.4
219.17381	0.6
245.19101	0.6
247.20660	25.5
248.20984	2.5
250.93500	0.4
263.20090	0.4
265.21649	1.9
273.18585	8.4
274.18900	0.6
291.19650	25.9
292.19937	2.9
309.20706	100.0
310.21075	9.8
320.05051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97921	0.4
56.53865	0.4
59.01381	100.0
60.01724	1.6
69.84956	2.5
71.01391	1.2
72.99315	0.5
73.02971	0.8
85.02960	0.7
98.19961	0.6
101.02483	1.6
113.02485	0.8
129.38184	0.4
132.26103	0.4
164.37140	0.4
177.05632	0.5
195.92505	0.5
196.07019	0.5
248.82346	0.5
249.13438	6.4
309.13458	0.9
332.27969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
59.01381	5.1
61.45924	0.9
62.62171	0.8
65.00341	0.9
67.01888	0.9
70.73603	2.8
79.05551	3.1
81.03453	1.7
83.05017	1.0
85.02967	33.1
85.06600	13.4
86.06932	0.9
87.00893	1.4
87.04512	2.2
88.45396	0.9
91.01910	1.9
93.78503	0.8
95.05022	2.4
96.09376	0.9
98.03761	1.2
107.05059	1.3
107.10127	0.8
108.02244	1.0
109.03001	5.3
109.06605	26.1
111.00876	1.6
111.04536	18.2
111.08177	2.8
113.06110	9.4
122.03770	1.7
123.00882	0.8
123.08170	2.2
125.02468	1.1
127.07661	1.4
133.06572	4.5
135.04558	1.1
135.08247	1.6
136.05363	1.6
137.06096	2.9
139.03999	2.9
139.07614	1.2
150.06851	1.1
151.04094	1.7
151.07671	16.4
152.08372	2.4
153.09203	2.2
155.05908	1.2
155.07170	23.2
159.11960	0.8
161.06111	3.5
163.00446	6.3
163.04016	1.7
164.04828	1.2
165.05554	1.5
167.31627	0.8
177.05527	1.5
177.09242	6.3
177.12839	6.6
178.06360	9.3
179.07170	8.8
179.10686	0.9
181.05141	5.5
181.12436	1.1
188.94604	0.8
191.03508	1.1
191.07126	1.6
193.12354	0.8
194.05843	1.9
195.13904	7.5
197.04738	1.1
197.11794	2.0
203.07057	0.9
204.07826	0.9
205.05078	3.7
205.08598	1.1
205.12376	3.1
206.05849	6.0
206.09309	1.0
207.06566	2.9
208.10939	0.8
209.11929	1.0
209.15520	4.7
211.13326	1.0
219.13933	2.4
221.08246	1.9
221.11812	2.0
223.06105	1.9
229.12328	3.5
231.10258	2.3
232.11057	1.1
234.08856	2.0
247.13400	40.3
248.10634	2.0
248.13704	3.1
249.11317	100.0
250.11661	11.5
273.18524	1.0
291.12433	4.8
291.19656	9.7
292.13245	5.4
292.19830	1.2
293.13660	1.2
309.07785	4.3
309.13434	6.3
309.17105	8.2
309.20694	24.0
310.20975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1192
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.33708	0.5
53.03927	0.4
57.03451	1.0
58.00581	1.1
59.01381	47.4
60.01708	0.8
60.22338	0.4
71.01388	20.7
71.05045	0.5
71.19340	1.2
72.01704	0.6
72.99314	3.0
73.02962	3.9
83.01403	2.0
83.05025	1.9
85.02968	6.1
87.00878	1.3
89.02459	21.0
95.01401	1.6
96.21906	0.5
98.00721	0.5
99.00884	1.2
99.04507	0.7
101.02461	14.8
101.06095	2.5
109.30962	0.5
111.04521	2.4
113.02470	8.0
117.01962	5.4
118.02289	0.6
119.03509	7.9
129.05602	15.6
130.05936	0.8
131.03474	0.7
135.04509	1.7
136.04846	1.4
143.03510	0.7
147.06665	7.8
161.04591	1.4
179.05605	1.0
309.11923	100.0
310.12253	7.8
332.87259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53173	0.3
61.48002	0.3
62.08740	0.4
66.83932	0.3
70.22928	1.6
88.14457	0.3
93.03471	8.8
98.20575	0.4
103.55933	0.3
117.03513	0.5
133.02994	0.8
145.02898	0.4
146.40559	0.4
159.04489	1.2
159.42767	0.3
161.06071	0.6
209.09756	0.5
215.55014	0.4
218.07248	0.4
222.06815	0.4
227.03561	0.7
235.07605	0.9
237.09242	0.6
242.02254	1.7
246.06931	0.5
247.07549	0.6
249.05457	0.6
251.03542	0.8
253.08621	0.9
263.07135	1.0
265.05136	0.8
265.08710	0.7
267.02939	0.4
279.03003	13.5
280.03339	1.5
281.08154	2.0
291.06631	5.4
292.07297	0.5
293.04575	6.4
294.02194	0.7
294.05286	7.1
295.05606	0.5
307.06232	0.6
309.07693	100.0
310.08047	14.0
318.01102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
59.04329	0.4
71.30648	0.6
79.90604	0.4
88.65828	0.3
108.02173	0.4
151.89981	0.3
159.04495	0.3
159.08147	0.4
173.06065	0.8
182.03789	0.3
183.04459	0.4
198.03149	0.4
208.17749	0.3
209.06279	0.4
214.02820	0.4
219.08235	0.4
221.05945	0.4
223.07771	0.3
224.04765	0.4
227.03493	1.5
235.03941	0.4
235.07590	0.4
240.08969	0.5
242.02226	3.1
243.26146	0.3
247.07666	0.7
248.04784	0.5
249.05608	0.7
251.03444	1.1
254.02240	0.5
263.07065	0.8
265.05023	2.3
265.08505	0.4
266.05746	0.7
267.03036	0.6
268.03790	0.5
277.05185	0.4
279.03000	20.8
280.03333	1.7
281.08218	0.5
291.06641	7.3
291.19507	0.9
292.07211	1.8
293.01184	0.6
293.04553	12.2
294.05313	10.7
295.05725	1.0
307.06174	1.0
309.07681	100.0
310.08051	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90712	2.3
52.41371	2.2
55.01876	4.2
57.03453	11.7
57.95095	2.2
59.01381	19.5
61.98845	3.5
65.03965	59.4
69.03442	3.6
71.01377	4.1
71.05022	37.4
71.72240	4.3
73.90282	2.3
83.05035	7.3
85.02981	2.9
87.39439	2.2
93.03471	8.2
96.96003	2.8
97.02951	3.8
97.06599	73.5
98.06933	3.2
99.08141	2.8
107.05017	3.3
109.06623	3.3
111.04519	3.7
115.67873	2.5
117.07118	8.4
119.08692	20.7
121.02974	2.9
121.06615	88.8
122.06931	5.0
123.00862	3.1
123.08186	7.1
125.06092	3.1
125.09741	51.4
135.04527	7.7
135.08182	36.3
137.02527	3.1
137.09735	5.6
138.03246	2.5
139.04022	5.7
139.11382	2.5
158.08095	2.0
171.10277	38.0
179.03519	7.7
185.11850	78.1
186.12161	3.3
195.99684	2.5
207.13861	4.8
209.11850	41.2
210.12042	3.0
211.13409	36.4
235.13400	100.0
236.13719	3.6
237.14990	3.8
245.19197	5.4
249.14940	9.6
253.52373	2.6
271.17114	2.8
279.12378	4.3
279.19702	3.8
281.75024	2.3
289.18103	74.9
290.18414	8.2
307.06100	4.8
307.11981	43.9
307.15546	9.8
307.19083	60.9
308.12183	3.9
308.19360	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01374	4.6
61.98830	0.5
69.03451	0.8
70.27644	2.6
71.01373	0.7
71.05030	4.4
79.58588	0.5
81.03442	1.5
83.05024	1.8
85.02966	0.7
95.05036	1.7
96.95988	0.8
97.06587	0.5
98.03723	1.5
99.08168	0.5
106.04285	0.9
107.05026	0.9
109.02932	0.8
109.05875	0.9
109.06603	12.5
111.04533	6.4
111.08167	1.6
112.05367	0.9
113.54974	0.5
116.95885	0.5
123.04513	1.4
123.08173	1.2
125.06116	1.1
127.07674	3.5
135.04536	2.3
137.06110	1.0
137.09731	1.2
143.10771	2.2
145.06593	2.0
149.06081	1.0
149.09695	1.1
153.09224	0.7
167.10779	2.2
170.57298	0.5
174.29143	0.5
177.12862	0.6
179.03459	2.0
179.10852	1.8
181.12416	0.8
191.14474	0.9
195.13945	3.6
207.17532	0.5
217.16254	0.6
223.09770	1.0
235.13356	1.5
245.19060	4.8
251.16559	1.5
271.17096	0.7
287.16489	2.0
289.18073	100.0
290.18454	9.3
307.06070	0.9
307.15448	3.2
307.19101	11.1
307.22791	0.4
308.19385	1.1
324.07715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94109	2.5
57.03447	24.7
59.01381	15.4
69.03440	4.8
69.47889	25.7
71.01384	11.0
71.05019	9.4
83.05031	8.4
85.02960	3.9
93.03412	2.5
95.05049	5.5
97.02930	3.7
97.06596	24.1
98.03717	2.9
98.20698	4.4
99.08170	20.4
104.90601	2.6
107.05050	3.4
109.06555	5.2
111.04593	2.9
111.08176	17.2
123.04552	5.1
123.08125	3.2
125.06113	3.9
125.09734	7.6
127.11250	3.4
135.04501	3.6
135.08182	4.5
137.09717	4.1
137.41530	2.8
139.07614	2.5
144.44345	3.0
149.09651	4.5
151.11325	27.9
153.09230	4.2
153.12846	5.7
155.10777	9.1
163.11275	9.7
165.12874	33.0
167.10764	5.9
169.12320	5.7
171.10257	3.6
177.12924	4.7
179.03510	4.0
179.10814	16.3
181.12364	45.6
183.54970	2.7
185.11856	7.6
191.10817	21.3
191.14438	8.6
197.11862	4.6
205.12305	7.4
207.10272	6.9
209.11844	100.0
210.12160	4.4
211.13408	8.7
217.16017	2.6
224.10440	3.0
239.09305	3.4
245.19139	31.4
246.19336	5.9
261.18588	4.2
263.17075	2.3
263.20175	9.7
279.19678	4.5
289.10834	3.9
289.18097	43.7
290.18555	3.2
307.12097	4.1
307.15445	15.5
307.19125	82.3
307.22662	4.5
308.19476	6.2
319.10587	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.36478	0.9
55.41403	0.9
57.03447	6.3
59.01382	7.3
67.01895	1.6
69.03457	2.6
71.01388	1.0
71.05028	1.5
71.72677	1.8
77.80379	1.0
80.02691	1.7
81.03452	7.2
83.01398	8.2
83.05031	4.9
89.95172	1.0
90.76277	0.9
93.03442	1.1
95.01407	2.6
95.05013	5.0
97.02959	5.3
97.06602	12.3
99.08161	2.8
101.49178	0.9
106.04276	1.6
107.05037	2.0
109.02978	1.2
109.06593	3.0
110.03762	1.9
111.04511	1.3
111.08185	1.4
113.06095	1.4
119.08677	2.8
121.02962	1.0
121.06584	4.1
123.04542	10.1
123.08193	6.0
125.06090	1.9
125.09732	22.5
135.04588	1.5
135.08167	3.9
135.21774	0.9
137.06125	2.2
137.09729	15.4
141.12857	2.9
142.02763	2.1
145.91200	1.0
149.06096	2.6
149.09618	1.0
151.07681	1.8
151.11324	1.6
155.77304	0.9
160.08995	1.4
160.28241	0.9
161.09756	1.5
163.07643	2.9
163.11305	18.8
163.12537	0.6
164.08427	1.6
165.09198	1.4
165.12874	3.4
167.10806	3.0
171.10266	2.3
173.09668	1.1
179.03455	1.8
179.10771	2.2
181.12383	4.7
185.11848	18.3
189.12804	1.5
191.10812	3.0
191.14412	21.0
197.11853	1.4
207.10272	11.9
207.13835	0.9
208.10692	1.0
209.11833	52.2
210.08585	1.5
210.12160	2.7
211.13385	2.2
217.12309	1.6
217.15952	3.2
225.11320	11.8
226.11871	1.6
227.18059	1.6
229.15932	1.1
238.08607	1.2
245.19095	49.7
246.19418	4.2
246.84073	0.9
247.16986	1.5
251.12909	1.2
261.18686	1.0
263.20139	8.1
271.17075	6.4
275.12915	1.5
289.11127	6.5
289.18082	100.0
290.18405	7.9
293.31525	1.0
307.11893	1.7
307.15518	4.3
307.19141	56.6
308.19348	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	307.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49546	0.3
57.03445	2.0
59.01377	2.3
68.99828	0.7
69.03459	0.4
69.44041	3.6
71.05014	3.3
75.80280	0.3
78.05078	0.3
79.75388	0.4
81.07106	0.3
83.01422	0.4
85.02967	3.0
94.95847	0.3
95.01384	0.6
96.02139	0.3
97.02966	0.6
99.08169	6.5
101.06085	2.4
107.05096	0.4
108.02222	0.7
109.02943	0.6
109.06599	2.5
111.00893	2.2
113.02474	1.8
121.06600	1.2
122.03770	0.4
123.28709	0.3
125.02470	0.5
125.06098	5.2
125.09734	1.8
126.06470	0.3
127.07639	0.6
135.08138	0.6
137.02463	1.5
137.06027	0.5
137.09746	1.1
138.03360	0.4
139.07698	0.6
145.06577	0.5
150.03229	0.6
151.07672	0.7
153.09204	1.2
161.06087	0.8
161.09734	1.0
163.03935	0.6
163.07668	4.8
164.08041	0.5
168.18558	0.3
169.08688	1.1
171.38043	0.3
177.01927	1.5
177.05603	0.9
177.09204	1.0
179.07162	1.7
181.08696	3.5
182.02248	0.5
189.05646	0.7
189.09280	0.5
191.07117	0.9
191.10815	0.5
191.14461	0.5
192.07886	1.0
193.08664	0.4
194.09531	1.0
195.06657	6.6
196.07027	0.4
197.08209	13.2
198.08556	0.9
203.07082	0.4
204.07819	0.5
205.08643	1.3
206.09470	2.1
207.10153	0.6
209.04550	4.0
209.15413	0.4
217.08615	0.4
219.06696	0.8
219.14079	0.8
219.17505	0.6
221.08133	1.2
223.06140	1.1
229.12361	0.8
234.09010	1.2
237.07690	1.5
238.08437	5.2
245.08176	4.2
245.15399	2.1
246.08865	0.7
246.12630	0.7
247.13387	9.1
248.13847	1.3
249.07666	1.2
250.08382	0.5
261.14899	2.3
263.16437	1.8
265.14432	1.0
270.86288	0.4
271.13406	0.6
274.12021	0.7
279.16031	0.4
289.10922	0.9
289.14438	21.9
290.14731	1.6
292.13239	1.6
307.15512	100.0
308.15851	11.8
308.18552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
60.74148	0.4
69.74603	1.4
69.75031	1.4
79.53944	0.3
85.02964	0.4
85.29760	0.3
95.01456	0.5
95.81570	0.4
99.08144	1.0
109.02938	0.3
111.00838	0.4
120.66858	0.4
124.01652	0.5
125.02448	0.8
125.06075	0.8
137.02493	0.5
153.01988	2.9
154.02763	3.4
163.04025	0.4
170.00256	0.4
178.06326	0.4
180.00664	3.0
181.01498	2.0
181.05159	1.7
182.02248	15.9
183.02580	0.6
195.03114	0.5
195.06631	1.9
197.08223	1.4
208.55418	0.3
209.04527	0.9
209.08177	0.9
210.05318	0.6
220.07382	1.0
221.08195	1.4
221.23456	0.3
223.06108	1.4
229.00357	0.4
237.07672	0.5
238.08481	100.0
239.08815	7.4
247.13467	0.6
265.14716	0.4
268.33035	0.4
289.14420	2.4
307.15543	24.6
308.15829	2.2
315.04086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01876	0.9
57.03455	1.1
58.00595	2.6
59.01381	53.5
69.52863	0.9
69.53262	4.1
71.01388	30.0
72.01727	0.5
72.99306	2.4
73.02956	2.5
83.01389	2.7
85.02959	8.3
87.00914	3.2
89.02455	28.9
90.02792	0.7
95.01363	2.3
96.96036	0.5
99.00870	1.6
99.08174	19.0
100.08471	0.7
101.02456	21.0
111.00890	7.8
113.02464	11.8
113.09723	0.6
114.02797	0.6
119.03518	11.4
125.02461	0.6
127.07658	10.3
128.08052	0.6
129.09244	1.4
131.03510	1.0
135.04547	9.7
141.09219	1.7
143.03529	1.2
145.08727	57.5
146.09100	2.0
149.04668	0.6
161.02444	0.8
161.04582	2.1
179.03517	10.3
179.05569	2.6
180.03807	0.6
187.07610	0.6
187.09787	1.4
227.12642	0.6
307.08212	2.4
307.14008	100.0
308.14343	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
56.28790	0.1
57.03441	0.4
59.01385	0.7
61.07021	0.1
69.57632	1.2
71.05038	0.3
76.90227	0.2
79.01901	0.2
85.06606	0.3
95.05040	0.3
97.02962	0.3
97.06626	0.2
99.08179	0.5
107.05081	0.3
109.02998	0.3
109.06620	0.3
111.04533	0.4
113.06078	0.2
113.39223	0.2
123.04580	0.3
123.08185	0.2
124.01665	0.7
125.02467	1.0
125.06072	1.5
127.07696	0.2
128.32199	0.2
135.04501	0.5
137.02481	0.5
137.09717	1.3
139.00331	0.2
149.02422	0.2
149.06157	0.2
149.62631	0.2
151.00366	0.5
151.03967	0.3
152.01169	0.2
153.01965	2.5
153.05602	0.5
154.02736	4.4
155.03371	0.2
155.10789	0.5
161.09732	0.3
167.03500	4.9
168.03857	0.2
177.01860	0.3
177.05602	0.5
179.03505	0.8
180.00656	4.6
180.04251	0.6
181.01447	1.2
182.02223	25.4
183.02499	1.0
191.10751	0.3
193.08682	0.3
193.12358	0.5
195.03000	3.0
195.04715	0.3
195.06627	2.6
195.10268	0.2
196.03703	1.1
205.05054	1.0
205.08720	0.5
209.08141	0.4
220.07451	0.8
221.08154	1.7
223.06081	2.6
223.09720	0.2
235.09778	0.8
236.10370	0.5
237.07730	0.9
237.11174	0.8
238.08453	100.0
239.08797	7.3
243.13872	0.3
245.15398	0.5
263.16400	0.2
271.13516	0.2
289.11169	0.2
289.14426	3.4
290.14920	0.3
307.15503	30.5
308.15839	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03439	0.9
58.00584	1.5
59.01379	39.3
61.53492	0.5
61.98837	1.3
69.03480	0.6
70.73839	1.3
71.01385	21.6
72.99310	2.1
73.02953	1.2
83.01398	1.7
85.02961	4.5
87.00892	2.1
89.02451	19.3
95.01404	1.7
96.96029	1.9
98.06367	0.4
98.19973	0.6
99.08165	20.5
100.08494	0.7
101.02451	14.9
101.03084	1.0
107.26242	0.5
111.00875	1.4
113.02465	7.6
113.09684	0.9
119.03510	6.7
119.04961	0.7
121.06614	0.8
127.07668	6.9
129.09235	1.6
135.04561	3.2
141.09268	2.5
143.03520	0.5
143.07198	0.7
145.08728	62.3
146.09077	2.0
149.06137	2.2
156.56569	0.5
159.04477	0.5
165.05586	0.7
172.05342	0.6
173.06004	0.8
179.03531	2.4
179.05624	1.5
187.07643	3.0
187.09781	1.7
193.05132	3.6
202.06377	0.9
231.10306	1.8
263.12830	3.0
266.26108	0.5
271.08215	0.9
307.14023	100.0
308.14392	7.8
317.48856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01889	1.0
57.03444	0.8
58.00599	1.7
59.01381	97.7
60.01714	0.9
63.07523	0.6
71.01388	23.9
71.20419	1.5
71.20762	0.6
72.99324	1.5
73.02964	1.1
75.00874	0.8
81.24628	0.7
83.01403	2.4
85.02953	5.7
87.00884	1.2
89.02451	20.9
95.01409	1.5
99.00868	0.8
99.08150	3.8
101.02457	14.1
109.02993	1.1
113.02464	8.0
113.79557	0.6
119.03539	7.2
119.05033	1.2
120.99671	2.6
127.06850	0.9
127.07672	5.6
135.04547	14.8
136.04851	0.7
145.08716	13.5
161.02467	1.1
179.03513	14.7
184.67679	0.6
219.10748	0.7
259.49396	0.7
307.08151	4.4
307.14005	100.0
308.14368	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	306.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79506	0.8
59.01377	1.9
61.98835	100.0
69.69052	4.8
70.29523	0.5
71.01402	1.2
81.81882	0.6
85.02956	0.7
89.94601	0.6
101.02484	1.2
103.76742	0.6
125.02523	0.7
133.03026	2.1
135.04552	3.3
143.05038	0.8
155.05106	1.5
171.04625	1.7
178.02805	1.1
179.03537	3.5
183.04588	2.0
187.24316	0.6
189.05682	1.0
199.04002	4.0
227.03503	54.5
243.02980	31.9
243.05495	1.0
244.03331	3.8
254.08247	0.8
306.07437	1.4
306.99182	18.1
307.02493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22732	0.2
59.01381	0.7
60.45173	0.2
61.33860	0.2
61.98832	100.0
62.98531	0.3
65.21996	0.2
67.18884	0.2
69.97525	1.2
83.87115	0.2
85.47115	0.2
104.28759	0.2
109.67780	0.2
161.98975	1.1
162.98412	1.1
163.98717	0.6
164.32578	0.2
164.96411	69.1
165.96480	3.6
179.03474	0.3
206.97453	27.1
207.97595	1.5
264.96625	0.4
306.97549	27.6
307.97617	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	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01378	11.3
65.14400	0.7
70.86607	1.8
71.01382	7.2
81.03474	7.3
83.01409	0.9
83.05033	44.4
84.05378	0.9
84.97421	0.6
85.02965	3.6
87.00862	1.0
87.29609	0.5
89.02460	6.4
95.01411	1.6
95.05045	1.9
97.06607	1.9
98.20473	0.6
101.02445	3.6
101.06100	22.6
102.06416	0.7
107.05051	1.8
109.02959	2.0
113.02455	6.9
119.03523	2.2
119.13576	0.6
123.04530	1.1
125.06095	14.6
127.04044	3.7
127.04877	0.6
133.02980	2.1
134.03734	2.2
135.04544	52.7
136.04887	2.0
141.05609	3.1
145.05089	100.0
146.05432	3.8
150.03242	1.2
151.03999	1.1
159.06610	0.6
161.02513	3.3
161.04498	1.6
169.05083	14.7
179.03517	48.0
179.05501	1.6
180.03859	2.3
187.06187	1.7
223.61562	0.6
247.08240	1.9
289.07233	1.4
307.07983	10.0
308.08658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2124
Annotation	3alpha,11beta-Dihydroxy-5alpha-androstane-17-one
Peak:m/z	Relative Intensity
55.01866	1.3
57.03442	1.6
59.01384	0.5
61.96567	0.4
64.83959	0.3
68.99822	0.4
71.01398	0.7
71.72671	0.6
75.72722	0.4
79.01897	0.5
79.05542	5.4
84.83302	0.5
85.02936	0.7
85.06580	1.9
86.83611	0.4
99.04499	0.5
105.07111	0.7
109.02989	2.2
111.04531	3.7
111.08125	0.9
121.06615	3.9
123.00900	3.6
123.04572	0.5
123.08157	1.8
124.01688	0.7
125.06116	2.5
125.09737	0.7
135.04456	0.6
135.08170	1.6
137.09647	1.0
139.04108	0.5
139.07635	0.6
141.01964	1.7
141.09235	2.2
147.08206	0.5
149.06081	1.3
151.04071	2.3
151.07681	5.9
151.11304	3.5
152.04869	2.4
153.09091	0.4
155.10802	2.0
161.09760	0.6
165.05615	2.4
167.07172	5.6
167.10823	0.6
179.03481	1.9
179.10793	5.9
180.04301	10.8
181.04659	0.7
191.10779	0.5
205.08684	0.5
219.10262	0.6
219.17592	3.2
221.08289	0.5
221.11855	1.3
229.15971	5.2
235.09708	1.7
236.10532	18.0
237.10997	1.7
237.14966	1.3
247.17026	64.3
248.17378	6.7
261.18539	1.8
277.21573	1.3
287.20117	0.9
305.13910	5.0
305.17575	37.5
305.21228	100.0
306.14658	0.9
306.17935	5.4
306.21567	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	305.2121
Annotation	3alpha,11beta-Dihydroxy-5alpha-androstane-17-one
Peak:m/z	Relative Intensity
55.01862	1.0
55.86140	0.5
57.03424	1.3
59.01357	0.6
63.18965	0.5
69.50841	0.5
69.51125	5.0
71.01435	0.5
71.05035	0.7
79.05536	3.9
105.07048	0.5
109.02959	1.4
111.04523	0.7
121.06624	3.7
123.00893	3.6
123.04461	0.7
123.08167	1.8
125.02515	0.8
135.08157	1.2
137.02480	0.9
139.03964	1.0
141.01974	0.9
141.09207	1.7
149.06062	1.5
151.04015	1.7
151.07663	5.6
151.11319	2.7
153.09119	0.7
155.10767	1.4
161.09775	1.0
165.05585	2.4
167.03468	1.5
167.07169	6.4
167.10838	0.7
179.10805	4.5
189.09100	1.0
219.17506	3.6
220.07155	0.8
221.08070	2.4
229.15878	3.7
237.14922	0.8
247.17015	58.1
248.17387	3.7
259.16998	0.6
277.21783	0.8
287.20062	0.8
289.13489	1.0
305.14005	4.3
305.17477	4.6
305.21191	100.0
306.14511	2.1
306.18027	0.6
306.21494	10.3
306.25079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2121
Annotation	3alpha,11beta-Dihydroxy-5alpha-androstane-17-one
Peak:m/z	Relative Intensity
57.03182	1.9
57.03450	33.4
59.01361	1.6
61.98845	2.5
69.24026	1.3
69.63314	1.3
69.87484	5.5
69.87897	4.0
71.01373	1.4
71.05029	9.8
82.63638	1.3
83.05014	5.5
84.02164	4.2
85.02969	9.0
86.03742	6.4
87.04531	3.3
88.64798	1.5
99.04533	1.5
107.77850	1.5
109.06656	2.2
111.04547	4.4
121.06624	1.6
123.08190	4.3
125.09772	10.5
127.11327	1.8
128.32513	1.5
137.02481	2.5
137.09709	5.8
139.11325	3.7
141.09192	2.5
147.08279	1.6
149.09753	3.5
151.07512	1.6
153.09215	2.2
155.09554	3.1
155.10800	50.9
156.11101	2.3
159.78712	1.4
161.09769	1.7
167.10852	9.3
179.10791	12.5
180.11572	34.4
181.11975	2.2
189.09213	3.4
190.09975	5.9
191.10748	3.4
193.89725	1.4
199.09724	2.0
206.09480	3.1
208.11052	2.6
209.15471	2.6
235.17113	3.0
236.54602	1.5
247.16933	1.6
262.11966	1.7
263.12930	2.9
277.13919	1.6
277.21704	13.8
287.20166	30.0
289.14481	4.3
305.13928	16.1
305.17502	3.9
305.21222	100.0
306.14389	2.4
306.21555	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01907	1.1
57.03451	3.9
58.02990	1.5
59.01379	12.5
61.98835	2.3
66.96973	1.3
67.35249	1.2
70.22879	6.4
71.05028	35.0
81.03468	4.0
83.05048	1.5
85.06673	1.2
93.03491	3.4
95.05042	16.4
97.06552	1.5
103.12193	1.1
106.04259	2.0
107.05067	1.6
109.02963	2.4
109.06606	12.1
111.04544	10.8
119.05032	1.9
121.03008	1.3
121.06618	4.9
122.03780	1.5
123.04539	1.7
125.02518	2.9
125.06122	9.3
127.07696	1.6
135.08209	3.3
137.02461	2.1
139.04031	1.7
141.09233	2.7
147.08148	3.4
149.09743	1.5
150.06859	1.6
153.05504	1.2
153.09293	1.2
159.98669	1.0
161.06064	3.2
161.09799	1.5
165.09273	11.6
167.03566	2.6
175.07681	3.7
179.07204	1.3
180.04221	2.8
181.04910	2.2
189.12900	12.6
193.01476	1.4
200.03380	1.3
205.15952	7.4
209.08197	1.6
231.13879	1.5
233.11807	6.6
243.17534	10.0
249.14978	10.7
259.13617	1.7
261.14847	2.7
261.18628	2.6
263.16281	1.6
269.15375	2.4
286.78137	1.3
287.16544	65.9
288.16745	5.4
289.14594	1.6
305.13937	42.2
305.17590	100.0
305.21072	3.8
306.14380	7.4
306.17950	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
50.18817	0.4
52.76915	0.5
55.01859	0.5
57.03447	1.0
59.01380	4.3
68.99835	3.3
69.03456	0.8
71.05028	22.3
71.72261	0.8
80.02686	0.5
81.03458	2.1
83.05029	0.9
85.06575	1.6
93.03453	1.3
95.01402	0.5
95.05044	11.5
97.02975	0.6
97.06622	1.0
100.69881	0.5
106.04281	2.4
106.04857	0.4
107.05043	2.0
109.02965	1.4
109.06612	9.2
111.04536	11.6
119.05049	0.6
121.02942	0.5
121.06625	4.1
122.03738	1.4
123.04639	0.6
123.08180	0.8
125.02460	1.5
127.07677	1.7
130.04218	0.5
131.05025	0.7
135.04465	0.5
135.08171	2.1
136.05322	0.9
137.02448	1.1
137.06108	0.7
138.03319	0.9
139.04021	1.9
139.07642	0.9
147.04504	0.8
147.08200	2.5
149.06186	0.5
149.09753	1.0
150.06909	1.1
153.01875	0.6
161.06097	2.0
161.09686	0.6
164.08496	0.7
165.09239	8.2
167.03548	3.0
168.04314	1.3
169.05078	1.8
175.07565	0.6
175.11267	1.7
177.09122	0.7
179.14441	0.9
180.04341	0.9
181.05054	1.9
189.12889	8.8
190.13271	0.7
199.11366	1.1
200.03317	3.9
203.14430	0.8
205.16002	6.1
215.10753	0.5
231.13905	1.0
233.11816	5.0
235.13397	0.6
241.16064	0.6
243.17525	6.9
244.17883	0.9
245.15494	0.5
249.14958	7.4
250.15335	0.6
254.61508	0.5
261.14999	0.4
261.18585	2.6
263.16586	0.8
269.15482	1.1
287.16534	48.6
288.16849	5.3
305.14133	5.7
305.17566	100.0
306.14615	4.3
306.17935	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01377	1.7
69.03461	3.0
70.91824	0.5
70.92158	0.5
71.01387	4.0
71.05009	0.3
83.05017	0.4
85.02947	0.9
85.06602	28.0
86.06945	0.8
86.20773	0.3
95.01398	0.6
95.05009	0.5
96.02180	0.4
105.07116	0.7
109.06583	0.7
111.04550	3.8
111.08177	32.2
112.08488	1.0
121.10263	0.6
123.00906	0.6
123.04710	0.3
123.08180	2.3
127.07707	0.3
135.08168	0.7
137.09724	0.5
139.07678	17.5
140.08034	0.7
148.09007	1.6
163.11328	0.6
169.05078	0.3
175.11255	0.7
181.05025	0.3
189.12846	0.3
191.14438	6.7
192.14764	0.3
193.12340	1.2
201.12891	0.6
203.14490	2.3
209.11726	0.3
216.02698	0.3
220.94948	0.3
221.31581	0.3
243.17606	0.3
251.30289	0.3
261.18591	7.4
262.18927	0.6
287.16516	0.9
297.43292	0.4
305.17581	100.0
306.14703	0.6
306.17926	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	40.0
58.68773	0.3
59.01380	0.2
59.03322	0.6
69.81663	1.7
70.02981	0.2
83.75326	0.2
110.54144	0.2
111.04523	0.5
137.02489	0.8
152.04803	0.3
168.13954	100.0
169.14308	6.0
180.04277	1.2
212.12929	3.2
213.13145	0.3
277.14423	0.3
280.88754	0.2
304.19293	1.4
305.13931	2.2
305.17551	1.5
305.20673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03444	0.4
57.59499	0.3
59.01364	0.4
63.05295	0.3
63.17450	0.3
78.14934	0.3
83.79434	0.3
109.06593	0.4
111.04556	0.8
114.32317	0.3
120.33228	0.3
123.04504	0.6
124.01676	0.5
126.13406	0.3
137.02444	0.4
137.09741	1.5
139.04092	0.7
151.04077	2.0
152.04817	4.2
153.05476	0.4
165.01997	0.5
167.03568	0.9
168.04062	0.4
177.01910	0.4
179.03519	7.4
179.05124	0.4
179.06987	0.4
180.04300	34.3
181.04688	1.4
184.03812	0.8
193.12399	0.5
207.06551	0.3
207.10255	0.9
208.07410	0.6
208.10983	0.4
219.10243	1.8
221.08209	2.7
235.09741	4.5
236.10532	60.3
237.10915	5.1
243.99426	0.4
247.17232	0.4
249.54855	0.4
261.18597	4.2
262.18878	0.8
305.17578	100.0
306.14645	2.5
306.17886	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	303.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
58.00579	0.4
59.01378	100.0
60.01712	1.2
65.00334	0.4
69.03455	0.6
69.98080	1.4
69.98512	1.4
71.01388	7.9
73.02952	7.5
75.00926	0.4
81.03437	0.4
83.01401	2.0
85.02991	0.9
87.00880	0.5
89.02440	4.5
99.92616	0.9
101.02459	6.2
113.02465	3.4
115.92088	0.5
116.92921	0.5
119.03519	1.6
123.39618	0.4
125.02499	2.1
131.03503	0.6
140.85620	0.5
143.03442	0.5
151.00444	1.2
155.03490	0.4
161.04575	0.5
175.03976	0.5
199.03998	0.6
243.03023	0.7
255.43947	0.5
259.02554	1.8
261.04147	1.3
285.00571	1.5
285.04330	0.7
303.01419	1.1
303.04593	1.5
303.08844	1.1
303.14630	0.8
304.09366	0.4
315.28171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10657	0.2
59.01376	3.3
61.98833	100.0
70.18365	0.9
72.97089	0.2
74.69730	0.2
94.36691	0.2
109.32392	0.3
114.92596	0.2
117.02277	0.2
117.99078	0.2
130.20351	0.2
141.34512	0.2
142.99591	0.2
159.01491	0.5
160.01678	1.0
161.01254	1.4
161.98972	21.7
162.99088	1.4
163.53758	0.2
165.13737	0.2
202.02585	0.3
203.02361	0.3
204.00003	4.5
205.00095	0.4
261.98865	0.5
304.00058	16.0
304.02652	0.9
305.00067	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	303.1449
Annotation	Urechitol B
Peak:m/z	Relative Intensity
57.73957	0.5
59.01379	37.0
60.01698	0.7
72.99311	15.9
75.00447	1.3
75.00876	24.2
109.02920	0.6
121.02943	1.1
142.52194	0.6
151.00404	1.5
153.01016	1.4
181.00369	1.0
200.52260	0.6
209.11771	1.5
227.12889	28.9
228.13228	1.8
241.14412	4.2
241.45470	0.7
243.12352	17.6
244.12582	0.8
245.57045	0.7
259.02383	0.7
285.13416	5.1
303.04190	9.5
303.14487	100.0
304.14865	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
58.00600	1.6
59.01379	100.0
59.52476	1.2
60.01715	1.5
69.38699	13.4
69.39088	2.1
71.01387	21.7
72.99310	27.9
75.00881	10.1
75.25748	1.1
79.05522	2.4
81.03460	1.4
83.01399	3.0
85.02951	2.5
87.00864	1.4
89.02454	32.1
95.05048	2.1
97.06602	11.3
99.00906	9.2
101.02494	1.6
105.07121	1.3
105.45660	1.1
107.05012	2.6
108.02198	1.9
108.38712	1.2
109.02985	1.4
109.06582	3.9
111.00923	2.1
111.08162	7.2
112.98822	7.0
113.02457	2.6
115.00368	1.7
117.01960	18.8
119.05069	1.3
119.30829	1.2
120.05774	1.8
121.02962	2.3
121.06628	6.6
123.04543	4.0
123.08194	3.7
124.01670	3.1
124.98836	1.7
125.02468	18.8
125.06078	5.7
126.02802	1.8
135.03012	8.6
135.04544	2.2
135.08214	2.9
137.02412	2.5
137.06100	3.1
139.07661	7.7
142.99884	44.8
147.63864	1.2
149.06099	12.0
151.00391	2.6
151.04025	1.2
152.01085	1.4
153.05595	12.0
166.06332	2.1
167.03482	1.6
167.07147	18.8
173.00932	10.2
174.01740	11.9
174.03200	1.8
175.02600	1.4
175.04019	4.7
177.01973	3.4
181.08725	8.5
188.04794	1.6
193.05000	3.1
199.04076	2.3
203.03645	1.7
211.06082	2.9
213.07721	1.3
215.03572	1.6
217.05103	2.6
225.07727	20.0
227.12820	2.0
229.05055	1.9
257.04337	1.5
258.01678	1.7
259.02475	5.1
273.04047	23.6
274.04337	2.0
285.04028	18.7
286.04361	2.0
303.05133	31.5
303.14484	4.5
303.21646	2.3
304.05417	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	303.0512
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.51755	1.9
57.03432	4.2
59.01374	23.4
63.13840	1.8
63.61886	2.1
65.44852	2.0
67.01888	2.2
69.82997	2.7
69.83318	14.3
71.01391	10.0
71.05029	3.3
72.99322	2.9
73.02930	5.3
75.00874	4.4
78.53853	1.8
79.04279	1.9
81.03465	6.9
83.01379	6.7
83.05026	2.2
83.06210	2.0
85.02945	6.2
93.03474	2.2
95.01357	3.0
96.95985	2.4
97.02949	7.6
97.06619	2.1
99.00893	7.9
101.06106	3.1
108.02221	3.3
109.02966	22.2
111.00905	11.3
113.02443	3.5
115.03992	2.5
121.02969	3.2
123.00874	6.0
123.04446	3.1
125.02460	64.4
126.02786	2.4
127.00368	2.6
133.02924	5.4
135.04570	2.4
135.26657	1.8
137.02454	28.2
138.03159	5.6
139.00406	25.8
139.04018	2.8
140.01183	2.6
141.01961	56.1
142.02260	2.9
143.04948	2.4
145.05063	6.9
147.04524	3.4
149.02428	10.1
153.00703	2.8
153.01953	47.0
154.02336	3.2
159.04581	2.5
161.02477	25.3
162.03052	2.8
162.41402	2.5
163.04042	2.9
164.01263	2.7
165.01965	9.8
166.02692	3.8
167.03494	8.3
173.02469	3.1
173.06033	3.5
174.03217	5.9
175.04028	23.1
176.04189	3.5
177.01930	13.2
179.03647	2.1
180.00629	3.6
181.01399	4.6
187.03960	3.6
189.05602	5.7
191.03609	2.1
199.03954	5.9
201.01921	8.4
203.03459	6.3
213.05617	4.0
215.03456	2.5
216.04256	3.3
217.05066	23.7
231.06572	3.1
235.06129	7.0
239.12849	2.3
241.05048	6.1
241.14468	3.2
243.02945	2.4
243.12378	11.8
257.04486	8.0
258.01642	4.1
259.01981	6.8
259.06104	8.6
260.02219	36.6
261.03986	2.7
273.03152	5.7
274.03848	9.4
275.04803	9.8
285.04001	26.0
285.13345	4.8
286.04318	2.4
298.06784	2.3
303.04388	100.0
303.14410	46.9
304.04944	8.8
304.14795	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	303.0513
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
54.00104	0.3
59.01352	0.4
61.65368	0.2
65.00327	0.2
69.76107	1.7
71.35381	0.3
109.44185	0.2
111.04513	0.7
125.02439	0.6
129.71851	0.3
132.59428	0.2
145.06610	0.5
147.08179	3.0
151.00290	0.4
157.06619	1.2
158.03748	0.3
159.04506	1.0
161.02484	0.4
165.01981	1.2
173.06122	1.4
174.03178	0.3
175.04031	0.6
177.05600	0.4
183.04517	0.9
183.13913	0.6
184.14259	0.5
185.02448	0.2
185.06084	0.7
186.03282	0.6
187.04008	1.1
189.05597	0.8
189.09171	0.3
199.03987	0.3
201.05594	4.8
202.02661	0.4
203.03500	1.4
205.05064	1.7
211.03992	0.4
213.05505	0.7
214.02744	1.8
215.03484	0.7
217.05061	2.2
227.03511	1.5
228.04199	0.4
229.05051	8.1
230.02206	3.6
230.05399	0.7
231.02916	2.0
241.05020	1.0
242.02184	0.3
243.02991	1.5
244.03658	0.9
245.04594	2.1
255.02997	0.3
256.03818	0.6
256.76849	0.3
257.04572	2.8
258.01703	5.0
259.02145	0.6
259.09897	0.7
259.13007	0.3
264.75168	0.2
267.02942	0.3
271.02487	0.4
272.03293	1.4
273.04025	72.5
274.04379	5.7
285.04037	19.8
286.04443	2.1
303.05106	100.0
303.12219	5.1
304.05441	8.7
304.12701	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	303.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37583	0.3
51.57960	0.3
52.63649	0.3
55.94176	0.3
57.03451	16.3
59.01389	1.0
63.02413	0.8
65.00333	3.1
67.01863	0.3
68.99823	0.3
71.72055	0.4
72.99332	0.4
75.00883	0.4
81.03477	0.9
83.01393	7.0
84.01667	0.3
85.02930	0.4
93.03474	0.9
95.01413	0.6
95.05064	0.3
105.03454	0.4
107.01410	3.2
108.02184	1.0
108.95605	0.3
109.02985	2.8
110.00137	0.4
111.00911	0.9
119.05055	0.5
121.02977	1.8
122.03766	0.7
123.04546	6.9
124.01678	2.3
124.04893	0.3
125.02467	100.0
126.02783	3.3
130.04193	0.3
131.05106	0.4
133.02968	0.8
137.02480	2.0
139.04042	2.1
143.05061	0.7
145.02988	0.3
145.06680	0.3
146.03763	0.6
147.04555	2.1
149.02455	5.1
150.03261	6.7
151.00392	8.9
151.04034	9.3
152.01198	5.1
152.04388	0.6
153.01964	8.6
154.02440	0.4
156.05756	0.3
158.03830	0.4
159.04584	0.8
160.01611	0.3
161.02448	1.0
161.06090	1.0
163.00366	0.3
163.04028	0.3
164.04805	0.4
165.01894	0.4
165.05594	1.4
167.03555	1.8
169.01479	0.4
171.04575	1.6
172.05321	0.5
173.02484	0.8
173.06125	0.8
174.03235	3.8
175.04019	17.2
176.01160	0.4
176.04388	0.8
177.01952	20.2
178.02304	0.9
178.99873	10.1
180.00304	0.7
181.01471	2.5
185.06113	0.7
187.04004	0.5
187.07715	0.4
188.04826	2.4
189.05600	4.7
191.03448	0.6
191.07225	0.6
193.05064	3.5
194.05367	0.4
195.04497	0.4
197.06104	0.7
198.03262	0.5
199.04015	8.4
200.04453	0.7
201.01926	2.3
202.02502	0.5
203.07124	0.4
213.05608	1.7
215.03479	0.8
216.04254	1.7
217.05063	9.7
218.05453	0.4
219.02998	0.7
224.11986	0.3
227.13000	0.5
231.06665	1.3
235.06068	0.4
241.05055	6.2
242.02261	0.5
242.05496	0.6
243.02998	1.2
257.04578	1.6
259.02472	0.5
259.03076	0.5
259.06122	5.4
260.06366	0.5
267.02863	0.3
275.05646	5.2
276.05850	0.7
285.04050	68.8
286.01434	0.5
286.04422	6.5
303.05099	11.5
303.14532	1.9
304.05527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	Securixanthone A
Peak:m/z	Relative Intensity
59.01395	1.6
61.98845	0.6
69.75769	0.5
71.14665	0.7
71.15015	1.0
86.66547	0.5
111.04544	0.5
111.36144	0.5
111.88746	0.5
112.67026	0.5
121.02972	0.7
141.49214	0.5
161.02501	0.9
177.01894	0.6
201.01965	0.9
217.01472	1.2
223.19676	0.7
229.01457	1.0
241.01483	1.2
245.00916	46.8
246.01299	2.7
259.02301	0.7
273.00406	79.5
274.00745	5.7
285.00430	8.5
285.03522	0.5
286.00858	0.9
287.01962	1.3
288.02765	97.4
289.03082	7.1
302.20526	0.8
303.05103	100.0
303.20590	1.9
304.05469	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	303.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
70.99764	2.4
71.00099	1.3
71.01391	6.2
73.02962	2.2
78.95910	100.0
79.18919	1.0
83.01406	1.2
85.02943	4.8
87.00880	7.7
87.92529	2.6
96.96040	11.1
96.96976	21.8
99.00883	3.2
103.92035	8.1
104.92800	2.3
108.10473	0.9
110.98544	87.8
111.00933	2.8
112.98833	5.9
115.00370	1.1
120.99667	2.2
123.94675	1.7
124.98843	1.9
128.03568	2.4
129.01974	3.4
139.64731	1.2
142.99878	39.0
143.93135	1.1
144.00256	2.0
145.96770	2.6
157.01486	1.4
161.96198	5.1
173.00929	27.5
174.01170	1.4
191.05637	17.2
199.94170	4.4
284.99969	1.8
303.05133	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66245	0.2
57.03442	0.2
59.01394	1.1
69.78210	1.2
89.02438	0.5
91.04007	1.0
98.19935	0.2
107.01399	0.3
121.03001	0.5
128.39398	0.2
151.00369	0.9
165.02005	0.4
165.12871	3.8
166.13165	0.3
168.26804	0.2
168.69623	0.3
171.81580	0.2
178.99817	0.4
183.13918	100.0
184.14264	4.5
204.97809	0.3
209.11841	2.7
210.12241	0.3
227.03552	0.4
227.12904	4.8
228.13254	0.3
242.02213	0.5
243.02948	0.5
255.02985	7.1
255.05910	0.4
255.06807	0.4
256.03342	0.8
270.08972	0.4
270.20203	0.2
273.03995	0.4
283.02490	3.2
284.02927	0.3
301.00064	0.4
301.03558	7.8
301.10986	0.5
301.16580	13.8
302.03821	0.8
302.16895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
60.13742	0.2
63.02389	0.3
65.00327	0.3
69.50917	0.7
69.51349	1.3
83.01389	0.4
89.02436	0.4
91.04026	0.7
93.03475	0.2
107.00752	0.2
107.01407	0.7
109.02956	0.4
109.62558	0.2
111.00970	0.2
111.08181	0.5
121.02963	0.5
124.01694	0.3
139.04041	0.3
142.62054	0.2
151.00409	2.4
155.93979	0.2
159.04655	0.2
163.00356	0.3
165.12871	3.5
166.13274	0.3
178.99870	0.9
183.13919	100.0
184.14264	5.1
204.04308	0.7
205.28830	0.2
209.11856	3.7
211.04042	0.2
227.12909	5.1
228.13200	0.3
245.04578	0.3
258.01678	1.0
261.78677	0.2
271.02460	0.3
272.03091	0.5
273.03891	0.4
301.03516	7.1
301.10913	0.7
301.16595	14.3
301.19849	0.6
302.03812	0.9
302.17026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
63.02397	0.6
65.00331	0.8
66.50641	0.2
71.05929	0.5
83.01399	0.7
91.04013	0.9
93.03472	0.4
94.68341	0.3
107.01380	1.9
111.08160	0.3
121.02983	1.5
121.65201	0.3
139.03990	0.3
149.02420	0.6
151.00394	5.8
165.12823	3.0
178.99884	1.6
183.13916	100.0
184.14253	6.6
200.28879	0.3
209.11839	2.7
220.52434	0.3
227.12878	4.6
245.04538	0.3
258.01501	0.3
272.03128	0.8
273.03915	0.8
301.03543	10.1
301.16571	13.9
302.03848	0.7
302.16928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
59.92957	0.2
63.02409	0.5
65.00321	1.0
70.28063	0.8
83.01376	0.5
89.02456	0.3
91.04018	0.9
93.03475	0.4
97.06601	0.3
98.19955	0.2
107.01411	1.6
111.08182	0.3
119.01155	0.2
121.02983	1.7
121.94456	0.2
139.04033	0.5
149.02466	0.3
149.21893	0.2
151.00388	4.4
163.00394	0.3
165.12869	3.0
169.01392	0.3
178.99887	1.5
183.13913	100.0
184.14255	5.5
189.21948	0.2
206.50211	0.2
206.98975	0.2
209.11855	2.1
227.12877	4.7
228.13237	0.5
229.05170	0.3
273.03860	0.7
299.48138	0.2
301.03552	7.5
301.16571	13.8
302.03934	0.8
302.16956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01380	10.9
60.01777	0.4
65.00336	0.5
69.03439	0.6
71.01041	0.4
71.01393	4.0
71.05010	1.3
71.72030	0.4
72.40588	0.4
72.98938	0.6
72.99316	10.2
75.00880	37.6
79.05540	20.3
80.05850	0.6
83.05050	2.3
85.06595	0.6
87.00878	1.2
95.01400	0.6
97.06591	2.0
98.40729	0.4
107.01395	0.8
108.02179	1.6
108.42590	0.5
109.02957	2.0
109.06577	0.7
121.02947	1.4
123.08160	0.5
124.01653	1.6
125.02471	0.9
125.06076	1.1
127.04011	1.1
135.00955	0.5
135.08138	0.5
137.02444	1.3
137.06032	0.5
139.04004	1.2
143.07149	2.4
145.10240	0.5
146.71342	0.5
147.08199	0.6
149.02505	0.6
151.00400	2.2
151.07668	0.7
153.09245	1.1
159.04509	0.6
161.02412	0.8
163.00343	1.4
163.11320	3.2
165.01970	8.0
165.09264	0.6
167.10750	0.8
169.08739	0.9
174.03264	1.8
183.04489	0.8
186.03255	0.7
189.09193	0.7
195.10280	0.7
199.03983	0.8
201.01849	0.6
201.05583	1.0
202.02664	1.4
207.10274	16.6
208.10562	0.7
209.11876	0.5
213.01942	1.0
213.11333	0.6
214.02682	0.5
215.03516	0.6
221.11842	1.0
225.11295	2.9
227.03528	1.8
229.01439	1.4
229.05005	1.5
230.00175	0.4
230.02243	2.7
239.12885	3.5
241.10861	1.3
243.02943	2.5
244.03702	0.7
245.04517	0.6
253.09698	1.0
255.03008	0.9
257.13998	1.4
258.01678	62.4
259.01962	4.4
265.10629	0.5
271.02466	5.6
271.10791	0.7
272.03217	10.3
273.03979	8.1
274.04483	0.5
283.02655	0.7
283.11929	3.0
301.03552	100.0
301.12927	83.1
302.03888	11.3
302.13318	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.093
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
61.36997	0.3
69.58914	2.4
69.82627	0.3
122.08534	0.3
123.00919	2.0
124.01681	100.0
125.02010	3.5
139.04033	87.9
140.04356	2.7
152.03403	0.4
190.66866	0.4
262.11566	0.3
301.09427	1.1
301.12778	0.4
302.66251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
59.01379	2.5
67.01890	0.2
71.01395	0.4
71.26234	0.4
74.99104	3.0
83.01375	0.2
84.66748	0.2
85.02927	0.3
89.02461	0.2
92.01233	0.2
93.03468	5.2
95.01414	0.4
95.05050	0.3
101.02455	0.4
109.02960	0.2
111.00927	0.2
113.02483	0.4
119.05056	0.4
121.02971	7.5
123.00905	5.4
124.01747	0.3
125.02383	0.2
135.04578	0.2
136.99178	3.0
137.02472	0.7
138.03244	3.7
139.04031	100.0
140.04372	3.2
140.05359	0.3
161.04573	0.2
165.01964	0.5
169.45889	0.2
170.96040	0.2
181.05101	0.5
241.08292	0.8
279.91187	0.2
301.05652	0.5
301.09195	3.0
302.09729	0.2
307.70056	0.2
310.75046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Paepalantine
Peak:m/z	Relative Intensity
59.01397	0.4
63.02406	1.2
65.00311	1.6
66.99106	0.4
67.01926	0.3
68.79330	0.3
68.99842	0.4
69.71655	2.5
70.30745	0.3
70.88411	0.3
79.05549	0.6
83.01407	0.8
84.16093	0.3
89.03984	0.6
93.03501	0.4
95.01417	0.6
98.19904	0.3
100.78601	0.4
104.02687	0.9
107.01411	1.4
108.02190	3.5
109.02984	2.1
119.01369	0.3
121.02956	1.1
123.04523	0.4
124.01684	0.4
125.02461	0.5
130.04262	0.7
132.02199	2.9
133.02975	3.6
135.01030	0.3
136.01703	0.4
139.03952	0.3
143.08670	0.4
145.02991	1.9
145.06592	0.8
147.08138	0.5
148.01692	1.0
149.02441	0.4
151.00417	2.3
155.08755	0.4
157.10194	0.5
158.03777	0.3
159.08179	0.6
160.01666	0.9
161.02458	27.5
162.02777	1.7
170.07384	0.5
171.08136	0.6
173.02545	0.6
174.03247	2.2
176.01132	1.6
178.99896	0.8
181.06537	0.4
185.06097	1.3
185.09663	0.9
186.06830	0.9
197.06071	1.2
199.03818	0.4
199.07692	2.5
201.09242	6.0
202.09552	0.5
202.99860	3.8
204.00652	3.9
213.05585	1.0
214.02731	0.6
214.06346	1.5
229.08691	100.0
230.09035	7.9
232.00121	4.2
241.05055	30.8
242.05470	3.2
255.06551	0.6
257.08173	24.4
258.08484	2.3
289.14886	0.3
301.07162	78.4
302.04324	0.5
302.07489	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	301.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28577	0.5
59.01378	4.7
59.04948	0.5
59.20169	0.4
63.96238	0.8
71.01396	2.5
71.37971	1.1
72.99315	1.5
73.02968	1.1
73.98336	2.7
74.99106	76.2
75.99451	0.6
85.02959	0.9
86.57195	0.5
93.03468	16.3
94.03809	4.4
95.01425	2.9
95.04076	1.3
101.02455	1.3
101.83529	0.5
109.02974	1.4
113.02477	1.6
119.05061	8.0
120.99667	1.0
121.02971	6.9
123.00907	49.5
123.58470	0.4
124.01778	3.0
125.02414	0.6
132.98201	0.6
135.98372	0.8
136.99170	70.9
137.02483	12.4
137.99541	1.2
138.03284	29.2
139.03012	6.0
139.04031	100.0
140.04347	2.7
149.02397	0.7
150.03203	0.6
151.02260	2.0
151.04004	1.3
153.01990	0.7
158.99812	0.7
159.02916	0.6
161.04549	2.4
163.04071	1.7
165.02005	0.8
165.04045	0.7
166.02765	1.2
175.19136	0.5
178.02689	0.7
181.05099	3.2
193.05089	1.6
196.97701	1.1
198.71991	0.5
209.36488	0.5
241.08237	0.7
279.70734	0.5
301.09268	5.3
304.35629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	7.1
65.00327	13.0
69.56440	2.3
83.01395	8.1
93.03476	3.8
95.01408	0.7
107.01405	21.1
108.01698	0.5
108.99361	0.3
109.02972	2.5
110.90021	0.3
121.02975	19.7
122.03321	0.5
123.00922	0.3
124.01653	0.6
125.02466	0.9
133.02983	0.3
135.04523	0.4
139.04059	2.1
147.04532	0.4
148.01712	0.3
149.02464	3.5
149.24380	0.3
151.00389	63.0
152.00706	1.8
159.04549	1.0
161.02554	1.3
163.00391	1.4
163.04010	0.9
164.01155	1.6
165.01915	0.5
167.05038	0.6
169.01440	3.7
171.04681	0.3
175.04022	0.7
178.99875	20.2
180.00252	0.8
183.04472	0.4
187.04021	1.2
189.01828	0.4
189.05556	0.3
192.00600	0.7
193.01442	1.3
196.00114	0.4
199.03987	0.3
201.05579	1.0
203.03438	0.4
211.04041	1.2
221.39603	0.4
227.03523	0.9
229.05006	2.2
243.03058	0.6
245.04546	1.9
255.02986	0.9
256.03821	0.3
257.04501	1.3
273.04010	3.0
299.02127	0.7
301.03540	100.0
302.03885	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01406	0.5
71.18554	0.7
73.93951	0.4
77.03986	0.6
79.03640	0.3
79.74792	0.3
83.01385	0.6
93.03476	0.9
97.02961	2.0
99.43210	0.4
109.02945	0.5
121.02982	3.4
137.02461	12.7
139.85289	0.3
151.00372	1.0
157.06645	0.5
165.01950	56.3
166.02263	2.2
173.06111	1.5
174.03123	0.4
177.05507	0.4
183.04533	1.3
185.06047	0.4
186.03247	0.8
189.05362	0.4
201.05574	2.6
203.03419	0.7
205.05002	1.0
211.03966	0.5
214.02737	1.3
217.05019	1.0
227.03581	2.5
228.04224	0.5
229.01521	1.9
229.05028	5.3
230.02197	7.0
231.02901	1.6
239.03503	0.9
242.02052	0.4
243.03011	4.2
244.03766	2.5
245.04494	1.5
255.02995	2.1
257.04523	1.5
258.01669	9.3
259.01956	0.8
271.02515	1.2
272.03293	3.7
273.04028	30.5
274.04474	2.0
283.02515	6.3
284.02686	0.5
301.03540	100.0
302.00699	0.2
302.03876	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	301.0346
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.00751	0.1
59.01388	0.1
63.02400	5.6
64.02719	0.2
65.00326	9.9
66.00653	0.2
67.01908	0.1
67.43722	0.1
68.99812	0.2
72.99314	0.2
79.01875	0.2
80.02667	0.2
81.03471	0.2
83.01395	6.2
84.01733	0.1
90.43810	0.1
91.01914	0.8
93.03465	3.4
95.01398	0.6
98.20683	0.2
107.01405	17.1
108.01647	0.2
108.02210	0.5
108.99324	0.3
109.02969	7.7
110.03323	0.2
111.00879	0.3
115.05511	0.2
119.01424	0.8
119.05021	0.2
121.02974	15.0
122.03329	0.6
123.00903	0.4
124.01664	0.7
125.02448	0.7
129.07095	0.1
131.05058	0.2
133.02966	0.3
135.00919	1.0
135.04547	0.2
136.01678	0.2
137.02458	0.5
139.04033	2.1
143.05055	0.3
143.76428	0.1
145.03000	0.2
145.06570	0.2
146.03741	0.3
147.00926	0.2
147.04575	0.7
148.01750	0.6
149.02466	2.8
151.00389	48.8
152.00708	1.6
153.01930	0.2
155.05042	0.3
156.05807	0.2
157.06586	0.5
158.03764	0.3
159.04524	1.5
161.02477	1.1
161.06104	0.5
163.00397	4.9
163.04004	0.7
164.01181	1.1
165.01976	0.7
167.05052	0.5
169.01457	3.1
169.02863	0.2
170.03700	0.2
171.04509	0.6
172.05220	0.2
173.02478	0.3
173.06114	0.8
174.03209	0.4
175.04030	1.0
177.01910	0.3
177.05634	0.2
178.99873	17.9
180.00201	0.8
182.03772	0.2
183.04547	1.6
184.05174	0.2
185.02457	0.3
185.06110	0.7
186.03194	0.3
187.04002	1.6
188.04559	0.2
189.01981	0.2
189.05574	0.3
190.99934	0.6
192.00606	0.5
193.01407	0.9
195.04547	0.3
196.00177	0.2
198.03223	0.3
199.03990	0.9
200.04663	0.2
201.05586	1.7
203.03568	0.8
205.05042	0.5
211.04028	2.9
212.04652	0.5
213.01929	0.9
213.05388	0.2
214.02675	0.5
215.03418	0.4
216.04147	0.2
217.05020	0.3
221.04544	0.2
227.03516	3.0
228.04105	0.4
229.05046	2.5
229.65184	0.1
230.02132	0.2
230.05438	0.2
231.02908	0.3
239.03513	0.6
240.04240	0.4
242.02316	0.2
243.02943	0.8
244.03548	0.2
245.04538	4.4
246.04819	0.3
255.02974	5.5
256.03610	1.1
257.04626	0.9
258.01700	0.4
259.02509	0.1
266.02097	0.4
271.02457	1.0
272.02911	0.5
273.04019	4.2
274.04260	0.3
283.02463	2.1
284.03143	0.5
299.01913	0.3
300.02563	0.3
301.03528	100.0
302.03879	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	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73063	0.4
58.70876	0.4
59.01345	1.8
62.76292	0.4
63.02379	0.9
65.00304	1.5
66.73420	0.4
71.10474	1.2
83.01388	0.5
93.03456	0.9
97.02962	0.4
107.01394	2.6
109.02933	0.8
109.25690	0.5
121.02969	2.2
139.04001	1.1
143.04993	0.5
145.03004	1.0
149.02455	0.4
151.00394	5.6
159.04524	1.2
161.02448	0.6
163.00374	1.0
165.01938	1.1
165.12798	1.5
171.04512	1.6
178.99875	1.9
182.03790	0.8
183.04568	4.2
183.13927	28.5
184.14262	1.0
185.02530	1.1
185.93788	0.4
186.03264	0.6
187.04056	1.0
189.05559	0.5
199.04030	2.8
209.11887	1.1
211.03970	2.6
212.01256	1.1
214.02740	1.1
227.03473	9.0
227.12891	2.0
228.03810	1.0
235.59021	0.5
235.97566	0.5
239.03523	1.5
242.02170	4.6
243.02963	6.3
244.03200	0.7
245.04526	0.6
255.02983	100.0
256.03326	7.2
257.04575	2.2
258.01816	0.7
271.02426	0.6
272.02802	1.0
273.03741	2.0
283.02490	44.6
284.02850	4.6
301.03546	97.9
301.16751	4.2
302.03897	7.6
311.83676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
67.69292	0.2
68.01433	0.4
71.01398	0.8
71.71093	0.3
75.00898	0.4
78.81760	0.2
80.87607	0.2
88.51581	0.2
88.53042	0.2
93.03475	3.3
94.03803	2.2
95.05042	0.3
98.02489	0.2
104.71181	0.2
108.02184	0.4
108.04612	0.2
109.02518	0.3
111.04552	0.2
112.05013	0.2
122.02489	1.6
122.06133	0.3
123.03291	5.1
137.02480	4.6
137.04855	0.6
138.02812	4.2
138.05629	100.0
139.05972	3.5
151.90881	0.2
152.07173	0.5
153.01508	0.2
162.74323	0.2
165.04349	1.9
167.03511	0.7
168.03854	1.2
172.19856	0.2
176.48297	0.2
180.06706	1.8
207.91003	0.2
211.89297	0.3
271.06076	0.3
300.10864	10.8
301.11182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
63.07430	0.2
68.01412	0.3
71.01395	0.5
71.71719	0.2
72.99323	0.2
85.02918	0.2
93.03474	2.5
94.03798	1.6
96.96001	0.3
119.05152	0.3
120.99678	0.4
122.02489	1.7
122.06136	0.3
122.50938	0.2
123.03289	4.9
136.07706	0.3
137.02490	2.9
137.04849	0.8
138.02831	3.1
138.05632	100.0
139.02989	0.3
139.05983	3.6
142.38223	0.2
152.07251	0.5
165.04338	2.6
180.06682	1.5
300.10895	9.2
301.03604	0.3
301.11319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36515	1.1
57.03443	4.3
58.00597	2.8
59.01380	33.5
60.31867	1.0
66.44315	1.1
69.03424	1.0
71.04992	2.7
71.05338	1.7
72.99313	55.6
75.00878	98.8
76.01253	1.1
79.05531	1.9
80.65405	1.1
81.07140	1.3
83.05031	8.9
85.02972	1.6
95.05024	1.2
97.06612	1.8
103.00387	7.9
108.22115	1.2
125.06097	1.7
133.10226	4.2
143.90659	1.2
157.10239	2.8
159.08138	1.2
161.09694	1.9
173.09749	1.7
175.07666	1.8
175.11299	6.2
177.09238	3.1
205.08838	5.5
207.77835	1.2
219.10248	3.9
225.11295	8.8
237.11325	14.7
238.11723	1.6
255.12373	100.0
256.12668	6.4
269.10254	4.3
281.10300	63.4
282.10654	4.3
299.11310	14.2
299.14047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
52.67904	0.3
58.84251	0.2
59.01385	1.7
62.94849	0.3
65.03971	0.3
71.01392	2.6
71.37920	0.3
71.38258	0.6
73.02953	1.0
75.00890	0.4
83.01398	0.5
85.02968	1.2
89.02448	0.6
93.03468	57.4
94.03810	2.4
100.19044	0.3
101.02448	1.3
112.76838	0.3
113.02454	0.8
117.14059	0.3
119.05048	0.7
122.02512	0.4
123.03260	1.8
127.05117	0.3
134.68329	0.3
137.02464	100.0
138.02808	4.5
138.05627	35.1
141.09192	0.3
145.02925	0.3
145.06206	0.5
161.04530	0.7
165.04373	0.7
167.03490	0.6
177.42511	0.3
180.06717	0.4
198.56050	0.2
220.45218	0.3
299.07745	1.9
299.11725	1.0
299.15790	0.4
300.10858	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	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.57703	0.1
59.01375	0.4
60.24154	0.1
66.80780	0.1
71.01359	0.2
71.30057	0.2
71.30402	0.3
73.02945	0.2
76.18049	0.1
83.83454	0.1
89.92114	0.2
93.03470	4.3
94.03798	0.1
108.02155	0.7
109.02975	0.4
119.02348	0.2
123.04552	0.2
136.01680	2.1
137.02466	100.0
138.02811	4.0
138.05635	1.0
167.03510	0.6
269.07288	0.2
269.62921	0.1
297.82169	0.2
299.07767	10.9
299.11548	0.5
300.08066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
52.98841	0.2
59.01379	0.9
59.82261	0.3
62.03870	0.2
65.03976	0.4
65.63551	0.2
69.22206	0.3
69.78381	0.2
71.01388	0.8
71.05060	0.2
71.05877	0.2
85.02943	0.4
93.03471	90.3
94.03804	3.4
137.02472	100.0
138.02823	4.2
179.03453	0.4
181.37775	0.2
209.62744	0.2
209.93494	0.2
232.99548	0.3
246.45949	0.2
288.11075	0.3
299.07770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01366	0.5
63.02383	1.7
65.00347	1.0
69.77538	2.6
71.15459	0.4
72.99310	1.4
75.00874	1.0
78.88654	0.3
79.95753	0.4
83.01417	1.1
107.01434	2.0
109.02982	1.2
132.02193	0.5
133.02951	2.2
134.03688	0.6
135.00949	0.7
143.05037	1.0
145.02946	0.9
147.04573	0.5
149.02452	0.7
151.00407	3.2
157.02927	0.4
158.03769	0.3
159.04431	0.4
167.99078	0.3
171.04556	1.9
173.02501	0.4
175.04008	1.4
183.04486	1.0
187.04051	1.2
188.04739	0.6
198.03221	0.4
199.02327	0.6
199.04024	5.4
200.04837	0.7
201.01932	1.2
203.03580	0.4
211.03989	0.8
215.03484	1.4
226.02684	0.8
227.03539	4.1
228.04070	0.7
242.02158	0.6
243.03043	2.6
255.02992	2.2
256.03766	27.9
257.04181	2.4
267.12277	0.9
271.02475	25.3
272.02887	1.7
283.02420	0.5
284.03265	100.0
285.03629	7.8
299.02002	32.2
299.05621	79.0
299.14722	2.5
300.02457	4.0
300.05972	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99092	0.4
61.60008	0.4
63.02398	3.9
65.00314	2.3
69.83946	2.4
79.01882	0.6
80.88173	0.4
83.00060	0.4
83.01383	0.7
90.44418	0.4
91.01913	0.4
94.33875	0.4
107.01398	3.0
109.02971	3.1
131.05019	0.6
133.02982	7.0
135.00879	1.3
139.03978	0.5
143.05034	2.8
144.05399	0.4
145.02917	0.8
147.00912	1.0
147.04506	1.1
151.00427	2.0
155.04962	0.9
157.02977	2.1
159.04530	0.8
161.55301	0.4
169.02908	0.7
170.03772	0.4
171.04515	6.0
173.02446	1.8
175.04027	2.8
182.03745	0.5
183.04456	0.8
185.02441	0.5
187.04048	3.1
197.02457	1.7
198.03238	2.5
199.04027	12.5
200.04305	0.6
201.01944	4.4
203.03514	1.1
213.01877	0.9
214.02733	0.8
215.03508	5.0
225.01823	0.5
226.02664	2.7
227.03523	5.9
241.01712	0.4
242.02136	1.6
243.02965	5.7
255.03027	1.4
259.12711	0.4
271.02469	69.6
272.02838	5.4
282.01843	0.5
299.01981	100.0
300.02356	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	299.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19825	0.4
51.53287	0.4
51.80000	0.4
59.64992	0.4
63.02402	3.5
64.36419	0.5
65.00315	1.3
69.61557	1.2
69.61977	2.5
79.83189	0.4
83.01404	0.9
86.61124	0.4
89.00330	0.5
98.20639	0.9
107.01387	2.7
109.02947	3.3
115.05544	0.6
127.05560	0.6
131.05008	0.8
133.02026	0.6
133.02966	6.4
135.00870	1.3
143.05046	3.1
145.02953	1.1
147.00838	1.0
147.04526	0.5
151.00339	1.8
155.05052	1.1
157.02986	2.0
169.01396	0.5
170.03741	0.5
171.04515	5.6
172.04820	0.4
173.02423	1.2
175.04082	3.3
182.03793	0.6
183.04517	0.9
187.04041	4.1
189.05568	0.6
197.02406	1.3
198.03227	1.9
199.04013	11.2
200.04509	0.7
201.01961	4.0
203.03371	1.1
213.01970	0.9
214.02774	0.6
215.03529	4.2
225.01950	0.5
226.02672	2.2
227.03517	5.2
230.04932	0.6
242.02228	1.8
243.02953	5.8
255.03008	1.2
271.02472	72.4
272.02789	6.6
272.29407	0.4
278.72940	0.4
282.01685	0.7
299.01987	100.0
299.11853	1.5
300.02356	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	299.0199
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
52.49230	0.3
54.06091	0.3
57.03419	0.2
59.01348	1.1
61.98808	0.5
63.02399	3.3
65.00317	2.4
70.49934	0.3
70.87007	0.4
70.87344	0.5
72.99284	0.4
79.01878	0.3
81.84489	0.2
83.01372	1.2
88.04023	1.0
89.00306	0.5
91.01888	0.5
95.01383	0.3
107.01400	3.2
108.02171	0.7
109.02958	3.7
115.05514	1.0
119.01363	0.5
121.02957	0.4
123.00987	0.3
125.02458	0.3
131.05013	0.6
133.02036	0.4
133.02974	7.1
135.00856	1.4
137.02432	0.4
139.04005	0.3
143.05049	3.4
145.02995	1.9
147.00887	1.0
147.04521	1.2
148.01657	0.4
148.05019	0.3
151.00383	2.9
154.04202	0.4
155.05017	1.1
155.07162	0.3
157.02975	2.0
159.04507	1.0
161.02419	0.5
161.06123	0.4
163.04004	0.6
169.01457	0.4
169.02928	0.5
170.03700	0.4
170.87869	0.3
171.03079	0.4
171.04526	7.2
172.04871	0.4
173.02464	1.7
175.04019	3.3
176.81590	0.3
182.03725	0.8
183.04483	1.4
183.13950	0.4
185.02396	0.8
187.04030	3.3
188.32793	0.3
189.01981	0.4
189.05562	0.8
191.03552	0.4
197.02556	1.7
198.03235	2.3
199.04015	13.6
200.04329	1.0
201.01949	5.2
201.35980	0.3
202.02527	0.3
203.03525	1.4
211.04118	0.5
213.01836	0.6
214.02692	0.6
215.03508	6.3
225.01967	0.7
226.02754	2.4
227.03500	7.4
227.15421	0.5
228.03987	0.4
229.01416	0.4
230.02196	0.4
231.02904	0.4
242.02345	1.7
243.02971	9.4
244.03369	0.5
253.01215	0.5
254.02298	0.4
255.02989	5.9
271.02457	88.4
272.00134	0.4
272.02826	5.7
282.01563	0.7
299.01981	100.0
299.10968	1.7
300.02600	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	299.0198
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02404	3.6
65.00321	1.9
66.91697	0.5
69.63068	1.4
69.63493	2.7
71.55881	0.5
83.01382	0.8
86.92133	0.5
91.01887	0.6
98.20613	0.7
107.01377	2.5
109.02961	3.9
119.01348	0.7
120.45327	0.5
132.67905	0.5
133.02986	8.3
135.00880	0.9
143.04997	3.0
145.02943	1.7
147.04555	0.9
151.00380	2.4
153.03360	0.5
155.05020	0.9
157.02939	2.1
159.04495	0.7
171.04521	6.6
173.02420	1.4
175.04042	4.0
183.04378	0.7
183.56795	0.5
185.02455	0.7
187.04031	3.9
195.50732	0.6
197.02426	1.5
198.03195	2.2
199.04034	13.1
200.04306	0.7
201.01970	5.2
203.03526	0.9
213.01947	0.9
214.02716	0.7
215.03496	5.8
225.01959	1.0
226.02678	2.5
227.03525	6.7
230.04829	0.7
241.01501	0.8
242.02249	2.1
243.03017	6.2
255.02974	1.0
271.02472	77.6
272.02780	8.0
282.01788	0.9
299.01984	100.0
299.11908	1.9
299.98923	0.6
300.02304	10.7
300.05530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0197
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01363	0.5
59.97995	0.2
63.02391	2.9
64.99992	0.3
65.00323	4.7
69.08852	0.2
71.48553	0.4
71.48926	0.3
79.01903	0.4
81.65441	0.2
83.01384	2.4
89.00329	0.3
91.01896	0.8
91.14135	0.2
91.93186	0.2
95.01376	0.5
95.50864	0.2
96.96001	0.3
97.06648	0.3
101.04000	1.2
105.03462	0.3
107.01399	5.6
108.21662	0.2
109.02948	2.1
115.05540	1.0
117.03432	0.9
119.01392	1.0
119.04999	0.3
123.00925	0.3
127.05559	0.5
127.30000	0.2
129.03453	0.4
131.05026	0.8
133.02968	4.1
135.00873	0.9
139.05539	0.4
141.03499	0.4
141.09196	0.2
143.01373	0.3
143.05032	3.9
145.02969	2.2
145.06612	0.4
147.00887	1.0
147.04510	1.2
148.01660	0.5
149.02464	0.4
150.99159	0.5
151.00392	8.8
152.00980	0.3
154.04272	0.5
155.05052	2.5
157.02979	2.6
159.04550	1.6
161.02478	1.3
163.00381	0.3
167.05020	0.5
169.01515	0.4
169.02948	0.8
170.03728	0.3
171.04535	6.9
173.02496	1.4
175.04018	2.6
182.03706	1.0
183.04518	4.4
184.04785	0.4
185.02431	1.6
187.00386	0.4
187.04021	3.5
188.04367	0.4
189.05577	0.5
197.02449	0.9
198.03181	1.6
199.04005	14.1
200.04332	0.9
201.01915	3.0
203.03563	1.3
209.02711	0.2
210.08604	0.4
211.04002	0.7
213.01880	0.9
214.02628	0.5
215.03516	6.4
225.01939	0.4
226.02704	1.5
227.03487	8.8
228.03833	0.4
229.01494	0.5
242.02150	1.5
242.62946	0.2
243.02969	17.2
244.03328	1.0
254.02222	0.3
255.02972	8.7
255.12303	0.7
256.03394	0.5
271.02454	64.1
272.02795	4.9
282.01575	0.5
298.01233	0.2
299.01968	100.0
300.02466	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	297.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
69.83589	1.5
69.84008	0.6
77.49590	0.3
85.02957	0.4
85.06598	0.6
87.04514	0.7
90.18909	0.3
99.04514	0.6
101.59757	0.3
109.02987	1.0
111.00903	0.7
111.04533	29.2
112.04891	0.7
118.59438	0.3
118.60622	0.3
123.04533	0.7
126.85334	0.3
135.04478	0.5
137.09747	1.9
139.00400	0.9
139.04039	6.5
139.05106	0.4
139.07648	0.3
151.00439	0.7
151.04007	0.4
157.08720	2.9
165.05566	1.0
166.06386	1.0
175.07622	0.5
176.04083	0.3
177.99794	0.3
179.07140	1.5
193.08734	1.3
194.05847	2.5
195.06656	0.9
198.05324	1.1
208.07449	0.8
209.08200	65.8
210.08521	3.5
212.06914	0.4
221.08199	2.4
268.29990	0.3
279.12393	7.6
280.12772	0.8
292.94827	0.3
297.13434	100.0
298.13773	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	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01388	0.3
61.83600	0.4
66.04688	0.3
68.56168	0.4
71.38435	0.6
79.95306	0.3
85.02940	0.5
85.06586	0.6
99.04542	0.4
109.02998	0.6
111.00910	1.0
111.04534	28.9
112.04884	1.0
136.04060	0.5
137.09717	2.0
139.00404	0.6
139.04045	6.6
151.00388	1.1
157.08730	2.6
165.05594	1.0
166.06352	1.2
176.46048	0.4
179.07164	1.0
193.08752	1.5
194.05858	1.9
195.06642	0.7
198.05298	0.9
198.87407	0.3
200.62523	0.3
208.07515	0.7
209.08205	61.6
210.08517	3.7
220.91327	0.3
221.08191	2.1
226.27773	0.3
279.09348	0.6
279.12375	8.1
280.12604	0.7
283.76193	0.4
297.13446	100.0
298.13779	7.3
314.23810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Nortopsentin D
Peak:m/z	Relative Intensity
52.08528	0.4
63.73677	0.4
63.94080	0.5
65.06989	0.4
69.40043	1.4
69.40462	3.6
79.01914	1.2
93.03455	0.8
101.03994	1.8
117.03488	2.1
117.78974	0.4
121.02987	1.2
135.97720	0.4
145.02971	13.3
146.03320	0.7
156.05800	1.0
171.04564	2.3
172.05339	2.3
183.04579	0.7
199.04018	7.5
200.04802	38.5
201.05104	1.9
227.03438	0.5
228.04295	36.5
229.04704	2.4
232.03778	38.6
233.04179	2.1
259.19421	0.4
297.11328	100.0
298.11667	10.5
298.15048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03452	0.5
59.01378	2.5
65.05109	0.2
69.57049	2.4
70.02879	0.2
71.01385	0.5
77.52283	0.2
78.39980	0.2
83.05003	0.4
85.35902	0.2
97.06606	0.3
113.09739	2.3
114.10011	0.2
127.15308	0.2
133.01427	0.5
179.14415	1.0
181.12418	0.5
195.13910	17.4
196.14224	1.4
236.08812	0.2
259.20770	0.3
266.42029	0.2
277.21722	16.4
278.22134	1.7
291.89740	0.3
294.14380	0.3
294.71555	0.3
295.22784	100.0
296.23132	11.9
296.26599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91363	0.3
59.01379	100.0
60.01719	1.1
61.23760	0.4
71.01407	1.3
71.20059	1.0
73.02959	0.5
85.02986	0.7
88.02232	0.3
89.02441	0.4
93.03466	0.6
93.04547	0.4
96.96043	0.7
101.02470	1.8
113.02473	0.8
115.00340	0.4
121.02971	25.2
122.03316	0.8
125.74559	0.4
133.01514	0.6
134.02519	1.3
139.19588	0.4
161.04639	0.7
173.04596	0.7
220.41972	0.4
235.11873	4.2
295.08286	1.0
295.11871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01386	10.2
71.01379	1.8
71.63757	0.7
72.04044	0.5
110.08759	0.5
115.00370	1.3
125.06177	0.6
133.01450	2.5
161.04527	0.7
251.23834	4.8
252.24184	0.7
265.21646	1.4
277.21786	2.8
278.22037	0.7
293.21252	0.7
295.02368	0.6
295.15540	1.9
295.22791	100.0
296.23129	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.10118	0.6
58.00579	2.7
59.01382	83.9
59.21754	0.7
60.01696	0.8
70.13544	3.7
71.01390	38.2
71.05013	0.8
72.99311	2.3
73.02955	1.7
83.01406	2.1
85.02959	8.1
87.00889	1.6
88.66573	0.7
89.02457	43.9
90.02784	1.1
95.01383	1.8
99.00864	0.6
101.02456	24.7
113.02472	15.1
119.03526	19.5
131.03497	1.0
133.05070	1.0
143.03537	2.0
149.04607	0.9
161.04607	1.6
179.05620	2.3
246.52950	0.8
295.10358	100.0
296.10648	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	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03445	1.0
58.00339	0.4
58.00594	2.3
59.01380	66.5
67.52664	0.4
69.01621	0.4
69.03468	0.5
69.46156	4.4
71.01388	32.9
71.05029	1.1
72.01737	0.5
72.99310	2.8
73.02955	2.0
74.21307	0.5
75.00890	5.0
83.01397	2.5
85.02962	7.5
87.00893	1.8
87.04527	2.0
88.98812	0.7
89.02455	33.9
95.01412	3.1
97.03010	0.7
98.19769	0.5
99.00903	1.2
101.02455	21.4
103.00391	0.7
112.98839	0.7
113.02464	11.9
114.02872	0.5
115.00385	0.7
115.04032	6.0
119.02660	0.8
119.03516	15.4
120.99674	1.0
125.02549	0.5
131.03488	1.1
133.01436	0.5
133.05083	8.7
135.16745	0.4
143.03531	1.8
145.05070	0.6
149.04591	1.0
161.04541	2.2
179.05615	1.6
235.08293	1.2
237.06140	2.1
295.10349	100.0
295.74936	0.5
296.10693	7.5
300.35596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41645	0.5
57.03453	6.2
59.01381	2.4
79.59021	0.4
83.05038	0.6
85.06597	6.7
95.05021	0.4
96.13569	0.4
97.06635	0.5
98.72836	0.4
109.06651	0.7
110.89932	0.4
113.09743	18.2
113.32133	0.4
114.10072	0.7
121.10236	0.9
123.08190	0.8
123.87028	0.5
125.09753	0.8
137.02478	1.1
139.11328	2.3
141.09256	0.5
149.09802	0.8
153.05592	0.6
165.09245	0.7
167.10768	1.7
171.10277	2.2
177.12843	0.9
179.10811	1.7
185.11827	1.1
195.13914	2.4
207.10222	0.9
236.10614	0.4
249.22208	1.7
275.12842	1.6
275.20169	3.6
293.14236	14.3
293.17877	4.2
293.21210	100.0
294.14270	1.5
294.18161	1.0
294.21518	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04697	0.9
55.01874	1.4
57.03456	1.0
58.00587	2.9
59.01379	69.3
60.01716	1.5
69.95063	4.0
71.01389	38.0
71.30855	0.7
72.99315	2.7
73.02953	1.5
75.00884	2.7
81.22993	0.8
83.01412	2.2
85.02953	8.7
87.00887	1.8
89.02450	39.6
95.01431	2.2
96.91606	0.7
97.44702	0.7
101.02457	20.5
103.00387	0.9
108.23679	0.8
113.02466	13.9
115.00400	2.4
115.04041	2.0
116.68240	0.7
119.03519	19.8
119.04312	1.6
120.99676	1.2
129.81714	0.8
131.03572	1.1
133.05052	2.9
134.88638	0.8
143.03494	1.9
161.04590	1.2
179.05681	2.1
189.05864	0.8
207.06865	0.9
237.06114	1.3
295.10391	100.0
296.10770	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	293.2121
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01889	0.7
57.03444	3.7
59.01374	1.9
69.46626	4.6
71.01389	0.7
71.05018	1.4
75.80650	0.4
76.37997	0.4
81.03469	0.6
85.06603	0.5
86.61258	0.4
87.04536	1.1
95.28893	0.5
96.95983	0.6
99.08157	5.6
101.06088	1.1
107.42904	0.4
109.02993	0.8
113.02482	0.6
118.95358	0.5
123.08208	0.7
125.02493	0.5
125.06112	1.3
126.63086	0.5
135.84131	0.4
137.02464	6.4
138.03252	1.7
139.04071	1.1
153.05586	2.0
179.14418	0.7
181.05051	0.6
181.15997	0.6
191.14471	0.5
193.16104	0.7
205.12305	0.6
220.14767	1.1
221.15419	2.3
223.13403	0.5
224.06873	4.6
225.14980	1.3
236.10567	1.0
249.22148	1.3
257.11819	0.8
275.12875	9.9
275.20181	1.4
276.13300	0.8
281.68781	0.5
293.13980	77.5
293.21191	100.0
294.14261	7.9
294.21518	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
69.82227	4.4
86.40888	0.5
111.08166	1.0
132.49765	0.6
149.80087	0.6
183.32361	0.8
195.13945	10.6
196.14510	1.7
198.48679	0.6
205.15932	0.9
211.13458	0.7
223.13390	11.1
224.06882	0.8
224.13860	0.7
228.13664	1.0
231.21208	0.7
246.67189	0.6
256.13226	4.5
275.20172	7.0
276.20462	1.4
280.38577	0.6
293.14319	4.7
293.21225	100.0
294.21552	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.90087	1.0
57.03441	1.6
59.01376	3.9
69.56179	8.6
78.26780	0.9
87.76112	0.9
97.93449	1.0
98.20615	1.2
116.49630	1.0
121.10251	35.2
125.09670	1.0
146.82722	0.9
171.10283	64.6
172.10602	2.5
177.16376	1.2
183.10254	2.7
183.13875	4.6
185.11850	3.7
211.13521	1.4
224.06937	3.0
228.61661	1.2
231.21124	5.6
232.21507	1.2
232.67854	1.1
235.16820	1.1
243.20677	1.0
245.85085	0.9
275.12997	2.7
275.20154	100.0
276.20520	9.2
284.41940	0.9
293.14032	19.0
293.21207	72.8
294.14218	2.7
294.21527	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	293.1397
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01874	1.3
57.03444	1.5
59.01373	2.0
64.48106	0.3
68.99830	0.3
69.03462	0.3
71.01376	1.3
71.71753	0.3
71.72166	0.4
73.02943	0.8
79.95736	1.5
80.01406	0.3
81.03454	0.5
83.01398	0.9
85.02957	2.8
85.06602	0.7
89.02464	0.9
95.95242	35.0
96.96029	0.9
97.02972	0.6
99.04533	0.5
111.04584	0.4
113.02450	0.4
121.02976	1.0
122.03760	7.8
123.04572	0.5
124.05288	1.7
125.02511	1.6
125.06105	6.7
135.04488	0.4
137.02527	0.4
137.09706	0.5
139.07689	0.4
147.08342	0.4
149.02441	0.4
150.03244	34.1
151.03647	1.5
153.01950	0.4
154.02710	0.9
161.09666	0.5
165.05611	0.4
175.04044	0.4
175.07500	0.3
179.07106	1.2
193.08691	1.2
193.12335	0.9
207.06627	0.6
207.10350	1.2
223.09711	0.6
226.08536	0.5
235.09775	1.6
251.12866	0.5
252.06731	0.6
254.43701	0.3
257.11841	0.5
270.00464	0.4
275.12885	19.3
276.13150	1.1
293.13947	100.0
294.06561	2.8
294.14285	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1396
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01862	0.3
57.03442	1.9
58.78873	0.3
59.01384	2.3
69.59615	2.1
71.01381	1.7
73.02956	0.8
81.03475	0.5
83.05012	0.3
85.02963	3.5
89.02471	1.1
90.30055	0.3
95.44557	0.3
96.96016	0.4
98.95618	0.8
99.04550	0.4
99.08143	0.3
101.02470	0.4
108.02148	0.3
108.13232	0.3
113.02410	0.4
121.02971	1.2
121.06581	0.4
122.03758	8.8
123.04520	0.4
124.01679	0.3
124.05296	2.1
125.02480	2.2
125.06098	2.6
133.02954	0.5
134.03767	2.1
135.04546	0.9
136.01723	0.6
137.02454	0.9
139.04004	0.8
147.09695	0.3
149.02486	0.5
150.03244	37.1
151.03546	1.4
154.02721	1.1
165.05627	0.5
167.03543	1.5
177.02020	0.3
178.02730	1.0
179.03511	0.6
179.07117	0.7
186.01904	0.3
193.08717	0.7
193.12363	1.1
221.15370	0.3
222.08922	0.8
223.09706	1.5
233.11734	0.4
235.09741	0.4
265.14410	0.4
275.12881	22.5
276.13260	1.7
293.13931	100.0
294.14249	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	293.1397
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
54.18235	0.2
55.01873	0.5
57.03438	0.9
64.79513	0.2
68.99815	0.5
69.97614	0.9
69.98036	0.6
70.03360	0.3
71.01379	0.6
71.05002	0.3
71.36074	0.2
73.02940	0.6
79.01917	0.4
81.07114	0.5
81.36801	0.2
85.02955	1.5
97.02975	0.6
99.04561	0.3
101.06101	0.7
104.81873	0.2
109.02986	0.6
119.08698	0.5
122.03771	1.3
123.04528	2.2
124.01665	0.3
124.05359	0.5
125.02493	1.2
125.06102	33.0
126.06432	1.0
129.07112	0.5
135.04575	0.3
136.01686	0.3
137.02501	0.9
137.09741	0.3
139.07645	0.5
147.08151	0.5
149.02458	0.4
149.06187	0.3
150.03261	4.1
151.00381	0.7
151.04027	1.1
154.02762	0.4
165.05602	1.7
179.03531	0.4
179.07167	3.4
180.07790	0.5
189.09221	0.4
193.08698	4.7
203.14459	0.4
205.08676	0.4
207.06720	1.2
207.10295	4.4
208.07318	0.4
209.08154	1.5
212.06953	0.4
213.13004	0.3
222.08952	2.5
223.09737	0.6
226.08409	2.2
227.08945	0.3
235.09767	8.1
236.10074	0.6
263.09299	0.7
265.14490	0.5
275.12918	2.9
293.13940	100.0
294.14301	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	293.1395
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
57.03436	0.4
68.99825	0.7
70.19911	0.6
70.20328	0.9
79.01924	0.4
79.05522	0.4
81.03482	1.1
95.05020	0.5
97.02965	0.6
99.04530	0.9
101.06081	0.6
105.03499	0.4
107.05060	0.3
109.02969	0.9
109.06638	0.4
112.77177	0.3
117.07069	0.3
123.04535	2.7
125.02483	0.9
125.06100	41.7
126.06432	1.1
129.07104	0.6
134.03755	0.8
137.02469	0.5
139.04025	0.6
139.07631	0.5
149.02527	0.3
149.06079	0.3
150.03255	1.0
151.00412	0.9
151.04004	1.2
151.87437	0.3
152.04753	0.4
161.89383	0.3
163.11359	0.3
165.05621	1.9
167.03539	5.6
168.03830	0.3
176.04564	0.3
179.07156	5.2
180.07829	0.3
189.05557	0.3
189.09219	0.8
192.07965	0.3
193.08678	5.2
194.09077	0.5
198.87013	0.3
203.14406	0.5
207.06676	1.6
207.10260	4.4
208.07347	0.7
209.08224	1.9
212.06946	0.7
221.04599	0.5
221.08147	0.3
222.08978	2.8
223.09749	0.6
226.08463	1.9
235.09747	9.9
236.10091	0.6
261.11447	0.5
263.09244	0.9
275.12888	1.0
293.13937	100.0
294.14304	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1391
Annotation	Pyrethrosine
Peak:m/z	Relative Intensity
55.01873	0.7
57.03449	2.4
59.01347	0.3
61.98804	0.2
69.03437	0.1
71.01379	0.1
71.04995	0.3
71.71912	0.1
75.88722	0.1
83.05005	0.1
85.02944	0.1
85.06587	0.1
87.00880	0.1
87.04489	0.2
93.62759	0.1
95.04979	0.1
96.95991	0.2
97.06599	0.2
101.06087	0.2
105.07108	0.2
107.05006	0.2
109.02949	0.7
109.06554	0.1
111.04516	0.2
113.02455	0.6
117.39700	0.1
119.08611	0.1
121.06584	0.2
123.04530	0.3
123.08167	0.6
125.02457	0.1
125.06096	0.3
133.02896	0.1
135.08124	0.1
137.02464	9.6
137.06059	0.3
137.09724	0.2
138.03285	2.3
139.04059	1.1
143.08662	0.2
149.06084	0.1
150.03239	0.3
151.04001	0.2
152.04793	0.4
153.05600	1.8
154.05969	0.1
159.08197	0.2
161.09750	0.6
165.05638	0.4
173.09680	0.2
179.10742	0.3
181.05035	0.1
182.02217	0.1
186.06909	0.2
187.07671	0.2
189.09128	0.1
191.10759	0.1
193.04985	0.1
194.12347	0.1
199.07564	0.1
203.07219	0.1
205.08659	0.3
205.54501	0.1
207.06502	0.1
213.12747	0.1
217.08717	0.3
220.14517	0.2
221.15456	0.3
223.09724	0.3
224.06912	0.9
229.12257	0.2
235.09827	0.1
236.10460	0.2
247.13493	0.1
249.22169	0.2
257.11838	1.7
258.12140	0.2
265.14340	0.2
275.12885	15.5
276.13196	1.3
293.13950	100.0
294.14291	9.1
305.93774	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01377	2.6
68.03825	0.3
68.99828	0.5
69.03454	0.5
69.78175	2.5
83.01397	0.4
85.02960	2.3
85.06599	8.2
87.04510	2.2
94.13076	0.4
95.01381	0.5
95.05032	2.6
96.02159	0.4
97.02913	0.4
98.03716	0.3
108.02164	0.6
108.17219	0.3
109.02953	0.7
109.06617	0.6
111.00919	1.8
111.04538	5.8
111.08183	1.1
113.02455	1.3
113.06100	1.2
118.97907	0.4
119.08685	0.4
121.06608	1.4
122.03719	0.5
123.00938	0.4
123.04491	0.4
125.09763	0.9
127.07624	0.4
130.33994	0.4
135.00874	0.5
135.08183	0.6
136.05276	0.6
137.02457	1.6
137.06096	1.0
137.09729	0.8
139.07663	2.1
145.06599	0.6
147.04538	0.4
150.03226	0.4
151.07681	0.4
153.09152	0.4
155.07153	1.3
161.06102	0.4
161.09738	1.0
162.06750	0.6
163.04068	1.0
163.06409	0.6
163.07672	5.0
164.04834	0.5
164.08128	0.5
165.05580	2.0
171.21465	0.3
177.01955	2.1
177.09215	1.4
178.06328	0.8
179.07111	1.0
179.10826	0.5
180.07899	1.1
181.05078	6.7
181.08691	3.6
183.06650	14.1
184.06972	0.9
189.05612	0.6
189.12859	0.5
191.07123	0.7
192.07924	0.4
193.05202	0.4
195.13992	0.5
204.08006	0.7
205.08720	0.8
205.12341	1.0
206.05617	0.5
206.09462	1.4
207.06602	1.0
209.04561	3.3
215.10773	0.6
220.07454	1.9
223.06033	1.6
224.06903	5.0
225.07179	0.4
231.06633	3.3
231.13916	2.3
232.07419	0.4
232.10973	0.8
233.11815	10.0
234.12396	1.4
235.06061	1.5
235.09682	0.4
247.13493	1.5
249.11299	0.5
249.14908	1.9
250.08604	0.6
251.12852	0.7
257.11926	0.6
259.09723	0.7
260.10510	0.6
275.12888	21.8
276.13205	2.6
278.11557	1.6
293.13947	100.0
294.14288	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	293.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99712	0.4
60.84014	0.4
65.51465	0.5
69.82133	2.8
85.06549	0.5
116.27893	0.4
118.52796	0.4
125.02477	1.1
137.02454	0.6
150.06856	0.6
153.01958	3.0
154.02759	2.3
178.06407	0.8
180.00641	2.0
181.01434	2.1
181.05054	1.1
182.02225	10.7
195.06615	0.6
206.05902	0.6
207.06622	0.9
209.04594	0.8
223.06184	0.8
224.06902	100.0
225.07240	6.4
240.69063	0.5
244.36308	0.4
273.54691	0.6
275.12875	1.6
293.13968	20.1
294.14240	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	293.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99219	0.1
55.01626	0.1
55.01864	0.8
55.02090	0.1
57.03447	2.6
58.90711	0.1
59.01379	0.5
59.35052	0.1
61.98846	0.1
69.03452	0.1
71.05022	0.2
71.72832	0.1
73.02955	0.1
80.62907	0.1
80.63427	0.1
81.03465	0.1
83.05048	0.2
85.02959	0.3
85.06593	0.2
87.00845	0.1
91.05633	0.1
94.76764	0.1
95.04987	0.2
96.96004	0.1
97.06615	0.4
107.05021	0.2
109.02967	1.6
109.06601	0.2
110.03789	0.1
111.04536	0.1
111.08154	0.1
112.98578	0.1
113.02455	1.3
121.06602	0.4
122.03714	0.1
123.04550	0.7
123.08176	1.5
124.01653	0.2
125.02498	0.4
125.06093	0.9
133.10280	0.1
135.08163	0.1
137.02455	5.4
137.06091	0.8
137.09756	0.2
138.03249	6.5
139.04039	2.9
140.04375	0.1
142.02753	0.5
143.08621	0.1
149.09779	0.1
150.03229	0.3
151.04008	0.2
151.07639	0.1
151.11200	0.1
152.04802	1.3
153.05592	6.2
154.05931	0.2
156.04321	0.2
161.09721	0.3
163.07684	0.2
165.05595	1.0
167.10745	0.4
173.09727	0.1
175.07582	0.2
175.11317	0.1
177.09271	0.1
179.10808	0.3
181.08636	0.1
184.03664	0.1
191.10776	0.1
193.05075	0.3
193.08649	0.1
193.10349	0.1
194.09491	0.1
204.07886	0.1
205.08707	0.4
205.12447	0.1
209.11819	0.1
217.08627	0.2
220.14799	0.1
221.15463	0.2
223.09737	0.6
224.06908	0.4
224.09958	0.1
231.14459	0.1
233.11836	0.1
235.09700	0.4
236.10460	0.2
249.14783	0.1
257.11871	0.7
263.08917	0.1
265.14545	0.1
275.12869	5.7
276.13217	0.5
278.11621	0.1
293.13928	100.0
294.14267	8.3
294.21265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03445	0.9
58.00582	1.9
59.01381	33.5
60.01702	0.5
69.74556	3.9
71.01389	18.0
71.71800	0.4
72.99315	1.5
73.02943	1.6
75.71416	0.4
76.73911	0.5
83.01402	1.3
85.02985	3.7
85.06077	0.7
85.06601	14.4
87.00880	1.1
89.02452	18.5
90.02766	0.5
92.93630	0.4
95.01393	1.4
101.01780	0.6
101.02456	12.9
103.30688	0.5
113.02474	7.7
113.06095	2.9
115.07644	1.3
119.03516	7.1
122.50153	0.4
127.07650	1.6
131.07162	59.2
132.07504	2.1
143.03484	0.8
161.04567	0.7
173.08160	1.3
179.05600	1.3
293.12424	100.0
294.12766	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03436	1.4
58.00589	4.0
59.01381	98.9
60.01696	1.2
60.82348	0.8
71.01385	48.8
72.99314	3.2
73.02951	1.4
83.01397	3.0
85.02957	8.7
85.06593	1.5
87.00871	1.7
89.02457	54.1
95.01405	3.4
95.67097	0.9
99.00876	0.9
101.02457	33.6
113.02461	19.8
113.06142	5.3
119.03522	25.1
119.04152	0.5
129.42378	0.9
131.03548	1.7
131.07161	7.2
143.03491	2.5
149.04593	1.6
161.08032	0.8
163.07613	1.6
179.05583	1.2
181.75148	0.8
207.57182	0.9
228.84811	1.0
232.13390	2.3
293.12415	100.0
294.12772	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23825	0.3
59.01374	0.8
70.73691	0.5
70.74062	0.6
95.05048	0.3
97.06603	0.4
98.16331	0.3
118.52551	0.3
119.05025	0.6
125.06094	0.9
126.36184	0.3
148.08957	1.4
149.09764	0.4
150.10483	0.9
163.11284	1.3
165.12869	20.5
166.13240	1.6
175.11314	0.6
176.12062	0.8
177.12894	0.6
191.14426	0.8
245.19029	0.3
247.20667	11.7
248.20920	1.3
273.18607	5.6
274.18973	0.6
291.19647	100.0
292.20001	11.5
292.22620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.25552	1.1
55.01864	1.6
57.03422	2.0
58.00592	5.5
59.01381	79.1
60.77177	1.1
69.03457	7.5
71.01387	89.2
71.72513	1.1
72.99309	4.9
73.02950	22.8
73.86967	1.3
75.00887	1.9
79.95712	1.8
80.08194	1.3
81.03467	7.5
83.01393	6.8
85.02962	11.6
87.00899	2.9
89.02455	100.0
90.02790	1.8
95.01387	4.2
95.42028	1.2
96.96011	2.6
97.02970	15.1
99.00895	24.2
99.04511	2.8
101.02457	29.1
109.02946	1.2
113.02462	7.2
115.04043	9.9
119.03511	1.5
122.03770	1.2
125.02466	46.6
125.06091	20.4
126.02782	2.2
131.03526	9.0
137.02460	3.4
143.03516	5.9
149.04599	9.7
149.05615	1.7
161.04610	3.1
179.07158	2.1
191.05626	8.2
193.08711	2.5
196.03780	4.7
207.10338	2.9
221.15556	1.9
222.08983	2.0
233.06653	16.2
235.09738	4.1
236.10455	1.5
293.09055	8.3
293.13943	59.8
294.14230	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03439	1.8
59.01379	2.9
63.28811	0.4
69.82632	2.3
71.01354	0.5
71.05017	0.6
76.97126	0.5
79.77249	0.4
83.05032	0.8
94.82031	0.4
95.05021	1.3
106.04259	0.4
109.06550	0.6
111.08170	11.6
121.06583	0.5
123.08134	0.4
137.09718	1.5
167.10800	2.0
177.12791	2.2
179.10732	1.9
195.13922	8.4
196.14291	0.7
247.20679	2.6
273.18625	1.3
283.48627	0.4
291.19647	100.0
292.20004	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	291.1601
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
58.29924	0.9
59.01374	1.8
61.98827	1.2
71.05024	3.3
71.72977	1.0
71.73409	1.2
79.01919	0.7
96.84295	0.8
97.02958	1.1
99.08181	2.9
111.04548	2.1
115.92124	1.2
116.08809	0.7
119.05037	1.7
121.03009	1.0
121.06658	0.8
123.08153	2.0
125.06121	2.5
137.02432	1.2
137.09665	1.0
138.03273	1.3
139.56241	0.9
142.71393	0.8
151.04018	1.0
152.04811	1.8
163.04068	1.0
165.01901	1.9
166.02731	12.1
179.03499	3.1
179.10797	1.6
180.04279	7.1
195.06660	1.2
207.06631	2.7
207.10316	3.1
221.08220	3.7
222.08995	42.2
223.09373	3.0
233.08224	2.5
235.64728	0.8
245.15553	1.1
247.17029	9.3
291.12451	5.4
291.16046	100.0
291.19604	11.4
291.23135	5.8
292.13171	1.1
292.16333	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	291.1086
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01886	6.1
57.03445	5.5
58.00586	4.9
59.01379	100.0
67.05522	7.4
69.41721	4.5
69.42149	9.1
71.01385	77.2
72.99287	3.6
73.02940	17.7
73.90717	1.1
74.58103	1.1
80.97778	1.1
83.01401	10.4
85.02957	28.3
87.00890	3.6
89.02453	61.7
95.01394	5.7
97.03014	2.0
99.00912	6.6
101.02456	72.0
111.00868	1.6
111.04510	3.1
113.02459	32.2
119.03522	22.9
119.05022	3.8
129.01996	1.4
129.05605	1.4
131.03493	3.1
143.03453	3.3
149.04594	1.8
159.03003	3.7
161.04585	15.1
163.04001	1.6
169.29782	1.2
179.05690	3.4
247.11862	21.1
248.12230	1.7
291.10852	43.1
292.11227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14455	0.7
61.98832	100.0
70.35337	4.0
74.86855	0.8
84.12347	0.8
137.02376	0.9
227.12859	1.1
275.61594	1.0
290.07635	1.5
290.17789	0.9
291.12305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2174
Annotation	(Z)-5-(trideca-4-enyl)resorcinol
Peak:m/z	Relative Intensity
55.01879	1.5
56.05048	0.2
56.27655	0.2
57.03450	6.2
59.01386	0.5
59.74770	0.2
66.27911	0.1
69.03472	0.7
70.04023	0.7
71.05026	4.5
72.05344	0.2
83.05040	0.8
95.05030	0.3
97.06633	0.2
107.05039	0.3
109.02956	0.4
109.06645	0.3
111.08192	0.3
121.06611	0.5
123.08182	3.1
125.09739	0.8
126.34155	0.2
126.51421	0.2
133.06616	0.4
133.10258	0.7
135.08185	0.8
137.09744	2.5
139.11316	0.4
141.09268	0.3
147.08186	0.8
149.09778	1.0
151.11307	32.6
152.11638	1.9
161.09737	0.3
163.11290	1.3
165.12794	0.3
177.12881	0.2
191.10757	1.1
193.35373	0.2
195.10237	0.2
203.14395	0.9
204.14725	0.2
219.14027	0.4
219.17545	13.5
220.17905	1.2
221.15472	6.7
222.15857	0.7
231.17546	0.6
233.15506	0.6
245.08025	0.2
247.20642	0.2
271.20618	1.5
289.21725	100.0
290.22079	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	289.2174
Annotation	(Z)-5-(trideca-4-enyl)resorcinol
Peak:m/z	Relative Intensity
54.23352	0.1
55.01883	2.1
57.03450	6.8
58.03797	0.1
67.05560	0.2
69.03460	0.8
69.36866	0.7
69.37292	0.7
71.05024	4.9
72.05350	0.1
72.61677	0.1
81.03461	0.1
83.05038	0.9
85.06602	0.2
95.46783	0.1
97.06604	0.3
105.07050	0.1
107.05044	0.2
109.02982	0.2
109.06627	0.2
111.08188	0.4
119.08658	0.2
121.06612	0.9
121.50337	0.1
123.04589	0.2
123.08184	2.7
125.02486	0.2
125.09738	0.7
127.14796	0.1
133.06619	0.4
133.10262	0.7
135.08186	0.9
137.09743	2.9
138.10118	0.2
139.11324	0.5
141.09267	0.2
144.48344	0.1
147.08202	0.9
149.09795	0.7
151.11314	33.9
152.11656	1.9
157.02765	0.1
161.09688	0.4
163.11337	1.6
165.12871	0.3
174.44637	0.1
175.11296	0.2
177.12877	0.2
179.14528	0.2
191.10846	1.2
195.10193	0.2
203.07150	0.2
203.14444	1.0
204.14647	0.1
215.14409	0.3
217.16022	0.5
219.13995	0.5
219.17552	14.0
220.17923	1.1
220.35127	0.1
221.15491	7.9
222.15822	0.6
231.17555	0.4
233.15485	0.7
247.20450	0.1
271.20667	2.2
272.20892	0.2
289.07422	0.7
289.21729	100.0
290.22073	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	289.1446
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
55.01872	2.2
57.03450	2.9
59.01374	1.5
60.07635	0.4
61.09551	0.4
65.93779	0.4
71.05018	2.4
79.05537	1.1
83.05030	0.4
87.00861	0.6
87.04491	0.6
95.01438	0.4
107.05032	0.5
109.02225	0.5
109.02973	9.4
111.04536	4.8
115.05570	1.0
118.41024	0.3
121.02983	1.9
121.06524	0.4
122.03751	10.1
123.04105	0.5
123.08157	0.7
124.01684	6.2
125.02431	0.8
133.06619	0.6
135.08214	0.7
136.01669	3.2
137.02475	18.8
137.09726	1.5
138.03281	7.5
139.04024	2.9
142.02705	1.4
147.08217	0.4
149.02461	3.9
149.06129	3.5
149.09697	0.6
150.03250	21.9
151.03740	1.2
151.10088	0.7
151.11313	13.6
152.11647	0.8
154.02760	1.9
163.04022	1.6
163.11316	0.7
164.08437	1.2
165.01959	6.6
166.02747	20.1
167.03540	6.6
175.11249	0.3
177.01979	1.1
177.05598	21.5
178.02750	1.1
178.06032	1.7
180.04314	2.8
190.02873	0.5
191.07224	1.2
191.10779	0.9
192.07961	9.6
193.08261	0.7
196.07510	0.9
201.05579	1.9
202.06306	0.7
203.14516	0.6
205.05058	1.8
219.06630	1.0
219.17528	5.2
220.07423	45.3
220.17836	0.6
221.07779	4.0
221.15506	2.3
244.86081	0.5
245.15417	1.7
261.14951	26.6
262.15179	2.2
262.40170	0.4
266.90060	0.3
271.13403	1.6
271.20804	0.8
289.14471	100.0
289.21671	44.1
290.14813	11.3
290.22009	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	289.0717
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
57.03450	1.8
58.29568	0.4
69.03457	0.5
69.36217	3.8
73.94015	0.4
81.03445	2.0
83.01381	2.1
93.03477	0.8
95.05006	1.7
97.02970	4.2
98.20641	0.8
98.83900	0.4
103.28703	0.5
108.02193	0.9
109.02971	15.9
121.02949	1.5
122.03751	1.0
123.04542	12.4
125.02467	11.9
125.03141	0.2
135.04601	0.9
137.02463	6.8
138.03207	0.4
138.88438	0.4
139.04027	2.4
145.02971	0.9
146.03738	0.7
147.04555	0.6
149.02434	2.3
150.03152	0.6
151.04028	6.4
159.04509	2.1
160.05319	1.1
161.02420	1.1
161.06102	2.7
162.03270	0.9
163.04024	0.4
164.01173	1.9
165.01965	3.2
167.03496	1.5
173.06125	0.7
175.04016	1.0
175.07640	1.4
179.03508	5.6
180.03986	0.4
185.06023	0.6
187.04037	2.8
188.04805	2.3
201.05486	0.6
202.06291	1.0
203.07137	7.4
205.05075	6.5
206.05467	0.7
221.08182	2.3
227.07140	1.5
240.88976	0.4
245.08182	25.8
246.08496	1.9
247.06169	1.1
271.06061	0.6
289.07172	100.0
290.07544	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.1
59.01382	0.5
65.47442	0.4
69.03449	0.9
69.72883	3.4
69.73202	0.6
80.02686	1.1
81.03477	4.3
83.01393	4.5
85.52916	0.5
91.01884	0.5
92.68821	0.4
93.03453	1.7
93.10520	0.5
95.01394	0.5
95.05038	6.2
97.02960	9.0
107.05112	0.4
108.02199	1.1
109.02969	35.6
110.03286	1.4
121.02965	4.6
122.03742	1.5
122.20959	0.5
123.04543	24.0
124.04867	1.0
125.02465	21.9
126.02805	0.5
128.89101	0.5
133.02980	0.7
135.04533	2.1
137.02457	11.6
138.03215	1.7
139.04039	5.3
145.03000	1.8
146.03735	1.8
149.02473	6.0
150.03200	1.1
151.04037	11.7
157.06570	0.6
159.04564	3.9
160.05319	2.0
161.02446	1.0
161.06123	6.2
162.03226	1.8
163.03989	1.8
164.01147	3.8
165.01932	5.2
166.02594	0.5
167.03500	2.4
173.06078	0.8
175.04037	2.6
175.07649	2.5
177.05536	0.9
179.03531	7.0
185.06055	1.7
187.04015	5.6
188.04788	5.8
199.07660	0.9
201.05542	0.7
202.06320	1.8
203.07149	15.0
203.09081	0.7
204.07455	1.1
205.05067	9.7
212.04778	1.1
215.92453	0.5
217.08710	0.8
221.08189	4.7
227.07147	2.5
230.05760	0.9
231.02942	0.8
245.08192	27.4
246.08440	2.8
247.06219	1.3
271.06070	1.2
289.07184	100.0
290.07495	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03432	2.9
69.03459	0.9
70.08210	3.7
81.03462	3.4
83.01406	4.0
93.03471	3.5
95.01411	1.4
95.05035	5.4
96.96032	1.2
97.02966	10.1
108.02200	1.6
109.02973	37.5
110.03300	1.4
121.02985	4.4
122.03735	2.5
123.04548	26.1
125.02464	24.5
126.02791	0.9
135.04532	2.8
137.02467	15.3
138.03268	0.9
139.04030	5.3
145.02960	2.0
146.03714	1.1
149.02454	7.0
150.03214	2.0
151.04031	14.5
152.04332	0.8
159.04521	4.2
160.05280	2.7
161.02464	1.2
161.06125	8.2
162.03235	3.3
163.04004	2.0
164.01195	3.6
165.01944	5.4
166.02612	0.9
167.03532	2.9
173.06033	1.1
174.03200	0.8
175.04005	3.2
175.07649	2.6
177.05612	1.1
179.03522	10.6
180.03949	0.8
187.04050	6.4
188.04814	5.6
199.07697	0.8
201.05608	0.8
202.06342	3.0
203.07158	18.9
204.07466	1.3
205.05070	11.6
208.19551	0.7
212.04831	1.0
212.35936	0.8
217.08653	0.9
221.08206	5.6
227.07143	3.0
230.05806	2.1
245.08189	31.7
246.08540	2.3
247.06212	1.4
271.06174	1.2
289.07187	100.0
290.07556	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	289.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47464	0.2
52.50708	0.2
54.62339	0.2
57.03414	0.2
59.01346	0.2
69.69389	0.6
69.69813	1.1
73.97477	0.2
76.07011	0.2
78.02186	0.2
83.01357	0.4
83.71689	0.2
89.40024	0.2
90.26263	0.2
97.02926	0.3
98.20698	0.3
100.12847	0.2
108.02178	0.2
109.02962	1.1
123.04438	0.7
124.01669	0.3
125.02395	0.7
130.04251	0.4
137.02394	0.6
139.32300	0.2
140.14792	0.2
145.02882	0.3
146.03740	0.5
149.02455	0.4
150.03226	0.4
151.00307	0.2
151.04028	0.3
161.02425	0.5
162.03296	0.3
165.01807	0.2
174.03265	1.3
174.73933	0.2
177.01881	0.5
178.99841	0.4
179.03522	0.5
189.01949	3.3
190.02641	0.9
201.01956	0.8
202.02637	0.3
203.07137	0.5
205.04980	0.4
217.01447	2.4
218.02194	1.1
228.89165	0.2
229.01466	0.6
230.02094	1.2
243.02853	0.4
245.01006	1.1
245.08138	0.8
246.01689	12.6
247.02011	1.0
257.00894	0.7
270.99710	0.2
271.02325	1.3
273.00275	0.4
274.01175	100.0
275.01505	6.6
289.03546	70.4
290.03897	5.9
290.07266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05986	0.3
52.16056	0.3
59.01349	0.8
69.41360	4.0
70.40772	0.3
70.58794	0.3
71.01350	0.5
77.40762	0.3
82.88115	0.4
97.02927	0.6
103.90957	0.4
107.01324	0.4
109.02969	2.3
121.02969	0.6
123.04482	1.6
125.02444	0.9
133.02930	0.6
135.00903	1.9
137.02441	0.4
143.04967	0.7
144.51579	0.4
145.02904	0.6
151.00378	0.5
151.04004	0.6
155.05014	1.4
157.02992	0.7
161.02498	0.7
171.04517	1.3
173.02463	0.4
174.03217	1.1
175.04074	2.2
175.07697	0.3
179.03510	0.5
187.04027	0.8
189.01913	1.5
190.02583	0.6
199.04070	4.7
201.01939	1.6
203.07111	1.0
205.05061	0.6
215.03519	1.4
217.01370	1.5
218.02171	1.0
221.08101	0.5
227.03519	1.1
229.01448	0.9
230.02216	0.6
243.02986	33.6
244.03311	2.5
245.00859	0.9
245.08194	1.4
246.01695	5.9
247.01971	0.5
257.01059	0.6
259.02420	1.6
266.10269	0.4
271.02478	100.0
272.02829	7.5
273.00278	0.4
274.01193	56.8
275.01483	3.6
289.03558	99.9
290.03912	8.7
290.07257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
71.01373	0.8
71.70942	0.2
71.71371	0.4
75.93782	0.3
77.29470	0.2
78.95910	8.2
78.96368	0.4
81.03427	0.3
83.05058	0.4
85.02960	7.7
87.00887	2.7
89.19947	0.3
90.97132	0.4
93.03461	3.0
96.96026	12.2
96.96977	17.2
97.38572	0.2
99.04536	0.6
101.02497	0.3
109.02992	0.7
111.04533	1.1
127.04028	2.3
130.88889	0.3
132.98242	0.5
138.97997	0.6
142.96658	5.1
146.86775	0.4
146.95204	0.3
154.90627	0.7
160.97711	3.4
170.88344	0.4
171.02951	0.5
172.96803	0.5
173.04597	0.8
174.99216	1.5
175.96416	0.5
184.97699	8.1
191.05629	100.0
192.05959	4.9
199.00223	1.6
201.00827	0.3
202.98767	11.1
226.98735	1.1
229.01381	0.3
244.99829	0.5
246.84903	1.1
246.97679	0.4
250.99916	2.4
252.99742	0.9
288.85349	0.3
288.94614	0.5
288.97476	0.4
289.03079	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	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03445	0.2
59.01369	0.5
64.72428	0.2
66.77965	0.2
70.05865	0.8
80.02662	0.2
85.57937	0.2
97.06600	0.2
98.19943	0.2
99.08170	1.9
99.55983	0.2
108.02237	0.2
125.02496	0.2
129.09232	0.7
132.02162	0.2
141.12880	1.7
155.14413	0.6
160.01663	0.3
199.03932	0.2
206.43987	0.2
211.20596	0.2
216.00659	0.3
223.20609	0.2
241.21632	0.8
243.02980	0.3
244.00049	0.5
245.68549	0.2
247.99661	0.5
259.02390	0.2
269.21234	2.9
271.99283	0.2
285.20740	1.4
287.01965	1.8
287.05634	0.6
287.22272	100.0
288.02423	0.3
288.22626	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03452	2.4
59.01381	100.0
59.38485	0.6
60.01711	0.8
60.99298	1.0
65.00358	0.8
65.54989	0.6
69.58446	6.0
80.65376	0.6
83.01414	1.3
93.03474	0.7
97.06652	0.8
99.04547	1.8
101.01572	0.6
105.07126	0.9
109.02946	1.3
109.06594	0.6
125.02470	8.9
135.04488	0.6
137.02484	1.9
137.41437	0.7
149.02524	1.4
151.00423	2.6
152.01205	0.9
161.02489	1.0
165.01982	0.8
165.12848	1.9
167.10835	1.0
169.12337	1.3
175.04099	0.8
177.05696	0.8
178.99876	0.8
201.09251	1.4
207.13908	2.5
209.09953	1.0
209.11819	6.3
225.15015	6.1
227.12904	50.9
228.13229	3.9
230.05960	0.7
243.02948	1.9
251.12852	1.8
257.04517	1.2
259.02469	1.2
259.06079	5.5
269.04562	1.9
269.07938	1.2
269.13947	14.8
270.14206	1.6
287.02026	4.0
287.05667	8.4
287.09329	10.1
287.15012	100.0
288.02579	0.9
288.05853	1.2
288.15366	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	287.1289
Annotation	Zuurbergenin
Peak:m/z	Relative Intensity
55.01875	0.9
57.83400	0.7
59.01375	3.1
70.36320	3.1
78.83804	0.6
79.05539	1.0
81.03445	1.5
89.05731	0.7
98.20505	1.0
100.13252	0.7
103.05556	4.2
109.02978	1.3
121.02957	1.8
122.03736	2.1
124.01670	0.8
136.01671	3.8
137.02454	4.0
138.03297	1.0
145.06601	2.0
147.04564	1.4
149.02466	1.2
150.03253	5.2
157.41446	0.8
159.04486	1.0
161.06123	2.7
162.06908	8.7
164.01205	1.5
165.02028	0.9
166.02728	3.2
167.03607	0.9
173.06029	1.2
174.06863	1.3
175.04034	23.8
176.04381	1.4
178.02759	1.8
189.05583	15.2
190.06389	55.4
191.06779	2.6
194.05922	7.1
216.61713	0.7
217.05162	1.6
218.03703	1.5
218.05858	28.2
219.06293	1.3
229.08994	0.8
241.12389	1.9
259.13367	30.4
260.13681	2.6
269.11792	5.2
287.12900	100.0
288.13275	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.40205	1.9
57.03445	12.0
58.92261	2.3
65.00304	2.6
67.01897	2.7
69.03456	5.0
77.03956	2.5
83.01391	20.3
93.03460	13.0
95.01365	3.2
95.05016	3.6
97.02953	2.2
107.05057	3.4
108.02144	5.2
109.02964	39.7
121.02981	33.8
123.04557	4.1
124.01687	12.9
125.02464	77.1
126.02795	2.7
130.04303	3.0
131.05026	3.4
133.02963	4.0
135.04529	12.9
137.02464	100.0
137.03513	5.1
139.04041	2.6
145.06602	4.2
147.04538	8.1
148.05336	3.1
149.02461	47.3
149.06067	6.8
149.10904	2.1
150.03273	11.1
151.04028	16.6
155.05043	2.6
158.03783	5.4
159.04544	18.7
161.02469	26.7
162.03197	3.5
163.03975	4.6
164.01149	12.3
165.01961	30.2
166.02588	2.3
171.04614	4.6
172.05290	8.0
173.06064	21.6
174.03220	9.0
175.04036	45.1
175.25928	2.2
176.04723	6.2
177.01955	13.4
177.05615	12.9
182.03792	3.2
183.04483	5.3
185.05930	2.4
189.05588	9.2
191.07111	7.4
196.05344	2.5
197.06096	4.6
199.03958	6.5
200.04716	4.2
201.01860	4.2
201.05586	43.0
202.05966	2.9
203.03485	14.5
204.04225	2.9
215.03389	2.8
215.07143	8.4
216.07504	2.9
217.05014	12.3
219.06592	21.6
225.05513	6.4
227.03508	2.8
227.10724	2.4
241.05023	6.7
243.02911	7.1
243.06592	20.5
244.03677	2.6
245.04582	8.9
258.05252	5.0
259.06076	49.9
260.06473	5.1
269.04538	12.8
287.05609	94.1
288.05884	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	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40205	1.9
57.03445	12.0
58.92261	2.3
65.00304	2.6
67.01897	2.7
69.03456	5.0
77.03956	2.5
83.01391	20.3
93.03460	13.0
95.01365	3.2
95.05016	3.6
97.02953	2.2
107.05057	3.4
108.02144	5.2
109.02964	39.7
121.02981	33.8
123.04557	4.1
124.01687	12.9
125.02464	77.1
126.02795	2.7
130.04303	3.0
131.05026	3.4
133.02963	4.0
135.04529	12.9
137.02464	100.0
137.03513	5.1
139.04041	2.6
145.06602	4.2
147.04538	8.1
148.05336	3.1
149.02461	47.3
149.06067	6.8
149.10904	2.1
150.03273	11.1
151.04028	16.6
155.05043	2.6
158.03783	5.4
159.04544	18.7
161.02469	26.7
162.03197	3.5
163.03975	4.6
164.01149	12.3
165.01961	30.2
166.02588	2.3
171.04614	4.6
172.05290	8.0
173.06064	21.6
174.03220	9.0
175.04036	45.1
175.25928	2.2
176.04723	6.2
177.01955	13.4
177.05615	12.9
182.03792	3.2
183.04483	5.3
185.05930	2.4
189.05588	9.2
191.07111	7.4
196.05344	2.5
197.06096	4.6
199.03958	6.5
200.04716	4.2
201.01860	4.2
201.05586	43.0
202.05966	2.9
203.03485	14.5
204.04225	2.9
215.03389	2.8
215.07143	8.4
216.07504	2.9
217.05014	12.3
219.06592	21.6
225.05513	6.4
227.03508	2.8
227.10724	2.4
241.05023	6.7
243.02911	7.1
243.06592	20.5
244.03677	2.6
245.04582	8.9
258.05252	5.0
259.06076	49.9
260.06473	5.1
269.04538	12.8
287.05609	94.1
288.05884	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	287.0562
Annotation	2,7-Dihydroxy-1,8-dimethoxyxanthone
Peak:m/z	Relative Intensity
53.34503	0.3
54.53585	0.3
54.93536	0.5
59.01392	1.1
62.37039	0.3
69.92163	0.7
69.92572	1.4
98.19955	0.4
125.02511	0.4
131.93721	0.3
141.13744	0.4
173.02577	0.8
201.01955	4.8
229.01419	36.4
230.01790	2.1
232.80937	0.4
243.03091	2.0
244.03529	0.4
257.00919	100.0
258.01251	6.6
271.02466	1.9
272.03256	19.9
273.03525	1.5
287.05615	56.3
287.22296	0.4
288.05972	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	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16521	0.2
59.01398	0.4
64.12173	0.2
65.00354	0.4
68.99853	0.4
69.97478	1.7
83.01410	0.5
93.03487	0.3
95.01416	0.5
107.08303	0.3
109.03014	1.0
117.03547	0.3
119.05033	5.2
121.03034	1.1
125.02471	2.2
135.04558	0.6
137.02457	2.3
139.05597	0.3
143.05013	0.6
147.04568	0.3
149.02510	0.7
150.03210	0.4
155.05103	1.0
157.06636	0.5
158.03856	0.4
159.04564	1.3
161.02484	0.8
165.01962	1.5
169.06631	1.1
171.04570	0.7
172.05345	0.3
173.06099	1.0
175.04070	0.9
177.05693	0.4
181.06633	1.6
182.03752	0.5
183.04546	2.2
185.02467	0.5
186.03290	0.7
189.05605	0.3
195.04565	0.6
197.06114	3.3
198.03284	0.9
199.04008	1.1
201.05597	1.8
202.05843	0.3
203.03545	0.5
209.02693	0.4
210.03261	0.7
213.05623	1.2
214.02715	1.7
215.07166	0.3
217.05107	0.3
219.06619	0.3
224.04639	0.3
225.05621	1.9
226.02760	0.4
227.03513	17.7
228.03952	1.5
229.01620	0.5
229.04886	0.4
240.04480	0.3
241.05064	3.0
242.02211	14.3
243.02827	3.1
243.06628	0.5
251.03372	1.2
255.02843	0.4
256.03748	1.1
257.00763	0.3
257.01450	0.3
257.04544	5.9
258.05017	0.8
259.03033	0.3
259.06052	1.5
267.02902	0.4
269.04541	76.1
270.04889	5.9
285.03851	0.3
287.05603	100.0
288.05957	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	287.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22316	0.1
59.01380	0.2
67.01882	1.1
69.03483	0.2
71.71969	0.2
83.01412	0.2
84.24216	0.1
89.03970	1.0
93.03468	1.3
97.02982	0.2
104.02682	0.2
107.01437	0.4
108.02177	0.3
109.02996	0.5
115.05547	0.2
121.02972	0.7
124.01759	0.2
125.02467	1.2
131.05084	0.3
132.02190	0.3
133.03009	0.5
135.00897	0.9
135.04510	0.2
137.02480	1.2
141.07106	0.2
143.05034	0.3
145.03015	0.2
147.04597	0.2
149.02489	0.4
149.06039	0.1
150.03224	0.2
157.06624	0.4
159.04559	0.3
160.01668	0.4
161.02449	0.3
165.01952	0.5
167.05067	0.4
169.06641	1.2
169.12367	0.2
170.07007	0.1
171.04549	0.2
172.05322	0.2
173.02455	0.3
173.06071	0.3
175.04013	0.9
176.04523	0.1
177.05557	0.3
180.05870	0.3
181.06616	0.5
182.03766	0.4
183.04477	0.4
184.05298	0.3
185.02472	0.2
185.06110	1.2
195.04564	0.3
196.05232	0.5
197.06100	1.0
198.03247	0.9
199.03835	0.2
201.01965	1.5
201.05537	0.7
203.03545	0.2
210.03177	0.2
211.04048	0.3
212.04797	0.4
213.05579	5.0
214.05881	0.2
215.03665	0.2
215.07170	0.2
216.00801	0.3
219.06558	0.2
224.04855	0.5
225.05585	8.7
226.05850	0.8
227.03407	0.3
228.04228	0.8
229.01326	0.1
229.04988	0.1
241.05069	0.4
243.02974	0.4
243.06483	0.3
244.00182	0.6
245.00386	0.2
247.99648	0.6
255.03067	1.1
256.03708	1.0
257.04550	23.1
258.04883	1.7
259.02527	0.2
259.06079	0.7
269.04538	58.3
270.04880	4.8
271.99765	0.2
285.04028	1.7
287.05600	100.0
288.02692	1.2
288.05899	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	287.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74199	0.3
57.03428	0.5
59.01380	10.3
63.02402	0.3
65.00318	0.6
70.46237	0.5
74.99081	1.2
83.01406	0.3
91.37682	0.3
93.03458	0.7
97.02950	0.3
101.48676	0.3
107.01392	1.2
109.02953	0.6
117.03467	1.1
119.05041	0.4
125.02489	1.4
129.03461	0.3
130.32370	0.3
131.05022	0.6
133.02956	0.6
135.00935	0.4
135.04562	4.2
136.99130	0.9
143.05058	5.6
144.05385	0.4
147.04530	0.6
151.00385	3.3
154.04253	0.5
155.05025	1.3
161.02512	0.4
161.06085	0.4
171.04539	4.4
173.02460	0.8
175.04033	1.0
185.02306	0.3
198.03220	1.7
199.04027	13.4
200.04329	0.9
201.01924	2.9
203.03403	0.3
209.11870	0.8
213.02055	0.3
215.03485	0.8
225.15022	0.5
226.51414	0.3
227.12889	5.3
241.01419	0.9
243.02975	100.0
244.00702	0.3
244.03299	8.5
244.09712	1.6
259.02328	0.3
269.00925	6.3
269.04395	0.9
269.13937	2.1
270.01312	0.7
287.01981	46.2
287.05402	2.4
287.14984	10.6
288.02298	4.3
288.15247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15437	0.3
59.01394	0.7
62.73325	0.4
63.08007	0.3
69.54370	2.0
69.54780	0.8
71.01392	0.3
89.03976	1.9
93.03491	1.3
95.01443	0.4
98.19830	0.5
107.01376	0.5
109.02987	0.8
121.02962	0.7
124.01727	0.4
125.02485	2.4
133.03000	1.0
135.00922	1.2
136.20686	0.3
137.02484	1.4
143.05101	0.3
147.04596	0.3
149.02545	0.4
157.06642	0.8
159.04558	0.4
161.02452	1.0
165.01939	1.0
169.06642	0.7
171.04539	0.7
175.04015	0.8
180.05783	0.4
182.03572	0.3
183.04558	0.3
184.05232	0.4
185.02493	0.3
185.06122	0.9
187.03993	0.4
189.05550	0.7
195.04456	0.3
197.06139	0.5
198.03278	1.1
199.04044	0.8
201.01933	2.1
201.05571	1.7
207.06671	0.4
211.03998	0.4
213.05603	5.6
214.06027	0.5
215.07095	0.4
219.06628	0.4
220.33615	0.3
224.04767	0.3
225.05597	3.7
229.01437	0.8
243.02946	2.0
243.06644	0.7
256.03790	0.8
257.01218	1.0
257.04550	34.0
258.04926	3.0
259.06015	0.8
269.04544	53.3
270.04855	4.6
272.03210	2.5
285.04010	3.1
286.04300	0.4
287.05609	100.0
288.02701	1.7
288.05893	8.8
288.09189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31787	0.4
54.76624	0.4
59.01375	1.3
61.98833	100.0
66.81330	0.4
78.59329	0.4
94.80177	0.4
98.20657	1.0
123.08099	0.5
139.04044	0.9
179.10855	1.9
223.09752	9.0
223.11792	0.6
224.10133	0.7
229.72784	0.4
244.00249	0.6
286.04547	0.6
287.02078	1.6
287.05615	1.1
287.16644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
54.08979	0.2
57.03434	0.6
58.60658	0.2
59.01377	0.4
62.14727	0.2
62.84322	0.3
63.55487	0.2
69.89423	1.6
139.41603	0.2
155.97462	0.2
221.19125	0.6
223.20662	59.6
224.20988	4.2
241.21703	1.6
267.19623	33.4
268.19955	2.7
285.20691	100.0
286.21024	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	285.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53154	0.5
59.01378	13.5
62.10272	0.5
69.79935	0.5
71.22927	0.5
77.69044	0.5
87.41416	0.6
94.39696	0.5
107.68712	0.4
116.70126	0.5
119.05048	59.2
120.05396	2.5
120.99673	100.0
122.00011	1.4
163.04031	9.1
225.16087	1.8
251.47992	0.5
284.26825	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1344
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
57.03431	1.3
58.00582	1.5
59.01364	1.6
60.99283	0.5
62.97879	0.5
69.03452	1.2
69.99373	2.7
71.05017	0.7
72.99313	34.2
73.63921	0.5
75.00879	61.0
76.01213	0.6
84.89793	0.4
87.04510	1.6
92.35229	0.5
97.06625	0.6
102.59787	0.5
109.06579	0.6
111.10814	0.5
165.12862	3.9
179.14432	1.6
195.69435	0.5
209.11862	5.8
223.13391	1.6
241.14415	6.5
248.59669	0.5
248.68602	0.5
252.04285	0.5
254.24814	0.5
267.12344	9.9
268.12518	0.7
285.04086	2.1
285.13425	100.0
286.13815	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	285.0405
Annotation	Isoscutellarein
Peak:m/z	Relative Intensity
56.65131	0.1
59.01375	0.1
64.08134	0.1
65.00370	0.2
69.50700	1.5
81.75859	0.1
95.01430	0.2
107.05045	1.1
120.12316	0.2
131.05080	0.2
133.02992	0.2
143.04968	0.3
145.03012	0.2
154.04312	0.2
157.06573	0.4
158.03751	0.7
161.02541	0.3
169.06631	0.4
170.03783	0.5
171.04558	0.3
172.01704	1.0
174.03247	0.3
185.02580	0.3
185.06042	0.9
186.03224	1.8
187.04024	0.3
195.04572	0.2
198.03290	1.0
200.01205	0.3
211.04065	0.2
211.13403	0.2
212.04753	0.2
213.02007	0.2
213.05586	2.1
214.02734	6.3
214.05907	0.3
215.03281	0.6
223.04074	0.4
227.03500	0.9
228.04314	0.8
229.05051	1.1
240.04250	0.2
241.05089	1.2
242.02206	59.7
243.02538	4.3
255.02962	0.8
256.03729	3.4
257.04544	18.0
258.04877	1.7
267.03018	1.3
278.96689	0.2
284.26740	0.6
285.04037	100.0
286.04382	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02395	0.8
65.00330	2.4
81.03421	0.2
83.01391	1.5
85.70847	0.2
98.19865	0.7
99.88856	0.2
105.03471	0.4
107.01406	5.0
121.02978	1.0
132.02168	0.2
133.02972	26.8
134.03307	1.2
143.05022	0.5
149.02457	3.6
150.02740	0.2
151.00400	8.6
152.00734	0.3
157.06557	0.2
169.01497	0.2
171.04562	0.7
173.02379	0.2
173.06082	0.2
174.03217	0.2
175.04022	5.0
176.04468	0.3
185.06076	0.5
187.04025	0.4
189.05595	0.4
197.06113	0.5
197.25258	0.2
198.03215	0.7
199.04036	3.8
200.04326	0.3
201.01965	1.7
211.03947	0.3
213.05556	0.9
215.03534	0.7
217.05075	2.4
223.04033	0.4
229.01318	0.2
230.18416	0.2
239.03476	0.3
240.04247	0.3
241.05072	1.2
242.02278	0.3
243.02989	1.0
257.04623	0.6
267.03055	0.4
284.26901	0.2
285.04044	100.0
286.04382	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0401
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.79335	0.1
57.03452	0.2
59.01378	0.1
63.02403	1.5
65.00326	4.4
66.00620	0.1
68.73361	0.1
72.99334	0.1
74.72347	0.1
83.01391	2.6
93.03451	0.2
95.01385	0.6
105.03480	0.6
107.01406	5.9
108.01692	0.2
108.99364	0.1
109.02972	0.5
112.36341	0.1
115.05553	0.3
117.03481	0.2
119.05058	0.3
121.02971	0.9
123.00900	0.2
123.04578	0.1
125.02452	0.9
127.05525	0.1
129.03543	0.1
129.07150	0.1
130.04182	0.1
131.05038	0.3
132.02216	0.6
133.02974	15.9
134.03258	0.6
135.00919	0.3
135.04543	5.4
136.04883	0.2
139.04059	0.3
141.07124	0.2
143.05048	1.5
145.02991	0.6
145.06616	0.2
146.03705	0.4
147.04546	1.8
148.01691	0.2
148.04910	0.1
149.02470	2.1
151.00391	9.4
151.03960	0.2
152.00703	0.3
154.04245	0.1
155.05031	0.5
157.03012	0.4
157.06554	0.5
158.03712	0.2
159.04510	0.5
160.01764	0.2
161.02448	0.7
161.06053	0.5
162.03032	0.1
163.00395	0.3
163.04051	0.4
164.01201	0.1
167.05099	0.6
169.01486	0.2
169.02888	0.2
169.06589	0.5
170.03786	0.4
171.04547	2.4
172.04938	0.2
173.02440	0.7
173.06056	0.6
174.03253	1.7
175.04022	12.1
176.01186	0.6
176.04344	0.8
177.01944	1.0
182.03783	0.3
183.04539	0.4
184.05348	0.2
185.06107	2.3
186.03111	0.1
186.06384	0.2
187.04010	1.1
188.04614	0.1
189.01962	0.1
189.05562	1.3
195.04517	0.7
196.05280	0.4
197.02408	0.2
197.06056	1.1
198.03227	1.1
198.06285	0.1
199.04019	9.5
200.04362	0.8
201.00037	0.2
201.01952	3.1
201.05585	0.4
202.02324	0.1
211.03972	1.2
212.04756	0.9
213.05548	2.4
214.02715	0.4
214.05916	0.2
215.03513	1.5
216.04100	0.2
217.05058	4.4
218.05424	0.4
223.03990	0.4
224.04753	0.2
226.02725	0.2
227.03450	0.4
228.04227	0.2
229.05069	1.8
239.03474	0.9
240.04205	0.6
241.05060	4.8
242.02199	0.5
242.05365	0.4
243.02960	1.3
255.03003	0.2
256.03735	0.6
257.04550	3.2
258.04932	0.2
267.02994	0.8
268.03680	0.3
283.02515	0.2
284.03207	0.3
284.26727	0.2
285.04037	100.0
286.04379	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	283.1188
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
53.42076	0.5
56.78693	0.6
56.99794	0.8
57.03452	5.3
58.00574	0.8
59.01377	10.3
70.43405	2.4
72.99313	64.7
73.99632	0.7
75.00878	48.5
75.74809	0.6
76.01203	1.0
82.45075	0.6
83.05032	3.4
83.57877	0.7
85.02925	0.7
87.04533	3.8
98.20576	0.6
99.04514	0.6
101.99477	0.6
103.00361	1.1
107.05018	0.8
107.08677	0.9
107.69763	0.5
109.06631	0.7
161.09697	1.3
163.11272	2.0
175.11319	0.9
177.12788	1.2
207.10233	4.1
221.11877	0.9
239.12885	100.0
240.13210	8.1
265.10767	2.4
283.11887	45.1
283.26422	30.8
284.12277	2.6
284.26743	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	283.1189
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
52.96325	0.6
57.03447	4.7
58.00599	1.0
59.01374	8.6
71.01382	0.6
71.71125	1.2
72.99312	63.8
73.83264	0.6
73.99639	1.4
75.00878	47.5
75.02833	0.6
76.01238	0.6
83.05043	3.5
85.02962	0.9
87.00886	0.6
87.04531	4.2
103.00394	1.2
109.06592	0.9
161.09773	1.2
163.11308	1.6
167.23671	0.6
175.11472	0.5
177.12849	0.9
207.10240	3.3
221.11871	1.3
229.67821	0.6
239.12885	100.0
240.13220	8.9
255.03078	0.6
265.10855	2.3
283.11871	45.7
283.26419	13.7
283.29367	0.9
284.12161	4.8
284.26828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09238	0.5
54.33104	0.6
55.46455	0.5
55.83918	0.5
56.99849	0.6
57.03452	6.1
58.00606	0.7
59.01098	0.5
59.01381	9.2
71.01389	0.6
72.99316	68.4
73.99654	0.7
75.00880	48.1
83.05038	3.1
87.00883	1.1
87.04521	4.5
98.20644	1.3
99.76315	0.6
103.00366	1.3
107.08638	0.6
151.32028	0.6
152.69209	0.5
160.26666	0.6
161.09721	1.2
162.71881	0.5
163.07680	0.7
163.11275	2.0
171.22246	0.6
175.11281	1.3
177.12817	1.2
185.09651	0.5
189.09279	0.6
207.10289	4.8
221.11777	0.7
239.12900	100.0
240.13242	9.4
265.10843	2.8
279.71191	0.6
283.11890	42.5
283.26419	10.6
284.12183	4.7
284.26959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67900	0.6
56.99818	0.6
57.03455	5.2
58.00569	1.0
59.01134	0.7
59.01376	9.4
59.74211	0.7
59.98493	0.9
65.89027	0.7
66.90822	0.9
69.03418	0.6
70.72748	0.6
71.71500	1.2
72.99313	74.1
75.00879	51.2
83.05031	4.5
87.04527	3.8
103.00372	1.2
103.55452	0.7
107.08680	0.8
123.23135	0.6
133.06654	1.2
145.10260	0.8
161.09740	1.4
163.11342	2.1
175.11316	0.8
177.12813	0.9
189.09244	0.8
207.10262	4.5
209.11816	1.1
216.57808	0.6
221.11646	0.9
239.12892	100.0
240.13268	6.7
265.10828	2.2
283.02719	1.2
283.11884	43.7
283.26410	33.9
284.12271	4.3
284.26801	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1397
Annotation	3beta,10beta-Epoxy-1alpha,3beta-dihydroxy-4Z-germacren-12,6alpha-olide
Peak:m/z	Relative Intensity
56.71023	0.7
57.03449	49.2
59.01377	11.6
61.98831	1.0
63.57667	0.7
69.03493	2.2
69.64162	5.2
71.01395	3.4
71.05003	3.0
72.02186	0.8
73.02996	2.2
83.05040	3.8
85.02956	24.4
87.04523	10.7
93.03468	0.8
96.96020	15.5
97.03027	1.1
98.03750	13.5
98.04295	1.0
99.04535	4.8
107.08708	1.8
109.06624	1.6
111.04581	1.9
112.05365	1.9
116.66683	0.7
121.06618	0.7
123.08157	3.1
133.10258	1.5
137.02518	1.0
137.09798	0.9
147.08212	3.4
149.09740	32.4
150.10101	2.0
161.09784	2.3
163.11320	1.1
167.10823	2.4
175.53745	0.6
191.14459	0.9
193.12386	1.6
195.13777	0.7
201.12891	3.2
201.14903	1.4
202.05083	1.0
209.08183	1.2
209.15508	2.7
219.13913	10.3
220.14166	0.8
237.14963	100.0
238.15327	9.7
281.10666	8.6
281.13916	90.1
281.24844	1.9
282.14252	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	282.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86922	0.7
55.82762	0.8
59.01374	1.4
71.00187	1.9
71.00519	0.8
72.99308	3.7
75.00874	2.3
76.62332	0.9
79.95742	24.1
79.96186	1.5
80.96523	11.8
89.47480	0.8
96.52286	0.8
96.96019	13.1
102.98608	0.8
128.05101	1.3
130.06664	6.5
132.52373	0.7
147.74561	0.7
156.04533	1.6
158.06110	2.6
174.05659	3.8
202.05115	100.0
203.05453	6.1
210.02318	21.0
225.33778	0.7
238.01759	1.1
239.12885	5.4
282.00793	47.7
283.01163	2.9
283.11844	2.7
283.26456	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87067	0.5
65.00315	1.3
71.01386	20.4
71.37975	1.1
80.54408	0.6
89.84024	0.6
91.01906	9.3
91.61208	0.6
100.05996	0.6
104.17853	0.6
108.02190	5.6
111.00890	0.9
115.00388	9.5
119.13351	0.6
123.04541	33.5
124.01707	0.7
124.04881	1.5
152.01170	8.2
167.03516	100.0
168.03844	4.8
189.39174	0.6
232.27820	0.6
283.26410	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61522	1.0
56.74144	1.0
57.03446	16.1
59.01084	1.7
59.01378	27.3
59.05049	1.0
60.99287	1.1
66.67270	1.0
68.43948	1.0
69.03457	2.8
69.47281	10.5
72.99314	80.3
75.00877	13.5
79.05541	2.5
81.03477	1.3
83.05032	63.2
84.17778	0.9
87.04540	2.3
91.05576	0.9
98.20691	1.9
99.04532	1.0
103.00387	7.3
105.07086	1.3
107.05054	1.1
107.08709	1.7
109.06602	1.4
123.08194	2.0
129.07098	1.3
133.10225	3.5
143.08640	1.7
145.06697	1.2
145.10236	2.3
146.07394	1.2
149.06149	2.3
157.10210	2.3
159.08188	1.8
161.09737	3.8
163.11314	21.4
164.11507	1.3
165.12856	1.7
175.11314	12.3
177.09163	5.9
205.08705	7.6
207.10291	5.8
219.10309	3.8
237.11337	5.3
281.10303	100.0
281.24435	1.1
282.10684	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	281.1032
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
52.09517	0.1
55.01886	0.2
57.03450	1.1
58.00574	0.2
59.01381	3.7
61.98843	0.1
65.00311	0.9
65.03960	0.2
67.01899	0.5
68.99831	0.2
69.03454	1.7
69.07049	0.1
71.01390	1.1
71.05042	0.6
71.71931	0.2
72.64500	0.1
72.99313	0.2
73.02969	0.3
79.01904	0.2
79.05557	0.3
80.02683	0.2
81.03464	5.0
82.03785	0.1
83.01382	2.2
83.05031	0.7
85.02947	0.8
93.03471	2.1
95.01399	4.3
95.05037	3.2
96.96040	0.2
97.02959	9.1
97.06608	0.3
98.03313	0.3
99.04551	0.2
99.08171	3.3
101.06097	2.4
105.07096	0.2
107.01400	0.5
107.05054	1.1
108.02204	0.3
109.02962	2.6
109.06615	0.4
111.00927	0.2
111.04522	2.4
113.02466	2.9
120.61787	0.1
121.02927	0.3
121.06607	0.4
122.03757	0.7
123.00880	0.3
123.04549	0.5
123.08183	6.1
124.01689	0.3
124.08485	0.3
125.02464	11.6
125.06095	12.5
126.02791	0.4
126.06453	0.5
127.07659	0.2
133.02951	0.2
135.00879	0.3
135.04515	0.8
135.08179	0.2
136.05330	0.9
137.02458	9.9
137.06071	0.2
137.09744	0.6
138.03166	0.6
139.03987	0.3
139.11336	0.2
141.09236	2.2
147.08173	1.2
149.02510	0.2
149.06091	0.3
149.09744	0.5
150.03221	0.4
150.06830	0.2
151.00414	1.3
151.03989	0.7
151.07602	0.2
151.11320	0.2
152.01166	0.4
153.01978	0.2
153.05589	0.2
153.09277	0.2
155.03526	6.1
159.08176	0.2
161.06021	0.2
163.00397	1.3
163.07658	0.2
163.11342	0.2
164.01160	0.2
164.04980	0.1
164.08440	0.6
165.02007	0.8
165.09225	25.5
166.02725	1.4
166.09563	1.3
167.03535	0.8
167.07175	1.6
173.09772	0.1
175.03972	0.2
175.07632	0.2
175.11252	0.2
177.02010	0.2
177.09239	0.7
179.03548	0.7
179.10783	4.2
180.04262	0.2
180.11159	0.3
181.01468	0.2
181.08772	0.4
189.09215	0.3
191.07159	1.5
191.08751	0.2
191.09074	0.2
191.10768	2.0
193.05122	0.2
193.08731	0.9
195.10255	0.6
197.04568	5.2
198.01695	0.2
198.04962	0.2
202.05072	0.5
203.07146	2.0
205.08788	0.2
207.06654	0.5
207.10257	0.5
209.08202	71.6
210.08542	3.8
213.11270	0.2
217.08720	0.4
219.10291	1.4
221.08203	20.9
222.08652	1.4
223.09755	1.0
233.08133	0.2
235.09769	4.7
236.10049	0.2
237.11235	0.8
239.09038	0.2
245.08105	0.2
248.06853	1.0
251.09219	2.6
263.09241	7.6
264.09641	0.5
281.10294	100.0
281.24762	0.6
282.01053	0.2
282.10651	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	279.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81393	0.4
55.01865	0.4
59.01381	1.5
61.62892	0.2
63.08757	0.3
70.16123	1.3
71.01378	0.7
79.01897	9.3
80.96540	0.4
81.25849	0.3
85.03014	0.3
87.00888	0.6
87.04494	0.5
95.01389	0.8
96.96023	0.8
107.05061	0.4
109.01712	0.6
109.02927	0.6
111.00903	0.7
111.04534	35.3
112.04854	1.1
123.00886	0.6
123.04512	1.6
124.01675	2.2
124.56110	0.3
128.01259	0.3
129.07114	0.7
139.07646	1.0
147.08176	0.7
149.02428	0.6
149.09744	0.3
151.00389	13.2
151.04012	3.0
159.04521	0.9
164.07176	0.7
165.05606	1.7
165.12749	0.3
166.06372	9.1
167.03494	0.9
167.06638	0.5
175.07640	0.9
177.09094	0.5
179.03506	1.0
179.07175	0.7
189.12836	0.6
193.05078	0.8
193.08719	4.0
194.05861	19.5
195.06215	0.8
198.05344	15.5
199.05698	0.8
203.03503	0.4
207.06665	0.6
208.07509	0.4
209.08167	1.1
221.04764	0.4
221.08191	6.8
223.07816	0.3
244.06238	0.5
247.09821	0.4
249.07579	0.5
249.11288	0.7
261.00519	0.3
261.11285	0.8
279.12378	100.0
280.12720	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	281.015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76379	0.5
57.03420	0.7
59.01376	2.3
59.96534	0.4
60.99308	11.9
69.66693	0.5
70.17944	2.4
71.01380	2.9
72.31963	0.4
85.02959	1.5
88.72498	0.5
88.98816	100.0
89.02469	2.5
89.99148	1.4
96.96007	0.7
99.00911	1.2
100.66743	0.7
101.02483	1.1
111.00889	1.0
112.98802	2.9
113.02483	1.9
124.89149	0.7
131.63878	0.6
142.99873	1.2
173.00978	1.0
224.62822	0.6
228.10919	0.5
281.08701	3.0
281.25015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80066	0.3
52.24402	0.3
61.15788	0.4
68.99821	0.6
69.56558	3.2
74.30039	0.3
79.01902	0.4
79.05559	0.4
79.18369	0.4
87.04529	0.9
87.22358	0.3
93.20130	0.4
95.05039	0.6
109.02966	1.0
111.04533	44.4
112.04881	0.8
119.08670	1.1
122.03729	0.5
123.04536	2.2
125.02480	0.9
129.07109	0.9
139.07674	0.4
145.06596	0.4
147.08199	0.6
149.09764	0.7
150.03256	0.7
151.00400	1.2
151.04028	0.9
165.05602	5.5
166.06351	0.9
175.07664	1.3
179.07162	5.1
189.12793	0.9
193.05084	1.3
193.08707	5.2
194.05917	0.6
195.06641	1.1
198.05399	0.6
208.07430	3.2
209.08168	1.8
212.06876	2.9
221.04802	0.6
221.08199	11.3
222.08612	0.7
249.07558	0.5
261.11340	0.9
264.10013	0.7
279.12378	100.0
280.12717	8.2
292.01968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.3
67.05539	0.4
68.99819	0.4
69.56049	1.7
69.56465	0.7
70.30186	0.3
71.08579	0.2
77.55951	0.2
79.01902	0.8
87.04524	0.8
98.19875	0.6
105.03486	0.4
108.54424	0.3
109.02963	0.8
111.04531	46.7
112.04897	1.5
122.03790	0.4
123.04542	2.6
125.02483	0.6
129.07133	1.0
130.45825	0.3
137.02446	0.3
139.07639	0.5
140.46602	0.3
145.06560	0.5
147.08138	0.8
149.02403	0.4
149.06100	0.6
149.09709	0.4
150.03218	0.7
151.00397	1.3
151.04010	0.8
153.25613	0.2
165.05588	5.9
166.06187	0.5
175.07587	1.3
177.09218	0.3
179.07140	5.6
180.07614	0.4
189.12894	0.5
193.05101	1.4
193.08693	5.3
194.05817	0.9
194.09000	0.5
195.06616	1.0
198.05339	0.6
205.04987	0.4
208.07455	3.1
209.08220	1.5
212.06931	2.8
221.04614	0.9
221.08183	12.0
222.08463	0.6
224.90268	0.3
247.09666	0.6
249.07700	0.7
251.12985	0.4
261.11346	0.6
279.12366	100.0
280.12708	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01374	1.7
60.80099	0.5
93.48491	0.6
98.20604	1.4
118.09936	0.7
120.62420	0.6
177.92130	0.5
239.24693	0.6
277.21722	100.0
278.22067	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01868	1.0
57.03437	1.2
58.00587	3.6
59.01377	100.0
67.39002	0.9
70.86771	0.9
71.01385	52.0
71.05017	3.4
71.28780	1.7
71.29132	1.7
72.99314	3.2
73.02921	1.9
83.01387	2.1
85.02956	8.5
87.00886	2.5
87.46166	0.9
89.02451	62.0
90.02768	1.4
93.09737	0.8
95.01399	3.4
99.04537	7.2
101.02454	30.3
102.02815	1.1
111.04554	0.9
113.02464	25.4
117.05592	19.1
119.03518	31.1
119.05021	2.8
131.03514	2.0
143.03520	2.1
149.04587	1.9
161.04572	2.7
163.04050	2.3
179.05688	4.7
191.07518	1.3
203.96729	0.9
206.19771	0.9
234.87799	0.9
279.10840	67.6
279.23245	0.9
280.11130	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	277.1447
Annotation	alhpa-tocopheronolactone
Peak:m/z	Relative Intensity
59.01378	9.4
68.24734	0.3
69.20049	0.4
70.04720	0.9
70.05143	1.3
70.65816	0.3
71.05016	0.7
76.74600	0.3
79.01890	1.1
85.06585	1.1
87.04528	0.8
95.01402	0.4
95.05008	0.5
97.03030	0.4
98.20530	0.5
98.39799	0.4
104.67253	0.3
109.06602	2.9
111.04535	0.8
121.02972	0.8
121.06616	0.4
123.08178	0.5
124.01697	0.5
125.06094	0.7
132.96312	0.3
136.44847	0.3
137.02469	0.9
138.03259	3.2
138.44429	0.3
151.00412	1.8
152.04819	0.4
163.11310	0.8
165.01938	4.1
165.05630	0.5
166.02733	18.2
167.03073	0.8
170.02182	0.5
174.55322	0.4
174.80521	0.3
179.07024	0.8
180.07898	0.9
193.05058	1.0
198.01799	0.4
205.15977	1.8
207.06615	4.5
208.07408	67.3
209.07750	3.5
212.06918	1.8
233.15466	8.8
233.17877	0.4
233.19098	1.1
234.15712	0.4
265.66312	0.4
277.14441	100.0
277.18002	22.5
277.21445	3.8
278.14783	8.0
278.18381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1445
Annotation	Tournefolin A
Peak:m/z	Relative Intensity
55.01889	0.6
55.31023	0.3
56.98731	0.3
59.01371	1.2
71.49214	0.4
79.01894	14.5
85.82425	0.3
87.00865	0.8
89.50182	0.3
95.01406	1.4
96.02169	0.9
102.55419	0.3
107.05022	0.4
111.00903	1.6
119.98727	0.3
121.06594	1.3
123.00876	0.5
123.04534	0.4
124.01684	7.6
125.02454	0.5
125.06093	6.5
137.02492	0.4
137.06137	0.7
138.03262	2.0
139.03969	0.3
140.04810	0.4
148.40401	0.3
151.00389	25.4
151.03986	1.6
152.00790	0.8
152.04811	7.8
152.10751	0.3
153.05096	0.3
156.04196	0.4
156.83890	0.3
164.56900	0.3
165.01936	0.5
165.04161	0.3
165.05571	6.2
166.05910	0.3
179.03535	1.7
179.07112	2.4
180.07930	19.6
181.08275	1.0
184.03857	0.5
193.05070	2.7
193.08533	0.4
207.06560	0.6
208.07410	39.6
209.07799	2.2
212.06909	26.5
212.09094	0.3
213.07259	1.2
213.58939	0.3
277.14444	100.0
278.14789	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1445
Annotation	Tournefolin A
Peak:m/z	Relative Intensity
55.01878	0.9
59.01375	2.8
71.71664	0.7
79.01895	16.2
82.74236	0.5
85.06631	0.6
87.00864	0.6
95.01411	2.1
107.04984	0.4
109.02967	0.9
111.00932	2.3
119.05047	1.8
121.02972	0.7
121.06608	1.9
121.10256	0.5
123.00876	1.4
123.04510	1.0
124.01682	10.3
125.02470	1.0
125.06055	2.9
127.03915	0.4
135.04463	0.4
137.02458	1.5
137.06117	0.6
137.09764	1.4
137.25154	0.4
138.03230	1.2
139.04025	1.1
140.04822	0.7
147.04482	0.4
149.02484	0.6
149.06117	0.9
151.00398	23.5
151.04021	1.9
152.00743	0.5
152.04814	6.3
165.05598	6.2
167.07121	0.5
170.18666	0.5
177.05611	7.2
178.06035	0.6
179.03523	1.9
179.07169	1.9
180.07941	12.6
181.08272	0.8
184.03716	0.7
191.03497	1.0
192.07921	5.9
193.05110	2.2
193.08727	8.7
205.15965	7.0
208.07420	37.5
209.07922	2.1
212.06911	26.4
213.07268	1.0
277.14450	100.0
277.21146	4.5
278.14786	8.1
281.22739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57814	0.6
57.03437	1.1
59.01373	2.4
69.03462	1.8
69.86238	4.5
72.99313	20.4
73.02954	28.0
75.00880	26.2
83.05023	1.3
84.94109	0.6
85.02947	1.1
87.04507	0.8
95.05051	1.1
97.06600	0.8
99.04521	0.8
99.33710	0.8
107.05036	2.2
119.80811	0.7
125.02489	1.9
125.06068	4.8
125.09732	1.6
135.04539	1.9
137.09747	0.8
139.07632	1.2
161.02470	1.0
165.05548	0.7
169.08714	2.3
181.08736	2.5
183.06544	0.9
199.09792	23.5
200.10083	1.6
201.07706	35.7
202.08015	1.9
213.09442	1.3
213.11342	18.5
214.11653	1.4
231.12378	1.4
249.74239	0.7
257.10202	2.9
275.11359	100.0
276.11737	9.6
284.27878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15881	0.2
58.69450	0.2
59.01368	0.3
65.00323	2.6
66.86843	0.2
68.99832	0.2
71.72600	0.3
81.99613	0.1
82.16848	0.2
83.18096	0.2
95.01377	0.8
108.02189	0.6
108.99307	0.2
110.00103	0.8
111.00912	0.6
117.03470	0.2
120.50876	0.2
122.03739	0.5
124.01690	0.9
127.73057	0.1
130.04201	0.1
132.02191	0.3
133.02962	0.6
135.00928	0.3
136.98824	2.8
139.00409	0.9
144.02248	0.2
145.02983	0.5
146.03760	0.7
147.00964	0.2
148.01692	0.5
149.02391	0.2
150.03221	0.5
156.02177	0.2
158.03738	0.2
160.01704	0.1
161.02473	3.1
162.03134	0.6
165.99181	0.4
172.01691	0.4
173.02466	0.4
174.03316	1.0
176.01169	0.4
177.01949	1.0
189.01971	2.1
190.02742	3.4
200.01149	2.3
201.01862	0.8
202.02725	0.6
202.99860	0.5
204.00624	0.2
205.01457	0.2
217.01363	1.0
218.02161	1.2
222.01559	0.2
228.00688	0.2
229.01419	1.0
230.02185	0.5
231.13840	0.2
245.00906	11.2
246.01620	3.7
247.01993	0.3
257.00797	0.5
273.00394	4.5
274.01175	100.0
275.01529	7.6
275.12811	1.0
275.16187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1136
Annotation	Itoside M
Peak:m/z	Relative Intensity
53.13438	0.7
59.01378	1.0
69.03463	2.2
70.02979	0.7
72.99318	23.6
73.02953	35.8
74.03299	0.8
75.00449	1.7
75.00879	31.6
82.51280	0.6
83.05042	0.8
85.02974	1.0
97.06633	0.7
107.05020	2.0
108.50462	0.6
109.06615	0.7
113.06076	1.0
125.02465	1.2
125.06147	5.6
137.06133	1.8
137.09755	1.0
137.35663	0.6
139.07643	1.0
157.51334	0.6
165.05550	1.4
181.08789	4.0
183.06647	3.2
199.09763	16.9
200.10027	0.6
201.07701	85.5
202.08018	5.0
213.11316	22.5
214.11703	1.6
257.10397	2.8
275.11356	100.0
276.11676	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	273.0404
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
51.31222	0.2
59.01385	0.6
69.82531	0.4
69.82948	1.3
75.00894	0.4
95.01408	0.7
101.44543	0.2
105.64027	0.3
108.02202	0.8
123.00892	1.4
125.46378	0.2
135.00899	0.4
146.03786	0.3
149.99602	2.2
158.03720	1.3
158.21098	0.2
161.02481	0.7
174.03236	1.5
185.02536	0.3
186.03246	0.9
189.01881	0.4
202.02805	0.9
204.00662	0.4
214.02765	0.3
219.41501	0.3
229.01425	0.7
230.02206	22.5
231.02512	1.4
255.39404	0.3
257.01007	0.3
258.01685	100.0
259.02017	6.7
273.04031	74.9
274.01691	0.2
274.04327	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	273.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
65.00320	0.3
69.89127	0.5
69.89538	1.5
70.76276	0.3
71.11353	0.3
76.96908	0.3
86.83139	0.3
98.19965	0.5
108.02186	4.2
109.02957	1.1
137.02507	0.7
137.09688	0.5
142.04271	0.3
146.03726	0.3
155.10815	1.7
158.03786	0.6
161.02466	0.8
174.03256	2.9
185.02393	1.8
186.03230	2.4
189.01895	0.4
199.09744	0.8
201.01964	1.0
202.02702	3.0
213.01941	1.9
214.02715	1.1
229.01419	4.5
229.04984	0.3
230.02193	20.0
231.02524	1.1
245.04567	0.6
257.00943	0.4
258.01675	80.6
259.01987	5.0
273.04028	100.0
274.04376	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	273.0979
Annotation	Dikegulac
Peak:m/z	Relative Intensity
51.58793	1.3
57.03443	3.0
57.78812	1.4
59.01382	28.4
59.01680	2.9
60.04778	1.3
67.96867	1.2
69.03474	1.9
69.81087	2.8
69.81499	6.1
72.99314	42.7
75.00876	40.6
83.05016	7.4
97.02986	1.6
97.06584	2.0
103.00372	8.4
107.05058	1.6
107.08666	4.7
120.05832	2.6
121.10169	1.3
131.08693	6.3
134.07336	1.5
135.08214	4.7
137.09738	1.5
147.08163	2.5
149.09731	21.6
151.07660	5.4
174.86313	1.5
175.07672	1.6
179.07162	6.3
190.34166	1.5
193.08728	6.9
196.98358	1.5
211.09766	26.5
229.10806	44.4
230.10999	2.1
249.63478	1.4
255.08720	100.0
256.09067	7.0
273.09811	28.9
273.12930	2.3
294.50656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18455	0.1
59.01408	0.3
67.48196	0.2
70.74052	0.2
70.74380	0.3
74.11335	0.2
75.00906	0.2
75.34116	0.1
91.28156	0.2
92.28325	0.1
95.01454	0.5
95.73634	0.1
108.02201	2.4
111.91939	0.1
123.00981	0.3
130.04323	0.3
145.03052	0.2
146.03787	0.4
148.01689	0.2
158.03745	0.6
161.02467	0.4
174.03252	1.7
176.01123	0.8
177.01910	0.2
185.02458	0.2
186.03253	0.6
193.84380	0.1
201.01884	0.5
202.02762	2.0
213.01965	0.5
214.02725	0.5
229.01439	1.0
230.02206	3.5
245.00735	0.2
257.00931	1.4
258.01685	100.0
259.02057	6.5
273.04034	88.9
274.04364	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	273.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88331	0.2
59.01386	0.7
70.06480	0.7
70.06898	0.9
75.00887	0.7
82.84968	0.2
88.69706	0.2
90.99753	0.3
98.20621	0.3
108.02171	0.3
145.03009	0.5
158.03726	0.9
161.02449	0.5
173.02458	2.0
174.03130	0.6
185.02463	0.8
186.03250	0.4
201.01950	0.8
202.02731	1.1
213.01894	0.5
214.02698	1.4
229.01515	0.4
230.02206	15.7
231.02573	0.8
241.01472	0.3
245.00941	0.3
258.01678	100.0
259.02042	6.4
273.04028	70.6
273.13477	0.9
273.20667	0.5
274.04361	6.4
274.07388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63398	0.3
70.63725	0.6
80.02639	0.2
106.02362	0.2
108.02193	0.4
117.69540	0.2
125.77837	0.3
130.04208	0.3
146.03775	0.5
158.03769	1.0
160.01747	0.6
161.02455	0.8
173.02415	0.6
174.03244	6.0
175.03664	0.4
176.01175	0.8
185.02455	1.5
186.03250	2.7
188.01157	0.4
189.01964	5.3
189.03636	0.4
190.02721	0.5
201.01944	0.9
201.05618	0.3
202.02739	16.5
203.03137	1.0
213.02126	0.3
214.02699	1.3
217.01508	0.3
229.01413	1.0
229.05069	0.6
230.02205	10.3
231.02692	0.7
244.81552	0.2
257.00705	0.3
258.01678	100.0
259.02029	6.8
260.74841	0.3
273.04025	95.9
274.04364	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
65.00320	0.2
69.84657	0.8
69.85081	0.8
107.60120	0.2
108.02188	0.8
119.05083	0.3
120.34238	0.3
151.00418	0.3
158.03795	0.3
160.01671	0.2
161.02461	0.3
174.03214	1.3
177.02029	0.3
185.02463	1.6
186.03229	2.5
201.01955	0.3
202.02722	0.9
205.01405	0.6
213.01976	0.6
214.02615	0.2
229.01433	3.6
230.02208	49.2
231.02577	3.4
257.01056	0.3
258.01688	100.0
259.02029	6.5
273.04037	72.2
274.04379	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	273.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01333	1.1
65.00310	0.4
66.34435	0.3
69.41142	2.3
69.41567	1.2
75.00854	0.7
83.01346	0.5
95.01349	0.4
100.85299	0.3
107.01387	0.3
108.02138	1.0
122.00104	0.5
123.00929	2.0
123.74567	0.3
125.02434	0.8
133.02930	0.5
136.07664	0.5
145.02930	0.5
146.03716	0.6
148.01640	0.5
149.99609	0.4
151.00328	1.0
157.02965	0.4
158.03761	3.5
159.04201	0.3
161.02464	3.9
162.02835	0.3
173.02435	0.6
174.03238	9.0
175.03603	0.5
176.01070	0.9
177.01828	0.8
185.02408	0.5
186.03239	3.3
189.01744	0.4
190.02792	0.6
201.01875	2.1
202.02734	15.1
203.03075	0.8
206.02116	1.0
212.10849	0.7
213.01970	1.9
214.02762	1.9
215.03189	0.5
225.06700	0.7
226.07457	0.3
229.01363	2.0
229.08516	0.5
230.02213	2.4
239.77000	0.3
241.01405	3.3
245.00871	0.3
245.04431	0.4
255.02995	0.6
255.11401	1.9
258.01691	100.0
259.02023	7.8
273.04053	81.8
273.07562	7.4
273.20837	0.6
274.01431	0.5
274.04358	6.1
274.07440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.74199	0.2
59.01365	0.4
69.93904	0.7
69.94343	0.7
83.98029	0.2
85.70946	0.2
98.20506	0.3
119.05045	0.4
151.00351	0.6
211.07260	0.2
223.20663	0.3
225.22234	4.2
226.22572	0.4
251.16371	0.2
253.21736	1.4
269.21240	0.8
271.02716	0.4
271.06091	0.6
271.22766	100.0
272.23114	9.5
272.25430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81382	0.9
57.03437	2.8
58.02985	2.1
59.01379	7.2
60.27894	1.2
69.61164	7.3
71.01395	2.0
72.99318	2.4
74.02478	2.5
75.10562	1.0
75.29242	1.0
79.35731	0.9
79.95728	0.9
83.01376	2.4
86.02483	1.0
86.76457	1.1
87.00888	1.1
87.05687	1.3
93.03474	1.3
95.05015	1.3
99.00900	3.4
99.05647	3.0
107.01411	1.7
109.02967	3.8
109.06580	2.1
112.98841	6.4
112.99548	1.5
115.00349	1.1
119.05035	2.9
123.08189	2.5
123.12393	1.1
125.02435	4.5
125.06102	1.2
127.07732	1.3
128.03558	8.1
137.06171	1.3
139.07677	1.7
142.99864	3.6
143.04630	12.8
145.02931	1.3
146.04625	1.4
151.00366	2.4
153.05565	3.8
153.21510	1.1
161.02498	1.9
163.04114	1.4
171.04437	1.1
173.00987	1.8
173.10597	0.9
174.01717	100.0
175.02109	5.3
175.04179	1.0
179.04657	1.7
181.12439	1.2
183.04517	1.4
187.04008	1.4
193.05083	2.1
199.04021	1.8
199.40997	1.1
201.05579	1.2
203.07202	2.1
215.03462	1.5
227.03474	5.8
227.07036	1.1
227.12801	2.1
228.04459	1.3
229.05008	2.1
241.04933	1.2
243.02940	2.7
254.07751	1.9
270.99588	2.1
271.02460	31.6
271.06039	23.2
271.08719	1.8
271.11792	6.2
271.15561	2.9
271.22659	3.3
272.03143	10.6
272.06131	1.9
272.08890	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	271.0249
Annotation	1,7-Dihydroxy-2,3-methylenedioxyxanthone
Peak:m/z	Relative Intensity
59.01357	1.2
61.98830	0.4
63.02384	0.5
65.00308	0.8
68.99807	0.5
69.86562	0.3
71.71632	0.4
83.01405	0.3
86.53442	0.3
89.00352	0.6
93.03465	2.6
95.01371	0.8
99.69328	0.3
107.01398	1.2
108.02181	0.4
109.02973	0.5
115.05541	0.4
117.03465	0.9
119.05016	2.4
125.02445	0.9
127.05573	0.5
129.03499	0.5
133.02983	0.4
143.05040	5.7
145.02963	0.5
151.00406	1.7
154.04208	0.4
155.05028	2.1
157.03009	0.6
160.69315	0.3
161.06134	0.4
170.03760	0.5
171.04529	3.9
173.02405	0.9
175.04019	1.0
185.02473	0.4
187.03963	0.6
197.02509	0.8
198.03291	1.1
199.04024	13.8
200.04420	0.8
201.01964	3.6
201.50671	0.3
213.01906	0.9
214.02705	0.8
215.03494	2.8
225.01971	0.6
227.03456	0.6
241.01431	0.9
242.02229	2.1
243.02980	93.7
244.03325	7.1
256.30341	0.4
257.00967	0.5
269.00833	3.2
270.25073	0.5
271.02475	100.0
271.22852	2.0
272.02838	9.6
286.10538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0222
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
57.01870	0.2
59.93015	0.3
61.98839	0.5
66.12286	0.3
71.01389	3.1
71.71060	0.3
71.71491	0.5
72.22297	0.2
73.02924	0.3
78.91897	1.5
78.95914	39.9
85.02982	0.4
96.96977	100.0
99.00906	0.9
112.98851	0.5
124.98835	1.5
140.98384	0.3
142.99886	26.3
144.00235	0.7
173.00940	11.7
174.01274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55588	0.2
52.77243	0.2
53.00306	0.5
61.98824	0.2
63.90013	0.2
71.01380	3.0
78.91890	1.1
78.95910	38.6
93.03521	0.3
96.96974	100.0
98.19913	0.5
99.00884	0.8
112.98839	0.6
124.98821	1.5
140.98360	0.5
142.99876	22.8
144.00198	0.7
173.00929	10.0
174.01308	0.3
187.56064	0.2
227.12933	0.4
229.24576	0.2
230.80829	0.2
245.87323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0982
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
51.27804	0.5
52.25819	0.4
55.01870	0.6
58.00582	1.3
59.01379	21.9
60.51871	0.4
61.98803	0.6
64.28655	0.4
69.03444	0.7
69.60603	3.2
71.01388	30.7
72.01721	0.4
72.99307	1.9
73.02950	1.5
75.00871	0.6
79.99800	0.4
83.01394	1.0
85.02962	1.4
87.00887	1.1
89.02457	5.4
92.05073	29.0
93.03452	0.6
94.03031	0.6
97.02935	0.9
101.02454	1.4
106.06647	1.4
109.02966	0.6
116.05072	6.6
118.06644	9.3
119.05035	0.6
125.02446	0.9
130.06648	0.8
132.08211	24.2
133.08530	1.4
134.06148	6.1
136.04054	2.1
145.02934	0.5
145.55811	0.5
146.06129	2.8
158.06087	0.9
160.07700	23.9
161.08076	0.9
162.05627	1.2
164.07182	1.5
171.04543	0.7
174.01743	2.3
176.07187	3.7
176.79088	0.5
195.23116	0.5
201.05551	0.8
202.06041	0.8
203.07124	0.6
204.06631	1.6
225.05411	0.6
226.06039	0.7
226.10718	2.5
227.03423	1.4
229.05099	0.6
239.35870	0.5
242.05333	0.6
243.03113	0.7
243.06708	0.5
253.05161	0.7
269.24088	0.5
270.04926	5.1
270.09814	100.0
271.02457	10.2
271.06058	5.3
271.10107	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	268.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
59.15334	0.3
59.15677	0.3
61.98832	100.0
63.52217	0.3
65.82957	0.3
70.07706	1.9
80.41628	0.3
89.02438	0.3
156.55937	0.4
172.97652	0.5
227.05121	0.3
243.95049	0.3
268.11249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01369	0.5
63.02400	0.9
64.70599	0.2
65.00325	3.3
73.02921	0.2
81.03446	0.3
83.01386	1.9
85.06591	0.2
87.04496	0.2
93.03453	0.5
95.05023	0.2
98.19900	0.4
105.03490	1.2
107.01401	6.5
117.03477	23.1
118.03823	1.1
121.02982	1.4
149.02461	9.5
150.02788	0.5
151.00388	10.6
152.00787	0.4
157.06635	0.2
159.04536	2.3
169.01337	0.3
169.06616	0.3
171.04639	0.2
180.05795	0.6
181.06631	1.5
183.04539	1.7
185.02470	0.7
196.05228	0.3
197.06087	0.5
199.04089	0.2
201.05586	1.9
207.13994	0.2
213.05702	0.3
214.39653	0.2
224.04776	0.5
225.05565	4.1
225.14978	0.8
226.05905	0.4
227.03481	1.7
229.36981	0.3
241.05003	0.3
269.04532	100.0
269.21170	1.1
269.24753	0.6
270.04883	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	267.0722
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01884	1.0
57.03458	3.1
58.00584	0.7
59.01382	21.0
63.97002	0.6
70.87813	1.9
71.01388	25.4
72.99313	3.3
73.02941	1.0
73.91317	0.5
75.00882	10.9
78.95908	8.2
80.15495	0.5
83.01404	0.8
85.02960	22.3
87.00883	19.4
89.02453	10.7
91.04028	1.2
92.37444	0.7
95.01376	3.9
96.96045	1.1
99.00889	5.3
100.36584	0.5
101.02460	4.0
103.00386	1.9
105.01944	4.1
110.93479	1.0
112.01653	0.7
113.02465	31.6
115.00372	0.9
117.01947	2.3
118.16503	0.5
119.03548	2.2
129.01970	2.0
132.88690	0.8
146.86723	1.5
148.86388	0.7
152.91734	1.1
152.94431	1.2
154.91614	1.6
162.92979	3.0
169.01683	1.0
169.03090	0.6
169.53815	0.6
170.01283	0.9
175.02530	1.8
178.96063	1.2
180.94043	5.8
189.43735	0.7
191.05627	5.1
200.92140	0.8
205.07161	0.7
206.95604	1.6
207.05121	1.3
214.60062	0.6
216.87207	3.5
234.88219	1.6
237.06258	1.0
246.85065	1.3
248.84705	2.4
248.89897	1.8
248.98470	3.8
249.06142	3.1
249.97643	1.0
266.81262	1.4
266.97659	2.6
266.99289	3.1
267.07205	100.0
267.95142	2.6
267.98550	3.4
268.07590	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	267.0297
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
52.96241	0.1
54.63203	0.1
59.01371	0.7
63.02409	0.4
65.00328	0.3
66.37531	0.1
69.56932	1.2
73.02950	0.1
75.52329	0.1
103.27901	0.1
107.01405	0.5
139.05527	0.3
141.03499	0.7
143.05035	0.4
147.04509	0.2
157.02966	1.4
167.05025	3.7
167.06125	0.1
168.05365	0.3
169.02985	0.5
169.06615	0.2
171.04530	0.5
179.05055	0.3
181.02922	0.8
183.04555	0.2
185.06073	0.3
187.04036	0.4
194.03740	0.6
195.04529	4.1
196.04826	0.3
197.02448	0.4
199.04025	0.6
211.03989	1.1
212.04369	0.2
217.17892	0.1
222.03210	1.3
223.04007	10.5
223.17116	0.2
224.04350	0.9
225.01917	2.5
226.02348	0.1
238.02803	0.2
239.03479	1.0
246.70178	0.1
266.02182	0.3
267.02969	100.0
267.17844	0.6
268.03299	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	265.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
59.01377	2.9
69.03098	0.5
69.03460	6.3
71.01381	0.8
71.05028	1.0
81.03482	0.6
83.05048	0.7
83.22671	0.2
85.02972	0.3
90.72894	0.2
97.02951	0.5
98.19920	0.6
99.04559	0.4
111.00916	0.3
113.02464	1.2
114.75588	0.3
121.06577	0.3
123.00889	0.4
123.08172	0.7
125.02491	2.2
126.03252	3.5
127.30566	0.2
134.04765	0.3
139.04042	0.7
140.54420	0.3
151.11330	1.0
155.47159	0.3
158.02225	5.0
159.02554	0.3
163.03966	0.5
178.06386	0.4
181.05074	0.4
193.12312	0.6
203.14438	0.5
218.58109	0.3
221.08041	0.4
221.15556	0.5
247.13358	2.3
250.08574	0.5
265.14438	100.0
266.14780	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	265.1435
Annotation	Rugosal A
Peak:m/z	Relative Intensity
55.01655	0.4
55.01861	2.0
55.65354	0.3
57.03453	0.3
59.01377	2.5
65.67580	0.3
71.20074	0.3
71.72713	0.5
79.95752	0.6
80.12025	0.3
91.43549	0.4
95.17672	0.3
96.96024	28.5
97.06596	1.3
99.00851	0.4
101.06087	0.7
111.04541	0.8
124.01682	0.8
125.02456	1.1
127.00391	1.1
139.04034	100.0
140.04378	3.3
153.05598	23.5
154.05919	1.0
167.07140	0.8
168.07906	1.5
181.05092	0.9
196.07437	23.8
197.07787	1.3
200.06929	12.8
201.07256	0.7
213.26157	0.4
221.01120	0.4
265.14526	93.9
266.14847	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67858	1.0
54.24026	0.9
55.01875	1.3
56.47017	0.9
57.03437	1.1
58.00601	4.7
59.01379	100.0
61.01806	1.1
61.98838	1.1
64.30708	1.0
64.40271	1.0
65.08887	1.0
69.45982	9.3
71.01389	58.5
72.99316	6.2
73.02956	2.3
80.96539	2.5
83.01373	2.8
85.02959	53.2
87.00878	4.1
89.02454	67.9
95.01380	3.9
99.29234	1.0
101.02454	34.3
103.04001	3.4
107.03638	3.2
113.02469	24.5
119.03519	27.7
120.99644	2.0
122.97826	1.1
131.03510	3.6
134.04749	68.9
134.68144	1.0
135.04568	1.5
143.03490	5.3
149.04588	2.1
161.04561	3.4
163.04028	1.1
177.05728	1.1
179.05621	8.0
265.03812	2.5
265.09302	23.6
266.09094	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03441	1.7
58.00587	4.5
59.01382	100.0
60.01702	1.4
71.01390	55.8
71.71382	1.6
72.99311	3.4
73.02928	3.8
83.01385	2.5
85.02960	13.5
87.00868	3.5
89.02456	61.8
90.02800	1.4
94.65700	1.1
95.01406	4.1
101.02458	36.2
103.04030	10.2
112.27077	1.0
113.02467	26.4
119.03528	30.9
131.03450	3.2
143.03519	4.0
143.53278	1.1
149.04549	2.4
158.37495	1.2
161.04588	4.1
179.05659	4.4
213.25648	1.4
258.00098	1.3
265.09274	52.7
266.09656	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
59.84789	0.3
65.27748	0.3
65.97456	0.2
69.75945	0.5
69.76355	1.5
74.72485	0.3
79.01896	7.0
87.00868	0.3
91.86616	0.3
95.01410	0.8
111.00919	0.6
111.04527	2.8
118.89114	0.3
123.00829	0.3
124.01691	1.2
125.13792	0.3
134.08708	0.3
140.66875	0.3
151.00391	9.9
151.01563	0.6
151.04022	1.2
165.05592	0.7
166.06367	10.6
179.03435	0.6
193.04999	0.3
194.05855	22.0
195.06233	1.5
198.05356	10.1
198.07224	0.4
199.05667	0.4
247.63597	0.4
263.12875	100.0
264.13223	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	263.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63549	0.3
55.01893	0.3
59.01366	0.7
69.94274	1.5
79.01899	6.3
82.51190	0.2
83.83683	0.2
87.00874	0.4
95.01394	0.5
107.05077	0.3
111.00892	0.6
111.04518	2.7
111.91052	0.2
112.04919	0.3
113.69382	0.3
123.00868	0.3
124.01733	1.2
131.24818	0.2
150.99162	0.6
151.00388	10.7
151.03996	1.6
152.58336	0.3
165.05617	1.1
166.06367	11.9
167.06712	0.8
179.03558	0.4
194.05855	27.7
195.06183	1.7
198.05351	11.7
199.05705	0.7
247.60832	0.3
263.12875	100.0
264.13217	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1286
Annotation	gamma-CEHC
Peak:m/z	Relative Intensity
57.03442	0.5
59.01384	3.1
65.00326	0.9
69.03442	0.5
71.01377	0.3
71.72742	0.6
77.16003	0.3
79.01891	2.8
79.05501	0.3
81.03462	2.0
85.06600	1.9
87.04526	0.5
94.03009	0.6
95.01405	1.0
97.02974	0.5
100.65645	0.3
107.05064	0.3
107.08696	0.4
109.02923	0.3
109.06609	5.2
111.00877	0.4
111.04535	8.2
121.06574	0.4
123.00924	2.5
123.08187	0.5
124.01694	2.4
125.09733	0.5
133.06616	1.8
134.77420	0.3
137.02489	0.4
146.76112	0.3
147.08167	0.4
149.09749	2.1
151.00383	5.2
151.04028	0.7
151.07672	11.0
152.01125	1.3
152.07971	0.5
165.05579	0.5
166.02751	0.6
166.06372	3.8
175.11224	0.4
176.08386	0.3
177.01918	0.9
177.12857	1.4
179.03513	0.4
193.08722	4.2
194.05858	8.1
194.08916	0.3
195.06319	0.7
195.14032	0.3
198.05344	6.2
199.05717	0.4
203.39267	0.3
204.11615	0.6
205.05078	1.7
207.06615	0.5
208.07257	0.6
217.12268	1.9
219.06606	1.8
219.13908	14.5
220.07443	0.8
220.14226	1.0
241.70238	0.4
245.11803	1.8
263.12872	100.0
264.13232	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	262.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44013	0.8
57.03440	3.7
59.01381	2.7
60.99298	1.0
64.36825	0.8
67.50551	0.8
68.05060	1.2
69.03455	5.1
70.02996	6.2
71.01392	4.8
71.06663	0.8
71.70578	1.0
73.02953	1.1
75.00881	1.5
82.03008	0.8
83.01405	1.9
83.05067	1.0
85.02961	54.3
86.02496	1.1
86.03317	0.9
87.00891	1.0
87.04515	6.5
87.92558	2.4
88.98814	3.6
89.02460	3.1
94.03007	1.4
96.00936	1.2
96.04566	100.0
97.02975	7.7
97.04911	3.2
98.02504	2.7
99.00881	4.7
103.92040	6.2
104.92831	1.6
108.04507	0.9
109.02970	1.2
111.00927	1.3
111.04517	1.7
112.04073	3.6
114.02009	1.1
114.05630	1.1
115.04017	5.2
120.99669	1.5
122.02503	1.5
123.94670	1.5
126.05646	0.8
128.03564	8.1
129.01961	15.0
139.04019	1.0
140.03540	2.8
141.01959	3.5
142.01488	17.1
142.05101	1.0
144.02982	1.1
145.96750	2.7
157.05031	1.2
158.04607	19.6
159.02994	2.9
161.96205	1.8
172.02563	2.0
199.94148	2.4
200.05713	1.5
202.03583	9.7
219.05141	2.0
261.94104	2.2
262.05597	2.6
262.08325	0.8
263.05762	1.6
273.36655	0.8
278.01123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90295	0.9
55.01867	0.9
57.03439	3.2
59.01385	2.0
66.03473	0.9
69.03454	4.9
70.02985	4.8
70.37913	2.8
71.01378	3.0
72.00909	1.0
73.02938	1.0
82.02970	1.0
83.01367	0.9
85.02962	56.5
86.02489	1.0
86.03292	2.0
86.06123	1.1
87.04527	6.6
91.22137	0.9
93.45198	0.9
94.02959	1.4
96.00925	1.9
96.04566	100.0
97.02985	7.7
97.04897	2.2
98.02486	0.9
98.19894	1.0
99.00883	5.6
109.02972	1.4
112.04068	4.1
114.02020	1.5
115.04006	3.3
116.03501	0.8
126.05611	1.4
128.03549	7.5
128.89241	1.4
129.01968	12.0
129.24088	0.8
140.03510	3.5
140.04477	0.9
141.01947	4.7
142.01476	16.7
144.86992	1.3
158.04608	19.6
159.02966	2.7
159.04695	1.0
171.98375	1.8
172.02507	3.3
185.98216	1.3
202.03596	8.0
203.99159	1.2
219.05042	1.9
262.05545	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	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	0.9
59.01387	5.2
62.25669	0.5
63.02400	0.9
65.00344	2.5
70.02986	10.1
72.04556	4.1
74.02480	100.0
75.02816	0.9
83.01384	1.7
84.04560	1.4
86.02468	0.6
98.02489	25.1
98.19836	1.1
99.02857	0.7
107.01411	2.5
107.05080	0.7
109.02959	1.2
116.03555	61.6
117.03893	1.5
119.05039	0.7
125.02508	1.1
127.05492	0.6
128.03554	6.9
131.03757	0.8
131.05040	1.5
132.04576	33.2
133.02982	0.8
133.04910	1.3
143.05052	0.7
144.04578	5.4
144.97694	0.5
147.04497	0.9
151.00388	3.9
151.04028	1.7
155.05006	2.9
157.03000	1.2
158.06151	1.0
171.04596	1.1
173.05997	1.1
174.03236	1.0
175.04022	4.7
175.08765	1.6
177.01939	1.1
189.05637	0.7
191.03523	1.4
191.09685	0.5
193.05078	1.1
198.03157	0.7
199.04028	10.8
199.05916	0.6
200.04445	0.6
201.01965	0.8
201.06703	13.8
202.07088	0.9
204.10829	0.5
217.05070	1.9
217.09801	0.7
219.07764	3.3
233.04558	1.1
243.02988	25.9
243.07761	0.9
244.03218	2.4
261.04117	24.6
261.08762	35.3
261.22238	0.8
262.04352	1.9
262.09042	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	261.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
59.01386	0.5
59.01673	0.3
61.98819	0.3
63.02399	3.0
65.00333	9.9
65.03959	0.5
68.99822	1.5
71.20683	0.6
81.03452	0.8
83.01396	6.0
89.03976	0.8
91.01878	0.5
93.03468	0.3
103.05546	0.5
107.01406	9.1
107.05051	1.6
108.01732	0.3
109.02968	5.9
115.05501	0.4
119.05064	1.0
121.02966	0.3
123.04556	1.1
125.02471	4.9
127.05515	0.9
129.03470	0.5
129.07175	0.3
130.04286	0.6
131.05057	6.6
132.05392	0.6
133.02980	3.1
135.00900	1.2
143.05023	2.7
145.03000	0.5
145.06598	1.0
147.04535	2.2
149.02466	1.9
149.06099	1.7
151.00398	12.8
151.04028	6.8
152.00725	0.4
153.01912	0.3
154.04253	0.7
155.05054	9.4
156.05431	0.4
157.02974	4.9
158.03505	0.3
159.04474	0.4
161.02461	0.4
161.06062	0.6
163.04065	0.7
165.01929	0.6
171.04553	3.0
173.02449	0.3
173.06099	3.1
174.03255	2.2
175.04024	17.0
176.04387	0.8
177.01938	2.2
182.03700	0.4
187.04041	1.2
189.05589	1.4
191.01897	0.5
191.03503	4.9
192.04005	0.4
193.05096	2.5
194.05426	0.3
198.03233	2.2
199.04027	37.6
200.04362	2.2
201.01961	3.4
215.03529	0.9
217.05054	5.7
218.05408	0.4
219.03029	0.7
231.02991	0.7
233.04637	1.8
243.02991	100.0
244.03328	7.7
261.04041	88.3
262.01648	0.3
262.04398	6.8
265.93988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0402
Annotation	Maclurin
Peak:m/z	Relative Intensity
57.03426	0.4
63.02393	2.2
64.99991	0.6
65.00327	10.9
65.03950	0.6
68.99805	1.7
71.48501	0.5
76.23959	0.3
81.03450	0.6
83.01399	6.0
86.55059	0.3
87.36169	0.3
89.03967	0.9
98.95596	0.9
103.05524	0.4
103.34856	0.3
105.03436	0.3
107.00703	0.6
107.01405	10.9
107.05039	1.8
108.97742	0.3
109.02970	5.3
113.04011	0.4
117.03487	0.4
119.05032	0.8
121.02947	0.3
123.04521	1.1
125.02467	5.3
127.05576	0.6
129.03511	0.6
130.04254	0.9
131.05049	6.8
133.02032	0.4
133.02974	4.0
135.00880	1.6
138.02609	0.3
141.08282	0.3
143.05060	2.5
145.02942	0.6
145.06578	1.1
147.04539	2.5
149.02446	1.6
149.06107	1.7
151.00394	14.1
151.04025	7.3
152.00772	0.6
153.02007	0.4
154.04257	0.5
155.05049	9.5
156.05418	0.5
157.02983	5.1
161.06120	0.5
163.04012	0.6
165.01979	0.5
171.04555	3.1
173.02353	0.3
173.06087	5.4
174.03236	2.3
174.06424	0.4
175.04025	18.5
176.04338	0.7
177.01945	3.0
182.03754	0.5
187.03996	1.1
189.05623	1.9
191.03510	5.1
192.00647	0.4
193.05058	3.3
198.03180	1.8
199.04027	35.7
200.04385	3.2
201.01929	3.4
202.99924	0.5
215.03470	1.3
217.01685	0.4
217.05072	7.0
218.05377	0.4
219.03014	0.9
231.03105	0.4
233.04561	1.9
243.02982	100.0
244.03313	8.0
261.04037	89.4
262.04395	6.9
262.07123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0248
Annotation	alpha-D(+)Mannose 1-phosphate
Peak:m/z	Relative Intensity
65.03958	0.7
65.97361	0.1
67.11014	0.1
69.52734	1.5
93.03454	0.2
95.01402	0.5
96.23792	0.2
99.86154	0.1
107.01415	0.4
109.02964	0.6
115.05541	0.4
117.03487	0.4
119.05041	0.7
121.02996	0.2
123.00896	0.3
125.02505	0.2
131.05077	0.2
133.02965	0.3
137.02448	0.2
143.05048	1.2
145.03000	0.7
147.04526	0.5
149.02464	0.4
149.99606	2.3
150.03172	0.2
151.00414	0.9
153.15918	0.2
159.04530	1.1
161.02455	0.8
163.03972	0.6
169.03012	0.3
171.04510	1.1
173.02463	0.5
175.04073	0.5
185.02371	0.3
187.04013	3.1
188.04341	0.3
189.01906	0.9
189.05577	0.2
191.03499	0.6
203.03506	1.4
213.01926	0.3
214.02687	0.4
215.03508	9.4
216.03777	0.9
217.01408	1.8
217.05090	0.1
230.02197	0.2
231.03024	0.8
258.01575	0.3
259.02466	100.0
260.02805	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	259.1186
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
52.05104	0.3
57.03440	0.9
60.90392	0.4
61.29260	0.3
70.29044	1.4
70.86034	0.4
72.99313	19.1
73.02950	1.1
75.00879	60.7
76.01215	0.5
83.05047	0.4
87.04533	2.3
94.35526	0.3
120.72584	0.4
137.09729	0.4
139.11316	14.4
140.11661	0.9
151.11327	0.6
153.12883	1.6
183.10275	15.5
184.10654	1.0
197.11853	1.6
213.11234	0.7
215.03455	0.4
215.12843	4.3
226.61412	0.3
239.75395	0.4
241.10878	1.1
259.02600	4.6
259.11844	100.0
260.02826	0.6
260.12204	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	259.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80136	0.1
61.48957	0.1
63.02399	0.1
65.00316	0.8
67.58453	0.1
69.64909	0.8
69.65331	0.3
74.39991	0.1
75.62431	0.1
83.01407	0.3
84.01742	0.1
89.00356	0.4
93.03482	0.1
95.01395	0.4
97.25747	0.1
103.05585	0.2
107.01411	0.6
109.02962	0.3
115.05553	1.0
117.03470	0.4
119.05044	1.9
121.02972	0.5
124.01669	0.1
125.02460	1.7
127.05502	0.2
130.04289	0.2
131.05028	0.4
133.02937	0.1
133.06606	0.1
135.00900	0.1
135.04553	0.2
137.02452	0.1
143.05045	2.6
144.05389	0.2
145.02979	1.4
145.44806	0.1
147.04527	0.9
149.02461	1.3
151.00403	1.5
158.03777	0.1
159.04536	2.4
161.02440	0.6
161.06099	0.6
163.04015	0.4
165.01939	0.2
169.02985	0.5
170.03700	0.2
171.04541	3.3
172.01712	0.2
172.04919	0.2
173.02464	2.0
175.04001	0.4
176.01187	0.1
177.01817	0.2
185.02464	0.4
187.04016	3.6
188.04414	0.2
189.01952	0.8
190.02567	0.1
191.03506	1.9
197.02452	0.4
198.03276	0.2
201.09309	0.2
202.02785	0.2
203.03510	1.6
213.01947	1.1
214.02689	0.3
215.03508	8.6
216.03842	0.7
217.01427	1.4
218.01784	0.1
229.01353	0.1
230.02242	0.1
231.02988	1.3
241.01317	0.5
241.08600	0.2
242.02223	0.3
258.01703	0.5
259.02466	100.0
259.09781	2.4
260.02795	9.5
260.10077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08100	0.1
69.59310	0.3
69.59731	0.6
72.17660	0.1
95.01432	0.3
95.05046	0.1
103.05526	0.2
107.01421	0.1
109.02963	0.4
109.08462	0.1
115.05534	0.5
117.03499	0.3
119.05039	1.8
121.02977	0.4
123.00868	0.1
125.02486	0.3
127.05532	0.1
127.61000	0.1
131.05031	0.3
133.02986	0.3
133.06670	0.1
135.04535	0.3
143.05038	1.3
145.03017	1.1
147.04539	0.5
149.02461	0.4
151.00394	1.0
158.03781	0.2
159.04547	2.1
161.02438	0.8
163.04036	0.9
169.01634	0.1
169.02887	0.5
170.03748	0.1
171.04572	0.9
173.02434	1.0
175.04015	0.4
176.01099	0.1
177.05653	0.1
185.02528	0.2
186.03227	0.2
187.04039	5.1
188.04359	0.3
189.01962	0.9
191.03546	2.3
198.03294	0.2
200.01152	0.5
201.09314	0.2
203.03546	2.0
204.03949	0.2
213.01971	0.1
214.02690	0.4
215.03517	10.3
215.14423	0.1
216.03839	1.1
217.01454	2.1
230.02277	0.2
231.02985	2.0
232.03372	0.1
242.02176	0.2
253.20245	0.1
258.01654	0.5
259.02472	100.0
260.02805	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	259.0227
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
59.01359	0.5
62.96419	0.2
63.13504	0.2
71.01386	0.3
71.02656	0.5
71.03005	0.3
78.95911	100.0
80.96512	0.3
81.18291	0.2
96.96085	4.0
96.96976	70.6
101.02460	0.6
102.79680	0.2
109.44720	0.3
112.59975	0.2
117.64419	0.2
127.65125	0.2
138.97089	1.2
138.98065	4.5
156.91093	0.5
166.51460	0.2
168.99146	1.9
178.96075	0.4
198.90540	1.1
198.92218	1.0
198.99133	0.8
199.00209	1.3
213.05174	0.5
214.93738	0.5
216.90633	2.0
223.00227	0.5
234.91675	0.3
240.91711	0.8
241.01231	3.0
255.42169	0.2
258.92480	1.6
259.02240	34.4
260.02515	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	257.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84295	0.2
59.01364	1.1
69.48205	1.1
69.48631	1.6
77.98040	0.2
85.59077	0.2
92.84384	0.2
111.16515	0.3
121.89561	0.2
158.03749	2.0
161.02484	0.7
170.03705	1.2
172.01675	2.1
185.02396	0.3
186.03230	4.1
187.03679	0.3
198.03212	1.1
200.01241	0.5
214.02715	14.6
215.03091	1.1
242.02199	100.0
243.02542	8.1
256.23666	1.4
257.04541	81.0
257.23895	0.5
258.02097	0.4
258.04874	7.6
270.65265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1032
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
56.99865	0.8
57.03453	6.5
58.00577	0.8
59.01385	3.6
60.99305	0.8
62.45845	0.5
66.41441	0.5
69.03474	0.9
71.71752	0.9
72.99316	53.3
73.02910	0.8
73.99637	1.0
75.00880	63.4
76.01225	0.8
83.05022	1.4
85.02972	1.3
87.00906	0.7
87.04523	2.4
94.73698	0.5
97.38251	0.6
99.04552	3.0
109.06618	0.6
119.05050	0.8
119.08683	3.5
125.06109	2.6
135.08147	1.3
137.06094	0.8
137.09740	8.4
149.09750	1.3
151.07716	0.7
151.11403	0.7
152.73566	0.5
163.07690	2.2
166.59418	0.7
167.10834	1.2
177.09235	0.8
181.08745	24.3
182.09113	1.5
195.10214	0.6
213.01982	1.2
213.11337	57.7
214.11714	4.7
229.01431	1.2
230.02132	0.7
239.09229	2.2
242.02289	0.6
257.04575	9.7
257.10321	100.0
257.23947	1.7
258.01718	12.7
258.04633	1.4
258.10641	10.0
276.02917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19145	0.1
59.01380	0.4
60.39212	0.1
70.26926	0.3
70.27328	0.3
114.16248	0.1
130.04263	0.4
144.02180	0.3
145.02943	0.4
158.03749	4.6
159.04099	0.2
161.02454	0.7
170.03723	1.3
172.01653	1.3
173.02435	0.2
174.03235	0.2
185.02403	0.8
186.03230	7.7
187.03535	0.5
189.01872	0.3
198.03268	1.3
205.58130	0.2
213.01913	0.9
214.02719	5.9
215.03142	0.4
229.01463	0.4
241.01372	0.2
242.02197	100.0
243.02516	8.8
256.23596	0.9
257.04532	91.9
257.23859	0.3
258.04843	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	257.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
71.00169	0.2
71.29392	0.3
71.29723	0.5
77.19617	0.2
83.95619	0.2
99.08212	0.3
117.21696	0.3
145.02890	0.4
158.03745	3.9
160.01691	0.3
160.43517	0.3
161.02443	0.8
164.80630	0.2
169.44681	0.3
170.03741	2.0
172.01697	1.3
173.02425	0.6
174.03218	0.3
185.02414	0.5
186.03236	7.6
187.00360	0.4
187.03661	0.4
189.01970	0.5
198.03250	1.4
213.01950	0.8
214.02727	5.5
215.03018	0.5
227.12224	0.3
242.02206	100.0
243.02538	8.9
256.23599	2.5
257.04544	83.4
257.23923	1.4
258.02097	0.5
258.04874	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	257.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10465	0.2
59.01392	0.6
70.00900	1.0
74.07686	0.2
74.34607	0.2
74.66737	0.2
79.39208	0.2
95.01451	0.2
108.02265	0.2
117.03484	0.8
121.03011	0.4
122.00137	0.3
124.32990	0.2
130.04306	0.4
132.02205	0.5
138.61276	0.2
141.03494	0.5
142.04280	0.8
145.02974	5.3
146.03468	0.4
147.04553	0.3
151.00388	0.4
158.03757	9.6
159.04137	0.7
160.01694	0.8
161.02422	0.4
162.03241	0.2
169.02972	1.9
169.50461	0.2
170.03754	24.4
171.04085	2.1
173.02455	7.6
174.02937	0.8
185.02467	0.9
186.03238	19.4
187.00386	15.4
187.03551	1.8
188.01068	2.5
188.04709	0.3
189.01617	0.2
197.02403	1.6
198.03232	17.7
199.03525	1.5
201.01958	0.8
202.02609	0.2
213.01936	4.5
213.03963	0.3
214.02724	17.1
215.03067	1.7
225.02116	0.2
229.01421	0.2
230.02214	0.2
241.01382	1.3
242.02206	100.0
243.02536	9.8
256.23602	0.4
257.04544	91.7
258.01718	4.7
258.04880	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.3
67.01913	0.5
69.03459	19.4
69.60145	3.9
70.03812	0.5
72.99310	1.8
75.00890	1.1
83.05028	0.5
85.02953	1.8
95.01371	0.5
95.05058	0.4
97.06602	70.9
98.06924	2.8
98.20693	0.9
99.04534	0.7
107.05020	0.6
111.04530	1.3
111.34492	0.4
113.06086	0.5
123.08192	4.1
125.06123	0.5
127.07729	0.5
149.06090	0.6
149.09720	0.8
151.00415	0.7
191.10806	1.3
225.10310	0.5
227.03525	0.6
237.00378	1.8
240.11249	0.5
255.03365	3.7
255.12376	100.0
255.23277	27.8
256.03766	0.7
256.12735	10.2
256.23688	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24813	0.2
59.01379	2.6
67.30300	0.2
71.39151	0.2
83.05027	0.2
90.42275	0.2
97.10359	0.2
134.03740	0.3
145.02980	0.5
158.03740	12.7
159.04065	0.8
161.02438	0.6
169.02977	0.5
170.03780	0.4
173.02460	1.4
174.03168	0.4
185.02438	2.6
186.03236	25.7
187.03586	1.7
189.01927	1.0
190.02519	0.3
197.02420	0.6
198.03230	7.1
199.03577	0.3
213.01955	2.7
213.05765	0.2
214.02722	16.1
215.03027	1.4
218.02171	0.3
225.01929	0.4
229.01411	0.7
229.26271	0.2
230.02174	0.2
241.01369	0.3
242.02205	100.0
242.99976	0.4
243.02522	9.3
256.23572	1.7
257.04541	77.2
257.16724	0.7
257.23831	0.5
258.02042	0.4
258.04868	8.5
271.59171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93439	0.4
59.01387	3.1
62.71983	0.4
64.27553	0.4
67.01875	0.7
69.03459	19.5
69.55149	4.3
72.99303	1.5
75.00888	1.4
83.05033	0.8
85.02945	2.2
97.06602	78.6
98.06943	3.0
99.04544	0.6
106.17004	0.4
111.04535	1.6
113.06087	0.6
123.08176	5.1
149.09764	0.6
151.00394	0.6
191.10764	0.9
197.09088	0.5
206.14456	0.4
236.41573	0.4
237.00441	1.8
255.03340	2.7
255.12376	100.0
255.23273	20.4
256.12729	8.9
256.23618	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47717	0.3
59.01392	0.9
61.06925	0.3
61.98833	100.0
62.98526	0.4
70.00129	0.5
70.00533	0.9
71.29758	0.3
75.24080	0.2
122.94999	0.3
134.69324	0.3
173.01100	0.4
183.89156	0.3
183.90906	0.3
199.70998	0.3
228.71820	0.3
229.15176	0.3
237.04678	0.3
255.23383	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	253.1078
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03448	61.6
59.01380	83.5
60.01713	1.1
61.14087	0.7
61.98837	1.8
69.03456	4.4
70.53168	1.6
71.01379	2.4
71.05034	3.2
72.99345	0.9
78.45576	0.9
85.02961	30.0
86.03326	1.4
89.02467	1.5
93.03484	0.9
93.07117	1.1
97.06605	1.2
101.02455	3.0
111.08177	11.5
113.73124	0.8
121.06615	1.6
123.08207	6.6
127.04044	1.5
127.07707	0.8
133.06665	1.5
139.07692	2.3
145.95793	0.8
161.04619	2.4
161.09741	2.0
163.11348	3.1
165.12871	26.7
166.13219	1.8
173.09731	1.4
181.12369	24.0
182.12677	2.7
191.10805	10.6
193.07166	10.8
202.21799	0.9
209.11847	70.5
210.12175	5.7
227.12825	1.7
253.10832	100.0
253.21700	2.2
254.11136	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	253.1079
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03448	58.6
58.03778	1.1
59.01381	41.3
69.03472	3.2
71.05014	3.4
73.02957	0.7
77.38839	0.6
82.17958	0.5
83.05043	0.6
85.02961	24.3
86.03293	1.0
93.07072	0.7
95.05028	1.5
97.02962	1.1
97.06608	1.2
97.68893	0.5
101.02473	0.9
109.06615	0.5
111.08167	9.3
121.06614	1.8
121.10237	0.9
121.72060	0.6
121.77692	0.5
123.08176	5.7
125.19244	0.5
127.04015	1.1
131.27274	0.6
133.06627	0.8
139.07675	2.1
145.10246	0.6
147.11847	1.4
149.09738	0.8
151.07678	0.9
161.04555	1.3
161.09724	1.4
163.11298	2.8
165.12866	23.5
166.13179	1.3
171.08275	0.5
173.09705	1.7
181.12352	22.5
182.12669	2.2
191.10785	10.6
192.11101	0.6
193.07210	6.1
209.11842	68.9
210.12140	4.4
216.59003	0.5
225.11086	0.6
227.12927	1.3
253.10814	100.0
254.11148	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	253.1079
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03450	23.9
59.01378	70.5
61.98820	0.7
67.00136	0.7
69.03462	2.8
69.82948	2.8
69.83350	2.0
71.01404	1.2
71.05049	1.6
73.02927	0.6
79.05559	1.4
81.03462	0.8
83.05046	0.8
85.02965	7.9
93.07111	6.7
93.20458	0.7
94.28674	0.7
95.05019	2.5
97.02952	6.8
97.06604	5.2
101.02451	2.3
107.05061	0.9
109.06592	1.4
111.08172	6.1
113.06131	0.8
121.06628	2.6
121.10235	5.2
123.08179	2.1
124.05319	1.9
133.06631	1.6
135.08148	1.4
139.07672	5.9
143.08693	1.0
145.10249	2.2
147.08194	0.7
147.11830	3.2
149.09737	2.8
151.07649	2.4
159.08163	1.1
161.04550	2.8
161.09796	1.2
163.11293	11.0
164.11676	1.3
165.12866	7.3
165.70505	0.8
166.13228	0.7
167.10779	1.6
173.09776	6.3
179.10759	2.0
181.12354	7.0
191.10794	44.3
192.11143	3.6
193.07199	10.2
195.10182	1.2
207.10229	0.9
209.11836	59.8
210.12129	4.6
227.12912	2.7
230.30719	0.7
253.10814	100.0
253.21657	1.2
254.11118	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19822	0.4
59.01382	100.0
60.01714	1.9
61.98833	59.2
62.99366	0.4
65.41588	0.4
69.97527	2.3
69.97943	0.8
71.01393	1.5
73.55228	0.4
78.95856	0.5
87.64913	0.4
87.71455	0.7
88.40152	0.5
89.02445	0.5
90.02618	0.5
101.02477	1.1
108.47321	0.5
120.44113	0.4
132.89079	0.5
137.02502	1.0
142.99927	0.7
150.03110	0.8
161.04602	0.7
193.03734	1.7
193.07117	2.4
242.79510	0.5
253.09499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03450	59.7
57.83917	0.9
58.03775	1.4
59.01381	98.4
60.01706	2.2
69.03456	2.6
70.75565	3.3
71.01389	2.0
71.05020	3.1
74.66065	1.0
85.02960	26.2
88.55031	1.0
92.03017	1.3
93.03451	1.1
95.05015	1.1
95.16243	1.1
101.02465	2.2
111.08176	11.3
121.06558	1.2
123.08160	4.9
139.07663	3.0
150.39635	1.0
161.04550	3.4
161.09795	1.7
163.11310	2.9
165.12866	27.0
166.13243	1.5
181.12360	22.9
182.12752	1.7
191.10765	10.1
193.07199	13.3
209.11844	69.6
210.12148	5.9
227.12865	1.5
237.88441	1.0
253.10820	100.0
253.21495	1.9
254.11154	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	251.1286
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
55.01872	3.7
57.03434	0.4
59.01375	1.4
62.15046	0.3
62.27337	0.2
70.41028	0.8
70.41445	0.4
71.01388	0.3
79.98384	0.2
83.05029	1.9
87.00871	0.3
87.04514	1.9
99.00903	0.7
101.02492	0.3
111.04560	0.4
116.00999	0.3
124.01665	0.4
139.04025	100.0
140.04359	4.5
153.05598	1.8
154.06377	1.6
167.03584	0.3
182.05846	25.3
183.06221	1.6
186.05347	16.3
187.05682	1.0
251.12865	55.8
252.13182	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	251.1652
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
52.52869	0.8
56.49437	0.8
57.03441	1.0
59.01384	8.0
60.15512	0.8
61.98838	1.0
70.94880	0.9
71.01377	1.4
71.04896	1.6
73.02950	3.4
75.38148	0.7
90.03209	0.8
95.05049	1.7
121.06618	1.2
134.64793	0.9
135.08110	1.2
137.09741	100.0
138.10083	5.8
149.07646	0.8
161.04471	1.0
163.11368	0.9
180.98569	0.9
205.15968	8.7
207.17554	51.2
208.17876	4.9
234.04114	0.9
247.05353	0.9
251.12794	2.1
251.16551	42.8
252.16945	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0718
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
52.66313	0.8
56.36075	0.8
57.03455	5.7
59.01380	100.0
61.24575	0.7
61.98824	8.6
66.64577	0.8
71.01412	0.8
71.70898	1.5
73.02973	1.5
76.90867	0.8
83.01351	1.0
85.02953	1.2
89.02462	0.8
93.03490	0.8
95.85293	0.9
99.00897	0.9
101.02486	1.7
103.01291	0.8
107.05042	50.7
108.05401	2.2
109.03046	0.9
112.07670	0.7
121.03027	1.1
121.06609	7.1
121.07334	1.0
125.06194	1.3
137.02420	0.9
139.04068	0.9
139.11847	0.7
147.08151	5.9
149.06082	9.8
150.06465	0.8
161.04582	3.1
165.09227	83.3
166.09613	5.3
191.05602	1.3
193.07179	12.0
209.08202	94.8
210.08517	7.6
230.78201	0.7
253.07167	34.6
253.10945	2.0
253.21533	1.4
254.07494	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	251.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31769	0.9
59.01382	8.7
61.98833	0.8
64.42653	0.8
65.67301	0.8
69.81564	5.2
71.01371	2.1
73.02926	0.9
73.04099	0.9
74.99125	1.4
76.04676	0.8
79.95759	1.4
80.96527	1.8
85.02943	1.9
85.06576	1.6
87.00890	13.0
97.20931	0.8
98.20609	1.2
101.02433	1.9
102.98601	2.1
111.70305	1.2
113.02460	0.8
120.99671	46.4
129.05594	14.6
131.51952	0.9
145.03284	1.0
163.04369	72.1
164.04651	2.4
188.03412	1.4
233.13805	1.4
234.15071	1.0
251.05936	100.0
251.14804	1.7
252.06262	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	251.1288
Annotation	TALAPEROXIDE C
Peak:m/z	Relative Intensity
55.01880	3.5
59.01390	1.4
64.95592	0.3
71.01390	0.5
74.93677	0.3
83.05034	1.3
85.02980	0.3
87.00891	0.3
87.04510	1.6
95.05032	0.3
99.00919	0.6
101.02462	0.4
111.00881	0.4
111.04540	0.5
124.01690	0.5
134.94818	0.2
139.04036	100.0
140.04384	4.2
153.05592	1.5
154.06375	1.1
163.00340	0.3
165.21198	0.3
182.05865	25.1
183.06244	1.6
186.05362	17.1
187.05724	1.0
207.17542	0.7
215.08072	0.3
251.12885	53.8
252.13199	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	249.1132
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
55.01883	0.8
59.01386	3.2
69.55491	1.6
69.55893	3.6
79.01903	10.7
81.03456	1.0
87.00882	1.5
88.69001	0.5
93.03508	0.5
95.01415	1.2
97.02957	8.3
111.00907	2.0
119.04949	0.7
123.00916	0.6
124.01668	2.2
125.02547	0.5
133.02979	0.9
137.02528	0.6
151.00414	6.7
151.04033	7.7
152.04820	50.7
153.05153	1.9
161.02469	1.9
163.03998	0.7
165.37675	0.6
177.12749	0.7
179.03551	0.9
180.04308	59.6
181.04636	3.4
184.03789	39.0
185.04073	2.2
193.08820	0.8
232.13397	1.7
249.11311	100.0
250.11658	9.4
250.14490	4.1
256.67151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1126
Annotation	Hyperolactone A
Peak:m/z	Relative Intensity
54.31966	0.1
55.01885	0.3
60.36964	0.1
65.03967	0.6
67.01900	2.2
68.99792	0.2
70.51637	0.1
70.52026	0.5
71.05008	0.4
73.02945	0.6
75.85800	0.1
79.01896	1.1
79.05534	1.5
81.03492	0.2
81.07125	0.2
91.01914	0.6
91.05545	0.2
97.02957	0.4
97.06608	0.4
99.08183	1.3
101.06087	1.0
103.05566	0.3
106.04273	0.2
107.05068	0.2
109.02972	0.3
119.05032	0.8
120.05829	0.3
121.02991	0.2
121.06614	7.8
122.03761	0.1
122.06915	0.4
123.04546	5.3
123.08247	0.1
124.04893	0.3
125.06107	14.7
125.34808	0.1
126.06457	0.9
135.04550	0.5
135.08243	0.2
136.05310	0.6
137.06107	3.8
137.09750	2.0
147.04547	1.9
147.08296	0.1
148.05272	0.4
149.02402	0.7
149.09738	2.5
149.10851	0.2
154.88342	0.1
161.06082	0.2
163.04028	0.9
164.04785	0.9
165.05592	12.7
166.05898	1.1
168.39392	0.2
171.08186	0.2
173.06075	0.6
174.06828	0.4
175.07689	0.2
177.02019	0.7
177.05635	0.2
177.09126	0.2
185.09792	0.4
187.07719	0.2
187.11237	0.8
188.08440	0.8
189.05681	0.3
191.03522	4.4
192.04179	0.7
193.08604	0.1
203.10788	7.4
204.11159	0.7
205.05042	0.4
205.12352	10.9
206.12694	1.1
219.06685	0.3
220.07442	0.2
221.11864	1.6
231.10278	5.1
232.10635	0.5
242.48750	0.2
248.97342	1.7
249.11324	100.0
250.11656	11.4
255.29500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0974
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
59.01385	0.4
60.90893	0.2
61.66142	0.2
61.98806	0.2
63.02353	0.2
67.83034	0.2
69.89406	0.9
69.89812	0.4
79.95713	0.4
85.03094	0.2
88.59912	0.2
91.05528	0.3
97.90272	0.2
101.06080	0.8
109.06603	0.4
117.03486	1.6
118.04330	0.2
119.05031	1.6
125.06046	0.3
132.98096	0.2
133.03006	0.3
135.04556	2.5
145.02972	5.2
146.03345	0.5
147.00900	0.2
148.01663	0.4
148.05344	0.3
161.02475	0.9
162.03252	5.8
163.04028	24.5
163.49904	0.2
164.04401	1.7
184.00198	2.8
186.95549	0.5
189.01939	3.2
189.05527	0.4
190.02718	2.1
201.09195	0.3
203.03630	0.2
203.10783	0.4
204.04291	0.8
207.02939	1.1
208.03397	0.2
214.06316	0.3
217.05070	0.7
218.05844	0.9
219.10260	3.1
220.10628	0.3
222.01657	0.4
229.08720	2.5
230.09030	0.3
247.09741	100.0
248.07895	2.2
248.10089	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.134
Annotation	Mitchellene C
Peak:m/z	Relative Intensity
50.99408	0.8
58.47159	0.7
59.01372	5.1
61.98831	2.9
65.93305	0.7
67.01892	1.8
69.03455	1.4
71.05026	95.7
71.71739	1.5
72.05370	2.6
83.01321	0.7
83.04475	0.7
83.04994	0.8
97.06583	1.1
98.14260	0.8
100.77836	0.8
109.05648	0.7
111.04553	1.4
111.08200	0.9
123.08171	1.1
131.08679	2.7
133.06606	1.3
134.88115	0.8
145.10246	2.8
146.92238	0.9
147.08217	0.7
147.11797	1.6
149.09753	2.3
152.44983	0.7
159.11804	1.2
173.08168	0.9
173.09796	0.9
175.07651	2.1
175.11354	1.2
180.04318	1.0
186.95610	2.6
187.11267	2.2
201.12859	1.8
203.14421	9.8
205.05063	1.1
205.08791	0.9
229.12279	1.5
229.98929	0.8
247.06175	2.2
247.13393	100.0
248.13692	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	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.03449	1.5
58.02977	24.4
59.01368	1.6
59.03312	0.7
69.65682	1.5
69.66083	3.8
69.66434	0.7
70.02986	16.3
72.00924	4.1
72.04567	4.8
74.02483	100.0
75.02831	0.9
83.05064	0.7
96.96030	1.5
98.02493	22.5
101.38258	0.6
116.03567	30.7
116.05074	36.6
117.03861	0.8
117.05405	1.7
127.11243	0.6
130.06660	4.8
139.11333	1.7
142.06647	7.3
146.93387	0.7
157.49994	0.7
159.09286	6.3
160.02605	0.8
183.09302	1.4
186.05612	2.1
201.10297	4.6
201.11417	4.0
203.08278	86.9
204.08644	7.0
209.11829	7.1
210.12228	1.1
215.27008	0.7
227.03595	1.1
227.12868	1.5
245.04472	3.7
245.09320	99.4
246.09648	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	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
58.00608	2.7
59.01381	75.0
68.06752	2.1
69.86590	12.2
71.01398	25.1
78.95909	28.3
80.10928	2.1
83.01365	3.2
87.00893	4.3
89.02451	38.8
94.92518	4.8
95.35818	2.0
96.96983	3.2
99.00866	2.6
101.02462	74.3
102.02767	3.0
105.94422	2.0
113.02474	5.3
117.37752	2.4
119.03518	100.0
120.03875	3.8
131.03503	2.9
146.37291	2.3
149.04610	5.1
152.99599	22.6
171.00653	11.8
179.92331	2.0
191.05614	3.3
209.06706	33.1
210.07053	2.4
245.04335	65.5
246.04681	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Torachrysone
Peak:m/z	Relative Intensity
57.03325	2.8
57.03645	1.1
59.01269	0.4
59.01531	0.2
63.02272	0.5
65.00198	2.0
65.00571	0.5
66.43856	0.1
70.02739	0.9
71.04922	0.2
74.16615	0.2
80.02544	0.6
80.03011	0.3
81.03333	3.8
81.03854	0.5
83.01259	1.3
83.04948	0.2
85.02882	0.2
85.06468	1.1
89.83386	0.2
93.03340	1.1
95.01304	0.3
95.04905	3.9
95.11773	0.2
96.05297	0.3
96.95886	1.7
97.02826	2.1
97.06474	0.2
107.01276	2.9
108.02081	0.5
109.02835	7.1
110.03215	0.2
115.05460	0.3
117.03481	1.2
119.04961	0.2
121.02966	3.0
122.03613	1.0
123.04536	6.1
123.05367	0.2
124.04759	0.3
125.02332	0.3
127.07548	0.4
130.08655	0.4
131.05052	0.9
133.02843	0.5
133.06477	0.6
133.07355	0.2
135.04553	2.4
137.02348	0.2
137.09644	0.4
139.04013	1.7
139.07578	0.3
143.04953	0.6
145.02979	1.0
146.03760	2.4
147.04539	2.5
149.02449	2.0
149.06041	0.2
150.03131	0.7
151.00383	4.4
151.03899	0.3
152.00674	0.3
155.10757	0.4
157.06595	1.8
158.03778	1.1
159.04529	10.7
159.08061	0.3
160.05318	3.3
161.02466	3.3
161.06096	10.9
162.03279	2.2
162.06447	0.8
163.03824	0.4
165.05568	0.3
169.15924	0.2
172.05264	0.3
173.02361	0.7
173.04800	0.2
173.06091	2.6
174.03223	2.2
174.06854	1.0
175.02539	0.4
175.04022	7.0
175.07657	7.1
176.04309	0.5
176.07922	0.7
177.05673	0.8
181.06557	0.2
181.08705	0.4
183.04523	0.9
184.05315	0.9
185.06082	2.3
186.06766	0.4
187.04015	13.7
188.04794	12.2
189.05167	0.9
199.07643	2.9
199.09767	2.1
200.04849	0.3
201.02005	0.4
201.05580	3.7
201.09322	0.3
202.06348	5.5
203.07143	32.6
204.07513	3.1
209.06157	0.3
210.07750	0.4
212.04788	2.7
213.05127	0.3
217.05148	0.9
217.08684	1.7
227.03503	0.6
227.07133	6.1
228.07553	0.7
229.05159	0.2
230.05820	1.9
231.06190	0.3
245.04585	15.3
245.08170	100.0
246.04881	1.7
246.08513	12.1
253.32367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45269	0.6
63.96229	0.8
64.97019	5.1
66.97118	0.5
72.00912	10.5
79.95740	24.6
80.96525	13.7
94.54226	0.5
95.97626	58.2
103.05560	0.6
118.06649	25.8
119.06969	1.3
147.04546	38.2
148.04900	3.2
154.97496	0.7
162.05638	1.3
164.07185	82.7
165.07518	5.6
182.02736	0.9
198.02342	1.9
222.80692	0.7
226.01778	5.0
244.02838	100.0
245.03117	7.2
245.08102	1.3
258.48837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01380	0.8
61.98833	1.7
70.46462	0.3
71.05016	0.5
71.71533	0.3
72.99313	0.7
73.02937	0.4
79.99183	0.2
87.00916	0.2
97.02949	0.5
99.00894	2.3
109.06608	0.3
110.02506	0.3
111.00887	0.4
125.09721	0.8
135.00900	1.1
137.65634	0.3
143.05066	0.8
145.02998	0.6
147.04453	0.3
153.12900	0.8
155.14417	0.7
159.04524	0.8
163.04074	0.6
163.11333	1.3
169.12263	0.5
171.04530	2.8
171.13754	0.2
173.02443	0.5
181.12364	7.7
182.12650	0.8
187.04008	2.5
194.84108	0.3
197.11853	1.4
198.03239	0.4
199.04092	1.3
199.13409	25.4
200.13716	2.4
207.10262	4.8
208.10625	0.5
214.02750	1.3
215.03482	2.5
216.03860	0.3
225.01988	0.4
225.11324	9.3
226.11652	1.1
229.07472	1.1
242.02293	1.3
243.02985	100.0
243.12367	54.7
244.03326	11.4
244.07254	0.4
244.09814	3.6
244.12706	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19416	0.2
59.01368	0.6
61.98829	6.1
67.01891	0.3
71.01366	0.2
71.71986	0.3
89.54318	0.2
93.03352	0.2
99.00917	0.3
99.92597	0.7
104.54651	0.2
110.02474	0.4
111.00893	0.3
119.05010	0.2
125.09735	1.2
169.12352	0.4
183.13889	0.5
193.12424	0.3
197.90642	0.7
199.03998	0.3
211.11412	0.4
211.13399	6.2
212.13698	0.8
215.03395	0.3
225.15057	0.2
243.02979	2.6
243.15997	100.0
243.89914	1.3
244.03560	0.3
244.16344	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	243.16
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
59.01370	0.6
61.98830	2.3
66.69295	0.2
67.01883	0.3
76.98740	0.2
95.23126	0.2
98.20612	0.7
99.92577	0.3
110.02512	0.2
111.00850	0.4
122.28358	0.2
125.09742	0.6
135.53351	0.2
169.12346	0.3
182.91151	0.2
183.13846	0.3
185.09619	0.2
197.90733	0.3
198.24570	0.2
199.04041	0.3
211.13431	4.5
212.13733	0.6
225.02365	0.2
227.02200	1.3
229.79671	0.2
243.03026	2.2
243.16006	100.0
243.89922	0.4
244.03003	0.2
244.16348	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.62929	0.8
59.01381	100.0
60.01711	1.5
61.98836	4.5
67.29778	0.7
67.55353	0.7
68.40857	0.7
69.03461	1.5
69.56464	1.3
69.56872	5.4
87.00879	2.6
98.20697	1.4
106.39020	0.7
107.05027	1.1
111.00854	0.9
113.25525	0.7
125.06057	0.9
139.11314	17.3
140.11697	1.3
155.07179	2.9
163.04054	0.9
163.11281	2.6
171.04599	1.0
181.12364	35.8
182.12675	3.4
183.10295	31.4
184.10654	2.7
188.24567	0.8
195.03125	0.8
199.03970	2.4
199.13420	10.2
200.13860	0.8
201.01944	1.1
207.10379	0.9
225.11322	8.7
226.11725	1.1
243.00400	1.3
243.02983	27.4
243.06837	1.9
243.12372	83.6
243.90012	0.8
244.03310	3.5
244.12682	10.5
262.56244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.13395	0.2
56.68382	0.2
56.99590	0.3
56.99837	0.4
57.03447	2.6
58.00603	0.5
58.54877	0.2
59.01375	0.3
59.98531	0.3
60.99319	0.3
61.98819	0.5
69.96626	0.2
70.73079	0.5
70.73413	0.2
72.99315	46.8
73.99659	0.7
75.00880	23.0
76.01217	0.2
79.95751	0.4
85.02960	0.7
87.04530	0.5
91.05544	0.7
93.03476	0.2
95.97617	0.5
96.96021	0.3
97.06598	0.3
97.95944	0.2
102.45253	0.2
108.61150	0.2
109.06618	0.3
115.05601	0.2
116.37918	0.2
119.05048	0.8
121.02988	0.2
123.08157	0.4
123.10776	0.2
129.03543	0.2
129.09259	0.3
130.08736	0.3
131.05060	0.7
133.02972	0.4
135.04552	0.5
137.09766	0.3
139.07635	0.3
140.59761	0.2
143.05028	0.6
145.06671	0.2
147.04530	0.3
148.47395	0.2
151.11261	0.2
155.05081	1.8
156.03203	0.4
156.05270	0.2
157.03018	1.1
157.06671	0.3
159.04562	0.5
163.04022	1.8
164.07164	0.5
169.12369	0.4
171.01241	0.2
171.04504	0.5
172.05287	0.2
173.02397	0.2
173.06078	0.4
175.04045	1.2
179.10739	0.4
182.03796	0.2
183.04358	0.2
187.04001	0.4
196.43791	0.2
198.03189	0.5
199.04027	4.9
200.04538	1.1
201.01903	0.4
201.05580	1.6
202.05917	0.2
215.03593	0.4
215.07111	0.3
216.28041	0.2
242.02281	0.2
243.02997	14.7
243.07050	3.6
243.12367	100.0
244.03239	1.9
244.07085	0.3
244.12709	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	243.0663
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
59.01372	3.8
61.98833	51.5
67.01891	3.0
68.14834	1.0
68.99815	1.2
69.03460	53.2
69.92542	1.0
70.03792	1.2
71.71140	2.1
79.01915	3.3
81.03451	4.8
85.02959	4.6
95.01389	13.2
97.02964	27.6
99.92599	6.6
107.01414	10.9
108.02193	99.1
109.02997	30.7
110.02534	2.2
110.03289	2.2
111.00887	3.8
119.22462	1.0
121.02970	23.1
122.03265	1.0
123.00910	12.4
125.02463	53.6
126.02790	3.1
126.23612	1.0
135.00908	75.6
136.01225	4.3
137.02467	48.6
137.03358	0.9
138.02820	2.7
143.05034	1.2
151.00383	3.0
152.01176	100.0
153.01567	6.3
163.11253	1.4
169.06656	7.3
170.06998	1.1
171.04459	1.2
176.59586	1.0
181.15800	1.2
197.06090	48.6
197.90645	6.0
198.06438	6.4
199.03922	1.5
199.09734	2.6
207.10255	2.9
211.16927	1.0
213.05580	10.7
214.05949	1.6
215.07172	9.7
216.07524	1.4
225.11229	3.0
243.02916	15.4
243.06599	65.2
243.12071	5.1
243.15982	9.9
243.19629	1.5
243.89932	10.1
244.03358	2.1
244.06941	7.4
244.16234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46362	0.1
61.98836	0.3
65.00356	0.3
69.03452	0.2
69.78761	0.9
73.54220	0.1
73.90192	0.1
85.06626	0.1
93.03506	0.7
94.69368	0.1
95.01358	0.2
107.01408	0.9
113.43114	0.1
115.05550	0.4
117.03478	0.9
123.00851	0.2
125.02528	0.1
127.05567	0.1
129.03470	0.3
131.05049	0.5
133.02956	0.5
135.00906	0.4
135.82645	0.1
143.05052	5.3
144.05409	0.3
145.02957	0.5
147.04533	0.2
147.29333	0.1
154.04225	0.2
155.05048	0.9
157.02917	0.2
160.01648	0.2
161.06049	0.2
170.03751	0.3
171.04549	3.1
172.04872	0.3
173.02481	0.7
174.03012	0.2
175.04018	0.6
177.22989	0.1
182.03738	0.2
187.04054	0.3
198.03227	1.3
199.04024	10.6
200.04382	1.0
201.01971	2.7
202.02333	0.2
215.03406	0.4
242.02246	0.4
243.02980	100.0
244.03317	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	243.0299
Annotation	beta-L-Fucose 1-phosphate
Peak:m/z	Relative Intensity
55.83722	0.1
61.98811	0.2
62.01452	0.1
63.02410	0.4
63.92111	0.1
65.00315	0.6
66.35443	0.1
69.03450	0.2
69.78208	0.9
78.70500	0.1
80.98194	0.1
87.49828	0.1
97.02929	0.2
98.20615	0.2
101.55318	0.1
107.01405	1.2
108.02200	0.4
109.02917	0.1
109.19804	0.1
115.05554	0.5
117.03426	0.2
125.02435	0.2
127.05582	0.2
129.03488	0.1
129.95558	0.1
131.05043	0.4
133.02975	5.4
133.03992	0.3
134.03337	0.2
135.00900	0.5
143.05051	2.4
144.05389	0.1
145.03008	0.1
145.06615	0.2
147.04543	0.7
152.01167	0.4
153.03497	0.2
154.04253	0.3
155.05032	1.5
157.02985	1.4
159.04645	0.1
161.06068	0.4
170.03725	0.2
171.04533	4.4
172.04897	0.3
173.02440	1.0
175.04050	1.3
182.03758	0.3
186.94727	0.1
187.03998	0.5
189.05560	0.3
198.03267	1.2
199.04022	8.9
200.04332	0.7
201.01970	1.4
215.03516	0.9
243.02975	100.0
244.03313	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	242.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
57.02222	0.9
57.03432	2.0
59.01377	6.8
61.98830	46.6
69.03457	1.8
71.01357	1.7
71.70827	1.3
72.99295	1.2
78.95920	1.8
82.02994	14.3
83.01393	2.8
84.00907	1.0
84.04544	2.8
85.02934	1.2
85.06606	5.7
87.00884	2.7
93.03481	1.8
95.05017	1.7
96.96002	2.0
96.96941	1.1
97.02965	3.6
98.02480	2.8
99.00874	1.7
99.04520	1.2
100.04052	4.1
104.28065	0.9
107.05038	18.8
107.05711	1.8
108.04505	1.0
109.02962	1.1
109.06541	1.0
110.02483	3.1
110.06112	2.9
111.00945	1.1
111.03288	1.5
111.04524	1.5
112.04068	12.1
112.07706	50.2
112.98837	3.4
113.08015	1.9
120.03223	0.9
122.06121	1.5
124.04066	4.9
124.07690	6.9
125.06095	4.2
126.05630	1.5
126.09262	3.4
128.03554	2.3
134.06110	2.9
136.07698	12.8
137.02383	1.4
137.06097	3.9
138.05623	2.0
140.07199	20.8
142.05109	2.9
142.99875	4.0
145.06166	3.2
150.05618	1.5
152.07213	2.4
153.05583	2.9
154.08743	4.7
155.07143	3.4
165.01962	4.7
168.06691	1.4
170.08224	11.1
173.00928	5.7
180.04201	1.7
180.06670	3.0
193.06026	1.0
195.06645	2.9
196.06169	19.8
197.06435	1.5
198.07719	36.1
199.04050	1.1
199.08015	3.4
205.03520	1.9
210.98296	0.9
214.07213	11.7
238.82611	1.1
242.06693	100.0
242.22072	1.8
243.03122	5.4
243.06924	6.8
243.09154	1.7
243.12271	2.0
243.15984	1.3
257.68219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20847	0.8
61.98834	100.0
71.71185	1.1
71.71568	1.3
78.95908	0.8
86.68863	0.8
101.16425	0.7
114.03503	0.8
118.11393	0.7
159.69023	0.8
249.38847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27336	0.2
59.01382	0.4
61.98829	3.9
67.01888	0.3
70.50365	0.2
71.28758	0.3
71.29083	0.2
73.20206	0.2
73.88016	0.2
74.94270	0.2
91.01908	0.5
96.38906	0.2
100.60963	0.2
110.02515	0.2
111.00893	0.3
113.03997	0.2
114.04745	0.3
123.14064	0.2
128.41628	0.2
130.04239	0.8
134.03821	0.5
135.00928	0.9
141.03596	0.3
145.02965	1.3
157.02939	0.8
158.03748	31.4
159.04085	1.9
160.01704	0.3
161.02414	1.4
169.03024	1.4
170.03745	0.6
173.02446	2.7
174.03156	0.7
175.03795	0.2
176.04854	0.3
177.01935	0.4
179.08844	0.2
180.68941	0.2
185.02458	7.8
186.03235	42.3
187.03571	3.5
189.01949	2.0
190.02664	0.4
197.02414	1.2
198.03229	8.5
199.03607	0.6
213.01962	4.7
214.02722	20.0
215.03044	1.8
217.01486	0.4
218.02216	0.5
225.01978	0.6
241.01447	0.5
241.21902	0.3
242.02211	100.0
242.17523	0.5
243.02548	11.4
243.16002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.6
59.01344	2.1
59.14301	0.6
61.98835	24.6
66.03471	0.5
67.63828	0.5
68.53259	0.5
69.90052	0.5
70.45553	1.1
70.45904	1.8
71.01370	0.8
72.50771	0.5
87.00895	0.6
98.20631	0.6
101.77177	0.5
103.92012	2.9
116.02612	0.6
117.03449	0.8
125.06065	1.4
145.02992	3.9
149.91356	0.7
169.02948	1.6
170.03767	25.0
171.04051	2.2
173.02463	3.9
179.05592	0.6
181.07327	1.1
181.16019	6.2
182.03754	19.4
183.04080	1.5
185.02376	0.7
197.00912	0.6
197.02501	2.0
197.11783	0.8
197.15565	1.4
198.03236	20.2
199.03641	2.2
202.26271	0.5
213.91646	1.8
224.16592	1.7
225.14961	9.4
226.02730	79.0
227.03070	7.0
241.05078	100.0
241.14471	10.9
241.18028	1.3
241.21695	3.4
242.02745	1.0
242.05417	11.9
242.15121	1.1
242.17625	31.2
243.16026	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	241.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.3
59.01364	0.8
61.98832	6.2
71.72208	0.4
78.12973	0.3
86.20817	0.3
87.58537	0.2
89.20754	0.3
102.55625	0.2
103.92011	0.9
110.97464	0.2
117.03468	1.1
121.02943	0.3
125.06120	0.4
127.07722	0.3
132.36447	0.3
133.81935	0.2
141.03511	0.4
142.04234	0.9
145.02968	3.4
147.53998	0.2
158.03717	0.4
169.02948	1.7
170.03755	29.9
171.04103	2.6
173.02470	3.4
174.03001	0.4
181.07217	0.5
182.03745	20.5
183.04051	1.9
186.03223	0.6
188.04878	0.4
197.02431	2.1
197.15468	0.4
198.03235	25.3
199.03563	2.5
201.01917	0.4
213.91600	0.3
214.02724	0.3
226.02721	83.2
227.00926	0.5
227.03065	7.5
241.05066	100.0
241.14423	1.0
241.18019	0.7
241.21651	1.3
242.02264	1.9
242.05399	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	241.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77980	0.4
54.35153	0.5
59.01371	1.3
61.98833	11.2
69.44158	5.5
70.39985	0.4
71.05037	0.5
98.36208	0.5
103.92034	1.5
115.76623	0.5
117.03503	1.5
121.02975	0.6
141.03513	0.5
142.04282	1.1
145.03004	4.3
149.91351	0.7
158.03784	1.0
169.02985	1.9
170.03763	33.0
171.04065	2.7
173.02452	4.3
181.07310	0.6
182.03752	21.9
183.04057	1.8
186.03238	0.6
197.02513	2.8
198.03249	28.2
199.03586	2.9
201.02017	0.8
213.91681	0.9
220.62344	0.5
226.02731	89.5
227.03062	9.2
241.05075	100.0
241.21748	1.5
242.02307	1.6
242.05400	10.9
248.35295	0.6
254.85008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65212	0.9
59.01381	100.0
60.01700	2.0
61.98817	1.4
68.26030	1.0
69.03474	1.1
70.53021	2.1
70.53391	1.8
71.01386	15.4
71.76697	0.9
73.02967	2.1
75.00859	1.4
78.95906	2.9
83.01392	1.3
85.02943	7.1
87.00883	18.0
89.02460	13.4
92.95992	1.5
95.01378	1.1
96.96020	1.4
97.03011	2.1
99.00890	5.1
101.02457	6.2
104.03555	1.0
105.01934	3.0
108.93764	1.0
110.92601	1.0
113.02455	3.1
117.01965	4.3
119.03513	4.1
125.02454	3.0
129.01906	1.1
131.03500	1.6
136.94086	1.3
141.01996	2.7
149.04655	1.3
157.98643	1.7
159.03033	1.8
161.04572	16.4
165.04083	8.0
178.94336	1.1
179.05630	85.7
180.05931	5.8
185.98158	31.2
186.98308	4.7
203.00827	10.7
203.99200	13.3
204.00941	1.4
204.99336	1.6
221.06656	3.2
238.98488	3.4
239.07802	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	238.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27761	0.1
54.30063	0.1
54.51415	0.1
55.01648	0.1
55.01892	0.4
57.03448	0.2
59.01381	7.2
59.75052	0.1
60.40633	0.1
61.98838	0.4
68.99804	0.2
69.03476	0.1
70.33903	0.1
71.01393	0.5
71.71990	0.2
73.02963	0.1
79.01888	0.7
81.03484	0.1
85.02951	0.4
87.00872	1.3
89.02442	0.1
94.27532	0.1
95.01409	0.2
97.02950	0.3
99.00899	0.3
101.02493	0.2
101.46896	0.1
109.02966	0.7
109.06603	0.2
111.00912	0.5
111.04561	0.2
113.02455	0.2
117.01967	0.3
118.03004	0.1
122.03685	0.1
123.00959	0.3
123.08213	0.2
124.01677	2.4
125.02467	4.0
125.06084	0.2
126.02814	0.2
136.01685	0.1
137.02473	1.5
137.06161	0.2
139.00327	0.3
141.01942	0.1
148.67096	0.1
149.06151	0.3
151.00385	2.6
152.01187	0.6
153.01959	10.5
154.02751	7.9
155.03116	0.4
156.00734	0.2
161.04616	1.2
161.06006	0.2
163.04016	0.6
164.04771	0.1
164.08406	0.2
165.05585	0.2
166.02670	0.2
167.03548	0.3
177.05609	1.7
178.99940	0.3
179.05640	6.5
180.00662	7.1
180.33784	0.1
181.01453	4.5
181.05067	4.5
182.02229	28.1
183.02559	1.9
191.03508	0.4
191.07123	0.2
192.07948	0.5
193.08644	0.2
195.02991	0.5
195.06633	4.5
195.13956	0.2
196.03723	0.2
196.07022	0.4
205.05101	0.6
209.04597	2.2
209.08182	1.6
210.05376	1.0
210.08450	0.1
220.07413	1.5
221.08136	2.0
222.08487	0.2
223.02754	0.3
223.06123	2.3
237.07704	1.1
238.08464	100.0
239.08820	9.9
239.12724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43353	0.1
55.01891	0.4
56.32602	0.1
58.79957	0.1
59.01378	2.7
59.50313	0.1
64.00803	0.1
68.99808	0.2
71.01401	0.1
79.01880	0.8
81.03442	0.2
85.02966	0.1
87.00899	0.4
97.02961	0.3
101.02442	0.1
108.02193	0.2
109.02983	0.9
109.06617	0.2
111.00889	0.4
123.00965	0.2
123.04510	0.1
123.08172	0.2
124.01688	2.5
125.02470	3.9
125.06088	0.1
126.02851	0.1
135.04504	0.1
136.01747	0.1
137.02483	1.4
137.06097	0.1
138.02823	0.1
139.00383	0.3
147.04454	0.1
149.06090	0.5
151.00394	2.6
151.07597	0.1
152.01181	0.5
153.01959	11.0
154.02742	8.9
155.03072	0.5
156.00641	0.2
161.04572	0.5
161.05962	0.2
163.04019	0.7
164.08430	0.2
165.05551	0.1
166.02702	0.2
167.03589	0.5
177.04057	0.2
177.05589	1.8
178.05975	0.2
178.99889	0.2
179.05644	2.4
179.07175	0.2
180.00667	7.1
181.01451	4.3
181.05072	4.7
182.02228	29.6
183.02560	1.9
191.03534	0.3
191.07158	0.2
192.04126	0.1
192.07959	0.7
193.08566	0.2
195.02950	0.2
195.06641	4.8
195.13898	0.1
196.03780	0.3
196.07019	0.3
205.05074	0.7
209.04581	2.2
209.08162	1.7
210.05392	1.0
210.08586	0.3
219.06740	0.1
220.07405	1.5
221.08192	2.2
222.08513	0.2
223.06104	2.5
224.06374	0.2
237.07704	1.0
237.09911	0.1
238.08463	100.0
239.08815	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	237.1133
Annotation	Sporothriolide
Peak:m/z	Relative Intensity
55.01879	0.4
57.03440	0.8
59.01372	1.7
61.98834	1.9
64.84022	0.3
65.00315	0.3
65.32494	0.3
71.01379	0.6
71.05019	3.0
71.42762	0.3
71.43089	0.4
73.02966	0.4
77.03977	0.4
79.01897	2.6
81.03472	0.3
83.01368	0.3
83.05024	0.4
85.02943	0.5
93.03435	0.6
95.05035	12.6
96.05384	0.5
97.02966	2.1
97.06613	0.6
97.56104	0.3
98.03318	0.3
101.02442	0.4
109.02948	0.4
111.04525	0.3
113.09754	0.9
115.07642	0.6
118.03014	0.3
121.02959	1.9
122.03761	1.3
123.08167	0.4
125.02466	0.3
135.04539	1.1
135.08148	0.9
136.05290	0.8
137.09729	1.7
139.04034	13.9
139.07672	5.0
140.04346	0.6
149.02405	0.3
149.09727	0.5
151.11293	4.2
159.03061	0.3
165.01907	2.5
175.11261	0.4
176.04767	1.2
178.10036	0.9
179.10716	0.5
193.12344	40.4
194.12698	4.0
209.08099	0.6
219.10246	2.1
237.11316	100.0
238.08223	0.4
238.11653	10.6
244.36928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
50.92859	0.4
57.03444	1.5
58.43441	0.5
58.90611	0.4
59.01389	1.2
71.01392	0.7
71.40716	0.6
71.41055	0.6
75.00861	1.2
78.95921	5.1
79.22516	0.4
82.59930	0.5
85.02956	1.9
87.00888	100.0
88.01234	1.9
89.79595	0.4
121.25104	0.5
129.01964	12.2
130.02324	0.8
134.39374	0.4
136.05934	0.3
137.05911	0.5
164.73506	0.4
199.72748	0.4
219.05159	0.7
237.06168	7.6
238.06575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01381	1.1
67.60191	0.1
71.01377	0.7
71.02803	0.4
75.00878	0.5
78.59669	0.2
78.95913	3.5
85.02972	1.2
87.00887	100.0
88.01227	2.4
89.02372	0.2
101.02493	0.2
109.05297	0.1
111.00910	0.3
114.28254	0.1
124.95623	0.1
129.01965	13.6
130.02274	0.5
130.55531	0.1
141.63229	0.1
159.03038	0.2
176.23969	0.1
194.93814	0.3
219.05156	0.7
226.77480	0.1
237.06160	7.0
238.06528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
59.01389	1.2
59.17667	0.4
67.01920	0.7
79.01894	10.4
83.01395	10.5
83.01881	0.8
99.43713	0.4
121.58345	0.5
124.01710	0.6
125.02467	0.6
126.41933	0.4
137.02460	15.0
138.03247	79.2
139.03596	4.3
151.00444	0.9
161.69453	0.4
165.01901	0.5
166.02730	79.5
167.03093	4.9
170.02226	30.7
171.02591	1.7
177.05513	0.5
193.08728	0.6
205.04950	0.6
213.72923	0.4
219.41710	0.4
229.50514	0.4
235.09755	100.0
236.10107	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	235.097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	0.7
67.01883	2.3
71.72139	0.3
73.02940	0.3
79.01505	0.2
79.01875	1.0
79.05529	1.1
84.86208	0.2
85.06599	1.5
87.04510	1.0
91.01933	0.5
97.06588	0.5
103.05546	0.5
109.02927	0.3
111.04534	14.2
112.04843	0.5
119.05031	0.8
121.03033	0.3
121.06610	7.3
122.06950	0.5
123.04539	5.9
123.08180	2.2
124.04843	0.6
132.13138	0.2
135.04541	0.3
135.08180	2.6
136.05313	0.5
136.08531	0.3
137.06126	3.3
144.49156	0.2
147.04518	1.6
149.02437	0.6
155.46988	0.2
163.04044	1.3
164.04781	0.9
165.05595	12.3
166.05930	0.9
169.25398	0.2
171.08171	0.4
173.06094	0.6
173.09709	1.0
174.06892	1.0
176.08499	0.2
177.02002	0.6
189.09233	10.3
190.09494	1.3
191.03520	3.5
191.10794	11.4
192.04073	0.3
192.11130	1.2
202.06390	0.3
207.10266	1.6
217.06636	0.4
217.08699	6.4
218.09108	0.7
235.09758	100.0
236.10092	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	233.1546
Annotation	Confertifoline
Peak:m/z	Relative Intensity
52.13578	0.4
59.01091	0.6
59.01381	11.7
67.43789	0.4
71.71959	0.4
72.79749	0.3
93.03465	2.4
111.04521	0.6
157.50999	0.3
173.04608	2.8
233.15471	100.0
234.15822	13.7
244.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
59.01364	0.4
63.58607	0.2
77.03972	0.8
78.13207	0.2
79.01893	1.0
79.05543	1.2
97.02953	0.5
101.06088	0.5
107.05045	5.3
107.62669	0.2
108.02193	0.6
108.05342	0.3
109.02977	0.5
109.06610	0.2
111.04541	0.7
113.72566	0.2
117.07153	0.3
121.02963	0.7
122.03738	1.2
123.00941	0.2
123.04548	13.6
124.04060	0.2
124.04871	0.8
125.02522	0.2
125.06107	13.0
126.06437	0.5
133.06622	0.2
135.04561	0.3
135.08206	0.2
137.02429	0.5
137.09724	0.3
145.22887	0.2
149.02473	3.2
150.03233	2.0
151.04030	22.1
152.04362	1.4
159.04567	0.4
162.03273	0.4
168.48375	0.2
171.08090	0.4
173.06160	0.4
173.09737	1.3
174.06900	0.7
177.01944	5.8
177.05432	0.2
178.02534	0.6
178.06393	0.4
179.03471	0.3
179.07159	0.3
180.04291	1.1
187.07684	0.3
189.09235	1.4
191.07213	0.2
191.10812	1.5
199.07748	0.3
202.06383	0.2
205.05136	0.4
207.10275	6.2
208.10649	0.6
217.08701	8.7
218.09053	0.8
229.66573	0.2
235.09760	100.0
236.10129	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	233.0819
Annotation	Vidalenolone
Peak:m/z	Relative Intensity
57.03458	0.3
59.01380	19.3
60.99312	0.3
63.02397	1.0
65.00329	0.5
66.19469	0.2
67.01888	0.7
69.03458	0.2
69.84429	0.5
69.84843	1.2
71.01392	0.6
73.02935	0.2
84.89646	0.2
93.03461	3.5
95.85094	0.2
99.00880	0.3
111.00941	0.3
111.04555	0.5
123.08163	0.5
125.06079	0.4
129.01968	0.3
161.02295	0.4
161.09584	0.3
163.58028	0.2
173.04564	4.2
174.05005	0.3
175.03979	0.5
189.09192	0.5
203.03508	25.5
204.04269	26.6
205.04668	3.1
218.05862	1.5
233.08189	100.0
233.15453	8.1
234.08531	11.2
234.15793	1.0
236.02979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73666	0.2
58.56248	0.2
59.01379	15.1
63.02400	0.8
65.00330	0.4
67.01884	0.5
71.01384	1.0
71.71086	0.2
73.08436	0.2
86.56443	0.2
93.03461	2.7
99.00893	0.3
107.01392	0.5
111.00906	0.2
111.04580	0.2
123.08187	0.3
129.01947	0.2
149.02405	0.3
159.04512	0.3
161.02455	0.6
163.07999	0.2
173.04570	2.8
175.04146	0.2
176.01170	0.5
183.46948	0.2
189.09216	0.5
203.03510	24.4
204.04271	25.9
205.04669	2.4
205.08714	0.2
218.05818	1.6
223.16862	0.2
223.19550	0.2
233.08186	100.0
233.15448	8.6
234.08519	11.0
234.15640	0.8
236.03471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0819
Annotation	Vidalenolone
Peak:m/z	Relative Intensity
53.88568	0.3
56.36341	0.3
57.03452	0.3
59.01380	23.3
60.01685	0.4
60.99304	0.3
61.98841	0.3
66.71124	0.3
67.01888	0.9
70.58488	0.6
70.58855	0.5
71.01390	0.8
76.02618	0.2
85.06614	0.3
87.04527	0.9
91.05527	0.5
93.02905	0.5
93.03461	4.3
94.03787	0.3
95.05055	0.3
111.00888	0.4
111.04537	1.2
117.03485	1.2
118.04201	0.3
119.05046	1.9
129.01945	0.6
133.76273	0.3
135.04556	2.0
135.08188	1.3
137.76489	0.3
145.02969	4.0
146.03413	0.6
148.01663	0.4
161.02507	0.7
162.03252	6.4
163.04037	26.9
163.11264	0.5
164.04347	2.3
171.08209	0.5
173.04567	6.9
173.06003	0.4
174.04976	0.5
174.06808	0.4
187.07751	0.4
189.01965	3.2
189.05586	0.7
189.09271	0.7
190.02713	2.4
205.08727	3.6
207.03058	1.0
210.92477	0.3
215.07108	4.1
216.07495	0.4
218.05858	0.9
222.01582	0.4
233.08192	100.0
233.15457	12.1
234.08536	11.2
234.15797	1.3
236.04593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0819
Annotation	Vidalenolone
Peak:m/z	Relative Intensity
57.03456	0.7
59.01378	65.1
60.01717	1.0
60.99309	0.6
65.00324	0.5
67.01902	2.2
69.03472	0.4
69.14156	0.4
69.80412	0.4
70.81739	1.4
71.01382	2.5
74.99103	0.6
77.14299	0.4
78.69293	0.3
83.01392	0.5
85.02969	0.6
87.00824	0.4
93.00168	0.6
93.03469	12.2
94.03831	0.6
94.50153	0.4
97.06674	0.4
99.00903	0.9
108.02188	0.9
111.00897	0.4
111.04572	2.2
111.05203	0.3
123.08208	1.0
129.01958	1.1
134.99446	0.5
145.02922	0.6
149.00984	5.9
149.02074	0.7
154.61983	0.4
159.04550	0.7
160.05339	1.9
160.98730	0.4
161.02464	0.7
161.06250	0.4
173.04564	15.5
174.04912	0.9
184.00241	0.7
184.04848	0.4
189.09209	1.0
189.12917	0.5
191.07185	1.0
197.04694	0.4
203.03516	23.9
204.04265	28.3
205.04582	2.7
217.07219	8.9
218.05830	1.7
218.07599	0.7
233.08206	100.0
233.10324	9.1
233.15448	33.6
234.06189	0.7
234.08510	11.3
234.10568	1.3
234.15837	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	231.1027
Annotation	Drupanin
Peak:m/z	Relative Intensity
59.01376	1.5
60.82382	0.4
61.98840	0.5
69.96213	2.6
85.67330	0.5
121.02985	0.5
123.94697	0.5
131.05049	1.0
132.05840	68.2
133.06186	5.3
164.04826	42.8
165.05183	3.0
173.60741	0.5
176.04768	2.6
185.50835	0.4
187.11307	100.0
188.11662	11.8
208.03825	1.9
231.10274	82.2
232.10643	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	231.1603
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
51.09309	0.2
57.03440	1.4
57.46411	0.2
59.01388	0.5
59.38822	0.2
73.24703	0.2
81.03471	0.5
87.04493	0.3
125.09775	0.3
127.11285	1.9
134.03757	0.5
155.14420	0.7
171.10304	4.2
172.10591	0.2
183.13892	0.3
185.15468	0.5
195.13901	0.5
201.11774	0.3
211.13382	0.3
213.14969	4.0
214.15421	0.2
229.14473	3.0
229.83705	0.2
230.14780	0.5
231.16016	100.0
232.16350	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	230.0129
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.02623	0.9
53.67587	0.9
59.01374	3.4
61.98825	2.0
66.03494	1.0
69.61276	7.6
72.99314	2.1
73.01175	7.4
80.05064	2.8
82.02986	5.1
87.00899	1.4
88.04044	0.8
94.70760	0.8
95.03337	0.7
96.04570	29.7
97.04915	0.9
98.99099	4.9
99.02795	1.0
108.04569	28.5
109.04865	1.4
114.00212	87.9
115.00528	1.7
127.04095	1.1
132.03058	2.3
142.03342	100.0
143.03717	4.8
152.48343	0.9
186.02315	40.1
187.02655	2.1
187.04117	1.0
208.00374	0.8
210.63449	0.8
213.07880	0.8
230.01286	96.9
230.15431	1.2
231.01553	6.7
231.08755	2.0
233.23108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21031	0.2
56.99095	0.2
57.03436	1.0
59.01121	0.3
59.01379	3.2
62.85910	0.3
69.42819	2.7
71.05018	1.0
83.05016	0.4
84.02174	0.5
85.02951	0.7
97.06604	0.4
123.08146	0.3
125.09742	3.5
127.11299	3.8
128.11642	0.4
155.14427	2.1
165.12848	0.9
167.14461	1.9
171.10281	0.5
172.05273	0.4
183.13919	0.7
185.06129	0.5
185.15546	0.4
186.06902	0.4
189.17517	0.3
200.04771	0.8
201.09209	0.3
209.11827	1.5
211.13405	3.3
212.13820	0.3
229.05121	0.8
229.08830	3.4
229.14442	100.0
230.08960	0.5
230.14778	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.65575	0.2
51.23364	0.2
57.03451	1.4
69.59049	1.9
71.05032	0.6
71.66509	0.2
74.02476	0.5
75.40437	0.2
83.05030	0.4
84.02160	0.5
85.02968	0.7
97.06593	0.5
98.19785	0.4
100.24972	0.2
123.08156	0.3
125.09727	2.6
127.11293	3.6
132.98967	0.2
153.12892	0.3
155.14426	2.0
165.12889	0.8
167.14441	1.1
171.10292	4.7
172.10643	0.6
183.13873	1.1
185.11862	1.2
201.14958	0.3
209.11830	3.1
210.12137	0.3
211.13393	8.9
212.13750	1.0
229.14439	100.0
230.14780	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
59.01380	100.0
60.01716	1.6
60.99305	0.6
70.35736	0.3
71.72007	0.3
87.48579	0.3
115.48211	0.3
131.10187	0.3
197.11806	0.5
205.10739	0.4
211.13371	2.0
229.01381	0.5
229.04999	0.5
229.14445	39.2
230.14771	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03446	0.9
58.80304	0.3
59.01385	0.7
69.38363	3.9
76.05228	0.4
76.74264	0.3
83.05019	0.6
85.02964	0.4
109.06605	0.3
123.08247	0.3
125.09739	2.2
127.11312	3.0
153.88806	0.4
155.14424	1.0
165.12813	0.6
167.14439	2.0
171.10291	3.6
183.13908	1.8
185.07219	0.4
193.12387	0.6
197.84610	0.3
209.11847	2.7
211.13414	9.2
212.13751	1.1
229.14442	100.0
230.14778	11.0
231.70584	0.3
236.63313	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21549	0.3
59.01374	1.4
63.02402	3.3
65.00330	17.5
66.00669	0.5
67.13870	0.3
67.14296	0.3
83.01395	10.4
98.19884	1.1
101.04005	0.6
107.01409	18.8
108.01760	1.0
108.99371	0.3
119.04237	0.5
119.05051	9.1
120.05389	0.8
122.15131	0.3
143.05048	7.5
144.05400	0.6
145.02979	24.1
146.03323	1.3
151.00394	36.2
152.00716	2.2
157.06583	1.2
161.06110	8.1
162.06429	0.7
169.01454	1.0
185.06102	8.9
186.06360	0.6
187.04008	1.3
201.05630	0.6
211.13316	0.5
229.05070	100.0
229.14410	4.1
230.02090	0.7
230.05409	12.4
230.07718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21549	0.3
59.01374	1.4
63.02402	3.3
65.00330	17.5
66.00669	0.5
67.13870	0.3
67.14296	0.3
83.01395	10.4
98.19884	1.1
101.04005	0.6
107.01409	18.8
108.01760	1.0
108.99371	0.3
119.04237	0.5
119.05051	9.1
120.05389	0.8
122.15131	0.3
143.05048	7.5
144.05400	0.6
145.02979	24.1
146.03323	1.3
151.00394	36.2
152.00716	2.2
157.06583	1.2
161.06110	8.1
162.06429	0.7
169.01454	1.0
185.06102	8.9
186.06360	0.6
187.04008	1.3
201.05630	0.6
211.13316	0.5
229.05070	100.0
229.14410	4.1
230.02090	0.7
230.05409	12.4
230.07718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03444	0.4
57.69530	0.2
59.01368	0.2
65.70522	0.2
70.26884	0.8
88.05733	0.1
111.08172	1.1
154.12891	0.2
165.12860	19.3
166.13214	2.2
183.13913	100.0
184.14253	9.2
191.10785	0.3
209.11815	1.7
210.12212	0.3
227.12891	23.3
228.13229	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.88813	0.2
56.12013	0.2
56.70687	0.2
58.23869	0.2
59.01379	0.4
61.57771	0.3
68.15079	0.2
70.18423	1.2
71.05016	0.6
80.02683	1.6
81.03458	1.5
82.65983	0.2
83.01398	0.5
83.05029	7.3
84.02171	4.1
84.05402	0.3
93.43192	0.2
95.05026	1.0
97.06631	0.3
107.78146	0.2
109.06595	0.5
111.08204	0.2
112.98804	0.3
117.84659	0.2
125.06104	0.9
135.08176	0.7
147.11810	0.5
163.09982	0.2
163.11298	5.8
164.11624	0.5
165.12849	4.1
166.13123	0.3
181.12384	1.0
183.13933	1.1
191.10762	1.2
199.13416	0.6
203.58121	0.2
209.11841	100.0
210.12172	11.3
227.03485	0.3
227.12897	4.8
227.20166	0.7
228.13266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0351
Annotation	2,7-Dihydroxyxanthone
Peak:m/z	Relative Intensity
61.53664	0.1
65.00335	0.1
67.01157	0.1
69.03463	0.2
70.47681	0.6
79.41877	0.1
89.69441	0.2
91.01902	0.2
97.02856	0.2
99.92611	0.2
104.67935	0.1
107.01311	0.2
111.00835	0.2
115.05611	0.2
117.03470	0.2
127.05570	0.3
139.05569	0.6
143.05057	3.3
143.06183	0.2
144.05353	0.3
145.02994	0.2
145.06615	0.3
154.04254	0.4
155.05043	3.9
156.05406	0.3
163.04071	0.2
165.12929	0.2
171.04541	9.1
172.04886	1.1
173.02296	0.2
182.03719	1.5
183.04532	6.4
183.13922	0.6
184.04875	0.5
189.05569	1.3
198.03268	1.0
199.04018	10.4
200.04311	0.9
209.11826	0.3
210.03226	0.6
226.02748	3.8
227.03508	100.0
227.20117	0.5
228.03844	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	225.1497
Annotation	MKN-003C
Peak:m/z	Relative Intensity
57.03439	0.7
59.01378	3.8
61.98838	2.6
61.99100	0.4
65.00329	0.8
69.28992	0.4
69.65434	1.1
69.65854	2.6
71.05021	0.5
83.05018	1.1
85.02953	0.6
85.06611	0.4
91.53139	0.4
93.03469	2.4
95.05071	0.4
108.78889	0.4
111.04459	0.5
111.08187	0.7
125.06074	2.2
126.90540	0.8
137.02452	1.4
140.37163	0.4
141.01884	0.6
153.12877	1.4
163.11281	1.0
163.14879	0.6
165.01952	0.5
166.10258	0.5
181.12396	2.0
181.16000	1.0
182.12692	0.6
185.43147	0.4
195.13921	9.2
196.14307	0.6
197.11914	0.6
197.15489	4.0
206.99413	0.8
207.02994	1.4
207.10327	1.2
207.13918	23.3
208.14227	3.0
210.05246	0.5
224.90575	0.6
225.00432	1.2
225.03986	0.9
225.07768	4.1
225.11319	4.5
225.14964	100.0
225.92650	0.8
226.08093	0.6
226.11835	0.5
226.15309	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	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01890	3.2
57.03181	3.3
57.03451	45.8
59.01364	6.5
60.76708	1.9
60.99321	2.7
64.41133	2.3
65.00328	3.3
68.99938	2.3
69.03461	35.2
71.01379	6.6
71.05030	42.5
71.72503	2.8
78.15694	2.5
80.54968	2.0
81.03471	35.0
81.98930	2.1
83.05064	11.8
84.02162	2.9
85.02962	2.6
85.06622	14.9
93.03469	24.8
93.07108	2.3
94.04250	2.6
95.05045	33.1
96.05387	2.3
97.02966	7.1
98.03757	14.6
99.00871	4.0
99.04539	51.9
100.04857	3.2
107.05061	4.8
108.02183	2.7
109.02980	4.5
110.03704	2.0
111.04523	6.4
111.08171	5.3
112.37579	1.9
113.06086	8.9
119.05041	8.9
121.02924	2.3
125.06116	6.0
125.09761	17.4
126.90433	2.4
137.02478	6.9
137.06085	3.7
137.09744	25.5
149.13266	2.0
153.09215	2.4
153.12871	10.8
160.24013	2.0
163.04047	6.0
163.11304	42.4
164.11577	4.8
165.01958	6.1
165.51088	2.1
173.53516	2.2
178.83310	2.7
179.10851	4.9
181.05058	3.0
181.12369	37.3
182.12648	3.7
195.03030	2.8
197.11877	8.6
206.99344	3.5
207.02991	36.4
207.10333	10.0
208.03271	4.5
210.05339	3.9
224.90587	4.3
225.00520	5.2
225.03996	23.8
225.07904	10.5
225.11325	100.0
225.14879	4.9
225.92641	2.1
226.11726	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	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03451	0.9
59.01378	12.1
61.98842	0.8
69.03465	1.9
69.44666	1.3
69.45058	6.4
71.05032	2.0
80.02702	1.8
81.03458	5.1
83.05024	3.4
84.02176	3.0
85.02970	1.1
85.06603	5.9
87.04534	1.9
93.03472	2.4
95.05052	2.0
97.02965	11.1
97.06573	1.4
98.04686	0.7
99.00939	0.9
99.04533	1.4
104.14092	0.7
106.04266	1.0
107.05054	0.7
108.02173	0.6
109.03005	0.7
109.06603	45.4
110.03750	5.4
110.06957	2.6
111.04541	1.9
113.06210	0.7
119.05000	1.1
121.06614	2.5
125.09737	2.3
126.63868	0.6
135.08192	5.1
136.05312	2.0
137.02484	0.7
142.02794	5.3
153.12883	1.3
161.09724	2.3
163.04039	1.1
163.11305	29.3
164.11639	2.2
165.09254	0.8
167.10735	1.4
179.10849	0.8
181.12363	19.3
182.12730	1.2
189.09242	1.6
195.06662	1.0
197.11835	1.1
206.99364	0.9
207.03008	7.0
207.10269	92.2
208.10612	10.3
217.70580	0.8
225.04036	2.9
225.11319	100.0
225.14967	2.5
226.11662	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	225.1134
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.03873	6.3
56.58537	5.2
57.03452	69.2
59.01378	22.1
61.98830	32.8
65.00337	36.0
65.00613	5.4
69.03463	56.0
70.14883	26.6
71.01404	10.5
71.05034	55.9
81.03467	52.3
83.05029	12.4
85.06596	25.0
93.03475	62.6
94.03778	6.3
95.05027	40.1
97.02966	12.9
98.03746	13.4
99.00884	12.3
99.03970	8.3
99.04541	79.5
107.05036	8.6
108.02248	6.2
109.02969	7.5
109.06567	8.8
111.04552	10.2
111.08191	7.6
113.06110	13.8
125.06116	15.1
125.09770	30.3
126.90511	19.3
136.98840	18.0
137.02432	19.6
137.09734	16.3
148.94000	5.6
153.12929	16.6
163.11288	54.8
164.11649	11.0
177.09084	6.3
178.83493	7.4
181.12398	29.8
195.03047	7.6
196.97351	6.6
197.11885	18.1
206.99420	15.1
207.10277	14.6
224.90515	8.8
225.00372	21.6
225.02592	31.0
225.07730	10.7
225.11314	100.0
225.14981	22.5
226.02673	6.3
226.11620	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	225.077
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
55.01880	0.4
57.03448	2.5
59.01378	3.4
59.98652	0.3
61.98829	0.9
67.01880	0.7
67.05543	0.4
68.99818	0.8
69.03452	1.8
71.01392	0.7
71.72173	0.6
71.72572	0.3
83.01393	1.7
83.05025	1.1
85.02960	6.0
85.06602	8.2
87.04517	3.3
93.03474	2.3
93.03975	0.3
95.01396	8.5
95.05038	3.5
96.02200	0.7
97.06599	0.7
99.04548	0.5
101.51427	0.3
109.02975	4.1
109.06612	2.6
111.00893	1.4
111.04536	9.1
111.08165	2.3
112.04858	0.8
113.02467	9.6
113.06113	2.3
114.02811	0.4
118.14768	0.3
119.08675	0.4
120.02165	0.4
121.06604	1.0
122.03773	0.6
123.04564	0.7
123.08233	0.3
125.06077	0.4
127.07655	0.8
130.04279	0.4
135.08209	2.4
137.02464	2.7
137.06091	1.4
137.09726	0.9
138.02109	0.5
138.03239	2.5
139.00392	1.9
139.07681	4.4
141.05608	0.5
148.05315	0.9
151.03947	0.4
153.01968	0.4
153.09258	0.8
153.12877	0.4
153.72614	0.4
155.07140	2.6
163.07690	3.2
163.11310	0.7
164.01161	0.9
165.01976	0.7
165.05579	8.5
166.06381	5.6
167.03532	1.3
168.00603	0.5
179.05673	0.6
179.07158	8.3
180.04242	0.6
180.07539	0.7
181.05077	1.4
181.08728	7.2
181.10265	0.6
181.12317	2.5
182.09108	0.5
183.06641	37.6
184.06960	2.7
194.06316	0.3
195.02977	0.5
195.06644	0.6
197.08228	0.9
207.06645	17.9
207.10197	1.0
208.07045	1.5
209.04599	0.6
209.39619	0.3
210.05382	3.7
211.05643	0.3
225.07689	100.0
225.11325	3.9
226.08051	10.2
226.11415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0406
Annotation	Prephenic acid
Peak:m/z	Relative Intensity
54.23354	0.4
69.03457	3.1
69.53822	3.6
91.05577	0.5
93.03469	0.9
93.07111	1.7
95.05035	2.4
97.03011	0.4
97.13865	0.4
109.02913	0.4
109.06615	0.4
119.05045	32.6
120.05370	2.0
121.02962	1.2
122.03773	0.6
135.04533	2.6
137.06113	9.9
138.06416	0.9
140.15349	0.5
163.04037	14.8
163.11249	0.7
164.04337	1.1
181.05109	5.7
181.12349	0.9
207.03001	100.0
207.10237	2.1
208.03357	10.2
225.04054	64.7
225.11272	4.2
226.04401	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	224.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17605	0.1
51.97066	0.1
55.01892	0.3
57.21511	0.1
59.01368	0.4
60.99059	0.1
65.03955	0.1
66.12627	0.1
69.15993	0.1
69.57285	1.0
74.25069	0.1
74.53039	0.1
75.10960	0.1
79.01888	0.9
81.03463	0.3
81.52361	0.1
92.81264	0.1
93.03490	0.3
97.02995	0.2
108.02168	0.1
109.02952	0.9
109.06615	0.1
111.00870	0.5
111.04503	0.2
116.64304	0.1
117.54776	0.1
123.00911	0.1
124.01658	1.5
124.02475	0.1
125.02470	4.3
126.02837	0.2
135.00926	0.1
135.04512	0.3
136.01642	0.2
137.02467	1.6
137.06113	0.2
139.00398	0.2
147.04547	0.1
149.06116	0.5
150.06897	1.1
151.00385	2.4
151.07440	0.1
151.11415	0.1
152.01204	0.6
153.01964	11.3
154.02753	6.2
155.03113	0.4
156.00696	0.1
163.04047	1.1
165.09128	0.1
167.03503	0.5
177.05576	0.3
178.06374	1.6
178.99870	0.4
179.06895	0.1
180.00670	5.4
181.01459	5.8
181.05077	4.7
181.06743	0.2
182.02231	20.7
182.05516	0.6
183.02577	1.5
191.03522	0.6
195.03001	0.3
195.06653	2.1
196.03738	0.2
196.06926	0.3
206.05846	1.2
207.06619	1.6
207.10197	0.1
209.04573	2.0
210.05037	0.3
217.54845	0.1
223.06099	1.8
224.06903	100.0
225.07243	10.6
225.11188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0686
Annotation	ANCITABINE
Peak:m/z	Relative Intensity
50.88385	0.1
54.54633	0.1
55.01898	0.3
58.29874	0.1
59.01391	0.1
59.21884	0.1
65.03970	0.1
68.99831	0.1
71.71688	0.1
71.72028	0.1
72.14664	0.1
79.01895	0.8
81.03479	0.1
81.25678	0.1
86.09122	0.1
93.03477	0.1
96.02195	0.1
97.02963	0.2
103.66521	0.1
108.02205	0.1
109.02964	1.0
109.06631	0.1
111.00884	0.4
111.04543	0.2
113.02510	0.2
123.00929	0.1
124.01681	1.6
125.02467	3.7
126.02779	0.1
135.04547	0.3
137.02473	1.6
137.06064	0.1
139.00468	0.2
149.06125	0.5
150.06911	1.1
151.00392	2.6
151.07364	0.1
152.01259	0.4
153.01958	11.0
154.02748	6.0
155.03087	0.4
156.00667	0.1
163.04018	1.1
164.04428	0.1
165.01898	0.1
165.05617	0.1
167.03500	0.7
175.59796	0.1
177.05554	0.4
178.06366	1.8
178.99957	0.4
179.07089	0.1
180.00659	5.4
181.01456	5.2
181.05067	4.4
181.06712	0.1
182.02225	20.4
183.02557	1.5
191.03499	0.5
195.03076	0.4
195.06635	2.3
196.03764	0.1
196.06960	0.4
205.05116	0.1
206.05850	1.4
207.06635	1.5
208.06880	0.1
209.04561	2.0
210.04936	0.1
223.04022	0.1
223.06155	1.6
224.06900	100.0
225.07246	9.9
225.09644	0.1
225.18324	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03449	1.9
59.01377	28.5
60.01704	0.7
61.98819	2.2
69.03461	6.1
69.99907	0.8
70.00324	2.3
71.01385	1.9
71.05012	1.8
73.02958	0.6
78.86492	0.7
83.05024	1.2
85.02936	1.1
85.06594	1.7
95.05007	0.8
96.96046	1.2
97.06659	0.5
101.02454	1.7
109.06600	1.6
111.08115	0.6
123.08176	0.6
125.09739	0.6
149.09692	1.5
151.04033	1.0
152.84833	0.6
153.09280	0.5
161.13365	1.5
163.06133	3.8
165.01869	0.5
166.06392	2.6
167.10800	6.5
169.95161	0.6
176.98209	0.6
177.12851	2.0
179.10785	2.7
179.14430	8.5
180.14781	1.3
193.01456	1.0
193.12364	0.6
195.06628	1.2
195.13913	25.4
196.14296	1.8
205.12341	18.8
206.12701	2.4
208.03819	1.5
223.02765	4.1
223.06204	1.3
223.13393	100.0
224.02988	0.9
224.13747	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	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03442	1.6
59.01376	15.7
60.01714	1.0
66.25152	0.6
69.03455	6.8
70.82625	0.6
71.05036	2.0
71.71016	1.1
83.05055	0.9
85.06649	1.2
93.03451	0.8
95.05059	1.4
96.95995	0.7
97.06629	0.7
108.05737	0.9
109.06595	1.3
109.92005	0.6
123.08193	0.8
125.09716	1.0
135.42635	0.7
149.09662	0.9
161.09695	0.9
161.13341	0.9
163.06255	1.3
167.10811	8.0
168.11255	0.9
177.12903	1.7
179.10735	3.8
179.14424	8.7
195.13916	27.2
195.15761	1.5
196.14281	2.8
205.12354	20.5
206.12622	2.5
223.02870	1.1
223.13394	100.0
224.13730	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	221.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05324	0.3
51.41846	0.3
55.01875	0.5
59.01381	24.7
60.01709	0.5
61.29802	0.3
71.01395	0.7
73.02943	1.8
79.01897	0.9
81.03481	0.4
85.06593	0.4
97.02961	1.8
98.20637	0.7
101.02431	1.1
103.62005	0.3
107.05050	3.2
108.02145	0.5
109.02967	0.8
109.06629	0.6
111.04533	10.9
113.02454	0.5
113.05809	0.3
121.02987	0.5
121.06609	2.3
122.03748	1.0
123.04542	12.7
124.04061	0.5
124.04861	0.9
128.48512	0.4
135.04622	0.6
137.06091	0.6
147.04562	0.6
149.02470	2.5
150.03212	1.7
151.04031	20.8
152.04376	1.3
157.06599	0.4
159.04492	0.4
159.08188	0.8
161.04646	1.8
165.05580	3.4
168.84535	0.3
175.07635	1.9
177.01964	4.3
177.09222	3.5
178.02332	0.8
178.06358	0.4
178.09578	0.6
179.03447	0.4
191.03563	0.7
193.08736	6.6
194.09047	0.5
203.07149	14.3
204.07497	1.2
220.42839	0.3
221.08202	100.0
222.08546	11.3
225.92256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	Senkyunolide I
Peak:m/z	Relative Intensity
50.83189	0.1
55.01882	0.6
56.24423	0.1
57.03446	0.4
57.15028	0.1
59.01376	2.4
61.98838	0.2
65.00348	0.3
69.03481	0.1
69.12025	0.2
69.56354	1.5
71.05026	2.4
73.02941	0.3
77.04002	0.2
79.01897	2.9
80.02264	0.2
80.02695	0.2
83.01408	0.3
83.05051	0.3
93.03471	0.5
95.05038	10.6
96.05367	0.6
97.02962	2.5
98.20644	0.3
99.08182	1.2
101.02449	0.2
101.06098	0.7
109.02933	0.4
109.06618	0.5
119.08663	0.3
121.02983	1.9
121.06602	0.4
121.55630	0.2
122.03764	0.8
123.08163	1.7
125.06100	5.9
126.06443	0.3
135.04543	0.3
135.08189	0.5
136.05325	0.4
137.06134	0.2
137.09746	4.3
138.03230	0.4
138.10095	0.5
139.04033	12.2
140.04356	0.6
149.06042	0.2
150.06831	0.4
151.03976	0.2
151.07658	0.5
155.10808	0.4
160.10341	0.2
161.09697	1.3
163.06204	0.2
164.08411	0.5
165.01959	2.6
166.02795	0.8
166.06306	0.2
167.07159	0.3
177.09251	0.6
179.10793	42.5
180.04295	0.3
180.11136	4.0
181.08633	0.2
190.06410	0.2
195.39142	0.2
205.08711	2.5
206.09027	0.2
223.09764	100.0
223.13364	2.9
224.10094	11.0
224.13690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71124	0.3
55.01871	0.4
59.01379	40.1
60.01697	0.4
61.54533	0.3
69.03476	0.4
69.70595	0.6
69.71006	2.2
71.01393	1.0
71.05016	0.4
73.02942	1.2
77.03966	0.6
79.01890	1.0
81.03442	0.6
83.01389	0.4
83.05054	0.5
84.62476	0.3
85.02937	0.7
87.04484	0.5
87.61633	0.3
94.02985	0.6
94.74422	0.4
94.85989	0.3
97.02974	0.7
97.64240	0.3
98.28498	0.3
99.04465	0.4
101.02448	1.4
107.02154	0.3
107.05042	4.0
108.02176	0.9
109.02961	1.2
111.04533	12.1
112.04865	0.5
113.02451	0.5
121.02968	0.4
121.06617	0.5
122.03776	0.9
123.04540	14.1
124.04028	0.6
124.04892	0.6
131.03516	0.5
135.04524	0.4
143.03432	0.4
146.55705	0.3
149.02466	2.8
150.03183	1.4
151.04028	21.9
152.04428	1.3
157.06668	0.5
159.08194	1.0
161.04620	2.7
175.07666	1.3
177.01968	4.6
177.09270	1.9
178.02521	0.5
179.06981	0.4
180.04277	1.1
186.25084	0.4
193.08725	7.2
194.09016	0.7
203.07164	15.3
204.07413	0.8
207.06616	0.5
221.08206	100.0
221.15511	1.3
222.08604	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	221.0817
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
55.01873	0.5
57.03461	0.3
59.01381	16.3
60.01704	0.3
68.99800	0.3
71.01373	0.4
71.72588	0.4
73.02940	0.6
77.03963	1.0
79.01891	1.2
85.02951	0.4
87.04501	0.7
96.99248	0.2
97.02977	0.6
101.02452	0.6
107.05045	4.0
108.02187	0.4
109.02966	0.8
111.04536	13.3
112.04877	0.6
121.02979	0.6
122.03742	0.9
123.04543	14.2
124.04881	0.6
129.07155	0.4
131.03526	0.3
135.00891	0.2
144.05832	0.3
149.02452	2.5
150.03226	1.7
151.04031	22.6
152.04341	1.3
157.06555	0.4
159.04533	0.3
159.08162	0.9
161.04601	1.2
173.06070	0.2
175.07652	1.1
177.01945	5.3
177.09235	1.6
178.02432	0.3
179.03481	0.4
180.04253	0.5
193.08713	7.8
194.09055	0.7
203.07153	15.5
204.07558	1.6
221.08197	100.0
222.08597	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	219.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03447	1.9
58.02966	1.0
59.01383	6.6
61.98828	1.2
62.68047	0.6
67.01894	1.1
69.03454	1.5
70.86542	2.1
71.01379	1.0
71.05031	2.8
73.02928	1.0
75.00887	1.2
80.96510	0.8
81.03464	17.7
81.07748	0.6
82.03796	1.1
83.01396	21.2
83.05034	1.1
85.02959	2.0
87.00880	1.1
87.04533	4.1
88.04056	2.0
89.04419	0.8
97.02962	20.1
98.03292	0.8
99.00854	1.1
99.04533	25.5
100.04846	1.4
101.02458	0.9
113.06112	0.7
115.04020	11.1
125.02464	100.0
126.02790	4.2
127.00365	5.6
129.01962	0.8
132.04771	0.7
135.04590	0.7
143.03529	12.3
145.05157	0.7
147.04424	0.8
147.08615	0.7
157.05084	3.5
157.08690	0.8
159.03008	20.7
159.06691	1.3
160.03317	1.7
176.03537	0.8
187.02489	32.1
188.02843	2.0
201.04027	1.3
204.04112	0.7
219.03053	1.3
219.05106	7.7
219.06696	0.9
219.08736	1.5
219.10634	1.4
219.17566	17.1
220.06218	0.7
220.17931	2.6
238.56711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.19181	0.4
59.01377	4.0
62.43361	0.4
63.34634	0.4
69.64574	3.7
71.01388	12.0
71.05025	15.4
72.00924	0.8
75.00890	0.8
81.47060	0.4
83.05015	0.8
86.56734	0.4
88.04051	100.0
89.04362	2.2
98.20601	0.9
99.04532	5.6
101.06108	0.5
116.03574	0.9
116.07182	2.6
125.00393	0.5
125.02464	1.0
129.05630	0.7
146.08255	45.7
147.08624	2.7
175.89902	0.4
182.60927	0.4
207.54861	0.5
218.10338	32.5
219.08698	1.0
219.10640	2.8
219.17534	7.2
221.27286	0.4
238.64020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94488	1.0
55.01874	1.3
57.03440	4.5
59.01371	3.8
65.72826	1.0
69.03450	2.7
71.01376	1.5
71.05048	1.2
71.70975	1.6
72.99326	1.4
73.02934	1.4
75.00891	1.6
78.34845	1.0
81.03461	24.0
83.01398	30.4
84.01731	1.4
85.02948	6.7
87.00886	1.7
87.04520	6.2
95.01387	1.0
97.02966	32.0
98.03297	1.5
99.00912	1.3
99.04536	27.8
101.02450	1.6
111.00903	1.2
113.02655	1.1
115.04031	6.8
118.98125	1.4
125.02464	100.0
126.02803	4.8
127.00405	9.6
129.01949	4.0
143.03522	15.8
144.03877	1.4
144.88527	1.2
145.01413	1.8
157.05124	5.2
159.03003	29.4
160.03406	2.2
179.49786	1.1
187.02493	40.4
188.02879	1.9
201.03978	2.1
203.70302	1.2
219.03008	2.0
219.05064	15.9
219.08649	2.5
219.17563	2.2
220.05559	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12169	0.4
55.29464	0.4
55.85291	0.5
59.01389	1.5
71.72243	0.6
88.69265	0.5
111.02905	0.5
112.30875	0.5
124.89237	0.7
136.55838	0.5
138.78751	0.5
145.06570	3.1
146.03734	0.8
146.06920	0.5
147.04500	0.5
155.05057	1.7
156.05751	0.5
158.03726	5.3
159.04539	30.8
160.05302	7.3
161.05737	0.7
162.03195	0.6
163.91565	0.6
171.08168	1.3
173.06097	81.6
174.03377	1.0
174.06841	25.5
175.07214	2.4
175.86435	0.5
187.04013	5.3
187.07669	2.0
188.04802	21.3
188.08377	3.4
189.05217	2.4
189.09227	6.2
199.07689	2.9
202.06381	0.9
215.07196	0.9
217.08701	100.0
218.09042	12.1
228.81575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0871
Annotation	Dihydroeuparin
Peak:m/z	Relative Intensity
52.12169	0.4
55.29464	0.4
55.85291	0.5
59.01389	1.5
71.72243	0.6
88.69265	0.5
111.02905	0.5
112.30875	0.5
124.89237	0.7
136.55838	0.5
138.78751	0.5
145.06570	3.1
146.03734	0.8
146.06920	0.5
147.04500	0.5
155.05057	1.7
156.05751	0.5
158.03726	5.3
159.04539	30.8
160.05302	7.3
161.05737	0.7
162.03195	0.6
163.91565	0.6
171.08168	1.3
173.06097	81.6
174.03377	1.0
174.06841	25.5
175.07214	2.4
175.86435	0.5
187.04013	5.3
187.07669	2.0
188.04802	21.3
188.08377	3.4
189.05217	2.4
189.09227	6.2
199.07689	2.9
202.06381	0.9
215.07196	0.9
217.08701	100.0
218.09042	12.1
228.81575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1653
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.21640	0.2
59.01380	0.6
61.98803	0.3
69.99575	1.3
70.14964	0.3
77.65430	0.2
92.45837	0.2
98.20605	0.5
122.89433	1.5
137.02507	0.3
139.11305	0.6
144.00949	1.5
152.00136	0.2
167.48010	0.2
169.16000	4.0
172.00391	0.3
186.89853	1.1
197.15445	1.7
200.04770	0.4
213.15033	0.6
215.01016	12.1
215.07228	1.3
215.16531	100.0
215.99510	0.3
216.01335	1.3
216.16872	10.6
218.51030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1289
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03450	1.5
59.01381	100.0
60.01717	1.7
61.98818	0.7
69.03452	1.4
70.22244	0.6
71.01384	9.6
71.05022	2.4
71.71903	1.0
72.02185	2.0
73.02953	3.9
82.03062	0.6
83.05034	0.9
85.02990	2.2
85.06599	1.0
87.04527	16.5
88.04867	0.8
93.03470	0.8
96.89664	0.6
97.79339	0.5
111.08175	0.7
113.66902	0.6
122.89468	1.4
125.09795	0.6
125.46930	0.5
127.96209	0.5
137.09709	2.8
144.00954	4.4
153.12900	1.2
155.10805	13.2
158.38876	0.7
178.81393	0.6
186.89880	0.9
197.11853	14.9
198.12186	1.7
200.04836	1.0
215.01003	31.6
215.03252	1.3
215.07123	3.5
215.12889	30.3
216.01276	2.0
216.13240	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
55.09442	0.5
57.04427	0.4
69.56215	1.0
69.56628	3.6
183.13945	14.8
184.14281	0.9
190.81148	0.4
195.13930	15.2
196.14241	1.8
213.14980	100.0
214.15343	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	213.1497
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
59.01369	0.6
69.82488	0.6
69.82912	1.1
72.27547	0.2
72.59708	0.3
83.39878	0.2
89.00387	0.3
111.00771	0.2
115.78616	0.2
129.64163	0.2
133.88676	0.3
167.14357	0.3
176.98235	0.3
177.12817	0.3
183.13918	23.7
184.14241	2.1
194.99329	0.4
195.13914	20.9
196.14218	2.1
211.13445	0.8
211.40843	0.2
213.14969	100.0
214.02742	0.3
214.15323	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.55484	0.2
59.62810	0.3
60.88500	0.3
61.98823	0.3
66.88885	0.3
69.03453	0.7
70.00305	1.6
70.04326	0.2
74.05814	0.2
83.05024	0.5
98.05243	0.2
134.56834	0.2
147.67397	0.2
150.24147	0.3
155.10785	0.3
165.12854	1.0
167.10841	0.6
167.14453	1.4
183.13924	13.1
184.14227	1.3
193.12335	3.8
194.12688	0.5
196.03743	0.2
211.13406	100.0
212.13744	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	213.0768
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
50.84330	0.4
57.03452	2.7
59.01380	25.8
69.67684	0.5
70.57726	1.1
70.58121	0.7
71.05026	4.0
72.99302	0.7
85.02959	100.0
86.03298	2.7
93.03439	0.5
93.23280	0.4
95.05016	0.5
97.02966	0.6
99.08175	9.7
100.08448	0.7
107.04959	0.6
109.06605	63.3
110.06931	3.7
111.00883	1.6
111.04531	9.7
114.30700	0.5
122.78345	0.4
123.08175	0.6
125.06112	6.3
125.44973	0.5
127.07683	13.3
128.07983	1.2
134.39964	0.4
141.09244	0.9
143.07147	1.5
151.04010	0.5
151.07672	0.9
169.05109	4.5
169.08722	65.6
170.09021	6.3
181.05095	2.4
183.13905	1.8
194.99390	0.5
195.06552	0.5
195.13858	1.5
213.07698	27.6
213.11255	2.0
213.14960	11.2
213.18558	1.1
214.07994	2.3
214.15303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0613
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
52.59418	0.6
53.19189	0.6
54.31842	0.5
55.01874	10.3
55.52302	0.6
59.01381	2.9
60.25963	0.5
61.98825	0.8
67.01904	0.6
67.05519	1.0
68.99831	1.2
69.03461	1.3
71.01388	1.7
72.99306	0.6
73.02950	1.3
75.00853	0.6
75.66898	0.6
79.01892	1.0
79.95704	0.9
80.05054	6.0
81.03490	1.6
83.05042	1.0
85.02957	4.0
87.00861	0.9
93.03483	1.3
95.01386	3.4
95.05038	5.5
96.96018	1.2
97.02979	2.4
97.06606	2.5
99.00877	3.0
102.83324	0.6
107.01422	0.6
108.02203	0.9
109.02962	2.5
111.04535	94.5
111.08182	2.9
112.04861	3.9
113.02461	1.2
113.06126	1.7
121.02975	1.5
123.00910	6.6
123.04569	1.7
123.08215	1.4
124.04061	9.1
125.04427	1.0
125.06115	1.3
127.64957	0.6
137.02446	3.3
139.00375	1.0
139.03961	1.1
139.07671	3.3
141.00874	1.3
141.01962	22.5
148.01701	0.6
149.02437	0.7
149.06076	1.0
150.05620	2.5
151.06142	2.2
152.01134	0.5
153.01941	1.5
153.05573	0.7
155.07130	1.4
163.04025	0.8
167.03497	1.6
167.07153	16.4
167.10841	1.2
168.03011	4.3
168.07501	1.1
169.05107	1.0
178.99838	0.8
181.01456	4.4
181.05138	1.0
182.01749	0.8
183.06609	4.6
183.13890	0.9
193.01427	1.2
193.08673	0.7
194.04581	3.0
196.03790	7.2
196.89493	0.8
199.89676	0.6
211.06123	100.0
211.13440	6.1
212.06450	9.3
212.09389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.025
Annotation	3-(2-Carboxyethenyl)-cis,cis-muconate
Peak:m/z	Relative Intensity
50.15477	0.4
53.10975	0.4
55.01901	0.7
59.01390	0.4
61.98845	0.5
63.02420	1.7
65.00328	8.1
69.03461	0.5
69.53275	2.1
69.53709	1.9
71.01427	0.5
77.03983	1.1
79.05571	1.9
81.03480	2.0
83.01400	5.0
84.40230	0.4
85.02972	0.5
86.33987	0.4
93.03539	0.5
95.01409	0.9
98.19901	0.7
105.03475	30.0
106.03856	1.8
107.01405	12.3
108.01705	0.5
121.02969	1.1
122.03373	0.4
123.00907	0.5
123.04539	12.1
124.04894	0.9
125.09776	0.5
139.00433	0.5
141.95795	0.4
149.02460	14.0
150.02835	1.2
151.00392	50.9
151.06119	1.0
151.07719	0.5
152.00745	2.3
164.98358	1.4
167.03511	4.6
167.10820	0.7
167.14488	0.6
169.01482	0.9
178.99890	3.0
181.01462	1.6
193.01445	100.0
194.01791	7.9
196.03825	2.0
196.05318	0.5
210.35080	0.4
211.02493	66.4
211.09642	0.9
211.13437	5.0
211.16670	0.4
212.02858	4.9
230.23465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.10656	0.4
57.03452	3.3
59.01380	100.0
60.01729	1.3
61.30042	0.4
61.98837	1.7
68.68502	0.4
70.07292	2.2
71.05044	0.5
73.02926	0.4
79.01899	1.0
80.02712	0.5
81.03468	1.9
83.05026	0.7
85.02973	0.7
91.98470	0.6
93.03483	0.5
94.03008	2.1
95.05056	0.4
97.06603	4.0
108.02281	0.4
109.06595	4.1
111.04584	0.4
121.02975	15.8
121.63790	0.4
122.03333	1.1
123.00894	0.5
124.04060	5.4
125.02503	0.9
125.06142	1.0
133.56651	0.5
135.08232	0.6
136.01636	0.5
137.02449	0.5
137.09744	0.9
144.62810	0.5
148.95059	0.4
149.09718	0.5
151.00366	0.8
152.04765	0.4
158.38345	0.4
165.01967	0.5
165.05585	0.7
165.09229	1.1
165.12868	5.0
166.13286	0.6
179.03577	0.4
180.04227	0.6
191.07193	0.9
209.04631	3.0
209.08371	5.9
209.11838	19.6
210.08344	0.7
210.12173	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03458	0.7
58.58035	0.4
59.01381	2.4
61.98831	8.3
63.63190	0.4
63.72582	0.4
65.00336	0.6
66.03476	0.5
69.03451	0.5
71.01389	0.4
71.05012	2.5
71.71832	0.7
81.03442	0.4
83.05027	1.1
85.02918	0.5
85.06600	8.2
85.07096	0.7
89.02448	0.6
92.99820	1.2
93.03495	0.9
94.03004	6.3
94.87447	0.3
95.01417	0.9
95.05051	0.5
97.06550	0.7
109.02973	0.5
109.06578	0.5
111.04572	0.9
121.02975	41.0
121.06609	0.6
122.02544	0.6
122.03269	2.9
123.00867	0.4
123.04572	0.7
123.08150	0.4
124.04060	15.4
124.04975	0.7
125.06091	0.6
135.08194	0.4
136.01727	0.5
136.98904	0.6
137.02467	0.8
137.06068	0.4
139.04092	0.4
139.07692	1.9
139.11255	0.4
151.04041	0.4
151.07603	0.4
164.98331	0.7
165.01964	0.7
165.05571	0.5
165.09241	1.0
165.12868	1.0
167.10774	0.9
178.99898	0.5
179.03580	1.0
181.12398	0.4
183.88649	0.4
189.51903	0.4
191.10851	0.8
194.02260	1.1
209.01013	1.1
209.04585	6.7
209.08267	3.2
209.11845	100.0
209.15179	12.1
209.94875	2.9
210.04855	0.6
210.07797	1.8
210.12178	12.1
210.15724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03434	0.5
59.01386	0.8
61.98834	1.4
65.00315	0.4
69.96684	0.6
69.97115	0.9
71.05032	1.6
73.02946	0.3
74.41111	0.2
77.03951	0.3
79.01897	3.6
80.02660	0.3
81.03501	0.3
83.05032	0.2
85.06589	1.7
86.59657	0.2
87.04523	1.1
93.03492	0.5
94.02994	0.8
95.05039	9.4
96.05370	0.4
97.02966	3.1
99.08188	0.3
107.05059	0.3
109.02980	0.5
109.06600	2.4
111.04534	6.1
112.04875	0.4
117.28344	0.2
121.02972	8.7
121.06612	0.8
122.03260	0.3
122.03777	0.3
123.08181	5.6
124.04053	3.2
124.08553	0.4
130.60773	0.2
137.02499	0.3
138.03238	0.4
139.04028	10.3
140.04359	0.4
141.09245	0.5
147.08185	2.7
149.06099	0.4
150.06859	1.4
153.05624	0.4
159.87375	0.2
163.07651	0.9
165.01950	2.2
165.09224	43.1
166.02684	1.0
166.09557	4.1
167.07143	0.4
191.07164	3.5
192.07513	0.3
194.02069	0.3
194.05815	0.3
209.08197	100.0
210.08556	10.3
213.90393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16055	0.3
52.79617	0.2
55.98748	0.3
57.03443	1.0
59.01375	1.6
61.57511	0.2
61.98827	0.8
65.00309	1.4
71.28894	0.5
71.29252	0.7
81.03463	12.5
82.03819	0.6
83.01391	1.3
83.05014	0.4
83.80495	0.3
93.03501	0.4
94.02998	1.0
95.05076	0.3
95.39530	0.3
97.59328	0.3
99.08192	1.5
100.08544	0.3
101.06099	1.1
102.07802	0.3
107.01399	1.3
121.02968	8.1
122.03800	2.2
123.08176	5.9
124.01695	0.9
124.04051	2.7
125.02467	6.2
125.06106	9.1
126.02830	0.3
126.06449	0.3
136.05313	1.1
141.09224	1.1
147.08176	1.4
150.06859	0.3
151.00450	1.9
165.09221	59.5
166.09563	5.9
191.07156	1.7
191.10686	0.3
192.07431	0.3
209.08199	100.0
210.08554	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	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14450	0.3
59.01390	0.7
61.98834	0.6
69.48849	2.2
69.49272	0.5
79.01906	1.8
79.05531	2.2
80.02238	1.5
81.03464	5.2
86.41726	0.3
86.78362	0.3
91.06875	0.3
94.02995	1.3
95.01408	0.5
97.06612	0.5
107.26322	0.3
108.02242	0.5
121.02973	8.0
121.10246	11.0
122.03767	4.5
122.10568	1.1
123.00884	0.4
123.04527	0.8
123.08176	17.1
124.04041	3.0
124.08519	1.1
125.02502	0.5
125.06097	0.3
137.02403	0.9
151.00394	1.2
151.07693	0.3
152.00711	1.5
153.05141	0.5
165.09222	100.0
166.06035	0.5
166.09564	10.0
179.03459	0.5
181.08249	0.7
194.05583	0.7
209.08192	72.6
210.08554	8.8
213.07227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
59.01385	0.7
61.98832	1.1
69.72059	0.7
69.72484	1.3
71.01365	0.2
79.01911	0.2
81.03448	1.6
81.40369	0.2
82.51189	0.2
83.05040	0.5
85.02959	0.4
91.05531	0.3
93.03461	0.4
93.07121	0.7
94.02988	1.2
95.05060	0.7
97.06538	0.3
98.20603	0.5
105.07139	0.8
117.98097	0.2
119.05021	2.1
121.02972	11.5
121.06623	0.7
121.10253	9.2
121.53815	0.2
122.03333	0.8
122.10581	0.7
123.08180	17.8
124.04074	4.8
124.08517	1.0
125.02486	0.5
125.06125	2.0
135.04520	2.5
136.05341	1.7
137.02452	0.5
137.06114	1.3
142.76619	0.2
150.03217	0.4
150.06813	0.2
153.01874	0.3
163.04041	0.9
165.05595	3.6
165.09224	100.0
166.06001	0.3
166.09564	9.3
168.04341	0.3
178.99852	0.3
179.03433	0.4
181.05051	0.6
191.03525	9.3
192.03868	1.0
194.02310	0.6
209.04836	7.7
209.08197	60.5
209.11821	3.8
210.05043	0.6
210.08553	6.6
210.12061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10202	0.2
52.55297	0.1
57.03447	1.4
59.01380	1.2
60.51992	0.1
63.02401	0.5
65.00323	2.4
67.01894	0.3
68.99815	0.2
77.85435	0.1
80.02686	0.2
81.03465	13.7
82.03800	0.5
82.46131	0.1
83.01389	2.4
83.05042	0.5
93.03450	0.2
94.03007	0.5
95.05010	0.3
96.11782	0.1
97.02975	0.1
99.08180	1.4
101.06096	1.2
104.37048	0.1
107.01400	2.1
107.05072	0.2
121.02981	4.2
121.06610	0.3
122.03785	4.6
123.00973	0.1
123.04613	0.3
123.08189	6.1
124.01693	0.2
124.04078	1.3
124.08526	0.5
125.02473	5.7
125.06106	10.7
126.02812	0.3
126.06453	0.9
128.09572	0.2
134.96033	0.2
135.08235	0.2
137.09776	0.1
141.09248	0.6
144.09132	0.2
147.08232	0.5
148.01660	0.2
149.06140	0.2
151.00407	3.9
152.00996	0.3
163.07732	0.2
165.09233	50.9
166.09578	4.7
167.07147	0.4
175.03961	0.2
176.04817	0.9
179.03568	0.2
191.07172	1.9
192.07578	0.2
194.02122	0.2
194.05959	0.2
209.08205	100.0
210.08551	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10202	0.2
52.55297	0.1
57.03447	1.4
59.01380	1.2
60.51992	0.1
63.02401	0.5
65.00323	2.4
67.01894	0.3
68.99815	0.2
77.85435	0.1
80.02686	0.2
81.03465	13.7
82.03800	0.5
82.46131	0.1
83.01389	2.4
83.05042	0.5
93.03450	0.2
94.03007	0.5
95.05010	0.3
96.11782	0.1
97.02975	0.1
99.08180	1.4
101.06096	1.2
104.37048	0.1
107.01400	2.1
107.05072	0.2
121.02981	4.2
121.06610	0.3
122.03785	4.6
123.00973	0.1
123.04613	0.3
123.08189	6.1
124.01693	0.2
124.04078	1.3
124.08526	0.5
125.02473	5.7
125.06106	10.7
126.02812	0.3
126.06453	0.9
128.09572	0.2
134.96033	0.2
135.08235	0.2
137.09776	0.1
141.09248	0.6
144.09132	0.2
147.08232	0.5
148.01660	0.2
149.06140	0.2
151.00407	3.9
152.00996	0.3
163.07732	0.2
165.09233	50.9
166.09578	4.7
167.07147	0.4
175.03961	0.2
176.04817	0.9
179.03568	0.2
191.07172	1.9
192.07578	0.2
194.02122	0.2
194.05959	0.2
209.08205	100.0
210.08551	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01386	1.4
63.02397	0.5
65.00323	2.3
68.99816	0.3
71.05023	0.3
80.02713	0.4
81.03462	12.9
82.03795	0.4
83.01396	2.2
83.05023	0.3
94.02995	0.8
95.05041	0.2
97.06617	0.2
99.08170	2.4
101.06087	1.8
105.07107	0.7
107.01392	1.5
107.05062	0.5
121.02970	5.4
121.06578	0.5
122.03336	0.4
123.08178	6.5
124.01681	1.2
124.04060	2.1
124.08557	0.4
125.02472	4.5
125.06098	13.2
126.06435	0.7
128.59644	0.2
135.04614	0.2
136.05299	1.3
137.06046	0.4
141.09271	1.1
147.08173	2.3
149.06084	0.3
150.06860	0.6
151.00386	2.9
152.01143	0.8
165.09219	48.7
166.09550	3.9
167.07222	0.5
180.04356	0.2
191.07153	3.7
192.07445	0.3
193.05019	0.2
194.05833	0.4
209.08194	100.0
209.11630	2.4
210.08548	10.3
210.11891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1392
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01881	2.1
56.63623	0.6
57.03450	31.2
58.03783	0.8
59.01383	57.8
60.01722	0.9
61.98830	2.6
63.02408	1.7
65.00332	1.2
65.03959	0.6
67.01882	0.9
68.99841	0.6
69.68210	1.3
69.68607	4.6
71.01395	4.4
71.05022	2.1
72.99314	1.1
75.00893	3.3
77.03976	1.1
78.04755	10.8
79.05540	100.0
80.02702	1.4
80.05867	4.7
81.03468	4.9
83.01401	1.7
83.05028	4.6
85.02966	2.5
85.06598	14.2
85.07089	1.0
85.19402	0.5
87.00905	0.7
89.02438	0.6
91.01904	1.3
93.03495	1.5
95.05056	2.5
96.96014	0.8
97.02969	1.7
99.00897	2.7
101.02465	1.4
106.04216	1.0
107.01391	1.3
107.05043	6.2
109.02974	1.2
109.06611	45.7
110.06947	3.0
111.00894	0.7
111.04539	7.8
111.67449	0.6
115.00409	0.7
119.05047	2.2
121.06593	6.2
122.02522	1.6
123.04493	1.2
129.01979	10.8
135.00903	0.7
135.04543	1.0
135.08195	8.3
137.09749	15.9
138.10094	0.9
139.07651	0.6
142.02757	1.0
147.03017	8.8
147.04367	1.2
147.08182	2.6
148.03348	0.7
149.02522	1.2
149.09744	46.6
150.10059	3.3
151.00356	4.1
152.01222	0.7
161.09741	2.1
163.00439	0.7
163.04088	0.8
163.07671	2.0
163.11307	16.0
164.08452	2.6
164.11685	1.4
164.89584	0.6
165.05577	1.1
169.01469	0.9
177.01958	7.2
178.05400	1.6
178.99867	3.5
179.07196	0.9
179.10898	0.6
179.14481	1.2
181.08797	0.8
189.12920	2.9
192.04311	8.4
193.04820	0.9
206.99365	5.4
207.01007	0.7
207.03096	3.7
207.06641	4.1
207.10298	18.9
207.13911	25.7
207.99721	0.8
208.10555	2.3
208.14166	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	206.9746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76813	0.1
57.03459	0.2
59.01381	3.7
61.98833	100.0
62.98537	0.4
63.99267	0.2
69.53207	1.0
71.01391	0.4
73.42637	0.1
73.68353	0.1
75.00868	0.3
84.44135	0.1
85.02979	0.2
98.20663	0.2
99.00909	0.4
101.02498	0.1
114.10703	0.1
122.02494	0.1
129.01962	0.9
147.03004	0.8
147.04585	0.1
149.02505	0.2
162.98477	1.1
164.89526	0.1
164.96446	0.5
165.05592	0.2
177.01973	0.6
192.04276	0.8
206.97467	9.6
207.06604	0.3
207.97569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18129	0.8
53.39468	0.8
54.29907	0.8
54.57408	0.6
55.01876	0.9
55.27333	0.7
56.42325	0.8
57.03452	0.6
57.24257	0.7
59.01382	18.0
67.67191	0.6
69.62759	5.1
71.01379	1.7
73.02967	0.9
75.00880	0.8
77.03997	1.2
79.01913	0.7
81.03463	0.7
83.38025	0.6
85.02932	0.7
91.01904	1.2
92.99869	1.2
97.02964	15.0
99.00861	1.1
107.05049	8.4
109.02978	0.8
113.07384	0.8
117.87234	0.6
121.03011	1.4
123.04536	18.9
129.01968	5.0
133.02922	1.0
134.75774	0.7
135.00926	0.8
147.03004	3.1
147.04530	3.2
149.02440	4.9
151.04028	44.1
152.04379	2.6
158.91008	0.7
161.06136	1.5
163.00368	1.8
163.07642	2.7
165.05580	1.0
170.72083	0.7
177.01950	9.9
178.99832	1.2
179.03493	1.0
179.07130	7.1
180.04271	2.2
189.05550	6.3
192.04295	1.9
207.06633	100.0
208.07123	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	206.0824
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
57.03438	1.4
58.02979	33.8
59.01382	22.3
63.02390	2.2
65.00322	2.2
67.03915	1.0
70.02989	12.4
71.72134	1.6
72.00918	4.7
72.99368	0.9
83.01388	2.6
85.25209	0.9
91.05551	9.8
92.68649	0.9
93.03496	0.9
107.01404	4.3
113.43253	0.9
129.01974	6.2
135.04509	1.9
142.48988	0.9
147.03058	3.8
147.04546	37.9
148.04922	2.5
151.00391	11.1
162.09236	1.5
163.07521	1.0
164.07190	100.0
165.07590	5.9
169.01439	2.2
177.01935	3.2
178.99901	7.6
192.04243	3.3
206.05344	1.8
206.08235	44.8
206.16449	1.1
206.99370	14.3
207.03011	1.4
207.06662	2.5
207.08580	4.5
207.10329	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
57.03446	0.9
58.02975	100.0
59.01381	18.5
59.03318	1.9
63.02411	0.7
69.67828	3.6
70.02982	4.5
71.01396	2.2
72.00910	2.0
75.00874	1.1
76.43254	0.4
79.95731	0.4
83.01405	0.7
85.02962	0.8
91.05526	3.1
99.00880	0.6
104.58086	0.4
107.01400	1.0
119.05037	0.9
129.01952	3.9
135.04543	0.9
147.03040	2.0
147.04541	16.2
148.04842	1.2
151.00401	1.3
159.53220	0.5
162.09250	0.8
163.04039	0.9
164.07181	60.8
164.89612	0.5
165.05533	0.5
165.07539	5.3
177.01981	2.1
178.99875	0.6
192.04291	3.3
206.05254	1.2
206.08226	43.1
206.99355	1.8
207.02991	1.8
207.06630	1.7
207.08559	5.2
207.10368	0.8
214.42143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0872
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
59.01379	5.1
59.01667	0.3
59.03962	0.2
61.98835	0.2
69.44741	2.4
71.01386	2.8
71.01690	0.2
72.99320	1.2
73.02951	0.3
75.00900	0.9
78.05650	0.3
83.01395	0.4
85.02977	0.4
87.00867	1.4
93.03454	0.3
96.99361	0.3
99.00899	1.5
99.29907	0.2
108.02238	0.3
109.02998	0.5
111.00902	0.6
115.00392	3.0
117.03556	0.3
117.07149	0.4
121.02986	0.8
122.03760	6.7
122.04626	0.5
123.04128	0.4
124.01670	0.4
124.98824	0.6
125.02456	0.4
129.01961	0.3
133.03003	0.3
133.06599	0.4
134.03755	0.3
134.06073	0.2
135.04492	0.5
135.08304	0.3
137.02483	0.9
142.99911	0.7
145.01434	0.5
146.03764	0.3
147.04546	8.6
148.05310	1.2
149.06137	1.3
154.02744	0.9
154.99945	0.4
161.02426	1.4
161.06079	1.4
161.09763	0.4
162.06813	0.3
162.89389	0.8
163.04059	0.2
164.07254	0.2
169.73689	0.2
175.02769	0.5
175.04027	20.3
176.04803	100.0
177.01924	0.6
177.05150	8.8
177.09216	1.4
187.07597	0.8
189.01927	1.3
190.02704	1.4
205.01584	0.5
205.05112	17.8
205.08699	38.3
205.15981	3.4
206.05496	2.0
206.09067	4.2
206.16330	0.5
222.01711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0871
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
56.80078	0.2
59.01383	2.8
59.54098	0.2
66.91758	0.2
70.87435	0.9
71.01390	1.6
72.99314	0.7
75.00879	0.5
84.85775	0.3
87.00904	0.6
93.03497	0.6
99.00901	1.0
106.04259	64.1
107.04591	3.0
108.02187	1.1
111.00864	0.3
112.78718	0.2
115.00375	1.6
117.07110	0.3
121.02968	0.9
138.03250	16.4
139.03584	0.9
142.99861	0.4
146.07401	0.6
150.03239	5.1
159.08194	0.3
161.09740	100.0
162.10078	10.3
162.89381	0.5
182.02238	5.8
183.02464	0.3
189.01979	0.7
190.02730	0.7
190.99931	0.3
205.05202	10.0
205.08704	66.2
205.16046	2.1
206.05383	1.0
206.09056	7.2
222.01747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03449	5.2
58.00587	1.8
58.50757	1.8
59.01380	45.6
60.99306	2.3
67.01898	1.9
67.86295	1.7
68.99830	3.1
69.86514	13.5
71.01384	35.7
72.99318	22.0
73.02958	7.0
75.00877	13.1
83.01396	9.2
85.02963	5.8
87.00892	14.6
89.02453	10.4
98.19953	2.9
99.00895	37.9
101.02457	6.5
103.00357	2.1
111.00899	19.4
112.98826	100.0
113.99150	3.8
115.00394	20.0
117.01968	7.1
124.98804	3.5
125.02457	18.0
126.06193	1.9
127.00395	3.9
129.01984	8.2
142.99870	5.7
145.01471	13.5
145.04999	2.7
154.99898	2.9
173.00938	9.8
183.99802	1.9
187.02556	2.6
205.03407	3.2
205.05115	3.6
205.15999	2.7
218.28345	1.8
222.85345	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	205.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
68.27460	0.3
69.73735	1.7
71.01396	1.7
72.99323	0.8
75.00869	0.3
77.91116	0.3
83.01419	0.6
87.00898	0.4
87.66155	0.3
92.63279	0.3
93.03492	0.7
99.00907	0.8
106.04262	65.1
107.04600	3.9
108.02193	1.4
115.00375	1.2
121.02985	1.0
121.07937	0.3
121.37124	0.3
125.60377	0.3
138.03252	15.9
139.03610	1.2
142.99864	0.4
146.03882	0.3
146.07436	0.8
150.03249	5.2
159.08202	0.5
161.02493	0.9
161.09741	100.0
162.10092	9.7
182.02214	6.3
183.02472	0.3
189.01950	0.8
190.02716	1.7
197.27461	0.3
205.05106	21.2
205.08702	74.5
205.15956	1.9
206.05492	2.2
206.09048	7.6
211.56270	0.3
222.01712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
54.16176	2.2
55.01867	7.3
57.03440	7.2
59.01380	47.8
65.78590	1.9
66.65643	1.9
67.01887	6.9
68.99817	7.0
69.03458	2.4
69.79481	8.2
69.79895	5.7
71.01382	47.7
71.05022	7.4
72.99313	43.5
73.02953	13.4
75.00884	30.7
76.57236	1.9
81.03468	20.2
83.01379	15.5
83.05038	3.8
85.02958	12.5
87.00887	44.5
89.02455	7.9
96.99300	4.0
97.02931	2.1
97.07736	2.0
99.00892	43.9
99.04543	14.1
101.02449	23.9
103.00384	4.1
111.00901	90.8
112.01246	4.4
112.98045	3.7
112.98828	61.4
113.02443	3.0
113.99168	2.9
115.00393	44.3
115.04003	4.9
116.00706	2.3
117.01942	13.3
124.98820	5.1
125.02466	100.0
126.02790	7.1
127.00407	4.4
127.90182	2.0
129.01932	10.4
131.03526	2.3
136.18871	1.9
142.99893	13.0
143.03543	15.7
143.07170	4.6
145.01454	26.1
145.05106	2.7
146.01701	1.9
154.99907	8.9
157.01486	2.9
169.01431	2.6
173.00955	11.9
173.92047	1.9
175.02440	2.0
187.02502	10.7
187.05998	2.4
205.03551	44.7
205.05388	3.6
205.07146	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	204.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.6
60.01715	1.8
61.01822	0.6
61.98832	100.0
62.98528	0.2
62.99274	0.1
70.16361	0.4
70.16782	0.2
71.01401	0.5
72.99316	0.3
75.00888	0.2
87.00919	0.1
99.00908	0.4
101.02457	0.1
115.00407	0.4
117.01880	0.1
117.86967	0.1
123.45497	0.1
142.99886	0.2
143.86560	0.1
145.01511	0.2
150.33374	0.1
161.01271	0.1
161.09752	0.1
162.01704	0.2
162.89374	0.1
163.32373	0.1
190.02748	0.2
204.00038	0.9
204.02690	0.8
205.00113	0.1
205.03154	0.1
205.05061	2.4
205.12360	0.2
205.16031	0.7
222.01791	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	203.0199
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
50.23908	0.5
51.02377	1.4
51.55462	0.6
55.01876	0.7
57.03443	3.5
59.01376	2.2
60.99307	2.1
67.01889	1.5
69.03458	60.1
70.03803	0.8
70.54272	0.6
70.56325	1.8
71.01387	42.0
72.01717	0.8
72.99309	8.0
73.02940	1.2
75.00875	3.5
79.01891	7.5
83.01389	1.8
84.04561	0.7
85.02959	6.6
87.00881	10.7
88.59377	0.7
95.01388	7.6
97.02966	83.7
97.06593	1.4
98.03291	3.8
99.00881	3.2
105.01958	0.7
111.00902	3.2
113.02487	3.8
115.00377	8.3
115.04007	1.0
115.07622	0.8
123.00887	3.4
127.04027	0.7
129.01926	3.6
132.04594	0.7
141.01964	17.8
141.05592	2.7
142.02245	0.8
159.03056	2.3
159.06671	0.9
160.04070	5.0
185.00961	1.4
185.04587	1.8
186.07668	1.5
203.01988	100.0
203.05710	3.5
204.02260	6.3
204.08737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
50.19998	0.5
56.80124	0.5
58.04181	0.6
59.01379	4.3
66.78249	0.5
69.03454	0.6
71.01379	1.2
71.47869	1.4
72.00912	26.1
72.01315	1.2
74.02479	34.5
88.39296	0.5
97.02962	0.8
99.02481	0.5
99.60638	0.6
103.92041	1.1
116.05080	100.0
117.04690	0.9
117.05426	7.1
130.06650	3.1
133.20493	0.5
142.06647	26.2
143.06955	1.6
157.07712	1.0
159.09303	20.0
160.04099	1.5
160.09647	1.5
161.04823	0.7
185.04585	1.1
185.07213	0.6
186.05641	4.2
203.02019	1.6
203.08282	77.3
204.03058	0.6
204.08612	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01713	1.7
71.47914	0.3
71.48254	0.5
108.18809	0.2
115.02541	0.4
116.50410	0.2
145.90022	0.2
157.03589	4.9
157.04866	0.3
158.03610	0.5
159.01500	3.7
160.01698	0.4
162.53413	0.2
167.91518	0.3
201.02565	18.3
202.02730	2.6
217.17456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.56290	0.3
57.03458	1.5
59.01385	2.4
69.03468	0.6
69.91480	2.0
70.15273	0.3
70.75243	0.3
71.01376	0.4
81.03470	0.9
83.05037	5.6
84.05372	0.4
85.02965	0.5
91.42739	0.3
92.22418	0.3
94.32226	0.3
109.06634	0.7
109.22061	0.3
111.00874	0.5
113.02467	0.6
133.10463	0.3
135.08205	1.0
137.09740	13.7
138.10097	1.1
153.01808	0.4
155.10802	100.0
156.11145	8.3
181.08731	3.7
199.09773	27.4
199.12465	0.4
199.13710	0.8
199.17026	0.6
200.10144	2.7
218.09793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0614
Annotation	3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
55.79440	0.5
57.03454	3.3
57.30505	0.4
59.01381	27.0
61.98819	1.0
65.00296	0.6
69.03450	0.9
69.81486	3.2
71.01378	1.0
71.05016	1.3
80.29952	0.5
81.03492	0.6
81.07119	0.5
81.23566	0.5
83.01415	1.1
83.05051	1.5
85.02961	100.0
85.06599	12.2
86.03293	2.6
93.03478	1.4
95.05039	76.1
96.05357	3.8
98.19951	0.8
99.04539	0.7
101.12272	0.6
111.00938	0.7
111.04544	1.3
111.08156	1.5
113.02469	2.0
113.06106	32.7
114.06432	1.7
125.02522	0.6
127.04028	1.6
127.07684	0.9
135.04553	0.8
137.06100	2.3
137.09747	1.1
155.07167	69.9
155.10736	4.7
156.07477	4.4
156.10231	0.6
156.89525	0.6
156.99654	0.6
172.68225	0.6
181.01460	0.5
199.00739	1.3
199.04277	1.0
199.06154	18.1
199.09755	3.5
199.13362	2.8
199.17024	2.4
200.03560	1.0
200.06563	1.5
200.09248	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1186
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03438	1.3
59.01385	2.4
61.98833	0.9
69.03462	2.2
71.01399	0.4
71.05022	0.4
81.03474	0.4
83.01401	0.4
83.05039	0.9
91.42160	0.3
95.01410	0.4
95.05016	0.6
98.20626	0.9
103.04840	0.3
105.82140	0.3
109.02985	0.9
109.35422	0.3
112.01662	0.5
113.02493	0.3
121.02973	0.6
123.00882	1.9
123.08211	0.4
124.34022	0.3
125.02427	0.8
125.06093	0.8
126.90517	1.0
135.08234	0.3
137.09740	2.4
138.03244	0.4
141.09232	0.6
151.00392	0.7
151.11293	0.9
153.01953	1.4
153.05565	0.8
153.09229	1.3
153.12897	3.7
160.84247	1.5
162.83934	5.1
166.99936	1.2
169.12361	12.9
170.12721	1.0
179.10808	2.0
180.11113	0.4
182.02263	3.3
197.04736	1.5
197.08150	4.0
197.11847	100.0
197.80772	2.9
198.04092	0.4
198.12186	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	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.4
57.03449	5.9
65.81834	0.2
69.03460	0.7
69.92374	0.8
69.92783	0.4
71.05014	0.4
79.92125	0.2
98.20591	0.5
125.09774	0.4
127.37809	0.2
137.09706	1.4
139.07646	0.9
153.09227	0.9
195.72514	0.2
197.11842	100.0
198.12183	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	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.3
59.01378	0.3
60.99306	0.6
69.03460	1.6
70.92136	0.3
95.05038	16.1
96.05377	0.6
98.19741	0.7
109.06641	2.2
121.06686	1.6
128.45053	0.4
135.08185	1.8
137.09746	65.6
138.10072	5.1
151.07689	0.5
153.12881	12.9
154.13235	1.0
157.20116	0.3
166.99994	0.4
171.13957	0.6
179.10805	24.7
180.11145	2.2
182.02307	0.7
189.28076	0.3
197.11850	100.0
198.12187	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	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03448	73.7
59.01383	39.7
65.12319	2.2
69.03459	100.0
70.03752	3.1
71.01385	2.5
71.05025	81.8
71.48158	4.0
71.48481	3.1
72.05369	2.8
73.62169	2.5
85.06603	10.3
88.90519	2.2
95.05034	3.4
101.62978	2.5
123.00900	5.1
125.09737	24.7
126.90511	4.7
137.09747	16.9
139.08566	2.5
153.12862	45.4
154.13342	3.6
160.84244	2.9
162.83919	9.7
166.99910	4.3
170.03755	8.3
181.47917	2.9
182.02243	7.6
197.02423	6.7
197.08235	9.7
197.11845	33.1
197.80836	6.9
198.03114	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	197.0457
Annotation	Syringic acid
Peak:m/z	Relative Intensity
53.48519	0.2
55.01892	0.2
57.03467	0.2
58.16401	0.2
59.01369	0.6
63.02404	1.0
65.00315	1.3
66.03463	0.3
67.01904	0.5
68.99820	0.6
69.03452	0.7
69.73135	0.5
69.73544	1.2
71.01379	0.5
77.00349	0.2
78.01112	1.0
79.01928	0.4
82.90633	0.2
83.01388	1.7
85.02961	0.7
89.00345	9.6
90.00671	0.4
91.01910	5.0
92.02247	0.3
92.99844	0.6
95.01396	3.7
97.02959	0.3
98.20675	0.4
99.00906	0.4
106.00621	9.2
107.00910	0.4
109.03005	0.3
109.06616	0.7
110.00093	0.3
111.00890	2.4
111.05479	0.2
112.98840	0.5
113.02473	0.7
121.02975	100.0
122.03316	6.4
123.00902	18.8
124.01198	1.1
125.02478	0.4
125.06107	0.9
125.99582	0.2
127.00401	2.3
127.07724	0.3
135.08168	0.5
136.98827	1.9
137.02440	0.6
137.99464	0.3
138.03236	8.5
139.00398	2.7
139.04042	1.2
141.01939	1.0
149.99586	0.3
153.05597	60.5
154.02733	0.9
154.04747	0.4
154.05930	4.4
154.99860	0.6
165.01942	0.9
166.99879	9.5
168.00249	0.7
182.02232	24.1
183.02577	1.6
197.04567	36.5
197.08211	9.5
197.11742	1.5
198.04918	3.3
198.08565	0.8
203.29129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00332	1.1
57.03444	1.0
59.01393	2.3
61.63248	0.3
61.98828	1.1
65.00305	0.5
65.03972	0.7
65.99844	2.3
67.01890	0.9
68.01399	1.0
68.99815	0.8
69.03445	0.5
71.05023	0.4
76.01933	1.3
77.00343	0.6
78.03490	2.8
82.02947	0.4
83.01406	0.8
85.02964	0.4
89.01473	0.6
92.01421	0.7
92.99843	0.7
93.03485	0.5
94.02996	1.2
95.01399	2.4
95.05025	0.4
104.01453	2.6
104.99859	1.2
105.02222	0.4
106.02984	1.0
108.02199	1.0
109.02974	3.3
109.06596	0.6
113.29204	0.4
119.02525	0.7
120.00932	2.1
121.02977	1.0
122.02499	1.5
123.00897	2.7
125.02444	0.5
125.06097	1.2
126.09319	0.4
126.90528	1.7
132.00908	0.7
133.01706	2.7
136.00447	0.7
137.02492	1.7
137.09718	2.3
138.01987	2.4
138.03186	0.7
150.01988	6.3
153.00806	0.5
153.01968	1.1
153.05579	0.9
153.09225	0.7
153.12871	1.5
160.84225	1.6
162.83937	3.9
163.01535	1.0
166.99884	1.6
167.01155	0.4
167.02202	1.9
168.01736	0.7
179.01079	2.8
179.10796	0.7
180.01759	4.9
182.02237	3.8
182.05811	0.4
196.89511	0.6
197.02054	100.0
197.08095	4.4
197.11835	15.5
197.80812	3.0
198.02377	6.4
198.12146	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
51.27155	0.2
59.01380	28.1
60.01721	0.6
61.98820	1.2
66.03490	1.5
69.03428	0.3
71.01387	0.7
71.71809	0.2
71.72292	0.4
75.00871	0.4
79.01907	0.8
80.05003	0.3
81.03461	0.6
83.05040	0.7
85.02957	0.9
97.06605	0.4
103.92014	0.3
107.05042	0.3
109.06635	0.3
110.02515	0.7
111.04542	0.6
121.02982	0.2
122.03735	0.5
123.00840	0.6
123.04543	0.5
123.08173	0.6
124.04064	0.4
125.02441	1.0
125.06044	0.4
132.86813	0.4
135.06647	4.1
136.04085	0.3
136.07013	0.4
137.02437	0.3
150.03264	1.4
151.00397	0.8
151.03981	0.8
151.07660	0.8
151.11331	0.6
152.07236	0.4
160.84227	4.6
165.01968	1.4
165.05553	1.4
167.14452	0.4
167.43295	0.3
175.11346	0.4
177.05577	1.3
177.12880	3.2
178.13184	0.4
180.04373	1.6
182.06357	0.3
194.90546	0.4
194.99324	0.4
195.02962	0.9
195.06668	8.7
195.13914	100.0
195.81123	2.2
196.07030	0.6
196.14258	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	195.0665
Annotation	2,3-Dihydroxy-p-cumate
Peak:m/z	Relative Intensity
54.41997	0.2
59.01380	9.3
66.03519	0.4
71.01398	0.3
71.04876	0.5
75.00877	0.4
81.03471	1.9
85.02985	0.5
85.40840	0.3
91.05534	3.2
104.19461	0.2
107.05047	0.5
107.08688	10.8
108.09021	0.6
109.06606	15.5
110.06938	1.0
110.33507	0.3
111.04523	1.6
122.03788	0.3
125.02492	0.3
126.75303	0.3
135.04573	0.5
135.06641	2.0
136.05318	0.7
150.03256	1.4
151.07669	100.0
152.08018	8.8
165.01936	0.4
165.05629	0.8
167.03401	0.4
177.05612	0.3
180.04276	0.6
195.06639	53.4
196.06993	5.7
196.30896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0665
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
57.03450	0.4
59.01384	9.8
61.98839	0.3
63.02412	0.3
65.00327	1.4
66.03483	0.4
75.00894	0.3
81.03471	13.3
82.03808	0.5
83.01395	1.3
85.02968	0.3
85.06605	1.6
87.04542	1.9
107.01403	1.1
107.05066	0.7
107.58352	0.2
109.06607	5.8
110.06944	0.4
111.04538	10.0
112.04854	0.3
121.03004	0.2
123.00896	0.4
124.01657	0.6
124.04049	0.3
125.02472	4.9
125.06117	0.4
126.02814	0.2
127.07700	1.1
133.06636	2.0
135.04619	0.2
135.06665	1.5
136.05344	2.7
137.02507	0.3
150.03244	1.0
151.00432	1.6
151.07674	66.2
152.01097	0.4
152.08022	5.0
153.05573	0.7
160.84242	0.8
165.01933	0.5
177.05594	2.3
177.15845	0.2
180.04312	0.9
195.06651	100.0
195.81169	0.3
196.07016	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01384	3.8
59.79539	0.2
60.83427	0.2
63.02402	0.2
65.00319	2.4
65.37473	0.2
66.03493	0.2
66.62418	0.2
67.05509	0.2
69.61916	1.0
78.75463	0.2
80.02715	0.2
81.03466	12.3
82.03811	0.7
83.01394	2.0
85.02934	0.2
85.06600	2.3
87.04531	1.9
91.05538	0.2
95.01415	0.3
98.20684	0.3
105.07113	0.3
107.01418	1.8
107.05028	0.7
108.02205	0.2
109.06605	7.7
110.06979	0.4
111.04534	13.2
112.04890	0.6
121.06574	0.2
122.03728	0.2
123.08167	0.2
124.01681	0.8
125.02470	4.6
125.06036	0.2
126.02824	0.3
127.07670	1.4
133.06628	3.6
134.06990	0.2
135.04539	0.3
135.06659	0.6
136.05331	2.0
139.28691	0.1
149.06070	0.2
150.03207	0.3
150.70291	0.1
151.00412	2.8
151.07668	56.9
152.01106	0.3
152.08011	4.8
153.05565	0.8
165.05577	0.3
177.05591	3.7
178.05910	0.2
180.04323	0.3
195.06641	100.0
196.06985	9.7
196.08900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0511
Annotation	L-Idonate
Peak:m/z	Relative Intensity
50.55661	0.6
54.77301	0.7
57.03452	4.3
58.00593	1.0
59.01383	24.6
64.75582	0.7
68.99834	0.7
69.03471	1.1
69.86024	3.1
69.86436	1.8
71.01387	10.8
72.99315	6.2
73.52052	0.7
75.00880	100.0
76.01206	1.4
78.95908	6.7
83.01394	1.6
85.02966	9.0
87.00887	12.1
89.02451	8.6
96.39723	0.6
96.96032	18.8
96.96970	10.8
99.00898	8.3
101.02445	2.3
105.01945	3.0
111.00922	3.2
129.01964	34.9
130.02274	1.4
135.02975	2.6
141.01958	3.9
145.19467	0.8
147.03004	0.8
150.03203	0.7
152.91739	1.4
152.94460	1.7
156.91238	1.0
157.07932	0.7
159.01834	1.2
159.03041	14.8
160.84253	9.3
177.04068	4.9
177.27934	0.7
194.92805	1.2
194.95618	1.0
195.05113	89.1
195.06459	3.7
195.81108	3.7
196.05434	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.00630	0.1
55.01882	0.1
57.03455	0.6
57.38180	0.1
59.01379	3.9
60.99332	0.1
66.43040	0.1
67.01894	0.9
69.03455	0.6
69.83330	0.9
69.83640	0.3
70.42563	0.1
71.01387	2.0
71.04998	0.1
72.99318	0.2
73.02946	0.9
73.22866	0.1
81.03457	0.8
83.01397	0.3
83.05029	1.0
85.02959	22.6
86.03294	0.8
87.00884	6.3
93.03466	6.5
93.62685	0.1
94.03805	0.3
95.01407	0.3
98.19926	0.2
99.04507	0.8
100.62190	0.1
101.02470	0.3
108.02151	0.2
109.02981	1.9
110.03349	0.1
111.00899	5.2
111.04526	2.0
112.01228	0.2
113.02493	0.3
125.02444	0.2
127.04032	4.3
127.09095	0.1
128.04349	0.1
129.01964	0.1
137.02480	0.4
142.45290	0.1
146.90259	0.1
149.05293	0.1
153.01906	0.2
155.03517	0.3
171.03014	1.2
173.04532	1.7
191.05623	100.0
192.05968	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	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03450	0.6
58.00581	0.2
59.01380	3.7
61.78615	0.1
67.01884	1.2
69.03455	0.6
70.09818	0.7
70.10125	0.2
71.01381	1.9
72.99304	0.2
73.02956	0.8
81.03477	0.8
83.01424	0.2
83.05032	1.0
85.02960	22.6
86.03286	0.9
87.00885	5.7
88.01207	0.2
93.03468	6.8
94.03799	0.3
95.01401	0.3
99.00883	0.3
99.04534	0.8
101.02452	0.3
109.02967	1.6
111.00900	3.6
111.04538	2.2
113.02463	0.3
127.03128	0.3
127.04037	4.6
127.04972	0.3
128.04355	0.2
129.01971	0.2
129.05600	0.1
137.02469	0.3
143.03481	0.2
155.03503	0.3
163.72035	0.1
167.43610	0.1
171.03021	1.4
173.01132	0.2
173.04578	1.7
174.04955	0.1
191.05626	100.0
192.05966	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.73058	0.1
56.71444	0.1
57.03463	0.7
59.01379	2.0
60.99277	0.1
63.83307	0.1
66.86003	0.1
67.01895	0.6
69.03457	0.4
70.59348	0.4
71.01385	1.2
73.02950	0.6
81.03468	0.5
83.05025	0.7
85.02959	16.2
85.33577	0.1
86.03291	0.5
87.00884	6.2
88.01211	0.1
93.03469	4.2
94.03790	0.2
95.01376	0.2
99.00877	0.2
99.04522	0.7
100.92868	0.1
101.02454	0.1
109.02969	1.5
111.00900	7.4
111.04529	1.7
112.01233	0.4
113.02458	0.2
125.02509	0.1
127.04026	3.4
128.04366	0.2
129.01950	0.6
137.02495	0.2
155.03488	0.2
171.03020	0.9
173.00914	0.2
173.04572	1.5
191.05626	100.0
192.05969	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	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.83915	0.1
57.03435	0.3
57.65014	0.1
59.01374	1.6
67.01891	0.5
69.03465	0.2
71.01391	1.1
72.58164	0.1
73.02942	0.3
73.80606	0.1
76.73019	0.1
76.90158	0.1
81.03475	0.4
81.06005	0.1
83.05031	0.4
85.02962	11.2
86.03286	0.3
87.00881	2.4
93.03468	3.4
99.04504	0.6
109.02986	1.0
111.00888	0.9
111.04520	1.1
127.04038	2.4
128.04381	0.2
140.60786	0.2
150.93161	0.1
155.03526	0.2
171.03030	0.8
173.04538	1.4
174.66145	0.1
191.05629	100.0
192.05983	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	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.6
59.01370	2.5
67.01904	1.2
69.97935	4.0
71.01375	1.9
73.02943	0.6
79.99627	0.7
85.02959	32.3
87.00883	32.8
88.01202	1.0
93.03497	3.3
109.02939	1.3
111.00896	83.3
112.01224	3.8
127.04008	2.9
129.01971	5.9
130.99956	1.1
147.02942	0.7
171.02980	0.8
173.00960	1.7
173.04509	1.4
188.89813	0.7
191.02042	14.5
191.05629	100.0
192.05942	6.7
213.11171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
59.01372	2.0
67.01890	1.5
69.03434	0.4
71.01392	1.1
71.46259	0.7
73.02950	0.3
75.56620	0.3
84.81219	0.4
85.02961	27.4
86.03291	0.9
87.00887	27.7
93.03469	3.0
99.00945	0.4
99.04506	0.5
105.24562	0.3
109.02972	0.8
111.00897	69.6
111.04546	1.1
112.01232	3.1
127.04022	2.6
129.01956	4.4
130.99846	0.7
138.46974	0.4
147.02995	0.5
154.99982	0.6
155.03529	0.3
171.03052	0.7
173.00954	1.7
173.04546	1.2
188.57887	0.4
191.02036	13.4
191.05627	100.0
192.02240	0.5
192.05981	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	191.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49807	0.3
54.22747	0.3
56.23903	0.3
57.03447	4.9
59.01369	1.5
67.01894	2.1
69.03455	0.5
71.01383	1.1
71.47746	0.6
71.58396	0.3
73.02937	0.5
81.03471	0.5
83.05019	0.5
85.02960	36.0
86.03301	1.2
87.00886	42.4
88.01218	0.9
93.03477	3.1
99.04510	0.7
101.02442	0.6
107.50253	0.3
109.02967	0.6
111.00899	100.0
112.01234	3.9
126.58549	0.3
127.04018	2.1
129.01961	6.5
130.99883	1.2
147.02991	0.6
154.99910	0.6
171.02956	0.6
173.00949	2.7
173.04594	0.7
191.02011	17.9
191.05626	70.1
192.02306	1.1
192.05986	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	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
51.72565	0.2
61.07429	0.1
69.83138	0.9
94.53460	0.2
102.03503	0.5
116.05099	0.2
134.78600	0.2
144.04568	100.0
145.04915	8.0
145.06096	0.3
147.69994	0.2
159.03311	0.2
188.03545	4.8
189.03879	0.5
189.07826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03449	6.1
59.01381	10.7
61.85661	0.4
65.21886	0.3
67.01888	1.9
69.53596	1.5
69.54023	1.9
71.01385	0.7
72.99297	0.4
73.02962	1.3
73.29111	0.3
73.60850	0.3
79.55676	0.4
83.01421	0.5
85.02960	32.5
86.03309	1.3
87.00886	45.6
88.01218	1.7
93.03476	1.9
98.20626	0.7
101.02451	0.8
103.04000	0.5
109.02970	0.4
109.04243	0.3
111.00896	100.0
112.01234	3.9
127.04063	1.3
129.01962	5.5
130.99864	0.6
131.03523	0.7
147.03056	0.5
147.04430	0.4
154.99927	0.8
163.00383	0.5
163.87317	0.4
173.00890	1.9
173.04663	0.4
176.01129	1.1
190.88431	0.9
191.00160	0.5
191.01967	13.5
191.03638	1.7
191.05620	27.4
192.02335	0.6
192.05991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1342
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
52.64197	0.3
57.03458	0.7
59.01381	2.9
61.98813	0.5
68.99822	0.7
69.03458	0.3
71.01389	1.9
71.01712	0.3
71.05008	0.3
71.72125	0.4
71.72485	0.3
73.02980	0.3
80.07124	0.3
83.05021	0.4
88.04012	0.3
96.99323	1.2
97.06590	0.7
99.00891	0.3
101.90701	0.3
111.08183	0.6
123.08192	0.6
124.98875	0.3
125.02361	0.4
125.06153	0.4
125.09733	6.4
126.10078	0.6
139.11320	0.6
141.12875	21.5
141.86874	0.8
142.13196	1.7
143.05005	0.4
144.04576	1.0
159.04547	0.3
159.87848	0.6
168.97865	0.7
169.12257	0.7
172.05307	0.3
185.11848	0.8
187.04062	1.6
187.07765	1.2
187.09802	4.3
187.13409	100.0
188.10092	0.4
188.13753	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
55.01875	1.0
57.03437	1.2
58.84059	0.7
59.01376	8.2
69.03449	1.1
70.72259	0.8
71.01382	8.7
71.71864	1.1
72.99304	9.4
87.00890	1.9
97.06599	90.0
98.06934	5.9
99.00897	12.2
105.07079	0.8
107.08683	5.4
115.72706	0.6
117.01958	0.8
119.68539	0.7
123.08179	21.9
124.08530	1.6
125.02426	0.6
125.06167	1.0
125.09742	21.7
126.10112	1.5
129.05606	0.6
135.67401	0.7
141.09232	2.7
143.04976	0.9
143.07140	0.8
143.10733	1.1
144.04578	4.6
144.05533	0.8
151.07658	18.5
152.07957	2.0
159.04601	1.1
167.07181	1.6
168.88867	0.6
169.08725	5.7
170.08992	0.8
172.05284	3.6
173.05666	0.8
174.95888	0.7
187.04144	4.2
187.07710	22.0
187.09773	100.0
187.13327	2.2
188.03610	1.4
188.08292	1.2
188.10126	8.2
204.04277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0251
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
58.02993	0.7
59.01374	1.4
61.22612	0.4
62.45188	0.4
67.01896	1.4
71.05038	1.9
71.46038	0.5
71.46369	0.6
81.03471	4.9
97.02998	0.5
98.02515	0.6
99.04534	44.6
100.04894	1.8
100.07688	0.5
102.05632	2.0
109.67342	0.4
115.03259	0.8
115.04031	8.4
116.03544	0.8
116.84637	0.5
122.26161	0.5
124.69017	0.4
125.02464	100.0
126.02815	6.2
128.03563	1.7
132.59395	0.5
143.03529	10.5
144.02982	0.7
144.03984	0.6
144.06645	1.0
187.02504	16.1
188.02846	1.2
188.05598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1548
Annotation	Undecanoic acid
Peak:m/z	Relative Intensity
50.90591	0.3
55.22179	0.3
59.01374	0.4
69.54797	1.2
69.55225	1.1
82.65357	0.2
84.99330	0.4
96.96976	0.3
97.02941	0.3
97.06571	0.3
98.19913	0.5
101.72211	0.3
103.48011	0.3
112.98791	0.9
114.81429	0.2
141.09229	0.6
141.21304	0.3
143.16780	0.2
185.15486	100.0
186.11285	0.3
186.15826	10.8
200.57355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20582	0.2
59.01374	0.3
62.04017	0.2
64.23687	0.2
69.93619	0.7
69.94054	0.7
74.92376	0.2
79.66441	0.2
91.90787	0.2
95.01399	0.2
111.00890	0.3
111.04507	0.3
112.98563	0.2
139.11288	0.3
165.13025	0.3
175.30756	0.2
183.06639	1.0
183.13913	100.0
184.14249	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	185.1185
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.18082	0.4
59.01381	0.4
69.03463	4.3
69.91767	2.0
69.92175	0.7
71.05003	1.0
78.95901	0.5
80.83696	0.4
98.49248	0.5
101.33070	0.5
109.06602	0.6
125.09750	0.7
137.09727	0.8
139.11314	7.6
140.11632	0.7
141.09250	1.7
141.12888	0.7
160.98401	0.5
185.11855	100.0
186.12233	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	185.1185
Annotation	Epomediol
Peak:m/z	Relative Intensity
55.43837	0.4
57.03442	0.6
57.97540	0.4
59.01382	100.0
60.01710	2.0
68.99821	0.5
69.03456	0.6
71.72340	0.4
72.28916	0.4
73.02943	2.7
78.95909	0.4
81.12128	0.4
95.77755	0.4
97.02988	0.8
97.06646	0.6
99.04546	0.5
100.04105	0.5
112.98837	2.4
113.02431	0.5
115.92080	0.5
117.38586	0.5
120.66241	0.4
120.98843	0.4
123.00938	0.5
123.08202	1.1
125.09778	0.9
128.14192	0.4
141.09250	2.9
166.99889	0.5
185.02443	1.2
185.08266	1.1
185.11868	20.3
186.12213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.73943	0.3
68.99564	0.5
69.03459	0.3
71.48859	0.6
85.02977	0.4
85.30138	0.3
95.01436	0.3
95.05019	0.6
97.02942	0.4
111.00909	0.3
111.04528	0.7
112.04066	0.3
112.98573	0.5
126.69205	0.3
139.07645	0.3
139.11322	0.4
140.07166	0.4
155.07184	0.3
164.98363	0.3
165.01834	0.3
183.02971	0.5
183.06558	2.5
183.13911	100.0
184.06259	0.5
184.14258	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	183.1028
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
52.79343	2.3
54.66749	2.3
57.03447	33.7
59.01371	2.4
65.00332	3.4
68.99570	6.0
69.03462	100.0
69.03838	5.7
69.50774	5.4
69.51183	18.6
70.03809	4.1
71.01379	2.6
71.05023	24.2
81.26064	2.3
85.06602	5.5
95.01463	3.0
107.57910	2.2
111.08179	30.5
112.08492	3.3
112.98579	10.7
113.06120	11.1
123.08195	8.4
139.04030	2.8
139.11305	43.9
140.11670	3.0
151.00395	3.4
153.09215	5.8
164.98291	3.3
165.09219	3.0
168.00653	4.8
183.06638	8.8
183.10277	89.6
183.13783	3.6
184.06158	2.6
184.10721	6.4
199.53418	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	183.1028
Annotation	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
52.77839	0.3
55.32488	0.3
57.03442	1.4
59.01366	0.8
64.42924	0.3
67.01893	0.6
67.48910	0.3
68.99571	0.8
69.03465	3.3
69.79180	0.4
70.86628	1.0
71.01399	0.5
80.02672	0.6
83.05025	3.6
85.02942	0.4
85.06597	7.4
95.01417	0.5
95.05051	1.4
97.06600	7.8
98.02499	0.6
98.06917	0.5
111.00898	0.9
111.04551	0.8
111.08176	1.3
112.98577	1.0
117.89668	0.3
123.08179	4.0
124.04057	0.4
135.79993	0.4
137.09729	1.6
139.11307	100.0
140.07227	0.3
140.11636	7.8
165.01918	0.6
165.09200	0.7
168.00578	0.9
183.00583	0.4
183.03001	0.6
183.06586	3.4
183.10284	6.3
183.13821	1.7
184.06111	0.6
184.10645	0.6
185.58072	0.4
189.75563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1025
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
57.03444	40.6
59.01376	11.5
61.01773	3.8
61.92079	3.9
65.99853	2.8
66.72707	3.1
68.99566	11.5
69.03461	94.3
70.09217	20.2
71.01395	8.4
71.05015	25.9
73.02978	3.9
73.44173	3.4
78.80626	3.3
83.04998	4.6
85.02960	16.5
85.06580	15.2
89.02428	4.2
95.01383	5.9
95.05047	18.6
97.02958	14.8
98.02482	12.7
107.05041	77.6
108.05347	4.5
109.03002	3.9
111.00904	11.4
111.04538	18.7
111.08172	32.1
112.04041	8.6
112.98573	16.7
113.02468	5.9
113.06097	14.6
119.31994	3.3
119.81064	3.3
121.06584	8.3
123.08166	9.7
123.23286	3.9
124.01671	17.9
124.04025	5.9
125.34782	3.5
139.03996	13.6
139.07637	11.9
139.11316	62.7
140.07188	8.7
152.98325	7.6
155.07153	6.3
165.01881	22.0
165.53384	4.4
168.00648	8.7
174.55556	4.0
177.48561	3.5
182.99487	4.2
183.03061	34.4
183.04411	6.1
183.06590	81.6
183.10263	100.0
183.13889	9.4
184.06108	5.8
184.10561	12.6
195.44493	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	182.046
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
57.03444	0.4
59.01374	0.7
60.01701	0.2
69.03458	0.7
69.46413	2.6
71.01382	0.9
71.05014	0.2
72.01720	0.6
72.81634	0.2
73.02967	0.3
79.95735	0.3
84.63452	0.2
85.02972	0.5
89.02470	0.6
90.02780	0.3
92.05067	3.0
93.03456	0.3
94.02992	1.3
95.05028	0.4
96.96018	1.9
97.02977	0.6
98.19900	0.6
101.02455	0.3
102.02775	0.3
108.04570	47.6
109.02926	0.2
109.04903	2.6
110.06141	0.9
111.04537	0.7
120.03772	0.4
120.04578	4.6
121.04861	0.3
122.02516	0.9
123.00840	0.3
123.03284	0.8
124.01695	0.4
136.04083	0.8
138.05630	100.0
139.04123	0.6
139.05986	6.7
139.07607	0.3
139.11290	0.4
140.53328	0.3
152.03517	0.4
152.98332	0.4
167.03061	0.7
168.00691	0.4
182.04604	26.5
182.07536	1.5
183.03229	2.1
183.04964	2.5
183.06680	1.3
183.10286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
58.00596	4.6
59.01381	92.8
60.01713	2.5
65.67888	1.9
69.03464	2.5
69.99722	5.1
70.00140	3.9
71.01390	75.7
72.01710	1.7
72.99316	8.9
73.02962	7.5
75.00877	44.3
75.01291	2.9
81.03468	3.6
83.01390	2.5
84.67195	1.6
85.02959	11.2
87.00887	24.3
89.02457	35.7
97.02954	3.1
99.00900	7.9
101.02434	10.6
107.05042	3.5
113.02453	7.5
117.01983	4.4
125.02460	4.3
129.95798	1.4
134.03745	15.3
135.04549	100.0
136.04892	5.6
141.01920	2.5
143.03523	5.5
161.04578	17.8
179.03554	14.2
179.05632	48.7
180.03874	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	179.0563
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
50.38301	0.7
57.03457	1.2
58.00595	5.5
59.01382	100.0
60.01711	2.5
60.24820	0.8
63.52954	0.8
65.50420	0.7
69.03465	0.8
69.99705	3.6
70.00114	1.3
70.02042	0.7
71.01390	77.6
71.05025	2.0
72.01727	2.4
72.99316	13.7
73.02947	7.8
75.00881	90.7
76.01224	2.0
81.03468	5.2
83.01394	3.1
85.02958	10.3
87.00880	16.6
89.02458	39.7
95.01402	2.6
96.96032	1.5
96.96943	0.8
97.02956	1.7
99.00903	7.1
99.04517	2.6
101.02458	7.6
109.51670	0.8
112.82158	1.0
113.02447	8.0
117.01967	1.9
119.03498	2.5
125.02456	3.1
131.03580	0.8
136.93971	0.7
141.01965	1.5
143.03523	9.9
145.00348	0.8
161.04585	13.4
179.05640	59.4
180.05965	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	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.00599	0.3
59.01382	4.1
60.01690	0.1
63.02404	0.5
63.39801	0.1
68.44112	0.2
69.96819	0.2
70.14501	0.8
71.01389	3.3
73.02935	0.2
78.64597	0.2
79.05546	0.3
83.01405	0.5
85.02960	0.6
87.00882	2.0
89.02458	1.5
89.03964	1.4
91.05548	1.2
93.03487	0.5
94.02990	0.2
95.01394	0.2
95.05047	0.2
98.20571	0.2
99.00911	0.4
101.02467	0.5
106.04268	1.1
107.01402	0.5
107.05052	4.6
108.02177	0.6
108.05388	0.2
109.02993	0.2
115.37041	0.2
117.01955	0.3
117.03481	2.1
121.02982	0.2
123.04516	0.2
125.02453	0.3
133.02971	0.3
134.03767	20.6
135.04549	100.0
136.04883	7.3
137.02446	0.2
141.01910	0.2
151.00417	1.0
161.04573	1.2
164.01180	0.2
169.01344	0.2
179.00093	0.8
179.03522	13.8
179.05592	1.7
179.07040	0.4
180.00317	0.2
180.03864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0347
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.90384	0.3
59.01381	4.6
69.03478	0.3
71.01395	4.4
71.48443	0.7
85.02975	1.0
87.00451	0.3
87.00896	2.1
89.02467	1.4
89.04000	0.9
91.05540	0.9
94.02980	0.4
99.00906	0.4
101.02448	0.5
106.04295	0.7
107.05044	3.1
113.02459	0.4
117.03500	1.4
133.03006	0.4
134.03767	13.8
135.04547	100.0
136.04866	7.7
161.04573	1.3
179.03520	17.1
179.05533	2.0
179.59503	0.4
179.71265	0.3
180.03876	1.4
184.49426	0.3
188.72168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01874	0.3
57.03452	0.3
58.00599	0.4
58.71352	0.1
59.01380	8.3
60.01713	0.2
63.02401	2.1
65.00321	0.6
66.03473	0.2
69.03479	0.3
70.08186	0.2
71.01385	7.1
71.05549	0.5
72.01708	0.2
72.99317	0.4
73.02947	0.4
79.01896	4.6
81.03451	0.2
83.01399	1.1
83.68629	0.1
85.02953	1.4
87.00883	5.0
89.02456	3.2
89.03975	0.3
91.05544	0.6
93.03495	0.2
94.02997	1.3
95.01397	1.4
97.02969	0.4
98.64543	0.2
99.00891	1.4
101.02475	1.4
106.04250	0.4
107.01411	2.0
107.05058	1.9
108.02211	0.2
109.02986	0.3
111.00912	0.4
113.02416	0.8
117.01953	1.0
117.03477	0.6
121.02924	0.2
121.06607	0.6
125.02465	0.5
125.06097	0.5
134.03766	6.8
135.04543	100.0
136.04872	7.8
137.02484	0.3
141.01961	0.6
144.94189	0.2
151.00385	3.6
151.04033	0.5
152.00763	0.2
152.04817	0.6
161.04584	2.9
164.01151	0.4
164.04872	0.2
165.05621	1.0
169.01440	1.4
175.26218	0.2
178.84402	0.2
178.99982	2.8
179.03526	21.2
179.05608	3.4
179.07140	1.5
180.03920	2.0
184.03818	0.2
190.88197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25512	0.2
59.01382	0.8
60.03503	0.1
60.20023	0.1
61.98834	0.5
69.42519	0.8
69.42947	0.9
71.01386	0.3
79.95739	0.2
85.02979	0.2
87.00906	0.4
89.02473	0.3
99.00974	0.2
119.93790	0.4
132.91615	0.2
134.96106	11.5
135.04536	0.2
135.96190	1.1
136.94029	100.0
137.94101	11.4
138.94469	0.2
151.92740	10.6
152.92825	1.2
154.95103	0.4
161.04556	0.2
178.95081	57.7
179.05653	0.3
179.95181	8.0
196.96156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10889	0.5
55.01877	0.5
57.03453	2.9
59.01382	41.4
60.99300	1.2
61.41875	0.5
65.03960	0.7
67.01897	6.1
69.03470	2.3
71.01392	2.9
73.02945	0.6
75.00880	1.2
77.04017	0.6
81.03476	3.6
83.01416	1.2
83.05031	3.2
85.02962	7.6
87.00894	8.4
89.02473	0.7
89.03998	1.2
93.03468	21.8
94.03806	1.5
95.05038	0.9
98.20628	1.3
99.00909	0.9
99.04526	1.2
105.03471	3.2
107.05054	1.2
108.02185	4.2
109.02966	9.3
111.00928	0.7
111.04529	5.0
113.02495	0.6
116.04345	0.6
121.03017	1.1
123.04554	0.6
127.04040	1.7
129.01961	6.4
132.02202	1.0
133.02980	15.9
133.06589	0.8
134.03778	6.0
135.04544	100.0
136.04872	7.9
137.02489	2.8
138.02887	0.6
139.04057	1.1
149.02484	1.5
155.03557	1.5
161.02449	1.8
162.03238	6.1
173.04587	0.9
175.53633	0.8
176.04039	22.4
176.54262	3.1
177.01945	24.7
177.05605	2.2
177.09224	0.7
178.02739	2.6
179.03516	90.3
180.03854	7.3
181.04041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
50.92768	0.5
57.03448	2.5
59.01376	5.6
63.55821	0.5
69.81606	3.0
71.01382	1.8
71.04979	0.5
73.02937	2.0
81.03451	1.5
84.35834	0.4
85.02955	1.5
85.06599	42.1
86.06921	2.0
87.00877	1.3
87.04517	1.6
93.03480	2.1
113.06100	38.2
114.06419	2.3
115.04026	100.0
116.04366	5.2
117.18223	0.4
124.76196	0.5
129.05618	2.6
131.07155	7.8
132.07426	0.7
134.03731	0.6
135.04526	5.4
143.17792	0.4
157.05069	9.8
158.05374	0.9
174.88989	0.7
175.06133	61.1
176.03961	1.5
176.06458	4.2
176.20737	0.5
179.03549	4.8
182.50931	0.4
183.51355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0821
Annotation	Suberic acid
Peak:m/z	Relative Intensity
55.01889	0.5
57.03450	5.0
58.00598	0.3
58.73150	0.2
59.01374	0.9
60.99302	0.5
62.33584	0.2
65.03965	0.4
67.01894	3.7
69.03448	1.3
69.66969	1.8
71.01389	3.6
71.75951	0.2
72.99311	0.4
73.02955	6.7
81.03456	1.9
83.01408	0.3
83.05032	14.6
84.05361	0.8
85.02962	1.4
93.03469	25.4
94.03803	1.6
96.15440	0.2
97.06653	0.2
97.41219	0.2
99.00892	2.2
99.04548	1.8
101.02438	0.4
109.02948	0.7
109.06604	3.2
111.00903	1.2
111.04539	7.0
111.08173	100.0
112.04886	0.4
112.08500	6.2
112.98807	0.4
113.02460	0.4
129.01945	0.6
129.09230	5.6
137.02451	3.9
138.02841	0.4
142.99918	0.5
143.03522	0.5
155.03508	1.5
155.07149	0.9
173.04643	8.9
173.08203	44.6
174.01736	0.8
174.03235	0.5
174.04819	0.4
174.08595	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	173.0457
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01879	4.0
55.17786	0.7
55.91378	0.6
56.47417	0.6
57.03441	3.0
58.00594	1.9
59.01380	3.4
60.63821	0.7
65.03964	2.7
67.01897	0.7
69.03467	2.4
69.45693	3.2
69.46116	4.1
71.01387	20.8
71.05027	1.3
72.01725	0.8
72.99311	2.0
73.02953	53.6
74.03285	1.9
79.37394	0.6
81.03466	5.8
83.01405	2.6
83.05031	19.8
85.02965	11.0
87.00888	1.5
93.03469	100.0
94.03819	5.3
94.51102	0.7
98.19888	1.2
99.00896	18.1
99.04530	14.0
101.02454	2.0
109.02981	2.3
111.00911	7.0
111.04536	35.6
111.05311	1.8
112.04871	2.3
112.98820	15.4
113.02419	0.7
113.99135	0.9
124.98820	4.5
129.01982	5.8
129.05643	0.8
137.02464	25.1
138.02797	2.1
142.99875	14.7
143.03514	5.3
144.00163	0.9
155.03539	11.0
155.12958	0.8
156.03857	0.8
173.00946	1.4
173.04581	19.7
174.04997	1.2
180.17923	0.7
191.90617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03452	5.4
58.03773	0.3
59.01373	0.7
67.01905	2.0
69.03464	0.7
70.09509	1.7
71.01391	2.1
73.02954	4.4
81.03459	1.3
83.05038	13.7
84.05356	0.5
85.02958	0.9
93.03468	15.6
94.03799	0.5
99.00906	1.7
99.04541	0.9
109.06601	3.5
111.00893	0.6
111.04554	4.2
111.08175	100.0
112.08508	6.0
126.63570	0.3
129.01903	0.6
129.09245	5.4
137.02484	2.2
143.03523	0.5
155.03494	1.2
155.07190	0.7
173.04686	3.4
173.08206	45.9
174.08606	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	173.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	2.8
55.01876	10.2
57.03440	4.1
58.00596	1.4
59.01387	8.4
61.01449	1.3
63.92355	1.1
64.55487	1.1
65.03940	1.8
67.01894	2.3
68.99821	3.0
69.03448	1.9
70.34916	1.1
70.37630	4.7
71.01387	100.0
72.01714	3.0
72.99309	5.1
73.02956	33.2
74.39456	1.2
80.99829	1.3
81.03461	3.8
83.01392	7.3
83.05043	12.0
85.02961	7.6
87.00871	3.9
93.03470	59.9
94.03820	2.7
96.35699	1.2
96.99303	3.0
99.00897	46.6
99.04535	7.1
100.01238	1.5
101.02454	1.4
111.00891	5.7
111.04533	20.1
112.98827	52.9
115.00375	5.6
124.98828	31.2
125.99125	1.4
126.10873	1.1
127.00333	1.3
129.01939	3.6
131.08264	2.6
131.33559	1.1
132.06680	1.2
135.10173	1.2
137.02475	14.1
138.02837	1.3
140.98250	1.3
142.99884	90.7
143.03535	2.2
144.00226	3.4
155.03494	4.6
173.00934	16.1
173.04556	6.2
174.07742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0094
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
52.71649	1.1
53.00313	2.3
55.01875	8.6
57.03449	4.3
58.00593	2.4
59.01374	8.9
59.48826	0.9
65.03970	2.0
67.01884	4.1
68.99831	2.3
69.03458	2.1
70.01207	2.4
70.01633	4.4
71.01388	100.0
72.01727	2.3
72.99319	5.3
73.02953	47.3
80.99824	2.0
81.03461	5.6
83.01396	10.2
83.05046	17.2
85.02956	11.9
87.00887	5.2
93.03470	85.9
94.03805	5.1
96.99313	3.7
99.00896	50.9
99.04520	10.3
101.02414	2.7
109.02958	1.8
111.00903	11.1
111.04525	27.3
112.04853	1.8
112.98827	55.3
113.99192	1.9
115.00381	4.3
115.38808	1.2
124.98825	28.0
129.01973	6.9
132.06689	2.7
137.02457	24.7
138.02766	2.2
140.98349	2.7
142.99884	88.1
143.03543	3.2
144.00217	4.8
155.03534	11.0
173.00928	15.8
173.04547	16.1
174.04855	2.2
174.07744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.01869	0.7
57.03446	1.1
58.00598	0.3
58.02969	1.2
59.01381	1.6
60.99295	0.6
65.03967	0.4
67.01893	4.7
69.03455	1.4
69.41861	2.7
71.01391	3.8
71.05022	0.4
72.99300	0.4
73.02950	8.8
81.03474	1.6
82.06622	0.5
83.01408	0.4
83.05036	4.3
85.02958	2.5
85.06613	0.3
92.17654	0.2
93.03467	37.4
93.12196	0.2
99.00890	2.8
99.04516	2.5
101.02470	0.4
109.02965	1.0
111.00906	1.4
111.04527	9.0
111.08145	2.2
112.98820	0.7
124.98803	0.3
128.08005	0.3
128.10815	2.4
129.01947	1.0
129.05522	0.3
130.08755	100.0
131.09106	5.6
137.02458	5.2
142.99925	0.3
143.03528	1.0
144.04597	0.6
155.03539	2.4
172.09796	15.1
173.04570	16.0
173.05888	0.6
173.08138	1.2
173.10240	1.2
173.11710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0665
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
56.28670	0.2
58.83666	0.2
59.01382	4.3
59.90446	0.3
62.93469	0.3
69.61565	0.9
69.61994	1.2
71.01392	0.7
84.58214	0.3
100.07734	0.4
107.05050	0.5
109.02957	0.5
109.06608	8.7
109.07350	0.5
110.06936	0.7
127.07670	100.0
128.07095	0.6
128.08008	7.3
130.08743	1.8
138.21501	0.3
171.02042	0.8
171.06636	2.5
171.10280	2.9
171.13969	0.9
172.04028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1392
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
53.23394	0.3
59.01388	0.4
64.82082	0.3
69.57275	1.1
69.57700	1.5
83.01383	0.3
83.05057	0.4
88.93634	0.3
99.00902	0.4
99.92595	0.8
100.07672	0.5
109.02945	0.3
115.11826	0.4
127.07671	2.0
130.08717	0.4
152.98340	0.3
153.12807	0.3
171.02022	1.5
171.10301	2.7
171.13921	100.0
172.03973	0.3
172.06213	0.6
172.14264	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	171.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51545	0.2
55.01527	0.2
57.03410	0.3
58.02959	1.0
59.01379	4.1
64.92023	0.3
70.03934	0.3
71.01383	1.1
83.05013	0.3
97.06617	0.3
99.04500	0.4
100.07710	0.4
101.02441	0.3
101.82056	0.3
107.05022	0.7
109.02963	1.4
109.06599	8.2
110.06934	0.8
112.31817	0.3
116.05050	0.3
127.07669	100.0
128.07077	0.5
128.08006	7.2
128.10817	2.6
130.08755	52.1
144.04535	0.5
171.01978	1.9
171.06650	3.8
171.10287	5.7
171.11650	0.5
171.13937	1.4
172.04115	0.4
172.06082	0.4
172.09784	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	169.1236
Annotation	8-Methyl-6-nonenoic acid
Peak:m/z	Relative Intensity
55.01882	1.7
57.03449	29.8
66.36723	1.4
69.03458	3.3
71.01387	4.5
71.05025	94.7
71.71622	1.5
72.05358	2.9
75.07224	1.7
81.03471	3.0
83.01382	1.7
83.05027	2.5
85.02946	3.6
89.08903	1.5
95.05034	11.7
97.02971	3.7
97.06580	7.1
98.02492	2.4
99.08154	3.1
101.34677	1.5
108.05833	4.6
109.03001	2.2
109.06593	5.4
109.85105	1.6
113.06104	7.8
113.09715	5.0
123.04601	2.3
123.08183	72.3
124.08521	4.7
125.02460	18.6
125.06123	3.9
125.09736	31.0
125.97176	1.4
126.10040	2.9
128.07182	6.1
135.08177	1.6
140.03546	3.8
149.09680	1.5
151.00339	4.4
151.11314	28.6
152.08434	14.3
152.11711	2.1
153.09259	7.5
153.99120	3.2
167.10805	66.0
168.11145	6.1
169.01436	13.6
169.05103	3.5
169.06320	2.6
169.08699	3.1
169.12363	100.0
170.04671	3.9
170.08136	2.3
170.12730	6.6
188.38524	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
58.02978	100.0
59.01387	0.2
59.02689	0.4
59.03318	2.0
66.03512	0.3
68.99824	0.7
69.03468	0.6
70.00634	1.2
70.02981	0.4
77.58299	0.2
81.03489	0.4
82.02985	0.6
82.28339	0.2
85.02973	0.5
97.02973	0.8
97.06598	0.4
107.01425	0.2
108.04568	0.4
113.02476	0.3
122.89457	0.4
124.04028	0.4
124.04911	0.4
125.02470	7.1
125.09737	0.8
143.51283	0.2
151.00388	0.6
151.11298	0.5
153.01572	0.5
168.06645	0.3
168.13942	9.7
168.83659	0.3
169.01440	3.6
169.05095	0.5
169.08678	0.4
169.12340	0.7
169.14285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
53.20598	0.2
55.70182	0.3
57.03437	1.2
59.01372	2.2
65.00323	1.5
67.01896	0.6
69.03465	0.8
69.81977	0.3
69.88757	1.8
80.02682	0.5
81.03466	18.6
82.02983	0.3
82.03812	0.8
83.01398	7.2
93.03487	0.5
95.01414	0.5
95.05037	4.0
97.02936	0.5
99.04531	0.9
107.01414	1.9
108.02199	3.0
111.08164	0.4
116.01010	0.3
121.02937	0.4
123.04543	100.0
124.01669	0.5
124.03986	0.4
124.04873	7.4
125.01616	0.6
125.02472	7.1
125.17950	0.3
139.07637	0.4
149.02473	0.6
151.00398	3.9
152.01176	5.8
153.01526	0.3
157.71747	0.3
167.03519	91.9
168.03891	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	167.0352
Annotation	Tetraacetic acid lactone
Peak:m/z	Relative Intensity
54.90056	0.9
55.01875	6.8
61.47514	0.9
61.50761	0.8
65.99860	1.0
66.03497	1.2
67.01884	1.5
68.99810	2.5
69.03457	5.4
71.01366	0.9
71.05026	14.0
71.71710	1.7
75.23952	1.0
75.63912	0.8
79.01919	1.6
80.02692	2.5
80.96504	0.9
81.03465	89.0
82.02973	1.0
82.03799	4.2
83.01402	15.3
84.02174	3.4
91.01901	1.0
92.96548	1.0
93.03463	2.5
95.01400	4.1
95.05035	34.8
96.05382	1.3
97.02961	53.7
98.03319	2.4
99.04532	82.9
100.04873	3.3
105.03490	4.2
108.02180	13.2
110.69224	0.9
121.02937	1.8
123.00928	4.1
123.04543	29.9
123.08150	1.4
124.01659	2.3
124.04043	1.3
124.04851	2.6
125.02460	21.5
137.02472	7.1
138.03242	23.9
139.04028	38.7
140.04375	2.4
149.02495	1.9
152.01170	29.7
153.01570	1.4
167.03511	100.0
167.07141	2.4
168.02956	6.2
168.03929	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	167.0352
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.09761	0.5
61.24298	0.4
63.02399	1.3
65.00330	7.6
67.01891	0.8
68.99807	0.6
71.44016	1.0
75.42429	0.4
78.16080	0.4
78.70270	0.5
80.02701	0.8
81.03464	0.7
83.01407	1.3
91.01904	48.2
92.02256	2.6
94.45016	0.4
95.01395	1.9
99.23245	0.4
108.02190	41.0
109.02533	1.9
111.00899	4.6
120.94923	0.4
123.00941	2.7
123.04541	100.0
124.01680	3.7
124.04852	7.2
132.93132	0.5
139.00372	1.0
152.01175	59.3
153.01494	4.0
167.03511	47.0
168.03905	3.9
168.70978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9988
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02385	0.8
63.91519	0.5
65.00337	2.5
66.03474	0.7
67.01894	4.1
68.99826	2.8
69.03473	1.1
70.27422	0.5
71.23127	1.0
79.01875	0.7
79.05545	1.4
80.02682	1.1
81.03461	1.9
82.03000	0.8
83.01380	1.1
83.05019	0.7
91.01906	12.2
92.02241	0.6
93.03481	0.8
94.98112	0.9
95.01402	100.0
95.05016	2.5
96.01747	4.5
96.04560	0.7
97.02964	2.0
100.01033	0.5
108.02193	44.2
108.04591	1.0
109.02454	3.0
111.00904	1.9
111.04536	0.6
116.88708	0.5
121.02962	1.2
123.00905	68.3
123.04541	43.8
123.08177	1.7
124.01683	4.7
124.04055	1.3
124.04883	3.6
124.07701	1.0
125.02524	2.7
133.36452	0.5
137.02441	0.7
139.00446	0.9
139.04042	2.1
139.07631	0.8
141.66304	0.5
149.02481	0.7
149.99640	3.5
150.05528	0.7
152.01176	81.0
153.01541	4.6
166.98462	0.8
166.99876	15.4
167.03516	35.6
167.07188	1.9
168.00677	2.4
168.03838	2.2
168.06682	1.1
183.02933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
66.03480	1.2
69.39146	2.3
71.33185	0.2
80.05068	0.5
81.03466	0.8
82.02996	0.2
83.01401	0.4
83.05033	0.2
91.01927	0.5
93.03426	0.3
94.02993	0.3
95.01401	1.9
95.05054	0.7
97.02936	0.6
108.02190	5.8
108.04586	0.3
109.02980	0.4
111.00883	0.5
121.02975	0.7
121.06580	0.3
122.02528	0.5
122.03320	2.0
122.06137	0.9
123.00937	1.5
123.03557	0.3
123.04543	6.2
123.05525	0.3
123.08186	1.0
124.01646	0.4
124.04080	0.4
125.02447	0.7
135.04524	0.6
136.05319	24.9
137.02454	0.2
137.05637	1.9
138.01918	0.2
138.05637	0.8
139.00401	0.2
139.03993	0.5
141.85612	0.2
148.04909	0.5
149.02522	0.3
151.00409	0.5
151.02708	0.3
152.01180	13.5
166.05115	100.0
166.99809	0.5
167.03516	7.7
167.05455	8.6
167.07126	1.5
167.10788	0.5
186.61693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60595	0.2
65.25743	0.2
66.03493	1.4
67.01867	0.3
79.01869	0.3
80.05060	0.8
81.03467	0.6
91.01910	0.7
93.03458	0.7
93.99351	0.4
94.02991	0.3
94.03789	0.2
95.01385	2.7
95.05043	0.9
97.02995	0.4
103.14691	0.2
108.02185	5.1
108.04541	0.4
109.02975	0.3
111.00874	0.4
121.02967	9.5
122.02490	0.4
122.03290	2.9
122.06113	1.0
123.00909	1.4
123.04540	6.3
123.05519	0.5
123.08172	0.7
124.01676	0.3
124.04073	0.3
125.02435	0.9
136.05313	9.1
136.06352	0.4
137.02480	0.2
137.05699	0.5
138.02802	0.3
138.05614	0.4
139.04024	0.6
148.04903	0.8
149.02446	0.3
151.00362	0.8
151.02762	19.7
152.01172	12.4
152.02974	1.3
166.05109	100.0
166.99905	0.5
167.02299	0.2
167.03514	7.4
167.05437	7.8
167.07010	0.5
167.10725	0.3
183.01738	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	164.0719
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
52.35712	0.5
59.01335	0.6
64.38407	0.5
69.53056	0.5
72.00912	37.2
73.01237	0.6
87.00921	1.0
88.97575	0.5
91.05527	1.5
93.03471	0.9
98.20635	1.1
103.05543	0.7
104.03352	0.5
105.01873	0.6
115.76759	0.5
119.05005	1.7
120.04552	0.8
120.05377	2.1
121.02980	5.5
147.04541	100.0
148.04866	9.0
150.03191	1.7
164.07188	54.9
165.02058	1.0
165.05518	0.9
165.07530	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	165.0918
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
57.62806	2.0
59.01374	3.3
66.03487	3.6
71.72129	2.9
72.00978	1.8
72.99316	6.6
75.00884	3.2
77.03972	7.2
80.05064	2.4
81.03450	4.6
89.79180	1.7
92.99855	4.1
93.03471	7.8
95.05051	3.4
108.02177	2.9
109.02964	4.3
119.05061	6.7
121.02975	100.0
121.06595	5.5
121.10262	7.9
122.03328	4.9
122.06152	3.2
123.08185	11.7
135.04591	3.0
136.05324	2.3
137.02486	13.0
147.04538	22.8
148.04839	5.7
149.00981	3.3
150.03232	12.7
151.90607	2.2
164.89587	3.8
165.01965	24.9
165.04156	5.1
165.05585	14.5
165.07796	4.3
165.09222	90.5
166.05119	6.6
166.09547	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	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
58.19978	0.4
59.01374	0.5
63.70321	0.4
69.78943	2.6
70.65147	0.4
77.87415	0.4
93.03469	2.5
103.19837	0.3
105.68912	0.3
119.05043	100.0
120.05376	7.9
131.01949	0.3
135.04539	0.4
163.04030	15.9
164.04358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.72792	0.1
59.01365	0.5
65.93693	0.1
66.03467	0.2
69.60856	0.7
69.61288	0.6
71.01392	0.2
77.60412	0.1
85.02962	0.4
91.05566	0.2
92.05055	0.4
93.03461	0.9
95.54502	0.1
98.20625	0.3
101.02457	0.5
117.03530	0.2
119.05045	100.0
120.04575	0.8
120.05375	6.9
162.89362	0.4
163.00377	0.4
163.04025	9.0
163.06203	0.3
164.04422	0.7
175.16266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0767
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
51.50961	0.2
52.69861	0.2
59.01383	1.9
62.92538	0.2
64.35451	0.2
66.03492	0.2
68.99808	0.3
69.51246	0.9
69.51675	0.8
71.01399	1.0
72.99257	0.2
73.02960	0.2
73.85182	0.2
78.01754	0.2
85.02961	0.9
86.30926	0.2
87.48617	0.2
89.02464	0.3
91.01918	0.5
91.05543	0.4
92.05099	0.3
93.03481	0.4
95.01403	0.2
97.02924	0.2
101.02467	0.7
102.12888	0.2
104.80556	0.2
116.19482	0.2
119.05047	27.1
120.04599	0.3
120.05367	2.3
121.02965	2.0
121.18639	0.2
121.58993	0.2
122.03781	0.5
135.00900	0.6
135.04506	0.4
139.27412	0.2
143.03575	0.2
147.04538	2.8
148.05327	100.0
149.05655	8.6
159.39841	0.2
162.89333	1.0
163.00383	2.0
163.03999	3.1
163.05011	0.4
163.06204	1.0
163.07671	4.9
164.00792	0.3
164.08060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18200	0.4
57.03449	100.0
58.03784	2.9
59.01383	25.7
60.01728	0.8
65.92113	0.6
66.21367	0.5
69.53060	0.5
69.95272	1.8
69.95684	1.6
71.31127	0.5
83.10294	0.5
90.07645	0.5
90.26630	0.5
99.04532	93.3
100.04861	4.7
101.02459	32.1
102.02782	1.4
106.54739	0.5
117.05657	0.9
161.04578	25.8
162.04967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01375	1.1
70.22783	0.7
70.23203	0.5
71.01383	0.3
92.05063	0.3
93.03474	1.2
115.82674	0.2
117.03537	0.3
119.05046	100.0
120.04525	0.4
120.05383	6.6
135.04564	0.3
154.52556	0.2
162.89342	0.4
163.00385	0.5
163.04031	10.3
163.06100	0.5
164.04350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30352	0.4
55.37259	0.4
57.03449	100.0
58.03782	2.4
59.01380	28.0
60.01729	0.7
70.88261	0.8
70.88646	0.7
71.01384	2.1
73.02950	0.9
73.70155	0.4
81.03481	0.6
83.01395	0.6
85.02947	2.7
89.02431	0.5
99.04532	96.5
100.04868	4.6
101.02458	35.8
102.02807	1.8
113.02463	0.5
117.04771	0.4
117.05611	1.2
125.63245	0.4
131.03526	1.5
133.02977	0.6
140.31493	0.4
143.03540	0.9
161.04573	22.3
162.04918	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	161.0458
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
57.03450	100.0
58.03799	2.8
59.01381	23.4
60.01704	0.6
70.56413	1.3
71.01388	1.2
73.02965	0.4
81.03455	0.3
85.02975	0.8
85.47538	0.3
99.04534	86.2
100.04861	4.2
101.02458	30.2
102.02808	1.3
112.84840	0.3
114.54170	0.3
117.05603	0.9
131.03537	0.6
143.03534	0.5
144.92986	0.3
146.97906	0.4
161.04575	19.1
162.04915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
55.01879	0.9
57.03445	4.0
58.00616	0.3
59.01380	9.2
60.01720	0.5
69.03465	0.5
69.93486	1.1
69.93896	0.6
71.01389	11.3
71.04999	0.4
72.99312	1.0
73.02951	8.6
75.00901	0.8
77.03977	1.0
81.03468	1.9
83.01395	3.2
84.02171	0.4
85.02960	14.9
86.03294	0.7
87.00880	1.5
89.02459	2.7
89.03971	0.7
95.01434	0.6
97.02969	1.3
99.00919	0.4
99.04523	2.2
101.02453	3.7
104.02740	0.3
105.03489	2.3
108.76857	0.3
112.58513	0.3
113.02467	3.8
115.01915	1.2
115.04066	0.3
117.03514	0.4
123.04512	0.3
131.03519	5.9
132.02196	9.5
132.03809	0.6
133.02977	100.0
134.03311	6.9
143.03558	0.4
143.30435	0.3
160.01643	0.4
160.89290	0.7
161.02467	79.4
161.04411	6.2
162.02872	6.9
162.04819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1236
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
57.03442	0.6
58.08173	0.3
59.01379	9.1
62.59289	0.4
67.01888	0.4
68.99817	1.1
69.03451	0.6
71.01385	1.3
71.70838	0.7
75.00880	0.6
76.41570	0.4
83.05048	1.1
84.99321	23.1
85.02945	1.5
85.55811	0.3
85.56334	0.3
85.99626	0.6
87.00896	1.2
95.01379	0.4
95.05047	1.1
99.00894	2.9
100.52736	0.3
102.36726	0.3
111.00886	0.8
111.08196	0.4
112.07671	0.4
112.92253	2.2
112.98751	0.5
113.06106	1.9
113.09764	0.5
114.05627	1.0
114.09225	0.4
114.93388	0.5
115.00406	2.7
125.06119	1.7
127.00396	7.4
127.07700	0.4
128.00728	0.4
128.98309	5.3
139.07680	0.7
140.07176	0.5
140.29927	0.3
149.29372	0.3
156.06673	1.3
156.86620	1.1
156.89491	3.4
156.97884	1.8
157.01456	1.1
157.05107	1.4
157.08806	5.4
157.12357	100.0
157.86296	1.3
158.03604	0.4
158.06097	1.1
158.08229	12.0
158.12697	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	157.0873
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
53.20079	0.5
57.03461	1.0
59.01385	17.3
67.05547	1.7
68.99795	0.6
69.03461	1.2
70.10499	1.6
70.10893	1.2
71.01392	13.0
73.02945	1.0
83.05032	1.8
83.68947	0.6
84.99334	2.1
85.02975	1.6
87.00911	1.3
93.07107	1.0
95.05018	1.2
97.06612	0.7
98.20564	0.7
99.00897	3.4
107.04983	0.5
109.06621	6.7
111.08167	3.8
113.06127	2.4
113.09769	0.8
114.05608	0.6
114.93452	0.9
115.00376	2.8
121.06615	1.5
127.00400	6.9
127.07678	43.5
128.08011	3.2
139.07681	28.0
140.08017	2.3
155.07126	1.2
156.89482	1.0
157.01472	1.6
157.08727	100.0
157.12282	5.2
158.08130	3.4
158.09302	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	157.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03450	1.9
57.97560	0.9
59.01376	26.8
60.01699	1.0
67.01893	1.0
68.99813	1.9
69.03454	3.1
69.41925	2.0
69.42319	9.6
71.01386	3.9
72.99326	0.9
75.00882	1.9
81.20769	0.8
83.05029	1.6
84.99319	100.0
85.02966	4.7
85.06586	3.4
85.99653	3.6
86.02502	1.0
87.00893	3.4
95.05014	2.1
99.00888	8.2
101.06100	3.0
102.56313	0.9
111.08188	1.1
112.07631	1.0
112.92286	5.3
112.95497	0.9
112.98833	2.2
113.06086	5.6
113.09729	2.2
114.05643	2.2
114.06409	1.0
114.09259	1.2
114.93437	1.7
115.00389	8.6
116.07132	1.4
125.06098	20.8
126.06384	1.2
127.00388	18.2
128.98318	19.2
129.84261	0.9
139.00380	1.4
139.07642	0.8
140.07169	2.2
156.06668	3.1
156.86603	2.9
156.89517	10.2
156.97835	7.3
157.01389	3.0
157.02484	1.4
157.05075	3.5
157.08728	12.0
157.12341	20.1
157.86307	3.7
158.08220	38.3
158.12718	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	155.0717
Annotation	5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one
Peak:m/z	Relative Intensity
54.84616	0.5
55.01886	3.7
57.03451	3.0
58.02401	0.5
59.01386	7.1
67.01897	2.2
67.95101	0.5
68.99819	0.5
69.03436	0.6
71.01393	1.3
71.72204	0.8
76.24918	0.5
81.03484	1.2
83.01384	6.9
83.05038	3.0
84.00954	1.2
84.01736	0.6
84.04572	1.6
85.02964	100.0
85.06602	24.5
86.03285	3.0
86.06940	1.4
87.04507	0.6
89.25912	0.5
93.03480	10.5
96.00931	0.6
99.92605	1.3
109.02975	1.4
111.00903	2.7
111.04530	4.3
111.08189	1.6
112.00503	0.7
112.04013	0.8
113.02464	0.7
113.06110	20.4
114.05643	7.2
114.06460	1.2
127.00426	2.5
127.04024	0.5
127.07690	0.6
128.03639	0.7
128.07243	0.6
135.96104	0.6
137.02473	2.1
140.01166	3.2
154.86934	0.9
154.99895	4.2
155.02647	1.6
155.03564	1.7
155.07169	19.8
155.10800	1.2
155.86572	5.8
155.87573	0.5
156.03049	0.8
156.06650	6.7
173.86052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0353
Annotation	3-Methyl-cis,cis-hexadienedioate
Peak:m/z	Relative Intensity
55.01882	4.0
56.13460	0.3
57.03435	0.4
59.01377	0.6
65.03966	3.1
67.01891	2.7
68.99818	0.3
69.03448	0.7
71.01382	1.1
71.70878	0.5
75.02403	1.4
78.95914	0.8
81.03464	5.2
83.01405	4.3
83.05034	16.0
84.05355	0.8
85.02959	0.8
91.67861	0.3
93.03470	100.0
94.03797	5.4
95.01408	0.4
96.96024	1.0
109.02965	1.3
111.00908	6.0
111.02041	1.3
111.04537	12.9
111.05310	0.6
112.04098	0.2
112.04869	0.8
114.05629	1.0
127.00378	0.6
127.04044	0.6
137.02470	9.4
138.02834	0.9
143.73363	0.3
147.94888	0.3
154.99928	2.7
155.03551	4.0
155.07114	0.3
156.06717	0.7
160.45409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1288
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
50.49473	2.0
57.03451	100.0
60.23269	2.0
63.47468	1.9
66.03482	4.8
69.03101	3.0
69.03462	44.4
70.03799	1.8
71.05026	25.3
71.48728	2.9
71.49059	2.0
71.83061	1.8
85.06578	2.7
88.45846	1.8
108.02190	2.2
109.02975	71.2
110.03312	3.4
121.27025	2.1
124.04075	3.7
125.09732	4.9
137.09732	11.0
137.99597	2.3
147.94327	1.8
153.01955	22.5
153.12872	42.7
153.86919	11.1
153.88020	1.9
154.05098	2.5
154.13179	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	155.0351
Annotation	3-Methyl-cis,cis-hexadienedioate
Peak:m/z	Relative Intensity
50.63032	0.3
55.01880	6.5
55.99921	0.3
57.03443	1.0
59.01376	1.8
65.03969	3.3
65.04269	0.5
67.01901	3.4
68.99815	0.4
69.03464	0.8
70.02991	0.4
71.01385	2.0
71.70812	0.5
75.02412	1.4
78.95911	0.6
79.00245	0.3
81.03465	5.4
82.03806	0.5
83.01397	6.8
83.05035	16.8
84.05383	0.8
85.02964	0.7
93.03471	100.0
94.03812	6.7
94.86384	0.3
95.05019	0.3
96.96030	1.7
109.02980	2.0
111.00897	9.4
111.02030	3.2
111.03388	0.7
111.04536	17.4
112.01197	0.6
112.04081	0.6
112.04865	1.1
112.07671	0.4
113.06073	0.4
114.05614	2.8
127.00375	1.4
127.04074	0.7
128.07149	0.4
137.02467	11.9
138.02818	0.6
140.01189	0.6
154.99945	5.9
155.03531	5.0
155.10809	0.4
156.06671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0196
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
55.51271	0.1
60.99295	0.2
61.49961	0.2
65.00334	0.3
65.03960	0.5
66.03496	1.0
67.01890	0.2
67.03815	0.4
68.99836	0.3
69.03467	0.2
69.99253	1.1
71.88282	0.2
81.03460	1.9
82.02990	0.4
83.01412	0.4
85.14182	0.1
91.01909	0.9
92.05074	0.6
95.01369	0.2
97.53831	0.2
108.02193	5.5
109.02970	100.0
110.00130	0.8
110.02538	0.4
110.03305	6.1
123.04487	0.2
124.04066	0.8
125.02451	0.9
128.09698	0.2
135.04631	0.5
136.04065	0.3
137.99597	0.7
138.02211	0.4
151.00426	0.6
153.01962	20.7
154.02382	1.1
154.05135	0.7
157.15974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
61.84732	0.1
65.00364	0.2
66.03489	3.9
71.21129	0.3
80.28973	0.1
81.03470	0.7
83.01378	0.2
108.02191	1.0
108.04587	0.4
109.02972	17.1
109.06582	0.2
110.00118	0.5
121.02982	0.7
122.03760	32.7
123.04072	2.3
124.04844	0.2
125.02460	0.5
135.04466	0.4
137.02032	0.3
137.99583	0.7
138.60849	0.2
151.00378	0.4
152.03554	100.0
153.00688	0.2
153.01941	4.8
153.03891	7.4
153.12886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.67964	0.2
51.55258	0.2
60.01694	0.3
63.35344	0.2
65.00320	0.5
66.03490	13.6
67.03810	0.6
68.99817	0.3
70.87273	0.5
78.03481	1.1
81.03465	0.9
82.81564	0.2
83.01401	0.3
84.61217	0.2
94.59991	0.2
95.01371	0.4
102.02802	0.2
104.01459	0.3
107.01476	0.3
107.03786	3.6
108.02187	1.0
108.04577	0.7
109.02969	18.8
109.06604	0.5
110.00111	1.2
121.02988	0.7
122.02390	0.8
122.03757	25.4
123.04041	1.3
124.04062	0.2
124.04883	0.3
125.02466	0.8
135.03342	0.3
135.04535	0.9
137.01929	0.5
137.99629	1.3
151.00391	0.6
152.03551	100.0
153.01984	7.2
153.03891	7.1
153.05519	0.4
156.14815	0.2
172.21529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59110	1.8
56.37329	1.6
59.01382	12.9
65.00349	2.6
66.03487	73.3
67.01897	3.4
69.05785	1.9
71.01380	21.0
71.71773	2.4
73.02959	4.7
80.02691	7.3
81.03458	4.2
83.01369	3.1
89.02467	8.4
93.03448	4.0
95.01402	5.8
95.05057	2.6
101.02455	11.4
107.01441	4.1
107.05038	22.8
107.08675	3.5
108.01443	3.9
108.02186	78.7
108.04575	12.7
109.02977	4.8
109.04096	2.9
109.06589	3.7
110.02518	3.1
111.00938	3.9
122.03784	5.1
123.00883	9.9
123.04536	29.4
124.01624	3.2
125.02482	3.6
136.01678	100.0
137.02028	5.6
149.02574	1.9
150.29308	1.8
151.00423	5.0
151.04036	59.1
151.05096	5.8
151.06172	8.7
151.07678	36.0
151.08771	1.9
152.01160	49.2
152.03392	11.4
152.04602	3.1
152.07219	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	151.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.9
59.96437	1.6
61.39651	1.8
63.02402	15.3
65.00327	100.0
66.00655	2.3
66.03488	60.3
71.01380	11.4
73.02937	4.3
77.97324	1.7
78.78057	1.5
81.03458	3.6
83.01399	44.1
84.01730	2.1
89.02444	7.1
93.03459	2.6
95.01382	2.4
98.19775	3.8
101.02461	7.4
107.01402	83.0
107.02133	4.0
107.05045	8.3
108.01631	2.5
108.02261	3.5
108.04566	5.7
109.02986	2.2
122.03787	7.9
123.03712	2.8
123.04546	36.4
123.51200	1.6
124.01699	6.5
124.04863	3.1
136.01683	48.1
136.02736	2.6
150.03224	2.6
151.00394	42.3
151.04048	43.9
151.05135	3.0
151.06114	4.7
151.07625	3.4
152.00745	4.7
152.03510	8.8
152.07172	5.7
159.33401	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	151.003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
59.01382	4.5
63.02399	1.4
65.00323	1.5
66.03492	15.2
67.01872	0.9
71.01395	6.1
71.45413	1.2
73.02941	1.9
77.66057	0.5
79.01901	100.0
80.02230	5.1
80.05048	0.7
81.03027	0.6
83.01403	1.5
85.02979	1.1
89.02447	3.3
93.03468	0.7
94.13402	0.5
95.01418	1.9
95.05032	1.2
101.02467	4.5
107.01386	1.3
107.05046	8.7
108.02205	3.5
108.04583	3.8
108.05268	0.8
109.02979	1.4
121.02955	0.7
122.03770	4.6
123.00898	1.7
123.04550	16.7
124.04883	1.4
136.01683	22.2
137.02060	1.7
151.00403	12.2
151.04044	28.7
151.05057	1.5
151.06172	3.1
151.07674	2.8
152.00880	1.2
152.03429	5.5
152.04584	1.4
152.07222	1.2
154.55063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0458
Annotation	alpha-D-Lyxose
Peak:m/z	Relative Intensity
53.09346	1.6
57.03465	1.8
59.01385	27.4
69.03469	4.0
71.01389	31.2
71.04081	4.8
72.99326	6.0
73.02956	22.4
75.00877	32.5
75.01283	2.2
85.02969	7.2
87.00894	12.6
87.60091	1.7
89.02457	100.0
90.02784	4.0
100.62879	1.4
101.02480	2.1
101.58803	1.6
103.04022	11.3
131.03522	16.2
147.77516	1.8
149.04581	72.3
150.04935	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	149.0458
Annotation	alpha-D-Lyxose
Peak:m/z	Relative Intensity
55.01875	1.9
56.43085	1.5
57.03445	2.5
58.46647	1.4
59.01383	28.8
69.03461	4.1
69.66115	13.0
71.01392	32.7
72.01749	1.7
72.02203	1.3
72.99314	6.4
73.02956	24.8
75.00880	33.5
83.01407	2.4
83.18105	1.4
85.02954	5.4
87.00881	11.5
89.02456	100.0
90.02806	2.6
95.98735	1.5
98.03849	1.6
101.02444	2.1
103.04031	6.7
106.54433	1.5
114.74860	1.6
121.53557	1.5
127.42028	1.5
128.26062	1.4
131.03523	22.6
132.03696	2.0
149.04572	70.2
150.04924	5.2
152.44453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
59.01382	4.5
63.02399	1.4
65.00323	1.5
66.03492	15.2
67.01872	0.9
71.01395	6.1
71.45413	1.2
73.02941	1.9
77.66057	0.5
79.01901	100.0
80.02230	5.1
80.05048	0.7
81.03027	0.6
83.01403	1.5
85.02979	1.1
89.02447	3.3
93.03468	0.7
94.13402	0.5
95.01418	1.9
95.05032	1.2
101.02467	4.5
107.01386	1.3
107.05046	8.7
108.02205	3.5
108.04583	3.8
108.05268	0.8
109.02979	1.4
121.02955	0.7
122.03770	4.6
123.00898	1.7
123.04550	16.7
124.04883	1.4
136.01683	22.2
137.02060	1.7
151.00403	12.2
151.04044	28.7
151.05057	1.5
151.06172	3.1
151.07674	2.8
152.00880	1.2
152.03429	5.5
152.04584	1.4
152.07222	1.2
154.55063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
63.66722	0.5
69.84244	1.2
69.84651	2.3
71.01372	0.7
74.02485	0.8
82.02959	1.1
84.04564	1.2
85.02964	1.1
101.02481	0.8
102.05622	100.0
103.05955	4.0
128.03558	39.7
129.03877	2.2
144.35434	0.5
146.04616	21.5
146.86732	4.1
147.04948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12289	0.6
57.03450	8.3
59.01380	11.2
62.47838	0.7
70.22934	0.7
70.68184	0.6
71.00057	1.5
71.01389	9.9
71.05027	2.8
72.99319	3.0
73.02960	1.0
74.02490	3.6
75.00875	3.2
76.05904	0.8
84.04546	2.3
85.02962	20.9
87.00891	24.5
99.00909	3.5
101.02453	3.3
102.05623	100.0
103.04025	2.7
103.05941	3.9
114.02000	0.7
128.03560	42.0
129.01974	8.8
129.03891	4.0
146.02641	0.9
146.04605	23.0
147.03036	11.8
147.04939	1.9
147.06679	3.9
151.86481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32386	1.4
59.01378	5.9
59.22209	1.5
71.01392	6.8
73.02958	3.9
73.79871	1.6
78.93242	1.6
87.00901	1.6
89.02449	16.1
91.05531	2.2
93.03472	4.0
95.05047	2.4
98.19820	2.6
105.03458	2.6
119.05044	3.7
121.02968	32.5
131.03545	2.7
134.03792	3.0
147.04543	22.8
148.05330	100.0
149.02486	14.1
149.04567	9.1
149.05737	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	144.0458
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.99841	0.3
68.43498	0.2
69.41948	2.7
69.42264	0.4
71.14499	0.2
77.11584	0.3
83.05032	0.5
101.06102	1.8
102.03517	0.7
109.76051	0.2
116.05051	0.3
144.04573	100.0
145.04927	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	145.051
Annotation	Adipic acid
Peak:m/z	Relative Intensity
57.01601	1.1
59.01364	1.5
67.15916	1.0
71.01391	1.6
71.26550	3.0
81.03471	13.4
83.05036	85.5
84.05388	4.9
85.02949	1.5
87.00894	2.1
99.04490	1.4
101.06096	100.0
102.03522	1.2
102.05737	6.8
102.06316	6.9
118.03001	4.6
127.04050	4.7
127.05106	1.3
128.03549	2.9
136.52603	1.1
145.03075	2.5
145.05014	52.9
145.06982	2.3
146.02509	16.0
146.05405	1.8
160.42563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0622
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
58.02966	3.2
60.27405	0.9
67.02996	1.0
70.02995	0.9
70.39494	4.6
72.00916	2.2
74.02474	7.7
82.02988	3.2
84.04555	12.6
86.02480	2.0
96.04740	0.9
97.04071	1.5
98.02525	1.2
99.05637	1.6
101.07236	6.1
102.05620	100.0
107.02564	1.1
109.04093	12.8
111.00566	0.8
113.40240	0.9
125.03596	4.1
127.05157	27.5
128.03557	54.5
128.05505	1.8
144.86964	3.3
145.06215	21.2
146.04607	21.6
146.06471	1.6
152.01503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9989
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00309	16.6
59.01376	5.1
68.99829	5.4
70.41646	8.1
71.01385	34.8
72.23676	2.2
77.10298	1.9
79.41679	1.9
80.99821	5.1
86.72888	2.1
87.00888	7.4
96.99326	12.4
98.19920	2.2
99.04548	4.4
112.98837	26.1
115.00372	4.8
124.98813	43.6
140.12741	2.2
140.98338	7.6
142.99884	100.0
144.00232	8.4
144.04604	8.4
144.06789	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96947	1.8
53.00317	17.0
59.01374	4.9
68.99843	3.4
71.01385	34.9
71.10324	2.9
71.10663	3.8
72.01716	2.1
73.02949	2.0
78.46124	1.8
80.99836	5.7
83.01403	2.4
85.02955	2.8
87.00899	8.5
96.99339	13.7
112.98820	21.4
113.00710	2.3
115.00390	5.6
124.98825	45.8
134.84438	1.8
140.98315	10.8
142.99889	100.0
144.00235	5.7
147.02956	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	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.63496	0.4
71.29222	0.7
73.08789	0.4
94.03793	0.4
108.02193	47.8
109.02499	2.9
111.00916	0.9
117.65229	0.5
138.01991	100.0
139.00385	0.4
139.02345	6.9
139.80728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0404
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
55.01879	19.6
67.01885	20.8
68.68085	3.1
68.99810	6.5
69.03456	7.5
71.05021	35.1
71.71570	4.4
83.01392	10.9
93.03452	5.0
94.98065	2.6
95.01383	6.9
95.05047	36.4
96.04562	3.5
97.02966	73.9
98.03314	5.2
109.02554	5.5
111.00904	63.3
112.01231	4.6
123.00873	3.6
124.01664	17.4
139.00398	44.7
139.02333	6.9
139.04031	100.0
139.07610	4.4
140.01015	2.8
140.03505	6.2
140.04456	5.0
140.07182	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	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.21951	0.4
55.01862	0.4
66.03460	0.4
67.01892	1.3
71.70673	0.8
82.83787	0.5
83.01396	1.0
94.02970	0.9
94.03836	2.3
94.04308	0.4
95.01426	0.8
95.05051	0.6
108.02191	47.2
109.02496	3.0
111.00890	4.8
124.01637	0.8
130.18970	0.5
138.01990	100.0
138.05608	1.4
139.00452	3.0
139.02347	7.5
139.04041	1.0
142.76071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72589	0.4
65.03977	2.6
70.03805	1.7
70.04232	1.3
71.99309	0.5
74.99102	7.4
79.95741	3.0
93.03469	100.0
94.03001	1.1
94.03812	5.7
98.20627	0.5
101.73582	0.5
136.89192	1.8
136.99174	2.3
137.02477	18.7
138.01941	0.6
138.02858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
55.74590	0.4
65.03976	2.5
71.06076	1.0
74.99114	4.4
78.62058	0.4
93.03474	100.0
94.03007	0.4
94.03144	0.5
94.03802	6.1
94.70752	0.4
102.92363	0.3
108.02214	0.5
109.02985	0.5
123.03329	0.5
136.01735	0.4
136.89185	1.9
136.99152	0.4
137.02467	19.1
138.01910	0.7
138.02812	1.2
138.05702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
60.08387	0.6
66.97170	0.6
69.51193	5.8
71.01393	1.0
73.02959	0.9
80.48261	0.7
81.03495	0.8
85.02975	2.5
89.03983	0.7
91.05547	0.8
92.05078	1.4
106.04258	0.8
107.05064	4.6
108.02197	1.5
117.03481	1.4
134.03766	12.4
135.04546	100.0
136.01686	1.1
136.03975	1.3
136.04872	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	135.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64894	0.4
59.01382	1.6
63.02391	0.6
65.00330	3.5
67.01894	0.7
71.01389	2.7
72.99309	1.0
73.02956	1.5
75.00883	7.1
81.03475	0.6
83.13722	0.4
85.02961	4.5
87.00873	0.6
89.02456	1.1
89.03979	0.5
91.01903	64.2
91.05550	1.1
92.02244	4.1
92.05084	0.9
93.03459	1.3
98.20657	0.9
99.74397	0.6
99.92583	4.8
102.00585	0.4
106.04245	0.5
107.01408	1.2
107.05026	3.3
108.02159	0.7
108.04563	0.8
115.55149	0.4
117.03485	1.2
134.03755	11.0
134.86598	10.4
134.89494	91.0
135.00932	8.3
135.04541	100.0
135.89494	9.4
136.04010	0.8
136.04883	7.2
153.01996	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0146
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
51.45051	0.8
69.88238	2.7
69.88641	3.4
71.01389	55.2
72.01723	2.0
72.99315	14.5
86.00720	0.9
87.00902	2.1
89.02460	7.2
113.67562	0.9
115.00391	100.0
116.00755	4.9
128.93103	0.9
133.01456	29.3
134.01797	1.5
145.36467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
60.10125	0.6
69.06358	0.7
71.01391	1.5
71.46613	1.8
73.02947	2.9
85.02962	1.3
87.04517	0.7
88.04047	2.7
124.34595	0.8
126.04992	0.7
130.08760	100.0
131.03532	1.2
131.09120	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	129.056
Annotation	ethyl 4-oxobutanoate
Peak:m/z	Relative Intensity
55.01881	23.3
57.03447	19.6
59.01372	21.1
67.01895	11.9
70.72678	39.3
73.02958	12.6
81.66006	10.5
83.01414	17.7
85.02968	40.0
88.04047	12.0
101.02431	15.0
128.90192	32.9
129.01942	34.8
129.05592	100.0
129.07504	12.9
130.08772	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
54.58505	1.8
55.01867	7.5
57.03444	12.4
59.01387	13.0
62.94744	2.0
67.01884	7.3
68.99815	2.5
69.78771	1.9
70.47115	7.3
71.01376	5.8
73.02926	5.3
81.03477	2.7
83.05026	19.1
85.02972	15.3
85.06597	100.0
86.06129	3.6
86.06944	7.0
87.00879	2.3
88.04055	7.5
92.01823	1.7
101.02464	3.7
108.53372	2.0
111.00854	4.6
111.04530	30.2
128.90205	11.6
129.01956	14.6
129.05595	47.6
129.07526	5.6
130.04123	2.8
130.05104	2.4
130.08763	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0197
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01865	14.3
57.03450	61.7
58.24543	3.1
67.01897	100.0
68.02209	6.7
68.99807	4.5
70.62050	9.0
70.62444	6.6
71.01378	7.7
72.99280	3.8
73.02950	6.5
74.23418	3.3
83.01407	8.9
85.02956	41.6
87.00863	4.8
88.04051	29.3
99.00915	5.9
109.16274	3.9
111.00919	4.5
128.90219	5.0
129.01959	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0197
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01878	14.8
57.03449	53.6
59.19075	4.1
67.01894	100.0
68.99824	14.0
71.01382	9.3
71.71098	4.8
72.99300	5.6
73.02953	9.7
75.85048	3.9
83.01388	11.4
85.02963	68.6
87.00867	4.9
88.04049	90.0
101.02425	5.3
111.00949	4.9
114.65258	4.4
117.36140	3.8
119.88277	3.9
129.01953	39.6
129.03932	6.2
130.05101	10.9
130.08752	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0767
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
52.56548	3.0
55.01883	6.4
55.81835	2.9
59.01385	11.7
67.52509	3.0
67.94376	2.9
70.13597	14.3
71.01392	7.4
81.03474	4.5
83.05042	10.6
85.02972	14.8
92.74696	3.0
99.04533	4.5
101.16784	2.7
104.71329	3.1
107.51692	3.2
109.06632	4.2
126.90457	32.9
127.00388	22.2
127.04041	18.3
127.07669	92.9
128.03552	44.2
128.07199	100.0
128.08011	5.4
141.27960	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	127.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39532	2.3
54.04642	2.4
55.01876	3.9
55.05241	2.1
56.21752	2.0
59.01363	4.8
71.01381	5.5
71.32169	6.7
71.68996	2.1
73.43886	1.9
77.26752	2.4
81.03489	3.3
83.01386	5.7
83.05029	7.6
85.02946	8.7
99.00906	6.5
99.04517	2.0
109.02951	4.6
109.06546	2.8
115.03473	2.3
115.98833	2.1
125.90943	2.7
126.90469	29.4
127.00392	21.5
127.04063	17.6
127.07668	29.1
128.03558	38.2
128.07196	100.0
128.08128	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	120.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03462	0.8
70.22652	4.5
70.87714	0.8
93.03467	2.9
94.02997	13.9
94.07426	0.9
98.19964	1.6
104.87769	0.9
108.02218	1.4
120.99670	19.3
121.02972	100.0
122.02495	16.8
122.03325	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	124.0168
Annotation	2-Aminoethylphosphonate
Peak:m/z	Relative Intensity
55.01880	1.2
57.03447	2.4
58.90741	1.1
66.03474	1.3
69.03461	9.0
74.90086	1.0
81.03470	3.2
82.02987	2.3
83.01393	2.2
94.03014	4.2
95.01379	5.9
96.01754	3.9
97.02962	7.0
98.20617	2.6
109.02506	2.0
123.00005	2.0
123.00208	1.2
123.00906	48.1
124.01691	100.0
124.04056	10.7
124.04897	1.8
125.02515	38.2
125.06126	1.5
139.78865	1.2
139.86491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.57354	0.6
54.89992	0.7
55.51651	0.6
55.99476	0.6
59.01378	2.1
60.30936	0.6
70.09931	1.2
70.10348	1.9
71.01380	1.2
72.99323	0.5
83.16321	0.5
93.03471	2.2
101.92477	1.1
118.49846	0.5
118.92637	3.2
119.05048	100.0
120.05366	7.2
133.35526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.47328	0.6
59.01368	0.9
69.89822	4.6
69.90134	1.0
70.55370	0.7
71.01402	1.0
92.84296	0.6
93.03455	2.6
98.20549	1.0
118.92669	1.5
119.05046	100.0
120.05373	7.4
127.09544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01879	0.5
59.01387	0.4
69.99925	2.1
71.01386	0.3
73.02952	100.0
74.03287	2.9
90.44233	0.3
99.00896	9.1
99.92613	1.2
116.92879	5.2
117.01963	18.1
118.02308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00700	0.3
53.33709	0.3
55.01870	0.4
59.01369	1.3
70.84248	0.9
71.01382	0.5
73.02953	100.0
74.03294	2.8
81.75198	0.3
99.00892	8.5
99.92589	2.3
116.92896	5.9
117.01955	17.8
117.92890	0.5
118.02302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	1.1
81.16610	0.1
83.01395	3.3
83.01860	0.2
83.05049	0.2
84.08273	0.1
89.03981	1.0
91.01875	0.2
92.79282	0.1
93.03466	1.2
95.01402	0.6
95.05032	0.6
96.50477	0.1
97.02962	1.2
105.03458	0.6
107.05050	1.9
108.02206	0.7
109.02969	7.9
110.03323	0.2
111.00967	0.2
115.05555	0.2
117.03493	0.9
119.05031	0.5
120.02221	0.6
121.02968	2.5
121.06651	0.1
122.03782	0.7
123.00919	0.3
123.04546	5.5
124.01734	0.3
124.04847	0.2
125.02468	100.0
126.02821	2.1
129.07141	0.2
130.04230	0.5
131.05075	1.6
132.02205	0.7
133.02979	6.9
133.06628	0.2
134.03355	0.1
135.00900	0.5
135.04535	2.0
137.02467	11.0
138.03017	0.2
139.04025	1.3
139.38635	0.1
143.05048	0.5
145.02968	0.9
145.06606	0.3
146.03775	0.6
147.04575	1.3
148.01669	0.2
149.02458	3.3
149.03586	0.3
149.06120	0.8
150.03166	0.5
151.04027	9.3
152.04404	0.4
155.03633	0.1
155.05048	0.5
157.02980	0.3
157.06596	0.2
158.03783	0.6
159.04547	2.7
160.01695	0.5
160.05299	0.4
161.02467	33.7
161.06065	1.6
162.03127	2.5
163.00392	2.9
163.04028	3.4
164.01170	6.5
164.02562	0.3
165.01953	6.1
166.02504	0.2
167.03551	1.7
167.04968	0.3
169.06683	0.2
171.04543	0.5
172.05325	0.2
173.02440	0.8
173.06107	1.5
174.03246	1.4
175.04030	15.8
175.07642	0.5
176.01149	1.0
176.04388	0.8
177.01950	12.4
177.05464	1.2
178.02531	0.6
179.03505	1.8
180.05835	0.1
181.06552	0.2
182.03716	0.2
183.04538	1.0
184.05310	0.3
185.02437	0.5
185.06082	0.8
186.03279	0.3
187.04037	3.9
188.01266	0.2
188.04791	1.1
189.01973	2.1
189.05579	1.0
190.02715	0.7
191.03528	1.2
193.05028	0.9
195.04539	0.2
196.05252	0.3
197.06082	0.7
198.03204	0.4
199.04018	5.6
199.07683	0.5
200.04666	0.6
201.01950	1.5
201.05586	3.0
202.02695	0.3
202.06357	0.6
202.99878	0.4
203.03522	3.3
203.07161	3.2
204.00587	0.2
204.04070	0.2
204.07355	0.2
205.01465	1.4
205.05084	2.7
207.02983	0.3
209.06155	0.1
211.04057	1.7
212.04793	0.6
213.02036	0.2
213.05571	1.0
214.02757	1.0
215.03520	1.1
215.07181	0.5
216.00584	0.2
216.04128	0.4
217.01797	0.9
217.05058	8.0
218.02135	0.2
218.05508	0.4
219.03009	4.3
219.06424	1.0
220.03496	0.2
221.04581	0.2
221.08194	0.5
223.04088	0.2
224.04709	0.2
225.05576	1.8
226.02824	0.3
226.06258	0.2
227.03520	2.3
227.07060	0.7
228.04343	0.8
229.01457	0.4
229.05051	2.2
229.75877	0.1
230.02177	0.3
230.05698	0.3
231.02991	1.6
231.06627	0.3
232.03639	0.2
237.05650	0.4
239.03481	0.5
239.07080	0.4
240.04242	0.4
241.05049	1.6
242.02194	0.4
242.05898	0.2
243.02985	22.2
243.06520	1.8
244.03458	2.0
244.05960	0.2
244.06921	0.1
245.04546	12.1
245.08203	3.9
246.00868	0.1
246.04936	0.7
246.08571	0.2
247.06169	0.6
249.05551	0.4
251.03510	0.5
251.07248	0.3
253.05070	1.2
254.05783	0.3
255.02994	7.2
255.06589	0.4
256.03745	2.8
257.04541	2.2
258.05164	0.2
259.02469	0.2
259.06161	0.4
261.04031	6.7
262.04373	0.4
263.03369	0.2
264.04370	0.3
265.04999	0.4
266.05505	0.2
267.03082	0.8
267.06613	0.5
268.03781	0.3
269.04535	3.8
270.05014	0.4
271.02441	0.6
271.05878	0.7
273.03973	1.5
277.05145	0.2
279.03027	0.7
279.06503	0.3
280.03671	0.3
281.04562	2.8
281.07727	0.3
282.01733	1.4
282.04987	0.3
283.02478	2.4
283.06009	0.5
283.09296	0.1
284.03241	0.6
285.04092	2.9
285.07635	0.4
286.04654	0.7
287.05612	37.3
288.02939	0.3
288.05933	2.5
289.07181	13.5
290.07657	0.7
291.06577	0.4
293.04538	1.1
293.07446	0.2
295.02530	1.1
295.06207	0.6
296.03098	0.2
297.04062	1.1
297.07642	0.4
298.04849	0.3
299.05594	2.5
300.06030	0.2
301.03702	0.3
301.07144	0.2
303.05322	0.2
304.03741	0.2
305.04547	0.4
306.05383	0.2
307.02441	0.2
307.06036	0.2
309.04004	0.5
309.07620	0.3
311.05615	0.7
313.07138	0.3
315.08679	0.2
317.04709	0.3
319.06158	0.5
321.04004	0.3
321.07571	0.3
323.05673	0.4
325.03445	0.2
326.04443	0.2
327.05106	1.0
327.08493	0.2
328.05566	0.2
329.06738	1.5
331.08456	0.3
335.05710	0.7
337.03571	0.3
337.07224	0.8
339.04926	0.4
339.08780	1.7
341.06638	1.1
343.05945	0.2
345.04132	0.2
345.23615	0.1
346.04736	0.2
347.05753	0.2
351.04984	0.2
359.05499	0.3
361.03455	0.6
361.07321	0.3
363.05109	0.8
363.08582	0.3
365.06589	0.5
367.08316	0.3
369.09912	0.3
373.03415	0.4
373.07492	0.2
374.04211	0.3
375.05255	0.4
377.06659	0.2
379.04517	0.3
379.08289	1.2
381.05588	0.7
381.09885	0.6
383.07611	0.6
387.05048	1.1
389.06671	0.4
391.04459	0.7
395.07779	1.2
399.05002	0.2
403.04361	0.2
405.06107	6.2
406.06564	0.5
407.07721	17.5
408.08173	1.7
409.09296	0.4
411.07330	0.4
413.08804	12.8
414.09134	1.1
417.06125	0.4
419.07797	0.5
423.07178	7.3
424.07501	0.6
425.08813	9.8
426.09274	1.0
431.07800	0.4
433.09396	0.6
435.07401	0.6
437.08545	0.3
447.07156	0.4
449.08768	8.7
450.09198	1.1
451.10376	5.7
452.07065	0.5
452.11346	0.3
453.08215	0.3
455.09644	0.2
457.09317	0.2
459.07391	0.3
465.08115	0.5
467.09875	0.6
468.10437	0.2
475.10229	0.3
493.11389	0.2
499.10391	0.2
513.09204	0.2
525.08081	1.6
531.08661	1.4
533.10712	1.5
535.12518	0.2
541.07880	0.4
543.09430	1.0
544.09967	0.2
549.10242	1.5
550.10437	0.2
557.10938	1.3
559.12708	1.1
561.10773	0.6
567.09418	0.4
569.11145	0.9
575.11981	16.7
576.12408	2.4
577.13556	14.8
578.13873	2.0
579.14215	0.2
585.10651	0.6
587.11975	2.7
588.12170	0.5
611.12646	0.2
616.12201	0.4
617.12756	0.6
619.14520	0.4
629.13312	0.4
641.58856	0.1
651.11145	0.3
661.09552	0.2
669.14539	0.4
677.13470	0.2
683.14008	0.2
693.12720	1.7
694.12885	0.3
695.14252	4.6
696.14783	0.5
701.15222	3.0
702.15961	0.4
705.12750	0.4
711.13922	1.3
712.13141	0.2
713.15289	1.7
714.15497	0.3
721.15845	0.2
737.15363	1.3
738.15399	0.3
739.16797	4.5
739.29590	0.3
740.16443	1.0
741.15527	0.2
755.15503	0.2
805.17712	0.2
813.14795	1.0
814.14728	0.2
821.18103	0.7
831.15564	1.3
832.17542	0.2
845.17944	0.2
847.19415	0.7
849.17310	0.5
857.17090	0.7
863.18842	2.8
864.19165	0.6
865.03052	0.3
865.20142	5.3
866.20508	1.2
875.18011	0.4
907.20911	0.3
939.21143	0.2
957.22614	0.3
965.19806	0.5
983.20795	4.0
984.20734	0.9
1001.21863	1.8
1002.22150	0.5
1009.21997	0.2
1027.22974	1.4
1028.23926	0.3
1135.24854	0.3
1153.26294	2.1
1154.26746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.004
Annotation	Maleic acid
Peak:m/z	Relative Intensity
68.69288	2.3
69.44686	18.3
69.45100	9.8
70.61539	2.4
71.01392	100.0
71.05049	2.4
72.01716	3.1
74.02479	6.7
79.63344	2.4
85.72482	2.6
86.44112	2.5
115.00397	12.9
116.07192	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	115.0403
Annotation	LEVULINIC ACID
Peak:m/z	Relative Intensity
59.01387	33.6
69.03445	5.0
70.68909	3.7
71.01382	53.9
71.05026	98.5
72.04554	9.1
72.05325	3.6
73.04090	14.3
74.02486	56.4
79.21068	3.8
87.00900	10.9
87.04520	6.3
97.02968	17.3
97.93150	34.8
98.02524	6.0
114.93425	100.0
115.00415	17.0
115.04022	87.2
115.07642	4.7
116.02557	15.4
116.03493	6.6
116.06450	7.5
116.07198	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
69.88655	10.6
69.89082	8.1
71.01389	100.0
71.05000	3.9
74.02465	3.7
87.00875	5.3
97.22173	3.1
115.00397	16.5
115.04019	3.8
115.92065	3.3
116.07169	18.2
121.23106	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	112.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37190	0.5
52.40759	0.5
55.01873	1.1
57.03451	3.4
67.41193	0.5
68.99577	100.0
69.03447	1.2
69.99910	1.4
70.39091	2.1
71.01392	0.7
72.99308	4.1
84.02185	1.1
84.63798	0.5
85.02961	11.6
85.75667	0.5
86.03317	0.8
97.65159	0.5
112.01710	0.6
112.98601	3.9
113.02472	5.1
114.05657	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	113.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.6
57.03449	35.4
59.45308	1.4
67.01884	1.9
68.99575	47.5
69.03451	11.4
71.01385	6.3
71.72012	2.9
72.00906	2.5
76.50887	1.8
78.17241	1.5
81.03461	5.8
83.01394	4.4
84.01733	2.2
84.02170	13.0
85.02958	100.0
86.03297	4.4
95.01376	1.7
112.98689	1.5
113.02465	41.1
113.03304	2.2
113.03632	3.3
113.06136	1.8
114.01984	5.2
114.02789	1.8
114.05622	21.5
124.12439	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	1102.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03477	1.0
102.91943	0.8
107.01380	1.9
109.02979	1.2
125.02472	5.9
131.04973	1.0
133.02971	1.3
137.02432	1.0
138.85757	0.7
151.00401	3.0
151.04063	2.5
153.01970	1.0
155.05037	1.8
157.02985	2.1
165.01950	1.4
173.06111	2.0
174.03261	0.9
175.03993	8.0
177.01927	2.9
177.17667	0.9
182.02312	1.3
189.05579	0.9
191.05371	0.8
197.04553	1.8
199.04036	14.6
200.04326	0.9
201.01955	2.3
203.03516	1.3
217.05125	3.7
219.02939	1.1
243.02985	50.6
244.03345	3.7
254.51454	0.9
259.02490	2.7
260.03226	1.1
261.04041	66.6
262.04279	4.1
262.95880	0.7
285.04053	1.2
301.03757	1.0
303.05130	5.7
375.07208	5.0
379.74457	0.7
409.54660	0.8
417.08224	9.6
435.09360	2.9
459.09143	2.6
477.10419	18.9
478.10471	1.4
519.11432	100.0
520.11829	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.5
67.01544	2.2
67.01895	36.3
68.02218	1.2
71.47710	2.9
78.95914	100.0
83.01386	13.0
83.05035	2.6
110.97681	1.6
110.98540	4.1
111.00900	76.4
111.04543	1.8
111.71457	1.2
112.01220	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
50.20199	0.4
50.48722	0.5
55.01879	6.7
67.01901	8.6
69.49572	4.8
69.75606	0.5
71.01382	1.0
78.95912	100.0
81.03467	1.9
83.01397	20.5
83.05050	3.5
84.01735	1.3
91.27765	0.5
93.03470	1.5
98.19850	1.0
110.97782	0.7
110.98566	3.4
111.00902	21.5
111.02070	0.9
111.04532	2.2
112.01237	1.1
116.96257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9883
Annotation	Acetylenedicarboxylate
Peak:m/z	Relative Intensity
50.37190	0.5
52.40759	0.5
55.01873	1.1
57.03451	3.4
67.41193	0.5
68.99577	100.0
69.03447	1.2
69.99910	1.4
70.39091	2.1
71.01392	0.7
72.99308	4.1
84.02185	1.1
84.63798	0.5
85.02961	11.6
85.75667	0.5
86.03317	0.8
97.65159	0.5
112.01710	0.6
112.98601	3.9
113.02472	5.1
114.05657	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	1087.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	2.4
85.02964	1.2
89.02389	0.1
91.01905	0.5
93.03474	1.2
95.01408	0.6
96.81048	0.1
99.00896	0.5
103.00406	0.4
107.01406	7.4
108.02225	0.3
109.02965	4.0
113.02457	1.4
115.00377	0.2
119.01441	0.7
121.02972	6.9
123.00829	0.1
124.01683	0.2
125.02459	0.4
135.00902	0.9
137.02420	0.2
139.04013	0.8
143.05046	0.2
146.03777	0.3
147.00929	0.2
148.01773	0.4
149.02483	1.3
151.00389	32.1
152.00690	1.1
157.06644	0.2
158.03749	0.1
159.04562	0.7
161.02460	0.5
161.06171	0.2
162.37703	0.2
163.00388	4.4
163.03999	0.3
164.01151	0.6
165.02014	0.1
167.05023	0.4
169.01459	2.1
171.04518	0.2
172.05229	0.1
173.06081	0.3
175.02469	0.8
175.04024	0.5
176.01050	0.1
178.99873	16.2
180.00278	0.6
183.04478	0.9
185.02502	0.3
185.06136	0.5
187.04033	0.9
189.02019	0.2
189.05594	0.2
190.99892	0.4
192.00670	0.4
193.01494	0.8
199.03952	0.4
201.02100	0.1
201.05600	1.1
203.03543	0.7
205.05013	0.3
211.03978	2.3
212.04738	0.3
213.01898	0.4
214.02596	0.2
215.03477	0.4
216.04189	0.2
217.05083	0.3
226.02769	0.3
227.03499	2.4
228.04169	0.5
229.05014	2.2
231.02837	0.1
239.03535	0.8
240.04146	0.4
243.02994	1.5
244.03714	0.2
245.04543	3.4
246.04872	0.3
254.02222	0.4
255.02975	7.3
256.03506	1.1
257.04523	0.5
266.02127	0.6
271.02472	6.3
272.02979	1.1
273.04050	3.0
274.04395	0.3
283.02481	2.8
284.03012	0.4
299.01993	0.6
299.97729	0.2
300.02753	10.2
301.03531	100.0
302.03860	6.8
321.17337	0.1
477.06732	66.2
478.07071	9.4
609.14777	10.6
610.14996	2.2
1001.93066	0.2
1057.74597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.28
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03476	0.4
83.05046	0.3
84.61330	0.2
85.02960	5.0
87.00895	1.3
93.03466	3.0
98.19816	0.4
99.04532	0.2
107.05026	1.0
109.02972	0.5
111.04510	1.2
117.03455	0.3
127.04033	1.5
130.25612	0.2
133.03003	1.4
134.03802	3.6
135.04544	41.8
136.04866	2.0
137.02455	0.3
155.03514	1.0
161.02457	3.5
171.03102	0.4
173.04538	3.0
174.04784	0.3
177.01952	0.4
179.03513	42.6
180.03850	2.0
186.18332	0.2
191.05624	82.9
192.06010	3.2
206.89307	0.2
213.97920	0.3
233.85416	0.3
243.06758	0.3
339.05457	0.3
351.07129	0.3
353.08786	100.0
354.09128	9.9
355.09122	0.3
496.63669	0.2
514.10663	0.3
515.10883	0.3
606.93744	0.3
632.95410	0.2
679.49170	0.3
707.18079	1.3
708.18146	0.4
778.66150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.3
83.05029	0.2
85.02959	6.0
86.03275	0.1
87.00890	1.2
93.03470	2.6
99.04509	0.2
109.02972	0.6
111.00876	0.1
111.04534	0.9
125.02454	0.2
127.04034	1.8
129.02000	0.1
133.02942	0.6
135.04556	0.7
137.02493	0.2
153.01933	0.1
155.03452	0.1
161.02452	1.8
171.03000	0.5
173.04561	1.2
179.03470	0.7
181.86513	0.1
191.05627	100.0
192.05968	3.7
203.85725	0.1
255.46010	0.1
264.09375	0.1
301.78735	0.1
351.07120	0.1
352.07654	0.1
353.08786	35.3
354.09131	2.6
513.10358	0.1
663.64392	0.1
707.18268	0.5
708.19189	0.1
1047.38403	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	1059.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03482	1.0
83.01406	0.4
83.05033	0.9
85.02430	0.4
85.02958	8.4
87.00888	6.1
93.03467	5.0
99.04537	0.4
107.01418	2.1
108.02181	0.7
109.02975	2.3
111.04530	3.3
121.02964	1.0
124.01731	0.3
125.02440	0.8
127.04015	2.4
129.01952	0.6
130.04247	0.4
133.03081	0.3
135.00919	0.5
135.04533	0.4
137.02481	0.9
143.08701	0.5
146.03748	0.9
148.01627	0.5
149.02452	0.4
149.05075	0.4
149.06076	2.0
151.00391	6.2
151.07651	0.3
152.00655	0.4
153.62727	0.3
155.03539	3.3
158.03772	1.2
159.04526	4.2
159.08194	0.4
161.02466	0.7
161.06136	0.4
161.09740	0.3
163.00386	1.3
164.01035	0.3
169.01430	0.5
171.03043	0.6
171.04451	0.4
172.05325	5.5
173.04559	7.6
173.06091	6.9
174.06721	1.2
175.04054	0.5
175.07619	1.3
177.05606	0.4
178.99901	2.8
182.03714	0.6
183.04579	2.0
184.05324	0.9
185.06169	0.5
187.04109	5.7
187.07658	53.7
188.04677	0.9
188.08009	2.9
191.05626	96.4
192.00722	0.4
192.05986	2.7
197.06142	0.9
198.06886	0.5
199.04018	1.5
200.04788	2.9
201.05579	9.6
201.09128	1.3
202.06371	20.1
203.03676	0.3
203.06827	1.5
203.10773	1.9
204.04320	1.4
211.03989	0.7
211.07629	1.8
212.08168	0.4
213.09219	14.4
214.09616	0.8
215.07138	17.7
216.04251	0.5
216.07724	2.6
226.02832	0.6
227.03511	3.4
227.07074	0.4
228.04240	1.5
229.05132	0.5
229.08698	9.0
230.09285	1.3
231.06760	7.9
231.10254	31.4
232.03784	1.0
232.07079	0.5
232.10655	1.4
243.02982	5.0
244.03497	0.4
245.00804	0.3
245.04620	0.7
246.05101	0.3
247.09692	1.4
254.02203	1.2
255.02992	13.4
256.03479	1.3
257.04175	0.5
257.08191	13.1
258.08490	0.6
271.02466	30.3
272.02930	2.5
273.03928	0.6
275.09238	58.7
276.09549	4.1
283.02463	0.8
299.01941	0.9
300.02762	53.5
301.03476	25.5
302.03833	2.4
303.04303	0.6
343.04529	0.5
405.11984	2.7
449.14532	100.0
450.08582	0.6
450.14859	10.7
477.06833	2.5
478.07202	0.6
479.07520	0.7
513.14758	0.3
609.14764	70.0
610.15070	10.3
611.15784	0.5
784.18976	0.3
898.28192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
58.00591	0.7
59.01377	17.2
60.08223	0.7
69.59206	2.5
69.59628	3.6
71.02579	0.7
72.99312	53.3
73.99620	1.4
75.00879	29.0
76.01198	0.8
77.47984	0.7
84.71660	0.7
90.99640	0.7
98.19891	1.7
103.00381	1.3
105.01949	100.0
106.02269	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	1057.248
Annotation	Unknow
Peak:m/z	Relative Intensity
78.22050	0.1
83.01411	0.5
86.34835	0.2
91.01898	0.2
93.03451	0.3
99.04481	0.2
101.02445	0.2
107.01408	2.4
108.02186	0.7
109.02997	1.2
113.02485	0.2
113.69956	0.2
121.02966	1.5
124.01691	0.2
125.02467	0.8
135.00905	0.6
145.02974	0.2
146.03688	0.2
148.01735	0.8
149.02441	0.4
151.00389	10.9
153.01884	0.2
160.05354	0.2
161.06064	0.2
163.00385	2.0
164.01125	0.4
165.01941	0.2
169.01416	0.7
173.06039	0.1
175.04015	0.2
178.99886	4.8
180.00180	0.2
183.04485	0.4
187.03960	0.4
189.02020	0.2
190.99840	0.3
192.00655	0.3
193.01411	0.2
199.03973	0.4
201.05580	0.4
203.03557	0.2
211.03976	0.9
212.04651	0.2
213.01924	0.2
215.03490	0.5
216.04166	0.4
217.01451	0.2
226.02715	1.2
227.03500	2.3
228.03934	0.3
229.04947	0.7
239.03513	0.3
239.12903	0.4
243.02997	6.6
244.03461	0.6
245.04478	1.1
254.02292	2.0
255.02969	22.5
256.03369	1.8
257.04614	0.3
265.03775	0.1
271.02463	43.4
272.02905	4.0
273.03946	0.9
283.02466	1.6
283.11926	0.3
284.03210	0.2
285.03983	0.7
299.01965	1.1
300.02753	100.0
301.03479	47.1
302.03885	2.9
313.03589	0.2
325.03668	0.2
329.13837	0.4
343.04471	0.5
445.07593	0.3
449.10556	0.3
463.08798	35.8
464.09158	3.5
505.09845	20.4
506.10275	2.0
529.62799	0.2
545.12964	5.9
546.13550	0.7
547.10480	0.3
548.10822	0.2
593.15271	0.2
594.15155	0.2
607.13062	88.8
608.13416	11.8
608.21179	0.4
609.14282	0.4
976.27142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	0.9
76.27423	0.3
78.98648	0.3
79.95744	1.1
80.96527	3.2
81.03452	1.9
83.01401	0.6
83.05036	2.1
84.02171	0.4
84.02930	0.3
85.02957	17.5
86.03291	0.3
87.00880	4.0
89.02445	1.3
93.03468	10.2
94.98107	0.6
95.01379	0.9
95.05038	0.7
96.96018	0.3
97.02964	0.3
99.04526	1.1
101.02451	2.1
106.62919	0.3
106.94684	0.3
109.02962	2.8
111.00914	0.4
111.04539	2.9
113.02448	1.3
119.03520	0.3
122.03806	0.3
123.04514	0.4
125.02467	3.4
127.04039	5.1
129.01936	0.6
129.63220	0.3
130.04268	0.8
133.02968	0.8
135.04521	0.9
135.08235	0.3
137.02437	1.6
143.03511	0.3
145.06613	0.5
146.03763	0.7
149.02472	0.5
151.04005	0.8
151.92976	0.3
153.01927	0.3
155.03519	1.1
155.05011	0.4
158.03716	1.1
159.04507	3.5
160.05341	2.3
161.02448	1.4
161.05859	0.4
162.03238	0.3
163.11290	0.9
164.01125	0.5
164.98640	1.0
165.01949	0.8
165.12791	0.7
171.02971	1.0
171.04469	0.6
172.05315	10.6
173.04544	3.4
173.06036	4.4
174.03239	0.4
174.06812	1.1
175.04004	0.3
175.07549	0.5
177.01868	0.4
183.04492	0.9
184.05205	0.6
185.06026	1.9
186.03242	0.5
186.06868	1.8
187.04010	4.6
187.07666	0.6
188.04681	0.6
191.05621	100.0
192.05949	3.9
195.06665	0.3
196.05415	0.3
197.06107	0.8
198.06876	0.8
199.04025	5.8
199.07619	0.6
200.04817	3.2
201.05550	3.4
202.06377	5.1
203.07034	0.3
204.04243	3.5
209.09842	0.7
209.11832	13.4
210.12117	0.8
211.04002	0.8
211.07579	0.9
212.04684	0.6
213.05573	0.6
214.06381	0.6
225.00749	1.5
225.05447	0.4
226.02698	0.4
226.06380	0.3
227.03500	18.6
227.10851	0.5
227.12820	0.6
228.04243	8.8
229.04750	0.7
232.03754	0.8
239.14406	1.1
241.12309	0.4
242.05699	0.4
243.03085	0.3
255.13913	1.4
257.15436	1.4
265.12390	0.5
267.13965	0.6
268.10938	0.4
271.13220	0.4
281.15411	0.9
283.13391	99.9
284.13736	9.4
285.14981	1.4
287.05521	0.4
289.07126	0.9
297.14856	0.5
299.13116	0.6
299.16541	1.9
301.14465	17.7
302.14590	1.7
309.14972	9.5
310.15353	1.1
311.12888	9.0
311.15707	0.2
312.13284	1.0
317.13919	0.4
317.17526	0.4
325.14548	2.6
327.12314	9.2
327.16031	19.0
328.12650	0.9
328.16364	1.4
329.13922	2.4
330.14468	0.5
335.12943	0.4
339.16049	0.5
343.15488	0.9
345.13351	1.6
345.17072	4.2
346.17563	0.7
353.13940	15.3
354.14133	1.6
357.17139	0.7
371.14987	4.6
372.15582	0.5
375.18121	0.6
397.13428	0.4
445.18924	0.4
467.49716	0.3
537.23425	1.1
563.21790	0.4
581.26569	1.8
589.23816	0.4
596.67670	0.3
607.23816	2.4
625.25299	0.4
642.99561	0.3
747.36792	0.7
773.34827	3.1
774.35187	0.6
775.35907	0.9
791.38690	10.2
792.39063	2.4
799.36688	0.6
804.11670	0.4
805.36768	0.5
817.36755	49.0
818.37042	12.0
823.40375	0.6
835.37775	28.3
836.38232	5.6
849.39539	12.4
850.40076	3.0
867.40588	11.3
868.41125	2.2
1009.43237	19.1
1009.60089	0.2
1010.43427	5.3
1041.45496	43.8
1042.45837	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.233
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	1.4
83.01402	4.0
89.03970	0.4
93.03474	1.7
95.01383	0.6
95.05022	1.5
97.02962	3.5
99.04533	0.4
107.01395	2.1
107.05055	1.0
108.02197	1.4
109.02971	15.7
117.03460	0.6
119.04985	0.5
121.02987	3.8
123.00906	0.5
123.04549	9.6
124.04811	0.6
125.02466	100.0
126.02790	2.8
131.05135	0.4
133.02989	3.4
135.00888	1.2
135.04523	1.8
137.02466	25.1
138.03064	0.6
139.03995	2.2
143.05046	0.9
145.02936	1.0
146.03729	1.2
147.04561	0.5
148.01701	1.2
149.02458	3.6
150.03210	1.0
151.00397	9.0
151.04025	10.3
159.04535	3.3
160.05312	1.2
161.02464	26.5
161.06091	3.6
162.03201	2.1
163.00410	2.9
163.04005	3.1
164.01187	4.2
165.01959	4.5
167.03563	1.0
169.01399	0.6
171.04579	0.5
173.06056	0.9
174.03154	0.6
175.04034	8.1
175.07675	1.3
177.01944	5.3
177.05603	1.2
178.02463	0.5
178.99878	4.1
179.03514	4.2
184.05240	0.4
185.06110	1.1
187.04031	6.7
188.04800	2.2
189.01825	0.5
189.05563	0.8
191.03508	0.9
191.05626	0.4
193.05060	0.7
199.03999	1.3
199.07614	0.4
201.05621	1.7
202.06323	1.5
203.03513	1.3
203.07158	9.5
204.07446	0.5
205.01448	2.2
205.05070	7.0
211.03979	1.1
212.04750	0.9
213.05557	1.1
214.02744	0.8
215.03510	1.7
216.04228	0.7
217.05064	1.7
219.02945	0.4
221.08199	1.8
225.05641	0.5
226.02707	1.5
227.03542	3.3
227.07106	1.2
228.04086	1.0
229.05061	3.8
230.05890	0.9
231.03003	0.9
231.06555	0.5
241.05106	0.5
243.02997	10.4
243.06593	1.1
244.03510	1.3
245.04514	5.1
245.08176	14.0
246.04930	0.5
246.08543	0.7
247.06134	1.2
253.05049	0.7
254.02261	1.7
255.02980	28.8
256.03571	4.6
257.04480	1.5
269.04535	1.5
271.02469	49.9
272.02872	5.9
273.04047	6.3
281.04529	2.9
282.05075	0.4
283.02448	2.5
284.03299	0.5
285.04184	2.4
285.07266	0.6
287.05612	17.7
288.02921	0.7
288.05771	0.7
289.07184	67.6
290.07544	4.6
297.03964	0.8
297.07343	0.4
299.02017	1.6
299.05627	7.7
300.02765	80.9
301.03473	33.0
301.06161	0.2
302.03772	2.4
315.08481	0.4
329.06583	0.8
339.08694	3.3
341.06769	0.5
343.04544	0.5
381.09927	1.5
389.06650	0.5
407.07724	45.9
408.08124	5.0
409.09390	0.4
420.66815	0.4
425.08786	68.6
426.09091	7.4
451.10327	17.8
451.16739	0.6
452.10730	2.3
463.08798	62.0
464.09189	9.4
465.09250	2.0
559.12439	2.9
560.12921	0.4
577.13562	54.0
578.13818	7.9
718.85864	0.4
744.57050	0.4
833.60486	0.4
926.23468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.8
90.44379	0.1
91.01891	0.2
93.03465	0.2
95.01376	0.2
97.02945	0.1
107.01411	1.8
108.02180	0.9
109.02964	1.1
115.53003	0.1
119.01379	0.2
119.05066	0.1
121.02984	1.4
121.31436	0.1
122.03276	0.1
123.04543	0.3
124.01673	0.2
125.02463	1.6
125.03320	0.2
133.02959	0.2
135.00902	0.5
135.04564	0.1
137.02478	0.6
139.04051	0.1
147.00879	0.3
147.04556	0.2
148.01672	0.9
149.02502	0.5
151.00386	7.8
152.00841	0.3
153.01976	0.2
157.06628	0.1
159.04488	0.4
161.02501	0.6
163.00389	2.3
163.04051	0.2
164.01204	0.7
165.01924	0.4
167.04994	0.1
169.01488	0.7
171.04460	0.2
173.02324	0.1
173.06059	0.2
174.03328	0.1
175.04135	0.4
177.01945	0.3
178.99884	4.0
180.00310	0.1
183.04498	0.4
185.06195	0.1
187.03996	0.5
188.04681	0.2
189.01956	0.1
189.05466	0.1
190.02592	0.1
190.99815	0.2
191.03487	0.1
191.05692	0.2
192.00653	0.2
193.01372	0.2
198.03166	0.2
199.03979	0.7
200.04573	0.2
201.02016	0.2
201.05566	0.4
202.02600	0.1
203.03503	0.3
205.05055	0.2
211.04021	0.9
214.02722	0.1
215.03453	0.4
216.04240	0.3
217.05000	0.3
226.02739	0.9
227.03506	1.9
228.04103	0.2
229.01422	0.2
229.05022	0.6
231.02925	0.1
239.03439	0.3
240.04185	0.2
241.01492	0.3
241.04982	0.2
242.01945	0.2
243.02979	6.5
244.03503	0.8
245.00916	0.1
245.04483	1.1
245.08344	0.2
246.04855	0.1
254.02187	1.7
255.02975	19.2
256.03354	1.6
257.04550	0.3
266.02032	0.1
267.02994	0.1
269.04312	0.1
270.01675	0.4
271.02457	41.0
272.02896	3.8
273.04010	0.9
281.04669	0.1
281.30615	0.1
282.01727	0.1
283.02435	0.9
284.03250	0.1
285.04044	1.6
286.04376	0.2
287.05377	0.3
289.07205	0.8
297.03961	0.2
298.01071	0.2
299.01923	1.4
300.02747	76.7
301.03467	35.0
302.03888	2.7
307.06296	0.1
327.05167	0.1
343.04523	0.4
405.05847	0.1
407.07724	0.3
411.07227	0.1
423.07239	1.1
424.07553	0.1
449.08752	0.7
453.08313	0.1
461.07239	0.5
462.07574	0.7
463.08783	100.0
464.09131	10.8
465.09409	0.3
471.10541	0.1
477.06415	0.1
539.09485	0.2
573.10101	0.1
574.10565	0.1
574.61499	0.1
575.11987	3.1
576.12610	0.5
1063.22302	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	1025.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	1.1
83.01392	8.5
85.02968	1.2
93.03468	1.9
95.01402	1.4
96.34543	0.8
97.02969	1.7
107.01402	26.1
109.02959	11.8
118.76123	0.8
118.95689	0.7
121.02979	5.6
122.03725	1.3
123.00890	0.8
123.04545	12.3
124.01670	4.2
125.02467	54.8
126.02786	1.5
133.03001	5.0
135.00920	1.2
135.04488	3.6
137.02467	11.2
139.04050	2.1
143.05023	1.3
145.02969	1.1
147.00890	2.9
147.04518	2.4
148.01631	0.8
149.02472	6.9
150.03258	12.9
151.00392	93.1
151.04018	22.0
152.01193	13.0
152.04327	1.7
153.01929	2.4
157.06612	0.7
159.04523	1.6
160.01707	1.1
161.01143	0.9
161.02463	11.7
161.06107	2.6
162.03159	1.1
163.00378	14.3
163.04028	1.5
164.01184	5.8
165.01952	7.7
167.03589	1.0
169.01419	2.9
171.04544	1.7
173.02403	0.8
173.06099	1.9
174.03241	2.7
175.04022	13.9
176.01180	5.5
177.01941	13.0
178.99883	18.4
179.03500	1.9
181.01433	1.0
185.06134	2.1
187.04039	4.6
188.04778	2.4
189.01994	1.1
189.05557	2.9
190.02744	0.8
191.03798	1.4
191.05630	5.7
195.20909	0.8
197.06046	1.3
198.03279	1.2
199.04027	9.1
200.04370	0.8
201.01918	2.1
201.05606	1.1
202.06415	0.8
203.03484	1.9
203.07175	3.7
205.01508	1.1
205.05081	3.1
211.03943	2.7
212.04683	1.4
213.05559	3.7
215.03488	2.6
217.01468	0.9
217.05034	8.8
219.02994	0.8
225.05623	1.1
227.03543	2.7
229.05084	2.6
231.06389	1.0
239.03467	1.9
240.04243	2.0
241.05042	7.0
242.05743	0.8
243.02939	4.8
243.06668	1.7
245.04498	1.6
245.08147	5.9
253.05040	1.0
255.03014	4.3
255.06773	1.1
256.03772	2.2
257.04495	6.8
259.06018	1.9
267.02979	1.8
268.03790	0.8
269.04456	3.0
273.04059	1.4
275.05548	1.6
281.04581	1.6
283.02512	1.4
283.06094	1.2
284.03317	1.5
285.04044	100.0
286.04419	7.5
287.05823	3.7
289.07169	26.1
290.07587	1.5
295.02698	0.8
297.04089	2.9
297.09769	2.9
301.03305	1.1
302.04379	2.4
303.05121	23.8
304.05490	2.6
307.06241	4.2
309.04056	1.9
313.03586	1.1
319.06192	1.6
323.08157	1.6
327.05109	3.3
347.05182	1.0
368.37143	0.7
375.05145	0.7
387.04922	2.6
388.05777	1.3
389.06772	1.4
405.80426	0.8
407.07739	11.7
408.07874	1.4
411.07208	1.6
423.07217	47.6
424.07428	6.6
431.09262	1.0
435.07153	1.4
447.07278	3.7
449.10822	72.4
450.11264	9.0
452.07291	7.1
453.08362	4.2
460.77313	0.9
471.10904	2.3
531.13086	1.2
539.09875	12.9
540.10156	1.5
542.70898	0.8
557.10651	1.9
575.12006	98.9
576.12329	17.1
833.21313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.72403	1.0
79.50674	0.7
83.01418	1.1
83.20208	0.7
107.01386	1.0
109.02969	2.1
120.99677	1.7
122.06142	1.4
125.02459	4.5
131.05055	1.8
133.02982	1.2
149.06163	0.8
151.00357	4.3
151.04019	3.2
152.07199	2.6
153.01953	1.2
155.05052	2.4
160.04007	0.7
171.04515	0.9
173.06081	2.8
174.03255	1.1
175.04044	7.8
177.01949	3.2
191.03543	0.9
192.06673	1.3
193.05016	2.4
196.32982	0.7
199.04031	10.7
201.02087	1.0
201.92357	0.8
203.03542	1.0
204.04373	0.8
217.05064	5.8
219.06551	0.7
233.04556	1.0
243.02980	38.5
244.03285	1.8
259.02512	1.1
261.04037	60.9
262.04382	4.8
303.05054	0.9
325.11771	1.0
339.05045	1.0
357.14603	1.1
375.07257	2.2
417.08322	5.4
435.09366	2.7
477.10410	100.0
478.10669	11.9
540.10052	2.6
540.19623	1.4
541.24731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	0.9
73.02961	1.1
75.00861	0.2
76.30923	0.1
77.03973	0.4
79.01887	0.2
79.05531	0.2
81.03461	0.3
83.01390	0.7
85.02981	0.4
89.02474	0.2
94.43694	0.1
95.05080	0.2
97.06582	0.2
99.04533	9.3
100.04864	0.3
101.02448	3.6
105.03480	0.5
107.01392	0.8
109.02988	0.3
113.02473	0.2
113.06084	0.2
119.05044	0.2
121.02969	0.7
123.04530	1.2
123.08170	0.5
125.02467	3.1
125.06081	0.6
125.13789	0.2
126.02781	0.2
131.05034	0.3
133.02979	0.3
135.08345	0.2
137.02493	0.1
141.05598	0.3
143.03505	0.3
147.04524	0.4
149.02451	2.3
151.00430	0.8
151.04033	0.6
152.00734	0.2
155.05072	0.3
156.05377	0.2
157.02975	0.2
161.02426	0.9
161.04576	17.5
161.48070	0.2
162.04903	0.4
163.04012	1.0
165.02002	0.2
167.07195	0.4
173.02509	0.2
173.06099	0.8
174.03226	0.3
175.04045	1.4
176.04295	0.4
177.02003	0.5
179.03378	0.4
187.03979	0.2
188.08376	0.2
189.05583	0.3
190.02707	0.3
191.03546	1.0
193.05061	0.3
199.04036	1.9
200.04355	0.7
202.06407	0.2
203.03505	0.3
203.05580	0.6
203.10855	0.3
204.04282	0.3
207.10164	0.3
215.03516	0.2
216.00618	0.4
217.05057	9.4
218.05830	16.1
219.06296	1.4
228.04298	0.2
229.05095	0.4
229.46898	0.2
230.05772	0.3
231.06662	0.2
231.10291	0.5
232.07382	1.1
233.06386	0.2
233.08220	2.6
243.02979	6.3
244.03337	2.8
245.03583	0.7
245.08180	0.6
246.08832	0.2
247.09741	40.9
248.10072	2.9
257.04507	0.2
257.05725	0.2
257.08118	1.5
258.05243	0.2
259.09619	0.9
261.04025	9.8
262.04367	4.3
263.04648	1.5
263.07672	12.7
264.07974	0.5
271.09903	0.2
273.07663	1.1
275.09235	100.0
276.09576	7.1
278.07919	0.6
287.09256	5.8
288.09570	0.3
289.10867	0.4
299.09070	0.2
301.03552	0.7
303.08575	0.4
305.10303	19.9
306.10632	1.7
317.10294	0.8
335.11267	0.2
341.10312	0.5
359.11230	1.4
375.20288	1.3
376.20459	0.5
377.12372	3.3
395.13470	31.8
396.13840	2.6
437.14523	9.8
437.20584	0.3
438.14990	0.8
477.10300	3.2
477.17624	1.3
478.10828	2.6
479.10995	1.7
539.17627	39.4
540.18011	5.3
629.22980	0.2
684.95862	0.2
731.26410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	4.7
71.72229	0.4
78.95901	0.5
79.95758	0.7
80.96521	2.3
81.03465	1.1
83.01385	0.7
83.05032	2.7
84.02176	0.4
85.02957	12.7
87.00887	3.3
89.02464	0.9
93.03468	7.6
94.98100	0.9
95.01390	0.7
99.04537	0.5
101.02453	1.8
106.62855	0.3
108.02159	0.4
109.02963	2.1
111.00876	0.4
111.04559	2.7
113.02463	0.9
121.02898	0.3
121.32427	0.3
123.04533	0.6
125.02462	3.5
126.02802	0.3
127.04013	2.3
129.00604	0.3
129.01953	0.5
130.04230	0.6
131.05072	0.4
133.02998	0.7
135.04517	0.5
137.02441	1.7
146.03735	0.7
148.99121	0.5
149.02391	0.5
150.03198	0.5
151.00381	0.6
151.04021	0.5
151.11307	0.4
155.03513	1.3
158.03729	1.0
159.04523	3.6
160.05331	2.8
161.02499	1.6
161.06036	0.5
162.02910	0.5
163.11310	1.4
164.01172	0.4
164.98566	0.4
165.01976	0.7
165.12894	1.0
171.03023	0.8
171.04524	0.5
171.10263	0.7
172.03798	0.6
172.05310	12.4
173.04550	2.5
173.06052	4.8
174.03217	0.4
174.06801	0.9
175.03992	0.9
177.01941	0.9
177.05518	0.3
179.03458	0.5
183.04492	0.6
183.08157	0.3
183.13960	1.5
184.05344	0.7
185.06094	1.6
186.03252	0.6
186.06885	2.0
187.04030	5.9
187.07623	0.6
188.04848	0.4
191.05624	60.6
192.05995	1.7
197.06113	1.0
197.11676	0.3
199.04031	4.2
199.07684	0.5
200.04762	2.8
201.05562	3.7
201.11279	0.3
202.06374	5.8
203.03423	0.4
203.06792	0.7
204.04295	3.0
209.06068	0.3
209.11844	14.3
210.12218	1.2
211.04048	1.0
211.07535	0.6
212.08383	0.5
213.05649	0.6
225.00758	1.0
225.11320	0.4
227.03502	11.6
227.06911	0.5
227.10770	0.5
227.12860	0.6
228.04236	4.5
229.04596	0.4
232.03735	0.8
235.08171	0.4
239.14410	1.1
241.12280	0.4
243.02985	0.4
245.04521	0.4
245.73387	0.3
253.09311	0.6
255.02936	0.4
255.13878	2.2
257.15390	1.3
271.13431	0.4
281.15494	0.7
283.13391	100.0
284.13760	9.3
285.04144	0.5
285.14938	1.4
289.07150	1.1
289.21680	1.4
290.07516	0.4
297.14902	0.4
299.13092	0.4
299.16507	1.3
301.03442	1.6
301.14417	17.9
302.14865	1.5
309.14972	7.2
310.15387	0.8
311.12924	6.3
312.13394	0.8
325.14667	1.8
327.12326	9.0
327.16034	17.6
328.12650	0.9
328.16406	1.6
329.13849	2.0
343.15424	0.4
345.13358	1.6
345.17105	3.4
346.17383	0.4
347.93369	0.3
353.09622	0.5
353.13940	7.3
354.14233	0.8
357.17175	0.4
371.15012	2.7
397.13403	0.7
407.07825	0.6
520.08331	0.3
537.23389	1.2
563.24738	0.5
581.26355	3.7
589.23108	0.5
607.23553	1.6
625.24847	1.2
747.36426	1.1
773.34863	2.5
774.36676	0.6
775.35962	0.4
791.38538	14.6
792.38770	3.6
817.36749	31.4
818.37177	6.1
835.37762	42.1
836.38275	11.0
836.51666	0.3
912.18341	0.4
969.87323	0.5
991.41815	0.6
1009.43054	47.2
1010.43402	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	1.1
71.72601	0.6
81.21920	0.4
83.01399	1.9
85.02955	0.9
89.02460	0.8
91.01928	0.4
93.03483	0.9
95.01425	0.5
101.02472	1.0
107.01396	3.0
107.05009	0.7
108.02193	0.9
109.02950	3.1
113.02477	0.7
117.03488	0.4
121.02962	0.4
123.04539	0.5
124.01668	0.4
125.02473	5.9
125.03320	0.7
131.05069	2.7
133.02966	2.1
135.00946	0.5
135.04515	0.4
137.02454	0.9
143.05064	0.8
145.02979	0.6
145.06638	0.5
147.04526	1.1
149.02412	1.2
149.06108	0.8
149.99602	0.4
151.00385	7.4
151.04031	2.8
153.01958	1.2
155.05066	3.4
157.02951	2.8
159.04549	0.5
161.02499	1.0
163.00342	0.8
163.04074	0.6
164.01216	0.5
165.01886	0.5
170.46715	0.3
171.04509	1.1
173.02510	0.5
173.04733	0.5
173.06102	3.4
174.03229	1.4
175.02594	0.6
175.04007	13.5
176.04424	0.7
177.01936	4.2
178.99934	1.1
179.03479	0.4
187.03989	1.5
189.01985	0.6
189.05533	1.1
190.02760	0.5
191.03648	1.6
191.05580	1.8
193.05084	1.8
198.03224	1.5
199.04013	23.7
200.04381	1.5
201.01912	3.0
201.05600	0.4
201.11319	1.0
203.03525	1.2
204.04124	0.8
205.04889	0.4
213.05521	0.5
215.03543	1.7
216.04192	0.4
217.05061	7.0
218.05527	0.3
219.02977	1.0
219.06688	0.4
226.02802	0.5
227.03490	1.4
229.05064	0.8
231.03056	0.9
232.03748	0.6
233.04623	0.9
241.05045	0.9
242.02138	1.9
242.05750	0.4
243.02975	91.1
244.03342	6.4
254.02188	0.4
255.02975	11.2
256.03604	2.0
257.04517	1.7
258.01733	0.4
259.02487	3.7
260.03076	0.9
261.04022	100.0
262.04376	7.5
267.03052	0.7
269.04477	0.6
271.02478	23.0
272.02872	2.5
273.04108	0.4
283.02655	0.6
285.04044	2.4
287.05731	0.8
288.02890	0.6
289.07117	1.0
291.06491	0.7
293.04770	0.4
299.02075	3.2
300.02753	48.3
301.03342	6.8
303.05109	11.8
304.05615	1.0
309.07663	2.2
311.05612	0.7
315.05011	0.4
317.91379	0.4
327.05212	0.6
327.08783	1.4
339.05261	0.7
341.06570	0.5
357.06122	2.1
375.07181	6.7
376.07693	0.7
405.51297	0.5
417.08276	15.5
418.08527	1.4
429.08319	0.4
435.09369	6.7
435.51678	0.4
436.09796	0.7
447.08704	0.4
449.14182	0.4
459.09326	5.9
460.09552	0.6
477.10410	44.6
478.10730	5.2
489.10123	46.6
489.26501	6.0
490.10474	6.3
490.26981	0.4
519.11420	95.9
520.11682	13.2
520.19580	0.6
786.32617	0.4
970.70746	0.4
1009.39307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73112	0.5
79.01916	0.1
79.05524	0.1
82.95795	0.1
83.05043	0.1
85.02982	0.1
89.38395	0.1
93.03482	0.1
95.05042	0.1
97.02953	0.1
97.06638	0.1
109.03012	0.1
111.04546	0.1
116.92897	0.3
125.02477	0.2
129.07106	0.1
131.05077	0.1
133.02951	0.1
135.00897	0.1
163.11269	0.1
171.10297	0.2
175.04030	0.1
183.13982	0.1
197.08328	0.1
198.03145	0.1
201.01971	0.1
209.11838	3.3
210.12202	0.2
210.54131	0.1
211.13332	0.3
214.02718	0.3
215.09355	0.1
221.08286	0.1
221.11775	0.1
227.03516	1.1
227.05661	0.1
227.12901	0.5
228.04288	2.0
229.04854	0.1
235.08000	0.2
238.06367	0.2
242.02200	0.2
243.03018	0.2
249.05609	0.1
253.08772	0.7
255.02986	1.6
256.03754	4.2
257.04196	0.5
263.07144	0.1
264.04138	0.1
265.05017	0.1
265.08813	0.1
267.02979	7.5
268.03351	0.6
269.04520	0.2
277.05182	0.2
279.06622	0.2
281.04587	0.5
281.08148	0.2
282.05377	0.8
283.06104	0.1
288.02747	5.3
289.03128	0.4
291.06647	2.0
292.06998	0.1
293.04562	0.3
295.06128	2.5
296.06845	1.1
297.07693	19.9
298.04642	0.1
298.08032	1.8
298.11255	0.1
309.07700	3.5
310.08041	0.4
312.06543	0.1
325.07303	0.2
327.08746	100.0
327.21432	1.4
328.09079	8.9
404.33850	0.1
445.20563	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	986.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	7.5
69.07057	22.1
71.01331	0.8
71.04985	4.3
71.08627	0.8
71.81246	0.7
73.02914	1.4
73.04282	0.5
77.03916	1.2
79.05482	49.6
80.05799	0.8
81.03407	10.2
81.07043	77.4
82.07396	0.9
83.04971	8.3
83.08609	12.5
85.02889	10.0
85.06530	3.4
91.03949	4.2
91.05467	38.3
92.05797	0.8
93.07031	61.3
95.04958	11.5
95.08592	46.7
97.02876	7.6
97.06512	9.6
97.10155	5.2
99.04444	1.3
99.08069	3.0
103.05459	1.2
105.04488	1.4
105.07017	29.9
107.04938	4.7
107.08578	35.0
109.02865	1.3
109.06512	4.5
109.10143	19.8
111.08080	4.7
111.11694	0.6
113.05939	0.6
113.09632	1.0
115.03922	0.7
115.05410	1.5
116.06236	0.8
117.07001	14.4
119.08556	23.4
121.06486	2.6
121.10122	25.9
123.08024	3.5
123.11699	6.3
125.09624	2.5
127.03904	4.3
127.07537	0.6
128.06212	1.4
129.05470	1.3
129.06984	5.1
130.07727	1.1
131.08546	20.6
133.06482	2.0
133.10104	21.9
135.08051	4.3
135.11674	20.0
137.09647	3.1
137.13249	1.5
139.07570	1.1
139.11169	1.4
141.06976	1.8
142.07817	1.0
143.08531	3.5
145.04951	2.7
145.06442	1.1
145.10100	15.8
147.08043	1.8
147.11673	12.4
149.09596	6.3
149.13237	14.9
151.03854	0.5
151.11150	1.3
153.09064	0.8
153.12703	0.9
155.08553	2.3
157.10132	3.8
159.11668	13.9
161.09619	1.2
161.13237	6.2
163.06041	1.2
163.11163	5.2
163.14841	2.7
165.12733	2.0
167.08577	0.9
169.10117	1.9
171.11674	3.7
173.04457	2.6
173.11871	1.1
173.13254	7.2
175.11226	1.6
175.14824	1.8
177.12704	4.3
177.16376	0.9
179.14334	1.4
181.10001	0.7
183.11717	2.1
185.13264	2.2
187.11142	0.8
187.14769	3.0
189.11156	0.8
189.12711	0.7
189.16373	0.8
191.14279	1.0
193.12155	1.0
195.11794	1.2
195.13803	4.6
197.13220	1.8
199.14815	1.4
201.12784	0.8
201.16359	1.6
209.13318	0.6
211.14819	1.3
214.28508	0.6
215.14415	1.0
215.17894	1.2
219.13870	0.7
219.17480	1.0
223.15143	0.7
227.12791	2.2
229.14253	1.4
229.19545	1.4
231.17438	0.7
233.15541	0.6
233.22733	0.6
235.16864	0.8
239.18030	1.9
241.19760	0.7
243.12251	0.8
243.21085	4.2
245.72659	0.5
247.20497	1.7
251.16463	1.0
253.14261	1.0
253.17830	1.3
255.13506	1.1
255.15877	10.6
257.18979	5.9
259.20651	2.8
261.22095	11.1
267.15823	3.2
269.17429	35.5
275.20023	18.8
275.23038	1.1
276.20581	0.7
277.21707	1.6
283.18988	0.7
285.17053	0.6
291.19757	0.8
293.21140	2.3
299.23633	0.8
309.20459	2.6
317.24741	2.0
321.24081	0.7
331.22858	2.7
333.24225	1.8
335.25757	91.8
336.26221	1.9
337.27563	0.7
339.17987	1.1
349.23691	25.6
367.24780	4.9
405.26425	0.8
413.21860	2.8
419.32623	0.9
431.31946	0.6
437.34000	2.6
455.35190	1.4
473.35745	0.9
489.35785	2.1
493.28137	0.9
503.37097	0.9
504.82477	0.6
511.37769	1.1
515.37256	21.8
517.40601	1.1
527.37048	1.3
529.38818	100.0
530.39233	3.4
545.38361	0.9
547.39807	1.7
569.41888	9.9
591.43408	0.9
597.45135	0.8
609.45050	35.2
610.45520	1.0
627.46112	14.6
628.46490	0.6
633.39630	0.7
649.39044	1.4
651.45868	0.9
673.43329	2.9
735.48859	0.8
753.48932	1.0
771.50549	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	970.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07071	0.5
71.81155	0.3
81.07008	0.4
83.04948	0.2
85.06057	0.3
85.06531	4.9
91.05473	0.3
93.07017	0.2
95.08592	0.2
99.04449	2.6
105.07015	8.4
105.07726	0.4
107.08564	0.6
111.04434	4.3
117.06999	0.3
119.08559	1.1
121.10133	1.5
123.04391	0.2
125.05965	0.4
130.07777	0.2
131.08525	0.7
137.05931	0.2
139.07501	0.2
143.08571	0.2
145.10107	8.8
147.11687	1.6
149.05956	1.0
151.07509	0.4
155.08540	0.6
157.10101	0.4
159.08011	0.2
159.11682	0.3
163.11151	0.4
165.09073	0.3
169.04916	2.3
169.10126	0.3
171.07979	0.3
173.09596	3.0
175.11147	0.4
181.09929	0.2
182.10820	0.7
183.10152	1.0
185.80025	0.2
187.14784	0.2
189.09106	0.4
191.10652	18.6
192.10738	0.2
197.13232	3.0
199.14732	0.2
201.09090	9.2
202.09483	0.2
203.10698	0.6
203.14342	1.1
207.11685	0.3
209.11626	0.2
210.10405	0.3
211.11179	1.4
213.09132	0.2
215.14287	1.6
225.12752	1.5
227.10634	0.6
228.11385	0.3
229.12230	0.3
241.12198	0.7
243.13783	48.9
244.14151	0.7
245.15341	1.0
261.14850	3.2
271.13232	0.7
275.12677	0.3
285.14749	0.2
289.14316	9.8
290.14734	0.3
307.15421	2.5
327.19534	10.6
328.19934	0.4
329.21017	2.4
335.22055	0.3
345.20746	0.2
355.18921	0.3
370.46466	0.2
373.20062	31.3
374.20364	0.5
391.21112	100.0
392.21384	1.6
416.55844	0.2
436.26929	0.2
459.27359	0.2
578.77594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01115	0.5
67.05496	39.4
69.03419	5.4
69.06691	0.8
69.07056	14.5
71.01326	1.1
71.04994	5.4
71.80012	0.7
71.80371	0.7
73.02873	1.2
77.03925	0.8
79.05483	32.8
81.03407	54.7
81.07045	41.3
83.04971	9.2
83.08111	0.9
83.08607	18.8
85.02897	5.9
85.06538	2.4
91.03931	2.0
91.05469	29.5
93.07034	31.4
95.01283	0.7
95.04957	25.4
95.08005	1.1
95.08594	17.6
97.02887	5.4
97.06511	8.4
97.10160	9.6
99.04420	1.5
99.08067	2.3
103.05450	1.4
105.07016	25.2
107.04943	9.4
107.08579	20.6
107.09126	0.4
107.09323	0.7
109.02855	1.5
109.06513	6.5
109.10141	11.0
111.04437	1.9
111.08080	6.9
111.11757	0.6
115.05429	2.0
116.22983	0.6
117.07001	9.8
119.04915	1.7
119.07738	1.1
119.08566	19.0
119.09415	1.2
121.06518	4.9
121.10120	12.1
123.04414	1.7
123.08047	4.2
123.11688	2.9
125.09609	8.2
127.03945	2.9
128.06213	1.1
129.05478	0.8
129.06987	10.0
130.07707	0.7
131.04890	1.1
131.08548	19.7
133.06525	3.4
133.10118	14.5
135.08081	4.1
135.11679	11.1
137.05954	0.8
137.09621	4.1
139.11121	0.7
141.06979	1.6
142.07788	3.0
143.08528	5.2
143.10437	0.6
145.04924	0.6
145.06461	3.1
145.10106	9.9
147.04373	0.9
147.08038	4.4
147.10565	1.0
147.11670	10.8
149.09608	8.9
149.13239	5.9
151.04002	0.6
151.07430	0.9
151.11139	2.1
153.09076	0.7
154.07584	0.6
155.08559	2.9
157.06429	0.6
157.10106	9.4
159.08078	2.5
159.11678	6.8
161.06018	0.9
161.09592	1.6
161.13287	2.2
161.35583	0.5
163.03833	0.6
163.06039	1.3
163.11145	5.3
165.09154	0.9
165.12704	1.7
167.08559	1.1
169.10086	2.8
171.08070	0.8
171.10269	0.9
171.11693	3.5
173.04469	2.2
173.05904	0.9
173.09608	1.9
173.11732	1.6
173.13263	3.0
175.07555	0.8
175.11160	7.3
177.12711	3.3
179.14330	1.3
181.10155	1.3
181.12224	1.2
183.11685	2.5
185.09610	0.7
185.13187	2.7
187.11140	1.6
187.14882	0.8
189.05574	0.7
189.09128	0.9
189.11198	4.1
189.12704	1.1
191.10672	1.2
193.12218	16.2
195.11858	0.6
195.13802	2.2
197.13266	1.4
199.11282	0.7
199.13219	0.8
199.14920	1.3
201.12733	1.3
203.14268	0.8
205.12181	1.3
206.10951	0.6
209.11577	0.9
209.13350	0.7
211.11409	0.9
211.13121	2.7
215.14365	0.9
217.15929	1.5
223.13161	1.0
225.12811	0.8
227.12653	5.1
229.14258	4.5
231.13849	0.7
233.15248	0.8
235.13144	0.8
239.18056	1.5
245.13733	1.1
247.20563	1.0
249.14819	2.2
253.14308	1.0
255.15837	8.0
257.15164	0.7
257.18985	3.0
259.20444	0.8
267.15881	57.0
268.16147	0.8
269.17438	16.7
273.14835	1.6
273.18518	2.5
275.20059	11.1
283.15454	1.2
285.16898	1.5
291.19528	3.8
293.21115	1.4
301.14261	2.1
309.16904	1.6
313.21689	0.6
317.21109	0.7
319.15543	1.0
331.22626	1.3
333.17084	0.7
337.21762	0.7
341.24667	0.9
349.23718	11.5
349.73917	0.6
351.23074	1.4
355.22610	0.7
365.23242	2.0
367.24866	4.3
369.24069	3.5
375.17871	0.9
387.25363	1.7
403.24396	0.8
405.26050	0.6
411.19922	0.8
413.21490	0.8
417.26718	0.9
421.25800	5.2
429.26157	0.8
435.27328	2.4
437.29517	0.8
439.26682	1.0
443.27905	6.0
445.29407	0.8
447.27374	24.6
449.30347	2.2
459.27289	1.8
461.28949	100.0
462.29514	2.7
465.28467	0.7
466.46906	0.6
467.31287	2.1
475.30804	1.3
477.27777	1.3
479.29837	1.9
493.31619	12.2
501.31931	2.9
503.29846	2.8
511.28864	0.7
511.33044	0.7
519.33179	1.6
523.34180	3.4
527.30084	0.8
541.35211	43.2
542.35388	1.7
545.31018	1.0
555.29608	0.7
557.31189	1.1
559.36218	20.7
569.30719	3.2
573.37830	1.5
583.36011	2.1
587.31952	4.6
591.36713	0.8
601.37128	1.0
605.32947	2.4
609.35974	1.4
623.33209	0.8
649.37091	0.8
667.38147	2.9
685.39252	2.4
703.41266	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	968.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	100.0
68.05823	0.9
69.03421	16.0
69.07059	44.0
70.04200	0.8
71.01337	3.5
71.04982	8.2
73.02904	10.4
74.09760	0.8
77.03936	1.3
78.04726	1.1
79.05482	73.2
80.05830	1.5
80.06281	1.4
81.03407	38.6
81.07043	77.1
82.03790	0.8
82.04188	4.1
82.07353	1.4
83.01336	1.2
83.04535	0.6
83.04968	25.7
83.08606	21.7
85.02892	27.4
85.06520	5.9
87.04461	1.8
91.03947	8.3
91.05466	74.5
92.06274	1.4
93.07029	57.8
94.04181	1.3
94.07322	0.8
94.07864	1.1
95.01329	1.0
95.04954	38.3
95.08589	45.2
96.04472	1.1
96.05750	2.2
96.08945	0.9
97.02876	20.7
97.06512	26.6
97.10150	20.1
98.07298	7.6
99.04451	4.4
99.08067	4.4
101.02364	1.0
101.06021	1.5
103.05458	2.3
104.06281	0.9
105.04520	1.5
105.07014	49.0
107.04941	20.3
107.05656	1.3
107.08572	38.9
109.02875	3.9
109.06503	10.6
109.10140	52.3
110.10463	0.7
111.04424	4.6
111.08057	12.4
113.06039	1.7
113.09624	1.2
115.03934	1.3
115.05427	3.5
116.04698	10.3
116.06221	1.3
117.05624	0.9
117.07005	19.9
117.07782	1.4
119.04950	1.9
119.08563	36.9
120.09417	1.2
121.06480	8.8
121.10123	19.8
121.10950	1.3
122.07291	0.8
123.04455	2.7
123.08053	15.7
123.08881	1.3
123.11659	4.1
125.05980	1.4
125.09607	24.9
127.03909	6.9
127.07537	1.5
127.11221	2.1
128.06213	3.3
129.05460	30.8
129.06946	12.6
130.07780	2.7
131.04955	0.8
131.08553	24.7
132.09311	1.3
133.06468	4.5
133.10107	30.5
135.08034	9.2
135.11667	15.5
135.12610	0.9
136.08841	2.0
137.05972	0.8
137.09593	17.4
139.03923	1.0
139.07544	1.9
139.08644	0.8
139.11212	1.7
141.07011	1.9
142.07776	2.7
143.07016	5.7
143.08574	5.2
143.10686	2.6
144.09358	1.0
145.04953	3.1
145.06464	2.5
145.10104	19.7
145.11198	1.2
146.10939	1.4
147.08054	5.7
147.11661	17.8
149.09593	23.6
149.13222	3.8
151.07550	1.3
151.11153	5.5
153.09113	3.7
153.12694	1.2
155.08595	3.2
155.10690	3.1
157.08632	13.7
157.10152	12.6
158.05794	2.0
158.10820	0.8
159.06596	0.8
159.07924	1.3
159.10320	1.4
159.11644	13.6
161.09616	4.6
161.13248	5.8
163.06068	1.8
163.07469	0.9
163.11153	17.2
163.12436	1.1
163.14818	0.7
164.11935	1.5
165.09126	2.4
165.12784	3.1
167.10617	1.4
169.10063	3.3
169.12242	1.1
171.06540	4.0
171.10182	6.1
171.11708	4.7
173.04471	2.2
173.09639	3.1
173.11772	17.8
173.13274	4.8
175.11166	8.3
177.09145	1.0
177.12784	4.4
179.10698	1.1
179.14285	3.8
181.12254	3.6
183.11655	3.4
185.08119	1.6
185.11769	1.5
185.13295	2.2
187.11244	1.6
187.13274	1.8
187.14790	1.1
189.11256	9.2
189.12779	1.8
191.10696	2.5
191.14494	1.3
192.11504	1.1
193.12196	17.2
195.12001	0.9
195.13861	2.3
197.13295	1.8
199.09662	1.6
199.11470	1.1
199.13248	15.4
200.14128	3.0
201.12921	1.3
201.14807	1.6
203.10938	0.8
203.14368	1.3
205.12244	1.3
207.13980	1.2
209.11679	9.4
210.12529	2.7
211.13257	13.2
213.11229	1.3
213.14713	0.9
215.14482	1.0
217.14209	0.9
217.16010	0.8
223.13242	3.4
225.11258	1.5
227.12732	16.9
228.13429	1.1
229.14311	25.4
229.19408	1.7
233.15398	1.6
233.19131	0.8
239.17953	1.2
241.14352	1.7
243.15889	6.6
245.19099	1.6
247.20711	2.3
249.14960	1.3
253.14301	4.0
253.18169	1.5
255.15656	8.7
257.19098	5.3
261.15201	0.8
263.20163	2.1
265.14371	1.1
267.15884	16.9
269.17285	4.1
271.15411	0.7
273.18524	7.9
274.19211	1.2
275.20038	27.7
275.22968	1.5
279.15945	1.2
281.17123	1.0
283.15433	9.6
283.18851	1.3
284.16129	2.0
285.16943	9.8
291.19498	12.9
293.17792	0.8
293.20990	3.3
297.17096	1.5
299.15051	1.7
301.16409	68.2
302.16934	1.1
307.19058	0.9
309.20685	0.9
311.18979	1.0
326.24509	1.3
331.22699	1.0
347.22189	1.8
349.23682	32.2
353.23145	1.3
365.23187	6.0
367.25049	1.4
371.24426	1.4
373.18515	1.7
383.24078	3.8
397.22098	3.6
399.23883	1.1
409.26077	1.7
421.25974	2.4
423.27441	1.9
435.27921	1.6
437.25830	1.6
438.26193	1.5
439.26889	5.5
447.28183	0.8
455.26358	20.5
455.32678	1.1
456.26935	0.8
460.54294	0.8
461.29141	0.9
469.27823	5.2
473.32748	1.0
477.28479	1.0
479.29962	4.4
481.28125	3.2
485.28058	0.9
493.28436	1.3
494.29129	0.8
495.29736	2.1
503.33932	2.2
511.29044	2.2
519.33405	1.4
528.16724	0.9
541.35370	2.7
549.11255	0.7
557.34827	3.5
558.35620	2.1
559.36041	1.1
574.35083	1.0
575.35693	37.1
576.36383	2.1
591.35486	2.0
593.36774	9.6
609.35876	3.3
644.39990	1.2
672.34448	0.9
735.97949	0.8
806.45355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	31.1
69.03411	4.9
69.07053	15.4
71.01297	0.8
71.04982	3.0
71.08615	19.7
71.79750	0.8
72.54897	0.4
73.02869	1.9
77.86005	0.4
79.05476	20.3
81.02970	0.5
81.03401	7.9
81.07039	45.2
82.16630	0.4
83.04543	0.4
83.04967	5.8
83.08603	13.8
85.02887	8.6
85.06519	2.0
85.10163	11.4
87.04417	0.8
89.05990	0.8
90.72015	0.4
91.03940	3.9
91.05462	18.6
93.07022	26.7
94.07354	0.4
95.04948	5.7
95.08586	28.1
97.02357	0.6
97.02867	6.6
97.05900	0.4
97.06510	6.7
97.10145	6.1
99.04394	1.7
99.08077	2.3
99.11698	0.8
101.02327	0.5
103.05403	1.0
103.07524	1.1
105.04475	0.5
105.07008	13.7
107.04378	0.4
107.04935	3.8
107.08574	18.5
107.94827	0.4
109.02828	1.9
109.06512	2.7
109.09438	0.7
109.10133	11.4
111.04391	1.0
111.08087	3.3
113.05958	0.4
113.09564	0.5
115.05397	0.7
117.06996	7.1
119.07772	0.6
119.08560	9.7
121.06451	2.5
121.09284	0.6
121.10115	8.6
123.08070	1.9
123.11673	4.9
125.09573	1.7
127.03881	3.5
127.07518	0.4
129.05400	1.3
129.06949	2.4
130.07715	0.5
131.08536	7.8
133.06409	1.2
133.10104	10.4
135.08009	2.0
135.11662	9.7
137.05894	0.5
137.09515	1.5
137.13159	1.1
139.11147	0.9
141.07010	0.8
143.08499	2.0
145.04900	2.4
145.06393	0.8
145.09164	0.5
145.10104	6.2
147.08078	0.6
147.11659	4.5
149.09607	6.0
149.13219	9.1
151.11115	1.4
153.08980	0.5
155.08475	1.2
157.10065	1.8
159.07945	0.6
159.11664	6.9
159.13600	0.4
161.09602	0.8
161.13228	1.9
163.05962	1.4
163.11124	4.1
165.12724	0.6
169.10107	1.1
171.11600	1.6
173.04407	2.5
173.09560	0.6
173.11867	0.5
173.13258	2.3
175.11113	0.7
177.12726	3.0
177.66183	0.4
179.14278	1.1
181.12167	1.0
183.11578	0.8
184.07262	0.7
185.13126	0.7
187.14766	0.6
189.11136	0.9
189.12733	0.7
189.16428	0.4
191.14264	0.7
193.12128	0.7
195.13728	3.4
197.13182	1.0
201.12775	0.7
213.14709	0.8
217.15862	0.5
227.12764	1.9
229.19446	1.4
239.17897	1.4
239.23598	2.6
243.12253	0.6
247.20581	1.2
251.16414	1.6
253.14336	1.4
255.15858	13.4
257.18979	4.1
257.24683	1.2
261.14804	0.5
267.15927	1.5
269.17432	37.5
270.17728	0.7
275.20004	14.9
293.17535	0.9
293.21008	1.9
309.20544	0.8
313.27298	77.5
314.27753	2.2
321.24002	0.5
331.22635	1.5
333.24167	0.5
339.18060	1.8
341.26630	0.5
349.23657	19.2
350.24081	0.5
367.24661	4.4
395.20676	0.8
411.24826	0.4
413.21738	3.5
419.24216	0.5
467.37207	1.3
483.36484	0.5
491.40509	0.6
493.38788	19.9
494.39063	0.8
507.40359	100.0
508.40765	4.7
511.28894	0.7
523.39520	0.6
531.40668	0.6
547.43585	2.0
587.46606	29.1
588.47101	1.2
605.38391	0.7
605.47681	10.2
615.42291	0.5
627.40656	1.0
629.47198	0.7
651.44727	2.7
731.50494	0.9
749.51801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	55.0
69.03419	2.4
69.07063	15.3
70.03458	2.5
70.64467	0.5
71.04980	1.7
73.02911	4.2
77.03909	1.0
79.05486	35.3
81.03419	1.4
81.07049	57.7
82.07387	0.7
83.04972	1.4
83.08614	7.3
85.02898	15.9
85.06527	1.9
91.03946	9.4
91.05468	21.2
93.07036	42.2
95.04971	4.0
95.08598	46.8
96.04489	0.6
97.02887	9.0
97.06534	2.3
97.10165	3.5
98.20664	0.7
99.04465	1.0
99.08064	0.9
103.05402	0.6
105.07022	19.1
107.08584	23.4
109.02863	0.7
109.06523	1.6
109.09394	1.2
109.10146	21.4
111.08064	1.5
115.03881	0.8
115.05389	0.9
116.06126	0.5
117.07015	6.9
119.08574	15.4
119.42898	0.5
121.10138	20.8
123.08109	1.1
123.11703	8.1
125.09594	1.3
127.03909	4.5
129.06984	1.7
131.08551	12.5
133.10121	12.8
135.08060	0.4
135.10611	0.8
135.11671	15.0
135.12643	1.0
137.09647	0.8
137.13266	3.4
139.11255	0.6
143.08557	2.2
145.04962	6.6
145.10110	10.0
147.11670	11.2
149.09605	0.8
149.13243	10.1
151.11230	0.8
151.14842	0.9
152.02406	0.5
155.08496	0.7
157.10103	2.8
159.11676	9.3
161.12057	0.9
161.13251	8.7
162.07732	0.5
163.06021	8.7
163.11217	0.8
163.14832	5.1
165.12733	0.8
169.10017	0.6
171.11710	2.8
173.13264	8.4
175.14832	4.9
177.12781	1.0
177.16367	1.9
179.14330	0.7
183.11650	0.9
185.13225	2.1
187.14841	4.3
189.16350	1.5
197.13297	0.7
199.14819	2.4
201.16348	1.4
203.17903	0.7
211.14656	0.5
213.16350	1.0
215.17973	1.5
217.19522	0.9
231.21040	1.0
233.22581	0.6
241.19588	4.9
243.21069	5.3
245.22536	1.2
247.20625	0.6
252.87836	0.5
257.18994	1.1
259.20541	10.5
261.22113	19.4
263.23734	2.8
277.21744	0.8
279.22891	1.0
287.23474	0.7
289.25558	0.7
299.23669	1.0
300.64056	0.5
313.25491	0.7
315.23178	1.4
315.26730	0.7
317.24786	3.5
319.25980	0.6
333.24237	10.9
335.25778	100.0
336.26221	3.0
337.27365	15.6
339.29395	0.5
341.28485	0.6
353.26941	1.0
355.29926	0.6
403.01837	0.5
489.35437	0.8
503.36804	1.0
517.38983	1.2
521.43683	2.9
529.38898	0.7
531.40570	1.0
539.44385	1.1
543.40326	1.6
545.42236	0.6
595.47198	18.1
596.47302	1.2
613.48218	30.8
614.48328	1.2
699.35559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
67.08460	0.8
68.05807	0.8
69.03420	16.2
69.07055	49.6
71.01338	1.5
71.04987	10.0
71.08593	1.3
71.19140	1.6
71.19505	1.7
73.02907	6.3
77.03922	1.2
78.04668	0.8
79.05477	74.1
80.05819	0.8
80.06260	1.1
81.03403	77.6
81.07041	88.1
82.03730	1.2
82.04199	1.3
83.04965	29.7
83.08604	33.7
84.02071	0.8
85.02888	40.2
85.06528	7.0
86.09677	0.8
87.04465	1.7
91.03954	9.7
91.05460	91.3
92.05767	1.1
93.07027	69.1
94.04173	1.3
95.01279	1.0
95.04319	1.6
95.04949	45.4
95.08586	47.4
96.04491	1.5
97.02873	18.6
97.06514	24.1
97.10150	12.5
99.04430	4.2
99.08082	5.1
103.03966	1.4
103.05474	1.5
105.03403	1.1
105.04508	2.4
105.07005	64.6
107.04932	20.3
107.07829	1.1
107.08574	35.9
109.02848	5.2
109.06501	13.3
109.10136	37.3
111.04407	5.4
111.08055	18.0
113.06004	3.6
113.09651	1.7
115.03899	0.9
115.05351	4.5
116.04677	2.7
116.06194	1.1
117.06992	17.9
119.04926	1.9
119.08561	49.1
120.05773	0.8
121.06499	8.0
121.10123	23.3
122.66048	0.8
123.04435	1.7
123.08051	11.7
123.11690	6.7
125.05994	1.8
125.09613	13.0
127.03896	6.4
127.07552	1.8
128.06157	1.9
129.05495	7.1
129.06975	19.3
130.07767	1.7
131.08546	32.0
133.06458	6.2
133.10107	42.5
135.08017	7.0
135.11670	15.3
137.09578	16.5
137.13260	1.1
139.07523	1.6
139.11153	1.3
141.06995	2.3
141.09154	1.0
142.07721	5.1
143.07071	1.4
143.08542	5.1
145.04956	3.9
145.06441	2.2
145.10091	20.6
147.08031	7.4
147.11656	31.1
148.08781	0.9
149.09587	28.4
149.13251	6.3
151.07556	0.9
151.11159	5.3
153.06880	0.9
153.09053	2.2
153.12743	1.2
155.08536	3.7
155.10641	2.8
157.08632	3.2
157.10089	22.3
159.08025	1.2
159.11664	12.3
161.09601	3.8
161.13219	6.1
163.06024	1.7
163.11153	12.4
165.09076	2.0
165.12726	6.5
167.10608	1.1
169.10098	3.9
171.10187	2.0
171.11667	4.5
173.04439	2.3
173.09564	2.3
173.11720	10.4
173.13251	6.0
175.11150	22.8
175.14740	0.8
177.12758	3.3
179.14279	3.5
181.12274	2.0
182.01550	0.8
183.11649	2.3
185.13222	1.9
187.11165	2.5
187.13310	1.0
187.14835	1.9
189.11188	5.3
189.12683	1.7
191.10600	1.3
193.12206	66.0
195.11876	1.0
195.13756	3.8
197.13313	2.7
199.11299	1.3
199.13251	3.4
201.12793	1.3
203.10535	1.1
203.14301	0.9
205.12173	1.9
209.11736	1.5
211.13248	77.2
212.13608	1.5
213.12830	1.2
213.14659	1.2
213.16449	1.4
215.14429	1.0
223.13202	3.0
227.12729	8.4
229.14296	13.8
229.19513	2.1
233.15327	1.4
239.17879	2.1
243.15871	5.5
245.13573	1.3
245.18976	1.6
247.20567	2.0
249.14842	1.6
253.14349	3.0
253.18144	1.2
255.15755	7.3
257.18936	6.6
258.59396	0.8
267.15854	41.7
268.16400	1.1
269.17410	10.5
273.18420	5.7
274.19226	0.9
275.20023	30.6
275.23026	1.7
276.20340	1.1
283.15283	3.4
285.16916	66.5
286.17175	1.4
291.19464	9.2
293.21164	4.3
299.14886	1.0
301.16431	13.4
321.24307	1.5
329.20963	1.4
331.22577	0.9
347.22171	2.4
349.23660	41.4
350.23788	1.1
363.21808	2.0
365.23154	5.6
367.24658	1.6
373.18567	1.5
381.22736	6.1
383.24298	1.3
411.27448	1.1
421.25830	11.4
423.27670	4.9
435.27417	2.9
437.29459	0.9
439.26837	41.6
440.26822	1.5
447.27463	3.6
453.28497	7.0
455.26126	1.0
460.27835	1.0
461.28879	3.0
463.30923	4.6
465.28131	4.5
477.28329	4.4
479.30145	4.6
481.27780	4.2
495.29553	10.3
507.29639	2.0
523.34058	1.4
541.35217	23.7
542.35938	1.2
557.34637	5.2
558.35919	1.2
559.36237	50.1
560.36670	1.3
575.35431	8.1
577.37415	9.2
583.31128	2.4
593.36957	2.0
623.33893	1.4
743.00104	0.9
967.02771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	85.3
69.03423	18.4
69.07055	32.1
69.86128	1.4
70.06573	1.4
71.01341	2.6
71.04986	10.9
71.08604	2.1
71.79949	2.2
73.02912	12.6
78.04728	1.4
79.05478	83.0
80.06259	1.7
81.03403	37.4
81.07042	98.3
82.04164	6.8
83.04965	25.8
83.08607	22.8
84.02112	1.5
84.05744	2.1
84.41016	1.2
85.02386	2.7
85.02887	34.6
85.06531	7.5
86.09694	2.0
87.03942	1.1
87.04433	2.4
91.03939	14.4
91.05466	89.5
93.07028	79.2
94.04160	1.8
95.04953	33.4
95.08589	43.8
96.04488	1.4
96.05759	1.9
97.02867	24.3
97.06506	18.6
97.10154	22.2
98.07304	8.6
99.04451	5.3
99.08071	6.9
101.02369	1.6
101.06045	2.1
103.03955	1.6
103.05466	3.5
104.06239	1.4
105.04530	2.5
105.07011	73.4
107.04937	14.1
107.08575	49.7
109.02871	4.1
109.06500	10.1
109.10133	27.4
111.04423	4.3
111.08051	12.9
113.05996	1.6
113.09651	1.7
115.03892	2.0
115.05420	4.5
116.04678	14.7
117.05475	2.2
117.06997	30.1
119.08557	58.2
120.05801	1.2
120.09373	2.0
121.06512	6.6
121.10125	27.9
123.04409	2.2
123.08039	13.8
123.11673	6.7
125.09612	22.0
127.03869	9.3
127.11182	2.1
128.06203	3.5
129.05467	42.9
129.06947	18.8
130.07719	2.2
131.08543	37.8
133.06456	3.3
133.10106	55.7
135.04376	1.9
135.08049	9.5
135.11682	21.3
136.08823	1.6
137.09592	8.1
139.07529	1.6
139.11168	1.7
141.06973	3.5
142.07741	3.5
143.07024	8.5
143.08533	11.4
143.10619	2.1
145.04942	9.0
145.06487	2.4
145.10098	30.3
147.04411	1.8
147.08040	5.0
147.11659	37.2
149.09598	14.5
149.13239	21.5
151.11163	4.9
153.09071	4.0
155.08524	4.4
157.06519	1.5
157.08598	17.5
157.10109	15.5
159.08032	1.3
159.11644	21.9
160.12386	1.3
161.05968	1.7
161.09608	3.8
161.13219	20.1
163.05991	4.3
163.11153	14.0
163.14792	2.2
165.12740	5.2
167.08376	1.4
169.10109	3.9
171.06555	2.1
171.10149	5.8
171.11667	12.0
173.04463	2.5
173.09573	2.7
173.11719	4.3
173.13252	13.2
175.11151	9.7
175.14760	7.3
177.12718	4.6
179.10683	1.6
179.14270	1.9
181.10091	2.6
181.12192	2.0
183.11707	3.5
185.11847	1.7
185.13248	8.2
187.11116	1.6
187.13191	1.6
187.14767	4.3
189.11198	11.3
189.12694	2.5
191.14272	2.6
193.10466	2.4
193.12186	14.3
195.11804	2.6
195.13757	6.9
197.13260	3.6
199.09575	1.6
199.11404	2.3
199.13264	9.7
199.14880	4.3
200.14099	3.3
201.12718	1.7
201.14728	1.2
201.16486	2.0
203.14323	1.7
207.10069	1.4
207.13744	1.7
209.11722	4.5
210.12489	2.0
211.13278	9.7
211.14775	2.0
213.14664	1.7
213.16502	1.7
215.14365	1.7
217.14211	2.0
217.16016	1.8
227.12733	12.8
229.14191	5.8
229.19537	2.2
231.20979	2.6
239.17996	2.8
241.19498	14.3
243.12132	1.5
245.13802	1.7
247.20531	1.6
255.15906	3.4
257.18954	11.4
259.20544	35.9
267.15787	12.2
268.16336	1.5
269.17407	30.4
273.18445	1.8
275.17154	2.2
275.20053	30.0
276.20370	1.9
283.15417	8.3
284.16068	1.7
285.16989	6.2
291.19327	2.4
293.21103	4.7
299.14639	2.1
301.16418	100.0
307.19260	1.3
313.21689	3.5
315.23059	2.3
316.42285	1.3
331.22610	3.3
333.24249	23.9
334.24500	1.6
349.23734	15.4
351.25262	1.9
367.24677	1.5
423.27313	4.2
431.28961	2.9
449.29495	2.7
451.32248	1.7
454.21872	1.3
461.28897	3.6
463.30426	2.7
477.28198	3.5
478.28998	3.2
479.29556	2.8
485.31546	1.4
495.29041	29.6
507.29474	1.6
517.35431	3.0
525.35809	10.6
541.35211	6.9
542.35608	3.8
543.36499	7.3
559.36346	15.3
575.35535	7.1
577.37347	8.4
593.36572	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	952.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	94.4
68.05847	1.3
69.03415	15.8
69.07057	32.1
71.01350	2.3
71.04984	10.4
71.08599	1.2
71.80678	1.3
71.81077	1.0
73.02900	12.5
73.06528	1.6
74.09710	1.1
75.83255	0.8
77.03880	1.2
79.05477	91.2
80.05804	1.8
80.06248	1.7
81.03400	38.1
81.07040	94.9
82.03754	1.3
82.04163	5.7
82.07375	2.0
83.01342	1.6
83.04959	24.5
83.08601	23.0
84.02081	1.2
84.05754	1.3
85.02377	1.6
85.02889	31.7
85.06513	7.2
87.04444	1.1
91.03948	14.1
91.05462	100.0
92.05753	2.3
93.03415	1.1
93.07026	91.5
93.15847	0.9
94.07366	1.3
95.04952	33.3
95.08588	46.1
96.04468	1.3
97.02875	21.4
97.03466	1.7
97.06517	22.8
97.10144	22.3
98.07312	7.1
98.09653	1.0
99.04455	4.8
99.08064	5.9
101.02339	1.1
103.03932	2.1
103.05463	3.6
104.06253	0.9
105.04504	2.5
105.07010	89.0
106.07303	1.3
106.07913	1.1
107.04941	13.9
107.08570	52.5
109.02866	4.1
109.06504	11.2
109.10136	30.6
111.04417	4.7
111.08057	14.2
113.05981	2.2
113.09656	1.9
115.03946	1.9
115.05460	4.3
116.04694	12.0
116.06165	1.0
117.06991	35.7
118.07768	1.1
119.04927	2.0
119.08557	66.3
120.09404	1.1
121.06482	8.6
121.10122	33.0
123.04422	2.0
123.08049	12.8
123.11696	5.0
125.05999	2.4
125.09606	21.2
125.37504	0.9
127.03873	9.7
127.07494	1.2
127.11164	2.3
128.06209	2.6
129.05467	38.8
129.06947	22.6
130.07698	1.2
131.04889	1.5
131.08542	43.8
133.06477	4.2
133.10107	61.0
134.10599	1.4
135.08054	9.2
135.11668	23.4
137.09634	7.4
137.13234	1.0
139.03877	1.6
139.07503	1.6
139.11154	2.4
141.06984	3.9
142.07779	3.3
143.07011	8.4
143.08539	12.7
143.10588	2.0
144.09253	1.7
145.04929	9.4
145.06439	2.7
145.10098	32.1
146.10870	1.3
147.08028	6.6
147.11658	41.1
149.09586	17.9
149.13222	17.6
151.11110	5.4
153.09105	2.8
153.12744	1.1
155.08546	4.5
157.08597	15.4
157.10107	16.8
157.91670	1.0
159.07997	2.5
159.11674	28.3
161.09595	4.0
161.13240	17.6
163.05995	4.5
163.11145	12.1
163.14789	2.6
165.12769	4.2
167.08568	1.0
169.10097	4.3
171.06502	3.2
171.10152	5.0
171.11687	13.9
173.04359	2.0
173.09595	3.0
173.11711	5.3
173.13254	12.8
175.11183	9.7
175.14775	7.0
177.12697	6.2
179.14323	2.6
181.10092	1.1
181.12251	2.7
183.11633	4.6
185.11746	1.8
185.13235	10.6
187.11200	2.3
187.14819	3.0
189.11194	10.0
189.12727	2.4
189.16396	1.3
191.10698	2.9
191.14256	2.0
192.11273	1.5
193.12202	15.1
195.11859	1.9
195.13794	7.5
197.13216	4.6
199.13269	8.9
199.14861	5.0
200.14096	2.2
201.12761	2.1
201.14694	2.3
201.16423	2.3
203.14310	1.8
205.12415	1.4
207.13857	1.3
209.11652	4.7
210.12485	1.6
211.13153	9.9
211.14880	2.1
213.14639	1.4
213.16405	3.0
215.17824	1.7
217.15884	3.2
219.17392	1.0
225.11075	1.1
227.12740	14.6
229.14243	6.6
229.19449	2.5
231.17419	1.6
231.21097	2.8
233.15416	1.7
239.17973	4.0
241.19510	14.9
243.12187	1.5
247.20580	2.5
255.15898	3.0
257.18945	9.3
259.20532	42.5
261.21924	1.5
265.14539	1.7
267.15842	17.1
268.16266	3.0
269.17453	25.7
273.18536	3.3
275.20023	32.4
276.20490	1.4
277.21509	1.9
283.15192	6.3
284.16296	1.4
285.16785	7.1
286.22592	1.1
291.19641	1.3
293.21017	1.4
299.15005	1.6
301.16406	56.3
302.16608	1.2
302.30380	1.1
303.23227	1.4
305.80334	1.0
313.21512	2.5
315.23041	2.6
323.18600	1.4
331.22733	3.0
333.24185	26.6
339.17767	1.4
349.23663	19.2
350.23895	1.5
351.24689	1.3
393.26395	1.9
403.24753	1.3
411.27551	1.5
423.27686	5.6
431.29388	1.0
433.31213	1.7
449.29736	2.1
461.28699	5.2
463.30557	2.0
477.28680	3.1
478.29062	1.7
479.29669	1.7
495.29224	24.7
525.35535	8.4
541.35095	9.3
542.35760	10.4
543.36194	13.3
559.36102	18.1
560.35986	1.3
575.35364	8.5
577.37244	8.7
685.39484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.1
71.78731	0.2
81.03391	0.1
81.07052	0.1
83.04955	0.1
86.09715	0.1
91.05494	0.1
93.07050	0.1
95.08607	0.1
105.07001	0.3
107.08553	0.1
118.36629	0.1
118.76976	0.1
119.08616	0.1
123.04193	0.3
123.08022	0.1
124.13329	0.1
125.09499	0.1
133.10069	0.1
135.04099	0.1
139.03951	0.1
145.10057	0.2
147.11705	0.1
147.49715	0.1
151.07466	0.1
175.07321	0.3
179.06783	0.1
180.07492	0.6
184.07321	0.1
187.10945	0.2
188.11725	0.3
202.09822	0.1
204.07602	0.3
206.05472	0.3
207.06256	2.1
215.10518	0.2
217.08342	0.3
226.09691	0.1
226.13379	0.1
227.14130	0.2
229.12187	0.1
229.21141	0.1
231.09933	0.3
232.10710	0.2
233.11458	0.3
243.13625	0.3
244.14363	0.3
245.15152	0.4
245.46141	0.1
249.14561	1.5
257.15274	0.1
259.09418	0.2
270.12344	0.2
271.12970	0.5
277.10229	0.5
281.11542	0.1
283.12991	1.5
284.13766	1.0
285.14413	0.7
288.13303	0.5
289.14087	0.3
296.13809	1.4
297.14450	0.4
299.12683	0.2
301.14029	0.9
304.12845	0.6
311.12515	0.3
311.16232	0.1
311.19736	0.2
313.21399	0.7
315.12003	0.5
327.19290	0.1
336.16919	0.3
337.17624	0.7
339.15613	0.2
353.17261	0.4
354.17963	8.5
355.18744	8.4
356.19336	0.1
357.20267	1.2
371.18304	0.3
372.18927	1.0
373.19836	0.7
379.20102	0.2
386.17188	0.2
386.97528	0.1
395.20395	0.1
399.17719	4.9
415.17386	0.2
416.17972	0.4
417.18738	0.7
423.25098	1.5
441.26077	10.6
467.23474	0.2
485.25034	100.0
486.25375	2.2
492.87744	0.1
739.65240	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	947.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01836	0.2
67.05495	4.2
68.99777	1.7
69.03419	1.0
69.07063	1.7
71.04992	0.8
71.24174	0.7
71.87539	0.2
77.03929	0.3
78.03880	0.2
79.05482	4.6
81.03405	8.7
81.07047	5.1
82.09587	0.2
82.66952	0.2
83.04967	2.5
83.08607	3.1
85.02898	3.2
85.06547	0.3
91.05467	5.6
91.06033	0.3
93.03408	1.0
93.07030	3.3
95.04953	4.4
95.08595	2.1
97.02883	1.3
97.06504	0.9
97.10159	1.0
99.08084	0.3
99.12098	0.2
103.05459	0.6
105.07014	3.3
107.04953	1.9
107.08582	1.6
109.02873	0.3
109.06518	0.7
109.10123	1.1
111.00758	0.3
111.04430	5.4
111.08049	1.4
113.06013	0.3
113.54240	0.2
115.05443	0.9
117.07016	1.0
118.46020	0.2
119.04939	0.5
119.08556	2.8
121.02885	1.0
121.06499	0.6
121.10123	1.6
123.04427	4.1
123.08068	0.5
123.11768	0.3
125.09632	0.6
127.03925	1.2
128.06233	0.3
129.06979	1.8
131.04933	0.9
131.08546	1.8
133.06465	0.9
133.10130	1.8
135.04373	1.7
135.11620	0.4
137.02284	0.4
137.05960	0.8
137.09583	0.4
139.03880	100.0
140.04144	1.1
141.05466	0.6
141.06992	0.8
142.07770	0.7
143.04912	0.4
143.08539	0.4
145.06473	0.9
145.10110	0.5
146.47849	0.2
147.04359	1.2
147.08069	0.6
147.11658	2.6
149.05959	2.1
149.09576	1.0
151.02678	0.4
151.03891	6.5
151.11118	0.4
152.04068	0.3
153.05432	1.4
153.06953	1.0
155.04900	0.3
155.08534	0.6
157.06493	0.9
157.10101	2.4
159.04376	0.5
159.08012	0.3
160.05144	0.3
161.05951	4.3
163.03882	39.3
163.07553	1.1
164.04245	0.7
165.05475	1.3
165.06865	0.5
165.12717	0.8
167.08525	0.8
169.06496	0.9
171.07973	0.4
173.05962	9.0
174.06442	0.3
175.03848	1.3
175.07465	1.4
175.11160	1.5
176.04552	0.3
177.05443	4.7
179.03378	0.9
179.06995	0.5
179.08499	0.3
181.04930	4.5
181.06465	1.8
183.08032	1.0
184.07314	0.4
185.05998	0.8
187.03917	2.1
187.07501	5.6
189.05452	2.0
189.06880	0.3
189.08920	0.3
191.03337	0.5
191.06952	0.6
193.05009	0.3
193.06538	0.4
193.12227	6.4
195.08012	1.3
197.06053	1.3
198.06784	0.3
199.07516	4.4
200.04776	0.4
201.05428	2.7
201.09108	1.9
203.07043	0.8
205.04929	8.8
205.12195	0.3
206.05090	0.3
207.08069	0.3
209.06012	0.5
209.09605	0.5
210.06734	0.5
211.07538	3.2
211.11414	0.3
211.13264	9.3
213.05495	1.9
213.09021	2.2
214.06244	0.3
215.07040	1.5
217.04910	1.2
223.07552	1.6
225.05408	0.4
225.08987	1.4
226.06235	0.4
227.06940	1.7
227.10562	0.5
229.04918	1.6
229.08546	0.4
235.05763	1.2
237.09004	0.8
239.06953	0.7
241.08691	0.3
247.05894	2.1
250.09885	0.3
251.06898	0.5
251.10699	0.3
251.14223	0.5
253.12234	0.3
255.13625	0.4
265.06842	1.2
267.13699	0.3
267.15924	4.6
269.12256	0.3
269.15372	0.7
271.05704	0.3
275.06970	0.4
279.13754	0.5
281.15186	0.6
283.08228	4.7
283.15393	0.7
285.07513	0.3
285.16974	12.9
286.17294	0.3
287.16321	0.6
291.13962	0.3
293.07947	0.4
293.15161	0.4
295.06042	1.5
295.13348	0.4
297.07431	0.5
297.14807	1.2
299.16287	0.5
301.09149	8.7
301.12836	0.4
301.14413	0.6
303.06400	0.5
305.07898	0.5
307.08496	0.3
308.06729	0.9
309.07513	0.8
309.14868	0.8
311.16431	0.3
313.06921	0.6
313.14249	0.6
315.15863	5.2
316.16116	0.3
317.07959	0.7
319.06058	0.4
319.09579	0.3
321.07468	0.9
321.14767	0.6
322.08359	0.3
323.08942	0.5
323.16397	0.6
325.14383	0.9
327.15872	2.2
331.15298	0.4
335.08890	1.2
335.16214	0.3
339.15845	3.2
341.17368	0.7
355.15518	0.3
357.16898	0.3
359.18539	1.4
363.15741	0.3
371.18530	0.5
375.18167	0.3
383.18149	0.5
387.18201	0.5
389.16003	0.2
389.19635	2.4
393.16891	0.3
395.18335	0.5
399.17853	0.6
401.19574	1.1
413.19156	1.2
419.20361	0.4
420.88669	0.3
421.16449	3.5
429.16806	0.5
431.19492	0.3
445.17139	0.3
447.17996	5.2
459.25012	0.4
465.19067	3.1
471.17905	0.6
485.19653	0.4
489.26059	0.4
495.19604	0.7
501.26416	0.4
503.20612	0.6
513.19464	0.5
513.26611	0.3
521.21606	1.1
531.27252	0.4
539.22852	2.0
551.29620	0.7
563.29834	0.6
567.28961	0.4
569.31104	1.3
579.29303	0.6
581.31152	2.7
587.29810	0.6
593.31018	1.8
599.32220	3.0
605.31616	1.3
611.32007	3.1
615.31396	0.3
621.28131	0.3
623.32416	1.4
627.31262	1.2
629.32648	0.7
639.29144	0.5
641.32782	0.8
657.29321	0.3
669.30072	0.4
687.30573	0.9
705.32452	2.0
713.32898	1.5
723.33868	1.2
729.31720	0.3
731.22516	0.3
731.34033	3.7
749.35339	4.7
767.36438	1.7
773.34912	0.6
797.35114	0.4
821.35114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01836	0.4
67.05493	5.7
68.99776	1.6
69.03407	1.3
69.07050	1.4
71.04983	1.1
71.80112	0.4
73.02917	0.2
79.05481	5.6
81.03405	9.2
81.07042	5.7
83.04971	3.3
83.08602	2.9
83.47799	0.2
85.02885	4.0
85.06530	0.4
91.03940	0.4
91.05463	5.9
91.36131	0.2
93.03382	0.9
93.07027	3.7
95.04959	4.7
95.08591	2.6
97.02876	1.2
97.06519	1.0
97.10146	1.1
99.04443	0.5
99.08085	0.3
100.11266	0.4
103.05438	0.4
105.07017	3.8
107.04955	1.9
107.08582	1.9
109.02839	0.3
109.06499	0.9
109.10100	1.2
111.04434	5.1
111.08057	1.3
113.06014	0.3
115.05448	1.1
117.07013	0.9
119.04895	0.5
119.08549	3.2
121.02854	1.1
121.06479	0.6
121.10109	1.2
123.04414	4.2
123.08021	0.6
123.11679	0.5
125.09621	0.7
127.03901	1.2
128.06219	0.6
129.06999	1.9
131.04889	1.2
131.08548	2.4
133.06470	0.5
133.10124	1.7
135.04398	1.9
135.08046	0.2
135.11729	0.3
135.69136	0.2
137.05957	1.3
137.09605	0.5
139.03882	100.0
140.04213	0.6
141.05457	0.6
141.06947	0.9
142.07776	0.7
143.04922	0.3
143.08569	0.4
145.06461	1.1
145.10127	0.5
147.04395	1.0
147.08003	0.6
147.11664	2.2
149.05948	2.5
149.09616	1.0
151.03883	6.4
151.05077	0.5
151.07440	0.3
153.01860	0.3
153.05469	1.4
153.06946	1.0
155.08575	0.5
157.06425	0.8
157.10094	2.2
159.04335	0.5
159.07982	0.5
161.05963	5.1
163.03885	39.7
163.07567	0.8
163.11208	0.6
164.04283	0.3
165.05460	2.1
165.06894	0.5
165.12788	0.4
167.08580	0.6
169.06488	1.1
171.08032	0.7
173.05956	11.9
175.03912	1.5
175.07497	1.8
175.11186	1.9
177.05457	4.7
179.03400	1.1
179.07013	0.5
179.08455	0.6
181.04919	3.6
181.06474	1.9
183.07980	0.6
185.05948	1.0
187.03906	2.4
187.07516	6.3
189.05443	2.7
189.09221	0.4
189.11137	0.3
191.03302	0.8
191.06943	0.8
192.45837	0.3
193.04968	0.5
193.10338	0.4
193.12204	7.6
195.08057	1.2
197.05946	1.9
197.09563	0.3
198.06709	0.5
199.07518	5.1
200.04770	0.5
200.08160	0.3
201.05437	3.1
201.09103	1.7
203.06978	0.7
205.04938	9.4
209.05991	0.4
210.06744	0.6
211.07532	3.0
211.11229	0.5
211.13266	10.4
212.08156	0.4
213.05458	1.9
213.09053	2.8
215.06964	1.1
215.10594	0.3
217.04924	1.1
217.08484	0.4
219.08107	0.3
219.80591	0.3
223.07445	1.6
225.05409	0.6
225.09081	1.2
226.06293	0.4
227.06985	1.4
227.10516	0.6
227.12788	0.6
229.04959	2.7
229.08440	0.4
235.05780	1.3
235.11021	0.3
237.05463	0.3
237.09047	0.7
239.06999	0.8
239.10410	0.5
241.04909	0.4
241.08647	0.4
241.12000	0.4
243.06366	0.3
245.09593	0.3
247.05775	2.1
249.09026	0.4
251.06943	0.5
251.10777	0.5
251.14331	0.4
253.05084	0.4
255.06546	0.4
255.13829	0.3
263.07053	0.3
265.06918	0.7
267.06589	0.4
267.13733	0.6
267.15982	5.8
269.15204	0.5
269.17691	0.4
271.05957	0.4
273.14856	0.3
279.13773	0.4
281.08093	0.4
281.15265	0.6
283.05466	0.6
283.08356	3.3
283.15561	0.4
285.07703	0.3
285.17004	15.1
287.13116	0.3
287.16324	0.6
289.14398	0.5
293.15338	0.5
295.06021	2.1
297.07385	0.4
297.14816	1.3
299.16391	0.6
301.05795	0.4
301.09137	7.9
301.14343	0.4
303.06613	0.5
303.15930	0.3
305.08047	0.4
308.06839	1.2
309.07419	1.0
309.14792	0.7
311.16437	0.4
313.06973	1.3
313.14474	0.7
315.15872	4.5
319.06076	0.3
321.07584	1.2
321.14728	0.8
322.08301	0.4
323.09149	0.6
323.16309	0.8
325.14310	1.1
327.15927	2.9
331.15286	0.5
333.16980	0.4
335.09064	1.0
335.16162	0.3
337.18033	0.3
339.15936	3.0
341.17303	0.7
355.15338	0.4
357.16708	0.5
359.18484	3.3
365.17349	0.3
367.18893	0.4
371.18491	0.7
377.17343	0.4
381.17044	0.4
383.17990	0.3
387.18036	0.5
389.19556	2.9
395.18542	0.4
399.18204	0.3
401.19516	1.3
413.19531	0.5
419.20010	0.3
421.16406	4.0
429.16995	0.7
435.17505	0.4
445.16486	0.5
447.17957	5.9
459.25366	0.6
463.17392	0.5
465.19086	4.7
471.18121	0.3
477.18924	0.5
489.26025	0.6
495.19922	0.8
501.26480	0.3
503.20325	0.7
513.19049	0.4
513.26257	0.4
521.21686	1.4
531.19629	0.3
533.28882	0.3
539.22437	2.0
551.29968	1.1
553.29218	0.3
563.29694	0.5
567.29749	0.4
569.31049	2.1
575.29547	0.5
579.29291	0.3
581.31128	2.2
585.30640	0.6
587.31030	0.4
593.30841	1.7
599.32129	2.4
605.30646	0.8
611.32111	3.3
621.28973	0.3
623.31824	1.3
627.31219	0.9
629.32678	1.0
639.29822	0.6
641.32684	0.7
657.29999	0.6
687.30884	0.8
705.32404	2.6
713.32959	1.9
723.33307	1.2
731.34045	4.1
749.35175	5.6
754.91931	0.3
755.33258	0.4
767.36108	2.8
773.34546	0.5
797.34351	0.3
875.37756	0.3
911.40082	0.4
947.70923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43161	0.2
67.05466	0.4
69.03415	0.2
69.07028	0.3
69.63454	1.3
71.04643	0.4
71.04980	4.8
71.05302	0.2
79.05430	0.2
81.07031	0.4
83.01311	0.2
83.04945	0.2
83.47808	0.2
91.05447	0.3
93.07020	0.4
93.09577	0.2
94.97693	0.2
95.08575	0.5
97.02836	0.2
99.04427	2.4
103.05418	0.2
105.07015	8.1
107.08564	0.7
109.10115	0.3
111.04430	4.2
113.05962	0.3
118.32648	0.1
119.08572	0.8
121.10155	1.2
123.07968	0.2
125.05933	0.2
128.06294	0.2
130.07838	0.2
130.44112	0.2
131.08510	0.6
135.04323	0.2
135.11725	0.2
137.05907	0.2
139.07458	0.2
143.08549	0.3
145.06488	0.2
145.10107	9.1
147.11674	1.3
149.05957	1.1
151.07536	0.4
155.08554	0.6
157.10037	0.5
159.11670	0.3
159.55296	0.2
163.11179	0.3
164.76920	0.2
169.04895	1.6
169.08565	1.4
169.09964	0.4
171.07986	0.8
171.11629	0.2
173.09596	2.5
175.11134	0.4
181.08592	0.4
181.10045	0.4
182.10797	0.7
183.11620	0.4
185.09610	0.2
189.09029	0.4
189.12711	1.7
191.10640	16.3
192.11073	0.2
195.10034	0.2
195.11646	0.3
197.13213	3.3
201.09077	10.3
203.10634	0.6
207.11798	0.3
209.11559	0.3
209.13402	0.2
210.10382	0.4
211.11148	2.7
213.12695	0.3
214.13530	0.2
215.10672	0.3
215.14211	1.0
223.11099	0.2
225.12677	2.0
227.10631	0.6
227.14418	0.2
228.11475	0.2
229.12169	0.4
239.09084	0.2
241.12312	1.0
243.13771	47.2
244.14133	1.2
245.15361	1.2
253.12135	0.2
261.12097	0.2
261.14835	4.1
271.13205	1.0
273.14581	0.3
275.12640	0.3
289.14307	8.3
290.71432	0.2
299.16611	0.3
307.15305	1.5
313.17926	19.5
314.18240	0.9
315.19522	3.8
331.18930	0.3
335.07147	0.2
335.22220	0.3
337.27457	0.3
338.27536	0.3
341.17322	0.4
359.18472	29.9
360.18900	1.2
377.19531	100.0
378.19888	2.6
394.22205	0.3
497.45917	0.2
501.22412	0.3
943.46619	0.2
970.26044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.7
69.03384	0.3
69.07052	0.4
71.04627	0.7
71.04982	5.2
71.05341	0.6
71.80634	0.3
79.05474	0.6
81.07020	0.8
91.05447	0.7
93.07008	0.3
99.04443	3.4
105.06361	0.4
105.07010	7.1
107.08555	0.8
109.10149	0.3
111.04432	5.7
117.06953	0.6
119.08523	1.1
121.10148	1.6
131.08537	0.8
133.10085	0.3
143.08562	0.4
145.08992	0.6
145.10101	9.9
146.10483	0.4
147.11644	1.2
149.05942	1.3
151.07603	0.4
155.08505	0.6
157.10158	0.3
159.07951	0.3
169.04959	1.8
169.08556	1.3
169.09830	0.3
171.08044	0.6
173.09592	2.4
182.10884	0.4
183.11696	0.3
185.09541	0.4
189.08997	0.5
189.12665	1.9
191.10652	10.1
197.13191	2.6
201.09067	6.2
203.10684	1.0
206.02446	0.3
207.11771	0.3
211.11142	3.5
215.10617	0.4
215.14284	0.9
225.12730	1.3
227.10568	1.0
228.11397	0.4
241.12199	1.2
243.13774	52.2
244.14195	1.7
245.15327	1.0
261.14807	5.2
263.16409	0.5
271.13281	0.7
289.14307	8.4
307.15399	1.2
313.17938	20.7
314.18259	1.2
315.19467	3.4
359.18491	23.0
360.18857	1.1
377.19537	100.0
378.19907	4.5
546.04034	0.4
848.50958	0.4
943.45874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.3
69.03424	3.3
69.07071	0.6
69.11524	0.2
70.11427	0.8
70.11835	0.4
71.01348	0.6
71.08630	0.9
73.02912	3.5
79.05470	1.4
81.03415	1.8
81.07047	2.7
83.04990	0.3
83.08627	0.6
85.02898	6.2
85.03400	0.4
85.10204	0.4
87.04481	0.4
91.03947	2.9
91.05487	0.8
91.65022	0.2
93.07052	1.9
93.07559	0.3
95.04948	0.4
95.08584	1.8
97.02884	5.6
97.06478	0.3
98.20732	0.3
99.04462	0.8
101.02357	2.2
105.07030	0.4
107.08600	0.8
109.02890	1.0
109.10172	0.9
115.03923	0.4
119.08587	0.5
121.10167	1.0
123.11726	0.4
127.03932	1.2
133.10144	0.4
135.11745	0.6
145.04965	0.3
149.13266	0.2
165.05463	0.3
185.04251	0.8
188.11472	0.2
203.05389	0.5
223.09685	0.2
237.11261	0.4
243.08485	1.4
313.27286	0.3
335.25891	0.6
347.09485	2.2
347.58554	0.2
363.08868	0.4
365.10526	1.1
405.13593	4.9
405.18338	0.3
432.54718	0.3
477.24030	0.3
491.35300	0.3
497.30774	2.7
519.29279	4.6
542.12775	0.3
659.36029	3.2
681.34357	5.4
775.53552	1.0
937.58490	100.0
938.58685	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	936.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.2
67.05493	54.5
69.03424	10.2
69.06689	1.8
69.07055	23.5
69.74250	7.7
71.01344	1.7
71.04993	7.5
73.02905	3.1
77.03905	1.3
79.05482	52.7
80.05814	1.2
81.03405	66.2
81.07043	66.4
83.04967	21.3
83.08607	30.0
85.02891	31.0
85.06517	4.2
91.03418	0.8
91.03922	4.5
91.05465	54.9
93.07031	50.6
94.07356	0.9
95.04957	33.4
95.08591	26.1
97.02879	10.4
97.06518	15.6
97.10168	7.3
99.04439	2.8
99.08067	3.5
103.05454	2.0
105.07012	40.6
107.04938	13.7
107.08579	28.3
109.02879	2.4
109.06509	10.2
109.10146	9.0
111.04422	3.2
111.08061	12.3
113.05979	2.1
115.05414	3.0
117.06992	13.7
119.04920	1.4
119.08565	33.6
119.09422	2.0
121.06488	5.6
121.10126	19.4
123.04446	1.1
123.08052	6.9
123.11666	4.6
125.09624	5.2
127.03922	5.9
129.05475	1.2
129.06990	15.0
129.07875	1.6
131.04903	1.3
131.08554	25.7
133.06470	3.3
133.10109	23.6
135.08060	3.5
135.11649	10.5
137.09593	3.1
141.06848	0.9
141.39333	0.9
142.07768	3.4
143.08527	3.5
145.04948	1.3
145.06433	1.4
145.10097	13.2
147.04283	1.0
147.08017	5.2
147.11668	21.8
149.09599	15.8
149.13222	8.7
151.11172	2.5
153.09219	1.0
155.08548	2.1
157.10097	17.2
159.08055	1.5
159.11674	10.0
161.09660	1.0
161.13263	2.6
163.05933	1.5
163.11163	7.7
163.14847	1.0
165.12743	3.6
169.10089	2.1
171.10248	1.3
171.11671	3.5
173.04448	4.3
173.09503	0.9
173.13213	4.6
175.11171	18.3
177.12686	4.7
179.14316	2.8
183.11691	2.4
184.07440	1.3
185.13316	1.7
187.11038	1.0
187.14780	1.3
189.11186	2.1
189.12743	1.5
193.12212	37.3
194.12643	0.9
195.11972	0.9
195.13756	4.4
197.13280	1.7
199.14783	1.4
201.12733	0.9
207.13736	0.9
211.13260	61.8
227.04788	1.0
227.12744	6.0
229.14267	2.0
229.19499	2.1
231.13789	0.9
233.15448	0.9
239.17961	2.0
247.20581	1.6
249.14824	1.1
255.15918	9.9
257.18988	8.0
267.15869	39.0
269.17438	26.8
273.14822	0.9
275.20023	24.5
283.15381	1.6
285.16925	69.4
293.21008	2.9
293.67480	1.0
321.24493	1.0
331.22598	2.8
339.17841	1.5
341.24530	1.0
349.23691	27.2
356.52869	0.9
367.24707	3.1
381.22983	1.0
393.19299	0.9
413.21634	2.3
435.27539	1.3
437.25403	2.1
439.26779	3.3
443.27814	3.7
447.21808	1.3
447.27460	12.6
449.30551	1.2
455.26178	1.8
459.26877	1.1
461.28967	39.6
463.30197	1.6
465.28522	18.5
467.31305	1.1
477.28424	1.0
479.29999	100.0
480.30313	2.7
501.32159	1.8
513.35529	1.4
519.32819	1.5
541.35150	21.1
559.36212	49.3
560.37115	1.1
577.37177	11.9
583.30560	1.4
599.29968	1.7
605.32892	2.5
623.34027	8.2
667.38507	1.2
685.39215	1.3
703.40155	2.5
721.40973	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	936.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.8
67.05495	74.7
69.03415	11.3
69.07054	30.0
70.39811	3.7
71.01350	2.0
71.04984	10.2
73.02902	7.8
74.23912	1.0
77.03908	1.1
79.05482	76.6
81.03405	66.3
81.07043	84.8
82.04148	1.4
83.04970	26.2
83.08605	32.4
83.09079	2.0
85.02891	46.9
85.06526	6.1
87.04453	1.5
91.03952	12.6
91.05467	100.0
92.05790	2.0
93.07028	75.2
95.04331	1.6
95.04500	0.8
95.04953	42.9
95.08591	46.0
97.02879	18.5
97.06515	17.0
97.10156	10.7
98.07293	1.6
98.20711	1.5
99.04449	2.8
99.08075	5.3
103.05438	2.0
105.04517	2.1
105.07015	85.5
106.48678	1.0
107.04937	12.6
107.08576	43.1
109.02848	3.2
109.06509	10.2
109.10136	21.2
111.04423	6.4
111.08061	14.8
113.06011	3.7
115.05412	5.1
116.04697	2.2
116.06149	1.3
117.07006	26.0
119.04953	1.2
119.08559	69.1
121.06487	5.2
121.10130	31.8
121.10987	2.1
123.04377	1.4
123.08067	9.2
123.11667	6.2
125.09607	8.2
127.03881	7.1
128.06233	2.8
129.05479	13.6
129.06970	26.5
130.07764	1.9
131.08548	44.9
133.06488	5.4
133.10109	53.5
135.08080	6.3
135.11682	19.4
137.09596	7.9
139.11142	1.6
141.07027	3.4
142.07722	6.1
143.07082	2.5
143.08546	10.1
145.04939	6.4
145.06505	2.2
145.10103	26.7
147.08032	5.1
147.11664	48.6
149.09595	15.1
149.13239	16.8
151.11188	3.2
155.08556	4.0
156.09332	1.5
157.08681	3.7
157.10083	27.3
159.11664	22.3
161.09598	3.2
161.13239	20.9
163.06068	5.1
163.07306	1.3
163.11147	10.2
163.14806	2.3
165.09071	1.2
165.12752	4.8
167.08505	1.6
167.10646	1.2
169.08807	1.4
169.10045	5.5
171.07977	1.1
171.10260	1.8
171.11618	12.4
173.04404	2.6
173.09650	2.1
173.11839	2.0
173.13255	10.8
174.13559	0.9
175.11174	18.0
175.14766	8.6
177.12737	3.7
179.10623	1.5
179.14279	1.9
181.10101	2.0
181.12259	1.3
183.11723	3.2
185.09604	1.1
185.13217	11.0
187.11150	1.3
187.14851	4.0
189.11189	3.9
189.12709	1.8
191.10666	1.3
193.12210	57.4
195.11784	1.9
195.13794	5.3
197.13374	2.4
199.13248	1.4
199.14807	6.3
203.14375	1.5
209.13341	1.7
211.13258	76.4
213.14700	2.1
213.16470	1.6
215.14522	1.5
215.17879	1.8
217.15958	1.3
219.13791	1.5
227.12737	10.0
229.14249	6.1
229.19475	2.6
231.17572	1.6
231.21071	3.3
232.23927	1.1
239.17982	3.7
241.19518	16.0
243.12206	1.7
245.18979	1.2
247.20616	2.0
249.14900	1.8
255.16002	1.6
257.18973	7.9
259.20532	48.0
261.22101	2.0
265.14511	1.2
267.15881	36.4
269.17432	21.8
273.18561	1.2
275.20068	19.4
283.15451	4.1
285.16922	78.6
291.19540	1.6
293.21143	1.9
297.22089	1.4
299.15018	1.4
299.23663	1.2
301.16406	18.5
301.21686	2.3
303.15906	1.2
305.21219	1.1
313.21478	2.0
315.23212	4.6
331.22623	1.9
333.24222	36.4
349.23700	15.5
367.23074	1.2
387.25363	2.0
415.29776	1.6
421.25809	3.0
433.30872	4.7
435.27206	1.3
439.27002	3.5
443.27603	2.2
451.31973	4.4
461.28979	14.9
463.30469	1.5
469.32922	2.5
473.28806	1.2
477.28625	1.3
479.29941	33.6
483.30334	1.4
507.34866	2.5
515.37469	1.8
519.33972	1.1
525.35669	27.1
541.35254	7.6
543.36749	64.0
559.36218	18.5
561.37976	3.0
577.37140	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	936.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.0
67.05495	77.7
69.03420	13.3
69.07059	30.0
71.01330	1.5
71.04982	8.9
71.08632	1.8
71.81109	1.3
73.02896	7.6
77.03906	2.0
79.05482	76.3
81.03406	75.0
81.07043	91.5
83.04966	28.6
83.08607	32.3
85.02894	49.1
85.06517	5.7
87.04490	1.9
91.03955	11.7
91.05466	100.0
93.07030	83.7
93.07656	1.0
95.04953	42.9
95.08589	46.5
96.04398	1.0
97.02884	19.9
97.06519	15.4
97.10165	8.8
99.04430	3.9
99.08080	6.1
100.87802	0.9
101.02332	1.0
103.03941	1.7
103.05458	3.6
105.04531	1.5
105.07013	86.5
107.04932	13.4
107.08575	45.9
108.08930	1.0
109.02843	2.9
109.06505	11.7
109.10144	20.8
111.04387	4.6
111.08073	13.4
113.06019	2.6
113.09641	1.2
115.03930	1.1
115.05455	3.2
117.06995	27.8
119.04924	2.1
119.08565	69.4
121.06516	7.4
121.10130	31.3
123.04381	1.0
123.08041	9.3
123.11673	5.2
125.06097	1.3
125.09599	7.2
127.03894	10.3
127.07534	1.9
128.06223	3.0
129.05521	4.6
129.06992	26.3
131.08551	46.7
133.06471	5.9
133.10112	58.6
134.10448	1.5
135.08055	5.8
135.11673	21.1
137.09607	4.4
137.13208	2.2
139.03850	1.3
139.11171	1.4
141.06960	3.5
142.07736	5.4
143.08548	13.2
145.04956	6.5
145.06424	2.3
145.10100	28.3
146.08130	1.4
146.10580	1.0
147.08040	5.6
147.11668	54.8
149.09593	18.5
149.13222	14.6
151.11168	4.8
155.08553	5.4
157.10110	28.0
159.11681	26.2
161.09564	2.9
161.13234	19.9
163.06000	3.5
163.11160	9.7
163.14758	2.4
165.12747	5.8
167.08522	1.7
169.10135	5.0
171.10226	1.1
171.11655	13.2
173.04445	2.3
173.09625	1.2
173.11787	1.8
173.13214	14.1
175.11162	21.2
175.14777	6.7
177.12766	5.7
179.14182	2.2
181.10114	2.9
183.11670	4.6
185.13213	9.0
187.14832	4.1
189.11125	2.4
189.12685	2.5
189.16275	1.7
191.10670	1.6
191.14201	1.4
193.12218	51.1
195.11653	2.4
195.13814	6.0
197.13232	4.0
199.14740	6.1
201.12724	1.0
201.16374	2.0
203.14267	1.6
207.13792	1.1
209.13208	3.0
211.13260	72.0
213.16380	2.0
215.14470	1.4
215.17950	1.4
217.15817	2.0
223.14882	1.9
227.12784	5.8
229.14291	3.9
231.17395	1.3
231.21068	4.2
233.15314	1.6
239.18022	2.3
241.19490	16.8
243.21046	1.3
247.20587	1.7
253.14310	2.8
254.14749	1.3
255.15831	1.4
257.18991	10.7
259.20544	55.7
261.22101	1.5
265.14365	1.4
267.15869	32.7
269.17441	34.0
273.18433	2.0
275.17026	1.9
275.20044	18.1
281.17642	1.3
283.15387	3.6
283.20560	1.3
285.16928	67.4
291.19418	2.5
293.17734	1.5
293.21158	2.5
299.23587	1.3
301.16544	2.0
301.21530	1.8
315.23038	4.8
331.22626	2.1
333.20212	1.9
333.24213	39.1
335.25714	1.6
349.23749	17.7
369.24063	1.3
371.25650	1.1
373.18365	1.6
421.25677	3.5
433.31216	5.8
435.27051	1.1
439.26840	4.3
443.27866	1.1
449.29492	1.3
451.32129	5.4
461.22430	1.2
461.28915	19.4
463.30713	1.5
465.28601	1.1
469.33264	1.7
473.28781	2.2
477.28531	2.4
479.30011	47.7
480.29608	1.0
491.30014	1.2
501.31650	1.3
507.34253	2.8
515.37238	5.0
523.34143	1.3
525.35718	28.4
526.36340	1.2
541.35083	6.5
543.36743	78.8
559.36200	13.8
561.37579	4.8
576.36353	1.2
577.36658	3.8
583.30170	1.9
623.32819	1.6
633.36066	1.1
657.60779	1.1
687.40167	1.2
908.19806	1.1
926.42682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	3.2
67.05495	60.4
69.03417	16.3
69.07058	36.9
70.03308	6.3
71.01337	2.3
71.04981	9.6
73.02915	4.5
77.03912	1.2
79.05483	62.7
81.03407	51.3
81.03812	0.7
81.07044	71.8
83.01317	5.9
83.04510	1.4
83.04970	21.9
83.08608	30.9
85.02897	28.4
85.06518	4.4
87.04449	1.2
91.03954	8.7
91.05470	55.5
93.07029	66.4
95.01291	1.3
95.04955	29.6
95.08588	30.1
97.02877	18.1
97.06517	16.3
97.10156	15.6
98.21429	2.0
98.35710	0.9
99.04435	4.0
99.08070	2.5
103.05468	1.9
105.07014	41.7
107.04939	21.8
107.08579	40.5
109.02827	3.5
109.06506	12.0
109.10135	14.3
111.04421	4.8
111.08072	11.5
113.05984	2.7
115.05440	2.5
117.06995	19.5
119.04921	2.8
119.08563	37.0
121.06499	9.5
121.10130	24.2
123.04409	2.6
123.08054	14.9
123.11678	5.1
125.05978	2.3
125.09627	13.6
125.36458	0.9
127.03891	6.6
128.06194	3.1
129.05472	1.5
129.06985	13.2
130.07776	1.8
131.04956	1.8
131.08553	24.9
133.06494	4.8
133.09175	1.7
133.10121	24.5
135.08029	8.7
135.10637	1.1
135.11676	20.9
137.05919	1.0
137.09587	5.7
139.07523	1.6
141.06985	1.3
142.07735	2.7
143.08557	6.7
145.04953	3.7
145.06424	2.9
145.10104	27.9
147.08026	10.3
147.11674	15.5
149.05994	1.4
149.09616	11.2
149.13269	9.3
151.11113	3.4
153.09003	1.9
153.12717	4.0
155.08517	2.7
157.10118	13.1
159.07997	1.2
159.11641	9.9
161.09566	3.6
161.13245	2.1
163.11165	28.1
165.09102	1.3
165.12766	2.1
169.10153	3.6
169.12280	1.4
171.10199	1.4
171.11630	2.8
173.04456	2.9
173.09566	4.1
173.13217	3.3
175.11169	10.7
177.12732	3.9
179.14258	1.9
181.12225	4.2
183.11716	2.3
185.13297	2.0
187.14709	1.0
189.11203	5.4
189.12727	2.1
191.10649	3.1
193.10507	2.1
193.12221	22.7
195.13788	2.9
197.13211	1.2
205.12256	2.1
209.11797	4.5
211.13254	31.3
221.13235	1.1
223.13278	17.7
227.12733	15.6
229.14233	1.1
239.17943	1.2
245.18925	1.3
249.14825	4.2
253.14169	1.6
255.15646	7.1
257.18942	4.5
265.14227	1.3
267.15863	26.3
269.17435	18.2
273.18457	13.2
275.20010	18.5
283.15369	69.2
284.15649	1.6
285.16962	31.3
289.18091	1.2
290.86206	1.0
291.19504	83.9
292.19864	2.3
293.21069	1.4
331.22610	1.9
347.22153	3.0
349.23706	18.7
365.23181	46.5
366.23468	1.1
367.24768	1.9
413.21487	1.7
437.25159	3.1
445.25784	2.6
453.24756	2.8
459.27255	5.3
461.28769	1.7
463.26797	26.7
477.28433	100.0
478.29013	2.2
493.27563	2.3
495.29041	3.2
496.18903	1.1
517.31458	2.3
529.34821	1.7
539.33649	5.7
557.34644	84.1
558.34918	1.6
575.35724	97.8
576.35846	4.4
597.29199	1.4
603.30640	1.1
621.32489	6.5
639.33154	1.2
701.38647	2.0
719.39740	3.7
737.40942	1.3
911.84668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	1.3
67.05495	36.4
67.05830	1.6
67.22642	0.3
69.03407	2.2
69.07057	12.0
71.04977	2.0
71.08620	19.8
71.40816	0.8
73.02903	3.8
77.03889	0.6
79.05482	19.6
81.03352	1.4
81.07043	39.6
82.07327	0.6
83.04919	1.1
83.08602	10.3
84.08949	0.3
85.02892	15.7
85.06473	1.4
85.10168	11.4
89.05970	1.4
91.03943	12.1
91.05462	11.5
93.07030	26.0
95.04955	2.1
95.08594	39.4
95.09168	1.3
96.04417	0.7
96.08893	0.4
97.02877	7.5
97.06451	1.3
97.10151	5.3
99.04388	1.4
99.08041	1.0
99.11676	0.7
101.05981	0.5
103.07529	1.0
105.07015	8.0
107.08578	16.4
108.08849	0.4
109.02814	0.6
109.06416	1.3
109.10140	21.1
111.08001	0.8
111.11641	1.3
113.09597	0.7
115.03864	0.6
117.06976	3.1
117.09095	0.6
119.07759	0.4
119.08569	7.5
121.10130	13.8
123.08037	0.7
123.10881	0.6
123.11687	8.9
125.09615	0.6
127.03899	4.4
127.11133	0.4
129.06944	0.6
131.07637	0.6
131.08545	7.9
131.10765	0.4
133.09200	0.5
133.10112	6.3
135.07951	0.4
135.11674	11.7
136.11909	0.4
137.09608	0.8
137.13226	3.5
139.11168	0.4
143.08493	0.4
145.04935	6.4
145.10120	5.5
147.11676	4.8
149.13240	7.0
151.11121	0.6
151.14738	1.4
159.11705	5.2
161.13223	4.3
163.06007	7.6
163.14787	3.4
165.12709	0.7
170.09277	0.4
173.13242	5.2
175.14752	1.7
177.16280	1.3
179.17957	0.4
187.14861	2.9
191.14282	0.4
201.16290	0.8
221.22539	0.3
233.22594	1.9
239.23613	2.5
243.21075	10.2
257.24683	1.9
261.22107	38.2
262.22406	1.3
277.21527	0.4
279.23267	0.6
299.23639	0.9
313.27316	100.0
314.27716	4.7
317.24667	4.6
333.24246	0.4
335.25760	84.1
336.26089	3.3
353.26718	0.8
450.96542	0.4
497.31436	0.6
499.45206	0.9
573.48688	43.1
574.49030	4.1
576.78735	0.4
591.49725	11.7
592.50128	1.5
627.46704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.2
67.05495	37.4
68.05831	0.5
68.32436	0.4
69.03415	4.0
69.07059	13.4
70.06566	0.7
71.04977	3.0
71.08606	0.8
71.79923	0.4
71.80346	0.7
73.02896	1.2
73.06535	1.3
74.95984	0.5
77.03905	1.2
79.05481	49.4
80.05839	0.8
81.03403	9.4
81.07043	43.0
81.18545	0.5
83.04965	10.1
83.08604	8.8
85.02898	5.1
85.06528	2.7
87.04465	0.5
88.07607	0.8
91.03942	2.4
91.05466	44.0
92.05782	0.5
93.07029	52.7
94.07352	0.5
95.04955	15.4
95.08590	23.9
97.02865	4.7
97.06514	9.7
97.10143	4.1
99.04441	1.0
99.08079	1.7
103.05460	0.9
105.04478	0.8
105.07011	30.3
107.04943	9.0
107.08575	20.9
109.02857	1.1
109.05821	0.7
109.06503	5.7
109.10136	7.1
111.08052	3.7
113.09682	0.7
115.05434	1.3
117.07001	10.9
119.08560	20.3
120.08944	0.6
121.06483	3.5
121.10117	9.1
123.04421	0.6
123.08059	4.1
123.11681	1.8
125.09662	2.3
127.03895	2.2
127.07500	0.8
128.06218	1.6
129.05495	0.6
129.06989	11.0
130.07791	1.1
131.08542	9.1
131.09474	0.8
133.06493	1.2
133.10112	13.2
135.08017	2.2
135.11679	8.7
137.09601	2.0
139.03894	0.5
139.07542	0.5
141.06926	1.0
143.08545	6.4
145.04909	0.9
145.06461	0.7
145.10097	13.0
146.08102	1.3
147.08032	2.8
147.11665	23.9
149.09599	6.0
149.13216	4.8
151.07523	0.5
151.11168	1.7
155.08571	1.3
156.09343	1.0
157.10097	1.7
159.11678	6.2
161.09639	3.4
161.13242	8.0
163.05872	0.6
163.11157	6.0
165.09093	0.4
165.12775	0.9
169.10117	1.6
171.10208	1.0
171.11668	14.7
173.04391	2.6
173.09636	0.9
173.11870	0.5
173.13261	2.4
175.11157	1.0
177.12691	2.3
179.14325	1.2
183.11697	1.1
184.07297	0.6
185.13248	0.9
187.11185	0.6
187.14789	0.7
189.11192	0.8
189.12683	6.1
195.13809	1.6
197.13283	1.1
199.11174	0.4
199.13274	0.5
199.14969	0.6
201.16429	0.5
207.13773	12.4
225.14833	1.3
227.12773	3.5
229.19420	1.2
239.17946	1.4
247.20631	1.1
251.16370	0.6
253.14365	2.0
253.17934	0.6
255.15828	3.8
256.26376	2.7
257.19009	5.0
261.22095	0.6
263.16415	0.5
267.15985	1.4
269.17438	9.9
270.17902	0.6
273.18503	0.9
274.27301	3.6
275.20013	15.4
279.15723	1.1
281.17435	47.9
282.17825	1.9
283.15335	1.3
291.19611	1.0
293.21143	1.2
312.27863	0.4
313.27322	0.9
331.22678	1.4
335.25845	0.5
349.23685	12.3
351.17810	0.5
367.24762	1.3
369.80927	0.5
377.23224	0.7
413.21509	0.6
435.27124	2.4
451.26611	2.2
457.29498	1.7
459.30957	1.1
461.28912	23.2
462.29187	1.1
475.30508	100.0
476.30911	4.6
491.29916	0.7
493.28198	0.9
499.30136	0.5
515.33539	1.9
527.37146	1.2
537.28174	0.7
537.35559	2.8
555.36761	44.1
556.37048	2.5
573.38055	10.0
595.31268	0.8
619.34674	4.5
639.39252	0.5
651.61688	0.6
681.39398	0.8
699.40350	1.2
717.41321	1.4
839.25458	0.5
880.87909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5708
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22760	0.8
67.05486	2.0
69.06685	1.1
69.07062	18.9
71.81960	1.0
79.05496	1.7
81.07050	2.1
83.01341	3.4
91.05457	1.8
93.07029	3.1
95.08596	7.6
105.07007	3.9
107.08561	5.9
109.10137	1.9
119.04935	1.8
119.08591	1.3
121.10137	6.8
129.81190	0.7
131.08522	1.2
133.10103	8.9
135.08018	1.7
145.10118	2.8
147.11674	1.9
149.09648	1.8
163.07521	1.3
165.05447	3.9
167.10664	1.5
173.09610	4.7
175.11156	4.2
177.09077	5.6
179.07045	1.0
183.11659	1.2
188.94975	0.9
191.07025	2.6
191.10596	2.8
201.09090	2.6
205.08540	1.3
209.08037	1.6
214.40123	0.7
217.08839	0.8
217.12210	0.9
219.10129	40.6
220.10434	1.0
221.11726	1.9
223.14822	0.8
225.08765	0.9
231.10097	1.0
237.11180	56.8
238.11549	1.9
239.14291	1.3
245.11853	1.7
255.13803	0.9
258.92026	0.8
263.12506	3.7
267.13824	2.7
273.14883	1.5
277.12253	1.1
281.13776	1.1
283.13364	2.7
285.14844	2.1
292.14529	1.6
293.15363	1.1
297.14801	3.2
305.17435	6.9
305.68173	0.8
315.15891	4.4
321.18423	5.5
323.20148	1.3
339.19482	18.7
340.19962	1.3
341.21069	1.8
351.19333	1.6
357.20557	63.5
358.20908	2.8
359.22220	2.1
375.21622	49.0
376.21948	1.8
389.24857	4.0
407.25748	4.9
425.26837	15.7
443.27887	100.0
444.28247	3.8
460.59824	0.9
581.65204	0.8
596.45630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.7
67.05497	42.8
69.03436	4.4
69.06686	1.2
69.07054	12.9
71.04990	5.5
71.81150	1.0
73.02907	3.2
77.03883	1.0
79.05484	42.5
81.03407	41.5
81.07047	45.8
83.04968	11.5
83.08605	20.4
84.08144	0.7
85.02381	1.6
85.02894	24.9
85.06523	3.7
88.59473	0.8
91.03960	5.1
91.05468	57.5
92.05816	0.9
93.07032	44.6
95.04955	20.9
95.08594	23.7
97.02878	7.4
97.06533	6.4
97.10136	5.1
99.08076	2.5
105.07018	50.9
107.04938	7.0
107.08578	24.9
109.02827	1.3
109.06512	6.2
109.10142	12.5
111.04426	2.8
111.08068	8.4
113.06014	1.6
115.05466	2.0
116.06267	0.7
117.06989	13.7
119.08566	42.9
121.06487	2.3
121.10123	19.6
123.08031	3.7
123.11719	3.8
125.09638	4.1
127.03900	2.5
127.07579	0.8
128.06233	2.0
129.05515	1.6
129.06982	16.2
129.07851	1.3
130.05017	0.8
130.08638	1.1
131.04953	0.7
131.08545	25.1
133.06488	2.6
133.10112	33.8
135.08076	2.7
135.11658	12.4
137.09618	1.7
139.11203	0.8
141.06990	2.0
142.07805	4.2
143.08525	8.8
144.09348	0.9
145.04942	2.4
145.06448	1.0
145.10106	16.3
147.08063	3.6
147.11671	34.2
149.09608	6.1
149.13217	7.9
150.96303	0.8
151.11142	1.3
155.08536	2.2
157.10101	18.9
159.08022	0.8
159.11685	14.4
161.09607	1.7
161.13252	18.7
163.06038	2.6
163.11162	3.7
163.14827	1.3
165.12741	3.5
167.08630	1.2
169.10146	2.7
171.11665	9.8
173.09691	1.6
173.11761	1.8
173.13280	7.5
175.11183	11.1
175.14780	7.1
177.12752	1.9
181.10161	1.4
181.12102	1.1
183.11664	3.3
184.07352	1.6
185.13229	7.0
187.14760	2.2
189.11192	1.4
189.16316	0.8
193.12222	29.2
193.13976	1.5
195.11714	1.6
195.13779	0.9
197.13164	3.5
199.14742	4.9
201.12653	1.1
201.16344	0.8
211.13258	39.0
213.16466	1.3
217.15849	1.0
219.17564	1.2
223.14868	1.5
225.12964	0.8
227.12686	4.9
229.14204	3.5
231.21039	3.0
241.19476	15.9
257.19058	3.1
259.20538	45.5
261.22125	1.6
265.14343	1.0
267.15875	18.2
269.17371	4.7
271.20364	1.4
275.20105	3.2
277.21594	1.9
283.15332	4.7
285.16931	50.8
286.17111	0.9
297.22171	2.0
299.23792	2.3
301.21649	1.2
315.23169	5.7
321.22079	1.0
325.21716	1.1
331.22845	1.2
333.24207	37.5
334.24667	1.7
335.25720	1.4
339.23135	0.9
349.23669	2.6
353.24658	0.9
357.24435	1.0
367.22757	1.1
371.25610	0.8
415.30286	1.0
421.25800	1.6
423.32809	1.0
433.30933	7.8
435.27206	1.3
445.29941	1.0
451.32095	7.3
461.28778	1.3
463.30759	1.9
469.33276	5.3
487.34821	0.9
489.33484	0.9
507.34741	3.8
514.73279	0.8
515.37549	4.3
525.35712	35.5
526.36267	1.5
543.36761	100.0
544.37292	3.5
559.36713	0.9
560.36346	0.9
561.37854	6.1
639.38910	0.7
651.38513	3.1
669.39862	1.8
687.40741	3.1
705.41791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	2.5
67.05496	33.3
69.03426	3.1
69.07058	9.7
69.64539	4.2
70.06583	0.8
71.01340	0.6
71.04983	5.3
72.04492	0.6
73.02900	2.3
77.03890	0.6
77.46751	0.4
79.05482	38.2
81.03407	31.5
81.07045	36.8
83.04966	9.1
83.08610	13.9
85.02893	18.5
85.03406	0.9
85.06532	3.4
86.09718	0.8
87.04466	0.6
91.03938	3.9
91.05467	50.4
92.05786	0.8
93.07031	41.0
93.62872	0.4
95.04955	16.9
95.08593	21.6
97.02880	5.0
97.06506	3.9
97.10152	4.5
99.04462	0.8
99.08089	2.5
103.05445	1.4
105.07015	50.7
106.07321	0.7
107.04939	4.9
107.08578	22.1
109.02859	0.9
109.06517	4.8
109.10142	10.1
111.04432	1.8
111.08067	6.1
113.05997	1.6
113.09611	0.7
115.05434	1.8
117.06994	11.0
119.04950	0.7
119.08562	41.9
121.06483	2.5
121.10126	17.9
121.11002	1.0
123.08064	2.1
123.11715	3.4
124.99940	0.5
125.09615	2.6
127.03914	2.3
127.07539	0.9
128.06216	2.2
129.05502	1.0
129.06987	14.6
130.07774	1.2
130.08633	0.7
131.08549	21.0
133.06490	2.0
133.10109	32.6
135.08098	2.4
135.11679	11.3
135.34851	0.6
137.09619	2.0
137.13248	1.1
139.11163	0.8
141.06996	1.3
142.07762	3.1
143.08548	6.6
145.04974	2.3
145.06483	0.6
145.10109	15.3
145.11259	1.1
147.08020	2.9
147.11662	31.2
148.12085	0.9
149.09613	5.2
149.13232	5.5
151.11142	1.4
153.12723	0.7
155.08569	2.1
156.09273	0.6
157.10112	13.1
159.08029	0.8
159.11668	13.4
159.12982	0.8
161.09610	0.9
161.13237	15.5
163.06003	1.7
163.11140	2.3
163.14804	2.2
165.12709	1.9
167.08618	1.1
169.10118	3.4
171.08209	0.5
171.11664	9.9
171.13083	0.7
173.09607	0.9
173.11781	0.5
173.13232	7.8
175.11151	8.1
175.14784	6.8
177.12733	1.6
179.08421	0.7
181.10103	1.1
181.12210	0.7
183.11674	2.1
184.07314	1.2
185.13234	7.7
187.11050	0.7
187.14807	2.4
189.11200	1.1
189.12718	0.8
189.16438	1.2
191.10675	1.4
193.12216	20.3
195.11703	1.3
195.13716	1.0
197.13263	2.4
199.14774	4.0
201.12866	0.6
201.16420	0.8
207.11693	0.7
209.13255	1.2
209.15245	0.5
211.13248	28.8
213.16388	2.1
217.15881	0.9
221.13260	0.7
223.14691	1.0
227.12766	3.0
229.14388	2.5
231.17439	1.1
231.21054	4.4
241.19475	17.8
242.19888	1.1
243.21236	0.6
247.17068	0.6
249.14868	0.6
257.19022	2.7
259.20541	56.6
260.20889	1.4
261.22214	1.6
265.14496	0.6
267.15878	13.3
269.17419	2.3
271.20593	0.6
275.20096	1.8
277.21649	2.1
281.19238	0.5
281.22629	0.6
283.15433	2.6
283.20584	1.3
285.16907	36.2
286.17294	1.3
291.19446	0.8
297.22156	1.5
299.20444	0.6
299.23801	1.6
301.21536	1.4
306.26047	0.5
307.20529	0.7
311.23596	0.6
315.23141	5.3
317.25064	0.5
325.21490	1.1
331.22836	0.9
333.24207	43.0
334.24503	2.2
335.25745	2.1
339.23242	1.3
349.24078	0.7
351.25412	1.1
367.22821	1.1
389.27274	0.7
405.31281	0.8
415.29855	1.6
417.25992	0.6
421.25751	1.8
423.32724	0.7
433.30991	7.7
435.27545	1.1
447.27863	0.8
449.29208	0.9
451.32047	5.8
461.28796	0.6
463.30386	0.9
469.33148	3.1
487.34283	1.0
489.33264	0.8
507.34796	3.8
513.36334	0.6
515.37360	3.7
525.35718	36.1
526.36005	2.3
543.36755	100.0
544.36993	5.4
561.38104	4.4
573.38110	0.8
596.41510	1.0
627.38123	0.7
633.37463	0.6
651.38776	2.9
669.39673	2.2
687.41205	3.0
705.41272	1.7
887.62335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.2
67.05494	59.5
68.05814	0.9
69.03427	5.8
69.07058	15.3
70.04192	0.5
70.10209	0.6
70.10616	1.5
71.01334	0.5
71.04976	3.7
71.08604	0.6
73.02906	6.2
77.03889	0.5
78.04693	0.7
79.05482	45.3
80.05824	0.6
80.06258	1.9
81.03020	0.3
81.03407	12.8
81.07044	52.4
82.03747	0.5
82.04194	3.3
82.07365	0.7
82.07808	0.5
83.01357	0.5
83.04966	8.9
83.08606	11.4
84.02125	0.5
84.05769	0.5
85.02892	18.1
85.06541	2.6
86.23267	0.4
86.50811	0.4
91.03950	9.2
91.05466	32.8
92.05754	0.5
92.06261	0.5
93.07029	45.9
94.07313	0.5
94.07828	1.1
95.04955	15.3
95.08591	38.9
96.04504	0.6
96.05750	0.6
96.08888	0.5
97.02873	10.5
97.06512	7.3
97.10155	10.6
98.07299	4.6
98.20858	0.6
99.04450	1.3
99.08067	2.1
100.05235	0.4
101.06020	0.8
103.03912	0.8
103.05428	0.4
104.06245	0.4
105.04524	1.1
105.07014	22.5
106.07867	0.7
107.04937	4.0
107.08579	28.4
108.05737	0.4
108.09380	0.4
109.02844	1.0
109.06514	4.3
109.10139	20.4
111.04438	1.6
111.08058	5.1
113.05999	0.8
115.03964	0.7
115.05439	1.3
115.07565	0.4
116.04694	11.0
117.05480	0.7
117.07013	8.8
118.07809	0.4
119.08559	18.9
120.09389	0.8
121.06470	2.6
121.10122	19.9
123.08064	4.9
123.11692	5.3
125.09612	13.1
125.10522	0.9
127.03900	3.4
127.11156	0.9
128.06183	0.8
129.05461	26.4
129.06926	5.2
130.05786	0.4
130.07774	0.9
131.08548	14.4
132.09235	0.5
133.06456	0.9
133.10109	15.6
134.10912	0.7
135.07143	0.4
135.07999	1.9
135.11673	13.9
135.12665	0.8
136.08777	1.1
137.09627	2.8
137.13251	1.3
139.07553	0.5
139.11128	0.8
142.07771	0.8
143.07008	5.4
143.08554	1.8
143.10664	1.4
144.06610	0.5
145.04944	3.9
145.10104	9.4
146.10789	0.6
147.08031	1.3
147.11670	10.8
149.09610	3.4
149.13239	6.4
151.11182	1.5
151.14821	0.6
153.09067	1.5
153.12674	0.9
155.08531	1.0
155.10654	0.5
157.08603	12.5
157.10112	6.2
159.11676	6.6
161.09607	0.8
161.13220	4.9
163.06000	3.8
163.11150	3.8
163.14792	2.9
164.11978	0.6
165.12723	1.7
167.06961	0.5
169.10143	1.0
171.06566	1.2
171.10164	4.6
171.11693	1.8
173.09668	0.7
173.11728	1.8
173.13263	4.6
174.00949	0.4
175.11151	3.5
175.14792	2.4
177.12650	0.7
177.16339	0.9
180.08653	0.5
181.12285	1.3
183.11682	0.8
185.08206	0.5
185.11734	1.1
185.13228	1.4
187.14803	3.4
189.11174	6.2
189.12730	0.4
191.10716	0.7
191.14270	0.7
193.12227	9.1
195.11670	0.6
197.13213	0.9
199.09465	0.6
199.13284	3.3
199.14830	0.9
200.14072	1.7
201.14722	0.6
201.16403	1.2
203.14438	0.6
203.18138	0.5
205.16034	0.5
209.11620	1.9
210.12480	0.6
211.13245	7.2
213.12932	0.6
213.14717	0.7
213.16505	0.5
215.14162	0.5
215.17857	0.6
217.14268	0.8
219.14014	0.6
219.17413	0.4
221.13052	0.5
221.15277	0.5
223.14746	0.5
227.12738	8.6
229.14290	2.9
239.16324	0.6
241.14349	0.5
241.19534	0.9
243.21045	3.0
251.20114	0.6
255.15918	1.6
259.20584	2.6
261.22098	12.0
267.15866	7.7
269.17368	0.7
270.37469	0.4
275.20059	0.7
277.21640	6.3
279.19916	0.5
279.23111	0.4
283.15381	3.6
285.16888	3.3
297.22147	0.4
301.16418	59.5
302.16727	1.3
315.23163	2.0
317.24829	2.3
333.24188	1.6
335.25751	71.5
336.26010	3.2
351.25345	2.3
357.23886	0.6
389.26944	1.0
417.30243	0.7
432.28250	0.4
433.30380	0.5
435.32480	0.8
451.32184	0.5
453.33728	0.6
461.29474	0.4
467.30496	0.5
487.34586	0.7
488.64795	0.4
489.36038	1.9
525.36108	0.9
527.37323	6.7
543.36676	4.9
544.37305	1.6
545.38196	3.7
561.37781	100.0
562.38312	6.0
579.39252	2.3
902.36548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.2
67.05495	43.9
69.03421	5.5
69.07059	11.2
71.01339	0.7
71.04976	3.4
73.02909	6.0
74.40369	0.5
76.75546	0.4
77.03902	0.5
79.05484	36.0
80.06279	1.0
81.03403	11.5
81.07045	42.9
82.04190	3.1
83.04967	7.9
83.08612	11.2
84.05737	0.6
85.02893	14.9
85.06532	1.8
87.04450	0.8
91.03953	7.8
91.05466	27.1
93.07032	36.7
94.04135	0.4
94.07830	0.9
95.04510	0.2
95.04951	11.3
95.08592	29.1
96.04492	0.5
96.05763	0.5
97.02877	10.6
97.06519	5.5
97.09569	0.9
97.10155	10.9
98.07294	5.5
98.10493	0.4
98.21468	1.1
99.04446	1.3
99.08062	1.4
101.02349	0.7
101.05987	1.3
103.03951	0.6
103.20109	0.5
104.06245	0.6
105.04510	0.9
105.07016	16.2
105.07724	0.9
107.04933	3.4
107.08581	21.7
109.02872	1.3
109.06510	3.7
109.10140	16.3
111.04403	1.5
111.08080	4.5
111.11697	0.7
113.06020	0.6
115.03889	1.0
115.05457	1.0
116.04694	12.1
117.05489	0.5
117.06993	6.2
119.08566	14.8
121.06481	1.8
121.10130	15.4
121.10976	1.0
123.08051	4.5
123.11704	4.8
125.09621	12.4
127.03934	3.1
127.07570	0.5
127.11201	0.6
129.05467	28.4
129.06909	4.4
130.07756	1.0
131.08553	12.0
132.09261	0.4
133.06514	0.4
133.10109	13.2
135.08020	2.4
135.11678	10.6
136.08771	0.7
136.71233	0.5
137.09593	2.0
137.13258	1.4
139.11143	1.4
142.07831	0.6
143.07019	7.0
143.08594	2.2
143.10686	0.6
145.04933	4.0
145.10103	8.6
147.08034	1.8
147.11664	10.3
147.12721	0.8
149.09610	2.7
149.13254	5.1
151.11169	1.0
153.12733	1.1
155.08546	1.5
157.08588	14.3
157.10092	5.5
159.11642	5.5
160.08879	0.5
161.09631	0.7
161.13220	4.2
163.05971	3.8
163.11157	3.6
163.14796	2.1
164.11905	0.6
165.12743	1.7
167.08513	0.5
169.10222	1.0
171.10152	4.6
171.11694	1.8
173.09599	0.9
173.11731	1.6
173.13258	5.2
175.11192	3.8
175.14810	1.6
177.12784	0.7
177.16373	0.8
179.14223	0.5
181.12238	1.1
183.11740	1.1
185.11674	1.1
185.13281	1.4
187.14824	1.9
189.11195	8.2
189.12822	0.8
189.16452	0.6
191.10582	0.7
193.12202	9.0
195.13821	0.4
197.13234	1.1
199.13286	3.6
199.14871	0.8
200.14014	2.8
201.12967	0.5
201.14790	0.6
201.16457	0.7
209.11719	1.4
210.12349	1.0
211.13229	6.0
213.14719	0.7
217.14258	1.1
227.12718	9.2
229.14285	2.7
239.16405	0.6
241.19452	0.6
243.21106	3.0
255.15891	1.2
259.20569	2.8
261.22095	9.5
267.15869	5.2
275.20087	0.6
277.21609	5.2
283.15271	2.6
285.16983	4.0
285.22046	0.5
299.23724	0.6
301.16415	100.0
302.16718	1.2
315.23151	2.3
317.24661	1.5
327.22845	0.6
333.24249	1.4
335.25754	54.3
336.26102	1.2
351.25253	2.0
379.25809	0.6
389.26907	0.9
433.30441	0.5
453.28439	0.5
487.34158	1.0
489.35388	1.9
527.30035	0.7
527.37305	7.5
543.36377	1.7
545.38300	3.6
561.37787	53.1
562.37775	2.3
579.38666	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.7
67.05494	13.4
69.03425	2.7
69.07053	3.9
70.76715	1.1
71.04987	3.2
73.02900	0.8
79.05481	14.9
79.92570	0.3
81.03403	38.8
81.07042	13.0
83.04955	3.6
83.08604	12.7
85.02888	2.7
85.06501	1.3
91.03908	1.2
91.05461	11.2
93.06428	0.4
93.07026	11.5
95.04953	18.5
95.08589	6.2
97.02876	2.3
97.06496	2.1
97.10152	13.8
99.08070	0.4
103.05370	0.4
105.06325	0.5
105.07014	9.3
107.04940	10.9
107.08576	8.6
109.02823	0.5
109.05822	0.5
109.06499	6.4
109.10131	4.6
111.04397	1.2
111.07393	0.4
111.08060	4.4
115.05395	0.9
117.06990	3.5
119.04881	0.9
119.07738	0.5
119.08564	8.6
120.68392	0.3
121.06490	9.2
121.10121	7.1
123.04420	2.5
123.08041	3.5
123.11654	0.8
125.05978	0.7
125.09612	12.8
127.03876	0.8
128.06187	0.8
129.06987	6.9
131.04926	1.8
131.08545	9.1
133.06480	3.9
133.10107	3.9
135.04411	0.7
135.08029	3.5
135.11635	1.5
137.05978	0.6
137.09584	1.4
139.03836	0.8
139.07477	0.4
139.11101	0.7
141.06932	1.1
142.07729	1.1
143.08530	2.1
143.10579	0.6
145.04851	0.4
145.05199	0.4
145.06465	5.1
145.10094	3.4
147.04372	1.3
147.08034	3.6
147.11661	5.3
149.05966	0.6
149.09601	4.1
151.03854	0.6
151.07468	0.6
151.11105	0.4
153.09096	3.2
153.12688	1.1
155.08516	1.3
157.06445	1.0
157.10092	6.3
159.08070	1.7
159.11641	1.9
161.05930	1.2
161.09552	1.3
161.13217	0.6
163.03802	0.5
163.06064	0.5
163.07536	0.6
163.11121	3.3
165.12712	1.5
167.08536	0.9
167.10637	1.4
169.06415	0.9
169.10088	1.0
171.07990	1.5
171.10158	0.9
171.11615	1.7
173.05995	0.6
173.09534	1.6
173.11719	0.6
173.13190	0.8
175.07564	0.5
175.11157	6.2
177.12675	1.3
181.06392	0.7
181.10107	0.7
183.08031	0.9
183.11638	0.7
185.09566	0.9
185.13159	1.0
186.77609	0.4
187.07448	0.3
187.11099	1.3
187.14735	0.7
189.09174	0.6
189.11165	6.6
189.12752	1.5
191.10692	0.5
191.14243	1.2
193.12207	16.5
195.08130	0.4
195.11618	1.3
197.09564	0.8
197.13197	1.5
199.11125	1.8
199.13184	1.0
201.12733	0.8
202.02040	0.4
202.56352	0.4
203.14314	0.6
205.12192	1.6
207.13828	0.4
209.09511	0.6
209.13321	0.5
211.11226	0.9
211.13266	1.4
213.12767	1.6
213.14627	0.4
215.14261	2.0
217.12155	1.4
219.13693	2.3
223.11212	0.7
223.13216	1.6
225.12732	0.8
225.14755	0.6
227.12521	2.5
227.14658	0.5
229.14136	0.5
231.13751	0.8
233.15327	4.1
235.13223	2.0
237.12718	1.3
237.14870	0.8
239.14305	0.5
241.12021	0.4
241.14157	0.8
243.13715	0.6
245.15288	0.9
249.14879	1.3
255.13753	1.6
257.15359	0.9
259.13284	2.2
261.14926	0.5
267.15869	45.6
268.16190	0.7
271.13315	0.4
271.16898	0.9
273.14771	6.9
275.16391	0.9
281.15359	0.4
287.16272	0.7
289.17798	0.5
291.15872	0.6
293.17392	0.9
309.17035	1.3
321.22089	1.0
325.18045	0.4
331.20505	0.4
339.23306	2.8
349.21622	5.5
357.24014	1.9
367.22626	13.3
385.23694	20.7
386.24173	0.5
399.72476	0.3
403.24677	6.7
405.24081	0.6
413.40924	0.4
441.26358	10.1
459.27365	100.0
460.27667	2.2
477.28406	99.0
478.28763	2.2
491.29990	13.4
501.28342	4.7
509.30960	5.7
513.28308	2.3
519.29163	1.2
531.29321	2.0
541.33881	1.0
543.29431	2.1
555.29590	0.9
567.29614	6.1
573.30780	0.7
585.30139	2.6
586.53595	0.4
603.31561	1.1
621.32574	0.7
871.21204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.7
67.05497	35.0
68.05801	0.4
69.03426	2.1
69.07061	9.3
71.01336	0.9
71.04995	1.9
71.08621	16.2
73.02898	3.1
74.09702	0.3
74.26954	0.4
79.05486	10.7
81.03410	3.6
81.07047	20.4
83.04976	2.8
83.08607	13.1
85.02895	18.2
85.06532	1.9
85.09671	0.6
85.10170	9.9
87.04457	4.5
89.06010	1.2
90.15693	0.3
91.03947	5.3
91.05466	5.4
91.37767	0.3
93.07032	6.0
93.95924	0.4
95.04967	2.2
95.08595	18.5
97.02877	5.2
97.06533	2.1
97.10160	16.0
97.10606	0.2
99.04427	1.0
99.08086	0.4
103.03918	1.7
103.07577	0.9
105.07028	2.2
107.04932	1.4
107.07915	0.5
107.08582	6.8
109.02859	0.9
109.06477	0.5
109.10146	30.3
110.10464	0.5
111.04418	1.2
111.08067	1.9
111.11678	0.8
115.03891	0.4
115.05455	0.4
117.07000	1.3
119.08556	3.2
121.06448	0.4
121.10133	2.9
123.08047	0.8
123.11681	2.4
125.09615	16.1
127.03889	2.1
129.05482	0.3
129.06955	0.6
131.08546	1.9
131.10594	0.3
133.10107	0.8
135.08041	0.6
135.11656	2.5
137.09581	1.4
137.13229	0.7
139.11122	0.5
143.10678	4.0
145.04984	1.8
145.10133	2.3
147.11658	0.6
149.09645	0.9
149.13234	0.8
153.12697	1.2
155.10651	1.8
159.10255	0.4
159.11647	0.6
160.11195	0.7
163.06038	2.6
163.11189	3.1
167.97409	0.3
173.09521	0.7
173.11728	9.7
173.13272	0.5
181.12199	1.2
189.11166	0.8
191.10678	2.1
193.12238	0.6
199.13271	12.5
209.11679	6.0
217.14320	1.3
223.13298	1.2
227.12747	11.4
229.14328	48.6
230.14729	1.0
239.23672	3.9
245.13890	0.5
257.13846	0.8
257.24716	1.8
258.09015	0.6
265.14230	1.7
267.15875	1.9
283.15359	6.2
297.16861	2.8
301.16422	36.0
302.16739	0.8
310.40891	0.4
313.27328	100.0
314.27640	2.8
319.17517	1.7
335.25806	4.3
341.26816	2.1
397.29416	0.7
404.79279	0.4
437.36188	7.1
455.37302	17.3
456.37222	0.7
463.21890	1.2
467.37277	30.3
468.37683	1.7
479.36996	0.6
489.35638	1.1
503.37085	0.6
505.38907	1.9
521.38428	4.3
539.39374	20.4
540.39697	1.2
552.05524	0.4
557.39844	8.0
701.44586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23194	0.4
65.03924	1.6
67.05495	45.7
68.05832	0.7
69.03424	3.7
69.07056	10.6
71.01337	1.0
71.04984	2.6
71.08619	20.2
73.02898	2.8
79.05480	14.0
81.03403	4.5
81.07043	24.8
82.07392	0.4
83.01337	0.3
83.04973	4.3
83.08605	15.3
85.02892	20.6
85.06525	1.9
85.10168	13.1
86.03234	0.4
86.09676	0.4
87.04459	4.2
89.06027	1.9
91.03945	5.5
91.05459	6.4
93.07027	8.9
95.04954	3.7
95.08589	20.6
96.04471	0.5
97.02879	7.7
97.06500	1.9
97.10152	21.0
99.04446	1.0
99.08073	0.7
99.11733	0.6
101.09616	0.4
103.03922	1.1
103.07570	0.8
105.07015	3.0
107.04946	1.9
107.08575	9.8
109.02873	0.5
109.06497	1.0
109.10138	38.2
110.10522	0.6
110.69396	0.4
111.04439	1.7
111.08062	2.0
111.11717	0.8
117.07043	1.8
119.08559	4.3
120.89941	0.3
121.06492	0.6
121.10136	3.4
123.04407	0.6
123.08052	1.0
123.11671	2.8
125.05914	0.3
125.09614	15.4
127.03909	2.9
129.05515	0.3
129.06990	0.9
131.08528	2.1
133.10098	2.1
135.08043	0.4
135.11638	2.4
137.09573	1.8
137.13240	1.2
140.64992	0.3
143.08493	0.3
143.10641	4.0
145.04927	2.3
145.10100	2.4
147.08009	0.6
147.11641	0.7
149.09641	0.7
149.13228	0.6
153.12741	1.5
155.08568	0.4
155.10594	1.9
157.09955	0.3
159.06544	0.4
159.10109	0.5
159.11626	0.6
160.11215	1.0
161.09618	0.6
163.06017	2.4
163.11163	3.3
169.12244	0.4
173.09550	1.1
173.11713	9.7
173.13068	0.4
175.11227	0.4
181.12231	1.1
184.07289	0.5
187.17041	0.4
189.11264	0.9
191.10645	2.0
193.12204	0.7
199.13266	10.9
206.36084	0.4
209.11693	5.4
217.14375	1.1
221.22725	0.5
223.13275	1.4
227.12738	11.9
228.13216	0.4
229.14319	50.3
229.83237	0.4
230.14677	1.1
239.23701	3.2
241.14410	0.9
257.13788	1.3
257.24817	1.7
258.08804	0.7
261.22159	0.7
265.14325	1.1
267.15909	2.3
283.15399	5.9
284.15665	0.4
284.99048	0.4
297.16895	2.8
299.14944	0.6
301.16406	32.9
302.16705	0.8
313.27310	100.0
314.27609	4.7
315.27966	0.4
319.17419	1.3
331.28290	0.6
335.25766	4.9
338.75363	0.4
341.26831	2.3
437.36169	6.6
438.36163	0.4
455.37299	15.3
456.37595	0.6
463.21533	1.0
467.37283	29.6
468.37537	1.4
483.35196	0.4
487.24136	0.4
489.35724	1.7
503.37167	0.7
505.38837	1.9
521.38202	3.6
539.39337	20.0
540.39410	1.0
543.72278	0.4
557.39594	7.1
701.44598	1.7
718.76392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55833	0.6
81.37302	0.6
84.96013	4.5
85.02872	1.1
93.72517	0.7
97.76327	0.7
98.96913	0.8
98.97565	16.4
98.98171	1.4
106.19584	0.6
110.97569	2.4
116.98606	15.4
124.99110	1.1
128.98587	6.4
134.99620	7.2
135.04395	1.2
140.98611	1.9
143.00146	9.2
145.02792	1.1
146.99638	6.0
147.04413	1.0
152.98599	1.0
158.99643	9.8
161.01216	18.4
162.99094	1.5
163.03903	8.8
165.00700	1.2
170.99625	10.2
177.00694	13.0
179.02216	4.4
182.99615	2.8
185.01196	2.5
186.99147	3.8
189.00681	15.8
191.02216	0.9
195.01698	1.4
201.00679	21.8
203.02264	5.2
205.00163	8.9
207.01772	1.8
212.02316	0.8
213.00720	1.0
219.01741	21.2
223.01199	5.3
227.02194	0.8
229.00203	1.4
230.98111	1.2
231.01758	2.5
237.00642	0.7
237.02794	12.1
242.03105	1.1
243.01749	9.7
245.03305	1.1
247.01276	1.9
248.99181	2.9
249.02849	1.5
255.01601	1.0
261.02780	33.3
267.00250	4.4
267.03918	1.4
272.99240	1.7
273.02808	3.3
279.03836	20.8
287.04413	1.9
291.00229	9.4
291.03870	7.1
297.04742	0.8
302.05478	1.7
303.03583	0.9
307.03372	1.1
309.01224	5.4
309.04956	2.1
321.01309	1.0
321.04861	7.9
331.03299	0.9
333.04782	1.3
351.05939	1.6
375.02402	1.8
381.07022	2.4
393.03610	2.9
399.08112	2.7
411.04575	3.0
429.06793	1.3
441.09229	8.1
501.11047	1.4
511.09857	0.9
537.07385	3.2
543.12073	1.0
555.08234	12.6
566.60107	0.8
573.09595	100.0
574.10052	1.6
717.16290	0.9
723.18182	1.2
735.16376	5.1
744.14722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.4
67.05499	9.9
69.03415	1.3
69.07060	5.5
70.48237	0.5
70.48605	1.2
71.01345	0.4
71.04977	1.2
71.08624	16.9
73.02905	1.2
75.04493	0.3
79.05480	5.2
81.03407	48.7
81.07046	12.8
82.03729	0.6
82.07373	0.4
83.04974	2.4
83.08607	17.7
85.02905	4.5
85.06526	1.0
85.09669	0.6
85.10171	10.0
89.06021	1.0
91.03955	3.1
91.04913	0.5
91.05469	8.3
91.06036	0.5
93.07040	3.8
95.04958	15.2
95.08591	13.6
97.02294	0.5
97.02879	3.8
97.06503	0.8
97.10161	3.7
99.04444	0.3
99.08092	0.6
99.11730	0.7
101.06022	0.3
103.03943	0.3
103.07588	0.8
105.07013	6.6
107.04943	3.5
107.08574	2.4
109.02873	0.4
109.06487	1.7
109.10145	6.8
111.04433	1.1
111.08068	4.3
111.11694	0.8
115.05482	0.5
117.07005	0.6
117.09098	0.4
119.04913	0.5
119.08569	7.2
121.06473	1.5
121.10126	3.1
123.04409	1.5
123.08059	0.8
123.11697	2.7
125.09618	0.7
127.03899	1.3
128.06232	0.4
129.06982	5.0
131.08556	5.0
133.06497	1.8
133.10112	2.3
135.08081	0.5
135.11684	0.9
137.09615	0.8
137.13269	0.9
142.07779	1.3
145.04971	1.5
145.06459	0.4
145.10110	1.5
147.04413	0.8
147.08014	2.4
147.11664	4.2
149.09596	3.0
151.14778	0.7
157.10103	7.1
159.11655	0.4
161.06003	0.3
163.06004	2.8
163.11176	1.1
165.12729	1.2
173.09621	0.4
174.05916	0.3
175.11176	6.7
189.05550	0.3
189.12708	0.5
193.12219	22.8
194.12581	0.4
205.12195	0.3
211.13301	1.4
221.22633	0.6
231.13815	0.5
235.13240	1.2
237.14871	0.5
239.23671	1.8
249.14825	1.9
257.24765	2.3
259.13300	1.3
267.15881	99.5
268.16214	3.7
273.14850	0.8
299.18445	0.4
301.14319	2.1
309.16928	2.6
313.27325	100.0
314.27628	4.5
319.15405	1.0
333.16898	0.5
375.17841	0.5
393.18967	0.6
411.19864	0.3
429.21185	0.3
505.38828	80.5
506.39166	7.1
523.39978	4.1
524.40210	0.3
547.39960	6.0
548.39978	0.6
565.40814	1.2
571.39484	0.4
589.40698	1.5
601.40918	3.5
613.41223	1.8
631.42090	2.6
649.42499	1.8
662.02179	0.3
667.43542	0.4
726.73444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03895	0.5
67.05493	12.3
69.03412	2.7
69.07053	6.1
69.55489	0.9
69.55908	2.6
71.04981	2.3
71.08617	13.7
73.02908	2.1
74.77819	0.3
79.05481	9.5
81.03404	27.8
81.07040	16.5
83.04533	0.4
83.04964	6.1
83.08605	14.7
85.02891	18.5
85.06505	1.1
85.10175	8.3
87.04408	0.3
89.05989	0.7
91.03948	5.3
91.05462	12.6
93.07027	7.8
95.04951	11.1
95.08590	13.8
96.04488	0.6
97.02333	0.4
97.02876	5.6
97.06499	2.0
97.10152	5.4
99.04411	0.7
99.08040	0.6
99.11694	0.6
105.06355	0.6
105.07012	9.6
107.04939	3.1
107.08587	2.9
108.88326	0.3
109.06500	2.1
109.10132	5.1
111.04378	0.9
111.08055	5.6
111.11656	1.6
113.05959	1.0
115.05409	0.5
117.06944	0.6
119.04888	0.6
119.07759	0.6
119.08553	8.7
121.06414	1.0
121.09397	0.4
121.10125	5.3
123.07996	1.3
123.11694	3.2
125.09569	0.7
125.13273	0.4
127.03857	2.1
129.06987	4.8
131.08534	5.7
133.06514	0.8
133.10118	6.2
137.09561	0.8
137.13245	0.7
142.07751	1.1
145.04930	2.3
145.10049	0.9
147.08040	1.6
147.10593	0.5
147.11664	7.5
149.09592	3.8
157.10110	7.7
163.05984	2.2
163.11174	0.5
165.12730	1.7
175.11147	7.9
193.12212	25.3
211.13260	37.7
212.13554	0.4
219.10182	0.5
249.14737	0.5
267.15881	15.9
267.26804	0.8
268.16205	0.4
285.16913	58.0
286.17230	0.8
330.61530	0.4
341.30450	56.7
342.30798	1.3
533.41919	14.0
534.41492	0.4
551.42993	100.0
552.43176	2.8
589.66516	0.5
695.47925	0.5
892.54926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.2
67.05489	37.1
68.05830	0.3
69.03411	4.6
69.06689	0.6
69.07052	9.9
70.31261	1.0
71.01338	0.4
71.04976	3.8
73.02898	3.0
77.03940	0.3
79.05473	29.0
81.03399	43.5
81.07037	42.9
81.07541	0.7
83.04962	11.1
83.08600	17.3
85.02883	26.4
85.06498	2.0
87.04442	0.6
91.03934	6.7
91.05458	27.3
92.05772	0.4
93.02087	0.3
93.07024	31.4
93.51781	0.2
95.04945	19.7
95.08583	27.1
96.04430	0.4
97.02867	8.0
97.06516	3.5
97.09206	0.3
97.10150	3.8
99.04424	1.2
99.08079	1.1
102.05482	0.3
103.05481	0.5
105.04478	0.5
105.07005	22.2
107.04926	4.5
107.08565	15.6
109.02867	0.6
109.06490	3.9
109.10125	9.8
111.04417	1.6
111.08051	8.3
111.08818	0.4
113.00353	0.3
113.06013	1.7
113.06787	0.3
113.59353	0.3
115.03905	0.6
115.05425	1.3
116.32162	0.3
117.06991	3.7
117.08295	0.3
119.04901	0.6
119.08553	17.4
121.06471	1.5
121.10116	16.0
122.10559	0.3
123.08044	2.4
123.11677	4.0
125.09589	2.1
127.03876	2.3
127.07531	0.5
128.06218	0.3
129.05518	0.4
129.06973	8.8
131.08537	13.3
133.06445	2.0
133.10097	12.2
135.08052	0.5
135.11659	7.0
137.09624	1.8
137.13249	1.2
139.11154	0.7
141.06863	0.4
142.07747	1.6
143.08542	1.0
145.04922	2.7
145.10089	6.2
147.08011	2.4
147.11650	13.5
147.92931	0.3
149.09592	4.5
149.13229	3.8
151.11162	0.8
153.12764	0.4
155.08511	0.6
157.10095	11.2
159.11632	3.1
161.13240	2.2
163.05969	3.0
163.11153	1.2
163.14825	1.3
165.12747	2.7
166.15633	0.3
169.10109	0.5
171.11629	1.1
173.13208	3.2
175.11145	11.2
175.14798	1.2
177.12572	0.3
177.16351	0.5
180.08678	0.3
181.12213	0.3
183.11682	0.6
184.07352	0.3
185.13197	0.4
187.14783	1.1
189.11276	0.4
193.12199	33.0
194.12630	0.4
197.13243	0.5
199.14784	0.4
201.16389	0.5
205.15877	0.3
211.13246	53.5
212.13681	0.5
213.14819	0.3
215.17905	0.3
227.12732	1.2
229.14293	0.5
233.22594	0.3
239.18033	0.4
243.21002	2.2
249.14842	0.3
259.20447	0.6
261.22070	8.1
265.14285	0.3
267.15842	12.5
269.17374	0.5
283.15289	0.5
285.16898	67.7
286.17166	0.8
299.23602	0.4
301.25113	0.6
303.23492	0.3
317.24771	2.2
335.25720	56.5
336.26096	1.0
353.26813	0.4
353.42960	0.3
359.25858	0.6
360.13766	0.3
402.36298	0.3
417.31253	0.6
435.32455	2.4
453.33597	2.5
471.34622	1.2
509.36459	0.9
517.38116	0.3
527.37183	14.7
545.38251	100.0
546.38751	2.2
563.39319	1.1
689.41370	0.4
755.40704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.4
67.05492	32.6
68.05816	0.3
69.03418	3.2
69.07055	8.8
71.04978	3.0
72.29846	0.2
73.02899	2.4
77.03926	0.5
79.05476	27.2
81.03402	30.5
81.07040	35.7
82.03734	0.5
82.07384	0.4
83.04966	8.0
83.08603	14.5
85.02888	18.1
85.06533	1.5
86.27987	0.2
87.04450	0.6
90.98339	0.2
91.03943	4.9
91.04532	0.4
91.05460	24.2
93.07027	29.1
94.07328	0.3
94.81816	0.3
95.04034	0.3
95.04322	0.4
95.04949	14.2
95.08586	23.6
97.02866	5.5
97.03472	0.4
97.06512	3.2
97.10146	3.9
97.10725	0.3
99.04459	0.5
99.08067	1.0
103.05447	0.3
105.04478	0.4
105.07011	17.6
107.04925	2.9
107.08573	14.1
107.69181	0.2
108.08859	0.2
109.02839	0.6
109.06505	2.5
109.10131	9.7
111.04429	1.2
111.08061	5.9
111.11678	0.4
113.05993	1.3
113.09618	0.3
115.03876	0.3
115.05454	0.8
117.06998	3.9
119.04902	0.4
119.08558	15.4
121.06489	0.8
121.10118	13.8
123.08057	2.0
123.11685	3.2
125.05979	0.3
125.09619	1.5
127.03868	2.1
127.07536	0.4
128.06235	0.5
129.05446	0.8
129.06982	6.2
131.08542	10.3
133.06476	1.6
133.10107	10.3
135.08058	0.8
135.11670	5.9
137.09579	1.6
137.13226	1.0
142.07733	1.5
143.08545	0.8
145.04929	1.8
145.10088	3.9
147.08020	1.7
147.11650	10.7
149.09581	4.1
149.13219	3.4
151.11154	0.7
155.08516	0.5
157.10104	8.3
159.11664	2.9
160.35759	0.3
161.13206	2.3
163.06013	2.3
163.11151	1.1
163.14818	1.8
165.12700	2.0
171.11636	0.5
173.11787	0.5
173.13187	2.2
175.11154	7.7
175.14790	1.0
177.16338	0.5
181.10193	0.3
185.13298	0.4
187.14767	1.5
189.11241	0.3
193.12210	21.0
197.13223	0.4
199.13226	0.3
199.14868	0.3
201.20596	0.3
209.13213	0.4
211.13252	29.9
212.13568	0.4
221.15608	0.3
227.12759	0.9
229.14374	1.1
233.22743	0.4
243.21007	2.5
249.14725	0.3
257.70123	0.2
261.22107	8.1
262.22482	0.3
267.15863	10.1
269.17145	0.4
279.23145	0.4
283.15408	0.5
285.16904	41.1
286.17163	0.3
291.19370	0.3
300.46179	0.2
301.16330	0.7
301.25156	0.5
317.24728	1.8
335.25739	58.6
336.25998	1.2
369.23642	0.2
387.35562	0.3
417.31543	0.3
435.32489	1.6
453.33405	1.7
455.26303	0.4
471.34540	0.9
496.48480	0.2
509.36008	0.6
527.37231	12.7
528.36743	0.4
545.38275	100.0
546.38538	2.4
563.39453	0.9
689.41846	0.9
861.85236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03892	1.5
67.05493	31.8
69.03399	2.3
69.07051	7.0
70.03957	2.4
70.04356	0.9
71.01330	0.9
71.04978	3.6
71.08620	1.0
73.02891	4.0
79.05477	28.6
81.03403	10.0
81.07038	36.9
83.00922	0.5
83.01324	6.0
83.04965	7.5
83.08605	11.1
85.02887	17.8
85.06499	1.6
85.10121	0.7
85.41288	0.5
87.46518	0.4
91.03934	9.5
91.05463	17.0
93.07025	36.6
95.04401	0.6
95.04947	7.6
95.08588	28.0
96.04454	0.5
97.02871	10.2
97.06512	4.0
97.10152	3.8
98.20787	0.9
99.03844	0.4
99.04424	2.7
99.08035	1.3
103.05422	0.8
104.76334	0.4
105.06343	0.8
105.07010	13.8
107.04931	5.2
107.08569	21.6
109.02849	1.1
109.06497	4.7
109.09400	0.6
109.10135	11.4
111.04390	1.9
111.08065	2.6
111.11663	0.6
115.03886	0.6
115.05413	0.7
117.06995	8.4
119.07746	0.8
119.08557	13.0
120.47398	0.4
121.06501	2.5
121.09263	0.9
121.10122	16.3
123.04411	0.8
123.08047	7.0
123.11685	3.5
125.05916	1.2
125.09616	3.9
127.03891	3.8
129.06958	1.5
130.07732	1.0
131.04857	0.5
131.08540	8.0
133.10110	6.5
135.08029	2.1
135.11662	16.1
137.09557	1.8
137.13205	1.4
139.11169	0.6
143.08534	1.5
145.04930	4.8
145.06409	0.6
145.08963	0.9
145.10092	15.8
147.08002	1.0
147.11659	4.3
149.09564	0.9
149.13225	4.7
153.12701	2.1
155.08521	1.4
157.10081	1.0
159.11682	3.7
161.13199	2.8
163.06000	6.0
163.11156	18.1
163.14771	2.7
169.10115	0.7
171.11664	1.0
173.09608	3.0
173.11967	0.6
173.13263	4.1
175.14798	1.8
175.33569	0.4
179.14407	0.4
180.08607	0.6
181.12247	3.1
183.11552	0.9
185.13150	0.8
187.14771	1.8
189.11130	2.2
191.10611	1.9
191.92836	0.4
193.12216	1.7
193.44887	0.4
195.78119	0.5
199.14700	0.6
201.16335	0.6
205.15918	0.8
209.11702	5.4
211.13231	1.5
227.12743	11.7
241.19591	0.7
243.21022	4.7
259.20499	1.6
261.22098	13.3
267.15857	4.3
268.16190	1.6
269.16425	0.6
273.22076	1.2
275.19965	0.7
277.21558	1.1
279.23233	0.7
283.15350	100.0
284.15509	0.9
285.16870	1.8
297.22205	1.0
299.23627	4.2
301.21448	0.8
313.27322	1.9
314.27573	1.5
315.23050	0.7
317.24722	4.5
333.24323	2.7
335.25735	68.0
336.26102	0.7
374.08264	0.5
415.29944	1.0
433.31024	2.2
451.31979	4.0
469.33127	3.8
487.34015	1.5
489.32330	0.6
503.33755	0.6
505.38837	0.8
506.39157	1.2
507.33673	0.6
507.40027	0.8
515.37439	1.3
525.35608	8.3
543.36719	67.0
544.36865	1.4
561.37732	7.4
767.36493	0.4
935.44861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69878	0.4
65.03890	1.6
67.05494	48.2
69.03419	4.0
69.07056	11.6
71.01316	1.1
71.04975	3.8
71.08591	1.8
71.81321	0.6
71.81701	0.6
73.02907	4.9
77.03887	0.6
79.05480	39.8
81.03406	12.8
81.07043	52.4
83.01334	7.4
83.04965	11.5
83.08607	14.3
85.02892	20.0
85.06532	2.2
91.03946	11.4
91.05462	27.0
93.07030	53.2
95.04396	0.7
95.04951	9.9
95.08591	37.9
96.04454	0.9
97.02875	11.9
97.06505	4.9
97.10154	5.1
99.04449	3.6
99.08073	1.1
103.05404	0.7
105.04520	0.8
105.07009	18.0
107.04227	0.6
107.04939	7.8
107.08575	30.0
109.02815	1.2
109.06499	7.2
109.10137	15.6
110.60566	0.4
111.04422	2.6
111.08095	3.5
111.11679	0.6
113.01959	0.5
115.03862	0.8
115.05391	0.8
117.07000	11.0
118.47266	0.4
119.08556	16.5
121.06487	3.0
121.10125	21.3
123.07246	0.6
123.08064	7.8
123.11671	5.6
125.05979	1.2
125.09629	3.8
127.03905	4.2
129.07004	2.2
130.07738	1.3
131.07642	0.8
131.08551	12.3
133.06447	0.7
133.09158	0.8
133.10103	10.5
135.08038	2.8
135.11674	19.7
137.09627	2.2
137.13203	1.9
139.07513	0.5
139.11130	1.2
143.08568	2.3
144.06526	0.6
145.04898	4.0
145.06396	1.3
145.10101	22.0
147.08005	1.9
147.11670	6.3
149.09596	0.8
149.13242	6.5
151.11118	1.1
151.14801	0.5
153.12704	4.3
155.08470	1.9
157.10071	2.0
159.11681	6.9
161.13251	4.6
163.06027	6.6
163.11163	21.3
163.14796	3.6
169.10088	0.8
171.11620	1.6
173.09628	2.9
173.13228	4.9
175.11223	0.8
175.14751	1.6
177.12808	0.6
177.16357	1.0
180.08647	0.9
181.10100	0.4
181.12186	3.0
181.38156	0.5
183.11644	0.7
185.13139	1.3
187.14825	3.8
189.11168	2.2
191.10629	3.0
193.12187	1.8
194.82240	0.5
197.13185	0.9
199.14766	0.8
201.16335	1.5
208.84331	0.5
209.11655	5.1
211.13205	1.8
211.14951	0.7
215.17928	0.8
219.17378	0.7
223.14745	0.4
227.12744	12.2
233.22516	1.0
241.19446	0.5
243.21074	6.1
245.13689	0.7
259.20453	1.8
261.22101	19.0
267.15909	3.8
268.16159	1.3
273.22043	1.1
277.21710	0.7
279.23065	0.7
283.15363	94.2
284.15723	0.7
285.16830	0.8
299.23651	6.4
313.27396	1.6
314.27686	2.0
315.23035	0.5
317.24655	5.5
333.24255	2.8
335.25751	91.7
336.26245	0.8
357.24365	0.9
415.29645	0.9
421.26114	0.5
433.30893	2.0
451.31937	4.0
469.33191	3.4
487.34052	1.5
505.38693	0.8
506.39154	1.1
507.40402	0.7
515.37219	1.7
517.34656	0.7
525.28040	0.5
525.35614	9.0
543.36743	100.0
544.37274	1.9
561.37799	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	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	1.2
67.05494	34.0
69.03419	1.8
69.07054	9.3
71.04976	2.1
71.08598	0.5
71.81079	0.6
73.02866	1.1
79.05479	27.4
80.05790	0.3
81.03392	2.3
81.07041	35.9
83.04964	3.0
83.08604	6.7
85.02897	4.0
85.06495	1.4
91.03969	2.3
91.04452	0.6
91.05460	12.0
93.07028	37.9
95.04423	0.4
95.04957	6.0
95.08587	40.0
97.02867	3.6
97.06517	2.9
97.10155	1.7
99.04440	2.6
99.08050	0.7
103.05442	0.6
105.04420	0.4
105.06351	0.5
105.07012	9.3
105.07708	0.6
107.04932	5.3
107.08572	24.8
109.06488	2.5
109.10134	11.2
111.04381	1.0
111.08042	1.7
111.11655	0.6
113.05947	0.7
113.09644	0.6
117.06999	7.2
119.07756	0.7
119.08553	10.0
121.06480	3.5
121.10121	15.1
123.08014	1.4
123.11686	2.7
125.05935	1.9
125.09567	0.9
127.03873	0.9
127.07455	0.4
129.05467	0.4
129.06966	0.7
130.07765	0.6
131.08546	5.5
133.09172	0.5
133.10106	5.9
135.08105	1.8
135.11668	33.9
137.13194	0.8
139.07468	1.2
143.08521	1.1
145.04930	0.6
145.10095	22.8
147.07988	0.6
147.11653	2.6
149.09573	0.8
149.13228	3.6
153.12683	0.8
157.10092	0.4
159.11670	2.5
161.13235	2.0
163.11154	42.5
163.14769	1.6
164.11365	0.4
171.11650	0.4
173.09543	0.8
173.11809	0.4
173.13208	1.9
175.14767	0.6
177.12799	0.4
177.16309	0.6
179.14342	0.4
181.10680	0.6
181.12196	8.1
184.07274	0.5
187.14746	1.3
201.16389	0.6
209.11627	0.8
227.12741	42.0
229.14430	0.4
243.20990	2.5
261.22110	8.2
267.15787	0.6
275.20050	0.5
283.15347	54.6
291.19516	0.5
299.23685	0.5
313.27286	0.5
317.24713	2.1
335.25739	95.8
336.26065	1.1
372.90549	0.4
385.42734	0.3
446.89355	0.4
469.33185	0.5
487.35062	0.3
492.00827	0.4
508.78162	0.4
525.35712	0.7
543.36725	100.0
544.36993	2.3
561.37860	1.5
705.41754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.0
67.05495	47.5
68.31538	0.6
69.03422	8.6
69.07061	8.1
70.14841	3.5
71.01330	2.0
71.04987	5.9
73.02914	5.2
77.03909	0.9
78.37514	0.7
79.05482	35.8
80.06257	0.7
81.03405	95.0
81.07043	32.0
81.07401	0.5
81.07538	0.7
82.03753	1.2
82.04184	4.1
83.01328	0.7
83.04966	20.8
83.08103	1.0
83.08608	28.6
85.02898	11.3
85.06525	3.0
87.04464	3.3
91.03947	5.9
91.05465	35.2
93.07034	27.8
94.04173	1.1
95.04954	39.3
95.08591	14.0
96.58411	0.6
97.02879	9.8
97.06526	8.8
97.10154	16.7
98.07295	3.8
98.20719	1.3
99.04434	2.5
99.08086	2.3
101.05994	1.2
103.03905	0.8
103.05462	1.3
105.07011	22.3
107.04937	19.7
107.08583	18.0
109.02859	1.4
109.06483	6.5
109.10138	21.5
111.04421	12.6
111.08067	14.8
113.06006	1.2
115.05431	3.1
116.03918	1.0
116.04694	13.7
117.05461	3.2
117.07003	6.9
119.04903	2.2
119.08563	22.8
119.44119	0.7
121.02866	6.0
121.06496	7.2
121.10126	11.9
123.04428	3.6
123.08054	6.6
123.11627	0.9
125.05962	1.7
125.09608	18.9
127.03901	1.7
127.11185	1.3
128.06165	1.0
129.05467	28.8
129.06950	12.2
131.04919	2.1
131.08554	13.9
133.06474	4.9
133.10115	11.4
135.04373	5.0
135.08041	5.0
135.11668	12.2
137.02274	0.7
137.06006	1.3
137.09573	4.0
139.03885	1.6
139.07549	1.3
141.06956	1.4
142.07727	2.8
143.07022	6.2
143.08537	1.6
143.10672	1.6
145.04918	1.8
145.06467	2.1
145.10106	8.2
147.04376	2.5
147.08018	5.9
147.10562	1.4
147.11662	14.5
149.05949	1.7
149.09578	8.9
151.03816	1.0
151.11092	0.8
153.09102	2.4
153.12724	20.2
155.08510	1.9
155.10648	1.8
157.08585	12.8
157.10101	16.7
159.11652	1.9
161.05983	1.3
161.09636	1.6
163.06012	2.1
163.07489	0.8
163.11160	20.4
165.12766	3.6
169.10019	1.3
171.06487	1.2
171.07953	1.2
171.10149	5.7
171.11528	1.5
173.09581	3.5
173.11693	6.9
173.13245	2.0
175.07471	0.7
175.11162	16.1
177.66475	0.7
181.12199	17.8
183.11659	2.9
185.11650	1.6
185.13200	1.7
187.03728	0.7
189.05426	0.7
189.09340	0.7
189.11189	16.2
189.12827	1.4
191.10655	12.6
191.12262	0.5
193.12218	41.8
194.12480	0.8
195.11601	0.8
199.13258	6.8
200.14018	2.4
201.12718	4.4
201.14819	3.2
203.10619	0.7
203.14250	1.8
205.12233	2.4
209.11687	11.7
210.12392	0.8
211.11247	1.2
211.13258	16.9
212.13554	0.7
213.12857	0.9
219.13737	5.2
221.15453	0.7
223.13219	1.3
225.14687	0.7
227.12743	55.4
229.12218	2.4
229.14304	26.9
231.13751	2.1
232.14554	1.0
235.13324	1.2
237.14909	0.8
245.13754	1.4
247.13272	36.8
248.13641	1.2
249.14789	5.6
255.15878	3.0
259.13202	3.4
265.14319	4.0
267.15878	100.0
268.16278	4.1
273.14795	1.6
277.14346	1.3
283.15369	30.9
285.16959	7.1
289.14432	0.9
301.16443	39.1
302.16916	1.0
309.17007	1.6
311.22302	0.8
313.16370	1.0
321.16895	11.2
337.21552	1.2
339.17902	3.5
355.22562	1.9
363.21185	0.9
365.20941	1.5
373.23703	0.8
383.22205	7.1
399.23596	2.0
401.23154	3.9
409.25867	1.5
419.24109	1.3
421.25848	3.8
432.06805	0.7
439.26996	11.9
447.27206	1.1
457.25659	4.1
458.26401	3.0
459.27380	2.9
475.26889	28.6
476.27454	6.3
477.28311	1.7
493.27914	40.1
494.28165	2.0
517.27844	1.0
525.30652	7.6
535.28967	1.1
543.31519	2.3
599.79907	0.8
601.29742	1.2
619.30573	0.9
637.31610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.4
70.50967	4.9
79.63010	1.1
82.99856	1.9
85.02888	2.1
89.03909	2.4
97.02861	3.0
98.97572	2.6
101.00871	4.1
109.02879	1.2
116.98621	3.1
117.03339	3.2
119.01904	17.1
127.02401	2.5
127.03756	1.2
128.98553	1.1
131.01889	6.9
134.99648	1.5
135.04326	5.2
136.04807	1.3
137.02913	4.6
141.03922	1.6
142.31610	1.1
142.39009	1.1
143.00108	1.6
143.01865	11.1
145.00769	1.9
145.03560	16.2
145.04700	1.5
146.99622	1.7
147.04379	5.2
149.02948	2.7
155.01881	8.7
157.03459	3.2
159.05040	7.6
160.01279	2.0
161.01558	2.0
161.02933	20.7
163.03845	70.3
164.04216	8.3
166.01257	2.6
167.01880	3.4
168.05136	1.3
169.01941	2.2
169.03419	20.6
171.01366	1.4
171.05029	6.3
173.02940	15.1
175.04417	1.1
177.00665	3.3
178.01294	1.7
179.01996	3.2
181.01912	1.1
181.03426	2.8
181.52094	1.1
184.01218	1.2
185.01299	2.1
185.02919	24.4
186.03049	1.2
187.04488	42.1
187.06183	2.1
189.00673	2.8
189.02419	7.2
190.02588	1.2
191.03990	2.3
193.01732	2.0
196.02296	1.4
196.04372	1.9
197.02916	11.7
199.04465	10.2
201.00674	4.2
201.02341	1.3
203.02197	2.0
203.03947	10.1
207.03476	1.6
208.04539	1.4
210.06224	1.4
211.02768	1.6
211.04541	6.4
213.02327	5.4
213.06116	1.5
214.02412	1.1
215.00357	2.1
215.03990	10.0
219.01767	4.1
221.02943	2.6
221.04991	2.3
223.04521	1.7
225.02391	2.5
227.03918	5.6
229.05513	2.7
231.01596	1.7
231.03484	15.5
232.03307	2.0
237.02740	2.8
238.52353	1.4
239.04071	2.1
243.00197	1.7
243.03444	1.5
245.05035	60.6
246.05383	2.6
247.02827	2.0
251.02597	1.6
253.05498	1.5
255.01540	2.7
256.03351	4.7
256.53412	3.5
257.01132	2.2
257.05362	1.6
261.02872	5.3
262.03357	2.4
263.06180	7.9
270.99747	2.2
271.03976	1.5
271.06491	5.5
273.02701	3.1
274.03281	1.4
275.02469	33.5
275.06061	18.7
277.03900	2.9
279.03830	5.0
280.04346	1.5
287.02405	9.1
287.05655	2.0
293.03452	11.2
293.06985	3.5
298.04434	3.8
298.54419	3.5
304.04425	1.8
305.03482	3.6
305.07120	6.9
307.04611	3.4
313.00708	1.5
319.05182	2.3
319.55182	1.4
321.04941	2.7
328.05743	5.3
328.55490	2.4
333.06451	1.4
335.04501	5.4
335.08237	4.2
343.05963	1.8
349.06189	1.6
349.56100	1.4
358.06351	2.6
358.56464	1.3
359.04846	2.7
365.09253	10.1
366.09430	1.4
368.08356	1.3
377.05502	15.9
378.07355	1.5
379.07016	5.7
379.57190	7.9
380.07330	5.4
385.05927	1.9
385.55930	3.9
386.05969	2.5
388.07611	6.2
388.57632	5.6
389.07413	3.2
389.58426	1.4
394.56662	2.3
395.06613	27.5
396.07779	1.2
409.08408	1.6
413.07495	1.5
425.11411	10.1
430.07306	3.2
430.57614	3.4
437.09085	3.6
438.09354	2.0
439.09238	2.0
442.08813	1.4
445.58014	5.8
446.08252	2.0
453.06601	1.5
455.12006	1.7
469.09656	3.0
469.60306	3.4
475.08948	2.7
475.59409	7.6
476.09000	3.1
476.59750	1.5
485.13358	3.5
539.11292	5.1
540.10065	1.3
556.11487	4.6
556.62170	5.4
557.11713	100.0
558.11981	5.9
573.09552	1.8
652.05194	1.5
719.16925	3.9
735.16455	5.7
736.16040	3.0
767.40710	1.3
773.44281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12669	0.2
65.03905	0.7
67.05495	13.5
69.03419	3.8
69.07059	7.0
69.46376	3.0
70.04178	0.4
71.01318	0.6
71.04977	1.3
71.08623	13.0
71.09009	0.4
73.02905	4.7
75.04456	0.3
77.03841	0.3
79.05483	8.1
80.06245	0.5
81.02966	0.4
81.03407	5.5
81.07046	13.2
82.04199	2.4
83.04968	5.5
83.08611	8.5
84.02071	0.5
84.05735	0.4
85.02890	8.9
85.06503	0.7
85.10171	8.0
87.04436	0.7
89.05982	1.0
91.03944	6.4
91.05467	6.3
93.07036	6.3
94.04161	0.3
94.07790	0.4
95.04947	6.0
95.08591	11.4
96.05695	0.3
97.02882	7.4
97.05980	0.2
97.06520	3.4
97.10161	9.1
98.06772	0.3
98.07302	3.8
99.04446	0.6
99.08044	0.8
99.11715	0.5
100.05159	0.4
101.05965	1.1
103.03930	0.4
103.07520	0.8
104.06177	0.3
105.07010	3.2
106.07814	0.3
107.04938	1.7
107.07941	0.4
107.08579	4.8
108.05717	0.4
109.02828	0.5
109.06508	1.4
109.09438	0.5
109.10139	7.1
110.07270	0.5
111.04400	0.8
111.08051	2.2
111.11660	0.7
113.06004	0.4
114.05558	0.2
115.03878	0.4
115.07538	0.3
116.04687	7.9
117.05486	0.3
117.06998	1.5
119.08560	2.9
120.09250	0.3
121.06463	0.7
121.10125	1.5
123.04353	0.5
123.08058	2.4
123.11693	2.0
125.09615	7.8
126.10354	0.4
127.03894	2.3
127.07487	0.4
127.11146	0.9
129.05460	21.9
129.06831	1.6
130.07771	0.3
131.08562	1.9
133.10126	2.7
135.07999	1.1
135.11662	1.9
136.08783	0.6
137.09573	1.1
137.13188	0.8
143.05989	0.4
143.07025	5.4
143.10605	0.8
145.04950	2.4
145.10104	1.2
147.08014	0.5
147.11659	1.8
149.09547	1.0
153.09044	0.9
153.12711	0.5
157.08543	10.3
157.10049	2.0
158.05701	0.7
163.06006	3.3
163.11189	1.7
164.11937	0.4
165.12706	0.7
165.16339	0.3
167.06912	0.3
171.06543	1.5
171.10123	3.7
173.09610	0.3
173.11646	0.5
175.11148	1.5
181.12308	0.7
185.07999	0.8
185.11678	1.0
189.11188	6.4
191.10583	0.4
192.11397	0.5
193.12225	1.7
199.13281	2.7
200.14046	2.1
200.78418	0.3
209.11699	1.1
210.12387	1.0
211.13257	1.2
213.11183	0.6
227.12740	8.6
229.14285	1.0
239.23621	1.8
255.15817	2.2
257.24738	1.7
265.14374	0.3
267.13263	0.4
267.15894	4.7
269.17395	0.4
283.15399	2.3
284.16113	0.6
285.16815	0.3
298.27402	0.3
301.16415	100.0
302.16687	1.0
311.22110	1.0
313.27325	66.1
314.27798	1.3
320.79123	0.3
331.28375	0.5
353.26569	0.3
367.28458	2.9
381.29865	0.6
395.31482	1.1
409.33142	0.4
437.36053	0.6
438.36990	1.2
440.50281	0.3
455.36853	0.4
463.22214	0.3
467.37201	1.3
494.39413	0.3
496.33783	0.3
505.38855	4.3
521.38422	2.2
522.39313	1.8
523.39929	0.6
528.34265	0.3
539.39368	74.2
540.39691	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	0.6
67.05495	19.2
69.03409	3.1
69.07054	6.9
71.04961	1.2
71.08620	15.6
73.02901	4.2
79.05481	9.6
80.06233	0.5
81.03408	6.2
81.07044	18.9
82.04161	1.8
83.04535	0.5
83.04971	6.3
83.08612	9.4
85.02888	12.6
85.06487	1.4
85.09698	0.6
85.10165	9.9
87.04443	0.8
89.05985	1.5
91.03480	0.4
91.03942	6.0
91.05470	6.8
93.07032	11.9
94.07802	0.7
95.04428	0.6
95.04956	7.2
95.08591	15.4
97.02876	8.2
97.06512	3.4
97.10156	8.9
98.07322	2.2
99.04412	1.6
99.08031	0.6
103.07502	0.5
105.07014	4.0
107.04941	4.1
107.08585	6.0
109.02803	1.0
109.06450	1.3
109.09456	0.6
109.10137	9.9
111.04424	5.1
111.08027	2.1
111.11668	1.5
112.29876	0.5
113.05945	1.1
115.03876	0.6
116.04699	4.7
117.06998	3.1
119.08569	4.2
121.06428	1.0
121.10130	4.2
123.04343	0.8
123.08028	2.3
123.11674	3.5
125.05939	0.9
125.09618	5.4
127.03920	3.4
127.11156	0.8
129.05460	9.8
129.06952	1.5
130.07741	0.6
131.08543	3.7
133.10069	2.1
135.08022	1.2
135.11671	5.7
137.09546	1.3
137.13210	1.4
143.07025	3.0
145.04951	3.5
145.10118	4.7
147.08032	1.0
147.11636	2.0
149.09561	1.8
151.14815	0.6
153.12674	0.6
155.08485	0.8
157.08549	5.0
157.09970	1.2
158.05756	0.5
163.05997	3.9
163.11174	6.4
165.09081	0.5
165.12735	0.7
165.16434	0.5
171.06485	1.7
171.10120	1.0
173.09541	1.9
181.12137	1.6
184.07341	0.6
185.08119	0.7
189.11232	2.9
191.10663	3.8
193.12164	1.5
199.13260	2.0
200.14015	1.1
209.11688	8.3
210.12320	0.5
211.13200	0.6
213.11208	0.5
217.14220	0.6
226.04678	0.5
227.12717	7.3
229.14336	0.7
239.23640	3.0
255.15831	3.5
257.24762	1.9
265.14447	0.8
266.33459	0.5
267.15744	3.2
283.15372	55.7
298.27362	0.6
301.16422	40.9
311.22214	1.3
313.27319	87.4
314.27567	1.8
341.14993	0.5
364.72626	0.6
367.28470	4.2
381.30035	0.7
392.86316	0.6
395.31650	2.0
437.36462	0.5
438.37030	1.3
455.37756	0.6
467.37604	1.0
494.39261	0.6
505.38928	4.0
521.38318	33.3
522.39008	2.3
539.39368	100.0
540.39648	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	896.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.9
68.84061	0.8
69.03431	0.8
69.07059	32.6
71.04987	1.7
79.05478	2.0
80.05003	20.9
80.05456	1.3
81.07047	6.0
83.01363	2.5
83.08613	2.0
91.05476	2.4
93.07025	7.9
95.04971	1.5
95.08617	2.0
97.10189	0.8
98.64541	0.7
105.07058	3.0
106.02898	1.8
107.08585	7.2
109.06544	1.2
109.10146	7.2
111.11730	2.2
113.06030	1.5
119.08565	1.8
121.06471	4.3
121.10085	1.2
122.10912	1.1
123.11707	5.9
123.12535	0.8
129.07054	1.0
131.08574	1.4
133.06531	0.9
133.10107	5.5
135.08057	3.0
135.11678	6.8
137.05965	1.4
143.08553	1.7
145.06503	1.1
145.10152	1.5
147.04396	0.9
147.08095	1.3
149.05949	1.9
149.09628	2.1
151.07567	1.1
153.05482	2.8
159.08032	4.2
159.11624	0.9
161.06030	2.4
161.09587	6.7
162.06783	2.2
163.07536	5.5
165.05460	10.7
165.09192	1.3
171.08064	1.8
173.09642	2.5
175.07602	2.7
177.05441	12.5
177.09074	8.6
177.12840	0.8
179.03427	8.6
179.07004	3.0
187.07616	3.3
187.11316	1.3
189.05492	1.7
189.09082	21.4
191.03423	6.7
191.04889	0.7
191.05440	1.1
191.06987	7.5
191.10689	2.3
192.07823	1.6
193.04971	4.0
193.08571	4.0
197.04477	4.9
199.07602	1.8
200.08325	0.8
201.09175	1.5
201.12755	0.8
202.06287	1.1
203.07027	6.5
203.10699	1.9
205.08569	47.7
207.10204	3.7
208.77225	0.7
211.09715	1.8
213.09154	0.8
215.07141	0.9
215.10678	2.7
216.07980	1.2
217.08568	26.4
217.11998	1.3
219.06717	1.2
219.10130	12.6
219.12164	1.1
221.08113	7.9
221.11848	2.5
223.09615	44.1
227.10767	1.4
229.08679	2.8
229.12352	1.5
231.10143	5.5
231.13893	1.2
233.08202	1.5
233.11679	6.7
234.08948	1.2
235.09619	50.8
236.10199	0.8
237.11246	3.4
240.06584	2.2
241.12428	1.4
243.10173	10.1
243.12680	0.8
243.13832	1.4
244.06148	0.9
244.10939	1.8
245.07014	1.2
245.11818	3.4
246.07530	1.0
247.09702	2.4
249.11230	1.1
253.14487	1.2
256.06128	3.1
257.06775	1.5
257.11850	2.5
258.07581	69.4
259.08105	2.5
259.13303	8.5
261.11212	15.2
263.12933	2.6
269.15207	1.5
271.13098	3.8
273.14832	1.2
275.12875	2.5
275.16528	3.7
277.14334	15.0
277.17090	1.1
287.13101	1.7
287.16370	15.9
289.14365	6.5
296.09320	4.1
300.13742	0.8
303.15936	3.7
305.17313	7.2
325.18097	1.1
325.21640	1.7
326.13840	22.1
327.14182	0.9
327.19553	5.2
336.12427	3.4
343.18918	2.9
343.22849	10.5
345.20575	28.3
345.24835	1.4
346.20993	1.1
357.20670	2.8
361.20099	6.7
363.21600	100.0
364.22162	2.3
375.21829	2.1
378.17407	1.5
379.17816	5.1
380.18564	11.6
397.19208	0.9
398.19662	2.1
413.26859	5.0
431.27893	17.4
431.33585	1.2
440.29877	0.9
448.24777	14.8
453.26221	1.2
454.25970	1.0
465.26205	2.9
466.25989	16.8
485.47955	0.9
560.23499	1.2
632.28717	1.5
682.33453	2.4
700.34711	5.5
756.40924	39.9
757.41522	2.4
758.38715	1.2
878.51990	19.3
878.69177	1.2
896.52948	39.6
897.53131	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	888.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22421	1.0
65.03936	5.2
67.05495	100.0
68.05042	1.2
68.05815	1.1
69.03424	9.9
69.07057	43.0
69.07439	2.1
70.06562	1.3
71.01334	1.8
71.04981	17.5
71.78716	1.2
73.02897	2.5
79.05480	67.0
81.03409	17.3
81.07045	96.4
82.06570	2.3
82.07374	1.8
83.04971	14.5
83.08607	19.8
84.04492	4.5
85.02877	7.2
85.06534	6.8
86.09697	1.5
87.04457	1.6
91.03954	1.6
91.05469	60.9
92.05788	1.5
92.82423	1.2
93.07031	75.9
95.04952	20.1
95.08595	47.2
95.09216	2.4
97.02896	6.0
97.06517	28.4
97.10161	12.0
99.04435	2.5
99.08053	3.0
103.03951	1.1
103.05475	1.1
105.04529	1.4
105.07013	49.1
106.07347	1.3
107.04955	12.4
107.08578	44.8
107.98942	0.9
109.02853	4.1
109.06513	13.2
109.10140	36.6
109.72159	1.1
111.04405	2.6
111.08059	9.6
113.05945	1.4
113.09657	1.4
115.05466	2.3
115.07523	2.7
116.06198	1.4
116.07067	1.3
117.07001	24.6
119.04949	1.5
119.08564	38.4
121.06499	10.1
121.10135	24.6
123.04446	2.5
123.08087	7.6
123.11701	6.2
125.00005	1.2
125.05974	1.3
125.09608	9.3
127.03928	4.2
127.07552	1.3
128.06230	1.5
129.05476	3.1
129.06970	12.0
130.07858	2.0
130.08705	1.1
131.04897	1.5
131.08553	28.0
133.06468	3.5
133.10114	37.2
135.08029	9.7
135.10670	1.2
135.11674	22.2
137.05942	1.4
137.09607	7.7
139.11165	2.7
141.06944	5.0
142.07823	1.4
143.08545	11.9
145.06485	2.5
145.10117	25.1
146.08104	2.9
147.08066	5.3
147.11665	15.8
149.09599	14.5
149.13245	15.6
151.07602	1.2
151.11131	4.5
153.07036	1.3
153.09039	1.5
153.12688	1.3
155.08504	6.0
157.10124	10.6
159.08015	2.8
159.11670	19.9
161.09619	5.0
161.13263	5.4
163.11162	14.0
165.09093	1.8
165.12721	2.8
167.08536	2.2
167.10686	1.4
169.10153	7.3
169.22218	1.1
170.04486	1.1
171.07954	1.3
171.11627	8.6
173.04492	5.1
173.05788	1.0
173.09589	3.0
173.11716	7.2
173.13254	7.4
175.03957	1.0
175.11159	4.1
177.12727	5.8
179.14272	3.8
180.54778	1.1
181.10095	2.9
181.12206	3.7
183.11632	6.8
184.07332	6.0
185.09564	1.2
185.13237	4.6
187.11113	3.1
187.14778	3.4
189.11198	4.7
189.12596	2.3
191.10573	1.0
191.14310	1.8
193.12230	1.4
195.11716	3.6
195.13829	5.4
197.13283	6.0
199.11166	1.8
199.14809	2.7
201.12816	1.8
201.16365	1.8
202.07280	1.4
203.14333	1.4
209.13246	2.6
211.13132	1.7
211.14900	2.4
213.16400	1.7
215.17902	1.5
219.13684	1.3
221.13332	1.3
221.15353	2.2
227.12694	9.2
229.12102	1.3
229.14282	19.3
229.19530	1.9
233.15338	1.7
239.17958	3.8
241.15871	1.4
247.20563	3.0
251.16258	2.2
253.14323	2.1
253.17990	1.4
255.15765	9.3
257.18970	9.4
259.17081	1.2
259.20685	2.4
261.18597	1.4
264.63708	1.1
265.06516	1.1
267.15948	4.4
269.17444	25.5
273.18436	4.6
275.20044	35.5
276.20276	1.3
289.17899	1.8
291.19507	3.9
293.21036	3.4
303.16013	1.7
307.22745	1.4
321.24509	1.7
331.22696	4.2
339.17987	1.0
339.22720	1.1
349.23700	31.1
349.30426	1.3
350.23895	1.5
353.24469	1.5
363.25562	1.1
365.23569	2.4
367.24649	3.4
381.26538	2.1
395.20520	1.3
409.26065	4.8
413.21719	2.9
423.27347	28.5
423.32068	1.2
431.28024	1.8
433.30676	1.7
445.29572	9.2
449.28946	18.8
451.32031	3.0
461.28745	1.2
463.30508	27.6
464.31461	1.2
469.33292	2.4
477.31979	1.9
483.51532	1.0
485.31882	1.2
487.29684	1.5
499.35040	1.2
503.33762	9.7
504.33853	1.1
515.37018	3.5
521.34576	3.1
525.35931	10.7
527.37122	1.4
529.35571	7.8
543.36731	59.8
544.36774	2.7
561.37781	12.0
562.37787	1.6
567.30682	2.4
575.39526	7.2
589.33783	3.5
593.33246	4.6
605.41492	1.3
607.34656	15.9
623.42889	9.5
639.42432	1.2
641.43677	3.6
655.44873	2.3
673.46332	2.2
687.40991	5.0
705.41675	4.4
854.62750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.4
67.05495	100.0
68.05836	1.0
69.03421	10.9
69.07057	25.7
69.14485	0.7
70.24492	1.3
70.24906	2.6
71.01347	2.3
71.04975	6.3
71.07384	0.7
71.08607	1.2
73.02914	3.2
79.05113	0.6
79.05482	46.1
81.03409	20.2
81.07044	73.0
82.07393	0.8
83.04967	15.5
83.08607	17.7
85.02894	13.2
85.06533	6.0
85.38550	0.6
86.09689	0.7
87.04446	3.5
91.03951	0.9
91.05466	39.2
92.05776	0.7
93.07030	48.9
94.07374	0.9
95.04952	13.0
95.08592	27.4
96.08924	0.8
97.02882	6.9
97.06517	14.3
97.10156	13.3
99.04450	2.2
99.08063	3.9
101.02402	0.9
103.03910	1.0
103.05475	1.6
105.04513	0.8
105.07013	29.1
107.04934	8.8
107.08578	30.0
109.02863	2.0
109.06505	9.3
109.10140	59.4
110.10461	0.8
111.04446	2.6
111.08064	8.0
113.06016	1.4
113.09679	0.9
115.05469	1.3
116.04712	1.3
117.07007	15.7
117.07807	1.1
119.08560	22.3
121.06493	5.1
121.10120	14.3
123.04375	0.8
123.08051	6.2
123.11697	4.2
125.09609	13.4
127.03925	3.7
127.11179	1.1
128.06207	0.9
129.05473	5.0
129.06973	6.9
130.07811	1.3
131.04973	1.0
131.08548	17.9
133.06480	2.6
133.10112	19.6
135.08058	6.0
135.11671	16.6
137.05962	1.1
137.09601	6.6
139.07527	0.9
139.11154	1.4
141.06981	1.7
143.06995	1.1
143.08543	3.6
143.10628	1.8
144.09390	0.6
145.06497	1.3
145.10114	14.6
147.08051	3.2
147.09071	0.7
147.11665	9.1
147.12733	0.9
149.05949	0.9
149.09604	12.6
149.13246	10.2
151.11179	2.2
153.09055	0.8
153.12798	3.1
155.08569	1.5
155.10693	2.3
157.08694	1.7
157.10126	4.1
159.08029	1.8
159.11674	10.5
159.12810	0.9
161.06026	0.8
161.09650	2.0
161.13281	3.0
163.11168	15.8
165.09132	1.0
165.12849	1.2
167.08582	0.7
169.10133	3.1
171.06598	1.2
171.08040	0.7
171.10266	1.5
171.11723	3.4
173.04491	3.1
173.09607	2.3
173.11758	15.2
173.13290	3.6
175.11249	2.7
177.12715	4.2
179.14311	3.0
181.10222	0.7
181.12158	3.2
183.11682	2.0
184.07359	1.8
185.11743	1.4
185.13211	1.4
187.11201	1.3
187.14789	1.6
189.09526	1.1
189.11263	2.4
189.12781	0.8
191.10617	3.3
193.12225	4.3
195.13782	6.7
197.13196	1.1
199.11655	1.1
199.13219	5.9
199.34717	0.7
203.14432	0.8
209.11678	5.6
209.13277	0.6
211.13396	2.1
213.14877	0.9
215.14323	1.2
217.14244	1.2
219.13977	0.8
223.13153	0.7
227.12766	10.4
229.14317	43.8
229.19453	2.1
231.59532	0.7
239.18077	2.4
245.13933	1.1
247.20668	1.4
253.14453	1.6
255.15863	12.2
257.13724	1.1
257.19077	7.3
259.20697	1.2
265.14459	1.9
267.15878	6.9
269.17456	26.7
273.18384	1.2
275.20035	21.5
276.20468	1.2
281.17599	1.3
283.15405	5.5
285.14789	0.7
291.19589	1.6
293.17535	2.0
293.21188	2.0
301.10431	0.7
301.16364	12.8
303.16046	1.4
309.17142	0.9
309.20779	2.1
313.17035	0.7
313.21469	0.8
321.17038	0.8
331.22684	1.8
335.26059	0.9
347.22079	0.9
349.23718	20.2
367.24606	3.7
393.26428	2.4
399.23743	18.5
399.28619	1.2
400.24451	0.7
404.50818	0.7
409.25836	11.0
411.27353	0.9
413.21725	1.8
421.25751	1.1
423.27396	27.7
424.27713	1.3
447.27628	1.0
459.27539	0.9
461.29041	1.2
463.26996	0.9
473.32898	0.9
477.28497	1.9
481.28207	1.2
491.33768	1.4
493.26993	0.6
495.29568	5.9
503.33551	10.4
507.29535	2.0
511.28278	0.8
513.30615	1.1
521.34906	2.1
529.38458	1.1
557.34619	1.5
567.31812	0.9
575.35596	1.9
579.35059	6.3
593.36755	37.1
594.37262	2.1
673.42889	7.7
691.43726	4.3
713.38165	0.7
737.40997	1.7
835.47675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.53
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03880	1.4
65.53174	0.5
67.05493	45.6
67.06009	1.2
69.03380	2.1
69.03722	0.5
69.07059	13.8
71.04977	3.1
71.08586	0.6
71.19656	0.4
71.81901	0.7
73.02896	3.0
79.05482	30.3
79.05919	1.0
81.03412	3.8
81.07040	55.1
83.04971	3.5
83.08606	10.2
85.02888	11.0
85.06482	1.9
85.10196	0.6
88.81560	0.5
91.03932	6.6
91.05462	18.6
93.07027	37.4
93.14674	0.5
95.04952	4.9
95.08590	26.3
97.02882	5.1
97.05957	0.4
97.06509	3.9
97.10150	3.0
99.04421	0.6
99.08021	2.0
103.03886	0.5
105.04458	0.6
105.06351	0.7
105.07008	10.9
107.04879	1.6
107.08577	24.1
109.06456	1.8
109.10142	14.8
111.08062	3.1
117.07004	7.8
119.08561	7.2
121.06469	1.3
121.10124	12.3
121.12850	0.6
123.08025	1.4
123.11691	4.3
125.09551	1.9
127.03852	1.9
129.05389	0.7
129.06984	1.3
131.07643	0.8
131.08545	9.3
133.09181	0.8
133.10107	11.9
134.10387	1.1
135.07997	1.0
135.11671	10.4
137.09532	0.8
137.13159	0.8
139.11082	0.7
142.05025	0.5
143.08537	1.1
145.04910	2.9
145.10098	4.9
147.08084	0.7
147.10780	0.5
147.11664	5.6
149.09598	0.7
149.13239	10.3
151.11113	1.8
157.10049	1.2
159.11661	6.1
161.13205	3.2
163.05960	2.9
163.11116	1.5
163.14763	1.6
164.94028	0.5
165.12857	0.5
171.11636	1.6
173.11697	1.5
173.13185	2.6
175.14847	1.0
177.12625	2.6
179.14328	0.6
183.11777	0.6
185.13271	0.9
187.14742	1.1
195.13765	6.7
207.13759	0.9
213.14786	0.8
227.12593	0.5
229.14293	2.2
243.21077	1.7
253.14345	1.3
254.14467	0.9
257.18643	0.7
259.20432	1.1
261.22067	7.2
267.15826	1.4
269.17429	43.6
275.19974	0.9
281.17416	1.1
293.20804	0.5
299.23721	0.7
301.16339	0.7
317.24728	1.9
333.24158	1.1
335.25748	67.3
336.26065	1.5
349.24023	0.6
355.03281	0.5
399.23926	0.7
435.27145	0.6
437.34189	1.8
455.35092	1.1
472.74792	0.5
511.37711	2.2
529.38812	100.0
530.38983	3.0
547.40051	2.5
593.36682	1.0
673.42688	1.2
779.79224	0.6
816.01678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.1
67.05490	13.3
69.03408	2.7
69.07056	3.7
69.60275	3.2
71.01328	0.6
71.04978	2.3
73.02913	1.2
77.03919	0.3
79.05476	13.1
81.03400	61.9
81.07037	13.6
82.03735	0.7
83.04968	6.3
83.08601	17.0
85.02885	9.5
85.06523	0.9
91.03941	1.8
91.05460	16.8
92.05804	0.4
93.07024	9.3
95.04947	22.9
95.08585	5.4
96.05302	0.4
97.02875	4.4
97.06515	2.3
97.10158	4.5
99.04425	0.6
99.08059	0.8
103.05460	0.4
105.07005	13.4
107.04925	5.9
107.08566	5.2
108.23766	0.4
109.02876	0.4
109.06487	3.9
109.10146	3.6
111.04413	1.6
111.08057	7.8
113.05991	1.2
115.05437	1.3
117.07005	2.6
119.04932	0.9
119.08558	11.7
121.06509	2.8
121.10112	6.0
123.04401	2.0
123.08035	1.9
123.11664	0.9
125.05900	0.3
125.09610	3.6
127.03896	1.0
128.06221	0.9
129.05511	0.7
129.06970	8.5
131.04927	1.3
131.07547	0.5
131.08533	8.6
131.09460	0.5
132.08784	0.4
133.06470	2.8
133.10118	6.7
135.08034	1.3
135.11658	0.7
136.57144	0.3
137.05963	0.9
137.09573	1.9
141.06947	0.6
142.07744	2.0
143.08540	1.2
145.04930	0.6
145.06458	4.1
145.10120	2.2
147.04410	1.1
147.08028	3.1
147.11653	9.8
149.09596	5.2
151.03879	1.2
151.11186	0.6
153.09120	0.8
155.08607	0.9
157.06462	0.8
157.10091	11.7
159.08072	1.1
159.11635	0.9
161.05943	1.0
161.09590	0.9
163.06024	0.5
163.11165	1.4
165.12715	1.9
169.06422	0.4
169.10052	0.7
171.08014	1.1
171.11673	1.5
173.09616	0.7
175.07635	0.5
175.11157	11.3
177.12700	0.6
181.10139	0.5
183.07996	0.3
183.11739	0.5
185.09557	0.5
185.13225	0.6
187.14780	0.6
189.11172	1.4
189.12679	0.7
191.06996	0.4
193.12204	28.1
194.12595	0.6
195.08029	0.5
195.11597	0.9
197.09605	0.6
197.13234	1.0
199.11098	0.7
205.12160	0.7
207.13853	0.5
209.13309	0.5
211.11243	0.8
211.13222	11.2
211.15179	0.6
212.13474	0.4
213.12749	1.1
215.14261	0.8
221.08026	0.6
227.12761	1.2
229.14357	1.4
231.13773	0.7
233.15350	0.9
233.92203	0.3
235.13173	0.6
237.12712	0.7
237.14745	0.5
243.13635	0.4
249.14754	2.3
255.13760	2.2
257.15323	0.5
259.13196	0.6
267.15860	100.0
268.16278	3.2
273.14822	4.2
285.16904	10.8
287.16312	0.4
300.70050	0.3
301.14017	0.5
303.08591	0.7
309.17096	0.9
321.22125	0.4
323.19626	0.5
331.20581	0.4
339.23126	0.8
341.21222	1.6
349.21545	3.2
357.24368	0.4
367.22641	6.8
385.23651	8.9
386.23999	0.4
403.24725	2.8
405.24313	0.6
415.24515	0.7
421.25693	0.7
433.25787	17.1
434.26233	0.6
441.26257	7.8
442.26685	0.5
459.27328	84.1
460.27658	4.3
477.28391	51.4
478.28867	2.7
491.30063	1.1
501.28580	2.4
509.31116	1.0
519.29297	3.5
525.28571	0.5
543.29242	1.1
567.29352	0.9
573.30505	1.1
585.30933	2.4
603.31323	2.2
621.32385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38934	0.4
65.03898	1.4
66.04712	0.6
67.05492	35.1
69.03416	7.5
69.07057	7.6
70.04176	1.1
71.01312	1.9
71.04977	3.7
71.79351	0.6
73.02539	0.6
73.02901	8.3
79.05477	31.2
80.06235	1.0
81.03403	24.6
81.07041	23.9
82.03768	0.7
82.04183	7.8
82.07798	0.7
83.01299	1.0
83.04968	13.8
83.08124	0.8
83.08603	12.6
84.02076	2.0
84.05727	1.4
85.02888	14.8
85.06487	1.5
87.04417	1.3
91.03368	0.5
91.03931	7.1
91.05465	21.4
91.89709	0.4
92.06225	0.7
93.07028	20.2
94.04134	0.9
94.07760	1.8
95.04952	21.2
95.08596	10.3
96.05709	1.3
96.09390	0.6
97.02876	10.4
97.05961	0.6
97.06510	8.3
97.10150	20.6
98.07291	8.1
99.04399	1.7
99.08047	1.4
101.05951	1.5
103.05452	0.8
105.04462	0.6
105.06364	0.6
105.07007	10.3
106.07798	1.0
107.04935	8.2
107.08574	15.7
109.02826	2.0
109.06509	4.9
109.10138	15.7
110.07249	1.3
111.04418	2.5
111.07439	0.6
111.08058	5.7
113.05949	1.4
115.03927	1.1
115.05412	1.1
116.04690	15.6
117.05437	1.4
117.07006	5.3
119.04902	0.7
119.07764	0.7
119.08561	12.0
120.09370	0.9
121.06491	3.7
121.10113	6.0
122.10878	0.6
123.04362	1.3
123.08052	7.4
123.11633	1.4
124.08809	0.7
125.05934	0.9
125.09614	25.9
126.10356	0.8
127.03867	3.0
127.07497	0.9
127.11137	2.7
129.05457	41.4
129.06894	5.6
130.07747	0.8
131.04855	0.8
131.08540	8.7
132.09167	0.7
133.06442	0.8
133.10104	8.3
135.04401	0.6
135.08034	4.3
135.11665	8.0
136.08786	1.7
137.05960	0.6
137.09605	4.7
138.10385	0.5
139.07483	1.2
142.07758	0.9
143.07019	11.0
143.08232	0.7
143.10646	3.8
145.04932	2.4
145.06404	0.5
145.10092	8.3
147.07996	2.5
147.11670	6.9
149.09628	4.0
151.03853	0.6
151.11209	0.7
153.09044	2.9
153.12715	3.3
154.09827	0.7
155.06966	0.5
155.08557	1.0
155.10577	1.3
157.08545	17.4
157.10051	5.8
158.05678	1.9
161.05939	0.5
163.05995	2.5
163.11174	10.8
164.11902	1.4
165.12682	2.2
167.07007	0.6
167.10675	0.6
171.06564	2.6
171.07777	0.6
171.10146	6.8
173.04419	0.5
173.09610	3.0
173.11734	7.7
174.10382	0.5
175.11137	3.9
181.12189	3.5
183.06578	1.1
183.10220	0.5
185.08038	1.1
185.11705	2.6
189.11201	13.4
189.12859	0.9
191.10594	4.3
192.11444	1.4
193.12227	8.7
197.08078	0.5
199.09560	1.2
199.13257	14.2
200.14061	4.2
201.14778	1.7
209.11696	11.2
210.12498	2.5
211.09608	0.9
211.13197	3.5
213.11099	0.7
213.14830	0.9
217.12398	0.7
217.14293	4.1
227.12733	21.8
229.14330	8.3
237.15050	0.5
239.12708	0.7
239.16296	0.5
247.13246	1.6
249.14830	1.2
253.14278	0.6
255.15887	2.8
265.14233	1.3
267.15875	11.6
268.16443	0.9
269.17392	0.7
271.15320	1.0
283.15405	15.5
283.18539	0.5
284.16086	2.6
285.16898	1.3
301.16406	100.0
302.16693	1.2
303.08609	0.6
321.16928	0.9
326.24377	1.2
337.16306	0.7
353.23486	0.6
355.17499	2.2
369.22772	0.7
371.24115	0.7
383.20187	0.8
397.21884	0.6
408.24844	0.9
409.25949	1.0
425.25308	2.2
437.25375	1.1
438.26135	2.1
443.26352	5.8
455.26309	17.4
456.26569	0.6
459.27054	2.2
460.28253	0.9
475.26862	2.9
476.27344	1.3
477.28186	2.7
481.27509	0.5
492.26984	0.7
493.27957	5.0
495.29007	0.8
509.27365	9.0
510.28159	4.5
527.28448	76.8
528.28680	2.3
583.52057	0.5
689.32617	0.7
706.40924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
67.05497	45.6
69.03430	1.8
69.07062	7.5
69.97548	1.8
69.97966	0.7
71.04984	14.5
71.08624	16.5
73.02911	1.7
79.05478	6.1
81.03408	1.1
81.07047	16.1
83.04974	2.3
83.08609	8.9
85.02892	8.4
85.06517	1.6
85.10171	9.5
87.04459	0.4
90.63593	0.3
91.03944	5.5
91.05473	6.4
93.07035	7.1
95.04939	1.0
95.08597	17.1
95.68961	0.4
97.02876	4.7
97.06499	1.8
97.10152	3.8
99.08048	0.5
99.11730	1.1
99.66263	0.4
103.07494	0.4
107.08596	4.1
109.02865	0.6
109.10143	49.3
110.10475	0.6
111.08066	2.6
111.11705	1.2
113.13248	0.4
117.07001	0.7
119.08572	5.2
120.65406	0.4
121.10139	2.4
123.11678	3.9
127.03932	2.1
127.11098	0.4
133.10141	0.7
135.11679	6.0
137.09601	8.2
137.13252	1.2
139.14815	0.4
145.04947	2.2
145.10120	2.8
151.14807	0.4
155.10652	2.1
163.06027	2.2
163.11157	2.1
165.12630	0.4
169.12238	0.8
173.11717	8.8
181.12210	0.9
187.13306	0.9
206.21117	0.4
211.13185	0.6
221.22473	0.5
229.14302	1.0
237.14795	0.4
239.16379	0.5
239.23677	2.1
243.15918	1.1
255.15927	4.2
257.24655	0.4
284.98251	0.4
287.18497	15.0
313.27335	15.2
313.31009	0.9
314.27570	0.5
335.26062	0.5
431.22394	1.0
467.37280	69.2
468.37570	2.3
481.38766	1.6
493.38879	5.8
507.40549	0.6
525.41455	100.0
526.41925	3.1
630.23621	0.4
669.45050	1.1
745.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.7
65.35116	0.3
67.05498	11.2
69.03424	2.8
69.07063	6.2
69.60111	1.7
69.60537	1.0
71.04980	1.9
71.08624	15.8
73.02917	2.1
75.04458	0.3
79.05487	8.6
81.03410	24.7
81.07047	17.0
83.04527	0.5
83.04969	5.7
83.08611	14.9
85.02897	15.4
85.06494	1.1
85.10173	10.1
87.04430	0.7
89.05992	0.8
91.03452	0.4
91.03947	5.2
91.05466	10.9
93.06516	0.4
93.07034	6.0
95.04955	10.7
95.08598	15.1
97.02889	4.9
97.06526	1.8
97.10159	4.3
99.04418	1.0
99.08035	0.6
99.11719	0.6
103.07564	0.6
105.06361	0.5
105.07018	8.5
105.12222	0.3
107.04940	2.7
107.08032	0.3
107.08582	3.1
109.06510	1.6
109.10148	6.6
111.04381	0.7
111.08071	3.8
111.11647	0.7
112.53123	0.3
113.05940	1.3
115.03876	0.5
115.05396	0.8
117.06984	0.7
119.07742	0.5
119.08562	7.5
121.06493	0.6
121.10127	3.7
123.08029	1.1
123.10983	0.3
123.11677	3.1
124.99974	0.4
125.09614	0.6
125.13275	0.3
127.03893	1.6
129.06993	4.0
131.08553	4.5
133.06432	1.0
133.10115	5.7
135.11632	0.5
137.09549	1.1
137.13179	0.7
142.07716	1.3
145.04951	1.8
145.10052	0.6
147.07996	1.2
147.11658	6.4
149.09619	3.5
151.14807	0.4
157.10110	7.8
163.05983	1.8
165.12686	1.0
175.11169	7.7
184.07268	0.3
193.12221	17.2
211.13266	20.9
239.23686	1.3
249.14532	0.3
257.24756	1.3
267.15878	12.9
281.05127	0.3
285.16931	33.6
286.17310	0.9
313.27332	64.7
314.27582	2.3
338.33990	0.3
415.31180	0.3
483.30566	0.4
505.38834	17.5
506.39243	0.9
523.39899	100.0
524.40271	5.3
528.42395	0.5
667.44458	0.8
877.81946	0.4
899.46094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.6
63.40917	0.3
65.03925	0.3
67.05495	11.1
69.03404	1.1
69.07061	6.2
71.01321	0.3
71.04992	1.4
71.08623	14.5
71.81868	0.6
73.02905	1.9
73.15240	0.3
78.67682	0.3
79.05482	10.7
81.03414	2.1
81.07045	15.3
83.01316	1.3
83.04971	2.2
83.08608	9.4
85.02441	0.4
85.02895	4.4
85.06507	0.8
85.10173	8.8
87.04464	0.3
89.06019	0.7
91.03957	2.9
91.05462	3.8
93.06426	0.6
93.07030	16.8
95.04958	3.2
95.08592	27.8
97.02874	4.6
97.06522	1.9
97.10159	3.4
99.04434	2.6
99.11703	0.7
103.05479	0.5
103.07570	0.9
104.18722	0.3
105.07005	3.5
107.04945	4.6
107.08576	14.6
109.06538	1.6
109.10144	6.4
111.04403	1.2
111.08015	0.6
111.11696	0.5
117.07005	5.2
119.08564	5.5
121.05864	0.3
121.06511	3.0
121.10131	7.3
123.08025	0.9
123.11688	2.1
125.05960	1.5
125.13258	0.4
127.03883	1.0
127.07509	0.4
129.07019	0.5
130.07738	0.6
131.08524	0.6
133.10118	1.2
135.08011	1.2
135.11678	27.5
136.11961	0.3
137.13239	1.0
139.07524	1.3
145.04904	0.9
145.10104	16.5
146.10439	0.3
147.08020	0.4
151.14780	0.5
153.12714	1.0
155.08505	0.4
163.05994	0.9
163.11163	41.3
164.11537	0.3
165.16446	0.3
173.09663	0.8
181.12225	7.4
184.07201	0.4
209.11702	1.3
221.22629	0.4
224.23642	0.3
227.12755	39.2
228.12987	0.9
239.23636	1.6
257.24615	1.9
266.13608	0.3
283.15372	88.0
284.15680	1.9
284.20923	0.4
313.27322	84.5
314.27679	1.9
410.21133	0.3
446.46356	0.4
447.53729	0.3
521.38324	100.0
522.38635	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	882.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
67.05496	14.2
69.03419	2.6
69.07057	6.8
69.29318	0.2
70.09754	0.5
70.10144	0.6
71.04984	2.7
71.08620	14.5
73.02909	2.7
75.04469	0.3
79.05482	10.7
81.03405	30.3
81.07042	19.3
82.03737	0.2
83.04968	7.7
83.08607	17.1
85.02892	19.4
85.06530	1.3
85.10168	8.9
87.04456	0.6
89.06017	0.8
91.03943	5.6
91.05466	13.8
93.07028	8.4
95.04954	12.7
95.08592	14.7
96.08942	0.2
97.02873	6.0
97.06512	2.1
97.10156	4.3
97.10748	0.1
99.04446	0.9
99.08076	0.7
99.11726	0.8
103.07556	0.7
105.07012	11.1
107.04935	2.9
107.08582	3.4
109.02824	0.5
109.06503	2.5
109.10142	5.5
111.04415	1.2
111.08067	5.5
111.11710	0.5
113.05989	1.2
115.03919	0.5
115.05441	0.8
116.06271	0.2
117.06975	0.6
117.09104	0.3
119.04984	0.3
119.08559	9.9
121.06486	0.9
121.10127	4.3
123.08047	1.0
123.11677	3.1
125.06017	0.3
125.09611	0.7
127.03899	2.3
127.07538	0.4
129.06979	5.5
131.08545	5.3
133.06494	1.5
133.10110	5.9
137.09581	0.9
137.13263	0.9
142.07748	1.5
145.04971	2.2
145.10101	1.2
147.08064	1.4
147.11658	7.8
149.09593	3.4
149.13272	0.2
151.01189	0.2
151.11140	0.4
151.14771	0.4
157.10112	7.7
163.05992	3.4
163.11198	0.3
165.12711	1.4
170.28499	0.2
175.11157	9.1
176.11475	0.3
180.08752	0.4
193.12215	24.1
194.12566	0.5
211.13263	38.3
212.13672	1.1
239.23645	1.4
249.14861	0.6
257.24680	1.2
267.15875	16.5
268.16196	0.4
278.53433	0.2
285.16922	58.0
286.17221	2.0
298.27396	0.3
313.27313	58.0
314.27634	2.1
337.16901	0.2
429.21417	0.3
505.38831	13.8
506.39044	0.7
523.39874	100.0
524.40253	6.6
667.43323	0.5
762.38721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	8.2
65.03908	0.3
67.05495	9.0
69.03417	1.5
69.07059	4.9
70.38960	0.4
70.39364	0.3
71.01307	0.6
71.04984	1.7
71.08618	13.3
73.02904	2.6
73.06522	0.3
75.04457	0.2
77.03860	0.2
79.05481	8.0
81.03402	5.8
81.07041	13.3
83.01325	4.4
83.04966	5.8
83.08604	10.3
85.02891	12.7
85.06486	0.8
85.10168	8.8
86.09669	0.2
87.04412	0.3
89.06014	0.9
91.03941	7.0
91.05465	5.1
93.06437	0.3
93.07030	11.2
95.04957	3.2
95.08589	13.1
96.04450	0.3
97.02878	6.7
97.06517	2.2
97.09575	0.2
97.10150	3.6
99.04439	1.9
99.08040	0.3
99.11677	0.6
101.02325	0.3
103.05405	0.3
103.07520	0.6
105.07003	3.7
107.04245	0.2
107.04934	4.3
107.08576	5.7
109.02815	0.6
109.06503	4.3
109.10146	5.6
111.04430	1.0
111.08076	1.1
111.11654	0.7
115.03893	0.4
115.05358	0.2
117.06998	3.9
117.09042	0.2
119.07735	0.3
119.08555	4.7
121.06504	1.8
121.10130	4.0
123.04417	0.3
123.07259	0.3
123.08059	4.7
123.11704	2.1
125.05962	1.0
125.09622	0.8
127.03891	3.0
128.06172	0.2
129.05492	0.2
129.06946	0.7
130.07741	0.7
131.04868	0.2
131.08521	1.2
133.10074	1.1
135.04405	0.3
135.08037	1.0
135.11670	6.9
137.09579	1.0
137.13203	0.7
139.07484	0.4
143.08487	0.5
144.06494	0.3
145.04898	3.2
145.06381	0.6
145.10104	9.1
147.08012	1.1
149.05882	0.3
149.09546	0.5
151.11028	0.2
151.14706	0.3
153.11775	0.2
153.12717	1.7
155.08482	0.8
163.05995	3.6
163.11160	14.4
164.11449	0.2
165.09061	0.3
173.09592	2.2
181.12192	2.2
184.07281	0.2
191.10635	1.6
209.11696	3.9
221.22606	0.2
227.12740	2.2
239.23599	1.4
257.24713	1.7
265.14319	0.3
283.15353	100.0
284.15643	1.5
298.27332	0.2
313.27307	71.0
314.27695	1.4
358.61124	0.2
521.38312	49.5
522.38739	1.3
623.31305	0.2
649.95990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.0
65.03926	0.8
67.05129	0.9
67.05493	17.8
69.03384	0.5
69.07064	5.8
71.04962	1.0
71.08245	0.6
71.08620	11.0
71.82021	0.7
73.02902	0.9
73.06507	0.6
79.05483	23.5
81.03407	2.8
81.07044	17.9
81.07529	0.8
83.04962	4.5
83.08604	7.1
85.02892	3.9
85.06516	1.4
85.10173	7.1
89.05994	0.6
91.03968	2.1
91.05465	18.8
91.06040	1.0
93.07033	24.1
95.04951	7.8
95.07994	1.0
95.08591	16.1
97.02871	1.6
97.06518	1.2
97.10155	2.7
105.07013	15.0
107.04937	2.1
107.08582	6.9
109.06516	2.4
109.10128	6.0
111.08058	0.5
115.05427	0.6
117.07011	2.8
119.08558	8.3
121.06461	0.6
121.10136	1.3
123.08048	2.3
123.11671	2.1
127.03915	0.8
129.06981	6.1
131.08531	1.4
133.06468	0.6
133.10114	3.5
143.08548	3.3
145.04935	0.5
145.10114	4.5
147.08015	1.0
147.11667	16.6
151.14825	0.5
159.11708	0.8
161.09645	1.7
161.13232	4.8
163.05989	1.2
171.11665	10.7
184.07332	0.5
189.12697	3.7
203.00851	0.5
207.13773	14.4
212.55615	0.4
239.23686	0.9
257.24695	1.0
278.96774	0.5
281.17441	45.6
282.17737	0.9
313.27310	40.7
314.27582	0.9
359.63275	0.5
449.36340	0.5
519.40387	100.0
520.40771	3.2
537.41254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.2
68.98146	1.1
69.03410	2.1
69.07053	14.1
70.00648	1.0
70.11176	6.5
71.04962	2.4
79.05466	4.6
81.07041	9.3
83.01330	4.4
83.08600	1.7
85.06528	1.4
91.05466	5.0
93.07030	18.8
95.04947	3.1
95.08583	3.8
105.07015	4.9
107.08572	17.1
109.06493	2.8
109.10139	9.7
113.05952	3.3
117.06948	1.9
119.08550	3.5
121.06459	5.7
121.10122	4.0
123.08081	2.4
123.11684	12.6
133.10115	3.1
135.08037	5.0
135.11667	22.5
137.05923	2.1
139.03917	2.0
141.05440	1.8
145.10106	3.6
149.05983	1.9
149.09590	5.3
149.13171	1.3
151.07553	2.0
153.05428	16.6
158.07301	1.3
159.08000	3.9
161.05989	1.4
162.06798	1.4
163.07523	8.8
165.05447	58.1
165.09177	2.4
167.07022	4.8
173.09602	5.9
175.07518	3.2
176.08362	2.6
177.05397	3.2
177.09082	17.9
178.06277	1.3
179.05525	0.8
179.07013	21.5
181.08614	1.5
187.07541	2.6
187.11284	1.1
191.07011	14.8
191.08617	1.8
191.09169	1.5
191.10606	10.3
192.07706	5.5
193.08530	6.9
195.10078	2.1
195.70187	1.3
195.94044	1.1
199.07280	1.3
201.09119	6.1
203.06955	6.0
203.10555	1.5
203.17947	1.5
204.07799	2.0
205.08566	53.4
207.10094	2.6
211.09602	3.2
215.10690	4.0
217.08594	3.9
219.10120	62.4
221.11725	11.6
223.09613	40.0
223.11830	1.4
225.11172	3.1
229.08585	1.5
231.10135	17.2
233.11650	5.5
237.11168	82.4
243.10107	14.2
243.13684	2.1
245.11710	4.9
249.11156	1.4
251.12764	3.9
257.11682	3.2
259.13138	2.7
261.11176	24.7
269.11475	2.2
271.13217	10.4
275.12708	4.1
275.16299	6.0
285.14731	4.1
287.16376	100.0
288.16660	2.5
289.14334	19.1
291.16003	2.0
301.14630	1.4
303.15854	4.2
305.17505	8.0
307.15240	1.4
315.15616	1.4
327.19537	13.5
341.21112	4.6
343.18951	2.3
343.22647	6.8
345.20557	76.9
346.20676	1.5
355.22549	4.0
357.20505	16.6
359.22125	38.4
363.21600	3.5
371.22220	8.4
377.23279	2.1
413.26807	10.4
427.28397	14.8
431.27823	2.1
713.43036	1.6
717.43274	1.4
769.47882	3.8
771.48169	29.7
772.48694	2.2
839.39783	2.0
839.54449	28.3
840.54456	1.5
857.54553	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	875.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27997	1.4
62.29195	1.7
67.05486	4.2
69.07059	13.5
69.27935	1.8
69.39384	1.6
71.47975	4.6
71.48361	2.2
73.98717	1.7
79.05470	5.7
81.07044	17.6
83.01338	4.5
83.08611	5.0
83.36012	1.7
91.05463	5.4
93.07030	17.2
95.04956	2.4
95.08590	16.0
105.07019	7.3
107.08591	20.2
109.06519	3.9
109.10176	9.4
119.08560	6.2
121.06499	4.3
121.10133	29.2
123.11696	9.4
125.05997	2.3
127.03931	1.9
128.50362	1.7
131.08446	1.8
133.10129	10.4
135.08046	5.4
135.11682	22.4
137.05957	6.7
137.13248	4.9
139.07545	2.7
141.05405	2.3
145.10143	4.4
147.11719	4.6
149.09616	5.2
149.13202	6.4
153.05452	85.1
155.06961	1.9
159.08069	5.4
161.06046	1.9
161.13199	2.1
162.06694	3.9
163.07516	6.7
163.14787	3.8
165.05467	100.0
167.07027	39.6
167.08348	3.4
173.09621	2.1
173.13252	3.0
175.14760	4.3
177.05470	6.0
177.09106	16.5
177.16362	5.5
179.07014	7.9
187.07607	2.4
191.06999	16.1
191.10648	5.7
193.08548	4.2
194.58665	2.0
201.09103	2.8
203.07057	2.9
205.08583	63.8
207.10146	3.0
209.11681	2.5
213.08899	1.8
217.08476	3.5
219.10152	69.3
221.09520	4.0
221.11717	81.8
223.09642	58.1
231.10210	9.8
233.11691	12.0
235.09639	2.7
237.11183	62.9
237.13568	3.1
243.10127	6.7
245.11725	10.2
247.13293	4.8
251.12799	5.5
257.11673	3.4
257.22687	2.4
259.13165	3.7
261.11215	7.8
269.22552	1.7
271.13281	4.2
273.14865	4.7
275.13138	4.2
275.16428	10.5
285.14758	6.9
287.16391	21.7
289.14401	5.6
289.17963	7.6
291.15884	7.8
299.16345	3.2
301.14270	2.5
303.15915	9.2
305.17435	11.3
307.15283	2.3
309.91769	2.2
315.15842	2.6
317.17398	4.7
327.19513	4.3
331.19022	2.1
341.17633	3.5
343.18991	3.7
343.22723	3.2
345.20615	19.6
357.20584	5.5
359.22122	13.0
371.22278	2.7
385.23978	3.3
387.25546	2.4
409.27316	6.8
413.27002	1.9
421.27560	2.8
425.26733	1.9
451.91345	1.9
465.23013	1.8
467.31354	12.5
471.31989	1.8
479.31595	11.3
481.33200	9.4
491.30884	2.7
493.33054	5.8
496.74817	1.6
535.37616	2.1
544.07770	2.0
547.37866	2.7
551.37244	3.2
561.34253	1.6
563.37219	2.8
619.36163	1.7
631.36224	13.0
645.37469	6.8
652.29333	2.0
687.42328	2.6
699.42224	7.0
703.42041	27.2
713.43390	4.3
715.41986	33.9
760.66693	2.0
769.46124	4.7
771.48224	18.9
783.47302	3.1
839.54504	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	875.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.2
68.98146	1.1
69.03410	2.1
69.07053	14.1
70.00648	1.0
70.11176	6.5
71.04962	2.4
79.05466	4.6
81.07041	9.3
83.01330	4.4
83.08600	1.7
85.06528	1.4
91.05466	5.0
93.07030	18.8
95.04947	3.1
95.08583	3.8
105.07015	4.9
107.08572	17.1
109.06493	2.8
109.10139	9.7
113.05952	3.3
117.06948	1.9
119.08550	3.5
121.06459	5.7
121.10122	4.0
123.08081	2.4
123.11684	12.6
133.10115	3.1
135.08037	5.0
135.11667	22.5
137.05923	2.1
139.03917	2.0
141.05440	1.8
145.10106	3.6
149.05983	1.9
149.09590	5.3
149.13171	1.3
151.07553	2.0
153.05428	16.6
158.07301	1.3
159.08000	3.9
161.05989	1.4
162.06798	1.4
163.07523	8.8
165.05447	58.1
165.09177	2.4
167.07022	4.8
173.09602	5.9
175.07518	3.2
176.08362	2.6
177.05397	3.2
177.09082	17.9
178.06277	1.3
179.05525	0.8
179.07013	21.5
181.08614	1.5
187.07541	2.6
187.11284	1.1
191.07011	14.8
191.08617	1.8
191.09169	1.5
191.10606	10.3
192.07706	5.5
193.08530	6.9
195.10078	2.1
195.70187	1.3
195.94044	1.1
199.07280	1.3
201.09119	6.1
203.06955	6.0
203.10555	1.5
203.17947	1.5
204.07799	2.0
205.08566	53.4
207.10094	2.6
211.09602	3.2
215.10690	4.0
217.08594	3.9
219.10120	62.4
221.11725	11.6
223.09613	40.0
223.11830	1.4
225.11172	3.1
229.08585	1.5
231.10135	17.2
233.11650	5.5
237.11168	82.4
243.10107	14.2
243.13684	2.1
245.11710	4.9
249.11156	1.4
251.12764	3.9
257.11682	3.2
259.13138	2.7
261.11176	24.7
269.11475	2.2
271.13217	10.4
275.12708	4.1
275.16299	6.0
285.14731	4.1
287.16376	100.0
288.16660	2.5
289.14334	19.1
291.16003	2.0
301.14630	1.4
303.15854	4.2
305.17505	8.0
307.15240	1.4
315.15616	1.4
327.19537	13.5
341.21112	4.6
343.18951	2.3
343.22647	6.8
345.20557	76.9
346.20676	1.5
355.22549	4.0
357.20505	16.6
359.22125	38.4
363.21600	3.5
371.22220	8.4
377.23279	2.1
413.26807	10.4
427.28397	14.8
431.27823	2.1
713.43036	1.6
717.43274	1.4
769.47882	3.8
771.48169	29.7
772.48694	2.2
839.39783	2.0
839.54449	28.3
840.54456	1.5
857.54553	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.7
65.03918	0.7
67.05492	18.4
69.03391	1.2
69.07055	5.4
71.01310	0.3
71.04975	2.3
73.02906	0.5
73.03265	0.3
73.64166	0.3
75.91309	0.3
79.05482	12.3
81.03405	30.5
81.07041	23.8
82.07372	0.4
83.04971	3.0
83.08604	10.4
85.02893	3.0
85.06525	1.6
87.04401	0.3
91.03951	1.4
91.05467	10.6
93.07027	16.2
95.04951	11.6
95.08016	0.4
95.08588	6.0
96.99087	0.3
97.02872	2.1
97.06520	3.5
97.10152	1.8
99.04429	0.4
99.08040	1.1
105.04500	0.4
105.06353	0.5
105.07011	7.7
107.04932	2.4
107.08578	10.1
109.06494	2.4
109.10146	2.2
111.04452	1.4
111.05084	0.3
111.07347	0.3
111.08068	4.4
111.11706	0.4
113.65568	0.3
115.05447	0.6
117.06986	2.5
119.04923	0.5
119.08551	5.4
121.06498	2.1
121.09302	0.4
121.10131	7.4
121.49416	0.3
123.04390	0.8
123.08020	1.0
123.11654	1.1
125.09591	1.0
127.03844	0.8
129.06987	4.1
131.08548	5.8
133.06445	1.5
133.10104	5.1
135.08002	1.2
135.11674	2.8
137.09569	0.8
139.03831	0.4
139.07477	0.3
139.11076	0.6
142.07727	1.2
143.08545	0.4
145.04933	0.5
145.06438	0.7
145.10034	0.9
147.07988	1.0
147.11658	4.2
149.09592	2.2
149.13237	8.8
151.11150	0.7
155.08461	0.5
157.08902	0.4
157.10106	4.9
159.11679	4.3
162.50833	0.3
163.05949	0.9
163.11115	1.0
165.12650	0.8
167.08650	0.3
171.08038	0.3
171.11664	0.3
173.11696	0.7
173.13083	0.3
175.11150	4.1
177.12686	2.2
183.11494	0.3
189.11234	0.4
193.12204	11.0
195.13751	3.5
207.13698	0.3
211.13249	1.3
227.12744	0.6
229.14192	0.6
249.14812	1.1
253.14041	0.3
259.13177	0.5
267.15869	40.4
268.16135	1.0
269.17435	28.9
270.17859	0.7
273.14865	0.7
285.16916	0.4
301.14050	0.5
309.16849	0.5
351.23239	0.4
369.24362	1.0
387.25427	0.5
417.26300	0.4
435.27371	4.2
443.27817	2.7
453.28381	0.6
461.28918	100.0
462.29385	3.8
479.30127	3.0
493.30832	0.6
503.30261	2.5
511.32526	1.1
527.29834	0.7
546.42468	0.3
557.30804	0.5
569.30573	1.6
587.31873	2.0
605.33173	0.7
852.10638	0.3
870.36926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47636	0.6
61.02914	16.7
65.03924	2.8
67.05492	52.5
69.03419	12.6
69.07056	14.4
70.04206	1.2
71.01348	1.8
71.03065	0.7
71.04979	6.3
73.02906	10.1
73.06535	0.7
76.25684	0.6
76.26599	0.6
77.03893	0.9
79.05478	48.6
80.06245	1.2
81.03403	90.3
81.07040	47.5
82.03777	1.0
82.04192	5.2
83.04964	28.2
83.08604	36.3
84.02102	1.4
84.05744	1.0
85.02889	45.1
85.06518	4.1
87.04478	1.9
91.03938	10.6
91.05463	49.1
92.05782	0.8
93.07027	33.5
94.04182	1.8
94.07832	1.1
95.04951	46.2
95.08590	16.7
96.04440	0.7
96.05765	0.6
97.02233	0.8
97.02875	17.7
97.06512	11.3
97.10149	18.7
98.03667	0.6
98.07287	6.7
99.04457	2.9
99.08092	3.4
101.02365	1.0
101.05999	2.2
103.03931	0.6
105.07010	32.9
106.07827	0.8
107.04936	14.3
107.08574	19.2
108.05770	0.7
109.02876	1.8
109.06497	8.9
109.10132	14.7
110.07285	0.7
111.04424	6.7
111.08067	19.0
113.06004	4.6
115.03905	1.3
115.05426	2.7
116.04691	14.8
116.06198	0.8
117.05472	1.4
117.07005	6.9
119.04943	1.5
119.08560	29.2
120.09399	0.9
121.06493	4.3
121.10123	14.9
123.04391	0.9
123.08043	9.2
123.11658	2.6
125.09613	20.8
127.03913	4.4
127.07537	1.2
127.11189	2.7
128.06276	0.7
129.05463	35.8
129.06949	14.9
131.08545	21.2
133.06479	4.5
133.10110	19.4
135.04424	1.2
135.08025	4.0
135.11655	6.5
136.08788	1.0
137.05943	1.1
137.09578	4.2
139.07562	0.7
140.61504	0.6
142.07736	3.8
143.07022	7.7
143.10637	1.2
145.04948	4.2
145.06462	1.4
145.10092	7.7
147.08054	6.6
147.11661	23.6
149.05943	0.8
149.09593	8.5
151.11168	1.2
153.09099	3.1
153.12737	4.5
155.08554	0.8
155.10651	1.1
157.08600	17.3
157.10117	22.9
157.11391	1.2
158.05751	2.5
159.07990	0.8
163.05980	4.9
163.07233	0.7
163.11148	11.8
164.11850	1.3
165.12726	5.0
167.07106	1.5
171.06555	4.3
171.07872	1.0
171.10112	6.0
173.04424	1.2
173.09621	2.8
173.11760	4.8
173.13138	1.2
175.11163	21.3
181.04930	0.7
181.12198	5.1
185.08054	2.0
185.09630	0.8
185.11743	1.9
189.11209	10.3
189.12843	0.9
191.10611	5.3
192.11319	1.2
193.12209	77.8
194.12534	1.5
199.09660	1.8
199.13254	20.7
200.14072	3.7
201.14853	1.6
209.11703	14.3
209.13538	1.1
210.12535	1.9
211.13257	100.0
212.13606	2.0
213.11139	1.3
213.14830	0.9
217.14453	1.0
219.13728	0.9
221.24478	0.7
227.12732	19.3
228.13397	0.9
229.14316	5.1
231.13927	0.9
247.13228	4.6
249.14824	2.1
255.15952	3.4
265.14297	1.2
267.15875	34.8
268.16275	1.1
283.15381	18.6
283.18930	0.9
284.16110	1.7
285.16916	73.8
286.17368	1.9
301.16406	75.5
302.16776	2.3
311.21790	0.9
321.16974	2.5
339.17972	4.2
339.21417	0.8
350.35941	0.7
365.21109	0.9
367.21143	0.8
382.27148	0.8
383.21896	0.7
391.24844	1.8
395.24130	0.8
403.25214	0.8
409.25900	8.7
421.25757	3.3
427.26770	9.7
439.26831	29.2
440.27054	1.2
457.25894	1.1
458.26746	1.7
459.27225	5.0
474.59662	0.7
475.26657	6.0
476.27304	4.0
477.28232	5.9
493.27893	23.8
494.28604	9.3
495.29422	1.3
511.28967	85.0
512.29370	3.4
655.32959	2.1
668.50922	0.7
673.34467	0.8
705.49774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.9
67.01864	0.7
67.05484	1.5
68.99776	10.0
70.76766	1.3
70.77131	1.2
77.03925	1.0
79.05453	1.5
81.03397	3.9
83.04941	2.1
85.02897	1.3
89.03903	2.1
91.05458	1.1
93.03397	2.1
95.04950	3.2
99.04427	0.7
103.05467	1.2
105.03367	1.7
107.04951	5.8
109.02875	3.5
111.00785	8.1
111.04427	15.8
115.05460	0.9
117.03365	2.3
117.06982	0.7
119.04924	1.7
121.02846	1.4
123.04409	87.6
124.04762	1.4
127.03893	100.0
128.04210	1.2
128.09825	0.6
129.06976	1.1
131.04936	2.7
133.06451	0.8
135.04391	81.6
136.04764	1.1
137.02339	5.6
137.05937	1.2
139.03876	70.4
140.04181	1.6
141.06947	1.0
143.04889	1.2
145.02826	1.3
145.06525	1.4
147.04375	10.4
149.02310	7.5
149.05933	2.5
151.03888	23.1
153.01895	0.7
155.04898	1.4
157.06450	1.9
159.04379	5.0
161.02377	0.7
161.05965	5.8
163.03877	74.6
164.04234	0.7
165.01851	0.9
165.05489	5.0
167.03410	6.1
169.04916	4.3
169.06456	1.9
171.04417	0.6
173.02333	1.3
173.05928	5.5
175.03862	4.4
175.07384	0.6
177.05447	8.1
179.01917	0.9
179.03366	10.7
181.04962	1.2
181.06438	1.4
183.04442	2.6
185.05934	3.3
187.03839	9.2
187.05382	0.6
187.07449	0.7
189.01723	0.8
189.05412	4.5
190.88226	0.5
191.03342	10.9
193.04976	2.8
194.58424	0.5
197.05963	6.8
199.03918	0.8
201.05443	10.1
203.01587	1.2
203.03351	14.0
203.06946	3.0
205.05017	4.0
207.06454	1.1
209.05998	0.8
211.03783	1.5
213.05446	4.4
215.03450	3.1
215.06950	3.3
217.04916	2.9
219.06458	1.5
221.04326	0.9
223.02338	2.1
225.05406	3.0
227.06873	1.4
229.04918	14.2
230.05293	0.8
231.02864	1.0
231.06459	3.8
233.04378	4.8
235.02344	1.0
237.05443	1.7
239.06912	1.2
241.04817	3.5
243.02943	1.0
243.04030	0.6
243.06471	7.0
244.03598	1.0
245.04414	55.0
246.04710	1.3
247.05988	54.4
248.06352	1.3
251.05412	1.0
253.04976	2.8
255.06491	4.3
257.01648	1.1
257.04398	21.5
258.05081	2.0
259.05975	12.7
260.06586	1.4
261.07465	4.3
263.05417	1.1
265.04675	0.9
267.06479	1.7
269.04453	6.6
270.05118	0.9
271.05972	32.8
272.06384	1.1
273.03745	1.3
273.07535	1.7
274.04654	2.1
275.05444	16.9
279.06418	1.3
281.04367	2.3
283.05966	11.5
285.03879	2.7
285.07547	1.7
287.05444	23.8
288.05865	1.8
289.07022	44.9
290.07425	0.9
291.08591	25.1
295.06064	3.2
297.03970	1.5
297.07458	0.8
299.05414	8.8
301.06985	17.0
303.05402	0.9
303.08594	2.4
307.05737	1.3
309.03812	1.3
311.05481	3.3
313.06970	4.5
315.04828	0.6
317.07639	0.7
321.07666	1.1
323.05582	2.8
323.08545	0.7
327.05087	0.9
329.06570	0.9
331.08170	3.5
333.07153	0.8
335.05496	0.9
337.06839	1.1
341.06693	0.7
345.07330	0.8
349.07147	0.6
351.04861	2.0
361.06958	1.9
365.06387	1.7
367.07660	0.7
377.06436	1.7
379.08112	5.8
381.09659	1.5
383.07626	1.7
389.06369	2.4
391.07916	2.2
393.05975	3.8
393.25641	0.6
395.07425	0.7
396.07867	0.8
397.09045	3.8
403.07938	1.3
405.05316	2.8
405.10468	0.8
407.07541	18.8
408.07803	0.6
409.09116	33.5
410.09894	1.2
411.10559	5.8
417.05688	0.6
419.07523	5.5
421.09167	4.3
423.10837	1.2
425.08536	13.4
426.09015	0.7
427.10184	21.8
428.10489	0.9
431.07837	0.8
433.09030	4.5
435.10913	1.2
437.08630	7.5
439.10297	4.1
447.54300	0.7
449.08615	3.9
451.04376	0.8
451.10211	11.3
453.11530	1.9
469.10754	1.4
489.47595	0.6
517.11334	1.5
527.09381	2.5
535.11774	1.2
541.11200	1.6
545.10718	5.6
553.11304	1.8
557.10638	1.2
559.12225	3.6
561.13013	0.8
571.12256	3.7
577.13348	5.3
579.14905	8.9
589.12726	2.1
679.13971	1.7
697.15198	3.8
715.16095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.6
67.05483	0.5
68.99781	6.1
71.12294	1.1
77.03922	0.8
79.05481	0.8
81.03412	3.4
83.04961	1.2
84.63341	0.4
85.02880	0.6
89.03921	1.4
91.05461	0.7
93.03410	1.6
95.04951	2.2
99.04465	1.3
105.03407	0.8
107.04942	5.0
109.02872	2.6
111.00801	7.9
111.04426	8.0
115.05435	0.9
117.03377	1.3
119.04932	2.5
121.02840	1.8
123.04415	57.7
124.04746	0.6
127.03902	100.0
128.04201	1.1
131.04916	2.9
133.06456	0.5
135.04399	53.3
136.04681	1.0
137.02342	4.3
137.05969	0.8
137.24121	0.5
139.03882	51.0
140.04182	0.9
141.06920	1.2
143.04955	1.1
145.02832	0.7
145.06374	1.0
147.04401	6.7
149.02324	6.6
149.05963	1.8
151.03883	13.9
153.05373	0.6
153.06943	0.6
155.04909	1.4
157.06413	1.1
159.04391	4.6
161.02356	0.6
161.05975	4.0
163.03886	53.8
164.04285	0.7
165.01909	0.8
165.05470	4.5
167.03387	6.7
169.04958	1.7
169.06497	2.0
171.04456	0.5
173.02414	0.6
173.05948	3.5
175.03888	3.0
177.05467	7.6
179.03372	7.8
181.04976	1.3
181.06459	0.7
183.04408	1.9
185.05960	2.0
187.03873	7.6
187.07545	1.4
189.05411	2.8
191.01799	1.0
191.03366	9.1
193.04921	2.2
197.05972	4.4
199.03857	0.5
201.05461	8.0
203.03397	11.0
203.07013	2.2
204.27011	0.5
205.04944	2.6
207.06519	1.1
211.03940	0.5
213.05519	2.9
215.03374	3.2
215.06967	2.5
217.04962	2.0
219.06499	1.1
221.04282	0.7
223.02446	1.1
223.07516	0.5
225.05424	2.0
227.07030	1.2
229.04924	11.7
229.07211	0.6
231.02779	0.8
231.06526	2.3
233.04411	4.8
237.05470	1.1
239.07028	0.6
241.04810	2.8
243.02849	0.6
243.06427	5.7
245.04425	49.7
246.04768	0.8
247.05992	45.3
248.06348	1.1
251.05533	0.7
253.04837	2.6
255.06483	2.7
257.04428	14.0
258.05151	1.7
259.05972	9.5
260.06589	0.6
261.07608	2.7
263.05515	1.6
265.05008	1.2
267.06470	1.0
269.04431	4.6
271.05960	25.9
272.06351	0.7
273.07639	1.6
274.04672	2.4
275.05435	18.8
281.04376	2.4
283.05975	12.6
284.06497	0.6
285.04007	1.8
285.07660	1.3
286.04663	0.8
287.05453	20.8
288.05969	0.8
289.07025	33.2
291.08603	23.8
291.13574	0.7
293.04413	1.2
295.06030	2.3
297.03915	1.6
297.07281	0.7
299.05432	5.0
301.07022	13.8
303.05301	0.7
303.08551	2.5
305.04346	0.5
307.06024	1.7
309.03946	2.2
309.07208	0.6
311.05453	1.6
313.07053	2.1
321.04126	0.9
321.07584	0.8
323.05490	2.2
324.05765	0.5
331.08072	1.6
337.07065	1.0
345.07709	0.9
351.04947	2.2
361.07043	1.1
363.04831	1.1
363.08725	0.9
365.06567	1.7
377.06528	1.3
379.08203	2.8
383.07672	3.2
389.06607	1.3
391.07962	2.3
393.05893	4.3
395.07529	2.0
397.09155	5.8
405.05890	3.6
407.07593	18.4
408.07968	0.8
409.09134	28.7
410.09357	1.5
411.10617	4.6
419.07785	3.1
421.09131	3.4
423.11185	0.6
425.08502	9.5
427.10223	17.4
428.10553	1.0
431.07663	0.7
433.09201	2.2
435.10651	1.5
437.08609	7.9
439.10040	2.7
449.08582	2.7
451.10309	5.1
453.11743	1.3
461.08832	0.7
469.11288	0.7
497.98636	0.7
517.11200	3.0
527.09912	3.4
529.11011	0.9
535.12195	2.2
541.11176	1.5
543.13239	0.5
545.10468	4.8
553.11163	0.5
557.10321	1.0
559.12299	1.5
561.13837	0.6
563.12323	0.6
571.12073	1.3
577.13000	2.4
579.14935	8.4
589.13818	0.6
679.14142	2.0
697.15509	5.2
699.16669	1.0
715.16284	1.5
716.09949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	4.7
69.03410	1.1
69.07062	9.9
70.92807	1.2
70.93168	4.1
71.04983	2.9
79.05467	4.3
81.03412	1.2
81.07046	13.1
82.07298	1.4
83.01311	6.1
83.08633	2.9
91.05463	4.5
93.07038	14.6
95.08600	9.3
102.39531	1.3
104.57249	1.2
105.07012	4.1
107.08582	14.0
109.06506	2.2
109.10130	7.7
119.08578	4.5
121.06486	3.5
121.10127	17.1
123.11665	11.4
128.36514	1.2
131.08566	2.2
133.10101	6.9
135.08073	4.2
135.11668	20.1
137.05988	4.5
137.13295	2.4
139.07538	1.5
147.11668	1.9
149.05992	1.6
149.09586	3.3
149.13235	4.6
153.05450	46.9
155.07167	1.4
158.66241	1.2
159.08052	3.8
161.07561	1.2
161.13220	1.3
162.06731	4.2
163.07538	10.2
163.14871	1.7
165.05458	100.0
166.05791	2.2
167.07039	18.0
173.09625	1.9
175.14851	1.4
176.08243	1.2
177.05370	2.5
177.09085	17.5
177.16373	3.7
179.03397	2.4
179.07040	4.0
181.08559	1.9
187.07486	3.6
191.07001	8.0
191.10686	3.9
193.08580	1.5
201.09077	3.3
201.16524	1.3
203.07092	2.9
205.08574	65.7
211.09489	1.6
217.08705	1.7
219.10143	37.7
221.11708	53.9
223.09624	68.5
224.09975	1.4
231.10130	6.9
233.11763	4.8
237.11172	34.7
243.10199	5.3
245.11668	7.2
247.13246	2.0
253.12117	1.3
257.08105	2.6
257.11847	1.4
259.13327	2.3
261.11234	6.0
271.13257	3.1
273.14728	4.1
275.16376	6.6
285.14914	4.0
287.16391	28.8
289.14230	5.3
289.17865	3.8
291.15930	9.0
301.14481	2.3
303.15701	6.3
305.17480	12.1
315.15793	1.7
327.19714	1.7
331.19019	2.1
341.17572	2.9
343.18881	3.3
343.22800	4.0
345.20505	13.7
357.20551	3.7
359.22092	17.8
371.22177	4.4
377.23117	2.6
385.23895	1.9
409.27328	3.6
413.26514	1.6
421.27307	2.3
427.28577	2.1
467.31433	13.0
479.31613	8.0
535.37500	3.6
537.36121	1.8
547.37714	3.4
631.36053	8.5
687.41052	1.6
689.40405	16.7
693.66876	1.5
699.42035	5.0
701.40564	21.2
721.74902	1.3
755.45007	2.1
757.46692	9.7
769.46320	2.1
825.52032	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	4.0
69.03407	1.7
69.07063	10.4
69.53601	3.2
69.54025	2.1
71.04980	1.3
72.09309	0.5
72.78253	0.6
79.05479	3.5
81.03403	0.7
81.07049	5.8
82.74158	0.5
83.01318	4.4
83.04967	0.7
83.08594	1.7
85.15366	0.5
87.26467	0.5
91.05473	4.0
93.07034	13.5
95.04956	1.9
95.08596	3.5
95.09092	0.6
105.07016	2.0
107.04916	0.7
107.07912	0.9
107.08585	14.3
109.02887	0.7
109.06499	2.1
109.10128	5.6
111.04371	0.6
113.05990	1.8
115.58038	0.5
119.08559	3.2
121.06473	5.6
121.10127	2.8
123.08024	1.4
123.11695	10.0
131.08525	1.9
133.10143	3.5
135.08054	6.4
135.11679	16.5
137.05960	2.2
137.09558	0.6
139.03926	0.9
141.05426	1.8
143.08580	0.8
145.06392	1.2
145.10103	1.3
147.08018	0.6
147.11665	1.2
149.05949	1.2
149.09586	4.4
149.13225	1.1
149.78239	0.5
151.07539	1.6
153.05447	10.4
157.10069	0.7
159.08026	5.0
161.09610	0.6
162.06717	3.5
162.24931	0.5
163.07538	8.8
163.14812	0.7
165.05460	47.9
165.09113	1.5
166.05707	0.8
167.07060	3.2
171.11577	0.6
173.06062	0.6
173.09595	2.1
175.07524	2.0
175.11108	0.6
176.08293	2.4
177.05466	2.2
177.09099	15.8
177.12724	1.2
178.06229	0.6
179.07007	19.1
181.08562	1.2
187.07545	4.0
187.11180	1.2
189.09055	1.0
191.07001	9.6
191.08817	0.7
191.09138	0.6
191.10635	4.9
192.07767	3.4
193.08614	6.0
198.93375	0.5
201.09093	2.1
203.07033	6.5
203.10687	1.5
203.17828	1.0
204.07820	0.8
205.08575	77.4
206.08902	1.6
207.10129	1.0
209.11795	0.8
211.09604	4.1
213.09081	0.7
215.10649	2.3
216.07823	0.5
216.40038	0.6
217.08527	2.4
217.12294	0.7
218.09338	0.8
219.06731	1.1
219.10135	22.8
220.10501	0.9
221.08051	1.4
221.11685	8.3
223.09624	82.5
224.09991	1.3
225.09172	0.7
227.10507	0.7
228.11455	1.1
229.08527	2.0
229.12126	0.7
231.10132	11.1
233.11699	4.6
237.11174	16.6
241.12312	0.6
243.10155	13.8
243.13831	1.2
244.10690	0.8
245.11688	3.6
247.09558	1.0
247.13356	0.8
257.11649	0.9
259.13254	1.5
261.11188	16.2
263.12799	0.9
269.15335	1.0
271.13257	8.4
273.14655	0.9
275.13394	0.7
275.16330	3.9
277.14465	0.7
279.15921	1.1
285.14755	2.1
287.16379	74.2
288.16730	2.0
289.14304	13.9
291.15875	6.1
293.31317	0.5
301.14343	1.2
303.16049	0.9
305.17389	2.6
325.17880	0.8
327.16006	0.9
327.19525	11.1
339.28967	0.8
341.20987	1.2
343.18930	4.1
343.22662	5.0
345.20563	100.0
346.20905	1.9
355.22571	4.1
357.20554	20.3
357.25000	1.1
358.20691	0.6
363.21518	5.0
374.76230	0.5
411.24875	0.7
413.26801	22.4
414.27783	0.6
415.24875	0.7
425.27188	0.8
431.27890	2.0
483.78738	0.6
486.06430	0.7
492.83542	0.6
577.31482	0.7
635.35718	1.1
697.64099	0.6
699.42133	2.5
703.41785	0.9
755.48083	2.8
757.46600	26.1
758.46674	1.5
775.47577	1.2
825.52905	23.8
826.52850	1.7
843.54108	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.0
65.03934	3.6
67.05494	79.5
68.05815	0.8
69.03415	4.4
69.06695	1.5
69.07053	23.2
69.89091	5.2
71.04980	10.4
73.02905	0.8
79.05482	52.9
81.03411	8.7
81.07043	75.9
83.04970	7.5
83.08605	14.5
85.02899	3.4
85.06531	5.6
91.03944	1.2
91.05465	42.7
93.07030	67.8
95.04951	10.9
95.08591	49.8
97.02875	2.2
97.06518	13.7
97.10155	6.3
99.04431	1.0
99.08084	3.1
103.05438	1.3
105.03348	0.7
105.04538	1.1
105.07014	29.1
105.07733	1.4
106.01305	0.7
107.04922	3.2
107.08577	39.2
109.02863	1.2
109.06508	6.1
109.10136	31.9
111.04395	1.3
111.08060	5.8
113.05927	0.9
115.05473	1.4
117.07002	14.4
119.07742	1.6
119.08564	23.3
121.06478	2.7
121.10125	25.4
123.08041	4.4
123.11682	6.8
125.09608	4.7
127.03898	2.0
128.06168	0.9
129.05447	1.7
129.06969	4.1
130.07771	1.0
131.04968	0.8
131.08553	17.9
133.06451	0.9
133.10109	20.4
135.08080	3.8
135.11662	18.6
135.12656	1.4
137.09586	3.1
137.13237	1.3
139.11127	1.3
141.06987	1.6
143.08527	5.5
144.14934	0.7
145.06462	1.2
145.10107	15.4
147.07973	1.9
147.11674	11.5
149.09607	6.1
149.12132	1.0
149.13246	12.1
151.11186	2.4
153.12614	0.9
155.08548	1.6
155.10583	1.0
157.06401	0.8
157.10077	5.0
159.08101	0.9
159.11670	12.3
161.09607	1.0
161.13252	5.0
163.11208	4.3
163.14803	2.9
165.12730	1.1
169.10123	2.3
171.11678	3.8
173.09587	1.4
173.11696	5.1
173.13229	7.0
175.14781	3.4
177.12740	3.5
177.16254	0.8
179.14294	2.1
183.11668	2.3
184.07335	1.1
185.13261	3.2
187.11218	1.0
187.14801	4.8
189.11214	1.6
189.16353	1.3
195.11781	1.2
195.13782	4.3
197.13205	1.7
199.14822	1.6
201.16347	1.6
203.14180	0.8
211.14790	1.2
213.14790	1.0
217.15862	1.4
219.17538	1.3
227.12715	4.0
229.14319	19.6
229.16473	1.4
229.19388	1.5
239.17896	2.5
241.19518	1.0
243.21078	3.1
247.20610	1.3
257.18973	5.4
259.20508	1.8
261.22061	8.5
269.17401	12.0
275.16928	0.6
275.20004	16.8
289.21747	0.9
293.17712	1.3
293.20969	2.9
307.22714	1.4
317.24783	2.3
331.22598	1.6
335.25757	66.8
336.25928	1.1
339.17972	2.4
349.23697	17.0
363.25446	0.9
369.24289	0.9
381.26227	3.7
387.25125	1.1
405.26053	1.1
413.21710	8.9
437.34177	1.2
443.27850	0.9
453.24576	1.2
455.34915	1.1
461.28790	0.8
489.35687	15.8
507.36728	2.2
511.37372	1.2
515.37292	1.6
529.38818	100.0
530.39136	2.3
569.41925	17.9
571.39264	1.2
609.45044	32.3
627.46277	3.7
637.40643	2.2
641.47681	12.8
655.41931	2.6
673.43018	11.0
691.43793	2.9
713.45844	1.9
849.49133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.1
65.03937	4.8
67.05497	100.0
68.05827	1.9
69.03421	11.3
69.07059	47.5
71.01328	1.5
71.04992	8.5
71.08614	1.8
71.81569	1.5
73.02896	2.7
77.03915	1.6
79.05482	79.1
81.03415	17.2
81.07044	99.2
82.07363	1.2
83.01348	0.9
83.04971	15.4
83.08604	19.5
85.02888	8.5
85.06538	5.4
86.09695	5.4
87.04450	1.5
89.05997	1.1
91.05467	84.9
91.89752	0.8
92.05793	1.3
93.07031	84.0
94.07339	1.2
95.04952	17.9
95.08595	55.7
97.02868	9.0
97.06516	15.1
97.10154	12.0
99.04444	3.2
99.08064	5.5
103.05452	3.9
105.04517	1.2
105.07015	75.4
106.07365	1.8
107.04940	11.6
107.08578	49.6
109.02852	2.4
109.06503	11.2
109.10148	28.8
111.04449	1.7
111.08078	6.5
113.09625	1.6
115.05438	3.2
116.06232	2.1
117.07002	28.4
119.08566	58.9
120.08915	1.4
121.06503	5.9
121.10126	28.7
123.04420	1.1
123.08056	7.1
123.11703	7.4
124.99979	3.4
125.05953	1.0
125.09612	9.9
127.03894	5.2
128.06204	5.3
129.05519	4.2
129.06985	17.0
130.07753	2.8
131.08553	41.0
133.06482	3.6
133.10110	46.0
134.10387	1.2
135.08038	7.4
135.11681	22.3
137.09630	5.9
137.13367	1.0
139.11198	1.6
141.06952	5.5
142.07774	3.7
143.08536	16.7
144.09348	1.4
145.06474	2.9
145.10101	35.6
146.08182	1.0
146.10379	0.9
147.08066	4.9
147.11674	28.7
149.09596	13.1
149.13257	13.2
151.11131	5.0
153.06989	1.3
153.09079	1.2
153.12778	1.4
154.07710	1.1
155.08528	10.1
156.09303	1.6
157.06535	1.2
157.10115	15.9
158.10855	0.8
159.07991	2.0
159.10356	1.5
159.11673	26.6
161.09584	4.2
161.13232	14.7
163.11168	9.7
163.14798	2.1
165.06972	1.0
165.09114	1.4
165.12744	2.7
167.08511	3.6
169.10114	11.6
171.10254	1.0
171.11656	14.7
171.13043	1.5
173.04440	2.9
173.09610	2.8
173.11746	2.7
173.13196	12.3
175.11165	3.0
175.14807	4.5
177.12727	5.2
179.14288	4.1
181.10106	4.9
181.12198	1.3
183.11650	10.9
184.07324	16.3
185.09590	1.1
185.13202	8.9
187.11148	2.9
187.14786	6.1
189.11203	4.1
189.12711	2.1
191.14330	2.1
193.10114	1.2
195.11847	6.1
195.13799	5.4
197.13260	8.7
199.11241	1.1
199.14836	4.5
201.12706	1.4
201.16370	2.1
203.14328	1.3
205.12228	0.9
207.11775	1.4
207.13667	1.2
209.13318	5.0
211.14835	3.5
213.12935	1.1
213.16379	3.7
215.14407	1.3
215.17908	1.5
217.15848	1.4
219.13739	1.1
221.13293	1.6
223.13118	2.3
223.14873	2.5
225.16447	2.0
227.12718	4.8
227.17926	1.4
229.14290	4.0
229.19496	3.4
231.17430	1.4
233.15431	1.5
235.16885	2.0
237.16469	1.7
239.17920	4.5
241.19521	8.0
245.13570	1.4
245.18970	1.4
247.20522	2.5
253.14151	1.7
254.64880	1.1
255.15677	5.1
257.18970	8.8
259.20572	19.4
260.20700	1.1
261.22116	1.7
267.15823	3.0
269.17395	21.2
273.18439	3.7
275.20026	30.7
277.21567	2.1
279.17453	1.1
283.20346	0.9
285.21896	1.5
289.21661	1.4
291.19473	12.4
293.21030	2.9
297.22095	1.6
299.20178	1.3
299.23584	1.0
309.22095	1.2
313.21570	1.9
315.23395	4.2
321.21521	1.1
323.23663	1.5
325.21567	0.9
331.22897	1.6
333.24252	20.7
335.25711	3.6
339.23068	1.5
347.22433	1.3
349.23718	20.3
350.24316	1.2
351.25330	3.2
365.23264	6.1
367.24664	3.2
421.30905	2.1
423.27219	1.5
435.32471	2.1
439.31833	1.4
445.29453	1.4
449.29041	3.5
453.34042	1.1
463.30569	6.8
471.34583	1.1
487.33969	3.3
489.36444	1.1
490.58066	1.0
503.33505	1.7
509.36237	1.2
513.35724	14.7
514.35400	1.0
515.37677	3.3
525.35748	1.6
527.37238	17.5
529.35181	1.1
543.36938	8.8
545.38293	1.8
550.08618	1.0
551.41321	1.3
559.36163	7.8
561.37781	1.5
567.40460	1.5
607.43542	13.7
623.42596	3.2
624.13940	0.9
625.44556	14.2
641.43689	4.0
686.40131	1.7
689.40503	1.3
691.68835	1.0
760.01740	1.0
769.47852	1.0
854.01544	0.9
857.46375	1.9
863.79608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.6
65.03929	3.1
67.05493	100.0
68.93089	0.8
69.03424	3.6
69.07056	14.9
69.07428	0.8
71.01341	1.5
71.04977	4.4
73.02899	3.7
74.06029	0.7
78.35843	0.7
79.05117	0.6
79.05482	43.7
81.03398	8.1
81.07043	64.5
82.07373	1.2
83.01351	1.1
83.04976	7.6
83.08606	15.7
85.02886	12.5
85.06528	4.3
87.04458	3.5
88.49344	0.8
91.03920	2.0
91.05466	26.0
93.07029	40.4
95.04958	7.6
95.08591	40.1
95.09209	1.5
96.08985	0.9
97.02892	4.3
97.06516	4.2
97.10155	12.4
98.21503	1.7
99.08100	1.7
103.03954	0.8
103.93909	0.7
105.07011	16.8
106.64346	0.7
107.04958	2.6
107.07838	1.0
107.08577	26.7
109.06511	2.8
109.10139	56.5
111.04465	1.3
111.08069	3.9
112.81431	0.8
115.05429	1.0
116.89342	0.7
117.07001	6.3
118.54707	0.8
119.08556	17.0
121.06491	1.4
121.10123	15.3
123.08068	2.7
123.11682	4.3
125.09616	12.9
127.11180	1.0
129.05473	1.9
129.06987	2.0
131.08553	10.5
133.10117	9.1
135.08054	1.3
135.11667	13.7
137.09615	3.1
137.13258	1.8
139.11140	1.5
143.08565	1.1
143.10677	2.8
145.10092	11.2
147.08061	0.9
147.11670	5.9
149.09630	1.6
149.13232	5.9
153.12718	2.6
155.10692	3.4
156.76949	0.8
157.10115	1.2
159.11641	5.6
161.13206	4.0
163.11133	7.7
163.14844	3.2
171.10271	1.1
173.09575	0.9
173.10051	0.8
173.11746	12.8
173.13260	4.8
175.11151	0.8
175.14839	2.3
177.16293	0.8
179.14299	1.0
181.12251	2.5
183.11690	0.9
184.07339	1.2
185.13232	1.1
187.14868	2.8
189.11169	1.1
191.10648	2.3
193.12163	1.5
199.13223	6.4
199.14856	1.0
202.15944	1.6
209.11731	5.9
211.13278	1.5
217.14336	1.4
227.12692	6.8
229.14322	46.1
229.52364	0.9
243.21094	5.1
245.13879	1.3
257.13733	1.8
259.20706	1.8
261.22070	15.3
267.15842	4.2
283.15375	1.9
289.21606	1.0
297.21997	0.8
299.23755	0.9
300.13647	1.4
301.16446	15.4
315.23489	0.9
317.24805	2.1
327.22980	1.0
333.24496	1.0
335.25763	92.2
336.26108	3.4
399.23700	13.8
403.32175	0.8
459.34628	0.9
477.35779	7.7
489.35754	19.1
490.36115	1.8
497.76749	0.9
543.36932	2.2
561.37952	7.5
579.38757	3.2
659.45038	22.6
660.44440	1.8
665.93988	1.2
672.15424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.5
63.90027	0.9
65.03924	4.2
67.05497	77.0
69.03423	9.3
69.07061	38.6
71.01340	1.0
71.04970	7.0
71.35526	2.3
73.02906	2.6
79.05482	56.6
81.03406	17.6
81.07045	100.0
82.07390	1.0
83.04971	14.7
83.08607	18.8
85.02895	6.3
85.06519	5.2
86.09700	1.1
91.03940	1.4
91.05466	52.7
92.05785	1.5
93.07031	74.2
95.04961	19.2
95.08592	39.5
97.02868	5.8
97.06522	19.0
97.10159	8.7
99.04463	2.4
99.08070	3.5
103.03880	1.4
103.05445	1.7
105.04507	1.3
105.07018	46.0
107.04946	11.2
107.08578	47.8
109.02882	3.1
109.06512	9.1
109.10130	14.5
111.04432	2.1
111.08070	7.0
113.09621	1.5
115.05444	2.8
116.06200	1.2
117.07007	22.0
119.08566	36.5
119.09412	2.3
121.06512	5.2
121.10128	23.2
123.08064	5.6
123.11696	6.6
124.99959	1.2
125.09615	6.9
127.03891	4.4
128.06268	1.6
129.05449	2.3
129.06982	8.6
130.07718	1.4
131.08551	26.0
133.06473	2.2
133.10117	31.4
133.11133	1.5
135.08031	7.3
135.11670	25.4
135.12637	1.9
137.09573	5.0
137.13258	1.5
139.11172	2.6
141.06976	3.5
142.07761	2.2
143.08527	8.8
145.06461	1.9
145.10110	19.8
147.08057	2.3
147.11679	15.4
149.09601	15.4
149.13226	14.8
151.11134	4.5
155.08548	4.6
157.06537	1.4
157.10098	6.3
159.08086	1.9
159.11671	22.9
161.09595	2.6
161.13248	5.6
163.11168	11.3
165.12724	3.6
167.08583	1.7
169.10054	4.9
171.07997	1.0
171.11649	6.9
173.04446	2.9
173.09618	1.3
173.11852	1.8
173.13237	8.0
175.11218	2.0
177.12711	8.2
179.14253	3.8
181.10112	1.5
181.12184	1.6
183.11685	4.8
184.07394	5.0
185.13222	4.1
187.11147	2.7
187.14789	3.1
189.11223	2.1
189.12698	1.3
195.11809	1.9
195.13786	8.6
197.13266	3.4
199.14801	1.4
201.12634	1.5
205.12225	1.5
209.13329	2.1
211.14764	1.6
213.16589	1.5
219.13841	1.3
221.13123	1.1
223.14807	1.4
227.12675	6.3
227.54881	1.0
229.14287	2.2
229.19568	1.5
229.75824	1.1
233.15303	1.5
235.17061	1.7
239.17964	4.8
247.20581	3.3
251.16443	2.7
253.14333	1.9
255.15877	16.6
257.18988	10.3
259.20557	1.0
267.15851	3.1
269.17438	55.9
270.17636	1.4
275.20041	39.3
291.19370	1.3
293.21027	3.1
331.22638	3.8
349.23697	36.6
350.23663	1.0
367.24857	8.5
413.21716	2.3
431.28073	1.6
433.30756	2.0
435.27325	3.5
439.26620	1.4
445.29309	2.7
449.28992	32.4
450.28653	1.3
451.31769	1.8
463.23904	2.1
463.30493	42.1
464.30795	1.0
469.33292	2.2
473.29190	1.2
479.29764	1.2
485.32446	1.2
489.32260	1.2
503.33295	1.1
515.37268	2.1
525.35614	5.4
529.35248	11.1
531.37952	1.3
543.36761	41.0
544.36945	2.2
547.36353	2.4
559.36316	1.1
561.37537	7.9
593.32935	1.2
607.34436	3.1
623.42865	7.0
633.54755	1.1
641.43939	5.1
687.41248	1.9
691.40570	1.2
705.42560	1.2
740.64264	1.4
856.44733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34674	0.5
61.02919	2.0
65.03934	4.5
67.05494	79.0
68.48160	0.5
69.03418	11.3
69.07058	43.8
71.01350	1.3
71.04983	7.0
71.08634	0.8
71.81245	0.9
73.02905	1.5
73.06564	0.6
77.03919	0.9
79.05482	64.9
80.05822	0.9
81.03406	15.7
81.07043	100.0
82.03757	0.8
82.07378	1.4
83.04972	15.8
83.05473	1.0
83.08606	17.8
84.33115	0.5
85.02892	7.1
85.06528	5.2
86.09699	1.7
87.04433	0.9
91.05466	61.6
92.05809	1.2
93.07028	74.6
94.07360	1.1
95.04951	17.8
95.08594	45.8
97.02874	6.3
97.06516	21.7
97.07153	0.7
97.10148	9.2
99.04420	2.7
99.08070	4.3
103.05444	2.0
105.04548	1.2
105.07014	49.6
106.07330	0.8
107.04938	11.6
107.08575	47.4
109.02874	3.1
109.06500	9.1
109.10136	16.9
111.04419	1.4
111.08077	7.7
113.05963	1.1
113.09634	2.8
115.05417	2.9
116.06228	1.1
117.06998	25.6
119.04859	0.7
119.08564	35.0
121.06487	7.1
121.10125	23.6
123.04443	0.7
123.08052	5.7
123.11695	5.5
125.09618	6.0
127.03895	3.8
127.07553	0.8
128.06207	2.8
129.05440	1.7
129.06979	11.1
130.07750	2.2
131.04860	1.0
131.08543	29.9
131.71330	0.5
133.06462	4.0
133.10109	30.2
134.10449	0.6
135.08037	7.5
135.11671	24.1
137.09587	4.9
137.13257	0.9
139.11127	1.8
141.06981	3.5
141.09018	0.6
142.07751	1.5
143.08530	8.8
144.09308	0.8
145.04945	1.5
145.06473	2.4
145.10100	25.5
147.08040	2.7
147.11667	17.3
149.09604	18.0
149.13220	14.4
151.11157	3.6
153.09091	0.7
155.08516	5.0
157.10104	9.6
159.08023	2.3
159.11671	19.0
161.09584	3.2
161.13229	6.4
163.11159	13.0
163.14764	1.2
165.09077	1.3
165.12746	2.7
167.08510	1.4
167.10527	0.7
167.14287	0.8
169.10114	5.8
171.08015	0.8
171.11659	7.4
173.04427	3.6
173.09578	1.6
173.11824	0.7
173.13228	8.2
175.11140	3.1
175.14743	1.8
177.12726	7.5
179.08516	0.8
179.14252	4.8
181.10068	2.4
181.12189	2.4
181.95041	0.6
183.11676	5.5
184.07326	4.9
185.09592	0.8
185.13235	3.3
187.11122	2.2
187.13013	0.5
187.14743	2.3
189.11136	2.8
189.12714	2.3
189.16284	0.8
191.14293	1.7
193.10150	0.6
193.12135	0.9
195.11652	2.3
195.13744	7.7
197.13239	4.2
199.11110	1.3
199.14767	2.2
201.12657	1.9
201.16336	0.8
203.10637	0.5
205.12238	1.6
205.15779	0.7
207.13712	0.9
208.39616	0.6
209.13194	2.1
211.14787	2.1
213.12830	0.9
213.14746	1.8
213.16502	1.1
215.14328	1.1
215.17908	1.8
219.13829	0.9
221.13266	1.0
223.13071	0.8
223.15015	0.6
225.16441	1.2
227.12700	6.3
229.14256	1.6
229.19501	2.7
233.13168	0.8
233.15297	1.2
235.16884	1.3
239.18005	4.7
243.17470	0.6
245.13675	1.3
245.18761	1.3
247.20503	3.7
251.16339	2.0
253.14183	1.2
253.18011	1.0
255.15845	18.4
257.18970	12.4
259.20563	1.2
261.14670	0.9
263.20007	0.6
267.15848	4.9
269.17435	45.1
270.17657	1.2
273.18393	1.8
275.20023	44.4
276.20377	1.1
283.20590	0.7
285.17010	0.7
291.19345	1.4
293.17841	0.8
293.21017	4.1
301.21362	0.7
303.15616	0.8
309.20529	0.8
313.21484	1.3
315.23141	0.7
321.16754	0.8
321.24094	1.5
323.23395	0.6
327.22888	1.0
328.00296	0.6
331.22598	4.4
333.24170	0.9
337.25171	0.6
339.17554	1.3
339.22845	1.1
347.21945	1.1
349.23691	42.1
350.23843	2.3
353.24609	0.8
355.22812	0.7
365.23178	1.2
367.24805	6.6
389.26816	0.8
401.27585	0.6
413.21344	2.3
419.28452	0.7
423.27106	0.6
425.25366	0.7
431.27731	2.0
433.30237	1.5
435.27371	4.2
439.26276	1.2
445.29507	2.8
447.30743	1.6
449.28934	27.4
450.28897	0.9
451.31689	1.5
463.30539	29.3
464.30676	1.8
469.32794	1.1
479.29453	0.7
487.33911	0.7
497.35754	0.7
501.35764	0.8
503.33170	2.0
511.34238	0.8
515.30249	0.9
515.36914	1.7
525.35724	5.1
527.37274	0.8
529.35352	9.2
531.36121	0.6
543.36749	40.6
544.36652	2.8
547.35632	2.0
559.35681	0.8
561.37805	7.6
583.39142	0.8
593.32892	0.9
607.34247	2.0
623.43188	6.0
641.43793	4.4
659.44110	1.0
669.39496	0.9
687.39612	2.0
704.23224	0.7
863.43933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08139	1.1
61.02908	3.7
65.03925	4.6
67.05497	86.8
69.03429	10.5
69.07061	37.5
69.57069	10.3
71.01320	2.2
71.04989	6.7
73.02882	1.6
77.03895	1.4
78.26764	1.2
79.05484	63.5
80.05813	1.2
81.03417	14.5
81.07047	100.0
82.06544	1.4
83.04971	19.9
83.08604	18.0
85.02872	7.4
85.06535	6.0
86.09688	5.6
87.04442	1.5
91.03931	1.9
91.05470	67.5
92.28228	1.3
93.07034	77.2
95.04401	1.5
95.04966	17.1
95.08599	42.7
97.02875	8.1
97.06523	23.6
97.10162	10.1
99.04460	3.0
99.08063	4.0
103.05444	2.8
105.07020	54.1
106.07332	1.3
107.04940	11.2
107.08580	47.8
109.02876	1.8
109.06512	11.4
109.10142	19.0
111.04436	3.0
111.08057	7.1
113.09627	1.4
115.05437	3.7
117.07002	24.4
117.07787	1.9
119.08562	41.7
121.06513	7.8
121.10124	25.9
123.04443	2.0
123.08070	8.0
123.11726	6.3
124.99998	2.5
125.09603	6.2
126.94050	1.2
127.03899	3.3
128.06213	2.2
129.05493	1.8
129.07014	10.1
130.07776	1.3
131.08549	36.1
133.06487	4.4
133.09158	2.6
133.10114	34.3
135.08047	8.4
135.11681	21.5
137.09605	5.3
137.13228	1.4
139.07510	1.4
139.11156	3.3
141.06937	4.6
142.07713	2.0
143.08554	12.5
144.09254	1.6
145.04935	1.5
145.06465	2.3
145.10089	26.1
146.08061	1.5
147.08070	2.2
147.11679	17.7
149.09595	13.2
149.13242	17.7
151.11150	3.8
155.08546	7.7
157.10095	12.4
159.08032	2.6
159.11679	22.6
159.94739	1.2
160.12042	1.2
161.09615	3.0
161.13257	6.9
162.55119	1.2
163.11179	11.2
165.06949	1.8
165.12753	3.6
167.08533	2.2
168.09453	1.5
169.10112	5.6
171.11679	9.0
173.04448	2.9
173.09619	1.7
173.13217	8.8
175.11137	1.6
175.14822	2.6
177.12770	6.9
179.14282	3.0
181.10170	2.7
181.12263	3.2
183.11671	7.9
184.07312	15.4
185.13211	6.5
187.11090	1.4
187.14799	4.1
189.11171	2.6
191.14247	1.6
195.11961	1.9
195.13771	8.7
197.13197	4.9
199.11176	1.3
199.14864	3.1
201.16434	1.6
209.13284	2.3
211.14793	2.0
217.15836	2.2
219.13722	2.1
225.16393	1.8
227.12729	4.3
229.14279	1.6
229.19464	2.1
235.16933	1.3
239.17941	6.9
247.20601	2.1
253.14252	1.7
255.15900	15.5
257.18948	13.0
259.20493	2.0
267.15918	3.3
269.17447	44.6
270.17731	1.7
273.18460	3.4
275.20053	43.7
286.14587	1.3
291.19629	3.4
293.18054	1.2
293.21054	6.7
303.16074	1.7
309.20786	1.5
321.24200	1.8
331.22595	2.9
333.24185	4.0
349.23712	38.2
365.23566	2.4
367.24908	7.9
419.24219	1.6
435.27216	3.7
445.29337	1.8
449.28934	22.3
451.31985	2.3
463.30515	22.8
503.33801	2.6
515.37189	1.6
525.35791	5.0
527.36951	1.6
529.35089	9.6
543.36737	32.8
547.36261	2.8
552.79053	1.2
561.38190	7.1
607.35175	2.2
623.42932	7.3
641.44147	6.4
687.41449	1.6
883.58881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.3
65.03918	3.8
67.05495	75.0
67.71837	0.8
69.03413	9.0
69.07059	32.9
70.41199	3.8
71.04990	7.2
71.08603	1.3
71.95172	0.8
73.02892	1.4
73.78990	0.9
77.03886	1.0
77.13808	0.9
79.05482	49.6
81.03414	13.0
81.04148	0.9
81.07045	83.6
83.04968	15.3
83.08611	11.2
85.02896	4.1
85.06528	6.2
87.04475	1.5
89.06001	2.3
91.05469	66.2
93.07030	57.1
95.04963	16.9
95.07993	1.8
95.08598	33.1
97.02879	3.5
97.06516	13.9
97.10137	5.4
99.04453	2.6
99.08077	2.2
103.05435	2.7
105.07017	57.2
106.07364	1.1
107.04934	11.0
107.08580	45.4
109.02873	2.2
109.06506	11.2
109.10144	50.6
110.10442	1.5
111.04417	1.6
111.08070	5.5
113.05970	3.0
113.09648	1.1
115.05428	1.9
117.07005	17.9
119.04901	1.4
119.08559	25.3
121.06506	9.4
121.10134	14.7
123.04416	1.9
123.08036	6.2
123.08752	0.8
123.11703	7.7
125.09594	2.9
127.03841	1.6
127.07545	2.7
128.06206	2.7
129.05452	1.6
129.07005	8.0
130.07724	1.5
131.04927	1.0
131.08554	23.1
133.06485	4.1
133.10110	69.6
135.08035	10.4
135.11673	11.7
137.09569	4.4
139.11140	1.4
141.06944	1.5
142.07774	1.8
143.08556	8.1
145.06482	2.4
145.10112	15.4
147.08011	4.6
147.11678	10.9
149.09602	17.6
149.13242	7.8
151.11160	30.1
151.86867	0.9
153.09077	0.9
155.08539	2.0
156.09294	1.0
157.10078	5.1
159.08006	2.8
159.11668	13.1
161.09593	7.1
161.13242	5.5
163.11166	8.5
165.09123	1.3
165.12798	1.3
167.08566	1.0
169.10117	2.6
169.12184	4.9
171.11693	3.8
173.04465	1.9
173.09610	2.0
173.13240	3.6
175.11168	5.3
175.14822	1.3
177.09058	1.8
177.12794	4.4
179.10690	2.5
179.14293	3.5
181.10098	1.1
181.12149	1.6
182.88190	1.0
183.11653	2.9
184.07304	3.1
185.13251	2.6
187.11150	2.6
189.12708	2.5
189.16386	1.0
193.10229	1.1
193.12143	1.4
195.11919	1.1
195.13808	3.3
197.13284	1.5
199.14836	1.6
201.12814	1.2
203.14253	1.0
205.12146	1.8
211.14847	1.2
213.16457	1.6
215.12701	4.6
216.89301	0.9
217.12190	1.3
223.13197	1.2
227.12759	1.6
227.17847	1.6
229.14238	1.2
229.19569	1.4
232.34273	1.0
235.16988	1.2
239.17882	2.5
245.19016	3.8
247.20561	1.4
251.12746	1.8
251.16472	1.3
253.14316	100.0
254.14758	2.1
255.15416	4.5
257.18988	7.2
263.20047	2.9
267.15878	2.0
269.17441	15.8
271.15372	3.4
273.18454	23.8
274.18872	1.2
275.20029	25.5
291.19501	22.3
293.21176	2.1
309.20599	2.7
329.21359	1.3
331.22455	1.0
347.22144	8.8
349.23688	18.2
365.23184	29.0
366.23553	1.0
367.24820	2.9
447.27527	5.6
451.26852	4.0
456.38556	1.0
463.26358	1.5
465.28445	10.6
527.34094	5.1
541.35181	7.5
545.34698	21.6
546.35339	1.2
559.36212	45.5
560.36353	3.6
569.64398	1.1
591.31281	1.5
621.41309	2.5
623.42670	1.6
639.42566	12.7
657.43231	4.2
703.40405	1.8
750.04041	1.0
789.32733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.9
65.03916	3.1
67.05493	64.2
69.03058	0.9
69.03419	12.8
69.07057	39.9
71.04990	5.6
71.24313	1.4
73.02882	1.1
77.03903	1.6
79.05480	48.4
81.02960	0.9
81.03409	11.4
81.07043	69.8
82.07384	1.0
83.04966	10.8
83.08603	15.2
85.02888	3.6
85.06537	3.6
88.21484	0.6
91.05465	48.5
93.03307	0.8
93.07029	51.2
95.04955	16.5
95.08591	29.4
97.02876	10.6
97.06520	12.9
97.10147	14.2
99.04454	1.6
99.08069	2.2
103.05442	2.4
105.03293	0.7
105.07015	42.0
107.04940	13.1
107.08579	35.2
109.02859	1.8
109.06499	8.7
109.10130	23.6
111.04399	2.5
111.08053	5.7
113.06008	1.6
113.09644	1.3
115.05434	1.3
117.06991	16.5
119.04917	1.3
119.08561	23.2
120.05683	0.8
120.29655	0.6
121.06487	7.2
121.10122	15.4
123.04416	1.4
123.08037	6.1
123.11669	4.4
125.09599	12.5
127.03886	2.2
127.07519	0.8
128.06212	2.1
129.05423	0.8
129.06973	6.8
130.07788	1.7
131.04883	1.0
131.08549	21.3
133.05594	0.8
133.06453	4.4
133.10110	31.7
134.07278	1.5
135.08034	7.9
135.11665	12.6
137.09581	3.8
141.06943	1.5
142.07771	1.1
143.08539	7.3
144.09286	0.8
145.06476	2.4
145.10103	15.9
147.08023	6.8
147.11661	8.7
149.09592	11.3
149.13219	9.5
151.07449	0.8
151.11159	9.7
153.09030	1.0
155.08496	2.0
157.10091	5.4
159.07986	1.1
159.11667	12.2
161.09608	5.7
161.13219	3.9
163.11131	8.1
165.09048	1.5
165.12708	1.0
167.08551	0.9
169.10048	2.4
169.12238	1.8
171.11667	3.8
173.04427	1.2
173.09586	1.4
173.11829	1.1
173.13213	3.6
175.11191	4.4
175.14790	1.2
177.09024	1.1
177.12683	4.9
179.10669	1.5
179.14211	0.9
181.12198	1.2
183.11635	1.9
184.07300	1.6
185.13205	1.9
187.11125	1.5
187.14806	1.1
189.09607	1.0
189.11159	5.6
189.12720	1.6
191.14371	1.5
193.12131	1.1
195.12206	0.8
195.13788	5.5
197.13239	0.9
199.14752	0.8
201.12802	1.4
203.14331	1.5
203.18211	0.9
205.12213	1.9
207.13838	0.9
211.13100	1.0
211.14886	1.0
213.14708	1.0
215.12625	1.6
217.15813	0.8
219.13792	1.0
223.13235	17.6
227.12715	9.6
227.17882	1.2
229.19527	1.8
237.16461	0.9
239.17900	1.3
245.18881	3.3
247.20547	1.6
249.14850	2.9
251.12755	0.9
253.14293	19.6
255.15646	7.5
257.18973	5.0
262.15704	1.0
263.20007	2.8
267.15820	2.2
269.17422	29.3
270.17746	1.0
273.18460	21.7
275.20013	17.4
283.15399	0.7
285.17035	1.0
291.19495	100.0
292.19888	1.8
293.20993	2.1
297.17114	0.7
303.73535	0.7
309.20642	1.9
313.25415	0.7
331.22629	1.7
347.22162	5.8
349.23682	16.7
350.23947	1.1
356.12082	0.7
365.23181	50.9
366.23367	0.8
367.24936	3.6
413.21811	1.2
447.26910	1.5
461.29056	1.6
465.28232	2.2
479.29941	1.2
519.32855	1.6
527.33374	2.2
535.32599	0.9
541.35309	5.8
545.26630	1.5
545.34662	21.4
546.35052	1.2
559.36237	86.1
560.36462	2.9
577.37158	0.9
599.39288	1.1
609.40845	0.9
621.41284	3.0
639.42487	20.2
640.43427	0.8
657.43555	4.4
703.39941	2.2
854.45483	1.1
859.17615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	0.9
61.23592	0.6
65.03928	2.1
67.05495	45.8
69.03418	12.4
69.07059	38.8
70.81322	1.8
71.04413	1.1
71.04995	4.2
71.08636	0.6
73.02874	0.9
74.39659	0.6
77.03892	1.1
79.05482	40.8
81.03402	11.0
81.07044	48.0
83.04960	9.9
83.08607	13.5
83.91131	0.6
85.02882	2.7
85.06503	3.1
91.05466	34.0
93.07030	40.5
95.04955	11.2
95.08008	1.3
95.08595	21.1
97.02314	1.0
97.02881	11.3
97.06518	11.9
97.10155	15.3
99.04401	1.2
99.08070	1.4
103.05468	1.5
105.04463	0.9
105.07018	27.7
107.04942	13.5
107.08577	25.1
109.02883	1.8
109.06503	6.0
109.10147	11.1
111.04395	1.0
111.08087	4.3
113.09675	1.0
115.05451	1.2
117.06998	14.5
119.04934	1.7
119.08569	21.0
121.06511	5.7
121.10114	11.4
123.08031	4.9
123.11682	2.2
125.05971	0.8
125.08697	0.9
125.09614	13.3
127.03884	1.9
128.06207	2.1
129.05515	1.1
129.06973	5.8
130.07767	1.4
131.08549	16.7
133.06456	4.1
133.10110	15.2
134.07266	2.2
135.08037	5.8
135.11678	10.2
137.09598	3.4
139.11130	0.9
141.06943	1.5
142.07709	1.4
143.08531	5.9
145.06419	1.7
145.10103	13.0
147.08037	6.1
147.11646	8.0
149.09607	9.5
149.13240	8.7
151.11130	2.7
153.09125	1.0
155.08519	2.6
157.10095	4.9
159.08009	1.8
159.11687	10.1
161.09618	3.5
161.13228	2.9
162.10423	0.9
163.11165	5.9
165.09070	1.6
165.12752	1.1
169.10016	1.4
169.12202	1.3
171.10242	1.1
171.11653	3.4
173.04402	1.4
173.09674	1.0
173.11855	0.9
173.13184	3.7
175.11198	3.6
175.14699	1.0
177.09042	0.6
177.12729	3.4
179.14262	1.8
181.12209	1.0
183.11603	1.5
185.13148	1.6
187.11133	1.0
187.14777	0.9
189.11206	5.7
189.12686	1.2
193.12190	1.2
195.05646	0.7
195.11777	1.2
195.13794	3.7
197.13193	1.1
199.14856	0.9
205.12154	1.7
208.06406	0.6
209.13286	0.9
209.66776	0.7
213.14812	0.9
213.16505	0.8
223.13249	17.9
227.12727	10.4
227.17892	1.2
233.15273	1.0
233.91560	0.9
239.17871	1.5
245.18933	1.3
247.20634	1.3
249.14818	3.4
251.16460	0.8
253.14371	2.7
253.18126	0.9
255.15730	6.4
257.18988	4.7
263.19922	1.0
265.96747	0.6
267.15839	2.1
269.17441	18.3
273.18460	13.5
275.20026	18.2
291.19498	100.0
292.19891	1.8
293.17587	0.9
293.20981	1.7
309.20505	1.8
331.22565	1.5
347.22125	3.7
349.23721	18.8
365.23196	42.9
367.24603	2.2
413.21512	1.2
461.29282	1.1
493.28189	0.8
519.33936	0.9
527.33606	1.4
535.32434	0.9
541.34869	2.6
545.34656	16.3
557.34985	0.9
559.36230	58.2
560.36212	1.0
599.38550	1.0
611.12622	0.7
621.41418	2.7
639.42505	23.0
657.43433	4.5
703.39484	1.2
732.16064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27674	0.9
61.02910	2.6
65.03922	3.9
67.05494	84.4
69.03417	14.6
69.07058	44.9
70.40013	0.9
71.01337	1.0
71.04987	8.0
71.39719	0.9
71.81506	1.6
73.02897	1.2
73.18782	1.0
79.05479	62.2
81.03400	17.3
81.07042	87.1
83.04964	16.5
83.08605	17.8
85.02870	4.6
85.06538	5.5
86.09687	1.4
91.05464	67.2
91.67240	1.0
93.07028	70.2
95.01314	0.9
95.04955	18.0
95.08589	35.8
97.02878	11.2
97.06512	17.0
97.10153	13.9
99.04438	1.8
99.08072	2.9
103.05441	2.6
105.07011	57.5
107.04935	17.1
107.08575	49.9
109.02839	3.1
109.06499	10.7
109.10139	32.5
111.03613	0.8
111.04413	2.1
111.08069	6.5
113.05976	2.0
113.09631	1.4
115.05425	3.3
116.06146	1.0
117.06995	17.3
117.28131	0.9
119.04931	2.3
119.07723	2.0
119.08559	31.3
120.20873	0.9
121.06502	10.8
121.10119	19.5
123.04400	2.6
123.08033	6.8
123.11667	7.6
125.09614	9.4
127.03897	2.9
127.07533	1.5
128.06177	1.9
129.06953	7.9
130.07739	2.4
131.08542	26.9
132.05676	1.0
133.06465	5.7
133.10104	49.3
135.08035	8.4
135.11665	17.7
137.05988	1.0
137.09593	5.1
139.07495	1.0
141.06958	3.0
142.07741	2.3
143.08537	8.4
145.06491	2.2
145.10107	19.0
147.08041	9.2
147.11670	12.2
149.09608	15.5
149.13242	9.9
151.07509	1.4
151.11142	17.2
153.09065	1.1
155.08524	2.9
157.10101	8.5
159.08040	2.8
159.11642	17.1
160.08722	1.2
161.09592	7.4
161.13235	3.8
163.11177	11.0
165.09056	2.7
165.12721	1.9
169.10114	3.6
169.12213	3.2
171.10213	1.0
171.11716	5.7
173.04459	2.5
173.09525	2.0
173.11755	1.8
173.13246	5.5
175.11189	5.0
175.14867	1.8
177.09128	2.1
177.12723	4.8
179.10645	1.8
179.14305	2.3
181.12213	1.5
183.11632	2.4
184.07341	3.0
185.09668	1.1
185.13188	3.1
187.11124	2.4
189.08989	1.1
189.11168	4.9
189.12671	2.0
193.12314	1.5
195.11932	1.5
195.13766	7.8
197.13264	1.8
199.14740	2.3
205.12170	2.4
207.13824	1.2
211.13239	1.3
213.12733	1.3
213.16473	1.1
215.12726	1.8
215.17757	1.3
223.13228	15.4
227.12698	7.2
227.17899	1.8
239.17905	3.1
245.19009	4.4
247.20479	1.1
249.14862	3.0
253.14311	40.5
255.15598	7.7
257.18918	6.6
263.20044	2.5
267.15894	3.1
269.17422	34.4
271.15314	1.5
273.18436	26.6
275.20001	25.6
291.19489	100.0
292.19766	2.3
293.21008	2.7
309.20508	3.9
331.22617	2.3
347.22110	8.5
349.23700	22.3
365.23172	58.7
367.24518	2.8
447.27350	1.8
451.26935	2.0
461.28857	2.4
465.28223	5.2
519.32684	1.3
527.33484	2.6
541.35339	8.0
545.26434	1.6
545.34650	23.1
559.36249	86.8
560.36292	2.7
611.42517	1.3
621.41449	2.6
639.42609	22.1
657.43048	4.3
703.40253	1.7
854.45386	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	17.8
65.03935	3.4
67.05493	97.2
68.05842	1.2
69.03418	7.2
69.07057	19.5
71.01354	1.7
71.04979	8.2
71.79921	1.0
73.02907	7.9
77.03907	0.8
79.05480	42.7
80.05824	0.8
81.03403	19.3
81.07044	73.4
83.01344	1.1
83.04968	13.5
83.08105	1.2
83.08607	21.1
85.02893	30.7
85.06536	6.0
87.04446	4.6
91.03940	11.3
91.05466	30.7
93.07028	47.9
95.04957	10.9
95.08592	24.7
96.04475	1.0
97.02880	14.8
97.03481	1.2
97.06510	12.5
97.10156	16.2
99.04443	2.3
99.08096	2.9
103.03916	1.5
105.07015	11.8
107.04929	6.1
107.08577	29.6
109.02851	1.3
109.06480	4.3
109.10140	57.2
110.10482	1.2
111.04455	3.9
111.08067	8.6
115.03938	1.5
115.05468	1.1
116.04698	2.1
117.07004	9.6
119.08566	13.0
121.06483	3.6
121.10127	13.4
123.08039	3.5
123.11685	5.4
125.09607	14.0
127.03885	5.7
129.05489	6.0
129.06982	2.4
130.07793	0.9
131.08557	10.6
133.06567	0.8
133.09096	0.6
133.10103	13.3
135.07988	3.4
135.11676	12.3
137.09604	5.2
143.07016	1.3
143.08514	1.1
143.10664	2.1
145.04967	5.9
145.06432	0.9
145.10120	6.1
147.07993	1.8
147.11639	5.1
149.09567	3.3
149.13225	13.4
149.14307	1.1
151.11168	2.3
153.12735	3.1
155.10587	3.6
157.08809	1.1
157.10114	3.3
159.11661	7.4
163.05983	6.2
163.11182	9.8
165.12762	3.4
173.04453	1.3
173.09570	2.0
173.11720	14.9
173.13101	1.4
175.11188	1.6
177.12704	4.8
179.14293	0.8
181.12276	2.5
184.07365	0.8
185.11688	1.4
187.14932	0.8
189.11220	1.9
191.10616	3.8
193.12234	6.7
195.13766	12.2
199.13280	6.5
202.25529	0.7
209.11679	5.8
211.13271	7.3
213.14857	2.7
227.12750	8.8
228.66988	0.7
229.14314	50.4
230.14685	0.9
234.99489	0.6
239.16321	5.4
241.14211	0.7
249.14832	1.2
251.16354	1.0
255.15910	1.9
257.13861	1.0
265.14246	1.7
267.15869	15.3
269.17438	53.2
275.20105	0.9
283.15387	7.7
285.17017	3.7
295.84958	0.7
297.17041	1.3
301.16376	19.6
313.16458	1.7
323.18503	1.8
329.24509	0.8
349.24042	1.0
357.24310	2.4
357.84793	0.7
367.22540	0.8
375.25076	0.7
393.26407	2.2
411.27438	6.1
423.27359	43.3
431.28085	4.0
437.25095	0.6
449.28708	3.3
455.26401	1.2
459.27322	0.9
463.30792	0.9
477.28342	5.2
495.29471	100.0
496.29675	2.8
513.30554	29.3
513.38232	1.6
639.34210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	13.1
65.03925	2.5
67.05492	61.9
69.03416	7.6
69.06698	1.3
69.07057	18.4
69.47458	2.9
69.47883	3.5
70.06532	0.7
71.01331	1.9
71.04974	4.6
71.08611	0.7
73.02905	6.5
76.23683	0.6
79.05479	37.7
80.05836	1.0
81.03403	18.5
81.07041	68.8
82.04176	2.6
83.01363	0.6
83.04959	12.3
83.08113	1.2
83.08605	20.0
84.02135	0.8
84.05758	1.0
85.02890	19.0
85.06527	4.7
87.04446	1.1
91.03945	9.0
91.05465	28.2
92.49318	0.6
93.07030	48.6
94.07836	0.8
95.04951	15.1
95.08587	23.9
96.05746	0.8
97.02880	11.2
97.06515	11.7
97.10149	13.2
98.07288	3.8
98.20673	1.3
99.04427	2.0
99.08052	3.1
101.05985	0.7
103.05453	1.1
105.07005	13.5
107.04929	6.1
107.08573	31.2
109.02867	2.2
109.06499	4.6
109.10136	18.7
111.04427	2.7
111.08057	8.9
113.05994	1.0
115.05427	0.6
116.04684	7.1
117.05507	0.8
117.06996	10.0
119.08560	11.6
121.06478	4.1
121.10120	17.9
123.04437	0.8
123.08046	4.4
123.11685	3.7
125.09601	12.9
127.03880	4.2
127.07478	1.1
127.11187	1.3
128.06229	0.7
129.05460	15.8
129.06921	3.2
130.07788	0.7
131.08546	12.1
133.06480	1.0
133.10106	15.1
135.08044	2.9
135.11665	13.1
136.08829	0.6
137.09599	3.0
139.07474	0.8
139.11145	1.0
141.09064	0.8
143.03365	0.7
143.06998	3.3
143.10704	1.9
145.04993	3.5
145.06499	0.7
145.10086	5.9
147.08028	1.8
147.11668	7.4
148.12367	1.0
149.09610	3.9
149.13237	24.3
151.11166	1.8
153.09142	1.9
153.12764	1.5
155.08569	0.7
155.10664	1.8
157.08601	6.6
157.10110	4.4
158.05711	2.3
159.11667	12.8
159.12971	1.1
161.09550	0.7
161.13228	0.7
163.06006	4.3
163.07283	0.6
163.11165	6.2
165.12747	2.8
167.10631	0.8
167.14264	1.3
171.06517	2.6
171.10175	2.3
173.04445	1.6
173.09549	1.4
173.11749	4.7
175.11119	3.5
177.12700	6.4
181.12210	2.1
185.08118	0.6
185.11621	0.8
189.09439	1.1
189.11145	5.7
191.10718	3.6
193.10529	0.9
193.12213	7.6
195.13776	16.2
199.09602	0.7
199.13261	13.4
200.14009	1.5
201.14607	0.7
209.11740	8.0
210.12436	0.8
211.13235	6.1
213.14854	2.8
217.14317	1.1
227.12721	8.6
229.14252	4.9
241.14319	0.9
251.16365	0.8
255.15817	3.2
260.59137	0.7
265.14288	1.7
267.15872	13.6
269.17438	77.9
270.17902	2.5
283.15363	16.2
284.15936	1.1
285.16928	6.1
295.19296	0.7
301.16406	33.7
311.18851	0.6
323.18542	3.0
323.80820	0.6
339.18069	0.8
351.21609	2.0
365.22845	1.0
367.22571	0.7
373.18570	0.7
383.28217	1.4
389.18069	0.7
393.26337	7.1
411.21756	0.9
411.27332	19.0
413.21609	2.7
423.27359	50.6
424.27567	1.7
431.27628	1.2
449.28781	2.1
459.27231	4.3
461.28760	7.1
477.28418	22.2
478.29019	6.0
479.29727	1.2
495.29459	100.0
496.29819	3.3
567.31262	1.0
603.31091	0.6
621.32843	2.3
623.34277	0.7
639.33771	6.5
640.34131	0.8
657.34595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	8.7
65.03915	1.8
67.05493	24.1
69.03416	6.0
69.07053	7.3
69.07407	0.3
69.61679	3.6
71.01348	0.5
71.04981	4.8
73.02911	3.1
73.06557	0.6
77.03894	0.5
79.05479	28.6
80.05802	0.4
81.03403	83.7
81.07042	31.2
82.03733	0.7
82.07384	0.6
83.04452	0.7
83.04967	17.3
83.08606	32.0
85.02892	37.8
85.06535	2.0
87.04453	1.0
91.03940	5.6
91.05466	36.6
92.05794	0.6
93.07028	20.8
94.07375	0.4
95.04952	35.1
95.08591	11.2
95.09200	0.5
96.04504	0.6
97.02877	9.3
97.06513	4.9
97.10154	4.4
98.21533	0.7
99.04452	0.9
99.08086	1.4
101.50261	0.3
103.05470	0.6
105.04542	0.5
105.07011	27.4
106.07342	0.4
107.04934	8.6
107.08575	8.6
109.06503	6.3
109.10139	3.6
111.04431	3.2
111.08059	13.9
113.05981	3.2
115.03882	0.5
115.05428	2.1
116.06282	0.4
117.06986	2.6
119.04922	0.8
119.08560	24.2
120.08967	0.5
120.46066	0.4
121.06470	2.3
121.10126	10.2
123.04354	0.6
123.08051	3.6
123.11681	2.2
125.05978	0.5
125.09578	2.0
127.03891	2.9
127.07545	1.2
128.06201	0.6
129.05537	0.6
129.06985	14.2
131.08545	15.5
133.06480	3.6
133.10104	17.0
134.35306	0.4
135.08026	0.6
135.11697	0.9
137.09625	2.7
141.06915	0.6
142.07768	3.3
143.08618	0.6
144.06538	0.4
145.04948	2.4
145.06425	0.4
145.10110	2.8
147.08044	4.9
147.11661	20.7
149.09587	8.2
151.07498	0.5
151.11163	0.5
157.10107	20.1
158.10608	0.5
163.06012	2.4
163.11169	1.2
165.12758	5.4
171.08026	0.5
175.11162	22.0
176.11461	0.6
193.12213	61.9
194.12561	1.1
211.13257	86.6
212.13603	1.8
214.13469	0.4
223.13223	0.7
227.12717	0.5
229.14342	0.9
233.15349	0.5
249.14882	1.3
267.15875	47.3
268.16339	1.0
273.14920	0.6
285.16913	88.6
286.17215	2.7
349.21606	0.9
367.22559	2.9
385.23669	4.6
403.24710	1.4
429.21042	0.7
433.25833	2.9
441.26462	2.2
459.27332	38.6
460.27640	1.8
477.28424	40.1
478.28870	1.2
495.29468	100.0
496.29843	4.0
504.13821	0.5
621.32336	0.8
639.33508	2.1
699.79633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	16.4
65.03938	3.6
67.05495	100.0
68.05836	0.9
69.03413	7.7
69.06682	1.3
69.07059	17.8
71.01344	2.8
71.04977	8.8
71.08616	0.8
71.80639	0.8
71.81074	1.0
73.02906	7.7
77.03939	0.7
79.05483	39.5
81.03407	19.8
81.07045	74.1
82.07385	1.2
83.01341	1.2
83.04974	10.9
83.08606	22.3
85.02895	31.9
85.06534	6.3
86.09691	0.7
87.04453	5.2
91.03944	14.5
91.05466	29.9
91.06042	1.5
93.07031	47.3
94.07333	1.2
95.04959	11.2
95.08591	23.2
97.02879	15.3
97.06514	12.7
97.10152	17.0
99.04447	3.4
99.08080	2.4
103.03945	1.5
105.07014	13.2
107.04932	5.9
107.05482	0.6
107.08578	30.1
108.08923	0.7
109.02876	2.5
109.06513	4.6
109.10142	60.0
110.10500	1.4
111.04452	3.3
111.08061	8.8
113.05973	0.8
115.03947	1.2
115.05431	0.7
116.04688	1.5
117.07008	10.0
119.08565	12.6
121.06508	3.3
121.10131	12.9
123.08049	3.9
123.11686	4.5
125.09608	12.5
127.03866	6.0
129.05455	6.7
129.06970	3.5
130.07837	0.7
131.00252	0.6
131.08542	9.3
133.06508	0.7
133.10117	13.9
134.10495	0.7
135.08028	2.2
135.11702	11.5
137.09599	3.9
137.13141	0.7
139.03851	0.9
139.11163	0.9
143.06992	1.1
143.08601	1.0
143.10675	2.9
145.04945	6.8
145.10100	6.4
147.08035	1.2
147.11662	6.9
149.09604	2.4
149.13228	12.8
149.14301	1.2
151.03874	0.7
151.11186	2.3
153.12706	3.4
155.08629	0.9
155.10643	3.3
157.08713	0.9
157.10109	1.9
159.11670	8.4
163.05978	7.1
163.11160	9.4
165.12746	4.5
171.06548	1.1
173.04431	2.1
173.09586	1.8
173.11705	15.7
175.11166	3.3
177.12750	4.5
180.08687	0.6
181.12234	2.6
183.13829	0.8
184.07323	1.5
185.11707	1.6
189.11259	1.4
191.10681	4.6
193.12212	7.3
195.13791	12.6
199.13223	6.6
209.11676	6.5
211.13245	6.9
213.14850	1.5
227.12733	11.0
229.14320	52.9
230.14677	1.7
233.15498	0.7
239.16385	6.1
241.14314	1.1
245.13766	0.9
251.16432	1.6
255.15906	1.8
257.13870	1.6
265.14386	1.7
267.15869	17.6
269.17441	53.2
270.17694	0.9
283.15381	9.0
285.16956	2.9
297.16873	1.3
301.16437	20.1
313.16446	2.2
323.18555	2.5
339.22946	0.9
349.23947	1.1
353.19604	0.8
357.23972	1.3
393.26352	2.4
409.85675	0.7
411.27466	5.4
422.26361	0.8
423.27371	41.4
424.27777	2.6
431.27844	4.5
439.26874	1.3
449.29199	3.4
455.26282	2.4
459.27505	1.8
477.28461	5.5
495.29468	98.4
496.29572	4.5
513.30554	29.6
513.38245	1.3
514.31097	1.2
639.33832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.53
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94791	0.3
61.02917	5.0
65.03915	0.4
67.05495	22.3
68.05771	0.3
69.03416	1.3
69.07061	8.7
70.03442	0.9
70.03856	0.7
70.04517	0.3
71.01344	2.2
71.04977	1.6
71.08623	11.6
73.02905	1.6
76.22691	0.3
76.32418	0.3
79.05483	17.1
81.03399	2.9
81.07046	13.7
83.04974	4.4
83.08109	0.3
83.08604	6.2
84.97980	0.3
85.02898	6.8
85.06519	1.8
85.10170	7.1
86.09690	0.4
89.05996	0.7
91.03946	4.2
91.04929	0.5
91.05467	6.7
93.07030	22.0
95.04956	1.9
95.08591	11.5
96.18202	0.3
97.02875	3.4
97.05882	0.3
97.06514	6.4
97.10159	9.1
99.04398	1.0
99.08057	1.0
99.11703	0.4
101.06104	0.3
103.07518	0.5
105.07020	1.9
107.04933	0.8
107.08578	15.7
108.08900	0.3
109.06488	0.4
109.10135	6.0
111.08046	0.8
111.11684	1.1
117.07004	2.3
119.08549	2.6
121.06444	1.0
121.10112	3.5
123.11691	1.6
125.09560	1.0
127.03891	1.7
130.07751	0.4
133.10118	2.4
135.11676	32.4
136.11771	0.3
137.09532	1.3
137.13231	0.6
139.07478	0.3
143.08556	0.5
145.04926	1.7
145.10106	5.7
151.14824	0.4
153.12709	1.1
163.06018	2.5
163.11179	4.3
181.12210	8.0
184.07355	1.6
199.13307	1.3
200.63994	0.3
226.38129	0.3
239.23615	1.6
255.15883	100.0
256.16238	1.4
257.24707	1.0
313.27319	38.0
314.27655	0.7
335.25824	0.4
475.33578	0.3
493.38824	79.3
494.39032	2.2
568.82373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.1
65.03909	0.8
67.05495	10.5
69.03416	2.5
69.07055	3.9
70.06573	0.3
71.01312	0.8
71.04976	2.9
73.02911	2.4
77.03873	0.3
79.05481	13.7
81.03406	29.7
81.07045	15.0
83.01331	3.6
83.04967	9.5
83.08609	13.8
84.04484	0.3
85.02893	16.0
85.06541	1.3
87.04435	0.5
91.03442	0.3
91.03950	4.0
91.05467	15.0
91.20831	0.2
92.05812	0.3
93.07030	14.2
95.04953	13.2
95.08022	0.4
95.08587	5.4
96.04478	0.4
97.02874	5.6
97.05961	0.3
97.06519	3.4
97.10152	2.5
99.04444	1.9
99.08048	0.7
101.02293	0.3
103.05450	0.4
105.07018	10.2
107.04936	6.5
107.08580	8.1
109.02832	0.6
109.06505	4.4
109.10126	1.9
111.04418	2.6
111.08060	4.9
113.05971	1.1
115.03931	0.3
115.05402	0.9
117.07001	3.7
119.04963	0.4
119.08566	11.2
121.06503	2.0
121.10128	7.3
123.04379	0.3
123.08049	5.4
123.11661	1.0
125.05962	1.0
125.09627	1.2
127.03899	1.9
127.07567	0.3
128.06183	0.3
129.05478	0.4
129.06987	5.1
130.07744	0.7
131.08556	6.2
133.06503	1.1
133.09175	0.4
133.10109	5.6
135.08022	1.0
135.11674	6.7
137.09639	1.4
139.07481	0.4
140.65874	0.2
142.07780	1.2
143.08508	0.5
144.06532	0.3
145.04913	1.6
145.06413	0.6
145.10103	8.8
146.08067	0.4
147.08040	2.9
147.11661	7.3
148.06056	0.3
149.05933	0.6
149.09590	3.0
151.11150	0.5
153.12732	1.3
155.08499	0.8
157.10107	6.2
161.05916	0.5
163.06039	1.5
163.11154	12.9
165.09039	0.5
165.12737	1.4
167.06995	0.7
173.09616	2.1
175.11159	7.4
181.04877	0.5
181.12245	1.5
191.07034	0.2
191.10606	1.4
193.12215	20.8
209.08224	0.3
209.11671	2.9
211.13264	25.3
221.32834	0.2
227.12752	2.2
249.14955	0.3
265.14230	0.5
267.15872	7.5
283.15366	36.7
284.15833	0.5
285.16922	23.4
286.17285	0.3
330.65387	0.3
337.21454	0.3
365.20938	0.3
383.22083	2.0
401.23352	0.8
419.24039	0.4
427.19315	0.3
457.25806	4.3
475.26880	17.5
476.27188	0.4
493.27893	100.0
494.28281	2.6
637.31958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11259	0.4
61.02920	3.6
65.03887	1.2
67.05495	22.7
69.03419	2.3
69.07062	4.8
69.92644	0.5
70.31931	0.4
70.69662	0.4
71.04980	2.5
73.02863	1.4
73.06493	1.2
79.05483	32.7
81.03407	33.8
81.07047	23.9
83.04973	9.7
83.08611	12.5
85.02895	11.7
85.06519	2.3
87.04419	0.6
91.03896	1.9
91.05466	31.6
93.07032	32.7
95.04955	19.1
95.08595	12.3
97.02864	3.3
97.06531	2.6
97.10163	2.6
99.08033	1.2
102.36266	0.4
103.57288	0.4
105.04488	0.8
105.07014	22.0
105.07728	1.0
107.04945	5.6
107.08578	10.1
109.02833	0.5
109.06494	4.8
109.10112	2.4
111.04388	1.7
111.08068	5.6
113.05946	1.3
115.05381	0.8
117.06989	3.8
119.04925	0.6
119.08563	17.9
121.06432	1.7
121.09428	0.5
121.10126	5.1
123.08066	3.5
123.11650	1.3
127.03896	0.7
128.06184	1.0
129.06976	11.8
130.08562	0.6
131.04822	0.5
131.08549	6.9
133.06404	1.8
133.09207	0.7
133.10106	9.3
135.07959	0.5
135.11635	1.3
137.09543	1.3
137.13185	0.6
142.07744	1.3
143.08522	3.2
145.04820	0.6
145.10097	5.4
147.07982	3.2
147.09114	0.8
147.11670	23.3
149.09628	2.8
157.08917	0.5
157.10117	7.5
161.09547	1.9
161.13232	5.3
163.11052	0.7
165.12730	2.0
171.11656	10.9
175.09743	0.7
175.11172	9.2
189.11235	0.5
189.12753	4.4
193.12225	20.8
207.13792	9.3
211.13272	22.5
225.14694	0.7
249.14954	1.1
256.13446	0.5
267.15887	28.1
268.16403	0.8
281.17438	37.9
282.17786	0.7
285.16925	21.8
351.60370	0.5
381.23520	0.4
399.25452	0.5
447.27203	1.2
473.28955	100.0
474.29379	1.8
491.29993	70.3
492.30457	1.9
617.33051	0.7
635.34106	1.6
750.49139	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	852.421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
65.03924	0.8
67.05496	9.4
69.03417	2.4
69.07055	3.4
70.32743	1.3
71.01333	0.6
71.04993	2.9
73.02911	1.6
77.03863	0.4
79.05016	0.6
79.05480	13.8
81.03406	27.5
81.07043	13.1
83.01326	2.9
83.04969	10.0
83.08607	12.3
83.08987	0.2
85.02893	15.4
85.06519	1.3
87.04443	0.5
91.03944	3.4
91.05465	13.1
93.07029	13.5
95.04951	11.1
95.08596	5.2
97.02877	5.3
97.06514	3.4
97.10155	1.9
99.04440	1.5
99.08070	0.7
103.05424	0.3
105.07014	10.4
107.04939	4.4
107.08584	6.9
108.05204	0.3
109.02869	0.6
109.06506	4.5
109.10145	1.5
111.04416	2.0
111.08068	4.7
113.05968	0.6
115.03932	0.4
115.05431	0.8
117.07021	3.2
119.08562	9.6
121.06490	2.1
121.10129	6.0
121.62357	0.3
123.04362	0.3
123.08052	4.2
123.11697	0.7
125.05948	0.8
125.09605	1.5
127.03889	1.6
127.07616	0.3
129.06987	4.7
131.04895	0.3
131.08549	5.2
133.06517	1.3
133.10106	4.7
135.07991	0.6
135.11652	4.8
137.05951	0.3
137.09561	1.3
139.07503	0.5
142.07753	0.9
143.08583	0.6
145.04942	1.4
145.06480	0.6
145.10107	6.9
146.08173	0.6
147.08025	2.3
147.11655	5.9
147.12840	0.3
149.09576	2.6
153.12733	1.3
155.08521	0.8
157.10103	5.5
163.06035	2.3
163.11154	10.6
164.68733	0.3
165.12752	1.6
167.07083	0.4
173.09587	1.7
175.11176	6.4
181.12172	1.5
191.10684	1.2
193.10788	0.2
193.12216	18.0
209.11736	2.2
211.13266	26.7
212.13646	0.3
227.12759	1.9
231.13776	0.3
249.14868	0.7
265.14377	0.8
267.15897	7.7
269.15582	0.3
273.14722	0.3
283.15363	32.7
284.15744	0.6
285.16925	22.6
340.27374	0.3
383.06873	0.3
383.22131	1.4
391.41510	0.3
401.23248	0.9
457.25781	4.4
474.38074	0.4
475.26828	16.9
476.27313	0.5
493.27896	100.0
494.28229	1.6
516.20734	0.3
637.31787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.5
64.90033	0.6
65.03901	2.4
65.61517	0.5
66.01077	0.5
67.05495	31.2
69.03410	3.6
69.07057	7.8
71.04970	4.0
72.49036	0.5
73.02882	1.5
73.06519	1.1
75.96887	0.5
77.03878	0.9
79.05480	51.0
81.03403	41.0
81.07043	36.3
83.04970	13.0
83.08602	17.1
85.02893	14.5
85.06515	3.0
87.04469	0.7
91.03905	1.9
91.05466	44.3
93.07029	49.2
95.04953	25.5
95.08589	17.6
97.02884	4.5
97.06515	3.7
97.10141	3.1
99.04398	1.2
99.08055	1.4
105.04474	1.0
105.07014	33.3
107.04933	8.2
107.08575	14.8
109.02831	0.5
109.06504	7.4
109.10152	3.5
111.04388	1.9
111.08076	6.5
113.05998	1.5
115.05405	1.4
117.07014	5.4
119.08562	24.0
121.06499	3.3
121.09427	0.7
121.10125	8.1
123.08057	5.1
123.11639	0.9
125.09571	1.6
127.03902	1.1
127.07506	1.0
128.06161	1.6
129.06984	16.0
131.08545	7.2
133.06436	1.9
133.10109	11.3
135.11681	2.0
137.09576	1.8
142.07762	1.5
143.08543	5.5
145.04889	1.5
145.10095	6.6
147.08014	3.6
147.11665	34.5
149.09573	3.3
156.09253	0.5
157.10094	8.8
159.11629	1.1
161.09573	2.3
161.13216	8.1
163.05960	1.2
163.11151	2.0
164.03807	0.5
165.12682	1.8
171.11659	19.3
175.11153	8.5
189.11189	0.9
189.12708	7.2
193.12216	23.8
207.11832	1.3
207.13776	21.8
211.13258	22.5
212.13406	0.6
225.14723	1.4
229.40221	0.9
234.14636	0.6
267.15875	31.4
281.17432	89.2
282.17819	1.7
285.16898	21.7
286.17410	0.7
384.49072	0.6
421.26077	0.8
447.27417	1.1
449.41290	0.5
455.28293	0.7
458.61359	0.5
461.28842	0.6
473.28931	100.0
474.29309	2.0
491.29974	91.5
492.30466	2.3
617.31830	0.7
628.64954	0.6
635.34290	2.8
681.05994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.8
60.08145	0.9
61.02914	12.2
65.03918	2.1
67.05492	94.9
68.05828	0.8
69.03417	3.2
69.07050	9.1
69.57894	4.2
71.04973	3.8
71.07365	0.5
71.08595	0.7
73.02901	3.3
74.15778	0.5
79.05018	1.0
79.05479	20.0
81.03406	2.5
81.07040	39.4
83.04967	1.7
83.08604	9.1
85.02376	0.8
85.02890	15.0
85.06535	3.2
86.09207	0.4
86.09683	2.5
90.29055	0.5
91.03935	8.7
91.05463	13.3
93.07027	25.8
94.07355	0.8
95.04980	2.5
95.08588	30.5
96.04485	0.9
97.02872	7.5
97.06516	1.8
97.10150	2.5
99.04427	1.2
99.08090	0.9
103.03866	0.6
105.04504	0.7
105.07018	8.8
107.08581	16.3
109.06508	1.0
109.10137	83.3
110.10457	0.8
111.08075	4.4
113.09628	0.6
115.03912	0.6
115.05376	0.6
117.06976	3.3
119.08555	12.2
120.14863	0.5
121.10123	13.1
123.11703	4.5
125.00007	1.6
125.09598	1.6
127.03867	3.3
127.11152	0.6
131.08545	5.7
133.10121	6.0
135.08017	0.6
135.11674	9.0
137.09578	3.4
137.13252	1.4
145.04916	3.8
145.10100	5.0
147.11659	4.1
149.13235	5.8
151.11154	0.7
155.10622	4.4
157.10100	0.7
159.11649	3.8
161.13228	4.0
163.05975	5.2
163.11229	0.8
163.14764	3.7
171.11670	0.7
173.11742	24.0
173.13239	4.1
175.14818	1.2
184.07318	9.2
185.07709	1.1
187.14766	1.6
189.11169	0.9
201.16412	0.7
227.12753	7.2
229.14313	100.0
230.14699	1.6
233.22633	0.8
243.21057	6.5
261.22095	24.7
275.20038	0.6
299.23734	1.0
317.24667	3.5
335.25748	82.9
336.26154	2.8
342.37170	1.0
379.29675	0.9
397.30893	1.9
415.31970	1.7
419.47205	0.5
471.34708	3.0
489.35693	84.6
490.35980	2.8
507.36700	9.2
633.39508	1.4
663.70331	0.5
750.15533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.8
60.08145	0.9
61.02914	12.2
65.03918	2.1
67.05492	94.9
68.05828	0.8
69.03417	3.2
69.07050	9.1
69.57894	4.2
71.04973	3.8
71.07365	0.5
71.08595	0.7
73.02901	3.3
74.15778	0.5
79.05018	1.0
79.05479	20.0
81.03406	2.5
81.07040	39.4
83.04967	1.7
83.08604	9.1
85.02376	0.8
85.02890	15.0
85.06535	3.2
86.09207	0.4
86.09683	2.5
90.29055	0.5
91.03935	8.7
91.05463	13.3
93.07027	25.8
94.07355	0.8
95.04980	2.5
95.08588	30.5
96.04485	0.9
97.02872	7.5
97.06516	1.8
97.10150	2.5
99.04427	1.2
99.08090	0.9
103.03866	0.6
105.04504	0.7
105.07018	8.8
107.08581	16.3
109.06508	1.0
109.10137	83.3
110.10457	0.8
111.08075	4.4
113.09628	0.6
115.03912	0.6
115.05376	0.6
117.06976	3.3
119.08555	12.2
120.14863	0.5
121.10123	13.1
123.11703	4.5
125.00007	1.6
125.09598	1.6
127.03867	3.3
127.11152	0.6
131.08545	5.7
133.10121	6.0
135.08017	0.6
135.11674	9.0
137.09578	3.4
137.13252	1.4
145.04916	3.8
145.10100	5.0
147.11659	4.1
149.13235	5.8
151.11154	0.7
155.10622	4.4
157.10100	0.7
159.11649	3.8
161.13228	4.0
163.05975	5.2
163.11229	0.8
163.14764	3.7
171.11670	0.7
173.11742	24.0
173.13239	4.1
175.14818	1.2
184.07318	9.2
185.07709	1.1
187.14766	1.6
189.11169	0.9
201.16412	0.7
227.12753	7.2
229.14313	100.0
230.14699	1.6
233.22633	0.8
243.21057	6.5
261.22095	24.7
275.20038	0.6
299.23734	1.0
317.24667	3.5
335.25748	82.9
336.26154	2.8
342.37170	1.0
379.29675	0.9
397.30893	1.9
415.31970	1.7
419.47205	0.5
471.34708	3.0
489.35693	84.6
490.35980	2.8
507.36700	9.2
633.39508	1.4
663.70331	0.5
750.15533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91840	0.1
67.05471	0.2
69.03359	0.1
70.19882	0.1
71.03397	0.3
79.05461	0.1
81.03384	0.3
81.07017	0.4
86.09658	0.3
91.05428	0.2
93.07001	0.4
98.21310	0.1
98.98471	0.2
107.08554	0.2
109.06482	0.1
109.10089	0.2
110.57915	0.1
124.99960	0.4
130.42453	0.1
135.11659	0.4
184.07292	1.8
185.07581	0.4
229.04477	0.2
230.05392	0.2
231.06165	0.3
232.07014	2.3
243.06230	0.6
244.06886	0.3
245.07913	1.2
257.07770	0.4
268.07153	0.2
269.07816	0.3
270.08664	1.1
271.09402	0.3
283.09363	5.0
284.10129	0.7
286.11670	1.6
295.13037	0.3
297.10934	1.0
298.11597	0.2
301.14096	0.1
309.10953	0.2
310.11722	1.2
313.27414	0.4
323.12485	2.7
323.16055	0.2
324.13080	0.5
338.18570	0.2
348.17075	0.2
349.17715	0.5
351.15598	1.2
365.17126	1.4
366.17963	28.8
367.18622	3.3
407.20410	0.3
407.25473	0.5
408.21191	0.2
417.23746	0.3
433.23282	0.2
435.24997	100.0
436.25323	2.1
476.27573	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	846.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07369	0.2
60.08155	6.2
61.34923	0.1
67.05484	0.4
70.06572	0.1
71.07363	3.6
71.79041	0.1
77.70724	0.1
79.05493	0.1
81.07031	0.3
86.09692	31.5
87.10017	0.3
88.53016	0.1
91.05454	0.3
93.07024	0.2
95.08578	0.2
98.98446	3.3
104.10728	3.5
105.06991	0.1
106.80020	0.1
109.10165	0.1
116.99465	0.1
121.06422	0.1
121.10178	0.1
124.99986	19.7
126.00368	0.1
134.41591	0.1
139.37924	0.1
143.01045	0.4
145.10043	0.1
166.02655	0.2
178.70906	0.1
184.07314	100.0
185.07715	0.9
201.35663	0.1
239.11093	0.1
314.76196	0.1
452.24487	0.1
534.32025	0.2
552.33014	0.1
646.36731	0.9
710.43701	0.2
728.44788	0.6
746.45929	2.2
747.46686	0.1
810.52032	0.3
811.02258	0.1
828.53613	0.9
846.54761	3.4
847.54547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07380	0.1
60.08158	6.4
67.05492	0.3
69.07031	0.1
69.89783	0.5
70.06573	0.1
71.07366	3.6
78.99471	0.1
79.05488	0.2
80.97405	0.1
81.03398	0.1
81.07056	0.2
86.09697	31.8
87.09568	0.1
87.10017	0.3
91.05492	0.2
93.07035	0.2
95.08596	0.1
98.97806	0.1
98.98455	2.9
104.10732	4.1
105.07016	0.1
107.08585	0.1
109.10126	0.1
121.10175	0.1
124.99990	21.2
126.00332	0.1
143.01065	0.4
153.01819	0.1
166.02747	0.1
184.07326	100.0
185.07669	1.0
190.23145	0.1
291.51236	0.1
356.32449	0.1
534.31763	0.1
552.33337	0.2
556.01270	0.1
584.98828	0.1
586.38831	0.1
639.11255	0.1
644.87885	0.1
646.37225	0.8
647.37000	0.1
728.44928	0.5
732.44519	0.2
746.45990	2.2
747.45837	0.2
810.52850	0.3
828.53851	1.0
846.54803	4.2
847.54956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	0.3
61.02917	3.8
67.05495	5.2
69.03421	3.1
69.07073	1.8
73.02906	3.8
74.60860	0.3
76.03049	0.3
79.05489	4.8
81.03404	2.2
81.07047	6.2
83.04963	0.6
83.08575	0.7
85.02901	5.1
86.09698	3.0
87.04483	0.5
87.10036	0.8
91.03939	2.4
91.05466	4.6
93.07040	5.2
95.04948	1.3
95.08611	3.3
97.02885	4.3
98.29892	0.3
99.04456	0.7
101.02381	1.6
103.03923	0.4
105.07004	3.8
107.08568	2.8
109.06497	0.8
109.10156	0.9
111.08018	0.4
115.64933	0.4
117.07035	1.0
119.08569	3.0
121.10105	1.8
125.00022	2.9
127.03915	1.2
129.07002	0.5
131.08586	0.9
133.10146	2.0
135.11674	1.7
143.08527	0.4
145.04990	0.5
145.10155	0.6
147.11671	1.5
149.09604	0.4
149.13249	0.5
157.10223	0.4
159.11644	0.5
161.13300	0.7
184.07309	10.9
185.04309	1.2
185.07715	1.2
199.94313	0.4
201.03719	0.4
243.08383	3.2
259.20657	0.4
298.66653	0.4
301.09067	1.4
311.15439	0.4
313.09052	0.4
315.10574	0.7
317.21011	0.6
333.20309	3.1
352.56506	0.5
371.17062	0.5
373.11182	0.6
373.23734	0.4
389.23129	0.5
397.18237	0.5
429.17114	0.5
431.24457	0.5
439.19421	1.4
453.21014	1.5
465.21027	0.5
469.20459	0.5
481.20593	0.5
486.61887	0.4
535.28656	7.1
551.28156	8.2
551.36072	0.6
593.29114	0.4
623.30615	1.5
845.50079	100.0
846.50299	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	5.7
61.02899	0.8
64.73183	0.5
65.03922	1.5
67.05495	39.2
69.03397	1.5
69.06693	0.6
69.07060	10.9
71.04971	2.0
71.07361	3.6
71.81728	0.6
79.05480	24.5
81.03396	1.5
81.07044	42.4
83.04965	2.8
83.08604	8.3
84.08121	0.8
85.02895	1.2
85.06521	1.9
86.09694	30.8
91.03917	0.9
91.05468	22.3
93.07031	28.4
95.04945	5.4
95.08592	23.6
97.02880	0.7
97.06514	4.9
97.10142	3.3
98.98418	2.8
99.08080	1.3
104.10722	1.5
105.07017	15.5
106.51031	0.5
107.04919	1.8
107.08578	16.4
109.06484	3.4
109.10144	12.3
111.08061	3.0
111.11703	0.6
117.07007	8.2
119.08568	10.8
121.06480	1.8
121.10126	12.8
123.08049	1.9
123.11689	2.5
124.99986	17.9
125.09597	3.1
129.06949	1.9
130.08621	1.0
131.08548	11.3
133.10104	9.7
135.08020	2.3
135.11661	8.4
137.09563	2.4
137.13229	0.9
143.08551	1.8
145.10104	8.6
147.07942	0.6
147.11665	5.2
149.09615	3.5
149.13223	6.3
151.11127	1.4
155.08527	0.9
157.10057	2.6
159.11649	6.7
161.09570	0.7
161.13243	2.7
163.11140	3.0
163.14799	1.5
165.12704	1.0
169.10088	1.2
171.11688	2.4
173.11781	1.3
173.13252	3.6
175.11250	0.8
175.14754	1.3
177.12796	3.7
179.14299	0.8
183.11775	0.8
184.07318	100.0
185.07617	0.5
185.13293	1.4
187.14792	1.6
189.11203	1.2
195.13693	1.1
197.13210	1.2
199.14825	0.7
201.16429	0.9
211.14742	0.6
213.16541	0.6
215.17909	0.9
227.12808	2.4
229.14343	4.7
239.17931	0.9
243.21062	1.5
245.13823	1.4
247.20663	0.7
257.19110	3.3
259.20490	0.7
261.22141	4.4
269.17465	10.6
275.20020	16.7
277.63751	0.6
293.20947	2.6
299.75348	0.5
300.31027	0.5
313.27328	1.0
317.24841	0.7
331.22641	0.8
335.25745	35.3
336.26199	0.9
349.23697	14.6
351.25027	0.5
367.24750	9.1
423.27554	3.3
437.33594	0.7
441.28461	4.5
489.35736	5.0
515.37109	0.8
529.38794	27.2
529.46887	1.3
553.42163	0.9
569.41870	2.4
609.35760	0.9
609.45111	14.8
627.46051	12.4
641.43292	0.7
715.47235	1.5
723.07983	0.7
726.46863	1.4
771.50885	0.7
789.51349	1.1
792.51556	0.9
807.51965	2.4
810.53168	0.7
842.53864	2.4
843.48181	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	840.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08123	1.7
61.02906	3.0
65.03932	6.1
66.47778	1.4
67.05492	85.7
69.03407	12.9
69.06691	2.7
69.07054	41.5
71.01315	2.1
71.04987	8.2
71.05328	1.4
73.02896	3.2
73.90062	1.5
77.03925	1.5
79.05479	87.3
79.75677	1.3
81.03412	14.7
81.07042	100.0
82.20547	1.4
83.04968	14.9
83.08601	23.3
85.02871	5.5
85.06525	6.3
86.09682	6.9
91.03940	2.5
91.05464	92.9
93.07030	96.1
94.07374	2.1
95.04951	18.4
95.08588	60.3
97.02869	5.0
97.06518	14.1
97.10160	9.0
99.04449	2.2
99.08069	4.6
103.05441	1.5
105.04505	2.2
105.07013	86.8
106.07337	1.5
107.04964	8.1
107.08580	58.8
109.02871	1.8
109.06507	11.8
109.10142	27.6
110.10351	1.6
111.08031	7.6
113.09638	2.1
115.05457	4.7
117.07005	33.9
119.08561	77.1
120.05786	1.4
120.08871	2.1
121.06490	5.9
121.10120	35.5
123.08032	6.2
123.11675	8.6
125.00008	3.7
125.09598	6.0
127.03909	3.8
128.06232	6.4
129.05522	2.0
129.06996	23.0
130.07770	2.7
131.07558	1.6
131.08549	49.1
133.06464	4.0
133.10109	51.0
134.10449	1.6
135.08041	5.7
135.11670	30.8
137.09599	4.0
139.11157	2.4
141.06956	7.8
142.07736	4.3
143.08521	20.6
145.06483	1.8
145.10103	40.7
147.08023	3.8
147.11664	41.8
149.09569	13.1
149.13234	15.7
151.11127	3.9
151.33978	1.6
155.08521	10.8
156.09315	3.1
157.10106	23.6
159.08026	2.3
159.11667	30.0
161.09572	3.4
161.13223	21.9
163.11172	8.1
163.14801	5.2
165.06947	2.6
165.12730	2.8
167.08551	4.2
169.10115	14.8
170.10820	1.7
171.11652	20.4
173.04436	3.4
173.09578	2.7
173.13232	16.6
175.11160	2.4
175.14795	10.2
177.12778	3.4
179.14412	1.6
181.10136	6.4
183.11642	13.3
184.07297	15.3
185.09552	2.0
185.11700	2.3
185.13199	13.9
187.14818	7.2
189.11246	1.6
189.12813	2.7
189.16362	2.2
191.14244	2.0
193.10139	2.7
195.11665	7.4
195.13766	6.1
197.13293	9.4
199.14793	10.2
201.12614	1.7
203.14226	1.9
205.10120	2.1
209.13222	7.6
209.80182	1.7
211.11334	1.9
211.14807	5.4
211.30057	1.4
213.16400	5.3
215.14333	2.9
215.18011	1.7
217.15936	1.8
221.13203	3.1
223.14772	5.4
225.16426	3.3
227.12659	2.7
227.17958	2.4
229.46957	1.8
231.17352	2.0
231.20927	3.2
233.13298	2.4
233.15497	1.7
237.16527	3.5
239.17976	3.5
241.19525	17.5
249.16335	1.8
251.18097	1.8
253.14359	2.6
255.15756	11.0
257.18982	7.4
259.20544	46.0
261.22052	3.2
267.15970	4.0
269.17407	16.7
273.18695	2.4
273.21988	1.4
275.20056	19.8
277.21558	2.7
283.20456	1.8
287.20044	1.7
289.21863	1.7
297.22141	2.8
301.21625	3.3
305.21432	1.6
307.59201	1.6
313.09213	1.5
315.23114	7.0
323.23624	2.1
325.21500	2.8
325.25235	1.9
331.22684	1.7
333.24216	54.3
335.25766	5.9
349.23767	16.7
351.25171	2.9
367.25006	4.4
415.28522	1.6
421.30984	3.3
423.32889	1.7
435.32401	5.8
439.31924	2.2
445.30917	1.7
453.33545	3.8
471.34860	3.1
489.35526	2.7
499.33878	1.9
501.35425	2.0
509.36356	3.5
513.28302	1.4
513.35699	28.9
515.37744	5.7
525.35529	4.0
527.37262	56.9
531.36407	4.1
533.39594	5.6
543.37073	1.8
545.38080	9.1
551.40845	2.8
567.40106	2.3
589.42236	1.8
597.44922	1.8
607.43433	32.6
608.43768	2.7
625.44391	35.0
653.40479	1.8
671.40582	2.1
689.42731	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	840.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.4
65.03931	6.1
67.05494	96.0
69.03425	12.0
69.07061	43.3
71.04984	7.1
71.81567	2.5
73.02887	2.5
79.05482	82.3
81.03394	8.2
81.07044	95.9
83.04974	12.0
83.08605	23.4
85.02897	10.3
85.06521	4.3
86.09687	10.7
89.75932	2.2
91.05467	100.0
93.07033	86.3
95.04950	18.4
95.08593	66.0
95.09206	2.9
97.02897	6.8
97.06508	10.2
97.10168	8.1
99.04431	2.2
99.08086	5.8
101.97917	1.6
103.05479	3.6
105.04508	3.4
105.07014	88.3
107.04945	7.9
107.08578	49.0
109.06509	7.4
109.10142	29.2
111.04393	2.0
111.08062	8.1
115.05461	4.1
116.06245	1.9
117.06184	2.2
117.07005	35.0
119.08562	65.5
121.06483	5.3
121.10129	35.1
123.08073	4.8
123.11713	6.8
125.00009	6.5
125.09634	7.0
127.03884	2.7
128.06200	8.7
129.05472	3.7
129.06982	29.3
130.07753	3.2
131.08557	47.1
133.06476	3.1
133.10109	47.9
135.08046	7.7
135.11674	22.5
137.09607	3.7
141.06990	6.8
142.07748	4.6
143.08548	19.1
144.09279	2.2
145.05009	2.4
145.10106	43.8
147.07988	4.0
147.11667	33.4
149.09628	6.0
149.13246	14.8
151.11128	2.1
154.07768	2.4
155.08542	12.9
156.09315	2.6
157.10104	26.3
158.53700	1.7
159.11664	32.1
161.09630	2.9
161.13249	14.3
163.11174	6.4
163.14713	3.7
165.05540	1.8
165.06987	3.7
165.12808	3.4
167.08551	6.0
168.09326	1.9
169.10095	18.4
171.11673	24.6
172.12405	1.9
173.04356	2.0
173.09613	1.8
173.11821	3.6
173.13220	17.3
175.11230	3.1
175.14810	11.3
177.12724	3.2
179.08606	1.9
179.14354	3.9
181.10133	9.3
182.10860	1.6
183.11662	17.2
184.07326	33.8
185.13222	16.6
187.11247	2.4
187.14774	8.1
189.11249	3.0
189.16347	2.3
191.14307	1.6
193.10094	2.8
195.11647	9.3
195.13480	1.6
196.12538	1.9
197.13271	12.3
199.14751	9.4
201.12645	2.0
201.16414	2.5
207.11716	2.9
209.13261	7.5
211.14844	5.9
213.16359	5.2
215.17903	2.4
221.13257	2.7
223.14842	6.6
225.16449	3.1
227.12798	2.1
229.14322	6.2
231.21077	3.3
235.14873	2.5
237.16405	3.2
239.17979	4.6
241.19559	8.9
247.20515	1.7
251.17984	2.6
257.19031	7.6
259.20541	23.4
261.22107	4.1
265.19183	1.6
267.16003	3.9
269.17444	10.3
273.18500	2.6
275.20209	7.8
277.21628	2.0
291.19400	4.0
299.23651	1.8
301.21460	2.3
309.22025	2.3
311.23642	1.8
315.23154	5.2
323.23730	2.4
333.24289	23.8
335.25949	11.0
343.18860	2.1
349.23846	5.1
365.23105	3.0
367.22491	2.6
421.30731	1.9
435.32672	5.3
450.66837	1.7
453.33527	2.5
471.34720	2.2
503.35052	2.3
513.35400	6.3
515.38318	4.0
517.39893	5.8
527.37115	20.9
535.41455	3.7
545.38513	3.8
591.43927	3.2
607.43231	7.7
609.45154	46.6
625.44550	15.8
643.45557	2.1
757.50311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	1.3
63.42531	1.4
65.03941	2.7
67.05498	63.5
69.03431	8.4
69.07061	37.5
71.04983	5.0
71.81528	2.0
77.03924	1.5
79.05019	3.4
79.05483	66.6
81.03409	7.9
81.07046	55.1
83.04998	9.3
83.08610	17.4
85.02907	2.3
85.06527	3.1
86.09687	5.1
87.04466	4.9
91.05469	60.3
93.07035	60.1
95.04958	11.6
95.08594	36.8
97.02897	9.1
97.06529	8.6
97.10160	23.1
103.05437	3.2
105.07018	64.7
107.04948	10.0
107.08579	35.6
109.06499	5.6
109.10147	20.9
111.08073	4.7
115.05448	3.4
117.07002	23.4
119.04936	2.7
119.08562	46.4
121.06482	6.9
121.10127	20.2
123.08078	6.5
123.11696	3.7
125.00018	3.1
125.09618	16.1
128.06221	3.7
129.06999	17.3
129.12700	1.6
130.07718	2.1
131.08553	29.4
133.06488	4.3
133.10120	36.2
134.07280	1.5
135.08031	8.6
135.11661	14.7
137.09616	4.4
141.06929	4.1
142.07704	2.9
143.08559	15.0
144.09235	1.6
145.10103	25.0
147.08041	8.5
147.11664	26.2
149.09642	7.1
149.13258	7.6
151.60150	1.3
153.12796	1.6
155.08563	6.1
157.10110	13.3
159.11664	20.1
161.09590	4.1
161.13242	18.8
163.11176	5.2
163.14760	1.8
169.10132	7.3
170.10915	1.8
171.11626	12.6
173.09586	2.0
173.11829	2.6
173.13210	11.5
175.11211	3.6
175.14815	9.5
177.12717	3.1
181.10109	2.3
183.11684	6.7
184.07324	17.3
185.13229	8.0
187.11009	2.5
187.14813	3.6
189.11194	10.7
189.12723	2.4
189.16344	1.8
193.12256	1.8
195.11644	2.7
197.13228	3.3
199.14792	7.3
201.16341	1.9
203.14346	1.8
205.12302	2.6
205.15887	1.9
209.13353	3.1
211.14856	2.4
213.16396	2.0
223.13213	19.3
225.16559	1.6
227.12744	13.1
227.17976	2.0
231.21104	2.8
239.18001	3.6
241.19492	16.8
249.14842	5.0
257.19037	3.4
259.20560	41.5
273.18454	10.5
275.20056	13.2
291.19516	100.0
292.19910	2.3
297.22095	2.9
299.23697	2.1
315.23199	8.1
333.24216	53.6
335.25934	3.4
347.22150	1.9
349.23630	8.1
363.21674	1.7
365.23190	46.2
366.23517	1.8
379.29868	4.9
401.73105	2.0
451.31918	2.3
462.92593	1.6
511.34161	3.2
513.36658	2.2
525.35736	12.9
529.35120	6.9
531.38141	2.8
543.36603	21.7
554.35907	1.6
605.42084	10.9
623.42999	69.5
624.43237	3.2
641.44116	8.9
647.78461	1.6
658.30176	1.7
785.47760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.0
65.03922	3.1
65.54388	0.8
67.05496	51.8
68.99775	0.9
69.03400	4.2
69.07058	39.4
71.04971	4.5
71.17445	0.7
73.02872	1.0
74.97004	0.9
77.03882	1.3
77.58196	0.8
79.05479	50.8
81.03407	10.7
81.07043	73.2
83.04974	11.7
83.08145	1.4
83.08606	12.7
85.02879	1.2
85.06507	4.1
86.09674	1.3
87.04449	3.7
88.56782	0.8
91.05467	64.1
93.07031	50.8
95.01315	10.2
95.04958	14.6
95.08592	39.7
96.05251	0.7
97.02868	2.3
97.06519	33.1
97.10155	5.2
99.04443	1.0
99.08076	1.9
103.05478	1.2
105.07014	86.5
107.04941	20.3
107.08578	29.0
109.02866	2.1
109.06491	5.5
109.10151	10.6
111.04449	1.9
111.08070	5.0
113.09624	1.8
115.05443	1.8
117.07004	19.0
117.07789	1.4
119.04963	1.0
119.08566	46.4
121.06520	4.4
121.10126	16.1
123.04405	2.5
123.08048	6.3
123.11683	3.5
125.09612	3.7
127.03857	1.4
128.06200	1.2
129.06987	5.9
130.07770	2.0
131.08540	29.6
133.06454	1.8
133.10106	47.4
134.10454	0.8
135.08002	4.3
135.11671	13.7
137.09605	3.5
139.07529	1.8
141.06978	2.6
142.07727	1.4
143.08553	5.9
145.06465	3.6
145.10104	24.0
147.08032	1.7
147.11668	21.9
147.12828	1.1
148.46173	0.8
149.09575	10.1
149.13228	8.4
151.11191	2.7
152.27060	0.8
155.08517	3.8
157.10054	5.1
159.08067	2.2
159.11674	16.9
161.09653	2.4
161.13235	7.2
163.11159	9.8
165.09109	2.6
165.12712	1.4
169.10085	3.5
171.11705	3.3
173.04439	2.4
173.13211	6.2
173.15538	0.8
175.11090	1.8
177.12772	6.4
179.14284	16.5
179.15733	1.4
183.11661	3.1
184.07283	4.0
185.13205	1.3
187.11162	3.7
195.13803	2.8
197.13268	3.0
201.12860	1.4
205.12144	1.5
215.14407	1.1
219.17395	1.9
227.12730	1.9
229.19582	2.7
233.15271	2.0
237.15045	0.9
239.17882	3.3
247.16951	1.4
247.20615	3.2
251.16475	2.0
255.15698	5.6
257.19003	10.5
267.15994	0.9
269.17419	18.6
275.20020	93.6
276.20383	1.7
279.15921	2.6
293.21051	7.5
331.22632	2.0
349.23676	58.6
365.23343	0.9
367.24734	4.2
413.21622	2.3
503.33990	1.1
519.32831	1.2
527.37061	1.5
529.35211	29.6
543.36743	100.0
544.37708	3.9
583.39960	2.4
605.42163	1.6
611.43158	1.0
623.42975	47.8
641.44269	10.2
663.36804	1.0
687.40967	5.1
782.91907	1.1
836.17126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.5
65.77650	1.6
67.05497	82.2
69.03407	5.0
69.07066	39.1
71.04967	4.2
71.08549	1.9
71.81705	1.6
71.82095	2.7
79.05488	70.0
81.03421	14.9
81.07049	94.4
83.04514	2.9
83.04974	37.8
83.08617	15.0
84.81002	1.8
85.02898	2.5
85.06528	6.7
87.04436	3.0
91.05470	75.8
92.31195	1.6
93.07034	76.9
95.01326	8.4
95.04950	19.6
95.08597	63.3
97.02895	4.2
97.06526	29.9
97.10155	9.2
99.08090	3.5
103.05423	2.8
105.07023	100.0
107.04940	26.7
107.07925	2.8
107.08588	37.0
109.06516	8.8
109.10147	21.2
111.04408	5.4
111.08052	6.2
115.05447	2.4
117.06996	26.0
119.04912	1.8
119.08571	64.2
121.06447	8.2
121.10134	19.6
123.04430	3.6
123.08039	7.2
123.11698	3.7
125.09608	8.7
128.06166	2.0
129.05530	2.2
129.06960	6.3
130.07819	2.1
131.07649	2.7
131.08557	33.8
133.06534	1.8
133.10117	56.2
133.54059	2.1
135.08047	17.5
135.11670	21.3
137.09567	4.6
139.07520	2.4
141.06952	3.3
143.08556	7.8
145.06447	3.5
145.10118	28.1
146.08102	2.2
147.08020	5.6
147.11681	25.6
149.09604	14.9
149.13237	9.7
151.11156	5.0
153.09073	2.1
153.12738	3.0
155.08511	2.1
157.10101	9.9
159.08029	7.8
159.11676	20.5
161.09636	3.5
161.13249	13.2
163.11160	13.6
165.09119	2.4
169.10094	3.5
171.11676	7.7
173.09610	5.5
173.13245	12.8
175.11185	2.3
175.14879	4.2
177.12732	6.6
179.14313	16.0
183.11711	3.8
184.07271	5.1
185.13231	4.4
187.11098	3.8
187.14766	3.9
189.11171	3.6
191.10728	1.8
193.12221	5.2
195.13783	3.4
197.13254	3.8
199.14905	1.8
211.14879	2.1
213.16354	2.8
215.14334	2.4
215.17880	3.0
223.13260	1.9
227.12788	5.6
233.18837	1.9
239.17828	4.8
241.14560	2.0
241.19473	7.5
243.21133	2.6
247.20497	2.1
257.19046	10.6
259.20572	11.1
261.18402	5.0
261.22134	5.0
269.17392	11.7
271.16895	3.5
273.18710	2.1
275.20029	84.3
276.20328	2.5
277.21600	4.3
279.15799	2.6
283.15381	11.9
289.17944	27.7
290.75726	1.9
291.19382	3.3
293.21121	6.6
315.23169	4.3
317.24579	2.4
331.22668	2.8
333.24240	20.8
335.25784	65.4
349.19592	2.6
349.23718	41.4
351.25394	3.1
363.21558	16.5
365.23270	4.0
381.22647	5.2
479.36874	3.0
543.29193	2.9
543.36847	51.9
595.43610	2.6
607.43604	38.3
623.42932	40.5
625.44080	5.4
641.44067	34.9
838.44110	5.0
840.56384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	3.7
61.02914	0.7
62.09224	0.7
65.03915	3.2
67.05493	79.1
68.05831	0.9
69.03411	5.9
69.07055	20.2
70.14214	1.7
70.14629	2.4
71.01340	2.1
71.04978	6.1
71.08603	1.0
73.02899	2.8
74.76746	0.7
79.05479	35.2
80.05820	0.9
81.03404	100.0
81.07043	38.3
81.07433	0.6
81.07542	1.1
82.03720	1.1
82.07370	1.2
83.01286	0.9
83.04966	13.8
83.08608	28.3
85.02882	10.9
85.06521	3.0
87.04452	3.2
91.05464	33.2
93.07028	25.3
95.04954	36.7
95.08595	19.1
97.02861	6.1
97.06517	8.3
97.10155	21.3
98.21455	1.1
99.04439	1.2
99.08050	2.2
103.03919	1.1
105.07009	19.1
106.07336	0.8
107.04937	16.9
107.07910	1.5
107.08575	17.3
109.06508	9.0
109.10140	62.0
110.10452	1.2
111.04404	5.9
111.08059	11.0
113.06039	1.2
115.05403	1.8
115.71143	0.8
116.04688	1.2
117.06992	7.0
119.04932	2.3
119.07738	1.6
119.08556	25.3
121.02859	1.4
121.06491	8.0
121.10126	13.3
123.04408	4.0
123.08064	5.3
123.11697	1.5
125.06008	0.9
125.09623	15.4
125.10524	1.6
127.03868	0.8
127.07470	0.8
128.06169	1.9
129.05475	2.9
129.06985	13.7
131.04880	1.6
131.08542	14.6
133.06488	5.9
133.10114	9.8
135.08028	4.3
135.11671	6.1
137.09572	5.3
139.11151	2.3
142.07747	2.8
143.08551	3.7
145.06444	3.7
145.10115	8.7
147.04390	5.6
147.08020	6.6
147.11665	12.5
149.05986	2.0
149.09584	8.5
151.07530	1.0
153.09079	2.9
153.12706	5.7
155.08575	2.2
155.10614	3.1
157.06508	1.4
157.08693	1.4
157.10095	12.6
159.08049	1.9
159.11673	1.9
161.05914	1.2
161.09592	4.4
163.11159	11.7
165.12732	2.3
167.10658	0.8
169.10120	2.0
171.08029	1.2
171.10095	1.3
171.11676	1.5
173.09569	2.9
173.11725	17.8
173.13203	1.8
175.11137	12.2
177.12654	1.6
181.12212	5.3
183.11678	1.5
184.07294	2.7
185.13210	2.1
187.11096	1.4
189.09537	1.0
189.11195	5.6
189.12691	1.2
191.10590	4.9
191.14291	2.3
193.12218	34.0
194.12573	1.1
197.13203	1.2
199.13261	3.9
201.12744	1.5
203.14296	1.7
205.12149	1.9
207.13750	1.0
209.11665	6.2
211.11205	1.8
211.13187	11.0
211.96536	1.0
213.12801	1.4
215.10658	1.1
217.12267	1.8
217.14311	2.7
219.13757	6.4
221.15346	0.9
223.13263	2.4
227.12726	21.4
229.14308	43.6
231.13794	2.8
232.14531	1.5
235.13222	2.5
241.12099	0.9
241.14189	1.3
245.19128	0.8
247.13208	3.5
249.14821	6.6
259.13187	5.9
265.14227	1.1
267.15872	93.7
268.16177	1.1
269.17532	1.3
271.28220	0.8
273.14941	1.3
273.18460	4.2
275.12839	0.9
277.14279	0.9
283.15366	16.3
285.16882	1.1
289.14459	0.8
289.17865	3.1
293.17343	1.4
301.16614	8.2
309.16943	1.5
321.16992	2.0
333.16727	0.8
347.22131	1.0
349.21246	1.6
351.18097	1.0
355.22458	2.2
363.21671	1.8
365.20950	3.3
367.22580	5.0
373.23801	2.7
376.26059	0.9
383.22079	9.2
385.23724	6.4
386.23724	1.0
399.23752	16.4
401.23178	8.9
402.23782	1.5
403.24918	4.1
409.25708	1.1
419.24127	2.5
421.25809	22.7
441.26334	1.5
457.25720	3.0
458.26596	14.1
459.27255	7.7
463.27762	1.4
475.20062	1.2
475.26874	17.6
476.27612	20.0
477.28302	4.5
493.28061	13.1
511.28937	4.4
514.35938	1.8
518.32281	6.1
519.33197	1.3
555.33002	1.4
573.33978	1.9
591.35187	10.6
633.35828	1.2
676.40399	1.2
699.36945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04968	0.5
61.02914	5.4
65.03923	1.7
67.05494	29.8
68.05794	0.3
69.03421	2.5
69.07059	10.2
69.67955	2.6
71.01321	0.4
71.04987	3.0
73.02898	1.7
79.05481	19.6
80.05811	0.3
80.60814	0.3
81.03406	27.6
81.07043	36.0
82.07352	0.4
83.04967	7.4
83.08607	15.5
84.25788	0.3
85.02892	14.6
85.06521	2.8
87.04422	0.6
88.23748	0.3
91.03947	4.0
91.05469	17.9
93.07029	28.1
94.07446	0.3
95.04952	13.4
95.08587	11.1
97.02883	4.9
97.05952	0.3
97.06519	5.5
97.10165	1.7
97.10683	0.4
99.04416	0.9
99.08080	1.6
105.06346	0.5
105.07014	11.3
107.04928	2.8
107.08577	15.2
109.05828	0.4
109.06506	3.2
109.10131	2.5
110.11466	0.3
111.04407	1.3
111.08063	6.8
111.11657	0.6
113.06015	1.6
113.09553	0.3
115.03905	0.5
115.05377	0.8
117.06997	4.2
119.07733	0.5
119.08553	7.6
121.06451	1.2
121.10126	12.0
123.08073	1.4
123.11698	1.5
123.70541	0.3
125.05960	0.7
125.09579	1.5
127.03897	1.6
127.07511	0.5
129.05467	0.4
129.06973	4.6
131.04880	0.3
131.08543	8.2
133.06499	1.8
133.10106	7.9
135.08041	1.4
135.11659	4.0
137.09563	1.1
139.07515	0.3
139.11130	0.8
142.07744	1.6
143.08455	0.4
145.04936	1.5
145.10107	1.4
147.08022	1.6
147.10594	0.5
147.11674	7.2
149.09619	3.6
149.13232	14.0
150.13603	0.5
151.11165	0.5
153.09132	0.3
157.08841	0.5
157.10100	7.1
159.10364	0.4
159.11671	6.2
163.06003	1.5
163.11073	0.6
165.12729	1.4
170.62207	0.3
175.09657	0.5
175.11166	7.4
177.12709	2.7
184.07268	0.4
193.12216	18.1
194.12579	0.6
195.13759	4.6
211.13264	20.1
212.13515	0.5
213.14835	0.6
229.14314	0.5
249.14726	0.6
267.15875	17.4
269.17432	61.3
270.17828	0.8
273.18533	0.3
285.16925	18.7
286.17218	0.3
292.68958	0.3
356.96329	0.3
357.52994	0.4
369.24167	0.4
413.21829	0.4
430.68536	0.3
435.27441	1.8
443.27832	1.2
461.28925	44.7
462.29294	2.0
477.28275	0.3
479.29993	100.0
480.30350	3.3
551.30646	0.4
555.32166	0.3
605.33307	0.4
614.87805	0.3
623.34045	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	830.553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06308	0.1
58.06620	0.5
59.07383	0.1
60.08154	6.2
61.08494	0.1
67.05489	0.3
69.03422	0.1
69.07047	0.1
70.00809	0.4
70.06571	0.2
71.07359	3.2
72.08102	0.1
79.05482	0.2
80.97417	0.1
81.03387	0.1
81.07038	0.2
86.09691	31.6
87.10016	0.3
91.05466	0.1
93.07025	0.2
95.08604	0.2
98.98448	3.3
104.10726	2.9
105.07008	0.2
107.08586	0.1
109.10107	0.2
116.99444	0.1
119.08567	0.1
123.07883	0.1
124.99984	21.5
126.00321	0.1
131.08504	0.1
143.01035	0.5
166.02660	0.2
184.07312	100.0
185.07669	0.9
227.20007	0.2
518.32074	0.1
712.45349	2.2
713.44995	0.1
776.51135	0.2
794.53101	1.0
812.54205	4.8
813.55170	0.4
830.54120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	0.7
61.02623	0.5
61.02917	7.3
65.03919	1.2
67.05495	33.3
68.05795	0.4
69.03416	4.0
69.07059	11.2
70.13539	0.7
70.13947	1.3
71.01331	0.8
71.04982	4.7
71.08634	0.6
73.02900	2.3
73.06505	0.4
77.03903	0.5
79.05480	26.2
81.03405	40.4
81.07044	47.2
82.03728	0.5
83.04968	10.8
83.08606	19.5
85.02891	18.6
85.06527	3.3
87.04465	0.5
91.03941	5.3
91.05466	25.0
93.07030	33.1
95.04955	18.2
95.08005	0.7
95.08594	13.0
97.02877	5.6
97.06515	8.1
97.10164	3.3
99.04445	1.1
99.08041	2.2
105.04544	0.5
105.07017	16.6
107.04953	4.5
107.08577	18.8
109.02877	0.6
109.06499	4.6
109.10159	3.8
111.04434	2.0
111.08066	9.3
113.05984	1.6
115.03898	0.4
115.05431	0.9
117.06998	4.7
119.04848	0.6
119.08567	11.0
121.06469	1.8
121.09260	0.7
121.10131	13.4
123.08064	2.1
123.11683	3.0
125.09615	1.5
127.03936	2.0
127.07541	0.7
128.06181	0.6
128.44650	0.4
129.05504	0.5
129.06995	6.5
131.08548	10.4
133.06450	2.2
133.10112	9.8
135.08043	0.8
135.11647	3.2
137.09589	1.4
139.11176	0.5
142.07744	1.6
145.04929	1.5
145.10092	1.4
147.08008	1.7
147.11662	9.9
149.09599	4.3
149.13234	14.7
151.11134	0.9
157.10106	9.9
159.11674	5.5
161.09650	0.6
163.06052	2.0
163.07213	0.4
163.11169	1.2
165.12717	2.3
167.14290	0.5
171.11789	0.4
175.11163	9.6
176.11494	0.7
177.12689	2.4
184.07260	0.4
189.11151	0.6
193.12210	26.2
195.13777	5.5
211.13260	28.0
212.13596	0.6
213.14793	0.9
227.12778	1.0
229.14389	1.0
233.15152	0.5
245.37994	0.4
249.14803	0.7
251.16417	0.5
267.15872	29.7
269.17438	50.2
270.17737	1.3
273.18472	0.8
285.16922	25.7
286.17523	0.7
289.18048	0.4
291.19467	0.5
369.24136	0.6
376.52844	0.4
387.25009	0.5
405.26132	0.5
413.21542	0.5
417.25952	0.6
435.27408	2.6
443.27863	1.3
461.28934	71.3
462.29382	1.8
479.29990	100.0
480.30246	3.7
546.43774	0.4
573.33984	0.7
605.33661	0.5
623.34125	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	826.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.6
60.08142	0.9
61.02920	8.5
65.03936	0.8
67.05493	45.7
68.05802	0.8
69.03408	1.5
69.07059	4.5
71.04975	2.1
71.08620	14.4
71.79943	0.7
73.02908	3.1
74.93033	0.4
79.05470	1.3
81.03394	1.0
81.07042	11.4
82.06579	0.6
83.04956	0.5
83.08611	7.6
85.02893	10.6
85.06525	1.6
85.09687	0.6
85.10168	7.8
86.09702	5.1
87.04456	0.4
88.25008	0.4
89.06036	0.7
91.03942	7.5
91.05475	2.5
93.06476	0.6
93.07021	2.2
95.08595	13.0
97.02878	5.4
97.06510	0.6
97.10153	3.4
98.98449	0.5
99.04434	0.5
99.08089	0.7
99.11731	0.5
100.07602	0.5
103.07575	0.6
104.10736	0.4
107.08581	0.9
109.02867	0.5
109.10138	55.2
110.10498	0.8
111.08067	1.5
111.11711	0.7
115.03908	0.4
119.08559	3.7
121.10174	0.4
123.11677	1.9
124.99966	2.8
127.03919	1.9
130.08620	0.5
135.94159	0.4
137.09592	2.9
137.13239	1.0
144.27061	0.4
145.04922	2.9
146.08124	2.3
155.10626	3.4
155.42850	0.4
163.06006	3.7
171.83218	0.4
173.11711	17.2
174.08836	0.4
184.07309	15.5
229.14317	100.0
230.14691	1.5
239.23589	1.7
257.24789	1.3
313.27316	72.8
314.27649	2.3
339.07425	0.4
467.37265	63.4
468.37479	2.9
548.12689	0.4
626.17938	0.5
826.51172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65765	0.9
61.02908	2.1
65.03931	4.0
67.05495	71.0
69.03413	7.1
69.06700	1.5
69.07063	20.8
71.04987	2.8
71.81306	1.6
73.02918	1.2
75.49628	0.9
76.75658	0.9
79.05482	64.9
81.03403	4.3
81.07043	64.0
82.07365	1.4
83.04954	6.1
83.08609	21.8
84.08135	1.1
85.02900	3.5
85.06523	3.0
86.09701	3.7
91.05464	42.1
93.07030	62.6
94.07334	1.3
95.04953	8.4
95.08596	42.6
97.02888	2.4
97.06506	6.7
97.10155	42.2
97.10804	1.2
99.04443	1.0
99.08083	1.5
101.09654	1.4
105.04539	1.4
105.07016	35.3
107.04940	5.0
107.08578	70.8
108.08911	1.7
109.02881	2.0
109.06491	4.2
109.10143	25.3
111.04444	1.1
111.08055	2.8
115.05464	1.4
117.07018	12.4
119.08559	24.3
121.06533	1.4
121.10133	21.4
123.08102	2.0
123.11729	7.1
125.00010	1.6
125.09617	32.0
127.03902	2.3
129.06984	3.0
130.07768	1.1
130.08659	2.1
131.08549	21.0
133.10109	21.4
134.10378	1.1
135.08015	5.7
135.11668	17.3
137.09613	2.7
137.13281	1.8
143.08557	5.3
143.10648	1.5
145.10098	22.7
146.08069	0.9
147.07994	1.3
147.11664	14.4
149.09586	8.7
149.13222	5.4
151.11102	1.5
153.09100	3.0
155.08493	1.5
157.10056	4.8
159.11674	11.7
161.09608	1.0
161.13263	6.1
163.11172	2.9
163.14827	2.6
169.10138	1.8
171.10181	2.8
171.11673	5.3
173.11824	2.0
173.13210	7.3
174.22302	1.0
175.14804	3.1
177.12770	2.6
177.16318	1.0
179.14340	1.4
183.11693	3.0
184.07321	11.1
184.08778	1.6
185.13271	3.5
187.13310	1.6
187.14709	5.4
189.11198	19.5
189.12834	1.5
191.14201	1.4
197.13242	2.9
199.14825	1.8
201.16356	2.0
205.08618	0.9
211.14757	2.1
215.17773	1.5
219.17413	2.0
227.12749	43.9
229.19516	1.7
239.17973	2.2
241.19562	1.5
243.15823	1.7
243.21021	4.9
245.13795	4.0
257.18958	10.6
259.20496	4.2
261.22119	16.2
275.20026	37.4
277.21680	1.4
291.19647	1.0
317.24747	2.0
331.22491	5.3
333.24161	4.4
335.25757	85.8
336.26587	1.9
349.23679	44.3
351.25266	3.5
367.29813	1.7
389.17917	3.2
441.33640	1.3
487.34265	3.2
505.35080	20.4
517.40717	1.6
535.41406	1.5
591.43848	1.8
609.45026	100.0
610.45178	6.6
627.46021	18.6
649.39337	5.7
820.55072	1.1
825.47412	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.2
63.07196	0.7
65.03922	4.8
67.05494	82.8
68.05817	0.8
69.03414	9.3
69.07058	29.6
69.58572	0.8
69.72086	6.1
71.04969	4.4
71.08599	1.0
73.02908	1.6
73.06553	0.9
77.03886	0.9
79.05481	64.4
81.03409	11.6
81.07044	91.0
82.07390	0.9
83.04964	11.1
83.08599	12.8
85.02895	6.2
85.06530	3.7
86.09688	2.1
91.03948	1.4
91.05466	49.1
93.07030	75.4
95.04953	13.8
95.08590	53.9
97.02872	3.4
97.06508	12.1
97.10166	5.1
99.04442	1.9
99.08092	4.4
103.05486	2.4
105.04498	1.0
105.07011	34.5
107.04946	5.9
107.08581	40.8
109.02850	1.3
109.06503	7.0
109.10136	22.1
111.04436	1.5
111.08080	4.7
113.09617	1.4
115.05478	1.1
116.06225	1.1
117.06995	17.9
117.07799	1.2
119.08562	26.9
119.66850	0.9
121.06519	3.3
121.10128	29.3
121.10981	1.7
123.08040	4.5
123.11693	6.3
125.00007	1.6
125.09640	3.4
127.03884	3.8
128.06236	1.0
129.05469	2.8
129.06996	6.3
130.07751	1.4
131.08546	21.4
133.06461	1.0
133.10107	22.7
135.08046	4.2
135.11670	19.7
137.09602	3.2
137.13182	1.2
139.11230	2.4
141.07024	1.4
143.08516	5.6
145.04997	1.2
145.06447	1.4
145.10104	16.2
147.08064	1.1
147.11661	11.8
149.09610	9.8
149.13220	14.6
151.11226	2.8
155.08504	2.0
157.10114	5.0
159.11678	15.0
161.09592	1.1
161.13214	6.5
163.11140	5.0
163.14819	2.7
165.12776	1.7
167.08521	1.1
169.10138	3.4
171.11650	5.3
173.04509	2.0
173.09595	1.3
173.11798	1.4
173.13187	7.3
174.17296	0.8
175.11232	1.4
175.14803	2.4
177.12761	2.9
177.16356	1.1
179.14191	0.8
181.10117	0.9
181.12303	1.0
183.11685	2.9
184.07338	7.8
185.07603	1.1
185.13257	2.1
187.11258	1.3
187.14789	3.1
191.14296	1.0
195.11972	1.3
195.13715	5.8
197.13240	1.5
199.14748	1.7
201.12804	1.4
203.14400	1.0
211.14909	1.0
213.14780	1.1
217.15962	1.1
227.12785	2.3
227.17760	0.9
229.14240	1.9
229.19482	2.0
235.16869	1.0
239.17998	2.7
243.21002	4.5
245.19278	0.9
247.20604	1.0
251.16371	1.1
253.14334	1.0
253.18010	1.0
255.15862	12.4
257.19061	6.7
259.20645	2.3
261.22119	10.1
267.15887	2.7
269.17441	33.9
275.20041	22.5
277.21597	1.1
285.22104	1.0
293.21121	3.6
297.22061	0.9
305.20993	1.1
309.20642	3.0
317.24713	3.2
331.22690	2.1
333.24368	1.9
335.25748	100.0
336.26056	2.9
339.17871	1.5
349.23688	22.3
367.24664	4.9
384.98206	0.8
413.21637	2.5
437.33557	1.0
489.35672	1.8
511.37939	1.3
515.37244	19.0
516.37622	0.9
529.38818	77.2
530.39075	2.9
543.40173	1.2
547.39789	1.4
569.41882	9.2
609.45068	27.2
610.44617	1.6
627.46179	8.2
673.42566	1.7
771.50574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69085	1.4
61.02908	2.4
65.03928	3.5
67.05498	44.6
69.03412	2.8
69.07066	15.2
69.12403	1.1
71.79678	2.2
79.05482	38.7
81.06560	1.9
81.07047	38.9
81.07477	1.4
83.04971	2.5
83.08585	8.2
85.02883	3.2
85.06584	1.8
86.09698	7.2
91.03928	1.7
91.05475	41.2
93.07032	41.8
95.04953	7.0
95.08595	32.6
97.02856	2.5
97.06507	5.0
97.10157	3.0
105.04528	1.7
105.07018	43.4
106.51358	1.7
107.04943	2.0
107.08572	23.2
109.06522	2.1
109.10144	13.2
111.08062	1.7
115.05455	2.9
117.06994	17.6
119.08566	31.9
121.06457	1.7
121.10130	16.8
121.64181	1.4
123.08053	2.4
123.11707	3.8
124.99966	2.7
125.09628	1.5
128.06213	4.3
129.06970	15.2
131.08553	25.6
133.10127	25.5
135.11682	7.5
137.09525	1.4
141.06992	4.9
142.07741	2.7
143.08557	13.9
145.10117	22.2
147.11664	14.6
149.13252	5.2
155.08577	8.4
156.81610	1.6
157.10109	14.7
159.11684	18.0
161.13234	6.6
165.07002	1.5
166.04233	1.4
167.08592	5.5
168.09206	1.9
169.10120	15.9
171.11697	12.3
173.13206	8.0
175.14810	4.4
179.08574	2.8
181.10106	5.6
183.11699	10.3
184.07304	23.3
185.13219	8.7
187.14784	4.8
189.16394	2.7
195.11642	5.3
197.13309	7.6
199.14793	6.7
201.16420	2.9
209.13208	5.5
210.13907	1.9
211.14856	4.8
213.16386	3.7
215.17751	1.5
221.13200	2.9
223.14777	5.0
225.16367	3.6
227.17995	2.6
232.36044	1.5
235.14723	2.2
237.16371	3.5
239.17973	3.5
241.19637	2.8
251.18042	3.1
257.18961	4.4
259.20569	6.4
261.22037	1.7
333.24301	6.5
335.25775	4.2
349.23825	1.6
351.26724	2.7
447.32437	2.3
483.34628	1.4
487.34283	1.9
489.40796	1.7
501.36014	2.2
515.37390	2.2
517.40533	9.1
535.41492	2.1
537.49896	1.7
539.37292	3.3
591.43945	11.3
609.45074	100.0
610.45160	4.3
717.46844	2.5
753.48395	1.6
771.49902	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04975	2.7
61.02911	2.1
65.03918	2.4
66.56197	0.9
67.05496	65.2
68.05849	0.8
69.03416	4.5
69.07060	19.3
69.59870	8.8
70.06586	1.0
71.01333	1.3
71.04646	1.1
71.04984	8.3
73.02897	1.4
79.05486	43.1
81.03408	80.1
81.07046	63.4
82.03755	1.0
83.04966	12.5
83.08609	29.3
84.08952	1.0
85.02901	5.5
85.06529	5.2
86.09676	2.2
87.04430	1.5
91.03975	1.5
91.05466	44.1
91.06041	2.1
93.06435	2.0
93.07031	41.1
95.04953	33.8
95.08001	1.5
95.08595	26.6
97.02883	5.1
97.06519	13.9
97.10155	15.8
99.08074	2.1
101.06010	1.0
104.26178	0.8
105.03466	0.9
105.07016	33.1
107.04958	11.8
107.08577	31.8
108.41187	0.8
109.06508	9.7
109.10143	33.6
111.04423	2.9
111.08078	13.4
115.05437	2.9
115.07572	1.3
117.07003	11.7
119.08565	32.3
121.06467	8.4
121.10128	17.8
123.04406	2.4
123.08053	6.1
123.11700	5.8
125.05918	1.0
125.09617	11.2
128.06226	1.5
129.05502	1.7
129.06989	14.9
131.04892	1.7
131.08543	24.1
133.06476	6.0
133.10106	21.1
135.04367	1.2
135.08058	7.3
135.11679	14.5
136.90874	0.9
137.05940	1.2
137.09595	5.4
139.11171	1.2
141.06964	2.2
142.07747	3.1
143.08533	6.2
143.10672	1.1
145.06462	4.2
145.10112	14.4
147.08032	6.0
147.11674	17.0
149.05878	1.0
149.09615	12.2
149.13213	6.3
151.07489	1.0
151.11165	3.4
153.09094	2.3
153.12753	1.1
155.08519	3.1
155.10640	1.6
155.48959	0.9
157.06465	1.3
157.10097	17.8
159.08025	2.7
159.11665	8.3
161.09598	2.8
161.13226	3.5
163.11151	9.0
165.12715	4.1
167.08482	1.5
169.10136	2.7
171.07996	1.5
171.10287	1.4
171.11673	4.8
173.09567	1.9
173.11684	8.1
173.13245	4.1
175.11148	12.1
175.14803	1.2
177.12704	3.7
181.10135	2.4
181.12222	2.7
183.11655	3.7
184.07310	4.5
185.09554	2.3
185.13243	3.8
187.11125	3.2
189.11198	5.2
189.12714	1.9
191.24089	1.0
193.12221	29.4
193.14003	1.6
195.13823	2.3
197.13271	2.7
199.14761	2.2
203.10600	0.9
203.14221	2.1
205.12170	1.7
207.13701	1.8
209.13274	1.3
211.13229	4.9
211.14975	1.3
213.12753	1.6
217.15800	2.8
219.13799	1.4
223.14937	1.4
227.12680	8.8
229.14330	24.2
229.19418	2.0
233.15276	1.8
239.17975	1.6
249.14835	2.9
255.15828	9.9
257.15405	1.1
257.18906	3.7
267.15878	100.0
268.16315	1.6
269.17480	10.0
273.14749	1.0
273.18573	1.1
275.20047	20.3
285.16806	2.0
291.19550	2.3
293.21097	4.4
313.21732	1.0
315.23111	1.1
329.21143	1.7
330.17078	0.9
331.22510	2.0
347.22067	1.7
349.23712	17.0
351.23264	1.4
367.24802	17.7
369.24173	5.1
373.23822	1.3
387.25165	1.5
403.24814	3.0
405.26224	2.5
421.25806	35.4
433.29565	1.7
435.26910	1.3
437.29123	1.4
443.27954	10.2
447.27365	17.4
449.30380	2.9
459.27274	1.8
461.28937	64.7
462.28812	2.0
465.22083	1.8
465.28400	28.0
466.28564	2.2
467.31302	2.7
475.30328	3.6
477.28650	1.5
479.29791	4.4
485.32513	1.3
493.31668	30.4
494.31924	1.0
501.32260	2.2
503.30029	1.6
511.32462	2.7
523.33875	2.7
541.35187	57.0
542.35303	2.2
547.28967	1.3
559.36249	65.9
560.36365	3.0
569.30847	1.4
573.37543	2.4
583.35858	2.2
587.31763	2.4
591.38385	3.2
601.36652	1.1
605.33044	1.9
623.33881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	7.3
62.52031	0.5
65.03916	1.1
67.05492	41.1
68.05811	0.5
68.84544	0.5
69.03085	0.4
69.03418	3.6
69.07057	11.5
71.01349	3.5
71.04977	4.8
71.80110	1.0
73.02910	3.3
74.86629	0.5
79.05481	36.1
81.03405	45.7
81.07042	27.4
83.04965	13.8
83.08114	0.7
83.08607	17.4
85.02892	20.7
85.06528	3.5
86.09667	1.0
87.04406	0.8
91.03938	6.3
91.05465	26.1
93.07030	39.8
94.07360	0.6
95.04953	20.2
95.08591	9.0
97.02883	7.2
97.06511	11.7
97.09578	0.9
97.10147	10.4
99.04429	1.3
99.08073	2.5
105.06353	0.9
105.07014	14.5
107.04962	4.9
107.08577	29.0
109.06522	3.1
109.10137	5.8
111.04412	2.9
111.08058	7.7
113.05995	1.2
115.05414	1.4
117.07005	4.5
119.04897	0.5
119.08566	16.8
121.06454	2.2
121.10117	10.3
123.08026	1.9
123.11658	1.9
125.05954	0.7
125.09588	2.3
127.03866	2.2
129.06252	0.6
129.06992	6.9
131.08540	8.7
133.06435	1.5
133.10110	9.3
135.08020	0.8
135.11673	43.3
136.11972	0.5
137.09558	2.6
137.13319	0.6
142.07724	1.2
144.09212	0.5
145.04913	2.2
145.10112	9.3
147.08008	2.1
147.11664	9.1
149.09598	4.9
151.11185	0.8
153.09061	0.5
153.12701	1.8
157.10092	10.4
163.05959	2.3
163.11156	6.4
165.12726	2.1
175.11160	8.8
181.12213	8.2
184.07298	1.6
193.12212	28.4
199.13292	1.4
209.11520	0.6
211.13261	27.2
229.14359	0.8
249.14894	0.9
249.62907	0.5
255.15880	88.4
256.16190	2.5
267.15860	22.4
285.16919	20.0
355.22568	0.7
421.25558	2.5
429.26105	0.9
447.27365	52.4
448.27728	2.3
465.28418	100.0
466.28665	4.2
609.32721	1.9
665.69073	0.7
683.53662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.9
57.07063	1.2
59.04997	0.9
60.08158	5.7
65.03922	1.1
67.05495	30.4
69.03416	4.4
69.06689	1.0
69.07056	17.9
69.21172	0.5
69.67780	4.8
69.68095	0.5
71.04969	1.5
71.07353	2.9
79.05483	20.4
79.33889	0.5
81.03393	2.6
81.07044	26.9
83.04955	1.9
83.08600	6.3
85.02882	0.5
85.06505	0.9
86.09693	28.1
91.04922	1.0
91.05463	13.3
93.07033	22.5
95.01255	0.7
95.04414	0.5
95.04962	5.6
95.08588	19.9
97.02872	6.1
97.06531	2.9
97.10161	5.6
98.98425	3.0
104.10723	2.2
105.04594	0.5
105.07012	11.1
107.04925	2.6
107.07913	0.9
107.08582	13.2
109.06482	1.9
109.10141	9.1
111.08076	1.7
116.53815	0.5
117.07007	5.4
119.04919	1.0
119.08569	8.7
121.06467	2.2
121.10124	8.5
123.08039	2.0
123.11727	2.4
124.99983	17.7
125.09592	4.6
129.06999	2.0
131.08549	5.9
133.06491	1.4
133.10107	4.7
134.07285	0.8
135.08014	2.0
135.11664	5.7
137.09566	1.2
143.08517	1.9
145.10110	4.8
147.08018	2.3
147.11673	3.6
149.09587	1.1
149.13242	2.9
157.10120	1.5
159.11678	3.2
161.09555	1.1
161.13231	1.6
163.11201	1.0
163.14836	1.0
165.09169	0.6
171.10141	0.8
171.11641	0.6
173.13205	1.5
175.11156	1.0
175.14720	0.7
177.12683	0.6
181.09973	0.5
184.07317	100.0
185.13358	0.5
187.14713	0.6
189.11201	2.3
189.12735	0.5
193.12144	0.8
195.13690	0.6
205.12289	0.9
211.13315	0.8
223.13239	9.4
224.08266	0.5
227.12762	2.0
233.15366	0.6
243.21054	1.3
245.18956	1.0
249.14851	2.2
261.22113	4.5
273.18411	7.1
291.19495	55.2
292.19830	1.7
312.94876	0.5
317.24710	1.4
335.25748	54.2
336.25961	1.4
347.22104	1.1
365.23190	27.3
366.23077	1.0
382.92831	0.5
385.17059	0.5
413.61331	0.5
505.35324	0.8
545.38269	1.8
607.43640	1.3
610.27368	0.6
624.28668	1.3
625.44550	55.3
626.44830	3.9
633.44666	0.6
650.43500	0.9
704.48682	3.8
754.54211	0.6
772.54150	2.1
790.55457	0.8
822.58167	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	822.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.7
57.07045	2.5
65.03940	2.3
67.05495	40.8
69.03374	1.3
69.07059	31.4
70.47525	1.1
71.04962	2.8
71.81932	1.2
71.82291	1.2
79.05481	42.7
81.03399	6.7
81.07043	58.9
83.04987	5.6
83.08614	7.7
85.06529	2.1
91.05470	62.1
93.07032	45.2
95.01319	8.0
95.04947	10.6
95.08595	34.3
97.06522	17.1
97.10148	3.3
99.08051	1.9
105.07017	85.6
107.04929	13.2
107.08578	24.1
109.06494	4.5
109.10132	9.1
111.08053	2.0
113.09632	1.7
115.05383	1.1
117.06178	1.3
117.06995	18.7
119.08563	47.3
121.06486	1.7
121.10133	14.1
123.04388	1.4
123.08036	3.5
123.11713	2.0
124.99970	1.5
125.09585	2.7
129.05507	1.4
129.07018	6.6
129.13716	1.1
130.07727	1.2
131.08554	26.3
133.06450	2.1
133.10109	52.0
134.10368	1.2
135.08031	3.1
135.11662	10.3
137.09592	2.4
139.07597	2.3
141.06966	2.4
142.44334	1.3
143.08534	6.8
145.06424	1.9
145.10109	20.3
147.08000	1.4
147.10596	1.0
147.11659	26.5
148.11948	1.7
149.09602	6.1
149.13225	4.8
155.08492	1.7
157.10072	5.5
159.08040	1.5
159.11693	16.4
161.09573	1.9
161.13245	14.3
163.11189	4.1
163.14854	1.8
165.09109	1.8
169.10100	3.3
171.11598	6.0
173.13264	7.0
175.14755	5.9
177.12730	2.4
179.14281	9.7
183.11664	1.9
184.07295	3.5
185.13211	5.1
187.11183	2.2
187.14789	3.4
197.13220	1.7
199.14809	3.3
201.16484	2.1
213.16339	1.8
229.19601	1.5
231.20882	1.5
239.17953	1.6
241.19458	15.5
247.20613	1.4
257.18973	5.1
259.20554	30.3
275.20035	54.5
276.20349	2.6
277.21649	1.9
289.21500	1.6
293.21024	3.1
315.23206	10.6
333.24203	55.2
334.24390	2.5
349.23691	45.5
350.24136	1.8
513.35583	1.9
533.39166	2.3
607.43512	100.0
608.44122	5.5
625.44489	14.1
814.66821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.0
57.07042	1.7
59.04972	0.9
60.08161	5.0
61.02899	1.1
65.03910	2.0
67.05498	49.2
69.03424	7.5
69.07061	26.2
71.04947	2.1
71.07363	2.7
79.05486	35.0
80.05788	0.7
81.03408	3.1
81.07048	41.2
83.04969	4.0
83.08610	10.5
85.02878	1.2
85.06509	2.1
86.09697	29.9
91.04924	0.9
91.05470	20.3
93.07033	37.0
95.04964	8.5
95.08598	30.1
97.02328	0.6
97.02889	9.4
97.06504	3.2
97.10156	11.0
98.17197	0.5
98.98481	2.8
103.05391	0.8
104.10754	2.4
105.07015	15.5
107.04948	4.4
107.08579	21.1
109.06507	2.9
109.10148	12.7
111.04346	0.6
111.08062	2.0
115.05424	0.7
115.71196	0.5
117.06998	6.9
119.04912	1.0
119.07751	0.6
119.08571	14.6
121.06494	3.1
121.10133	12.7
123.08025	2.8
123.11703	3.3
124.99992	19.2
125.09626	7.3
128.06154	0.8
129.06981	2.4
130.07771	0.5
131.07655	0.8
131.08562	9.6
131.09494	0.5
133.06494	2.5
133.10104	8.7
134.07219	0.5
135.08040	3.2
135.11679	7.3
137.09581	2.2
139.11179	0.5
141.06953	0.6
143.08559	2.9
145.06464	0.7
145.10115	8.0
147.08049	3.9
147.11664	5.9
149.09572	1.5
149.13231	4.0
151.11174	1.1
153.09000	1.0
157.10136	3.0
159.11676	4.2
161.09589	2.2
161.13232	1.7
162.10309	0.7
163.11147	1.4
163.14781	1.0
165.09062	1.2
169.10115	0.8
169.12288	1.0
171.10240	0.8
171.11652	1.5
173.13275	2.1
175.11154	2.2
175.14789	1.1
177.12697	1.3
181.10129	0.5
184.07326	100.0
185.13165	1.0
187.14803	1.4
189.11212	4.1
189.16286	0.8
205.12215	1.5
223.13243	16.7
227.12746	2.7
243.20969	2.5
245.19083	1.0
249.14832	3.0
255.17403	1.5
261.22086	6.9
263.19846	0.7
267.15958	0.9
273.18475	10.6
275.19922	0.7
286.73767	0.6
291.19510	75.3
292.19910	2.2
300.13754	0.7
309.20221	0.6
317.24805	2.6
335.25769	78.1
336.26147	2.3
347.22165	2.3
365.23203	39.7
366.23578	1.5
377.60016	0.5
505.35190	0.8
527.37317	1.0
545.38092	2.9
546.38538	0.6
551.40704	0.7
555.16180	0.5
557.37927	0.7
607.43457	1.8
624.28638	0.8
625.44568	76.5
626.44995	5.0
641.24506	0.7
650.44617	1.0
689.43121	0.7
704.48486	2.7
772.54834	1.9
790.55646	0.8
822.58392	3.2
829.11200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	8.2
57.07058	3.2
60.08153	5.4
65.03924	2.6
67.05495	59.6
69.03407	3.6
69.07065	18.5
71.04972	4.5
71.07346	2.2
71.08630	1.1
73.02912	1.4
79.05025	2.2
79.05484	42.3
81.03396	6.0
81.07047	64.7
83.04966	15.0
83.08615	8.4
85.02898	2.2
85.06515	4.6
86.09699	30.3
87.95364	1.2
89.06017	1.6
91.05466	49.1
93.07033	49.0
94.33870	1.0
95.04948	11.9
95.08593	36.5
97.02862	1.2
97.06503	5.2
97.10159	2.9
98.21463	2.4
98.98463	1.8
99.04452	1.3
99.08080	1.8
105.07018	39.1
107.04964	6.3
107.08582	37.1
107.30638	1.1
109.06523	7.6
109.10149	38.6
111.04395	1.2
111.08035	2.7
113.05920	1.4
115.05410	1.7
115.87371	1.3
117.06980	10.5
119.04955	1.3
119.08562	17.5
121.06480	6.8
121.10129	19.1
123.08033	5.5
123.11692	8.9
124.99983	20.2
125.05930	1.5
125.09604	2.2
127.07535	2.4
128.06253	1.6
129.06984	3.3
131.08543	15.8
131.12221	1.1
133.06467	5.0
133.08604	2.1
133.10110	50.2
135.08044	6.4
135.11699	10.8
137.09601	1.6
143.08531	5.6
145.06500	1.6
145.10097	8.9
147.08000	3.8
147.11678	7.7
149.09615	5.9
149.13216	5.5
151.11166	19.9
157.10092	4.1
159.08003	2.4
159.11688	5.3
161.09560	6.5
161.13261	5.4
163.11169	2.2
163.14810	1.7
165.05496	2.1
169.12184	4.1
171.08105	1.4
171.11655	3.2
173.13225	3.9
175.11156	4.7
177.09087	2.3
177.12700	2.1
179.10638	2.5
184.07324	100.0
185.07663	1.3
185.13243	3.1
187.14757	2.1
189.12740	2.0
189.16318	1.2
189.73444	1.1
195.11678	1.6
201.12643	1.4
202.13872	1.1
202.15785	2.0
215.12823	3.1
223.15402	1.2
227.17810	1.4
243.21103	3.6
245.19016	3.8
251.12738	2.3
253.14319	54.8
255.17421	3.2
259.20648	1.8
261.22131	11.2
263.20007	4.0
271.15387	2.0
273.15634	2.2
273.18451	24.8
275.19958	1.5
280.71671	1.2
291.19519	24.7
300.13583	1.8
309.20471	1.3
317.24667	2.6
325.50363	1.1
335.25772	59.7
336.25867	1.6
347.22186	9.8
365.23215	40.5
365.27783	2.2
366.23688	1.5
457.33017	2.6
513.35614	5.8
515.38995	1.3
520.84241	1.2
529.34900	1.7
531.36780	13.4
533.39502	1.4
563.36749	1.4
607.43158	8.0
625.44586	74.2
626.44653	3.8
643.45544	1.9
650.43268	2.6
772.53552	1.5
822.57275	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	0.8
57.03433	8.5
57.07050	2.3
60.08157	1.0
61.02923	2.0
65.03917	2.9
67.05495	67.0
68.05829	0.9
69.03413	4.4
69.07058	18.1
71.04974	5.8
71.81999	1.3
74.98002	0.7
79.05482	45.7
80.06253	0.9
81.03416	5.6
81.07045	65.1
82.07398	0.9
83.04974	9.3
83.08231	0.7
83.08615	7.2
85.02866	1.8
85.06522	4.8
86.09686	5.5
91.05466	46.2
93.07031	50.8
95.04961	10.6
95.08598	33.1
95.09139	0.7
97.02865	1.5
97.06512	5.2
97.10133	2.4
99.04433	1.9
99.08079	1.9
103.05431	1.7
105.04512	1.2
105.07013	41.6
107.04937	6.2
107.08578	39.0
109.06507	7.3
109.10140	44.5
110.10449	0.8
111.04391	0.9
111.08064	2.2
112.04274	0.8
112.09927	0.8
113.06043	1.5
115.05391	0.8
117.07008	8.0
119.08559	15.4
121.06497	5.3
121.10133	17.5
123.08063	4.1
123.11687	10.2
125.00000	3.3
125.09596	2.7
127.03822	1.0
127.07525	2.2
128.06194	1.1
129.06990	3.5
131.07642	1.4
131.08554	16.5
133.06467	3.0
133.10110	58.6
135.08037	6.0
135.11685	10.4
137.09544	1.1
139.07576	1.0
141.06937	1.0
143.08560	4.4
145.10123	9.5
147.08023	3.1
147.11653	5.7
149.09601	5.4
149.13226	4.1
151.11163	25.9
153.09007	0.8
153.12749	1.0
155.08569	1.0
157.10100	2.5
159.08035	1.4
159.11655	6.6
161.09584	4.7
161.13249	3.8
163.07504	0.9
163.11154	3.1
163.14751	1.8
169.10158	1.0
169.12283	3.6
171.11668	3.2
173.09616	1.5
173.13229	3.5
175.11177	3.4
175.14821	1.6
177.09142	1.1
179.10674	1.6
183.11629	1.3
184.07314	18.4
185.07713	1.0
185.13284	1.5
187.14766	2.0
189.12697	1.0
189.16370	0.8
201.16376	1.1
203.14343	1.2
213.16293	0.9
215.12711	2.9
223.13211	1.1
227.17882	1.8
229.45956	0.8
235.16911	0.8
237.16544	1.3
241.19569	1.1
243.21075	3.1
245.18880	4.1
251.12621	1.9
253.14319	100.0
254.14667	2.2
255.17525	1.8
259.20490	2.8
261.22079	11.0
263.20053	3.4
271.15494	0.9
273.18481	18.7
275.20142	1.3
291.19492	21.2
309.20624	2.2
317.24750	1.9
329.20819	1.3
333.24069	1.8
335.25766	65.5
336.26123	2.0
347.22113	8.8
363.25232	2.2
365.23178	34.4
366.23422	1.4
383.24197	1.0
439.31735	1.5
457.33051	2.5
513.35620	6.9
515.37433	0.9
529.35126	1.9
531.36804	18.3
532.36792	1.1
607.43878	5.3
625.44562	64.2
626.44751	5.4
643.45758	1.2
645.77216	0.8
769.47247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03167	1.3
57.03429	19.6
57.07062	3.1
59.04994	2.9
59.54569	0.9
61.02914	3.7
61.43868	1.0
65.03922	4.1
67.05495	100.0
68.05793	1.0
69.03416	9.9
69.07056	47.1
69.47339	10.4
70.06581	1.3
71.01335	2.3
71.04983	15.4
73.02907	3.9
77.03918	1.1
79.05483	62.1
80.06258	1.4
81.03407	55.0
81.07046	90.6
82.04183	2.2
82.07393	1.1
83.04969	22.8
83.08611	31.7
83.53528	0.8
84.04485	1.2
85.02397	1.3
85.02896	20.8
85.06070	1.1
85.06528	6.5
86.09668	2.0
87.04470	1.7
91.03928	1.8
91.05467	68.3
92.05775	0.9
93.07030	64.3
94.07338	1.5
95.04958	35.0
95.08595	40.4
97.02874	8.1
97.05885	1.3
97.06517	26.8
97.10155	15.6
98.07326	1.4
99.04459	2.9
99.08078	3.3
100.00761	0.9
101.06039	1.2
103.05448	1.4
105.04539	1.2
105.07018	42.1
105.07734	2.0
106.07300	1.1
107.04941	15.7
107.08576	37.8
108.08910	1.2
109.02872	2.5
109.06505	11.2
109.10143	39.4
111.04416	6.9
111.08073	15.5
113.05981	3.0
113.09665	1.3
115.05417	2.5
115.07528	1.2
116.04720	2.6
117.07001	20.5
119.04907	1.4
119.08565	36.0
121.06503	8.4
121.10120	24.2
123.04428	1.6
123.08053	8.9
123.11659	3.8
124.99928	1.1
125.05956	1.6
125.09620	14.6
127.03890	3.4
128.06207	1.9
129.05476	10.6
129.06976	12.9
130.07741	1.4
131.08553	26.4
131.09483	1.9
133.06477	4.0
133.10110	28.4
135.08044	7.4
135.11676	13.1
137.09598	12.5
139.07510	1.3
139.11162	2.5
141.06961	2.2
142.07767	2.9
143.06972	2.0
143.08562	4.9
143.10692	1.0
144.09277	1.2
145.06502	1.6
145.10106	15.7
147.08092	5.3
147.11676	19.2
149.09604	20.6
149.13234	12.6
151.07339	1.1
151.11180	4.6
153.09033	1.5
153.12729	2.1
155.08545	3.1
155.10623	1.9
157.08600	3.5
157.10117	14.6
158.05722	1.8
159.08052	1.5
159.11644	12.8
161.09639	3.6
161.13203	4.2
163.11171	12.6
165.09113	1.7
165.12727	3.8
169.10091	1.2
171.10170	2.6
171.11647	3.5
173.04427	2.2
173.09622	2.7
173.11717	10.8
173.13252	3.9
175.11159	13.0
175.14803	1.6
177.12732	4.9
179.14299	2.1
181.12192	1.8
183.11684	2.3
184.07353	3.4
185.11781	1.3
185.13318	2.0
187.11102	1.0
187.13135	1.0
187.14777	1.9
189.09579	0.9
189.11198	6.4
189.12648	1.2
191.10599	1.7
193.12222	33.0
195.13756	7.9
197.13278	1.7
199.11560	1.2
199.13277	5.4
199.14877	1.2
209.11665	8.9
211.13254	39.6
211.15175	2.2
213.16559	1.1
219.13840	1.1
223.13313	1.1
227.12737	10.5
229.14313	20.3
229.19296	1.8
233.15283	1.7
239.18053	1.5
241.14214	1.6
247.20668	1.3
249.14856	3.5
255.15974	3.0
257.18961	5.2
267.15857	27.2
269.17456	25.4
273.18518	3.3
274.27414	3.8
275.20026	23.0
283.15378	10.0
283.18497	1.6
285.16934	26.9
291.19482	4.4
293.21066	1.8
299.14819	1.1
301.16470	20.1
307.22662	1.7
315.17908	1.4
323.18658	2.6
331.22629	1.1
347.22363	1.3
349.23734	21.3
355.17438	1.7
363.21692	1.5
365.23376	2.2
373.18546	2.7
381.22385	1.2
381.26743	1.7
383.24231	3.5
393.26193	3.6
411.27283	6.0
413.21591	2.9
421.25720	10.6
423.27393	17.7
435.27148	1.2
437.25311	1.5
439.26892	32.0
443.28400	1.1
445.29840	1.4
453.28516	1.4
455.26361	3.9
459.27530	1.5
461.28986	10.1
462.29175	3.4
463.30634	19.6
464.30786	1.7
477.28448	13.8
479.30011	21.8
495.29382	12.8
539.33447	1.4
541.35455	8.8
543.36273	1.5
557.34424	5.1
559.36353	18.2
560.36456	1.6
567.31543	1.3
575.35712	14.8
577.37256	4.3
583.31140	2.7
591.39142	2.3
593.36633	1.3
607.38452	6.2
623.34009	2.5
639.33789	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	822.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	23.5
57.07060	2.4
59.04993	6.1
61.02917	2.4
61.22218	0.9
65.03926	4.8
67.05498	100.0
69.03416	10.9
69.07059	44.9
69.83710	1.8
69.84132	4.5
71.01350	2.4
71.04987	11.8
71.08608	1.7
72.51981	1.1
73.02915	2.2
73.06522	1.0
79.05484	55.4
81.03408	89.4
81.07047	69.2
81.77872	0.8
82.07389	1.0
83.04975	15.7
83.08611	31.6
85.02899	6.6
85.06537	6.9
86.09693	1.0
87.04453	4.4
87.96133	0.8
91.05469	65.6
93.07034	56.6
95.04957	41.8
95.08595	40.7
96.08900	1.1
97.02898	7.5
97.06522	16.3
97.10162	13.9
98.20729	2.2
99.04439	3.8
99.08089	3.6
103.05437	1.2
105.03371	0.9
105.07017	45.9
107.04937	15.6
107.08585	33.4
107.09295	1.1
109.02863	2.0
109.06490	8.4
109.10147	45.7
111.04475	5.5
111.08063	14.6
113.09667	1.6
115.05446	3.1
117.07005	16.0
119.04941	2.0
119.08567	35.7
121.06509	9.8
121.10126	22.3
121.10979	1.4
123.04424	2.0
123.08035	7.6
123.11706	4.2
125.05986	1.2
125.09631	12.0
127.03872	3.0
128.06204	3.2
129.05470	2.7
129.06976	14.2
130.07791	0.9
131.04938	1.1
131.08549	26.4
133.06488	5.4
133.10103	22.9
133.11017	1.6
134.38982	1.0
135.08047	6.2
135.11691	14.8
137.05972	1.5
137.09576	12.9
139.07600	1.2
139.11151	1.3
141.07004	2.2
141.09029	1.2
142.07774	4.1
143.08540	6.7
145.06516	3.6
145.10121	15.5
147.04478	1.2
147.08006	6.5
147.11678	18.1
149.05971	1.4
149.09601	21.3
149.10689	1.9
149.13228	4.7
151.11168	5.0
153.09105	2.4
153.12691	1.8
155.08534	3.5
155.10626	3.5
157.06517	1.3
157.10106	13.6
159.08041	1.6
159.11665	8.9
161.09605	4.7
161.13281	3.3
163.11165	16.6
165.12753	2.4
167.08572	1.0
169.10101	3.5
171.10249	1.9
171.11684	5.3
173.04471	1.0
173.09590	2.6
173.11737	14.4
173.13258	3.3
175.11147	10.9
175.15147	0.9
177.09129	1.1
177.12767	3.8
179.14337	1.9
181.10065	1.3
181.12230	2.6
183.11681	2.7
184.07333	3.8
185.09579	1.4
185.13251	3.5
187.11206	2.6
187.13272	1.5
189.09186	0.9
189.11206	5.2
189.12701	1.5
191.10629	3.6
193.12215	32.3
195.11861	1.7
195.13823	3.7
197.13264	1.7
197.15361	1.2
199.13295	3.1
201.12784	2.3
203.14334	1.5
205.12242	2.6
209.11623	2.2
211.13165	6.7
213.16486	1.1
215.14427	1.0
219.13773	1.4
223.13268	3.2
225.14763	4.8
227.12712	13.2
227.14474	1.2
229.14316	46.2
231.13763	1.2
235.13272	1.8
237.14758	1.4
238.18015	1.0
239.17920	1.3
241.14365	2.2
243.15858	5.8
247.20436	1.8
249.14899	3.6
253.14185	1.8
255.15787	8.8
257.18976	3.6
259.15363	1.7
265.14252	1.1
265.53580	1.0
267.15887	89.9
268.16315	1.5
269.17438	6.3
273.14868	1.8
273.18494	4.7
274.01843	1.2
275.20023	13.9
277.21783	1.3
283.15408	1.6
285.16971	3.4
289.18185	1.4
291.19498	7.0
293.21115	1.7
297.16907	1.5
299.18533	1.9
301.14105	1.3
309.16794	1.6
309.20462	1.2
311.19971	1.5
311.35382	1.0
315.18069	3.4
321.24100	1.1
329.21045	4.4
331.22687	1.3
343.22678	1.5
347.22217	1.3
349.19479	1.7
349.23679	15.4
355.22665	1.2
363.21439	1.7
365.23190	4.2
367.24307	1.5
368.42307	1.2
383.24350	1.4
385.23688	1.4
403.24695	4.8
409.25897	1.9
417.26096	2.2
421.25842	30.3
423.27344	6.5
429.26318	2.5
435.27567	8.1
445.29520	3.1
447.27325	23.4
449.29672	1.2
453.28314	2.6
459.27487	2.2
461.28876	3.8
463.26779	1.3
467.31116	1.6
477.28107	2.8
489.28168	1.3
509.30856	1.2
523.33868	1.4
541.35272	32.6
545.38245	2.7
557.34344	3.2
559.36487	8.5
563.38971	1.9
591.38104	1.3
607.34949	1.1
647.95349	1.0
668.38208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	18.6
57.07067	1.9
59.04986	3.7
61.02920	5.0
62.45470	0.9
65.03925	4.9
67.05495	100.0
69.03419	10.5
69.07058	45.0
71.01350	1.7
71.04985	12.0
71.79878	0.9
71.80284	1.3
73.02901	2.5
79.05484	61.2
81.03407	64.2
81.07045	81.9
82.03745	1.0
82.07368	1.5
83.04513	1.7
83.04973	24.7
83.08609	31.9
85.02894	24.5
85.03395	1.4
85.06530	6.5
86.09691	1.9
87.04466	1.7
91.03954	2.2
91.05470	63.9
92.05803	1.7
93.07030	58.7
95.01313	1.6
95.04338	1.1
95.04955	35.5
95.08592	46.7
97.02868	8.7
97.06518	22.5
97.10152	13.4
99.04450	2.6
99.08076	3.8
102.57648	1.0
103.05478	1.5
105.07014	48.5
107.04943	16.1
107.08575	32.5
109.02862	3.6
109.06507	12.1
109.10141	42.7
111.04432	5.8
111.08069	17.9
113.05994	4.0
113.09634	1.6
113.42500	0.9
115.05438	3.0
116.04695	1.5
116.06202	1.2
117.07007	18.0
118.50748	1.0
119.04876	1.0
119.08566	43.1
119.09422	2.1
121.06496	7.2
121.10125	23.6
123.08036	8.8
123.11697	5.6
125.05972	1.9
125.09605	12.0
127.03895	3.3
127.07565	2.1
128.06253	2.6
129.05505	7.0
129.06985	16.5
131.08549	26.4
133.06430	4.6
133.10114	29.8
135.08028	6.8
135.11664	8.9
137.09602	17.2
139.11136	2.3
141.06973	1.0
142.07748	4.9
143.08540	3.8
145.04895	1.2
145.06442	2.4
145.10107	12.8
147.08047	5.7
147.11665	20.7
149.09599	21.4
149.13254	7.0
151.07599	1.0
151.11156	3.9
153.09038	2.1
155.08574	3.6
155.10622	2.3
157.08690	2.3
157.10103	18.5
159.08064	1.4
159.11673	12.3
161.09624	4.1
161.13213	3.1
163.11160	12.0
165.09125	1.6
165.12767	4.3
169.10107	3.9
171.10249	2.1
171.11678	3.4
173.04340	1.0
173.09525	1.9
173.11736	12.8
173.13251	4.7
175.11171	17.6
177.12755	4.2
179.14211	2.4
181.12280	1.3
183.11638	1.6
184.07339	4.3
185.13211	1.9
187.11183	2.2
187.14786	1.5
189.11209	2.5
191.10619	1.8
193.12227	44.9
195.11722	1.1
195.13820	3.8
197.13242	1.4
199.13297	3.8
203.14388	1.3
205.12184	1.2
207.13617	1.1
209.11568	2.3
210.91319	1.1
211.13264	63.5
212.13545	1.0
227.12645	6.9
229.14311	22.7
229.19402	1.8
233.15408	1.4
239.17912	1.9
241.14404	1.4
243.16039	1.9
247.20636	2.1
249.14870	3.1
251.16455	1.1
255.17619	1.3
257.18961	6.3
267.15884	36.0
268.16214	1.3
269.17435	14.0
273.18454	5.1
274.27368	5.4
275.20004	23.2
283.15460	5.2
285.16925	44.1
286.17361	1.2
289.17987	1.1
290.26602	1.0
291.19534	5.2
293.21185	2.3
299.15079	1.2
301.16437	10.4
329.20908	2.3
331.22653	1.3
335.40292	1.1
337.17087	1.0
349.23700	23.4
363.21640	1.0
365.23038	3.8
371.24286	1.1
373.18445	4.5
381.22705	3.8
381.26981	1.2
383.24194	3.4
411.27341	2.2
413.21930	2.1
421.25830	14.1
423.27545	5.5
437.25534	1.7
439.26862	58.1
440.27316	1.8
443.27954	2.7
447.27734	1.7
453.28619	1.2
455.26617	4.8
461.28903	16.3
463.30563	12.4
464.30643	1.1
467.31213	1.1
477.28470	5.1
479.29993	42.0
480.29984	1.5
495.29337	5.7
523.34363	1.1
539.33063	2.0
541.35162	13.5
557.34424	4.1
559.36279	33.7
560.36401	1.3
575.35785	7.4
577.37067	5.2
583.30878	5.3
591.38763	4.6
593.36188	1.4
605.33209	1.4
607.37476	2.3
619.16949	1.0
623.33643	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	822.447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	26.3
57.07066	3.5
57.50830	0.7
59.04994	5.2
60.56668	0.7
61.02919	5.8
62.49779	0.8
64.19613	0.9
65.03925	4.0
67.05492	100.0
68.05822	1.8
69.03420	10.1
69.07056	16.2
71.01334	2.7
71.04983	6.8
71.08611	0.9
71.80689	1.4
71.81606	0.7
73.02899	8.1
77.03909	1.4
79.05480	39.8
79.57855	0.8
80.06251	1.2
81.03023	0.5
81.03402	27.0
81.07042	45.7
82.04176	3.6
83.01329	1.8
83.04969	19.6
83.08604	23.8
84.02106	1.8
84.05738	1.0
85.02892	16.4
85.06525	3.5
86.09692	3.3
87.04460	6.7
88.07619	1.0
91.03934	2.1
91.05465	32.3
91.06043	1.6
93.07030	24.7
95.04955	17.8
95.08590	20.1
96.05714	1.0
97.02876	9.7
97.06517	10.7
97.10152	31.0
98.07324	5.0
99.04444	2.3
99.08075	2.4
101.06003	1.3
103.03912	1.2
103.05429	0.9
105.04497	0.8
105.07016	14.9
107.04933	8.0
107.08575	25.9
109.02869	2.2
109.06504	7.8
109.10138	67.2
111.04436	5.7
111.08066	8.2
113.06011	1.4
116.04691	11.0
117.06997	6.8
119.07735	1.2
119.08563	17.6
119.87471	0.7
121.06485	3.6
121.10108	9.6
123.04398	1.0
123.08043	5.5
123.11628	1.2
124.57183	0.8
125.05966	1.1
125.09612	33.3
127.03934	1.9
127.11185	2.3
129.05455	29.2
129.06871	4.3
130.45969	0.8
131.08548	8.8
133.06499	0.8
133.10107	7.0
135.08022	4.1
135.11678	8.5
137.09599	6.0
139.11186	1.1
143.07018	6.9
143.08492	0.9
143.09654	0.8
143.10658	4.5
145.10106	10.0
147.08017	2.3
147.11656	7.0
149.02330	1.7
149.08498	0.8
149.09518	3.9
149.13255	1.7
151.11165	1.4
153.09090	1.7
153.12717	5.1
155.08499	1.7
155.10651	4.2
155.13486	0.9
157.08591	12.9
157.10081	3.6
158.05769	1.6
163.11153	16.0
165.09087	1.3
165.12711	1.0
171.06480	1.8
171.10123	4.4
173.04498	0.9
173.09572	3.7
173.11716	24.0
175.11211	4.2
181.12210	3.0
184.07268	7.2
185.08061	1.2
185.11678	1.5
189.11188	6.7
191.10675	5.4
193.12202	7.8
199.09607	1.4
199.13249	16.7
200.14018	1.7
201.14905	1.2
209.11676	12.3
210.12483	1.4
211.13321	4.2
213.11224	0.8
217.14316	3.8
227.12749	15.2
228.23175	1.4
229.14316	49.1
245.14096	1.0
255.15894	2.9
257.13797	2.3
265.14301	1.4
267.15906	10.0
269.17435	3.1
283.15347	14.3
283.18637	1.1
284.16254	1.0
285.16940	0.8
291.19461	1.1
292.19760	0.8
301.16409	58.9
302.16644	1.6
311.18445	1.3
311.91949	0.9
316.42856	0.8
318.85791	0.8
353.23172	1.9
371.24228	6.0
381.22784	1.0
383.24188	10.2
399.23730	15.2
421.25864	3.1
423.27228	3.5
425.25336	1.6
437.25253	2.2
438.26053	2.9
439.26779	1.2
443.26187	1.6
455.26367	18.3
463.30414	1.9
500.89453	1.0
509.27301	2.7
527.28369	8.6
541.33771	6.4
543.36499	1.1
545.29449	3.2
553.33527	8.0
561.37677	1.0
607.34436	1.7
625.35742	15.1
740.60956	0.9
822.37030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	7.4
67.05502	26.8
69.07067	12.1
71.80868	6.7
77.52122	4.6
79.05477	17.7
81.07029	28.7
81.08973	4.8
86.09695	20.8
91.05465	11.3
93.07032	12.5
95.08582	15.2
103.78553	5.0
107.08586	15.1
109.10136	14.8
117.06971	7.2
119.08571	10.0
121.10114	10.8
130.50089	6.0
131.08537	8.1
133.10141	11.0
135.11681	11.4
159.11652	6.4
165.05424	5.8
184.07324	58.9
219.10098	5.4
237.11226	12.2
243.21013	7.4
259.20480	7.6
261.22116	21.1
330.33563	5.8
335.25742	100.0
335.29724	5.6
336.26114	16.2
337.27298	9.7
359.21835	8.3
398.83444	5.7
595.47119	10.6
613.48181	8.2
776.64282	5.5
844.11560	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	820.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.5
57.07051	1.4
59.04972	1.7
60.08133	0.7
61.02894	1.1
65.03928	2.0
66.99567	0.6
67.05495	37.5
68.26291	0.6
69.03419	5.6
69.06738	0.9
69.07056	10.3
69.75470	2.3
69.75899	3.9
71.04974	1.4
71.08572	0.7
79.05481	35.7
81.03417	1.5
81.07042	32.4
83.04951	3.8
83.08607	21.9
85.02894	0.8
85.06519	1.9
86.09695	3.9
87.04453	0.8
91.05466	33.8
91.06042	1.7
93.07027	28.4
95.04940	2.8
95.08005	1.3
95.08588	17.2
97.06473	1.5
97.10152	53.8
101.09655	1.3
103.05397	1.4
105.04435	0.9
105.07014	11.9
107.04928	1.7
107.08575	28.9
109.06483	2.4
109.10125	10.6
111.08057	2.9
115.05427	3.8
117.07005	23.6
119.08560	55.3
121.06473	2.7
121.10120	7.7
123.11687	1.6
125.00002	2.8
125.09611	45.5
128.06197	1.2
129.06955	2.3
131.08531	7.7
133.10097	4.9
135.08020	9.2
135.11646	5.8
137.09563	1.0
141.06929	1.5
142.07758	1.3
142.25685	0.8
143.08553	6.3
143.10645	1.6
144.05574	0.7
145.06448	22.3
145.10088	6.9
147.04343	0.8
147.08032	2.8
147.11655	2.5
148.03575	0.8
149.09546	0.8
149.13229	2.6
153.09117	5.2
155.08549	4.0
157.10110	4.6
159.08020	7.9
159.11670	3.5
161.09590	1.6
161.13268	1.0
163.07469	2.0
163.14760	1.8
167.08545	0.7
169.10086	3.0
171.07990	1.4
171.10133	3.0
171.11499	1.2
173.09641	2.3
173.11853	0.8
173.13234	3.0
175.11183	1.0
183.11642	1.6
184.07324	14.0
185.09448	1.2
185.13165	1.0
187.11160	1.2
187.14803	1.5
189.11182	37.2
190.47604	0.8
193.10014	1.1
209.13260	0.8
211.14825	1.1
215.14378	0.8
225.16307	2.1
227.12744	100.0
228.13080	1.1
235.14691	0.9
243.17351	2.5
243.21054	2.3
245.13675	1.0
253.15869	2.4
261.22101	14.1
271.16888	56.8
272.17371	1.0
273.18329	0.8
289.17935	12.9
317.24738	1.6
327.19208	1.1
335.25745	29.4
345.20563	11.4
349.23550	0.9
363.21625	22.2
413.30386	0.8
480.86456	0.8
487.34152	5.7
505.35254	11.9
506.35220	0.8
605.41931	26.2
606.41504	0.8
623.42944	57.8
624.43060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.4
57.07053	3.4
59.04984	1.8
60.08145	0.9
65.03915	3.1
67.05492	66.8
68.05832	1.1
69.03416	8.3
69.06698	1.2
69.07058	19.3
69.16598	0.9
69.75484	6.6
71.04953	2.3
71.08598	1.2
79.05479	56.0
81.03393	2.3
81.07043	55.5
83.04970	6.7
83.08105	1.8
83.08602	35.3
85.02881	1.9
85.06523	3.3
85.98097	0.9
86.09685	7.3
91.05463	56.4
91.56203	0.9
93.07026	56.0
95.04942	5.4
95.08590	34.7
97.02879	1.7
97.06511	4.2
97.10152	76.2
101.09642	1.8
103.05423	1.9
105.04526	1.7
105.07009	21.0
107.04935	4.6
107.08575	45.9
109.06508	5.3
109.10138	19.4
111.08043	3.3
115.05407	5.3
117.06997	34.0
119.08557	76.8
121.06493	3.6
121.10118	18.7
123.08032	1.7
123.11658	3.5
124.99970	5.6
125.09608	62.8
126.09862	1.0
128.06161	1.7
128.25674	1.0
129.06973	4.6
131.08542	17.3
133.06456	1.8
133.10110	9.4
135.08038	13.1
135.11684	10.9
137.09613	1.5
137.56039	1.0
141.06934	1.8
142.07761	1.8
143.08546	8.8
143.10611	3.3
145.06465	29.9
145.10114	10.2
147.08018	4.4
147.11646	7.0
149.09593	1.3
149.13194	5.8
153.09099	5.0
155.08528	4.9
157.10094	4.5
159.08014	13.6
159.11650	5.1
161.09576	3.4
161.13264	4.7
163.07515	3.4
163.14775	3.3
169.10078	3.3
171.08046	1.4
171.10146	4.3
171.11531	1.4
172.08362	1.1
173.09575	3.8
173.13219	5.3
175.14719	1.2
183.11664	2.8
184.07327	23.3
185.09630	1.5
187.14789	2.8
189.11188	44.9
192.31918	1.1
197.09492	1.2
197.13173	1.5
215.14284	2.2
225.16286	2.0
227.12737	86.7
235.14883	1.2
243.17532	4.9
243.20976	6.4
245.13756	2.5
246.04868	1.0
253.15915	5.3
261.22098	25.5
271.16891	64.9
280.17612	1.0
289.17905	18.2
317.24677	4.4
335.25723	78.0
336.26324	1.9
345.20560	18.2
363.21625	28.9
413.30139	1.3
431.31650	2.0
487.34210	8.4
505.35172	52.1
506.35431	2.6
605.41901	46.7
606.41290	1.4
623.42932	100.0
624.43384	3.4
693.95239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	21.2
57.07054	2.0
59.04998	3.8
61.02922	2.3
63.13565	1.1
65.03930	6.0
67.05495	92.0
68.05811	1.9
69.03421	11.0
69.07057	42.6
69.45094	9.5
69.45517	5.8
71.01340	3.7
71.04982	12.4
71.08621	1.3
71.65184	1.1
73.02889	2.1
77.05844	1.3
79.05486	63.2
80.05830	1.7
81.03407	57.2
81.07044	74.2
82.07360	2.2
82.37879	1.4
83.01332	6.0
83.04971	24.8
83.08613	29.3
84.71818	1.3
85.02902	8.6
85.06535	6.3
86.09698	3.8
87.04436	2.0
91.05469	63.1
92.05781	1.9
93.07034	64.8
95.01337	2.0
95.04958	43.2
95.08596	41.9
97.02877	11.4
97.06510	19.8
97.10145	10.5
99.04453	3.8
99.08092	4.4
103.05458	3.5
105.07015	46.6
107.04937	27.8
107.08578	40.4
108.05730	1.8
109.02883	4.0
109.06503	22.2
109.10147	36.6
110.10468	1.5
111.04453	7.3
111.08072	11.5
113.05984	2.6
113.09663	1.6
115.05448	2.7
117.07016	22.2
119.04911	3.3
119.08569	36.5
121.06496	10.0
121.10131	21.5
122.07269	5.9
123.04405	4.6
123.08047	12.3
123.11700	4.4
124.99995	2.4
125.06015	1.8
125.09614	8.0
127.03902	4.6
128.06224	3.0
129.05472	4.3
129.06970	12.5
130.07800	1.6
131.08554	24.5
132.08830	1.4
133.06456	9.9
133.10115	22.2
135.04381	2.3
135.08043	10.1
135.11670	17.4
137.09644	12.1
139.03882	1.6
139.07506	1.4
139.11169	2.1
141.06917	2.5
142.07729	3.8
143.08539	7.2
145.06488	7.2
145.10115	25.8
147.08046	12.8
147.11684	11.5
149.09601	14.9
149.13252	7.2
151.07516	2.6
151.11208	4.7
153.12738	2.4
155.08531	4.1
157.10135	9.0
159.08076	2.7
159.11674	11.9
161.09587	10.6
161.13232	4.0
163.11171	28.3
165.09111	3.6
165.12714	2.4
169.10101	2.5
171.11682	5.1
173.04443	3.7
173.09621	5.4
173.11739	9.2
173.13239	5.6
175.11151	9.2
175.14948	1.7
177.12711	6.7
179.14359	2.0
181.10014	1.8
181.12260	5.4
183.11659	2.6
184.07329	10.0
185.13159	2.6
187.11154	4.3
187.14830	1.9
189.11270	3.4
189.12791	2.3
191.10678	3.0
193.12250	13.0
195.13812	2.8
197.13335	3.2
201.12746	2.2
205.15886	1.9
207.13802	1.9
209.11641	6.8
211.13309	4.8
215.14326	2.5
221.15401	1.4
223.13261	1.8
227.12761	14.3
227.17920	2.3
229.14351	12.3
230.01042	1.5
233.15344	6.0
237.11203	1.6
239.18230	1.4
241.24760	1.9
247.20415	1.8
249.14796	2.5
257.19138	3.9
261.14777	1.7
261.18506	2.7
267.15900	50.6
269.17471	6.1
270.17996	1.4
273.18735	7.1
275.19995	15.6
277.21594	1.6
279.16003	2.7
283.15372	48.7
289.17914	6.0
290.18765	4.5
291.19614	7.7
293.21097	1.9
299.14853	2.8
307.19006	2.8
323.18997	1.6
325.20306	1.8
335.18851	1.4
347.22147	1.9
349.23718	20.1
351.25095	2.3
363.21555	2.5
363.87704	1.6
365.23041	3.0
373.18771	3.5
379.21140	4.1
381.22662	14.9
424.27686	1.9
425.25360	1.6
437.25330	57.9
447.27386	2.4
451.26434	2.4
459.27576	2.6
461.29083	8.4
477.28506	34.6
478.28470	1.5
493.27740	2.9
496.30237	1.6
499.30576	1.5
515.29718	5.0
539.33533	4.3
541.35315	3.5
543.36481	2.5
555.33319	4.7
557.34711	30.6
559.36346	3.9
573.34174	100.0
574.34290	3.9
575.36188	6.6
581.29456	2.1
586.31555	2.4
589.37122	4.9
591.34979	3.1
621.32526	1.6
625.43909	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	818.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.7
60.08150	6.0
62.08597	2.6
65.20599	2.6
66.34768	2.6
67.05499	35.5
69.07052	9.6
70.12621	14.0
71.08614	2.4
73.40061	2.5
79.05499	17.8
81.07047	33.1
83.08622	4.4
85.02898	2.7
86.09707	21.2
91.05461	9.2
91.76901	2.9
93.07021	21.8
95.08614	21.5
104.10795	2.6
105.07031	12.4
107.08585	17.0
109.10132	13.4
117.07005	4.1
119.08558	10.7
121.10156	16.2
123.11713	3.9
124.99994	20.0
131.08577	3.7
133.10147	10.5
135.11667	10.2
145.10089	4.7
147.11665	5.2
149.13249	7.8
153.04944	2.3
159.11687	9.1
161.13290	7.2
163.14841	6.0
163.20979	2.5
172.95927	3.0
173.13156	5.8
177.16443	2.6
181.98375	2.7
184.07332	91.4
197.46294	2.6
203.49646	2.4
219.81898	2.7
241.19408	3.2
243.20988	4.8
259.20560	7.2
261.22116	18.9
297.97501	2.4
317.86398	2.9
333.24280	6.2
335.25763	100.0
335.29788	5.7
336.26102	3.6
337.27252	10.0
521.42706	3.6
595.47241	18.0
613.48328	13.5
772.61804	3.0
818.58038	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	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03159	1.0
57.03428	15.7
57.07061	2.7
58.15550	0.7
59.04985	2.1
61.02907	2.1
61.40884	0.7
65.03934	3.4
67.05495	56.7
69.03041	1.7
69.03419	35.5
69.07063	9.9
71.01352	3.7
71.04984	8.9
71.66438	0.7
71.81357	0.9
73.02905	13.1
73.55271	0.7
77.03933	0.7
79.05485	31.8
80.06298	0.9
81.03407	100.0
81.07043	33.2
82.03738	1.1
83.01360	0.9
83.04970	23.1
83.08609	18.4
83.09076	0.5
84.04506	1.2
85.02897	35.4
85.06546	2.9
87.04462	1.3
88.82032	0.7
91.03925	0.8
91.05470	30.5
93.07032	21.4
95.04956	29.4
95.05570	0.9
95.08595	13.0
97.02882	31.1
97.06528	5.8
97.10155	10.1
99.04446	8.3
99.08096	1.7
101.02377	3.0
103.03963	1.5
103.05460	0.9
105.04530	1.1
105.07014	20.0
105.74165	0.7
107.04937	17.2
107.08588	12.4
109.02859	16.7
109.06500	5.8
109.10142	31.2
111.04432	13.6
111.08067	8.6
113.02396	1.3
113.06019	1.4
115.03915	2.6
115.05435	1.7
117.05468	1.1
117.07005	4.7
119.04929	1.3
119.08567	17.7
121.02866	2.0
121.06484	5.1
121.10132	10.7
123.04433	6.8
123.07990	3.9
123.11714	2.5
125.02351	1.7
125.05968	1.4
125.09602	8.3
127.03893	18.9
127.11237	0.8
128.06207	0.9
129.05469	6.1
129.06966	10.2
131.03386	3.3
131.04941	1.8
131.08553	14.1
131.09460	1.3
133.06493	3.4
133.10114	9.9
135.04428	8.6
135.08072	2.1
135.11693	4.2
137.05960	2.4
137.09607	3.2
139.03914	2.3
139.11188	0.8
141.07040	1.6
142.07779	1.5
143.08563	3.2
145.04987	3.0
145.06459	2.3
145.10092	7.1
147.04408	1.6
147.07999	3.7
147.11661	13.0
149.05998	1.4
149.09590	6.9
149.10616	0.8
151.03915	2.0
151.07593	0.9
151.11159	1.2
153.05441	4.0
153.09105	1.1
153.12762	2.6
155.08624	1.6
155.10663	1.7
157.06487	1.0
157.08737	1.1
157.10098	10.8
159.08119	1.2
159.11713	1.1
161.06032	2.1
161.09619	1.7
163.03922	1.5
163.11180	7.2
165.05559	1.5
165.12776	3.4
167.07086	1.2
171.06525	1.7
171.08043	0.9
171.11736	1.3
173.04475	13.2
173.05943	1.2
173.09613	2.0
173.11798	8.3
173.13251	1.4
175.07634	1.0
175.11166	11.8
177.05501	1.0
181.04926	2.4
181.12199	2.5
187.11259	1.6
187.56551	0.8
189.05513	1.0
189.11246	4.2
189.12758	1.1
191.07039	0.9
191.10646	3.6
193.12213	30.9
194.12662	1.2
199.06039	5.7
199.07642	0.9
199.13283	1.7
200.14047	0.9
201.05554	0.9
201.12933	0.9
201.14737	1.0
205.12154	1.4
207.13809	1.0
209.11667	5.8
211.13266	40.2
212.13742	1.3
217.05077	1.3
217.06958	4.7
217.12404	0.8
217.14442	1.0
223.13220	1.0
227.12694	8.8
229.14323	15.6
231.13954	1.3
235.13284	1.1
247.13374	1.9
249.14940	1.5
253.07129	1.1
259.13470	0.8
265.14273	1.1
267.15891	20.0
273.14877	1.8
277.14517	1.2
281.17502	0.8
283.15433	5.6
285.16922	17.3
289.14230	1.2
291.15704	0.8
299.15045	2.5
301.16986	1.7
307.15543	0.9
309.16934	1.5
319.15390	1.5
337.16510	2.8
353.16080	1.5
355.17566	3.3
373.18469	6.0
375.18173	1.1
376.16168	0.7
383.22235	1.2
393.19113	1.6
403.25000	1.6
409.25543	1.5
411.20175	2.9
421.25888	14.1
427.19452	1.7
427.27551	0.9
429.21109	3.1
439.26913	30.6
440.27167	1.1
445.20923	1.0
457.25989	1.5
459.27213	1.6
473.29205	1.2
475.26843	10.6
476.27927	1.3
477.28290	1.5
493.28116	8.8
511.28970	1.8
517.28192	1.5
529.27814	1.6
547.29456	1.5
565.30035	4.0
583.31049	17.3
601.30353	1.3
619.30963	2.2
637.32019	7.0
638.32104	1.4
655.33234	3.4
799.36829	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	816.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06620	0.4
60.08154	6.3
61.61101	0.1
67.05489	0.3
69.07054	0.1
70.06599	0.1
71.07359	2.9
75.20149	0.1
79.05479	0.1
81.03413	0.1
81.07043	0.4
83.47207	0.1
86.09690	29.6
87.10017	0.7
91.05444	0.2
93.07021	0.2
94.21172	0.1
95.04929	0.1
95.08590	0.2
98.98449	2.8
104.10722	2.8
105.11088	0.1
113.45737	0.1
123.08027	0.1
124.99982	20.1
126.00346	0.2
133.10056	0.1
135.11780	0.1
143.01024	0.3
166.02650	0.3
184.07314	100.0
185.07661	2.0
186.07791	0.4
223.09421	0.1
223.37878	0.1
266.04538	0.1
286.38043	0.1
308.17877	0.1
551.06543	0.1
716.48541	1.0
798.55585	0.5
816.57330	2.3
817.56934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06339	0.2
58.06618	0.3
59.07367	0.2
60.08154	5.8
60.11060	0.1
64.41158	0.1
67.05496	0.1
70.06600	0.1
71.07362	2.9
71.08629	0.1
71.29579	0.2
71.29907	0.1
81.07020	0.2
86.09692	28.7
86.75454	0.1
87.10010	0.2
98.98451	3.0
104.10731	2.3
104.11387	0.2
116.99408	0.1
124.99986	18.4
125.48374	0.1
143.01033	0.3
166.02652	0.3
184.07317	100.0
185.07657	0.7
335.99234	0.1
544.06372	0.1
674.43298	0.2
714.46942	1.3
778.52380	0.1
796.54523	0.7
814.41986	0.1
814.55792	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	814.558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34933	0.2
58.06623	0.4
60.08158	6.5
67.05496	0.1
69.07059	0.2
71.07365	3.1
71.82256	0.2
75.33240	0.1
79.05470	0.2
80.10068	0.1
81.07051	0.2
86.09698	32.5
87.10032	0.2
91.05485	0.2
93.07040	0.3
95.08602	0.2
98.98454	3.4
104.10728	2.2
106.32322	0.1
107.08616	0.1
124.99992	21.5
130.05202	0.1
139.16528	0.1
143.01065	0.5
146.08090	0.2
146.18979	0.1
166.02655	0.3
184.07326	100.0
185.07629	0.6
778.53760	8.6
779.53467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65408	0.1
58.06345	0.2
58.06613	0.4
59.07371	0.1
60.08154	5.7
66.93759	0.2
67.05499	0.3
71.06990	0.2
71.07360	2.9
81.07051	0.4
86.09692	29.8
87.10017	0.3
89.48231	0.1
91.05484	0.2
93.06998	0.2
98.20685	0.3
98.98452	2.9
99.05439	0.1
104.10724	2.3
109.10130	0.2
124.99983	19.3
143.01024	0.3
146.08038	0.1
161.09566	0.1
166.02686	0.2
184.07314	100.0
185.07697	1.0
229.88148	0.2
241.37025	0.2
273.30750	0.2
552.43707	0.2
794.52924	0.2
812.54144	4.9
813.55768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65408	0.1
58.06345	0.2
58.06613	0.4
59.07371	0.1
60.08154	5.7
66.93759	0.2
67.05499	0.3
71.06990	0.2
71.07360	2.9
81.07051	0.4
86.09692	29.8
87.10017	0.3
89.48231	0.1
91.05484	0.2
93.06998	0.2
98.20685	0.3
98.98452	2.9
99.05439	0.1
104.10724	2.3
109.10130	0.2
124.99983	19.3
143.01024	0.3
146.08038	0.1
161.09566	0.1
166.02686	0.2
184.07314	100.0
185.07697	1.0
229.88148	0.2
241.37025	0.2
273.30750	0.2
552.43707	0.2
794.52924	0.2
812.54144	4.9
813.55768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.7
59.05002	0.9
60.08149	2.5
61.02914	5.4
65.03935	0.6
65.74982	0.3
67.05490	7.6
69.03416	4.3
69.07056	3.0
71.01332	0.5
71.04977	1.7
71.07356	1.2
71.77956	0.6
73.02902	3.7
79.05478	8.4
81.03406	5.9
81.07042	8.3
83.04963	1.8
83.08621	2.1
85.02892	6.1
85.06563	0.4
86.09691	12.3
87.04475	0.9
87.10017	2.0
91.03937	3.0
91.05469	8.2
93.07025	6.9
95.04951	3.4
95.08600	3.7
97.02876	5.2
97.06535	1.9
97.10152	0.7
98.98427	0.5
99.04431	1.4
101.02364	1.7
103.03926	0.9
104.10744	1.5
105.07015	5.4
107.04949	2.0
107.08585	4.0
109.02853	1.7
109.06521	1.3
109.10133	1.0
111.08095	0.8
115.05470	0.6
117.07029	1.5
119.08552	3.8
121.06484	1.0
121.10108	3.1
123.08070	1.0
123.11731	0.5
124.99988	8.0
125.09603	0.4
126.00312	0.4
127.03899	1.6
129.05495	0.5
129.06990	2.4
131.04901	0.4
131.08543	3.0
133.06464	0.5
133.10114	3.0
135.11697	1.3
137.09586	0.5
142.07681	0.4
143.08574	1.0
145.04955	0.5
145.10132	1.7
147.11655	3.1
149.09593	2.7
155.08519	0.7
157.10152	1.7
159.11725	0.8
163.11183	0.4
171.11710	1.3
173.04503	0.6
175.11168	1.8
184.07310	45.8
185.04228	0.6
185.07671	6.0
185.09300	0.5
189.12741	0.5
193.12227	2.2
197.15454	0.7
200.52696	0.4
203.05292	0.9
207.13858	1.5
225.14871	0.5
243.08362	4.1
243.10425	0.5
259.07764	0.5
267.15979	1.2
275.20010	0.4
281.17352	2.7
283.06073	0.5
283.15091	4.9
333.20325	3.9
339.17917	1.4
389.22995	0.9
439.19559	2.3
453.21085	1.6
469.20499	1.4
487.30655	3.5
501.22977	17.6
551.28162	10.0
552.28583	0.7
567.33350	0.7
631.34558	0.9
761.44098	1.9
811.44379	100.0
812.44727	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	810.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57472	0.7
62.97318	0.7
65.03939	1.7
67.05496	2.5
69.03422	2.8
71.01639	1.9
71.01967	0.9
77.03893	1.1
79.05500	4.2
80.04987	1.4
81.03405	3.4
81.07053	2.0
82.06577	1.9
85.02910	1.3
86.06027	1.0
88.76150	0.9
91.05468	5.1
93.05778	1.7
93.07031	8.5
94.06567	11.3
95.04961	4.3
95.07357	6.2
96.08128	17.0
97.02882	6.8
97.06514	1.2
97.20538	1.1
97.98813	0.8
103.05456	2.2
105.07063	1.6
106.06554	2.0
107.07312	1.4
108.04462	4.4
108.08105	23.0
108.08814	1.6
109.08899	1.1
110.09669	25.6
111.04413	1.2
115.05421	1.3
116.04974	3.4
117.06961	0.8
118.06501	1.8
119.04916	2.0
120.04455	13.5
120.08093	24.2
121.06503	1.4
121.10078	1.0
122.06021	6.5
122.09676	5.2
123.04414	18.5
124.07581	8.8
126.09127	1.2
128.08905	0.9
129.06961	1.7
130.06577	0.9
131.04918	1.0
132.04451	0.8
132.08055	1.6
134.06021	3.5
134.09598	1.0
135.04411	1.4
136.06503	1.4
136.07562	13.8
137.02269	1.0
137.05937	4.0
138.05534	1.8
138.09125	67.0
139.03839	4.0
143.04895	0.9
144.04433	4.6
144.08058	1.9
146.05986	16.1
147.04387	5.0
148.07529	7.0
149.05956	1.9
149.09689	0.8
150.05472	1.1
150.09119	1.6
151.03928	7.7
152.07034	2.8
158.06042	1.1
160.03915	5.7
160.07594	1.7
161.05965	2.8
162.05495	4.8
163.03905	2.8
163.07498	1.3
164.07056	2.6
165.05492	1.3
166.08620	20.6
167.07065	8.6
172.03909	16.2
172.07588	2.5
173.05939	0.9
174.05432	5.5
175.03879	0.9
175.07529	1.0
176.07051	4.8
177.05444	15.3
178.05006	2.5
178.08592	3.7
179.03300	0.9
179.06999	1.2
181.04926	2.0
184.07582	1.5
186.05502	2.9
188.07083	3.2
189.05453	2.1
190.04973	30.1
191.06987	1.0
192.06534	1.2
192.10225	1.8
198.05423	1.2
198.11516	1.3
200.06970	1.8
204.06544	9.9
206.08081	1.3
207.06505	1.3
209.10725	1.7
211.12289	0.9
212.07083	1.7
212.09395	1.2
213.10179	1.1
214.08641	2.9
216.06473	1.9
218.08115	1.2
221.10750	1.5
222.07500	4.1
223.12303	1.0
224.07138	1.3
224.09367	1.0
225.10246	1.9
225.13992	0.9
226.08510	1.0
226.10658	0.8
227.11682	5.3
228.06522	1.5
230.08124	2.2
232.05980	1.6
233.10727	1.2
235.09402	1.6
235.12329	0.9
236.09404	2.8
237.10168	5.9
238.10970	1.5
239.11745	3.8
240.06517	3.2
242.08144	8.3
244.05945	1.0
244.09688	1.3
245.12860	4.5
246.11499	1.0
247.08691	2.6
248.09354	1.9
249.10201	10.9
250.07024	1.2
250.11035	4.3
251.08156	1.6
251.11720	8.7
252.08856	1.2
253.09746	2.4
254.08040	2.5
255.11264	2.9
256.09674	1.6
257.12781	1.2
258.07571	4.0
259.12219	1.0
261.10245	6.9
262.10971	3.7
263.08060	2.0
263.11758	9.3
264.08908	2.2
265.09705	5.7
265.13412	1.2
266.08044	2.2
266.10608	1.9
267.11258	3.1
267.15982	1.2
268.06082	1.2
271.10751	1.8
273.12375	5.7
274.10733	2.2
275.08142	2.7
275.11786	4.7
276.08908	1.6
276.12454	1.5
277.09756	15.6
277.13150	2.6
278.10425	3.5
279.11288	16.4
280.11862	1.5
281.09143	0.9
281.12866	1.3
283.05984	2.0
283.10791	1.0
284.09055	6.1
284.11725	0.8
285.07294	1.1
285.12314	1.2
286.07047	5.9
286.10522	1.6
287.11795	2.5
288.08917	1.1
288.12253	1.4
289.09656	8.5
289.12973	1.3
290.10458	3.3
291.11206	9.6
292.11893	1.2
293.09357	1.9
293.12811	2.7
295.10870	4.0
296.08963	1.3
297.12286	8.3
298.07101	1.8
300.08618	4.2
300.12128	1.0
301.13324	1.4
302.10129	4.6
303.04855	2.6
303.08423	2.1
303.11389	4.6
304.08691	0.9
304.12100	1.5
305.09140	7.1
305.12775	3.0
307.10809	4.0
308.11624	1.1
309.12302	5.4
312.08652	1.6
313.12015	1.0
314.10309	2.1
315.11285	3.5
317.09171	5.4
317.12842	2.6
318.09921	1.6
319.10858	5.9
321.12289	1.5
323.10248	9.0
325.11768	5.4
327.11093	1.4
329.09879	3.4
329.12897	3.3
331.10715	3.0
331.14389	1.2
333.12238	2.6
335.10168	5.5
336.11093	1.9
337.11758	3.2
339.11227	1.7
341.12210	1.2
343.10715	3.3
345.08566	1.1
345.12299	2.6
347.10132	1.1
347.13864	1.1
349.11728	2.5
351.13568	1.4
353.12988	1.2
353.34595	1.0
355.12988	2.3
357.12375	4.8
359.10181	2.6
359.14047	2.0
361.11774	2.6
365.11148	1.5
367.13162	1.2
369.12198	1.9
370.09537	1.3
371.10184	2.5
371.14221	1.8
372.11108	1.9
373.11795	2.7
375.13348	2.8
377.11041	2.0
381.12393	5.2
383.09894	1.1
384.10889	1.2
385.11951	6.5
386.12558	1.9
387.13373	5.3
391.12857	1.0
399.13422	9.6
400.10294	1.1
401.15253	2.0
403.12830	3.7
409.11819	1.2
411.13501	2.1
413.11108	10.3
414.11633	1.4
415.12976	3.4
417.14392	2.6
418.12897	1.4
419.12146	1.7
420.10721	2.6
427.12875	7.3
429.14490	7.3
431.12418	4.5
433.13873	1.9
436.13577	4.0
437.11188	1.3
438.11664	1.3
445.13928	25.0
446.14291	2.0
451.15256	1.2
454.14874	3.2
455.12314	11.9
457.14017	1.8
459.20050	2.4
459.26840	1.0
460.18909	1.4
461.13489	3.3
463.15204	1.5
473.13486	16.0
474.13907	1.2
487.14700	1.0
488.18277	4.7
505.16092	17.3
506.16187	1.5
520.19684	1.1
530.19250	1.2
538.19257	1.4
551.75873	1.0
552.20776	1.2
553.91339	0.9
554.22546	2.9
565.15503	1.0
570.22070	2.8
579.17090	1.1
580.20441	2.1
580.34546	2.3
581.19287	1.8
595.16919	2.5
598.21832	96.1
599.22107	6.0
607.16821	2.5
608.19824	4.6
613.17737	3.4
616.22729	5.7
625.17957	2.9
626.21259	33.2
627.21600	1.4
630.24420	100.0
631.24854	7.7
638.21234	2.7
640.22449	1.4
658.23773	4.5
734.26990	5.5
742.39221	2.2
750.26874	1.1
760.24872	26.6
761.24640	2.1
778.25970	74.3
779.26282	6.5
792.27295	1.4
810.27887	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	808.556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	16.1
57.07069	6.4
58.59818	1.3
61.02914	2.7
65.03932	4.5
67.05495	100.0
69.03413	1.9
69.07056	27.1
69.55214	3.1
69.55621	11.6
71.04979	3.7
71.08637	1.8
74.09714	1.5
77.03923	1.3
79.05483	80.4
81.03400	1.8
81.07045	84.3
83.04976	3.9
83.08609	13.8
84.16484	1.3
85.02885	5.1
85.06514	3.6
86.09671	2.4
89.85883	1.3
90.29086	1.2
91.03965	1.8
91.05468	67.6
91.06042	3.3
93.07032	89.5
95.04940	10.3
95.08591	66.8
97.02859	2.2
97.06509	5.2
97.10149	4.9
99.08062	2.8
103.05479	2.6
105.07013	68.3
106.07409	1.3
107.04935	1.4
107.08578	49.2
109.06503	3.9
109.10146	27.5
111.08064	3.4
111.11655	1.6
117.07010	22.0
119.08563	61.6
121.10126	40.9
123.08026	3.1
123.11708	8.4
124.99974	3.0
125.09596	2.1
128.06265	2.0
129.07001	15.6
130.07748	1.8
131.08557	30.3
133.10110	47.5
135.08083	1.6
135.11687	29.7
137.09637	2.1
137.13208	2.5
137.62216	1.4
142.07730	1.9
143.08537	11.8
145.10112	30.2
147.11667	38.4
149.09573	2.5
149.13234	15.1
154.03067	1.3
155.08542	3.8
157.10075	11.3
159.08160	1.7
159.11682	28.8
161.09529	1.5
161.13242	27.7
163.11174	2.5
163.14798	6.6
165.12753	1.7
169.10115	3.9
171.11664	14.1
173.13231	22.7
175.14760	12.1
177.12776	3.1
177.16382	2.4
183.11705	5.3
184.07335	9.2
185.13248	8.4
187.14809	7.5
189.12712	1.8
191.14308	2.7
195.11823	1.8
197.13248	2.1
199.14836	6.0
201.16364	2.8
213.16479	3.3
215.17905	2.8
231.21071	6.0
239.17906	3.3
241.19530	24.0
243.21078	4.3
253.93967	1.6
257.18973	9.1
259.20538	66.5
260.21088	2.5
261.22150	12.6
273.22156	1.5
277.21591	2.4
289.21558	2.1
315.23160	4.0
331.22690	3.6
333.24197	51.6
333.28064	2.9
334.24539	1.6
335.25763	87.7
336.25766	2.6
337.27383	5.3
339.23135	1.9
351.25336	2.9
357.23758	1.8
441.26376	2.1
489.35236	1.7
501.34961	2.0
503.37466	1.6
519.41827	7.1
537.42755	2.9
541.39142	2.4
593.45471	11.7
609.46967	1.3
611.46606	62.3
612.46985	3.1
701.47589	2.4
745.66339	1.6
768.94025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	21.5
57.07066	3.0
59.04996	4.2
60.08155	0.8
61.02919	5.5
65.03926	3.7
67.05495	100.0
68.05805	1.2
69.03417	10.7
69.07059	44.6
70.52747	3.0
71.01341	1.8
71.04975	9.3
73.02884	4.1
75.74323	0.7
77.03909	1.5
79.05482	59.8
80.05825	1.1
81.03407	61.1
81.07043	87.5
82.03743	1.5
82.04202	2.6
82.07371	1.5
83.04966	24.3
83.08610	32.3
85.02895	22.0
85.06522	6.2
85.84037	0.7
86.09692	3.8
87.04434	1.3
91.03955	1.5
91.05466	68.7
92.05825	1.8
93.07030	56.9
95.04955	36.1
95.08593	47.6
97.02874	7.7
97.06515	19.7
97.07085	1.4
97.10153	14.8
98.07325	2.5
99.04453	1.6
99.08062	3.7
101.06026	1.5
103.05449	2.4
105.04550	1.2
105.07015	52.4
107.04948	15.5
107.08576	37.9
107.09315	0.9
109.02885	1.8
109.06507	11.7
109.10142	37.0
111.04463	4.2
111.08068	14.6
113.06010	1.9
113.09653	1.7
115.05474	3.0
116.04697	6.2
116.06193	1.4
116.65715	0.8
117.06994	14.7
119.04977	1.4
119.08564	36.3
121.06490	6.5
121.10125	20.4
123.04436	1.3
123.08038	8.6
123.11692	4.8
124.99985	2.5
125.06029	1.2
125.09613	11.6
127.03920	1.2
127.07539	1.7
127.11200	0.9
128.06210	2.0
129.05481	16.6
129.06976	12.8
131.04858	0.9
131.08554	27.5
133.05583	0.9
133.06465	5.1
133.10110	30.2
135.08026	5.3
135.11662	9.9
137.09601	13.1
137.13226	0.8
139.11125	1.5
141.07034	1.6
142.07816	3.4
143.07068	2.8
143.08575	4.3
145.06496	1.6
145.10092	15.6
145.11203	1.1
146.10855	1.1
147.08044	4.3
147.11661	23.1
148.12192	0.8
149.09587	17.0
149.13237	9.2
151.11192	3.8
153.09102	1.5
153.12782	1.1
155.08577	3.2
155.10678	2.6
157.08652	6.8
157.10150	15.4
159.08022	1.9
159.11667	9.4
161.09647	2.1
161.13239	3.9
163.11157	11.0
165.09126	1.1
165.12715	4.0
169.10152	1.6
171.06534	1.7
171.10176	2.9
171.11685	3.1
173.09586	1.8
173.10194	1.1
173.11761	11.0
173.13258	4.1
175.11162	15.6
177.09052	0.8
177.12738	3.6
177.50877	0.9
179.14204	1.7
181.10077	1.1
181.12215	1.5
183.11766	1.7
184.07304	10.7
184.08647	1.0
185.11751	1.6
185.13297	1.8
187.11226	1.9
187.14967	1.3
189.11208	6.4
189.12715	1.3
191.10663	1.3
193.12210	38.5
195.11974	1.4
195.13882	3.3
197.13356	1.1
199.13310	2.9
199.14890	1.2
201.16432	1.0
209.11766	2.0
211.13261	41.9
213.14845	1.4
219.13860	1.3
223.13370	1.0
227.12758	8.0
229.14314	15.5
229.19511	2.2
233.15521	0.9
239.18088	1.8
247.20676	2.7
249.14981	1.1
253.14404	0.8
253.18008	0.8
255.15834	1.4
257.18970	4.6
259.15549	1.1
267.15887	20.3
269.17422	15.6
273.18628	3.4
274.19516	0.7
275.20020	27.3
275.23019	1.4
283.15445	4.5
285.16925	30.0
286.17230	0.9
291.19394	5.2
293.21017	4.4
301.16425	21.1
331.22995	1.0
347.22174	1.6
349.23676	22.8
349.27948	1.6
365.23312	3.2
367.24924	5.1
373.18585	2.0
381.22870	2.5
383.24582	1.7
393.26370	1.6
403.24756	1.0
411.27225	4.3
421.25766	8.4
423.27386	9.6
439.26871	30.4
440.27124	1.0
445.29538	1.0
447.27765	0.9
449.28970	1.2
453.28537	1.3
461.28824	5.8
463.30621	1.4
477.28461	4.0
478.29504	0.9
479.29941	11.9
495.29462	14.8
541.35162	11.1
557.34796	2.4
558.35498	1.3
559.36292	23.1
575.35736	13.8
577.37402	5.9
583.30933	1.6
591.84143	0.9
593.36804	12.0
809.38458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03160	1.2
57.03431	20.3
57.07062	2.9
59.04973	3.6
60.08160	2.3
61.02905	3.6
65.03918	5.4
67.05495	100.0
68.05821	2.0
69.03416	11.7
69.06684	1.8
69.07057	33.9
70.07401	1.0
71.01337	2.6
71.04980	9.8
71.07354	1.1
71.81030	2.1
73.02899	3.5
77.03860	1.4
79.05015	2.4
79.05482	59.3
81.03408	51.5
81.07045	82.1
83.04508	1.3
83.04971	16.6
83.08608	23.4
85.02888	13.7
85.06520	6.3
86.09691	13.8
87.04440	2.3
91.03921	1.7
91.05466	55.0
92.05805	1.3
93.07030	60.3
95.04954	27.7
95.08589	34.9
95.97301	0.9
97.02885	7.5
97.06516	15.8
97.10157	14.4
99.04431	3.2
99.08068	3.9
100.87900	1.0
103.05419	1.2
104.10690	1.7
105.04456	1.1
105.07017	35.5
106.07341	1.1
107.04937	11.7
107.08574	33.4
109.02839	2.4
109.06504	9.0
109.10142	46.6
111.04412	3.4
111.08057	8.2
113.05968	1.9
115.05409	3.3
117.06996	16.4
119.07726	2.1
119.08558	32.2
119.09402	1.7
121.06488	6.5
121.10129	23.5
121.16190	1.1
123.04407	2.3
123.08041	6.6
123.11674	4.3
124.99965	7.0
125.05972	1.6
125.09621	11.8
127.03880	3.0
129.05444	3.3
129.06992	9.7
130.07741	1.8
131.04930	2.1
131.08553	19.7
133.06488	4.0
133.10112	23.8
134.10521	1.1
135.08040	6.1
135.11668	20.2
137.09601	8.5
139.07451	1.0
139.11180	2.2
141.06973	2.1
142.07707	1.7
143.08519	3.8
143.10648	2.1
145.06477	2.9
145.10107	15.3
147.08017	4.6
147.11647	11.4
149.09598	14.9
149.13239	7.4
151.11157	4.8
153.09097	1.2
153.12718	2.1
155.08502	2.3
155.10609	2.3
157.10089	9.9
159.07961	1.5
159.11638	10.1
161.09621	2.6
161.13223	3.6
163.11166	13.4
165.12733	3.0
169.10068	1.7
171.11597	2.6
173.04428	2.2
173.09570	2.9
173.11702	12.1
173.13211	3.1
175.11162	7.1
177.12747	2.8
179.10693	1.6
179.14313	2.2
181.12210	3.3
183.11630	1.8
184.07332	43.8
185.09564	1.0
185.13211	2.3
187.11189	1.1
187.13171	1.2
189.11200	5.4
189.12732	2.1
191.10606	2.2
193.12206	19.8
195.13817	4.0
199.11537	1.1
199.13264	4.0
199.14888	1.4
201.12767	1.5
203.10838	1.1
209.11687	4.1
211.13194	6.5
213.14760	1.4
217.14314	1.2
219.13725	1.8
223.13251	1.4
227.12744	11.6
229.14325	35.8
231.13815	1.2
231.17374	1.2
243.15904	3.8
245.13739	3.2
247.20552	1.7
249.14803	2.7
255.15826	13.7
257.18973	3.3
259.20645	1.4
265.14316	1.1
267.15884	39.8
268.16266	2.1
269.17456	20.9
273.18494	1.8
275.20050	14.3
278.14789	1.5
283.15378	5.5
285.17090	6.6
291.19440	3.8
293.21173	1.4
301.16446	11.1
322.94540	1.1
329.21155	1.8
331.22482	1.4
347.21808	1.3
349.23706	16.5
365.23141	1.8
367.24774	1.8
383.24045	2.0
409.25800	7.2
411.27548	1.6
421.25778	8.4
423.27463	16.3
435.27350	3.2
439.26959	1.8
447.27432	9.9
448.22522	1.3
449.28949	8.5
459.27515	2.9
461.28757	3.9
477.28409	5.1
479.30029	3.8
495.29425	7.6
503.33511	4.8
513.30737	1.3
541.35242	11.6
557.34778	2.5
559.36353	4.7
561.37372	2.5
575.35400	3.4
593.36298	2.1
606.33142	1.5
611.37244	1.5
809.38202	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	807.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.8
58.67028	0.5
67.05500	1.0
69.07060	8.1
71.51949	1.3
81.07037	4.1
83.01318	3.0
85.07640	0.8
91.05454	1.7
93.07024	3.9
95.08585	1.1
96.56451	0.6
102.78493	0.6
105.06996	1.2
107.08585	5.2
109.02877	0.7
109.06495	1.6
109.10159	1.3
121.06516	2.9
121.10102	1.0
123.11681	15.3
127.03896	1.4
131.08580	1.2
134.07681	0.6
135.08073	3.5
135.11674	9.1
137.05949	2.1
144.16026	0.7
145.10063	0.6
149.05891	1.0
149.09619	3.5
151.07373	0.5
153.05449	6.1
159.08035	3.9
162.06741	3.3
163.07501	7.3
165.05455	89.7
166.05827	1.3
169.04971	1.3
173.09552	0.7
177.05478	1.0
177.09096	13.6
184.02478	0.7
184.07298	1.2
187.07532	4.4
191.06960	1.0
191.10474	0.8
193.08498	1.3
203.06998	1.6
205.08575	66.5
206.08900	0.9
207.10191	0.9
211.09602	2.3
219.10118	8.1
221.11699	47.7
222.12015	1.0
223.09622	100.0
224.09962	1.5
231.10260	0.7
237.11186	9.9
269.15555	0.6
273.14706	0.6
279.15927	1.3
287.16391	49.4
288.16788	1.8
289.14554	0.7
291.12622	1.3
291.15860	20.9
305.17410	12.8
325.21524	1.2
327.19592	1.3
343.18961	1.4
343.22577	4.3
345.20563	52.9
346.20834	0.9
357.20557	11.6
359.22058	4.3
363.21579	6.6
375.21524	0.9
393.80728	0.7
395.52441	0.6
413.26813	7.1
431.27835	1.8
809.41071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.6
57.07063	1.1
58.06591	0.5
59.07372	0.4
60.08145	1.5
65.03919	1.5
67.05496	29.6
69.03416	0.7
69.07058	16.0
69.59447	1.1
69.59847	4.1
71.04979	1.5
71.07347	0.9
77.40735	0.5
79.05483	21.0
81.03412	2.7
81.07046	37.4
82.07378	0.5
83.04958	3.2
83.08607	5.6
85.06522	1.2
86.09700	8.4
87.10011	0.5
91.05466	24.1
93.07029	28.2
95.01314	3.6
95.04951	5.9
95.08595	23.8
96.08966	0.6
97.06516	10.8
97.10159	1.5
99.08038	0.9
103.05466	0.8
104.10725	0.9
105.07014	32.4
107.04958	6.1
107.08575	13.8
109.06505	3.6
109.10135	7.9
111.08072	2.1
113.09667	0.8
115.83499	0.5
117.06998	6.6
119.08564	18.3
121.06477	1.6
121.10121	8.5
123.08059	2.0
123.11712	2.1
124.99968	5.6
125.09623	0.6
128.06163	0.6
129.06990	1.4
131.08557	12.1
133.06432	0.7
133.10104	18.2
135.08052	1.5
135.11665	5.3
137.09660	1.0
141.06979	0.6
141.93486	0.5
143.08562	1.4
145.10095	8.6
147.08002	0.5
147.11661	7.8
149.09595	2.6
149.13254	2.2
155.08597	0.7
157.10115	1.6
159.11673	5.2
159.70599	0.5
161.13231	3.1
163.11154	1.5
163.14874	0.7
165.05501	1.2
169.10152	0.6
173.13283	2.2
175.11169	0.6
175.14761	0.8
177.12746	0.7
179.14270	4.6
183.11578	0.7
184.07317	31.1
187.11218	1.3
187.14835	0.7
191.14211	0.6
197.13290	0.6
199.14682	0.5
219.10110	0.5
219.17383	10.0
229.19391	0.7
237.11200	0.8
239.18008	0.8
247.20497	0.7
257.18961	2.3
261.22061	1.1
275.20020	25.4
293.21124	1.8
317.24670	0.8
335.25766	54.2
336.26178	1.2
349.23703	15.1
495.60434	0.5
609.45056	100.0
610.45447	3.2
627.46179	0.6
772.55164	0.6
806.54980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40155	0.8
57.03431	17.5
57.07072	2.4
57.46840	0.8
59.04990	1.8
60.04530	1.1
61.02922	1.7
65.03924	2.9
65.91824	0.8
67.05496	56.1
67.39045	0.8
69.03420	7.2
69.07059	23.8
71.00528	2.7
71.04987	7.9
73.02901	1.1
79.05482	49.5
81.03407	71.2
81.07044	60.0
83.04975	12.3
83.08610	25.7
83.08995	0.6
85.02912	4.5
85.06519	5.1
86.09693	1.0
87.04491	1.0
91.05467	40.4
93.07033	45.5
95.04956	32.9
95.08596	25.5
97.02872	5.1
97.06524	11.9
97.10152	12.5
98.21343	1.0
99.04444	2.2
99.08051	2.2
103.79817	0.8
105.07016	35.7
107.04929	12.5
107.08580	33.5
109.02831	1.4
109.06506	8.0
109.10138	12.7
111.04429	2.5
111.08075	8.7
113.05949	0.9
115.05462	2.9
116.06168	1.3
117.06998	15.9
119.04952	1.5
119.08570	24.7
121.06482	7.0
121.10133	18.7
123.04460	1.3
123.08050	6.1
123.11682	5.0
125.09627	9.8
127.03922	1.0
128.06189	2.5
129.05470	2.2
129.06984	14.1
130.07782	1.1
131.04921	0.9
131.08554	22.1
133.06450	4.8
133.10110	21.0
135.08041	6.9
135.11691	12.8
137.09563	5.2
141.06993	2.0
142.07782	3.8
143.08580	7.7
144.90535	0.8
145.06418	4.9
145.10089	14.0
147.04327	1.0
147.08020	5.3
147.11670	12.6
149.09596	12.6
149.13229	8.0
151.11198	2.8
153.09096	1.2
153.12727	1.3
154.07745	1.0
155.08528	3.8
157.06499	1.4
157.10127	10.6
159.08031	1.9
159.11670	9.9
161.09616	3.4
161.13257	2.1
163.11162	7.6
165.12753	2.7
166.70641	1.1
167.08583	1.1
169.10107	3.2
171.10266	1.7
171.11688	4.8
173.04393	1.7
173.09587	2.0
173.11775	1.6
173.13254	4.3
175.11134	8.9
177.12753	4.3
179.08659	1.4
181.10133	2.4
181.12248	1.6
183.11682	3.4
184.07317	1.9
185.09554	1.1
185.13229	3.1
187.11272	2.2
189.11168	4.0
189.12677	1.5
191.10591	1.5
193.12210	20.2
195.11719	1.9
195.13791	2.3
197.13245	2.8
199.14879	1.9
201.12741	1.5
201.87396	0.8
203.14386	1.9
205.12294	2.1
207.13750	1.5
209.13269	1.3
211.13155	4.3
215.14380	1.1
217.15881	2.5
221.13226	1.1
223.13277	1.2
227.12737	9.5
228.76656	0.9
229.14279	4.7
229.19499	1.3
231.14073	1.1
239.14244	1.4
239.18011	2.1
247.20543	1.4
249.14824	2.0
251.16415	1.7
253.14117	2.0
255.15886	16.5
257.19031	4.9
259.20450	1.0
267.15881	74.2
268.16205	1.7
269.17447	25.0
273.14786	2.4
273.18484	3.5
275.20038	18.1
285.16901	2.1
291.19479	4.7
293.21054	2.9
301.16742	2.1
316.28519	1.3
319.15414	1.1
331.22552	1.8
341.25079	1.0
347.22174	1.1
349.23657	20.6
351.23077	2.0
365.23334	1.6
367.24902	6.5
369.24081	3.6
387.25137	3.2
403.24927	1.2
421.25714	5.0
429.26239	1.0
435.27383	3.2
437.24835	1.1
443.27863	12.4
447.27359	27.9
447.33554	1.4
448.27930	2.1
449.30252	3.2
459.27319	1.2
461.28928	100.0
462.29062	4.8
465.29178	1.0
467.31039	2.7
475.30530	1.8
477.28336	1.8
479.29871	1.5
493.31726	13.4
501.32114	4.5
503.30142	1.2
511.32452	1.3
513.35968	1.6
523.34143	3.3
527.30206	1.7
541.35236	47.9
542.35419	2.6
557.30713	1.2
559.36218	25.4
569.30811	2.7
573.37933	1.8
575.36084	1.0
587.32196	1.5
591.38037	2.7
605.32953	1.7
667.38165	1.4
685.39349	1.0
703.39240	1.4
804.72089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	21.2
57.07058	1.9
59.04989	2.4
61.02910	3.7
65.03935	4.7
67.05495	87.9
69.03420	11.2
69.07057	32.1
70.06553	1.1
71.01350	1.6
71.04980	18.3
73.02905	2.9
73.06557	1.0
77.03893	1.1
79.05483	68.6
80.06293	0.9
81.03406	73.7
81.07043	86.5
82.07391	1.0
82.98964	0.9
83.04971	25.6
83.05478	1.4
83.08606	36.0
85.02376	1.5
85.02891	30.4
85.06536	6.1
86.09695	2.4
87.04462	1.4
91.03948	2.4
91.05466	67.3
92.05811	1.2
93.07030	66.4
94.07353	1.2
95.04955	40.1
95.08589	33.0
95.27867	0.9
97.02887	8.0
97.06519	22.8
97.10152	12.1
98.20715	1.7
99.04430	2.0
99.08093	5.5
103.05460	1.8
104.10669	0.8
105.04533	1.6
105.07014	51.5
107.04942	18.0
107.08579	39.9
107.09329	1.5
109.02849	2.5
109.06503	18.1
109.10146	26.9
111.04424	5.0
111.08074	18.1
113.06010	4.2
115.05432	3.4
115.07559	1.6
117.07001	15.7
119.04955	2.0
119.08566	39.8
121.06490	8.3
121.10125	26.7
123.04417	2.5
123.08039	9.4
123.11700	6.8
124.99987	1.6
125.06026	1.0
125.09608	8.7
127.03912	3.2
127.07558	0.9
128.06216	2.1
129.05487	4.2
129.06976	20.3
131.04906	1.4
131.08546	35.3
133.06476	4.3
133.10110	33.3
135.08025	8.1
135.11684	10.9
137.05913	1.1
137.09575	6.8
139.03951	1.0
139.07518	0.9
141.06976	2.6
142.07764	3.6
143.08572	5.1
145.04973	0.9
145.06451	2.5
145.10112	17.3
147.04300	0.8
147.08029	6.8
147.11658	24.1
149.05981	1.1
149.09604	16.3
149.13237	16.1
151.11208	2.7
153.09100	1.5
153.12662	0.9
155.08566	3.6
155.10605	0.9
157.08759	0.7
157.10107	20.8
159.08015	1.6
159.11656	13.5
161.09570	4.2
161.13245	3.5
163.11166	9.5
165.12727	4.9
169.10121	2.8
171.08070	1.4
171.10280	1.4
171.11668	4.3
173.04462	1.5
173.09605	1.9
173.11729	4.3
173.13286	3.5
175.11163	19.4
177.12740	6.0
177.14091	0.9
179.14371	1.2
181.10127	0.8
181.12172	1.3
183.11694	2.9
184.07312	4.7
185.13235	1.9
187.11119	1.6
187.14868	1.5
189.11183	3.9
189.12712	1.4
191.10619	1.0
193.12216	38.1
195.11848	1.0
195.13719	4.9
197.13223	1.9
199.13269	1.2
199.14873	1.0
201.12840	1.2
209.11618	1.5
209.13390	1.1
211.11208	2.1
211.13249	43.8
213.14682	1.0
215.14407	1.3
215.17921	1.1
217.15878	1.3
219.13774	1.0
227.12718	8.9
229.14293	12.9
229.19487	1.3
239.17917	2.4
241.14113	1.1
247.20512	2.0
249.14874	2.7
251.16393	1.1
255.15962	1.2
257.15305	1.0
257.19070	5.5
261.14661	1.0
267.15878	28.1
268.16345	1.8
269.17435	13.8
271.16644	1.1
273.18433	6.3
274.27332	14.0
275.20010	20.1
283.15405	5.1
285.16928	44.3
286.17154	1.1
289.18033	1.3
291.19449	3.3
293.17636	1.1
293.20944	1.4
301.16660	1.7
303.15891	1.0
307.19214	0.8
307.22672	1.8
331.22699	2.5
339.18167	2.1
343.22675	0.9
347.22144	3.6
349.23630	17.0
351.23178	1.2
365.23093	2.0
369.24197	1.3
373.23395	1.0
381.22220	1.2
381.26541	1.9
387.25702	1.3
395.20761	1.6
413.21622	9.5
421.25867	4.6
433.29529	1.5
435.27231	1.6
437.25348	3.5
439.26859	20.8
440.27316	1.0
443.27844	5.5
447.27356	3.3
455.26868	1.0
461.28918	45.0
462.29303	1.7
465.28708	1.0
479.29999	100.0
480.30338	5.1
485.28586	2.1
501.31821	2.1
503.30032	2.3
515.29639	1.0
517.13751	1.0
519.32806	2.8
523.34546	1.2
533.30725	1.5
539.33813	1.6
541.35321	18.3
545.30481	1.2
557.33661	1.7
559.36279	30.5
560.36786	2.5
569.31390	4.3
573.35095	3.5
575.35748	2.1
577.37061	3.6
587.31891	3.4
591.39117	13.4
605.33289	6.3
609.36017	2.3
623.34204	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05824	1.3
57.03427	24.7
57.07069	2.2
59.04989	4.7
60.26992	1.2
61.02897	3.2
61.63673	1.2
65.03923	5.7
67.05495	96.7
68.05824	1.9
69.03424	10.3
69.07057	29.5
69.67366	6.2
69.67796	4.9
71.04982	14.1
71.07362	1.5
71.08613	2.1
73.02891	3.5
79.05482	85.0
80.05824	1.7
80.75820	1.3
81.03407	100.0
81.07046	88.2
82.03752	2.4
82.07383	3.9
82.24553	1.3
83.04970	19.5
83.08608	34.8
85.02892	9.7
85.06536	7.8
86.09736	1.9
87.04445	5.8
89.08047	1.2
91.05466	80.9
92.05774	1.8
93.07032	74.2
95.04956	43.4
95.05392	1.2
95.08598	44.9
95.09197	3.0
96.05257	1.2
96.08920	1.4
97.02882	9.2
97.06513	13.2
97.10155	19.5
98.20652	2.5
99.04430	3.8
99.08079	5.1
103.05474	2.0
105.07013	68.4
106.07296	1.5
106.90576	1.5
107.04944	14.1
107.08584	40.6
107.09324	2.0
108.08912	1.3
109.02856	1.9
109.06495	9.0
109.10143	38.3
110.10474	2.2
111.04414	4.3
111.08065	16.8
113.06009	2.8
113.09625	1.5
115.05452	4.2
117.07001	29.1
119.04925	1.8
119.08562	54.6
120.08887	3.0
121.06473	9.5
121.10131	31.6
123.04435	2.2
123.08065	8.1
123.11669	5.7
125.00006	1.5
125.09608	13.9
127.03883	2.9
128.06232	4.6
129.05496	3.1
129.06989	27.9
131.04886	2.1
131.07643	2.6
131.08551	34.6
133.06447	7.6
133.10109	43.3
134.10416	2.8
135.08043	9.1
135.11685	14.5
137.09587	6.6
137.13165	1.7
139.11171	2.1
141.06967	5.1
142.07791	7.4
143.08559	13.4
145.06474	3.9
145.10104	27.8
147.08041	8.3
147.11667	25.9
149.09598	16.1
149.13234	10.4
151.11176	5.3
152.11481	2.4
153.09074	2.5
155.08528	6.2
157.10118	22.9
159.08017	2.9
159.11685	20.2
161.09570	3.6
161.13260	11.2
163.11163	9.2
163.14804	1.8
165.12778	3.2
167.08563	4.0
169.10077	8.1
171.08022	2.0
171.10307	2.5
171.11665	15.9
173.04427	2.0
173.09589	3.6
173.11722	6.7
173.13268	9.1
175.11131	13.2
175.14792	3.2
177.12692	3.8
178.61098	1.3
179.14384	2.6
181.10074	3.8
181.12430	1.5
183.11696	7.1
184.07330	5.2
185.09695	2.4
185.13193	9.2
187.11177	3.2
187.14783	4.1
189.11241	10.2
189.12717	2.5
191.14249	1.4
193.12234	29.0
193.57413	1.4
195.11699	4.1
195.13646	2.9
197.13248	5.7
199.11296	1.5
199.13208	2.5
199.14819	5.4
201.12737	3.3
201.16379	2.8
203.14317	2.2
205.12152	2.6
207.11736	2.1
207.13719	1.8
209.11523	1.6
209.13301	2.4
211.13242	10.8
211.14827	2.9
217.15779	3.1
219.13866	2.0
225.14659	2.7
227.12712	11.1
229.14302	16.6
233.15298	2.3
239.18071	1.9
241.19528	4.3
249.14888	4.6
253.14349	7.3
254.14629	4.2
257.18970	5.4
259.20596	11.2
263.17776	1.8
267.15875	71.8
268.16205	4.7
269.17334	14.1
273.18393	3.1
275.19980	13.3
277.21646	1.4
281.17392	1.7
285.16946	6.2
287.20081	1.7
291.19531	2.6
293.21027	11.7
297.22162	1.9
299.23761	3.8
303.23337	1.4
305.20865	2.0
313.21539	2.4
315.23178	3.3
331.22528	2.4
333.24249	9.8
347.22339	1.7
349.23706	11.1
351.22989	3.2
361.24146	1.4
366.23306	1.6
367.24536	4.7
369.24207	5.2
385.23502	1.7
387.25153	4.3
399.23859	1.6
405.26727	1.7
407.24197	1.5
421.25745	12.6
431.28607	2.7
433.30698	3.6
435.27405	3.7
439.26758	4.4
443.27963	6.9
447.27130	4.3
449.29764	3.0
451.31802	6.0
461.28906	31.1
464.27023	1.9
465.27469	1.8
467.30551	1.7
469.33075	3.2
473.29025	1.7
487.34317	1.8
493.31662	9.4
501.32123	2.3
507.35046	2.0
517.34967	2.8
525.35742	28.7
529.38654	2.9
541.35248	15.4
543.36786	59.6
544.37000	3.1
557.38751	7.4
558.35046	3.9
559.35895	22.2
575.39355	9.8
609.36121	3.1
611.46161	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	26.4
57.07065	2.2
59.04988	5.2
61.02918	4.8
65.03934	4.3
67.05492	100.0
68.05827	1.2
69.03417	9.4
69.07057	18.8
69.74632	1.9
69.75055	3.8
71.01342	1.7
71.04983	7.7
73.02906	4.6
77.03910	1.3
79.05478	48.3
81.03402	80.4
81.07040	58.8
82.03742	1.1
82.07372	1.3
83.01328	0.7
83.04967	26.0
83.08096	1.1
83.08603	36.4
85.02889	38.8
85.06516	5.3
86.09682	1.0
87.04444	5.8
91.05462	55.5
92.05790	1.3
93.07024	34.1
93.76293	0.7
94.07356	1.0
95.04951	38.5
95.08588	23.6
96.05227	0.8
97.02872	8.6
97.06506	10.2
97.10150	16.9
98.21512	1.0
99.04429	1.4
99.08085	2.5
101.06007	0.9
103.03931	1.2
105.07010	33.7
106.07379	0.9
107.04954	11.2
107.08578	21.1
109.02924	0.7
109.06511	9.2
109.10137	65.9
110.10488	0.8
111.04411	5.2
111.08056	17.1
113.05997	3.6
115.05433	2.2
116.04652	0.9
117.06996	5.6
119.04926	1.1
119.08558	31.7
121.06467	3.8
121.10122	13.1
123.04439	1.3
123.08040	6.4
123.11684	3.0
125.00040	0.7
125.05981	0.9
125.09602	14.8
127.03927	1.3
128.06181	1.2
129.05516	3.8
129.06975	16.7
129.63673	0.7
131.04861	0.8
131.08542	18.7
133.06445	2.9
133.10097	18.5
135.08026	1.5
135.11684	5.1
137.09599	6.5
138.01726	0.8
142.07782	4.1
143.08516	1.1
143.10634	2.5
145.06467	1.3
145.10094	7.0
147.08020	5.0
147.11658	20.1
149.09576	9.0
149.13203	0.8
151.11133	2.1
153.12744	3.2
155.08588	1.5
155.10649	3.5
157.10095	18.6
159.11646	1.5
163.11143	9.0
165.09207	0.9
165.12717	3.9
171.06470	0.7
173.04427	0.9
173.09599	2.3
173.11700	20.4
175.11150	20.8
181.12210	3.2
184.07356	3.4
184.38673	0.8
189.11253	1.4
191.10619	3.2
193.12210	63.4
194.12492	0.9
195.13861	1.0
199.13295	7.7
209.11665	6.8
211.13258	95.8
212.13559	1.3
215.12691	1.0
217.14233	0.8
223.13226	0.8
227.12784	9.8
229.14311	51.4
230.14680	1.0
249.14876	2.1
253.14301	3.0
255.15816	0.8
257.13687	1.5
265.14215	1.5
267.15866	36.1
268.16205	1.0
269.17310	1.9
273.18378	1.0
275.20163	0.7
283.15344	8.4
284.15851	0.8
285.16922	71.5
291.19583	1.1
301.16406	14.0
349.23373	1.1
360.32440	0.8
383.22418	1.0
391.24640	0.9
399.23737	20.8
409.25824	3.4
410.81149	0.8
421.20096	0.9
421.25714	13.4
423.27298	2.5
427.26807	3.6
439.26846	49.9
440.27240	1.2
447.26740	0.7
459.27267	1.2
475.26657	1.5
477.28088	2.4
493.28171	5.0
511.29004	12.3
529.29651	2.3
559.35004	1.0
591.36108	1.7
609.36255	44.9
610.36450	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03162	1.5
57.03429	20.4
57.07077	4.4
59.04972	2.7
61.02913	7.0
65.03928	4.8
67.05493	100.0
68.05824	1.2
69.03415	10.2
69.07058	56.3
69.66843	1.2
69.67187	7.6
70.07355	0.8
71.01350	2.1
71.04978	9.0
73.02900	6.8
75.69638	0.9
77.03893	2.0
78.03213	0.8
78.04701	1.0
79.05482	56.7
80.05811	1.0
80.06241	1.3
81.02937	1.5
81.03407	35.3
81.07042	68.1
82.04169	5.1
82.07352	1.4
83.04965	18.3
83.08606	20.7
84.05741	1.1
85.02892	14.1
85.06525	6.3
86.09678	3.7
87.04436	2.0
87.95956	0.8
91.03920	2.7
91.05466	60.2
92.05774	1.6
93.07027	51.6
94.04163	1.2
94.07338	1.7
94.07857	1.2
95.01323	1.5
95.04957	28.5
95.08592	42.9
96.05748	1.4
97.02877	9.6
97.06518	23.1
97.09563	1.3
97.10153	17.7
98.07307	4.7
99.04433	2.7
99.08076	3.2
101.05975	1.5
103.03947	1.1
103.05453	1.9
104.06192	1.3
105.04519	1.4
105.07012	42.5
107.04938	16.4
107.08575	32.2
109.02863	3.0
109.05919	0.9
109.06524	9.2
109.10137	51.0
111.04405	3.7
111.08056	10.5
113.06008	2.1
113.09597	0.9
115.05462	2.0
116.04695	9.0
116.06200	0.9
117.06995	19.4
118.05852	0.9
118.07302	0.8
119.04900	1.0
119.08559	36.5
121.06496	6.9
121.10126	16.7
123.04423	1.9
123.08050	11.7
123.11652	4.2
124.99952	2.5
125.06007	1.2
125.09611	21.4
127.03903	2.4
127.07542	1.0
127.11186	2.0
128.06183	2.3
129.05453	22.0
129.06947	9.7
130.07686	1.5
131.07637	1.6
131.08548	22.4
133.06462	3.7
133.10101	31.4
135.08037	8.2
135.11659	13.9
136.08850	1.1
137.09592	17.0
139.03899	0.9
139.07516	1.4
139.11148	1.4
141.06920	1.0
142.07726	1.2
143.07033	5.6
143.08537	5.4
143.10651	0.9
145.06438	2.9
145.10103	17.9
146.10785	1.0
147.07959	5.2
147.11662	15.3
149.09593	22.5
149.13228	3.9
151.07532	1.0
151.11176	5.3
153.09071	1.3
153.12721	1.5
154.65578	0.9
155.08536	2.5
155.10608	3.1
157.08574	9.3
157.10098	9.0
158.05688	2.0
159.08049	1.0
159.11664	10.6
161.09572	4.1
161.13245	5.9
163.11163	16.0
165.09145	2.1
165.12712	1.8
167.10634	1.3
169.10051	1.8
169.12132	1.2
171.06529	2.2
171.07921	1.0
171.10123	6.3
171.11656	4.9
173.04399	1.2
173.09572	3.0
173.11687	14.2
173.13245	6.3
175.11142	9.5
175.14783	2.0
177.12738	3.9
179.10741	1.3
179.14325	4.3
181.10103	1.3
181.12131	2.0
183.11719	1.3
184.07317	15.9
184.13362	0.9
185.07988	1.0
185.09656	1.0
185.11700	1.4
185.13200	3.0
187.11166	2.6
187.14815	2.1
189.11171	7.2
189.12692	1.5
191.10608	2.4
191.14218	1.0
193.12227	13.8
195.13734	2.4
197.13187	1.3
199.09554	2.0
199.13226	9.6
200.13908	2.1
205.12262	1.8
209.11664	6.5
210.12346	1.4
211.13232	13.5
213.16357	1.2
217.14317	1.0
219.13641	0.9
223.13162	4.7
227.10681	1.2
227.12744	14.6
228.13300	0.9
229.14301	24.9
229.16429	1.8
229.19406	1.8
233.15123	0.9
235.16872	1.0
239.17986	1.1
241.14297	1.1
242.14941	1.2
243.15883	1.3
245.19075	1.2
247.20529	2.5
253.14226	5.8
253.17905	1.2
255.15895	3.6
257.18903	7.3
259.20590	1.4
263.19992	1.6
265.14188	1.2
267.15854	13.6
269.17337	2.6
273.18472	8.3
274.19174	2.3
275.20038	29.3
283.15454	6.1
283.18579	1.3
285.16879	9.0
291.19492	15.3
293.21024	2.9
295.18823	0.9
299.14951	1.4
301.16415	35.8
301.19916	1.8
302.16568	1.3
311.22290	1.0
325.19980	1.5
331.22507	1.4
333.24329	1.2
347.21942	1.4
349.23703	38.5
350.24274	1.0
365.23190	6.1
367.24716	1.5
382.19571	0.9
383.24146	2.7
397.22003	3.6
399.23663	2.2
409.25851	1.3
421.25821	2.9
423.27420	1.6
425.25473	1.7
439.27109	5.1
455.26285	10.5
461.28842	2.3
469.27829	0.9
473.32422	1.2
474.34033	1.1
477.28162	1.5
479.29962	6.5
493.28195	1.3
501.31958	1.1
511.28802	2.5
519.32996	3.1
523.28717	1.0
541.35107	4.3
543.36395	1.2
557.34247	2.4
558.34845	1.4
559.35626	3.0
575.26837	1.7
575.35706	29.7
576.35773	2.4
591.35419	1.0
593.36560	5.8
609.36218	4.5
614.43927	1.0
806.44769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03156	2.1
57.03428	28.3
57.07064	3.7
59.04995	5.3
61.02911	6.1
65.03939	5.5
67.05497	100.0
69.03419	18.3
69.07061	57.4
70.04182	1.9
71.01359	3.5
71.04983	28.7
73.02905	7.8
73.06562	1.6
77.03927	2.2
78.61004	1.1
79.05485	79.9
80.06258	1.8
81.03410	73.8
81.07047	94.4
82.04194	3.4
82.07398	2.4
83.01340	2.0
83.04971	28.7
83.08613	35.0
84.02118	2.2
85.02892	31.6
85.06540	8.7
86.09720	1.7
87.04457	1.7
88.37592	1.3
91.03954	3.3
91.05469	84.4
93.07032	72.2
94.04217	1.3
95.04958	49.5
95.08594	41.6
97.02885	15.2
97.06522	71.0
97.10159	14.1
98.07307	2.0
98.21469	2.6
99.04442	4.6
99.08100	6.8
103.05448	2.9
105.04537	1.6
105.07016	54.3
106.07315	1.4
107.04938	20.2
107.08578	39.8
109.02874	4.7
109.06508	26.2
109.10149	39.5
111.04461	5.9
111.08068	23.1
111.11717	1.4
113.05986	6.4
115.05444	3.9
115.07555	22.5
116.04700	3.2
116.06247	1.7
117.07005	18.7
119.04978	1.3
119.08568	47.6
121.06511	13.8
121.10126	23.2
123.04448	2.1
123.08044	12.0
123.11711	5.6
124.99966	2.2
125.09621	9.8
127.03914	3.1
127.07560	2.9
128.06238	2.6
129.05482	11.3
129.06979	21.2
131.07057	3.3
131.08548	28.4
133.06482	7.7
133.10115	33.6
135.08009	10.3
135.11655	13.0
137.09601	9.7
137.82161	1.5
139.07549	5.3
141.07030	3.0
141.09119	1.9
142.07794	4.0
143.07091	2.4
143.08537	7.3
145.04991	2.3
145.06400	2.9
145.10109	18.0
147.07988	8.5
147.11676	24.1
148.06052	2.2
149.09593	15.6
149.13222	8.9
151.11174	6.9
155.08563	4.2
155.10667	1.9
157.06474	1.9
157.08594	4.2
157.10109	21.8
159.08049	2.1
159.11656	8.4
161.09636	5.9
161.13240	2.0
163.11180	14.2
165.09064	1.5
165.12755	5.3
169.10135	2.9
169.12285	1.9
171.07982	1.5
171.10252	2.8
171.11702	6.5
173.04468	2.7
173.09647	2.8
173.11755	9.2
173.13162	2.7
175.11172	17.7
176.11557	1.7
177.12755	6.4
180.96318	1.5
181.10075	1.8
181.12199	2.5
183.11655	3.5
184.07329	5.9
185.13232	1.8
187.11176	3.1
187.14738	1.9
189.11201	4.4
191.10641	2.7
192.11272	1.8
193.12221	41.6
194.12881	2.4
195.13820	6.5
197.13293	1.9
198.19940	1.8
199.13153	2.2
199.14824	2.9
203.14252	1.7
209.11824	3.4
209.30722	1.4
211.13263	49.0
213.14995	2.0
215.14447	1.9
217.15991	4.0
219.13605	2.1
221.15366	1.5
227.12691	11.2
229.14323	17.0
230.24950	2.3
233.15335	2.7
243.13774	2.0
243.15947	4.9
245.18909	2.0
249.14713	2.0
253.14250	3.2
255.15608	2.8
257.19046	3.0
261.18585	1.7
267.15918	30.3
268.16772	5.2
269.17474	22.4
273.18509	15.8
274.27396	2.6
275.20047	11.5
283.15363	14.7
285.16916	42.8
289.17944	3.4
291.19565	8.3
299.14893	1.6
301.16394	14.3
305.17294	2.0
307.19165	3.5
323.18347	1.4
337.16312	1.5
338.57629	1.4
347.22198	6.4
349.23746	12.0
353.68121	1.6
365.23203	5.2
391.81931	1.5
421.25732	6.8
437.25177	12.4
439.26962	44.0
443.27740	2.5
447.27472	3.6
453.28641	2.7
455.26782	1.7
460.28058	6.2
461.28928	14.2
477.28308	6.1
478.28989	3.5
479.30026	31.4
493.28067	1.6
495.29407	3.2
519.32965	3.6
539.33368	1.7
541.35315	6.8
557.34674	8.0
559.36267	13.2
573.34100	5.2
575.35730	4.8
591.36829	4.3
609.36023	3.1
623.34381	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	805.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	3.3
67.05478	1.4
69.03406	3.4
69.57100	3.9
69.57531	5.9
70.06587	0.9
78.04698	2.6
79.05492	2.3
81.03411	1.5
85.02894	7.4
86.09686	1.2
91.05450	4.3
93.03376	1.7
93.58261	1.0
95.04942	3.7
97.02870	2.0
97.06454	1.0
98.98418	1.0
103.05433	2.6
104.10678	2.0
106.31503	0.9
107.04947	4.8
109.02889	0.9
110.03616	2.8
111.04407	1.6
114.79248	1.0
115.05437	6.4
117.06994	9.2
121.06458	3.2
123.04417	8.7
124.05193	3.2
125.05914	1.1
127.03818	1.2
127.05448	1.2
131.04895	2.2
135.04388	2.2
137.05945	2.9
139.03860	1.8
145.06464	13.6
147.04419	1.9
149.05965	3.0
151.03909	2.5
152.04691	2.5
155.04907	1.1
155.06004	3.3
159.04488	1.6
160.11327	1.0
161.05931	2.0
163.03902	4.6
165.05489	1.4
167.07018	100.0
168.07292	0.9
171.06487	3.4
173.05956	22.5
175.07558	2.1
177.05507	4.6
181.04933	67.6
184.07242	1.2
190.06058	1.1
191.06982	2.7
193.08492	1.5
201.05400	2.6
203.07018	6.0
204.06432	1.1
205.08597	6.7
207.06450	1.4
207.10170	1.3
209.08070	4.1
217.08516	1.2
219.06380	1.9
221.08142	1.3
231.06470	1.1
233.07973	8.7
234.08794	2.4
235.07579	1.0
235.09608	5.7
239.07056	1.0
247.05965	4.4
265.08508	1.1
274.19980	0.9
282.08884	1.0
295.05835	1.3
297.11227	2.2
307.09262	1.2
310.08005	1.2
325.10596	2.8
326.11377	2.2
328.97513	1.5
329.13663	1.3
353.10162	1.6
355.11755	1.3
357.13272	6.5
374.97913	8.0
382.55566	1.2
385.12781	29.5
386.13443	1.4
387.14264	5.7
388.95920	2.9
392.98950	7.6
397.12671	4.0
397.99664	1.1
403.13693	3.1
415.13828	6.7
416.14493	4.0
417.15399	15.3
489.15103	1.3
507.16653	1.0
577.18915	1.6
643.23798	39.3
644.23895	1.9
658.00146	2.3
659.00897	22.3
660.00934	4.3
718.99811	1.1
805.29138	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	804.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	2.5
57.03437	8.5
57.07065	6.4
57.31638	1.0
58.06610	1.2
59.04985	4.8
64.93686	1.1
65.03934	6.1
67.05495	100.0
68.04983	1.7
68.05808	1.7
69.03410	3.7
69.06689	2.0
69.07056	31.4
69.44948	1.1
70.06571	1.6
70.53240	1.1
71.01363	1.2
71.04984	7.8
71.08620	38.6
71.81120	1.9
71.84772	1.1
74.09702	1.1
77.03956	1.2
79.05482	72.5
80.05006	4.0
80.05789	1.6
81.03400	15.8
81.07044	94.4
82.06561	4.8
82.07356	2.3
83.04967	16.2
83.08606	21.5
84.08116	2.0
85.02876	4.2
85.06521	6.0
85.10157	1.6
86.09691	1.4
87.04470	2.1
87.30770	1.0
91.05469	67.6
93.07034	85.0
94.06539	2.5
95.04951	23.4
95.08594	47.0
96.08108	1.8
97.02876	3.1
97.05924	1.9
97.06516	14.7
97.10138	9.0
98.06021	2.9
98.98451	5.9
99.04491	1.7
99.08079	23.7
103.05424	2.4
105.04506	1.9
105.06334	2.2
105.07020	44.5
107.04940	8.7
107.08575	41.1
108.08059	3.2
109.06490	8.4
109.10134	23.4
110.34480	1.0
111.04420	1.4
111.08057	6.0
113.09621	4.5
115.05402	2.0
117.06998	17.4
119.08559	33.2
119.09413	1.9
120.08044	1.7
121.06481	4.6
121.10132	23.1
122.09669	1.3
123.08079	6.4
123.11685	5.5
124.01604	1.9
124.11168	1.1
124.99948	1.9
125.09595	5.0
126.05279	1.1
126.12757	4.4
127.03928	1.9
128.06203	1.6
129.05475	1.4
129.06998	8.9
131.08557	19.1
133.06523	1.2
133.10110	26.0
135.08035	5.0
135.11668	18.3
137.09586	3.2
137.13208	2.1
139.11182	3.7
141.06927	1.9
141.12712	1.7
142.07759	2.6
142.12209	2.2
143.08580	5.9
145.06404	1.5
145.10107	12.6
147.08022	1.3
147.11678	15.6
149.09602	4.4
149.13222	15.1
151.11154	30.1
153.08983	1.2
153.12715	1.4
155.01015	2.8
155.08524	1.4
157.10126	7.6
159.11642	11.9
161.09581	2.6
161.13239	17.1
163.11160	26.4
163.14828	2.7
164.96053	1.3
165.12732	5.0
167.63179	1.2
169.10112	1.4
171.11646	6.0
173.11699	3.4
173.13190	2.7
175.11087	1.8
175.14798	4.5
177.12685	11.0
179.14272	15.1
179.17564	1.2
184.07315	5.3
185.13200	4.6
187.14798	2.1
189.11171	1.7
189.12740	1.9
193.12224	3.3
195.13748	5.8
196.13365	1.4
196.16933	1.3
197.13333	1.8
199.14745	1.4
217.19473	1.3
220.16959	17.9
222.18484	1.9
224.10431	2.3
227.12781	3.1
229.14282	7.5
229.19495	1.5
231.21082	3.2
238.17990	14.0
241.19527	9.1
249.22220	1.8
251.16377	4.6
253.14302	1.7
253.17574	1.2
253.20111	1.2
257.18906	1.6
259.20544	9.8
267.15964	4.9
269.17459	16.1
275.20010	3.3
276.20218	1.4
277.21582	27.3
294.20645	1.4
295.22653	3.9
299.02188	1.1
300.13535	1.8
302.24762	5.3
315.23026	2.6
318.14706	6.6
320.25830	12.3
333.24240	5.4
336.15579	3.9
338.26605	1.9
349.23654	3.7
351.25256	26.0
369.26276	2.6
374.17081	5.6
392.18256	15.8
400.22397	2.0
409.25763	1.3
413.21182	1.4
431.21887	3.2
445.29245	1.8
449.28784	1.5
463.30493	31.9
464.30899	1.6
473.32315	1.3
474.26028	4.5
479.30203	1.2
488.33548	1.7
492.27179	2.2
503.33508	1.9
517.39331	1.5
527.37335	12.4
531.36719	2.6
543.36517	3.8
545.38293	73.5
546.38666	2.8
563.39362	11.2
570.41046	2.5
572.29547	1.8
586.31323	19.4
588.43054	1.3
591.44067	1.8
609.45154	10.0
624.42737	1.7
627.46100	38.0
645.47070	10.8
650.38135	8.9
668.39148	27.7
669.39471	1.9
686.40021	3.4
732.46155	2.8
750.46631	5.7
768.47845	2.4
786.47693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.0
57.03213	1.1
57.03436	10.6
57.07060	9.1
59.04983	4.7
61.02900	1.7
65.03927	4.2
67.05498	98.9
68.05026	1.9
69.03410	5.0
69.06705	2.3
69.07060	34.1
71.05000	9.6
71.08622	38.0
71.78837	1.0
77.03914	1.2
79.05486	70.7
80.05012	7.4
80.05795	1.3
81.03415	17.0
81.07048	100.0
82.06566	7.1
82.07370	1.9
83.04979	16.8
83.08607	24.9
84.08141	1.9
85.02905	2.3
85.06524	6.3
85.10162	2.3
86.09698	1.2
87.04450	2.7
91.05472	67.0
92.05813	1.9
93.07034	81.6
94.06538	2.9
94.07334	1.6
95.04955	23.2
95.08599	51.7
95.09215	2.7
96.08131	2.7
97.02878	1.9
97.06520	14.9
97.10150	7.4
98.06046	3.0
98.98448	7.4
99.04400	1.6
99.07454	1.6
99.08084	30.2
103.05449	2.0
103.83473	1.1
105.04494	2.3
105.07019	48.4
106.06525	1.2
106.07343	1.1
107.04948	7.6
107.08582	41.2
108.08087	2.8
109.06509	8.9
109.10148	24.1
110.09655	1.6
111.04440	2.6
111.08072	8.0
113.09623	4.5
115.05465	2.5
117.07009	23.3
119.07756	2.4
119.08572	31.3
120.08133	1.4
121.06486	4.5
121.10126	23.2
123.04353	1.2
123.08061	4.6
123.11690	5.1
124.11202	1.6
124.99983	2.0
125.09582	5.2
126.12759	6.0
127.03832	1.1
128.06183	1.7
129.06984	10.5
131.08554	20.4
133.06454	2.1
133.10118	31.1
134.09639	1.7
134.10556	1.4
135.04468	1.3
135.08028	3.7
135.11681	21.2
136.01561	1.2
137.09602	4.5
137.13228	1.4
139.11130	4.4
141.06944	1.8
141.12711	1.5
142.07733	1.7
142.12209	2.1
143.08554	7.7
145.10104	13.3
147.08041	2.4
147.11678	14.4
149.09618	5.5
149.13242	13.8
151.11165	30.9
153.12698	1.3
155.00974	1.5
155.08548	1.3
157.10118	6.8
159.11664	14.6
161.09647	2.2
161.13237	15.5
163.11172	27.1
163.14848	2.2
165.12750	5.7
169.10117	1.8
171.11676	8.9
173.09590	1.4
173.11842	2.4
173.13222	3.6
175.11163	2.9
175.14835	4.1
177.12733	10.8
179.14311	13.8
181.12360	1.9
184.07326	4.0
185.13232	4.6
187.11356	1.1
187.14810	2.6
189.16304	1.4
193.12219	2.8
195.11984	2.1
195.13808	8.0
196.13318	1.8
199.14839	1.5
201.14714	1.1
204.13762	1.1
207.13838	1.7
215.18188	1.2
217.19562	1.7
220.16940	20.5
224.10431	3.0
227.12753	2.7
227.45389	1.1
229.14284	6.8
231.21042	2.0
238.17950	14.6
239.17995	1.2
241.19447	8.2
249.22186	1.3
251.16322	5.8
253.14264	1.5
253.37775	1.1
257.19128	1.7
259.20587	10.9
264.27774	1.1
267.15909	7.2
269.17450	15.6
275.20120	5.4
276.20193	1.7
277.21600	30.9
277.24637	1.7
294.20755	1.7
295.22778	2.2
300.13644	1.7
302.24631	5.6
315.23221	2.2
318.14627	7.5
320.25775	13.6
333.24188	5.7
336.15720	4.0
338.26724	2.4
349.23627	4.7
351.25238	22.3
369.26273	3.5
374.17206	4.9
392.18323	14.8
400.22455	3.1
409.25729	2.5
421.25919	1.9
431.21878	3.2
439.26709	1.2
445.29343	3.2
447.30582	1.6
449.28845	2.8
451.32245	1.2
463.30539	29.9
464.30722	2.0
474.26025	4.2
492.27383	2.0
498.59744	1.1
503.33466	1.8
525.35315	2.6
527.37256	12.6
531.36761	3.2
543.37097	6.2
545.38342	73.2
546.38495	3.6
563.39392	10.6
570.41278	2.4
572.29901	1.9
586.31342	20.5
599.46375	1.2
609.45038	10.6
627.46149	35.6
628.46460	1.3
645.47083	10.0
650.38318	8.3
663.48077	1.3
668.39081	27.9
686.39954	4.1
732.45795	2.0
750.47266	5.9
768.47742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	14.6
57.07047	1.8
61.02913	0.8
65.03935	4.6
67.05499	67.4
67.05835	2.6
69.03422	7.4
69.07063	17.3
71.04991	6.1
71.80777	0.8
73.02872	1.0
73.06533	0.9
73.73365	0.7
74.14137	0.7
79.05483	41.4
80.05843	0.9
81.03408	77.1
81.07047	65.4
82.03705	0.9
82.04150	0.7
82.07372	1.8
83.01328	1.3
83.04974	14.8
83.08609	22.8
85.02899	4.7
85.06078	0.8
85.06526	6.2
86.09682	1.1
87.04428	1.1
91.05470	60.4
91.82616	0.8
92.05798	1.2
92.76860	0.7
93.07034	42.1
94.07377	0.8
95.04961	30.9
95.08011	1.3
95.08595	24.4
97.02885	5.2
97.06519	8.5
97.10150	6.3
99.04414	2.6
99.08031	1.1
103.05439	1.7
105.04487	0.9
105.07018	52.3
106.07339	0.8
107.04947	13.3
107.08580	38.7
109.02856	2.1
109.06506	10.8
109.10143	54.4
111.04412	2.4
111.08070	8.9
113.05964	2.9
115.05419	2.5
117.07004	10.2
119.04921	1.4
119.08574	23.1
120.08870	0.7
121.06499	9.4
121.10130	14.0
123.04366	2.9
123.08058	7.4
123.11692	8.9
124.99940	1.2
125.05942	1.0
125.09608	4.4
127.03883	1.1
127.07525	1.7
128.06180	1.9
129.05484	1.2
129.06996	10.4
131.07661	1.2
131.08559	17.8
133.06494	9.0
133.10114	66.9
134.10405	1.0
135.04517	0.8
135.07173	0.8
135.08051	7.4
135.11671	8.2
137.05989	1.4
137.09584	4.9
139.07530	1.9
141.06969	1.5
142.07770	2.7
143.08556	6.9
145.06412	2.3
145.10109	12.0
147.08037	7.0
147.11673	11.1
149.09604	10.7
149.13252	0.9
151.11165	27.2
153.12680	1.9
155.08513	2.2
157.10104	11.8
159.08170	1.4
159.11658	4.5
160.21262	0.6
161.02141	0.7
161.09607	8.7
161.13240	2.4
163.11160	8.8
164.11610	0.8
165.12714	2.4
169.10085	1.9
169.12209	4.5
171.08008	0.9
171.11604	3.8
173.04527	1.0
173.09583	2.8
173.11703	2.0
173.13219	2.0
175.11162	11.0
177.09088	1.8
177.12733	1.3
179.10645	3.5
181.08646	0.9
181.10129	1.4
181.12166	1.0
183.11665	1.4
184.07323	5.9
185.09689	1.0
185.13249	1.5
187.11060	1.1
189.11163	1.0
189.12747	2.1
191.10617	1.2
193.12224	23.4
195.11703	1.1
201.12796	1.3
205.12222	2.5
209.11713	2.4
211.13234	2.2
211.88107	0.7
213.12747	1.4
215.12711	2.9
217.12236	1.0
223.13181	1.7
225.14661	1.0
227.12717	7.1
227.17833	1.3
229.14268	7.5
244.46465	0.7
245.18970	3.6
249.14841	1.8
253.14319	100.0
254.14653	2.2
255.17546	1.2
263.16599	1.0
263.20087	3.5
267.15881	65.3
268.16284	1.4
271.15256	1.3
273.18472	18.0
275.20074	1.5
283.15427	10.1
287.20029	9.3
291.19507	22.3
301.16620	2.0
309.20700	2.2
321.09482	0.8
325.21667	0.9
329.21048	1.1
343.22769	1.6
347.22165	6.4
365.23221	35.0
366.23550	2.0
371.22150	2.1
389.23148	2.9
390.28748	0.8
399.23727	1.4
403.24832	1.0
419.23700	0.8
421.25974	2.7
435.26776	1.0
437.25128	5.5
445.25830	21.9
447.28864	2.9
461.25119	1.4
463.26831	22.0
463.32941	1.3
464.27164	1.1
465.30045	5.8
475.27127	1.0
477.28137	1.1
483.31186	2.8
529.35077	0.8
539.33655	20.6
540.33698	1.5
557.34680	99.1
558.34943	6.1
575.35803	5.9
599.36072	1.0
607.34839	2.3
624.43280	0.8
767.41858	0.9
777.03882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.8
57.07044	0.5
59.04964	0.9
65.03909	1.7
67.05495	25.9
69.03418	7.9
69.07059	18.2
71.04990	2.6
79.05485	22.5
81.03407	54.1
81.07044	23.4
82.03715	0.7
82.07382	0.5
83.04965	6.8
83.08611	16.7
85.02885	1.2
85.06516	1.0
86.09686	0.5
91.05466	22.3
93.07034	19.0
95.01289	0.6
95.04954	19.7
95.08025	0.7
95.08590	10.6
97.02877	9.1
97.06512	4.0
97.09600	0.7
97.10160	9.7
99.04395	0.8
99.08017	0.8
105.03380	0.8
105.07014	17.6
107.04269	0.5
107.04939	9.2
107.08579	12.2
108.05653	0.5
109.02827	0.7
109.06506	5.5
109.10133	9.4
111.04390	1.6
111.08055	5.3
115.05463	1.0
117.07008	5.7
119.04924	1.2
119.07768	0.9
119.08564	14.4
121.06505	4.7
121.10134	8.0
123.04399	0.8
123.08050	4.3
123.08839	0.7
123.11631	1.1
125.05958	0.8
125.09615	9.1
128.06171	1.2
129.06973	7.7
131.08543	10.4
133.06490	4.5
133.10109	10.5
135.08035	4.5
135.11682	3.6
137.09613	2.4
141.06940	0.9
142.07744	1.8
143.08519	3.3
145.06387	1.0
145.10098	7.3
147.08023	6.6
147.11661	7.0
148.42538	0.5
149.09599	5.4
149.13205	1.7
151.11143	1.6
153.09045	1.4
155.08528	1.3
157.10114	7.8
159.07986	1.1
159.11658	2.9
161.09566	2.7
162.10378	0.9
163.11160	3.5
165.09134	0.7
165.12703	1.5
169.10092	1.0
169.12198	0.7
171.07974	0.7
171.11650	1.6
173.09555	1.0
173.11723	1.1
173.13164	0.9
175.11154	5.4
177.12753	1.6
181.12155	0.8
184.07350	1.1
185.13174	1.4
187.11147	0.9
189.11156	4.3
189.12695	0.9
191.10651	1.4
191.14206	0.6
193.12212	13.4
205.12193	1.6
207.13792	0.9
211.13272	1.6
219.13731	3.8
223.13261	14.5
224.13770	0.5
225.12726	0.5
225.14853	0.6
227.12729	7.9
229.14377	0.9
242.46045	0.5
245.19044	1.2
249.14803	3.8
253.14319	4.2
267.15878	67.1
268.16174	2.3
273.15240	0.6
273.18488	9.5
283.15421	3.1
285.16846	0.6
289.17993	0.6
291.19504	67.3
292.19891	1.8
298.82407	0.5
301.14304	0.7
313.21631	2.7
315.18970	0.7
347.22241	1.9
365.23178	44.9
366.23471	1.7
367.22781	0.8
385.23608	1.3
389.23410	0.9
419.23950	0.8
437.25140	1.1
445.25809	5.6
447.28510	0.6
459.27271	5.3
463.26944	2.6
465.30014	1.1
477.28378	3.3
483.31152	1.9
539.33582	7.1
557.34674	100.0
558.34943	5.9
575.35858	3.1
599.35541	0.9
665.36426	0.8
683.37402	0.9
807.79279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.8
58.66212	0.7
58.68767	0.7
59.37283	0.7
60.64637	0.9
61.02900	2.1
63.75331	0.7
65.03916	2.6
67.05141	1.4
67.05494	25.6
69.03416	22.4
69.07053	7.6
69.45392	10.0
71.01331	1.6
71.04981	9.0
73.02899	2.0
79.05479	23.5
81.03403	100.0
81.07038	28.4
83.04967	21.4
83.08605	21.7
83.22828	0.7
84.04506	1.0
84.41089	0.8
85.02890	21.3
85.06519	1.9
91.05466	31.4
91.06034	1.7
93.07027	19.1
95.04956	29.0
95.08579	12.2
96.04453	1.0
97.02881	20.8
97.06514	7.8
97.10159	7.5
98.21441	2.1
99.04440	6.3
99.08056	1.0
101.02370	1.4
103.05433	1.1
105.07015	22.5
107.04925	8.9
107.08575	13.1
109.02869	16.2
109.06505	5.6
109.10154	4.3
111.04421	10.8
111.08057	11.4
113.06036	1.6
115.05406	2.4
117.07014	5.4
119.04900	1.4
119.07738	1.5
119.08557	20.0
121.02828	1.3
121.06485	4.1
121.10120	9.2
123.04392	3.9
123.08064	4.2
123.11658	2.7
125.02290	0.8
125.09586	4.3
127.03895	15.1
128.06165	1.2
129.05490	4.4
129.06982	11.7
131.04912	1.8
131.08534	13.2
133.06458	5.4
133.10103	11.3
135.04439	1.5
135.08026	2.1
135.11659	3.4
137.05846	0.9
137.09573	1.9
139.03792	0.8
141.07008	1.0
142.07741	2.6
143.08522	2.3
145.04910	1.1
145.06470	2.0
145.10098	6.2
147.04372	1.6
147.08046	4.8
147.11661	20.6
149.05956	1.2
149.09576	6.3
151.11111	1.4
153.09096	1.6
153.12720	2.4
155.08577	1.1
157.06383	1.5
157.10106	13.2
159.07988	1.1
159.11620	1.2
161.05939	1.6
163.11169	8.1
165.12740	7.2
167.08543	0.9
171.08173	1.1
171.11629	1.9
173.04439	7.9
173.05827	1.6
173.09628	1.8
173.42802	0.8
175.07477	0.9
175.11159	16.3
181.12254	2.6
183.06607	1.1
185.13335	1.1
189.05482	1.1
189.11185	1.0
191.10672	3.0
193.12213	44.5
205.12202	0.8
211.13255	49.8
212.13507	1.0
213.12791	0.9
227.12601	5.9
229.14211	4.8
235.13211	1.6
235.83977	0.8
237.12776	1.0
249.14836	3.1
253.07101	1.1
255.13770	1.2
258.14920	1.5
265.14355	1.2
267.15878	28.6
273.14777	5.0
276.15857	4.0
277.14209	1.4
283.15457	3.3
285.16962	23.4
289.14200	0.9
294.16943	2.6
299.81235	0.7
301.14154	5.4
309.16959	1.5
313.16345	1.2
319.15289	3.6
337.16223	4.2
355.17484	7.2
367.22516	1.9
375.17947	2.4
385.23709	3.8
393.18716	4.1
394.18457	0.9
403.24472	1.0
411.20114	7.9
429.21164	15.3
433.25592	1.1
438.68661	1.0
441.26529	1.2
459.27325	22.0
477.28433	24.3
493.25867	0.8
495.29614	15.4
499.21384	1.2
501.28525	1.3
519.29163	2.5
539.29865	1.6
543.29779	1.8
567.29608	1.8
573.30396	1.9
585.30383	5.7
603.31494	7.8
604.30988	3.4
617.11682	0.9
621.32648	18.3
622.32306	1.1
639.33716	35.6
640.33929	0.9
747.35205	1.7
765.36005	2.5
783.37769	9.1
801.38623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	11.3
57.07058	2.4
59.04992	2.3
61.02914	3.5
63.66837	0.9
65.03919	2.8
67.05493	45.8
68.05843	0.9
69.03419	34.9
69.03796	1.8
69.07057	7.0
70.06584	0.9
71.01337	2.8
71.04979	10.2
71.77863	1.1
73.02908	6.6
74.03635	0.7
77.03948	0.8
79.05481	30.5
80.05804	0.7
81.03405	100.0
81.07043	31.1
81.07430	0.6
82.03738	1.7
82.07352	0.7
83.01334	1.1
83.04971	18.1
83.08611	14.3
85.02400	1.4
85.02896	23.6
85.06542	2.2
86.09682	3.0
87.04417	1.1
87.09995	1.0
91.03952	1.5
91.05466	29.3
93.07024	20.8
93.63878	0.9
95.01311	0.9
95.04345	1.2
95.04951	25.1
95.08587	10.7
97.02880	32.4
97.06509	6.0
97.10153	10.2
99.04441	9.9
101.02357	1.5
103.03936	1.3
103.05460	1.4
105.07015	17.5
107.04946	15.3
107.08577	11.6
109.02865	24.5
109.06529	4.3
109.10137	22.4
110.10487	1.2
111.04426	12.9
111.08074	8.8
113.02314	1.1
115.03919	1.9
115.05448	2.6
117.06994	5.5
119.04906	2.2
119.08565	15.3
121.02879	1.5
121.06485	5.1
121.10114	8.9
123.04404	8.7
123.08076	3.9
123.11718	2.0
125.00030	1.1
125.02402	1.6
125.05985	1.9
125.09601	9.2
127.03901	19.3
127.11140	1.4
128.04144	1.0
128.06201	1.6
129.05463	4.6
129.06967	8.1
131.03413	1.2
131.04936	2.7
131.07669	1.2
131.08559	11.7
133.06505	4.1
133.10104	8.4
135.04396	6.6
135.08000	3.3
135.11668	5.8
137.02325	1.0
137.05959	2.1
137.09561	2.2
139.03868	3.5
141.05461	0.9
141.06931	1.6
142.07753	1.9
143.08556	2.6
143.10628	1.2
145.04951	1.6
145.06468	3.5
145.10112	7.2
147.04414	2.5
147.08015	2.6
147.11659	11.7
149.05925	1.7
149.09586	5.2
149.13237	1.2
151.03906	1.9
153.05412	1.9
153.09058	1.5
153.12666	4.0
155.08560	2.4
155.10695	1.4
157.05135	1.1
157.06499	2.1
157.10101	10.3
159.08063	2.6
159.11729	1.4
161.05959	1.8
161.09697	1.2
163.03894	3.0
163.07536	1.2
163.11156	9.0
165.05522	2.2
165.12732	3.7
167.08545	1.0
167.10640	0.8
171.08015	1.5
171.11676	1.6
173.04459	15.6
173.05937	2.9
173.09602	2.6
173.11757	6.5
173.13039	1.3
175.11166	9.6
177.05492	1.0
177.12738	1.2
181.04860	1.1
181.12257	3.9
183.06424	1.9
183.11673	1.3
183.30347	0.9
184.07344	6.9
185.07710	1.7
185.09741	1.2
185.13240	2.2
187.07535	1.4
187.11084	1.4
189.05513	2.2
189.09348	0.9
189.11194	3.4
191.10597	4.0
193.12212	23.1
194.12540	1.2
199.05965	2.8
199.07573	1.2
199.11313	1.4
199.13246	1.2
201.05363	1.0
201.12703	1.1
205.12224	1.4
209.11664	6.9
211.07684	1.0
211.11240	2.0
211.13258	27.1
212.13571	2.3
215.10707	1.2
217.04962	1.1
217.07059	1.5
217.12122	1.2
217.14389	1.5
219.13618	1.1
223.13292	1.0
227.12718	13.1
229.12137	0.9
229.14296	14.1
230.14661	2.4
231.13713	1.5
235.13409	1.1
243.13832	1.2
247.13264	2.7
249.14879	2.6
251.12708	1.2
253.07114	1.4
255.13614	1.3
255.15977	1.2
261.14764	1.7
267.15878	15.9
268.16309	1.4
273.14795	2.1
283.12646	1.2
283.15359	6.7
285.09982	1.1
285.16959	11.2
286.17239	1.8
289.14395	1.7
301.14252	2.9
301.16992	1.5
309.16724	0.9
317.13632	1.0
319.15475	1.9
321.16711	0.8
327.15576	1.0
335.15121	1.2
337.16345	2.3
353.16104	2.7
355.17447	2.7
355.22806	0.9
361.30112	0.9
371.17120	0.9
373.18793	1.2
383.21899	1.4
387.43781	0.8
391.17523	1.7
393.18814	2.2
403.25000	1.6
409.18634	1.4
409.25558	1.5
411.19998	2.6
421.25742	10.4
422.26147	1.8
427.19339	4.2
429.20953	2.8
429.26810	1.0
439.26852	11.9
440.27148	11.0
441.27029	1.1
445.25705	0.9
446.18051	1.1
447.27228	1.8
457.25824	2.2
459.27386	0.9
463.26688	1.5
465.28497	1.1
475.26898	12.8
476.27393	1.9
477.28207	1.5
493.27814	5.7
505.27924	1.2
517.27905	1.7
529.27771	2.8
545.26666	0.8
547.28735	2.5
565.29834	2.8
583.30780	7.5
585.32953	0.8
585.42847	1.0
601.29749	2.5
619.31244	6.6
637.31903	10.7
655.32800	2.2
745.33600	1.0
781.36914	5.3
799.37335	8.0
800.36926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	0.6
58.06594	0.4
59.58665	0.2
60.08155	5.9
69.60941	0.7
69.61369	1.1
70.06545	0.3
71.06985	0.3
71.07360	3.0
72.53685	0.2
76.35382	0.2
80.06808	0.2
81.07043	0.3
86.09694	31.6
87.10030	0.3
89.58373	0.2
93.07002	0.2
95.08547	0.3
98.21420	0.4
98.98457	3.0
104.10724	3.3
124.99988	20.3
130.08649	0.2
143.01028	0.6
184.07320	100.0
185.07640	0.8
506.84317	0.2
512.79242	0.2
613.47998	0.3
657.84094	0.3
796.54822	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	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
60.08133	0.7
61.02916	7.3
62.25891	0.4
67.05496	7.2
69.03159	0.4
69.03432	5.0
69.07057	1.7
70.46985	0.4
71.01342	0.5
71.04984	0.9
73.02917	6.1
79.05492	4.6
81.03404	2.3
81.07047	8.0
83.08604	0.8
85.02892	8.0
86.09698	1.9
91.03946	5.3
91.05458	2.8
93.07039	5.4
95.08601	6.0
97.02879	6.7
99.04471	1.7
101.02364	3.0
105.07040	2.7
107.08572	3.4
109.02864	1.1
109.10168	2.1
115.03932	0.6
117.07028	0.5
119.08590	1.6
121.10133	2.1
123.11696	0.6
125.00020	1.3
127.03037	0.5
127.03884	2.2
131.08591	1.3
133.10126	1.0
135.11707	1.6
138.04027	0.4
145.10103	1.1
147.11693	0.6
149.13228	0.9
159.11707	0.6
184.07310	5.7
185.04251	1.1
203.05356	1.1
243.08293	2.5
335.26154	0.6
340.39218	0.5
368.42578	0.5
368.51089	0.5
519.29230	12.5
520.30139	0.8
797.51672	100.0
798.52051	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	796.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.8
57.03403	0.1
58.06624	0.4
59.07385	0.1
60.08155	6.7
67.05499	0.3
69.07058	0.2
70.06590	0.1
71.07362	3.5
71.81995	0.1
79.05488	0.1
81.07039	0.4
82.17655	0.1
83.08590	0.1
84.08141	0.4
85.09505	0.1
86.09693	32.7
87.10010	0.4
91.05463	0.3
93.07023	0.2
95.04941	0.1
95.08582	0.2
98.98447	3.4
99.08160	0.1
104.10726	2.3
105.06976	0.1
107.08601	0.1
109.10129	0.2
109.59188	0.1
116.99454	0.1
119.08596	0.1
124.99984	21.3
126.00304	0.1
130.08643	0.4
132.82050	0.1
133.10135	0.1
143.00998	0.4
158.72707	0.1
166.02620	0.3
184.07317	100.0
185.07668	1.0
186.07791	0.1
199.99696	0.1
520.33807	0.2
637.12396	0.1
778.53723	4.1
779.52826	0.2
796.53339	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	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05000	0.8
57.03429	2.8
57.07051	0.7
58.06583	1.3
59.07346	1.1
60.08152	5.7
61.02908	5.5
62.10698	0.4
64.35575	0.4
66.91872	0.5
67.05494	5.9
67.15752	0.4
68.05806	0.5
69.03426	4.0
69.07056	2.4
71.01333	1.1
71.04969	1.1
71.07361	2.9
71.80994	0.7
73.02906	4.2
79.05482	4.8
81.03006	0.4
81.03403	4.5
81.07043	5.4
83.01060	0.5
83.04941	1.5
83.08598	2.0
83.71643	0.4
85.02450	0.5
85.02892	6.6
85.06517	0.5
86.09692	26.8
87.10022	3.7
91.03947	4.5
91.05454	3.9
93.07034	3.8
95.04951	2.7
95.08595	2.5
97.02877	5.5
97.06494	1.2
97.10127	1.1
98.98450	2.4
99.04410	1.1
99.08031	0.6
101.02373	2.1
103.03912	0.4
104.10721	3.3
105.07031	2.4
107.04921	0.9
107.08574	3.0
109.02795	1.3
109.06437	1.1
109.10169	2.4
111.08047	1.0
115.03849	0.8
117.05481	0.5
117.07006	1.0
119.08572	2.2
121.06432	0.6
121.10112	1.4
123.04349	0.6
124.99984	16.2
125.09576	0.8
126.00298	1.3
127.03870	2.6
129.05435	2.0
129.06975	0.7
131.08511	1.0
133.10072	1.7
135.11664	1.9
137.09636	0.5
139.03815	0.4
141.65137	0.4
143.08559	0.5
145.10127	1.0
147.11638	1.5
149.02344	1.3
149.09564	0.5
151.11278	0.5
157.10040	0.6
159.11617	0.5
163.11217	0.4
172.27292	0.4
175.11160	1.1
181.04721	0.6
184.07317	100.0
185.04204	5.3
185.07666	14.6
187.03181	0.4
191.10788	0.4
193.04832	0.8
193.12213	0.8
199.05798	0.7
199.13295	0.4
200.19987	0.9
201.03625	1.1
203.05267	0.9
211.13332	0.7
222.08939	0.9
223.09262	0.5
223.13202	0.8
229.14326	0.7
241.06866	0.6
243.08330	4.4
251.12524	1.7
255.15977	0.6
259.07858	0.6
263.12665	1.3
277.14261	0.9
285.16830	0.6
291.15570	0.6
301.08929	11.9
313.09021	0.6
315.10446	3.3
315.19290	0.4
327.10574	1.2
329.12222	0.5
333.20209	5.0
341.12125	0.7
343.13605	0.6
349.16467	0.6
355.13544	1.0
357.15210	0.8
367.17136	0.5
369.15250	1.6
371.16742	1.8
373.10925	5.5
373.23511	1.5
383.16821	1.6
385.18311	6.0
387.12656	1.4
395.16812	0.6
413.17935	1.3
415.15744	1.2
428.39380	0.5
429.17233	3.7
431.24026	2.6
439.19409	6.1
443.18747	2.1
449.25516	0.5
453.20898	1.2
455.18973	0.6
457.20496	0.8
469.20456	10.3
470.20639	0.5
477.24811	1.9
481.20364	3.4
483.22217	0.6
485.19934	1.7
499.21124	2.9
511.21750	0.8
515.33105	2.0
527.27997	0.6
528.21857	1.6
533.26361	0.7
541.22467	8.2
541.29865	0.8
542.22931	0.6
549.27051	0.7
551.28314	6.0
552.28510	0.5
567.27869	0.8
569.26465	0.6
583.30798	1.2
593.30066	0.6
597.28711	0.8
610.29297	0.9
611.30328	1.1
612.31158	1.3
623.30243	3.7
625.31866	1.1
637.32074	1.5
639.33069	0.5
641.31305	1.5
651.33691	1.2
665.34778	1.4
667.32880	9.9
679.33057	0.6
693.38318	2.2
697.33942	1.0
709.33960	12.5
735.39429	0.6
749.40649	3.3
761.42328	0.8
777.39954	3.2
778.41125	0.9
795.41235	91.2
796.41528	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	794.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	16.0
57.07067	7.0
61.02899	4.0
65.03918	2.9
65.40919	1.3
65.94770	1.2
67.05495	98.5
69.07059	34.4
71.04974	2.6
71.08616	3.7
73.02918	1.9
74.10348	1.2
79.05482	41.3
81.07044	94.8
83.04962	1.5
83.08603	20.7
85.02892	3.6
85.06520	3.4
85.10179	1.9
87.04454	3.8
91.05463	24.9
93.06436	2.3
93.07033	51.4
95.04950	4.6
95.08594	78.7
96.08907	1.6
97.02869	2.5
97.06511	3.7
97.10142	9.2
99.08046	1.5
105.06340	1.8
105.07014	22.8
107.08578	30.2
109.10137	37.3
111.08087	2.6
111.11706	1.8
113.09659	1.5
117.07010	5.2
119.08562	18.9
121.10131	26.3
123.08053	1.6
123.11671	11.6
125.09585	2.1
128.90828	1.2
131.08542	11.8
133.10107	16.4
135.11681	18.2
137.09616	1.3
137.13232	4.6
139.11133	1.6
143.08504	1.9
145.10136	10.0
147.11674	12.7
149.09583	1.9
149.13240	11.0
151.14751	2.0
156.83528	1.2
157.10110	2.1
159.11693	7.4
161.13210	9.0
163.11153	1.6
163.14790	7.9
166.05745	1.7
170.71152	1.3
171.11696	1.3
173.13239	6.4
175.14799	4.8
184.07359	3.2
185.13185	1.8
187.14806	3.5
189.16341	2.5
201.16322	1.9
215.17830	1.4
233.22678	1.7
241.19652	2.0
243.21066	7.9
245.22604	2.9
247.24329	1.2
250.20320	1.3
259.20544	5.2
261.22098	23.7
263.23599	5.2
271.20547	1.2
279.23151	1.7
316.79791	1.3
317.24545	3.5
333.24210	3.8
335.25757	88.0
336.26108	3.0
337.27328	100.0
338.27808	2.5
339.28806	7.6
491.37012	1.6
523.44904	3.2
531.39587	1.1
541.46124	2.3
597.48694	38.1
598.48883	2.2
615.49762	34.0
616.49738	1.7
746.66998	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.7
57.03423	0.2
58.06316	0.2
58.06624	0.4
59.07383	0.2
60.08155	5.9
61.02917	0.2
65.03935	0.1
67.05499	1.0
69.03419	0.2
69.07056	0.4
70.06580	0.2
71.04983	0.3
71.07365	3.3
71.79607	0.1
71.79981	0.1
73.02934	0.1
79.05478	0.7
80.05838	0.1
81.03413	0.7
81.07054	0.8
82.03745	0.1
83.04987	0.3
83.08620	0.3
85.02892	0.3
86.09695	30.6
87.10031	0.3
91.05464	0.8
93.07034	0.7
93.37466	0.1
95.04970	0.5
95.08610	0.4
97.02878	0.3
97.06540	0.2
97.10168	0.1
98.98454	2.8
99.08082	0.1
99.47612	0.1
104.10729	3.1
105.07015	0.5
105.89723	0.1
107.04940	0.2
107.08594	0.5
109.06528	0.2
109.10143	0.4
116.49745	0.1
117.07034	0.2
119.08564	0.3
121.06480	0.1
121.10099	0.2
124.99988	20.3
125.09627	0.1
127.03897	0.1
131.08566	0.2
133.10109	0.3
135.04373	0.1
135.11636	0.2
143.01065	0.4
143.08450	0.1
145.10179	0.1
147.11740	0.2
149.02397	0.1
149.09637	0.1
163.03882	0.1
166.02667	0.2
184.07320	100.0
185.07663	1.1
211.13258	0.1
267.15875	0.3
269.17450	0.2
285.17212	0.1
439.26132	0.1
461.28696	0.3
469.20474	0.1
479.29807	0.1
534.31305	0.1
543.36646	0.2
561.36578	0.1
579.37347	0.1
644.35474	2.1
645.35211	0.1
708.41705	0.1
726.43323	0.8
727.43750	0.1
744.44354	7.5
745.44574	0.5
748.35815	0.2
794.41089	0.9
794.58704	0.1
795.40735	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05504	15.7
57.03160	0.7
57.03431	11.0
57.07069	2.9
59.05008	0.4
61.02909	3.2
65.03938	2.8
67.05495	67.2
69.03412	1.3
69.07062	15.2
70.76183	0.4
70.98084	0.9
71.04986	1.9
71.08631	0.7
73.02934	1.0
77.03894	0.6
79.05482	39.9
80.05847	0.4
81.03387	0.5
81.07044	65.6
82.07401	0.6
83.04957	1.5
83.08607	8.9
85.02905	3.2
85.06540	1.6
91.03948	1.7
91.05028	0.4
91.05468	22.6
93.07031	47.6
94.07382	0.7
95.04964	4.9
95.08592	48.3
96.08920	0.6
97.02893	2.2
97.06517	2.6
97.10161	3.7
99.08087	1.2
99.43970	0.4
103.05433	0.6
105.04563	0.6
105.07016	19.3
106.51793	0.4
107.08579	26.8
109.06520	1.7
109.10142	23.0
111.08090	1.2
111.11729	1.0
113.09635	0.7
117.07008	6.2
119.08562	15.8
121.10130	23.3
122.41508	0.5
123.08067	1.5
123.11700	9.2
125.09636	1.1
129.06984	2.2
130.07716	0.6
131.08551	12.0
133.10112	13.5
135.07977	0.5
135.11673	15.1
137.09615	1.0
137.13210	3.1
139.11137	0.8
143.08553	2.2
144.09328	0.5
145.10106	12.2
147.11659	11.2
149.09637	1.0
149.13235	9.2
151.11125	0.6
151.14787	0.9
153.12727	0.8
155.08554	0.5
157.10126	1.7
159.11676	9.6
161.13251	8.1
163.11189	0.5
163.14780	5.5
165.12703	0.4
165.16510	0.5
171.11711	2.4
173.11807	0.3
173.13242	8.7
175.14821	4.3
177.16396	2.4
183.11627	0.5
184.07375	0.6
185.13243	2.4
187.14780	3.3
189.16386	1.4
191.17926	0.8
192.82248	0.4
199.14714	2.2
201.16373	1.3
203.17950	0.7
205.16040	0.6
213.16428	0.8
219.17314	0.5
231.17496	0.5
231.21036	0.9
233.22609	0.9
241.19518	3.7
243.21025	5.4
245.22520	0.7
257.18979	0.6
259.20535	7.5
261.22128	18.3
262.22516	0.5
263.23660	1.9
271.20404	0.6
277.21811	0.5
279.23138	1.4
287.23648	0.5
299.23563	1.0
315.23224	0.8
317.24786	2.8
327.27124	0.6
333.24213	7.2
335.25754	100.0
336.26126	4.3
337.27350	11.8
337.31488	0.6
338.27686	0.6
341.28400	0.6
353.26932	0.4
386.54788	0.4
424.65256	0.4
503.36505	0.5
517.39142	0.4
521.43726	2.3
531.39917	0.5
539.44379	1.0
543.40411	0.6
595.47137	15.7
596.47284	1.3
613.48169	14.2
614.48474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.3
55.05505	21.9
57.03160	1.1
57.03428	17.1
57.07071	1.9
59.04987	1.2
61.02911	1.8
65.03925	3.2
67.05496	56.9
67.62299	0.8
69.03422	6.5
69.07059	22.7
71.01365	0.9
71.04980	7.3
71.81779	1.0
73.02893	1.5
79.05485	45.8
81.03409	63.1
81.07045	78.0
83.04507	1.4
83.04971	16.9
83.08608	36.3
85.02896	22.1
85.06527	5.1
86.09695	2.2
87.04478	1.0
91.03975	1.9
91.05469	46.3
93.07034	45.4
93.68433	0.8
95.04958	29.3
95.08002	1.5
95.08593	24.8
97.02908	5.0
97.05950	1.1
97.06521	13.4
97.10157	8.5
99.08071	3.3
103.05423	1.0
103.19601	0.9
105.07013	34.5
105.07719	1.8
107.04944	11.8
107.08575	28.6
109.06512	11.0
109.10144	13.1
111.04407	2.7
111.08060	16.8
113.05981	2.2
113.09629	1.9
115.05426	2.1
117.06995	11.4
119.04893	1.4
119.08569	33.5
121.06512	5.0
121.10120	20.7
123.08057	5.5
123.11695	6.3
124.99997	1.3
125.09618	4.8
127.03896	1.6
127.07502	1.6
129.06990	12.8
131.08551	22.3
133.06461	3.4
133.10114	24.1
135.08072	4.1
135.11661	7.4
137.09596	3.7
139.11180	1.2
141.06947	1.7
142.07780	2.1
143.08548	2.9
143.62796	0.9
145.06505	1.2
145.10118	12.3
147.08075	4.5
147.11668	26.3
149.09610	12.9
149.13213	12.1
151.11224	2.2
155.08545	1.8
157.10110	15.4
159.08134	1.2
159.11688	11.4
161.09538	1.0
161.13264	2.9
163.11130	6.2
165.12695	4.6
166.73759	0.8
167.07013	1.6
169.09995	1.9
171.11658	2.2
173.11736	2.0
173.13213	2.5
175.11177	15.9
175.14764	1.0
177.12715	3.9
179.14284	1.1
183.11617	2.1
184.07330	10.1
185.13225	1.6
187.11172	1.5
189.11191	2.5
193.12216	42.7
195.13786	3.4
199.14851	1.0
211.13269	46.7
215.17941	1.2
217.15817	1.1
227.12727	5.2
229.14281	4.5
229.19434	1.9
239.17880	2.2
247.20586	1.9
257.19046	7.0
267.15900	32.2
269.17429	28.9
275.20041	35.1
285.16928	63.2
293.21060	6.5
349.23730	29.1
367.24817	13.7
413.21393	1.0
421.25681	2.4
433.29269	1.7
439.26926	14.2
443.27740	4.0
461.28912	37.5
462.29105	1.2
467.31183	1.7
479.29999	100.0
480.30112	3.4
506.78717	1.2
541.26849	1.6
541.35199	28.3
542.35474	1.6
559.36243	57.3
560.36401	2.0
577.37341	24.5
583.30542	1.0
605.33167	2.0
623.34204	6.1
792.38293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86442	0.1
56.05029	0.6
57.07056	0.1
58.06611	0.5
59.07370	0.1
60.08154	5.8
67.05481	0.1
69.07044	0.1
70.06568	0.1
71.07360	3.4
71.08600	0.1
73.29095	0.1
80.97451	0.1
81.07024	0.1
86.09691	29.0
87.10038	0.1
93.07033	0.1
98.21471	0.1
98.98450	2.6
104.10720	2.6
116.99496	0.1
124.99984	19.1
129.19093	0.1
143.01021	0.2
144.51456	0.1
146.08119	0.1
166.02673	0.2
169.48248	0.1
184.07312	100.0
185.07623	0.6
220.33615	0.1
296.38107	0.1
374.33160	0.1
429.00827	0.1
496.34061	0.2
690.46979	2.0
754.53406	0.2
772.54773	1.0
790.42175	0.2
790.55713	3.8
791.56146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
55.05505	22.5
56.52554	1.0
57.03432	10.4
57.07066	2.3
59.04990	2.1
61.02913	1.8
62.23270	1.0
65.03925	2.8
65.54399	0.9
67.05498	46.4
69.03423	3.2
69.07061	13.9
70.93098	2.7
71.04989	8.1
73.02908	0.9
79.05485	45.2
79.85326	0.7
81.03410	43.9
81.07048	41.4
83.04986	7.6
83.08610	15.1
85.02896	3.1
85.06536	3.8
86.09679	2.0
90.08155	0.8
90.34808	0.9
91.03954	1.3
91.05468	43.9
93.07035	46.1
95.04435	0.5
95.04958	17.4
95.08598	30.3
97.02886	3.4
97.06512	6.6
97.10162	10.0
99.08102	2.6
103.05439	1.7
105.07018	39.9
107.04934	7.1
107.08585	24.6
109.06515	5.0
109.10150	13.4
111.04443	1.5
111.08066	5.1
115.05437	1.8
117.07007	15.7
119.04929	1.0
119.08569	37.4
121.06525	4.1
121.10136	18.6
123.08064	5.5
123.11707	4.5
125.00011	1.4
125.09607	7.6
128.06235	1.9
129.05492	1.1
129.06996	14.5
130.07751	1.4
131.08549	26.4
133.06494	2.1
133.10112	25.3
135.08031	4.8
135.11665	10.7
137.09619	3.4
138.83452	0.8
141.07018	3.4
142.07764	2.2
142.47897	0.8
143.08536	12.3
145.06421	1.2
145.10100	16.0
147.08034	3.6
147.11661	18.7
149.09575	4.9
149.13251	4.6
151.11183	2.3
153.09148	1.4
154.07764	1.0
155.08553	4.7
156.09357	1.6
157.10127	16.4
159.08067	1.6
159.11659	15.3
161.09633	2.2
161.13217	9.2
163.11180	3.6
163.14917	0.9
165.12752	1.3
167.08553	2.2
168.09335	0.8
169.10104	6.9
171.11642	9.9
173.09584	1.9
173.11794	1.8
173.13199	7.7
175.11139	5.1
175.14830	3.5
177.12700	1.0
179.08469	0.9
181.10121	4.2
181.12218	1.0
183.11690	7.1
184.07341	8.5
185.09579	1.2
185.13226	8.6
187.11264	1.9
187.13362	1.1
187.14816	4.1
189.11224	3.8
189.12794	1.6
193.10358	1.4
193.12259	6.2
195.11758	3.9
197.13171	3.9
199.14836	5.5
201.12732	1.3
201.16403	1.4
203.14339	1.6
209.11559	1.0
209.13269	3.3
211.14861	2.1
213.16438	2.2
217.15959	1.4
217.19492	0.9
221.13297	2.1
223.14888	2.0
225.16455	1.3
227.12688	6.8
229.14220	2.4
231.21219	1.2
233.15363	1.8
235.14940	1.2
237.16472	1.5
241.19521	4.3
243.15930	1.5
244.78386	0.9
257.18994	2.0
259.15137	1.0
259.20544	15.1
260.65387	0.9
261.10104	0.9
267.15860	15.9
269.17499	3.1
273.18665	1.6
275.20175	2.5
281.22684	1.3
283.15280	2.3
283.20593	1.7
285.22253	1.2
287.20187	1.1
291.19672	1.1
293.21356	1.0
297.22241	1.2
299.20370	0.9
299.23590	4.8
301.21701	2.0
313.21774	1.0
315.23187	1.2
325.21634	1.0
331.22586	1.2
333.24182	7.6
339.23004	1.1
343.22714	1.0
349.24106	1.2
357.24118	1.3
403.24783	1.5
407.24484	2.0
410.62137	0.9
415.29968	2.1
417.26129	1.2
421.25772	6.5
423.27267	1.9
433.30978	8.4
435.27371	5.5
437.29367	1.2
449.28857	1.9
451.32104	9.2
461.28857	1.1
463.30692	1.7
465.33392	0.9
469.33115	5.0
477.28653	2.2
495.28793	1.1
495.34619	1.0
499.34143	1.1
503.33221	1.0
507.34897	4.7
515.36926	1.0
517.35260	3.0
525.35706	51.5
526.35742	1.1
541.35077	1.7
543.36755	100.0
544.37134	3.7
557.38434	12.1
575.39435	17.1
633.37537	1.3
669.39935	1.7
705.41858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.7
55.05504	39.3
57.03156	1.9
57.03428	19.9
57.07057	4.3
59.04992	37.4
60.08147	1.4
61.02913	3.7
65.03921	3.9
67.05495	100.0
68.05833	1.3
69.03429	6.0
69.07056	16.9
70.17451	4.0
71.01313	1.1
71.04983	13.9
71.07373	1.1
71.08623	1.8
73.02884	2.1
73.06530	1.2
79.05482	48.1
81.03404	6.8
81.07046	63.5
83.04961	6.2
83.08611	17.2
85.02885	6.5
85.06528	3.6
86.09694	9.3
87.04456	54.7
89.06005	2.7
91.04925	1.9
91.05468	28.1
93.07031	46.2
95.04968	8.0
95.08593	43.1
97.02874	5.7
97.06510	4.6
97.10158	17.0
97.11943	1.0
98.21305	1.4
99.04445	15.1
99.08070	2.0
101.05995	1.4
105.07010	17.6
107.04925	1.9
107.08582	24.7
109.06487	4.3
109.10143	62.1
111.04436	2.1
111.08034	5.1
115.03960	1.4
117.07003	6.4
119.08566	17.5
121.06475	2.8
121.10133	19.4
123.08047	2.5
123.11688	5.4
124.99976	5.6
125.06059	1.2
125.09625	13.3
127.03886	1.5
129.06964	2.9
131.08572	10.9
133.08557	1.7
133.10112	8.9
135.08049	1.2
135.11682	14.9
137.09619	3.0
139.11200	1.5
143.08511	1.8
143.10701	1.7
145.10118	9.3
147.11656	8.5
149.09608	1.3
149.13228	5.9
153.12773	1.2
155.10640	3.5
157.10089	3.1
157.12273	1.3
159.11665	7.2
161.13225	4.8
163.11188	5.5
163.14775	3.3
171.11665	1.9
173.11720	17.9
173.13245	5.4
175.14822	2.0
177.12701	1.5
183.11732	1.1
184.07304	29.2
185.13231	1.4
187.14754	2.4
189.11208	1.3
191.10626	1.6
193.12219	2.4
195.11829	1.0
199.13254	11.8
199.14828	1.2
209.11661	2.5
217.14346	2.2
223.13229	2.1
227.12704	5.5
229.14331	45.3
241.14279	4.0
243.21001	3.7
257.13791	3.5
259.15347	1.4
259.20511	1.5
261.22098	12.7
267.15799	5.8
271.20648	1.5
275.20206	2.2
277.21625	2.8
315.17877	7.4
317.24545	1.6
333.19360	1.5
333.24185	2.1
335.25754	57.7
336.25967	1.6
351.25110	2.0
363.25134	4.4
419.27435	1.2
433.30679	1.1
444.51895	1.0
459.34583	2.4
477.35663	15.5
489.35699	49.9
491.37473	2.3
507.37015	1.4
531.40289	8.2
543.36719	4.3
561.37805	2.3
575.39178	3.8
593.40643	1.6
613.48383	6.4
631.49023	2.6
760.53748	1.2
784.61743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.5
55.05505	35.7
57.03164	1.1
57.03433	19.5
57.07068	2.6
59.04994	35.6
60.08170	0.9
61.02920	3.9
65.03928	3.9
67.05496	100.0
68.05827	1.0
69.03423	4.6
69.07058	14.5
71.04985	12.1
71.08626	1.1
71.81123	0.8
71.81512	0.8
73.02914	0.8
73.50751	0.7
79.05487	39.9
81.03408	7.6
81.07047	55.6
83.04958	5.5
83.08611	15.5
85.02896	6.5
85.06531	4.0
86.09696	6.1
87.04457	58.3
89.06018	1.3
91.03939	1.5
91.05467	23.8
93.07035	39.4
95.04981	5.8
95.08595	37.3
97.02860	4.0
97.06536	2.8
97.10156	16.7
99.04445	15.3
99.08074	1.6
103.03967	0.9
105.04569	0.7
105.07031	15.0
107.04957	2.6
107.08584	26.1
109.06513	2.5
109.10143	55.8
111.04433	1.6
111.08067	3.6
113.06092	0.7
115.03952	2.0
117.07001	5.0
119.08569	15.3
121.06545	1.6
121.10136	17.9
123.08080	3.2
123.11662	4.1
124.16965	0.8
125.00002	4.0
125.06020	0.7
125.09623	14.3
127.03938	1.3
129.07031	2.5
131.08551	10.9
133.10126	11.0
135.07991	1.4
135.11682	12.1
137.09622	2.8
137.13245	2.2
139.11185	0.9
143.08586	1.2
143.10692	1.6
145.10120	8.0
147.11684	6.5
148.76137	0.7
149.09663	2.4
149.13261	4.2
153.12868	0.8
155.08580	0.7
155.10669	2.1
157.10127	1.5
159.11665	5.5
161.13229	4.9
161.25476	0.8
163.11182	4.7
163.14865	2.3
165.12767	1.1
171.11731	1.9
173.09541	0.8
173.11765	14.5
173.13287	3.9
175.11235	1.8
175.14827	2.1
177.16373	0.8
181.12146	1.2
183.11792	0.9
184.07320	18.2
184.08922	1.1
185.13185	0.8
187.14841	1.8
189.11171	1.0
191.10712	2.5
191.14265	0.8
193.12308	2.8
195.13660	0.7
197.13344	1.1
199.13237	10.0
199.14813	0.9
207.07440	0.9
209.11726	2.1
211.13220	1.6
211.15031	1.1
217.14308	1.2
223.13324	2.5
227.12700	6.7
229.14308	40.3
229.69562	0.9
233.22812	0.8
241.14468	3.4
241.19540	1.1
243.21086	3.6
257.13919	1.8
259.15500	1.3
259.20670	1.8
261.22092	11.4
267.15887	6.2
277.21698	1.8
283.15445	1.3
289.21680	2.1
299.23938	1.1
315.18015	9.8
317.24838	2.5
327.23257	1.2
333.19116	1.5
335.25766	53.9
336.26224	1.7
351.25156	2.0
363.25281	3.5
401.71902	0.8
459.34662	0.9
477.35779	17.2
489.35733	44.4
490.36298	1.0
491.37396	2.8
517.35529	1.7
525.36237	0.9
531.40216	1.3
543.36884	2.2
561.38019	1.3
575.39618	3.0
593.40424	2.8
613.48157	3.1
631.49750	1.5
790.57745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.6
55.05505	46.3
57.03166	1.7
57.03428	25.2
57.07060	4.1
59.04980	2.7
61.02911	7.6
65.03938	5.4
66.04655	0.8
67.05495	100.0
68.05824	0.9
69.03089	1.3
69.03423	13.9
69.07060	50.2
70.07363	0.9
70.99506	1.7
70.99909	1.6
71.01330	2.3
71.04983	8.2
73.02903	6.3
73.20049	0.8
77.03930	1.0
79.05483	72.6
80.05810	1.0
80.06245	1.0
81.03407	54.7
81.07044	94.7
82.03741	0.9
82.04201	4.2
83.04971	27.5
83.08609	30.3
84.05758	1.0
85.02892	20.1
85.06538	5.5
86.09697	1.9
87.04446	1.2
91.03941	2.3
91.05469	79.4
92.05773	1.3
93.07034	71.1
94.04158	0.8
95.04333	1.0
95.04957	36.6
95.08591	46.0
97.02884	12.4
97.06519	23.7
97.09574	1.3
97.10152	16.0
98.07312	4.1
99.04440	3.0
99.08102	5.1
103.04031	1.1
103.05437	2.7
105.04470	1.4
105.07016	55.6
107.04931	19.4
107.08582	38.8
107.73051	1.0
109.02840	3.4
109.06510	11.9
109.09405	1.8
109.10144	31.9
110.07280	1.3
111.04452	4.6
111.08068	14.4
113.05993	2.5
113.09660	2.0
115.05418	3.0
116.04691	6.7
116.06193	0.9
117.06997	19.5
119.04958	1.4
119.08566	41.8
121.06503	8.0
121.10122	27.1
123.08052	11.4
123.11680	5.6
125.05978	1.4
125.09609	18.7
127.03882	3.8
127.07535	1.3
127.11171	1.8
128.06187	1.8
129.05464	22.3
129.06970	14.9
130.07768	1.0
131.08548	31.6
133.06479	4.9
133.10117	36.7
134.10460	1.2
135.08052	7.3
135.11681	17.4
137.09605	15.4
139.07518	1.1
139.11192	1.9
141.06969	2.7
142.07762	3.0
143.07016	5.5
143.08559	5.5
143.10686	1.1
145.05013	1.7
145.06480	2.1
145.10107	22.3
147.08009	5.7
147.11668	22.5
149.06001	0.8
149.09596	26.1
149.13239	11.2
151.07507	1.2
151.11137	5.1
153.09035	1.0
153.12729	1.2
155.08527	3.5
155.10597	1.9
157.08591	9.9
157.10106	15.2
158.05823	1.0
159.07991	1.6
159.11679	14.9
161.09587	2.8
161.13269	5.7
163.07510	1.0
163.11163	16.4
165.09103	0.9
165.12729	4.7
169.10100	2.4
171.06491	2.4
171.10147	4.0
171.11676	3.4
173.04466	2.0
173.09592	2.6
173.11711	6.0
173.13249	5.9
175.11131	12.1
177.12732	5.4
179.14264	3.0
181.12254	2.8
183.11699	2.9
184.07341	6.9
184.13275	1.0
185.07991	1.1
185.13239	1.9
187.11133	3.4
187.14828	1.3
189.11201	8.8
189.12697	1.7
189.16376	0.8
191.10658	1.1
193.12218	37.2
194.12627	1.3
195.13792	7.4
197.13223	2.7
199.11447	1.6
199.13232	8.5
199.14888	1.3
200.14029	2.1
201.12694	1.2
205.12350	1.1
209.11708	4.7
211.13268	38.1
213.14743	1.6
215.14497	1.1
217.15981	1.0
223.13284	2.0
227.12749	12.4
229.14288	8.2
229.19492	3.0
233.15187	1.1
239.17987	1.9
241.14360	1.0
247.20502	2.6
253.14308	3.5
253.18028	1.8
255.15820	11.4
257.18970	8.5
267.15875	21.6
269.17435	21.3
273.18430	3.7
275.20023	34.5
283.15405	6.1
285.16931	27.8
287.20056	1.0
291.19556	6.1
293.20990	2.7
299.15012	1.0
301.16418	50.2
302.16522	1.8
321.24130	1.6
323.18582	1.0
331.22607	2.5
333.24271	0.9
339.18225	1.2
347.22260	1.1
349.23688	37.4
350.23938	2.1
365.23181	3.2
367.24667	2.8
381.22760	2.7
383.24387	1.5
393.26212	1.9
409.25684	2.6
411.27194	1.1
413.21887	1.5
421.25671	3.4
423.27405	7.0
437.25458	1.1
439.26929	11.4
443.27643	0.8
447.27567	1.9
461.28912	3.9
463.30579	2.7
465.28375	1.3
477.28418	3.1
478.29123	2.5
479.29666	2.2
481.27914	11.7
495.29440	28.8
496.29602	1.8
523.34320	1.0
541.34973	9.4
557.34521	4.4
558.35010	1.0
559.36249	20.4
560.36414	2.3
575.35706	15.2
577.37250	2.5
593.36902	4.1
639.33112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01637	1.4
55.01863	15.5
55.05253	2.6
55.05503	43.6
56.12477	1.3
57.03428	28.9
57.07057	4.9
58.81897	1.1
59.04972	1.6
61.02919	7.0
62.81260	1.2
65.03923	3.6
67.05495	91.7
69.03421	17.2
69.06700	1.9
69.07060	33.7
69.65296	6.2
69.65736	4.6
71.01332	3.8
71.04984	11.9
73.02894	5.0
79.05482	78.4
80.06294	1.1
81.03410	64.4
81.07046	100.0
82.04174	3.1
82.07370	2.2
83.04970	31.7
83.08608	34.5
85.02898	20.8
85.06519	7.4
86.09679	4.7
87.04461	1.6
89.57462	1.0
91.03932	2.5
91.05466	77.7
92.05759	1.5
93.07031	77.6
94.04169	1.2
95.04961	43.1
95.08592	43.5
97.02883	12.8
97.06517	22.4
97.10156	16.3
98.07301	3.8
99.04446	3.8
99.08073	4.1
103.05459	3.3
105.07017	53.9
107.04949	19.7
107.08583	37.4
109.02882	2.8
109.06508	12.3
109.10152	20.3
111.04421	4.3
111.08065	18.9
113.05981	2.8
113.09638	2.1
115.03893	1.6
115.05434	3.9
115.07564	1.4
116.04691	7.7
116.06144	1.6
117.06991	17.8
119.04959	2.1
119.07751	2.4
119.08566	37.6
121.06493	9.1
121.10123	23.0
121.83112	1.2
123.04383	2.4
123.08051	16.2
123.11665	6.1
124.99973	2.5
125.09605	16.4
127.03894	4.9
127.07575	1.7
128.06194	2.2
128.23000	1.5
129.05469	20.7
129.06970	17.2
130.07788	1.9
131.08545	27.8
133.06462	4.3
133.10114	41.7
135.08052	8.3
135.11668	26.5
137.09579	7.1
139.07455	1.8
141.06972	1.9
142.07767	4.4
143.07025	4.8
143.08499	5.9
143.10677	1.6
145.06404	1.4
145.10081	20.7
147.08041	8.1
147.11667	25.4
149.09595	13.7
149.13252	15.4
151.07475	1.8
151.11127	7.5
153.09122	1.6
153.12735	3.1
155.08569	2.9
157.08606	7.7
157.10110	17.8
159.07973	1.4
159.11693	13.0
161.09593	3.2
161.13225	3.4
163.11140	16.4
165.12717	6.5
169.10103	2.2
171.06519	2.1
171.10155	3.7
171.11671	4.3
173.04399	4.3
173.09505	2.7
173.11751	4.3
173.13264	3.6
175.11133	16.3
177.12714	4.2
179.10640	1.5
179.14313	1.9
181.12215	5.8
183.11676	2.7
184.07292	16.5
185.11621	1.7
185.13179	1.8
187.11209	2.4
187.13252	2.6
187.14804	1.8
189.11203	7.1
191.10629	3.3
193.12222	44.7
195.11911	1.7
195.13763	8.1
197.13246	1.9
199.13275	9.0
209.11655	6.1
209.66216	1.3
210.12431	1.6
211.13261	48.7
211.15207	2.8
212.13597	1.7
213.14722	1.9
219.13730	1.5
224.18225	1.2
227.12703	12.4
227.17830	1.8
229.14259	3.3
243.15883	5.2
247.20587	2.0
249.14908	1.4
251.16460	1.5
253.14322	7.9
255.15839	30.1
257.04330	1.7
257.18890	3.7
265.14194	2.7
267.15872	36.9
268.16476	3.1
269.17450	34.2
273.15717	1.2
273.18353	6.4
275.20026	18.9
283.15396	9.4
285.13940	2.4
285.16922	34.3
291.19641	8.0
301.16415	52.9
302.16748	1.6
309.20456	1.4
321.24344	1.3
323.18604	2.0
331.22565	1.9
349.23718	13.9
365.23148	5.0
393.26303	2.4
409.25531	2.2
411.27304	3.1
413.21725	1.4
423.27393	11.9
435.27246	3.5
447.27350	7.2
453.28113	4.0
459.27148	2.7
460.28061	2.7
461.28934	5.9
463.30945	2.0
465.28452	9.1
477.28342	8.4
478.29153	4.5
479.30148	5.0
481.27994	9.4
495.29449	35.4
496.29437	1.8
519.30402	1.5
541.35223	2.9
557.34534	6.9
559.36102	4.1
575.35522	12.9
576.35651	1.6
593.36700	3.0
607.32343	1.4
790.94708	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.7
55.05506	42.5
55.83158	1.1
57.03156	2.2
57.03432	34.0
57.07060	2.9
59.04994	3.8
61.02910	7.8
65.03925	5.2
67.05499	91.9
67.14148	1.1
69.03420	24.2
69.07058	61.6
69.72150	9.3
71.01352	1.5
71.04983	29.8
73.02897	7.7
73.06555	1.5
77.03899	1.1
79.05487	87.5
80.05840	1.3
81.03410	86.5
81.07049	94.5
82.07405	2.1
83.01339	3.5
83.04504	2.4
83.04974	36.0
83.08608	39.6
85.02895	38.1
85.06548	7.4
86.09694	3.5
87.04456	2.3
91.03947	3.0
91.05471	89.1
93.07034	81.8
94.07366	1.5
95.04960	46.5
95.08598	44.9
97.02892	15.6
97.06522	100.0
97.10155	15.1
99.04455	6.8
99.08089	9.6
103.03886	1.4
103.05447	2.7
105.04531	1.7
105.07020	68.8
106.07375	2.1
107.04947	24.3
107.08584	45.7
109.02875	5.4
109.06513	30.5
109.07209	1.1
109.10143	21.4
111.04408	6.7
111.08073	17.2
113.05999	5.3
115.05445	4.3
115.07558	32.3
116.06249	1.3
117.07017	23.7
119.04934	3.4
119.08566	47.8
121.06512	12.6
121.10133	29.5
122.10537	1.2
123.04385	1.7
123.08054	13.2
123.11710	5.0
124.99998	2.1
125.06007	3.0
125.09605	8.3
127.03938	7.8
127.07553	5.7
128.06224	4.7
129.05492	2.4
129.06989	24.5
130.07787	1.5
131.04904	1.4
131.07085	1.9
131.08559	39.7
132.08957	1.4
133.06508	10.4
133.10112	43.5
135.08035	14.1
135.11668	17.7
137.09595	7.6
139.07544	2.2
139.11121	1.4
141.06932	3.0
142.07761	6.3
143.08536	11.6
145.04973	2.6
145.06474	4.5
145.10110	26.0
147.08034	11.4
147.11671	28.0
149.09596	19.0
149.13248	14.0
151.11180	5.8
153.12714	2.4
155.08513	3.5
155.66582	1.4
157.10109	26.4
159.08043	3.6
159.11678	14.7
161.09630	8.8
161.13206	3.1
163.07558	1.4
163.11156	16.1
165.09132	1.8
165.12747	4.9
167.08647	1.4
169.10120	3.7
169.12274	1.8
171.08086	1.4
171.11620	7.4
173.04457	7.7
173.09604	4.5
173.11838	2.9
173.13254	4.8
175.07648	1.2
175.11159	22.7
177.09129	2.4
177.12767	9.0
179.10698	1.4
181.10123	1.8
181.12222	3.0
183.11678	3.1
184.07336	11.6
185.09644	2.5
185.13249	5.5
187.11191	3.5
187.14757	2.5
189.11209	4.8
189.12775	3.0
189.16313	1.9
191.10622	3.9
193.12219	53.3
195.11920	1.4
195.13695	6.1
197.13351	2.7
199.11177	2.1
199.14821	6.7
201.07597	2.4
201.12784	2.7
203.14355	2.7
205.12227	1.7
207.13699	1.2
209.11604	2.6
211.13261	78.7
212.13663	1.6
213.12778	2.0
215.14410	1.8
217.15874	14.0
219.13840	2.3
221.15176	2.0
223.13260	2.0
225.12627	1.4
227.12694	10.4
227.17932	3.2
229.14297	5.0
231.13948	1.4
233.15341	4.3
235.17000	2.1
237.16460	1.4
239.18036	1.7
241.10774	1.5
245.19031	4.7
249.14810	2.8
251.16405	2.3
253.14294	6.6
255.17447	5.3
257.18964	3.1
263.20108	2.4
267.15866	31.4
269.17447	32.8
270.17807	1.7
273.18451	45.9
274.18524	1.5
275.17310	1.9
275.20007	11.5
283.15359	34.1
285.16934	68.2
286.17331	2.3
289.17871	2.0
291.19513	28.4
293.21011	2.7
297.18304	1.2
307.18903	4.8
315.19241	1.7
319.22659	1.8
323.18552	1.5
329.20914	1.7
341.19574	2.1
347.22198	17.2
349.23706	9.0
365.23193	18.8
367.24628	3.3
383.24377	4.3
387.25156	1.4
437.25345	10.1
447.28235	3.3
459.27402	1.8
461.29016	16.0
463.26871	1.9
465.29160	6.3
477.28427	37.8
478.28812	2.1
479.29962	32.2
480.30200	2.2
483.30856	3.1
489.29312	1.7
495.29248	1.4
499.30759	3.0
505.31589	2.2
507.29364	2.6
517.31506	5.4
531.55487	1.4
539.33734	8.9
557.34674	41.6
558.35059	3.0
575.35742	35.4
593.36688	12.6
691.06836	1.5
701.38293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	22.4
55.05500	45.9
56.05824	1.3
57.03152	2.0
57.03426	32.3
57.07063	7.0
58.16002	1.0
59.04980	2.1
61.02913	11.1
65.03923	7.4
67.05492	98.3
68.05814	2.5
69.03416	17.7
69.07054	38.0
70.07403	2.9
70.07831	4.2
71.01335	2.8
71.04975	15.9
71.08608	3.4
73.02906	10.5
77.03936	1.5
79.05479	90.4
80.05844	1.9
80.06251	2.3
81.02930	2.2
81.03400	38.6
81.07040	100.0
81.35309	1.0
82.03748	2.1
82.04167	7.0
82.07390	2.4
83.01341	1.6
83.04496	2.0
83.04964	26.0
83.08603	26.4
84.05766	1.3
84.08927	1.0
85.02883	15.3
85.06512	8.0
86.09700	4.8
87.04451	1.7
91.03934	4.4
91.05463	90.8
92.05790	2.7
92.06310	1.3
93.07026	85.8
94.04176	1.5
94.07324	2.5
94.07851	2.1
95.04951	34.2
95.08588	47.7
96.05767	1.5
96.08927	1.3
97.02871	13.6
97.06513	21.8
97.10148	21.2
98.07309	8.5
99.04443	4.0
99.08064	8.9
101.06009	1.8
103.05450	2.6
105.04506	1.2
105.07010	75.6
106.07297	2.2
107.04934	14.6
107.08572	51.4
108.05744	1.0
108.08855	1.9
109.02868	3.4
109.06500	14.2
109.10130	25.5
110.10484	1.9
111.04411	4.1
111.08054	13.7
113.09621	1.3
115.03924	1.2
115.05449	4.6
115.07553	1.1
116.04694	12.5
117.06160	1.6
117.06992	30.8
118.36607	1.2
119.08556	52.2
120.05659	1.2
121.06484	9.4
121.10123	25.8
123.04408	1.4
123.08044	14.6
123.11690	8.0
124.99979	3.0
125.06009	1.8
125.09613	19.2
127.03906	5.4
127.07529	1.4
127.11192	1.9
128.06163	3.0
129.05458	38.7
129.06938	14.6
130.07761	2.7
131.04968	1.4
131.07516	1.4
131.08540	37.5
133.06468	3.4
133.10101	53.0
134.10526	2.1
135.08040	10.0
135.11664	22.0
136.08858	1.1
137.05936	1.0
137.09619	8.3
139.07510	1.6
139.11180	3.0
141.06981	3.0
141.09079	2.0
142.07784	2.2
143.06981	6.0
143.08546	11.5
143.10658	2.1
144.09375	1.0
145.04916	1.2
145.06410	2.2
145.10094	25.4
146.10823	2.2
147.08022	4.0
147.11662	37.4
148.12215	1.1
149.09596	14.5
149.13228	18.5
151.07530	1.7
151.11137	7.4
153.09061	2.8
153.12750	1.3
155.07057	1.2
155.08533	4.5
157.08592	14.5
157.10120	16.0
159.08086	1.8
159.11674	22.4
160.12175	1.6
161.09616	3.6
161.13235	16.4
163.07541	1.4
163.11139	13.4
163.14780	1.6
164.11816	1.5
164.89343	0.9
165.09120	1.2
165.12715	3.5
167.10599	1.1
169.10066	3.6
169.12219	1.3
171.06560	1.8
171.08067	1.3
171.10124	6.1
171.11658	10.9
173.04443	2.9
173.09625	2.7
173.11737	5.0
173.13239	9.3
175.11124	8.4
175.14816	4.5
177.09079	1.7
177.12643	5.2
179.14330	3.9
181.12250	2.3
183.11678	4.8
184.07343	15.7
185.08118	1.4
185.11745	2.2
185.13252	6.2
187.11108	2.4
187.13202	1.1
187.14769	2.8
189.11188	11.6
189.12689	1.9
191.10680	2.1
193.12180	12.0
195.12108	1.1
195.13789	8.1
197.13203	3.2
198.14008	1.0
199.09526	1.5
199.13261	7.3
199.14847	3.6
200.14087	3.9
201.12752	1.5
201.14726	2.0
201.16420	1.4
203.14307	1.9
207.13792	2.3
209.11702	3.5
209.13431	1.5
210.12411	2.3
211.13263	5.9
211.14995	1.6
213.14702	2.4
213.16475	1.8
215.14372	1.4
217.15939	1.7
219.13663	1.5
227.12727	15.7
229.14169	4.9
229.19452	2.4
231.21017	2.2
233.15172	1.2
239.17979	3.5
241.14243	1.2
241.19470	10.1
247.20601	1.7
253.14204	5.2
254.14792	1.8
255.15765	3.1
257.19052	7.3
259.20541	28.5
267.15848	14.7
268.16229	5.2
269.17413	21.4
273.15106	0.9
273.18320	2.3
275.19980	23.9
276.20398	3.6
277.21136	2.0
283.15399	7.5
283.27090	1.1
285.16925	4.6
291.19412	2.5
292.19754	1.2
293.17862	1.9
293.20990	9.1
299.15009	1.6
301.16428	69.6
301.19818	4.4
302.16736	3.9
303.16565	1.3
313.21518	2.7
315.23050	2.7
331.22543	1.7
333.24203	21.2
334.24637	1.2
349.23645	18.5
351.24988	2.2
367.24951	4.7
423.27292	4.6
433.30408	1.1
437.29404	5.7
439.26782	1.1
449.29062	4.5
451.31500	1.6
455.25583	1.1
461.28937	3.2
463.30521	5.6
477.28265	2.8
478.29041	1.6
481.31949	1.6
495.28275	15.3
498.27637	1.2
507.29367	1.4
517.35205	6.5
525.35498	4.6
541.34912	6.4
542.35791	9.1
543.36102	18.6
559.36090	11.7
560.37372	2.0
561.37408	1.7
575.36517	3.0
577.37061	3.7
593.36316	5.4
610.55811	1.1
790.38916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05023	0.8
58.06602	0.4
59.07369	0.2
60.08159	6.5
66.95019	0.2
69.07095	0.2
70.36544	0.9
71.07363	3.1
72.62429	0.2
81.07046	0.2
84.72404	0.2
86.09697	31.5
87.10033	0.3
95.08603	0.2
98.98449	3.6
100.21185	0.2
104.10733	3.3
124.99989	20.5
126.00237	0.2
140.41374	0.2
143.01045	0.3
163.76631	0.2
163.92587	0.2
166.02695	0.4
174.76901	0.2
184.07323	100.0
184.71828	0.2
185.07643	1.3
248.21385	0.2
293.21017	0.2
502.07895	0.2
628.42249	0.2
702.46814	0.3
770.52905	0.7
788.54291	8.4
789.54767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.1
55.05469	0.1
55.26479	0.1
56.05022	0.6
57.07063	0.1
58.06614	0.5
59.07364	0.1
60.08153	6.0
65.22490	0.1
66.53774	0.1
67.05479	0.2
69.07043	0.2
69.90242	0.3
69.90669	0.3
70.06570	0.1
71.07362	3.2
79.05465	0.1
81.07031	0.2
83.08620	0.1
86.09692	29.6
87.10016	0.1
91.05461	0.1
93.07030	0.1
95.08580	0.1
98.98447	2.8
104.10724	2.8
105.07028	0.1
107.76308	0.1
124.99982	20.2
143.01057	0.4
166.02629	0.2
184.07314	100.0
185.07625	0.7
194.07025	0.1
194.69728	0.1
459.49463	0.1
474.48306	0.1
496.33987	0.2
676.44977	0.2
690.46979	1.6
752.52411	0.2
770.53156	1.1
788.54218	3.5
789.54077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01606	0.5
55.01863	9.2
55.05500	12.6
55.25311	0.4
57.03176	0.6
57.03431	7.3
57.07070	0.8
59.04988	0.8
60.97871	0.4
61.02904	1.1
62.60817	0.3
65.03920	1.9
67.05492	32.4
68.05830	0.5
69.03419	3.2
69.07054	16.3
69.07434	0.8
70.13028	1.5
70.13443	1.0
71.01335	0.6
71.04990	3.7
71.08623	0.7
73.02901	1.2
79.05479	25.4
80.05789	0.5
81.03403	33.5
81.07043	35.3
82.04151	0.7
83.04961	7.4
83.08598	10.2
85.02876	2.6
85.06525	2.3
87.04445	0.6
91.05466	35.3
92.05761	0.6
93.07030	23.0
94.04195	0.5
94.07330	0.5
95.01318	4.0
95.04953	17.7
95.08589	18.4
97.02872	1.8
97.06511	11.6
97.10146	4.2
98.07352	0.6
98.21353	0.8
99.04447	0.8
99.08078	1.2
101.06016	0.7
103.05464	1.4
105.07012	41.4
106.07323	0.8
107.04368	0.3
107.04939	12.0
107.08576	16.6
109.06514	5.0
109.10136	16.4
111.04425	1.4
111.08068	4.9
113.06012	0.9
113.09615	0.5
115.05444	1.0
116.04702	1.0
117.07001	8.4
119.04960	0.8
119.08562	20.8
121.06502	4.8
121.10122	7.4
123.04408	1.2
123.08050	3.0
123.11681	2.6
125.09615	4.5
127.03819	0.6
127.07547	1.1
128.06195	0.9
129.05473	2.9
129.06973	5.9
130.07785	0.7
131.08537	15.6
132.09320	0.5
133.06503	2.4
133.10109	32.1
134.10413	0.9
135.08020	3.5
135.11671	5.0
137.06033	0.8
137.09618	1.9
139.07497	0.9
139.11188	0.6
141.06947	0.6
142.07770	0.8
143.06970	0.8
143.08560	2.6
145.06467	1.7
145.10094	8.3
145.14322	0.5
147.08026	2.9
147.11661	11.2
149.05910	0.6
149.09590	6.6
149.13268	1.9
151.07562	0.4
151.11147	8.5
154.87369	0.4
155.08560	0.8
157.08617	1.3
157.10130	6.0
159.08025	1.0
159.11681	6.2
161.09679	2.1
161.13206	3.0
163.11169	4.5
165.09100	1.3
165.12732	1.3
167.10597	0.4
169.10126	1.3
169.12241	1.3
171.10275	0.7
171.11607	2.6
172.06929	0.4
173.09561	0.6
173.11815	0.8
173.13081	2.1
174.30460	0.4
175.11160	4.4
175.14682	0.5
177.09082	0.7
177.12750	1.5
179.10677	1.0
179.14268	4.8
181.12166	0.7
183.11682	1.1
184.07268	2.2
185.11673	0.5
185.13231	0.9
187.11185	1.7
189.11195	0.6
189.12756	1.0
193.12195	7.4
197.13269	1.3
199.13190	0.7
205.12155	0.7
207.27168	0.4
209.11729	1.1
211.13268	1.8
215.12672	0.6
219.13837	0.6
219.17448	1.5
223.13245	0.5
227.12729	1.6
229.14139	0.6
233.15297	0.5
239.17883	0.7
245.18953	1.0
247.16786	0.6
247.20518	0.6
249.14896	1.1
251.12843	0.5
253.14319	19.7
254.14723	0.5
257.19012	1.7
263.20151	0.7
267.15866	36.5
268.16330	1.1
271.15424	1.3
273.18460	4.8
275.20016	21.3
279.16119	0.4
283.15457	0.9
285.16870	0.5
291.19489	5.7
293.21143	1.2
301.16425	7.3
347.22220	2.2
349.23654	18.0
365.23203	6.5
367.24823	0.5
456.84497	0.5
461.29047	0.6
489.36127	0.5
497.27444	2.1
517.34705	0.5
529.38721	1.4
541.35175	100.0
542.35529	4.3
543.36975	0.7
559.36145	3.8
573.34174	0.9
583.36157	1.3
591.35126	10.2
611.46881	1.6
626.45105	0.6
629.47546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.2
55.05502	32.6
55.69546	0.6
57.03427	20.8
57.07045	1.7
59.04991	20.2
61.02913	4.3
63.28917	0.6
65.03930	2.5
67.05493	54.3
68.05828	1.1
69.03415	7.1
69.07057	12.5
71.01327	1.6
71.04978	9.9
71.08640	0.7
71.77648	1.2
73.02907	1.0
77.03924	0.9
79.05480	35.9
80.05824	1.5
81.03403	58.2
81.07042	43.7
81.29690	0.6
82.03751	0.8
82.07381	0.9
83.01328	4.6
83.04458	1.0
83.04963	22.9
83.08603	29.6
84.08152	0.7
85.02891	24.5
85.06544	4.0
87.04449	15.8
91.03943	1.2
91.05463	35.7
92.05797	0.8
92.70021	0.7
93.07030	35.1
94.07337	0.9
95.04955	26.0
95.08593	19.0
97.02874	8.0
97.06518	6.7
97.10154	16.2
99.04446	9.4
99.08088	2.1
99.12061	0.7
103.03942	0.9
103.05437	1.1
105.07016	22.9
106.07327	0.8
107.04930	12.0
107.05580	0.9
107.08571	20.9
109.02898	1.4
109.06514	10.7
109.10134	30.0
111.04432	10.8
111.08063	12.5
113.05994	3.0
115.05441	2.0
117.06987	9.6
119.04899	1.0
119.08562	27.1
121.06475	4.9
121.10120	14.2
123.04429	2.0
123.08047	9.2
123.11712	2.1
125.05965	2.1
125.09608	14.5
127.03885	1.5
128.06174	1.6
129.05453	2.1
129.06987	10.6
131.08545	13.5
133.06516	2.8
133.10107	10.2
135.08047	7.0
135.11670	11.8
137.05994	1.0
137.09579	6.1
139.03880	1.3
141.06960	0.9
142.07774	1.7
143.08545	2.2
143.10591	1.2
145.06448	2.3
145.10091	16.5
147.08005	6.3
147.11656	13.3
149.09589	7.4
151.11223	1.0
153.09105	1.9
153.12709	5.4
155.08572	2.7
155.10678	1.2
157.10097	10.8
157.12140	1.1
159.08046	4.9
159.11670	1.2
161.05899	0.9
161.09622	1.4
163.07533	1.9
163.11163	25.1
164.11430	0.8
165.12720	3.0
166.13206	0.7
167.07072	0.8
171.11557	0.9
173.09605	4.9
173.11714	9.0
175.11143	13.7
177.05531	0.9
177.12611	0.7
178.05647	0.7
181.12204	7.0
184.07327	1.0
189.11198	2.6
191.10635	5.0
193.12210	35.2
194.12585	1.1
199.11444	1.0
199.13220	5.8
199.14665	0.7
209.11676	8.8
211.13255	39.8
212.13599	1.1
223.13295	0.8
227.12729	14.0
229.14311	21.9
229.16475	1.4
241.14290	2.2
249.14828	1.1
252.91698	0.9
253.15904	0.9
257.13687	1.5
261.18552	1.5
265.14267	1.1
267.15875	23.4
271.17023	4.1
283.15338	26.4
284.16083	1.0
285.16919	48.1
286.17233	1.0
289.17935	12.7
301.16647	0.7
307.18976	5.8
315.18219	3.5
345.20779	1.1
353.23175	1.2
358.57260	0.7
363.21490	5.6
371.24246	3.0
381.22659	22.7
383.24402	8.1
437.24860	0.8
457.25732	4.6
461.29337	0.9
475.26862	25.4
476.27435	1.4
487.29141	1.0
493.27890	100.0
494.28076	4.2
539.33606	0.8
555.33160	8.8
573.34143	18.8
574.34418	0.9
591.35181	31.2
788.35480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01605	1.8
55.01860	21.7
55.05502	49.0
57.03170	1.9
57.03432	26.8
57.07064	3.6
59.04980	5.5
60.33054	1.0
61.02917	7.7
65.03931	4.2
66.04728	1.6
67.05495	100.0
68.05803	1.6
68.75381	1.1
69.03423	14.5
69.07059	57.1
70.01488	2.6
70.01908	5.2
70.04203	1.5
71.01342	5.1
71.04981	11.4
73.02889	5.1
79.05482	78.5
80.05801	1.6
81.03407	35.5
81.07045	92.6
82.04170	1.1
82.07368	1.3
83.01321	11.9
83.04968	28.3
83.08606	30.6
85.02890	16.4
85.06528	4.9
86.09692	1.5
91.03927	3.5
91.05466	74.3
93.07033	75.4
94.07343	1.8
95.04333	2.0
95.04955	34.1
95.08596	47.4
95.09207	2.4
97.02884	17.5
97.06517	23.1
97.10157	16.0
98.07316	2.7
99.04444	7.6
99.08050	4.4
101.06012	1.7
103.05477	2.4
105.04507	2.9
105.07016	58.2
107.04944	22.2
107.08580	47.4
109.02873	4.6
109.06509	16.7
109.10138	38.6
111.04441	5.8
111.08089	8.9
113.06005	1.5
113.09647	1.3
115.05428	3.4
116.04701	5.3
117.06995	24.4
119.04903	2.1
119.08571	38.1
119.09422	1.9
121.06498	12.9
121.10130	24.0
123.04436	2.5
123.08060	21.2
123.11699	6.1
125.05971	3.1
125.09628	15.0
127.03915	4.6
127.11265	1.4
128.06233	2.8
129.05466	12.0
129.06963	9.8
130.07732	5.1
131.08545	25.5
132.05728	1.9
133.06464	4.2
133.10110	34.5
135.04478	1.2
135.08032	8.7
135.11674	25.2
137.09566	12.5
139.07515	1.2
139.40569	1.2
141.06960	2.4
143.07036	1.7
143.08533	8.9
145.06464	4.1
145.10100	33.6
147.08063	8.6
147.11665	13.0
149.09605	17.5
149.13246	3.3
150.65607	1.2
151.11143	11.1
153.09059	2.0
153.12727	4.3
155.08543	3.3
157.08598	4.9
157.10118	8.1
159.08031	1.8
159.11629	9.3
161.09589	5.5
161.13219	5.0
163.11162	44.6
163.12491	2.5
165.09070	3.2
165.12741	1.9
169.10115	2.6
169.12233	2.5
171.10214	2.5
171.11647	4.8
173.04414	3.4
173.09625	5.6
173.11703	5.1
173.13269	4.9
175.11162	6.8
177.12851	2.8
179.10666	2.4
179.14259	3.0
181.12218	6.4
183.11679	2.4
184.07353	5.6
185.11676	2.3
185.13251	3.2
187.11189	1.7
187.13263	1.8
187.14839	1.7
189.11198	5.3
189.12749	1.9
191.10654	4.5
193.12199	6.9
195.13734	2.3
197.13229	1.9
199.13275	3.3
205.12244	1.3
209.11665	16.8
209.13284	1.8
211.13268	5.1
215.12743	2.1
221.11630	1.3
223.13277	8.6
227.12749	13.3
227.17792	1.6
229.14224	7.2
233.15324	2.1
243.15977	3.1
245.19080	2.8
247.16655	1.4
247.20343	1.5
249.14799	1.6
253.14322	16.1
255.15787	8.6
257.18948	4.5
263.19989	2.9
265.14359	1.3
267.15863	10.6
269.17520	2.2
271.15552	1.3
273.18448	13.6
275.20074	19.9
280.65320	1.3
283.15366	76.3
284.15723	3.5
285.16858	5.8
291.19498	44.9
293.21179	2.7
297.17160	1.2
301.16443	21.6
331.22842	2.5
347.22171	2.8
349.23691	29.5
350.23972	1.5
350.66745	1.1
365.23196	22.1
379.21066	7.9
419.24252	1.5
437.25311	22.4
451.26801	8.2
461.28900	8.2
463.27002	6.5
476.27533	1.6
477.28314	3.7
479.26422	1.8
493.27942	3.2
497.27167	1.7
519.33362	2.1
529.35468	1.8
557.34686	38.7
558.34814	2.6
573.33734	7.9
574.35199	3.4
575.35583	6.3
591.35309	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.4
55.05503	40.7
57.03169	1.7
57.03427	21.7
57.07047	1.4
59.04970	2.8
59.21152	1.1
61.02904	3.2
61.46640	1.2
64.24483	1.0
65.03927	5.3
67.05495	57.0
67.05856	2.7
69.03419	13.0
69.06696	2.1
69.07056	26.1
71.04979	10.3
73.02892	4.1
77.03891	1.6
79.05482	92.7
80.46658	1.1
81.03407	44.4
81.07045	58.7
82.07356	1.3
83.01336	2.6
83.04973	21.9
83.08609	26.7
85.02892	18.6
85.06541	5.2
86.09683	3.7
87.04469	1.2
91.05466	100.0
93.07032	52.1
95.04955	31.1
95.08597	23.4
97.02882	9.8
97.06518	34.2
97.10160	19.3
99.04454	3.6
99.08086	2.9
103.05453	3.3
104.06193	1.3
105.04524	2.0
105.07018	45.8
107.04952	16.7
107.08579	59.6
108.08816	1.6
109.02863	3.8
109.06508	20.1
109.10141	19.1
111.04430	3.9
111.08070	13.0
113.05991	2.9
115.05448	7.9
115.07530	5.4
116.04784	1.9
117.06998	29.1
119.04893	2.2
119.08566	72.0
120.08912	1.2
121.05766	1.3
121.06516	8.6
121.10131	14.1
122.10412	1.7
123.04416	3.4
123.07275	1.2
123.08027	7.5
123.11685	2.9
124.99979	1.4
125.05980	1.7
125.09616	19.7
127.03897	2.9
127.07541	1.4
128.06186	6.9
129.05453	3.6
129.06987	16.9
130.07761	2.5
131.04961	1.5
131.08551	30.2
133.06480	7.3
133.10110	25.3
135.04405	1.3
135.08035	39.0
135.11685	8.1
137.05916	1.8
137.09605	4.7
139.11217	1.4
141.06960	3.4
142.07762	3.7
143.07162	1.2
143.07364	1.8
143.08546	21.0
145.06415	6.0
145.10098	25.0
147.08006	18.7
147.11647	13.5
149.09633	6.6
149.13271	3.2
151.11174	4.0
153.06911	1.2
153.09126	1.7
153.12708	1.9
155.08522	3.2
157.08742	1.6
157.10121	17.1
159.08028	8.2
159.11664	7.9
161.09610	6.2
161.13292	1.8
163.11179	11.4
165.06955	1.4
165.09120	1.2
165.12796	1.8
169.10054	6.2
169.12250	1.4
171.08054	1.7
171.10202	2.5
171.11649	4.4
173.04463	3.0
173.09612	4.0
173.11778	2.1
173.13162	2.2
175.07497	2.1
175.11180	9.0
177.09113	2.2
177.12689	2.7
179.10553	1.4
181.10081	3.0
181.12358	2.0
183.11647	2.5
184.07332	8.0
185.09573	1.8
185.13304	2.8
187.11147	1.7
189.11205	15.0
189.12772	1.5
191.10658	2.2
193.12215	27.8
195.11719	4.1
195.13762	1.5
199.13248	2.7
199.14931	1.9
201.12758	1.2
203.14201	1.3
209.11726	3.0
211.13249	31.0
211.15199	2.2
213.12729	2.0
217.15971	2.1
219.13712	1.5
221.11757	1.4
227.12737	24.4
227.18008	1.6
229.14290	3.7
233.15343	2.5
237.16473	5.2
243.17520	1.4
245.13718	7.8
245.19000	2.8
253.14162	6.7
255.17436	5.0
261.18445	2.7
267.15881	15.6
269.17419	5.6
271.16937	10.6
273.18433	20.9
275.19974	3.3
283.15390	22.6
283.18436	1.9
285.16904	21.0
289.17950	14.8
291.19565	6.8
299.14844	3.2
301.16507	8.0
307.19016	7.0
317.20801	1.1
325.19919	1.2
329.21201	2.3
329.55835	1.2
345.20938	1.7
347.22076	10.9
349.23724	2.1
363.21539	3.9
365.23059	6.2
381.22632	4.4
402.42410	1.0
421.25397	1.5
427.26663	1.4
437.25070	3.7
439.27087	2.6
455.26303	3.8
463.27042	2.3
475.27509	1.2
477.28571	10.9
479.25873	1.9
493.27853	2.7
505.27661	1.7
515.29968	1.4
533.30695	2.0
539.33575	1.7
555.33386	10.0
557.34039	1.7
573.34106	21.8
591.35083	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
56.31386	0.2
57.55170	0.2
58.06593	0.3
60.08159	1.5
67.05502	1.4
69.07066	2.4
71.04988	0.3
71.07372	0.8
71.08615	0.3
71.79793	0.5
77.16019	0.2
79.05482	0.9
81.07063	1.3
86.09686	7.2
87.10049	0.3
91.05480	1.1
93.07020	1.8
95.04938	0.6
95.08589	1.0
96.08147	0.3
98.98471	0.9
104.10773	0.8
105.07034	0.5
107.08604	1.1
109.10157	0.4
119.08548	0.3
121.10149	1.0
124.99989	5.0
125.00847	0.4
135.11691	0.5
146.08096	0.4
178.04472	0.3
184.07317	25.0
185.07664	2.0
210.11554	0.3
221.08316	0.3
221.10556	0.3
223.12320	0.5
237.13823	0.3
238.18130	0.4
263.11835	0.3
389.18054	0.3
401.17703	0.4
403.18881	0.4
405.20776	0.3
409.40295	0.3
415.19217	0.9
416.20264	0.7
417.21323	1.6
418.22147	0.5
419.22208	0.6
429.21298	0.6
430.17361	0.4
431.17743	2.1
431.23441	0.7
432.19592	1.1
433.24487	1.5
442.17966	0.8
443.18716	1.2
444.18808	1.3
445.20013	4.1
446.20712	1.4
447.21622	2.0
457.20584	1.7
458.21136	1.6
459.21640	5.6
460.22455	3.1
461.23318	2.9
462.24323	0.5
469.20364	0.6
471.18237	1.7
472.19083	0.8
473.23495	1.0
475.35068	0.5
481.20630	0.4
483.21893	0.6
484.22812	0.3
485.19092	2.4
486.19852	1.5
487.20941	0.7
491.24496	0.4
495.21835	0.5
496.22650	0.4
497.12894	0.3
497.20306	0.3
497.22800	0.3
499.21381	0.9
500.22037	0.4
501.22812	0.7
505.23203	0.3
505.26038	0.3
515.25134	0.5
517.22296	0.6
519.23810	1.5
529.22498	0.5
531.23920	1.2
539.24243	0.4
543.23712	0.9
544.24292	0.3
545.25586	0.8
546.26312	0.3
547.27051	10.7
548.27435	1.0
557.24896	0.5
559.23468	0.6
569.25507	0.5
571.25500	0.5
573.25378	1.1
574.25824	0.5
575.26306	0.5
585.26721	0.3
587.26135	1.4
591.25818	0.7
597.28552	0.3
599.29370	0.3
601.28101	1.1
604.26788	0.3
605.27045	0.8
606.28339	0.6
607.29193	2.8
611.26770	0.8
612.29443	0.3
613.29016	0.4
615.26337	1.1
617.23773	0.4
629.27686	0.9
631.25525	0.3
632.26459	0.9
633.27472	0.8
641.34943	0.6
643.30609	0.3
653.32404	0.4
661.29956	0.4
671.28571	0.5
681.34460	0.5
699.36713	0.5
709.37506	0.7
727.38525	4.4
728.38885	0.5
740.36615	0.4
769.39178	0.7
787.40521	100.0
788.40936	7.3
788.53900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84689	0.8
60.08155	2.1
65.06794	0.7
69.07054	1.7
69.47459	8.5
71.07381	1.1
81.07052	0.8
82.57939	0.7
86.09700	10.1
88.43490	0.6
93.07034	1.1
98.98441	1.3
107.17554	0.7
109.10117	0.7
118.81866	0.6
124.99986	6.8
153.30057	0.7
184.05679	1.6
184.07329	29.3
185.07631	1.5
217.61702	0.7
235.12349	0.9
277.74173	0.7
370.63864	0.8
401.17795	1.7
402.18689	0.9
403.19153	4.0
404.19992	2.5
415.15292	2.5
415.19519	2.6
416.20398	1.3
417.17014	0.7
417.20984	6.7
418.21613	3.2
419.22287	3.8
429.16571	4.6
430.17160	5.5
431.18506	5.4
431.22668	4.7
432.23770	3.6
433.23938	2.8
442.18225	1.0
443.18234	8.8
444.19052	7.7
445.20050	15.5
445.25266	0.9
446.21161	2.3
447.22079	1.2
457.20868	4.4
458.21021	7.0
459.21732	19.6
460.22519	14.3
461.23447	4.1
471.17688	0.9
473.23935	1.6
485.19861	1.2
486.20502	1.4
487.21130	1.3
488.22052	1.4
489.23340	0.9
491.24744	1.4
503.21210	1.1
503.24182	1.1
505.25800	1.4
517.22522	3.0
518.23267	1.5
519.24066	2.2
531.24011	7.4
545.25763	8.4
546.26062	9.3
547.27069	15.4
548.27625	1.0
559.23322	1.1
573.25220	4.6
577.24310	5.3
591.26001	9.3
592.26727	1.0
605.27417	12.8
606.28302	54.7
607.28986	15.4
608.29358	1.2
633.27008	10.9
634.27356	1.5
649.30243	2.6
759.42651	0.9
769.40607	0.9
787.40527	100.0
788.40814	8.9
788.54462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.5
58.06610	0.5
59.07353	0.2
60.08156	6.6
65.45936	0.1
66.60150	0.1
67.05488	0.2
69.07037	0.2
71.07004	0.2
71.07363	3.3
71.08574	0.1
71.81165	0.3
72.64910	0.1
86.09692	30.6
87.10019	0.3
88.90251	0.1
92.73294	0.1
95.08604	0.2
98.98445	2.8
104.10085	0.3
104.10732	2.8
107.08594	0.2
124.99985	19.5
135.11678	0.1
140.01077	0.2
143.01059	0.6
147.38539	0.1
153.12787	0.2
166.02620	0.4
184.07314	100.0
185.07649	1.2
248.43010	0.1
469.22635	0.2
768.51563	0.6
786.52698	9.0
787.52802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	17.9
55.05502	27.8
57.03429	12.5
57.07055	2.6
59.04985	1.6
59.37062	0.9
61.02898	3.2
62.35297	0.8
65.03917	4.0
67.05492	100.0
69.03415	7.9
69.07056	43.8
71.01366	1.1
71.04984	6.5
71.80463	0.9
73.02897	1.2
73.06538	3.2
77.03905	0.9
79.05476	93.3
80.05792	1.4
81.03401	16.2
81.07042	69.0
82.84303	0.9
83.04969	19.6
83.08598	14.4
84.05256	1.1
84.91411	1.1
85.02884	6.3
85.06525	4.8
86.09679	4.3
87.04458	1.9
91.05463	86.3
92.05804	1.2
93.07027	88.7
95.04951	32.9
95.08587	50.5
95.09206	2.0
97.02888	6.1
97.06519	25.7
97.10146	7.0
99.04430	2.8
99.08087	2.1
103.05462	2.6
105.04523	1.5
105.07012	62.5
105.25637	0.9
106.07318	1.3
107.04942	17.9
107.08572	30.5
108.69948	1.1
109.02842	1.8
109.06497	12.7
109.10139	30.6
109.31654	1.0
111.04383	2.4
111.08054	5.1
113.09580	1.7
115.05415	2.1
117.06999	18.0
119.04890	1.3
119.08561	43.3
121.06487	5.3
121.10101	13.2
123.08048	8.4
123.11710	2.0
124.99989	2.2
125.09631	4.4
127.03932	2.9
127.07547	1.9
128.06198	4.5
129.05478	2.2
129.06979	19.4
130.07733	1.6
131.08559	15.7
133.06470	3.7
133.10114	23.9
135.07997	4.8
135.11662	8.4
137.06007	0.9
137.09592	14.5
139.07538	1.3
139.11157	1.5
141.06956	2.1
142.07735	1.1
143.08559	12.5
144.09354	0.9
145.06519	2.3
145.10086	22.0
147.08009	3.8
147.11655	42.7
149.09593	21.8
149.10522	0.7
149.13205	2.6
151.11192	2.7
153.94342	0.9
155.08588	2.3
157.08743	1.5
157.10115	3.6
159.11632	8.7
161.09595	8.1
161.13228	16.6
163.11174	14.3
165.09135	1.6
165.12726	2.0
169.10117	3.2
171.11644	32.6
173.04419	1.6
173.11705	8.5
173.13232	4.3
175.11188	2.7
177.12714	4.1
179.14333	5.4
183.11638	2.6
184.07318	9.7
185.13264	1.3
187.11139	2.0
189.11185	2.0
189.12700	12.5
193.12175	1.8
195.11665	1.1
195.13696	1.0
205.12282	1.9
207.13766	31.3
208.14040	1.5
211.13252	2.8
222.24115	1.0
223.13243	3.3
225.14719	2.7
227.12720	5.3
227.17924	1.2
227.20009	1.2
229.14262	9.9
229.19536	2.0
239.18016	2.0
241.14145	1.2
243.15691	1.2
247.20641	1.1
253.14209	1.4
257.19006	5.9
263.20096	1.0
267.15823	1.7
273.18314	4.5
275.20004	28.2
276.20276	1.4
279.15729	1.7
281.17438	60.3
282.17850	2.8
283.15317	2.8
291.19528	6.9
293.21051	3.5
297.16989	1.2
315.18011	1.8
331.22763	1.2
347.22101	1.4
349.23669	30.2
350.23969	1.4
365.23080	2.7
377.23077	7.0
435.27335	49.0
436.27612	3.0
449.28900	2.5
451.25891	1.0
459.31256	4.9
461.29102	2.0
475.30261	3.0
503.29883	1.6
527.37177	1.3
537.35291	2.6
539.33472	1.4
555.36737	54.9
556.37189	5.5
557.34564	3.5
571.36304	3.8
573.37994	5.3
579.31604	1.2
589.37170	4.3
613.24518	1.2
669.65881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.5
55.05501	22.0
57.03426	16.3
57.07061	1.9
59.04993	2.7
61.02916	3.0
65.03933	2.7
65.29500	0.9
67.05493	49.7
69.03419	14.4
69.07059	10.3
71.01347	2.7
71.04983	13.6
73.02914	3.8
79.05018	1.9
79.05479	37.4
80.05808	1.1
80.06264	1.1
81.03406	100.0
81.07042	35.9
82.03724	1.8
82.04182	1.1
83.01355	2.1
83.04964	19.4
83.08604	23.9
84.05754	1.3
85.02894	12.5
85.06531	5.1
87.04462	1.4
91.03931	1.4
91.04908	2.0
91.05464	33.4
92.60084	0.8
93.03397	1.1
93.07030	29.9
94.04160	1.7
95.04951	34.6
95.08595	17.2
96.05280	1.3
97.02880	16.2
97.06511	12.5
97.10152	12.2
98.03664	5.8
98.20615	1.3
99.04440	5.4
99.08088	2.4
101.05974	0.9
103.03951	1.3
103.05441	1.6
105.07012	22.0
107.04938	19.9
107.08578	22.0
109.02855	7.3
109.06494	8.5
109.10139	23.9
109.10867	1.5
110.07312	4.3
111.04437	10.7
111.08057	11.5
111.08730	1.4
113.05995	2.2
115.03931	1.8
115.05440	2.1
116.04677	2.4
117.06996	8.1
119.04897	1.7
119.08568	23.7
121.02860	2.4
121.06480	7.4
121.10128	18.5
123.04417	5.2
123.08047	7.2
123.11694	1.9
125.05973	3.4
125.09612	13.5
127.03944	7.1
128.06204	1.6
129.05495	6.7
129.06972	11.7
131.04912	3.4
131.08543	15.5
133.06453	5.0
133.10085	10.0
135.04416	2.6
135.08049	5.6
135.11661	13.5
137.05972	2.1
137.09590	3.8
139.03850	5.1
141.06996	1.3
142.07739	3.1
143.07024	1.6
143.08545	2.7
143.10669	1.1
145.04932	1.1
145.06462	4.4
145.10094	13.1
147.04395	2.8
147.08035	5.2
147.11670	12.7
149.05922	2.5
149.09608	13.0
149.13255	1.4
151.07564	1.1
151.11166	1.3
153.09090	4.0
153.12730	12.3
155.08530	2.7
155.10643	1.4
157.06499	1.4
157.08672	2.4
157.10126	10.2
158.42610	0.9
159.08040	2.3
159.11638	2.2
161.05968	2.2
161.09682	2.1
163.03851	1.7
163.07515	0.9
163.11153	17.0
165.12755	3.7
169.10120	1.7
171.08087	1.0
171.10159	1.2
171.11630	1.3
173.04440	15.9
173.05861	1.4
173.09575	5.7
173.11723	5.5
173.13165	1.5
175.11142	10.5
177.05470	0.9
177.12704	1.3
181.04811	1.0
181.10263	1.8
181.10503	1.9
181.12181	10.2
183.11662	2.1
184.07248	1.1
185.13194	2.0
189.05565	1.2
189.09319	1.6
189.11206	11.2
189.12772	1.3
191.10638	11.0
193.12222	30.3
194.12511	1.7
199.06006	3.1
199.13222	1.7
201.12801	1.8
201.14838	2.1
203.07274	0.9
203.14339	1.7
205.12256	2.0
209.11674	11.1
211.13228	12.4
213.14732	1.0
217.07013	1.0
217.12236	1.2
219.13843	3.1
223.13330	3.1
224.14114	2.5
225.14818	2.7
227.12729	35.9
229.12175	1.9
229.14290	27.4
231.13664	2.0
235.13257	1.5
237.14833	1.0
241.14366	2.5
247.13274	13.3
249.14865	5.1
259.13080	1.2
259.15408	5.1
261.14856	1.3
265.14420	5.5
267.15866	69.1
268.16342	1.9
270.17981	1.2
273.14902	2.8
283.15353	19.4
285.16986	3.7
289.14426	1.6
291.15887	1.1
299.18542	1.1
301.16953	6.0
309.16864	1.5
315.17963	4.7
317.14001	1.2
319.15588	2.2
321.16861	4.8
355.22620	2.3
373.24106	1.4
383.22083	6.3
399.23941	1.1
401.23218	3.2
403.24728	2.2
411.20389	0.9
419.24002	1.1
421.25797	20.7
427.19589	2.0
429.20984	1.2
444.28250	1.4
445.20758	2.0
447.27438	4.4
457.25769	5.6
458.26254	1.9
459.27255	5.4
461.28857	3.8
462.29120	4.8
463.26538	1.0
475.26813	18.0
476.27670	5.0
479.29791	2.1
490.29346	2.4
493.27966	11.2
508.29855	1.3
525.30420	5.7
539.30243	1.1
588.32428	1.2
589.29712	1.7
601.29816	2.8
603.31055	2.2
619.30811	3.3
621.32648	3.5
624.34125	1.9
637.31836	3.0
637.77924	1.1
653.35590	1.0
669.33655	1.2
695.44000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.4
55.05507	12.2
57.03152	0.8
57.03429	8.7
59.05003	0.8
61.02916	1.0
61.31894	0.5
65.03931	2.1
67.05499	22.0
69.03423	26.9
69.07064	5.5
70.37404	2.0
71.01343	1.9
71.04987	8.1
73.02906	1.6
74.09713	0.5
79.05488	22.2
81.03410	100.0
81.07046	25.4
81.07764	0.6
83.04975	18.7
83.08611	17.3
85.02896	18.2
85.06541	1.9
85.25474	0.5
89.80462	0.5
91.05472	27.8
93.03403	0.5
93.06439	0.6
93.07034	15.3
95.04962	23.5
95.08595	7.6
97.02881	25.6
97.06518	5.7
97.10156	5.1
99.04447	8.7
99.08090	0.8
101.02381	1.3
103.03918	0.9
103.05477	2.0
105.03383	0.6
105.04505	0.5
105.07019	19.5
107.04942	7.9
107.08580	8.5
109.02869	22.0
109.06503	4.5
109.08179	0.5
109.10130	3.8
111.04431	11.8
111.08070	8.4
113.02414	0.6
113.06020	1.6
115.05431	2.7
117.07003	4.6
119.04938	2.0
119.08568	15.3
121.02945	0.5
121.06498	3.6
121.10124	7.3
123.04428	3.9
123.08070	2.4
123.11716	2.8
125.02374	1.2
125.05969	0.9
125.09641	3.2
127.03905	18.0
127.07544	0.9
128.06255	1.4
129.05515	2.7
129.06989	10.3
131.04947	1.8
131.08565	10.9
133.06490	4.7
133.10124	8.8
135.04413	1.1
135.08080	1.7
135.11688	2.1
137.05981	1.7
137.09613	1.8
139.03935	1.4
141.07002	1.1
142.07793	2.1
143.08565	2.1
145.05009	0.9
145.06503	2.5
145.10127	4.0
147.04420	2.1
147.08057	3.5
147.11671	15.8
149.05991	2.2
149.09605	5.4
149.13330	0.6
151.03940	1.5
151.11153	1.1
153.05412	0.5
153.12750	3.1
155.08572	1.9
157.05034	0.6
157.06476	1.2
157.10106	11.9
159.08070	1.6
159.11731	1.5
161.06003	1.1
161.09634	0.9
161.13252	0.8
163.03958	1.3
163.11177	4.4
165.05487	1.0
165.07079	0.5
165.12732	4.6
167.08591	1.2
169.05058	0.7
169.10083	1.2
171.08037	1.1
171.11703	1.1
173.04457	10.3
173.05931	1.1
173.09619	1.3
175.03990	0.8
175.07693	0.5
175.11159	11.2
177.05507	0.7
177.12784	1.0
181.12186	3.7
183.06557	1.1
185.09605	0.9
185.13237	1.1
187.07567	0.6
187.11194	1.0
189.05501	1.3
189.11247	1.1
189.12877	1.3
189.62338	0.5
191.10663	3.3
193.12224	31.1
194.12587	0.8
195.11781	0.6
197.09648	0.7
199.11263	0.8
199.14821	0.6
205.12259	0.7
207.13791	0.7
209.11650	1.0
211.13272	40.4
212.13698	0.5
213.12881	1.2
213.14810	0.9
215.10616	0.5
217.12234	0.8
223.13312	0.7
227.12611	4.5
229.14291	3.6
231.13812	0.6
231.21062	0.6
235.13333	1.4
237.12907	0.6
245.15562	0.7
247.13388	0.8
249.14838	2.5
253.07138	2.1
255.13989	1.1
259.13333	1.0
267.08942	0.7
267.15869	12.3
269.17480	0.6
271.08231	0.8
273.14764	2.8
277.14297	1.1
283.15393	2.4
285.16968	9.8
289.14502	1.2
291.16031	0.9
301.14261	5.2
301.16882	0.5
313.16837	0.8
319.15491	2.7
319.18887	0.7
321.17123	0.6
337.16507	3.0
347.18488	1.1
349.21588	0.7
351.18146	1.0
355.17554	5.9
365.19803	0.7
367.22836	0.9
375.17871	2.3
377.19513	0.7
385.23770	1.4
393.19028	3.8
411.20099	8.1
411.25089	0.6
415.24326	0.5
429.21277	5.5
441.26270	0.8
449.29144	0.5
459.27502	7.0
477.28372	4.6
481.20261	0.6
493.27896	0.9
495.29492	4.3
499.21838	1.4
501.28815	1.2
511.29114	0.7
537.23248	1.1
543.29541	0.9
555.24542	0.6
557.31427	1.1
567.29443	0.8
585.30548	2.8
603.31732	4.7
621.32635	11.3
639.33704	5.1
645.32025	0.6
655.20490	0.6
655.32617	0.7
711.33350	0.8
729.34784	0.8
747.35345	2.4
765.36639	4.2
783.37885	21.9
784.37445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05500	1.5
56.05030	0.2
57.03424	2.4
58.06633	0.2
59.04982	0.6
60.08149	1.4
60.16306	0.2
61.02603	0.4
61.02914	6.3
64.86140	0.2
67.05492	6.0
69.03419	4.1
69.07061	1.6
71.01346	0.8
71.04978	1.5
71.07361	0.9
71.81696	0.2
71.82430	0.3
73.02900	4.8
79.05484	4.6
80.25993	0.3
81.03403	4.0
81.07042	5.5
83.04972	0.8
83.08587	1.3
85.02888	6.4
85.06554	0.3
86.09692	5.5
87.04451	0.5
87.10044	0.9
91.03944	3.9
91.05464	3.4
93.07031	5.6
93.07581	0.4
95.04940	1.5
95.08588	4.5
95.77750	0.2
97.02240	0.3
97.02877	6.5
97.06525	0.7
97.10159	0.3
98.98469	0.6
99.04434	1.5
101.02354	2.1
103.03916	0.6
104.10715	0.5
105.07008	2.4
107.04926	0.5
107.08580	2.6
107.23011	0.2
109.02869	1.0
109.06516	0.7
109.10164	1.3
111.08022	0.3
115.03921	0.5
117.07001	0.4
119.08578	1.9
121.10126	2.8
123.08130	0.4
123.11698	0.6
124.99989	4.0
125.00818	0.4
125.09645	0.3
127.03919	2.0
129.06996	0.5
131.08577	1.5
132.26695	0.2
133.10114	1.4
135.11705	1.0
145.05055	0.3
145.10094	0.6
145.47232	0.2
145.57886	0.2
147.08011	0.2
147.11671	1.1
149.09566	1.5
149.13220	0.6
157.10139	0.5
159.11748	0.6
161.13278	0.3
163.14743	0.3
173.13206	0.5
175.11180	0.6
184.07315	19.2
185.04243	0.8
185.07686	2.2
191.17429	0.3
193.12280	1.0
203.05376	0.6
225.14896	0.6
233.11629	0.3
243.08344	2.7
243.10205	0.3
253.14204	0.4
267.15903	0.5
283.15097	6.6
335.25894	0.9
339.17850	1.0
441.20782	0.3
469.20627	0.4
501.22977	8.5
502.23489	0.4
519.29224	8.8
519.36853	0.5
520.29816	0.5
586.03680	0.3
594.27667	0.3
617.40198	0.6
674.43921	0.3
675.44507	1.5
763.18872	0.3
779.45410	100.0
780.45966	6.7
788.19818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5369
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05026	0.9
57.07068	0.1
57.85761	0.1
58.06312	0.2
58.06619	0.5
59.07395	0.2
60.08153	6.7
67.05492	0.3
70.06578	0.3
71.07362	3.2
71.49287	0.1
76.72868	0.1
79.05489	0.2
81.07053	0.2
84.08136	0.2
86.09690	32.0
87.10033	0.3
91.05460	0.1
93.07021	0.1
95.08586	0.2
98.98444	3.0
98.99094	0.1
104.10731	2.2
104.87706	0.1
107.08573	0.1
116.07082	0.2
116.99510	0.1
119.08534	0.1
121.10139	0.1
124.99983	21.1
130.08618	0.6
133.10135	0.1
143.01028	0.3
166.02641	0.3
184.07310	100.0
185.07648	1.1
352.85062	0.1
449.55566	0.1
518.32098	0.2
732.27753	0.1
778.53766	2.4
779.52759	0.3
790.45007	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.8
55.05512	1.6
56.05015	0.3
57.03428	2.1
58.06576	0.5
59.07374	0.2
60.08160	2.8
61.02916	4.3
65.03910	0.4
67.05501	5.1
69.03104	0.2
69.03422	3.1
69.07057	2.1
69.51389	2.5
71.01333	0.4
71.04955	1.0
71.07360	1.4
73.02908	3.5
77.11240	0.2
79.05489	4.0
81.03404	4.4
81.07047	5.4
82.07390	0.2
83.04963	1.6
83.08624	1.3
85.02386	0.4
85.02893	6.2
85.06516	0.3
86.09695	14.2
87.04457	0.3
87.10024	1.8
91.03944	2.4
91.05461	4.4
93.07034	2.8
95.04945	2.1
95.08589	1.8
95.52519	0.2
97.02875	4.6
97.06492	0.9
97.10159	0.6
98.98445	1.1
99.04418	0.9
99.08042	0.3
101.02379	1.7
103.03911	0.4
104.10704	1.7
105.07014	3.4
107.04900	0.8
107.08569	1.8
109.02853	1.0
109.06461	0.7
109.10120	0.9
111.04426	0.3
111.08058	0.9
115.03943	0.5
117.06988	0.8
119.08572	2.3
121.06492	0.5
121.10124	1.2
123.08051	0.6
123.11677	0.3
124.99992	9.1
125.09572	0.3
126.00340	0.5
127.01791	0.2
127.03909	1.2
129.06960	0.7
131.08553	2.0
133.10103	2.1
135.08044	0.3
135.11682	1.2
137.09579	0.5
145.04932	0.3
145.10089	0.6
147.08028	0.2
147.11667	1.4
149.09586	0.6
157.10126	1.3
159.11678	0.5
165.12634	0.3
175.11163	0.8
184.07321	51.0
185.04213	0.5
185.07683	7.2
193.12189	1.3
203.05261	0.4
211.13243	0.8
222.08841	0.4
233.35684	0.3
243.08383	3.4
251.12558	1.0
259.08008	0.3
275.19949	0.3
285.17136	0.4
303.19302	0.2
307.15240	0.7
333.20279	3.2
376.64075	0.3
389.23038	0.4
439.19098	1.4
448.53464	0.2
453.20905	1.1
469.20386	12.8
470.20947	0.3
551.28235	5.4
574.75940	0.3
681.34363	0.8
745.44696	0.3
779.41803	100.0
780.41956	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	778.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
55.05500	0.2
56.05027	0.5
57.03432	0.2
57.07050	0.1
58.06624	0.5
60.08153	6.2
61.02917	0.1
65.03938	0.1
65.79053	0.1
67.05485	0.6
67.24023	0.1
69.03420	0.1
69.07048	0.2
70.06577	0.4
70.39326	0.1
70.79331	0.1
71.07363	3.3
71.07767	0.2
71.20173	0.2
71.20518	0.1
79.05070	0.1
79.05474	0.5
81.03406	0.3
81.07050	0.5
83.08599	0.1
85.02901	0.1
86.09692	29.6
87.10027	0.2
88.07625	0.4
91.05468	0.4
93.07032	0.4
93.57540	0.1
95.04975	0.2
95.08581	0.3
97.02898	0.1
98.98447	2.7
98.99073	0.2
102.09145	0.3
104.10725	2.1
104.11430	0.1
105.07024	0.3
106.07393	0.1
107.08580	0.2
109.10154	0.3
117.07018	0.1
119.08545	0.2
121.10149	0.2
124.99983	19.9
128.98517	0.1
135.11591	0.1
143.01033	0.4
145.10060	0.1
149.02335	1.0
149.03430	0.2
159.11690	0.1
166.02643	0.1
181.22601	0.1
184.07315	100.0
185.07700	0.8
193.04913	0.4
228.23175	0.6
233.10298	0.1
233.59355	0.1
321.04968	0.1
388.93610	0.1
448.54657	0.1
518.32251	0.2
577.12970	0.2
710.43805	11.6
711.44238	0.6
778.41492	1.0
779.35364	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	778.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
55.05493	0.2
56.05027	0.7
57.03425	0.2
58.06569	1.0
59.07354	0.5
60.04507	0.3
60.08154	5.7
61.02895	0.1
62.64469	0.1
67.05493	0.9
69.03416	0.2
69.07047	0.3
69.75491	0.5
70.06214	0.1
70.06557	0.2
71.04955	0.1
71.07363	2.5
75.91031	0.1
79.05480	0.6
81.03400	0.4
81.07046	0.8
83.04971	0.2
83.08604	0.2
85.02892	0.4
86.03231	0.1
86.09691	27.8
87.10026	0.3
91.03903	0.1
91.05469	0.4
93.07033	0.5
95.04952	0.2
95.08595	0.3
97.02890	0.2
97.10147	0.1
98.20675	0.1
98.98447	2.3
99.08094	0.1
104.10730	3.0
105.07024	0.3
107.04940	0.2
107.08572	0.3
109.06516	0.1
109.10153	0.3
111.08136	0.1
114.61666	0.1
117.07027	0.1
117.10849	0.1
119.08540	0.4
121.10169	0.2
124.99986	17.0
125.09633	0.1
128.17529	0.1
129.16223	0.1
131.08545	0.2
133.10118	0.2
135.11665	0.3
137.06067	0.1
143.01050	0.2
145.10167	0.1
147.11650	0.2
149.09666	0.2
157.10138	0.1
163.01479	0.1
166.02643	0.2
175.11203	0.1
184.07312	100.0
185.07669	0.9
193.12207	0.2
211.13426	0.1
222.08881	0.5
224.10480	0.2
227.12633	0.1
240.09966	0.1
255.15874	0.1
257.16617	0.1
267.16043	0.1
316.28491	0.2
354.13168	0.1
438.22360	0.1
469.20557	0.2
491.22772	0.1
494.25662	0.1
522.24640	0.1
551.28113	0.2
618.33447	0.1
622.33765	0.4
648.35162	0.5
678.35950	0.4
690.36066	0.2
742.43091	0.2
744.44586	0.4
760.43835	0.4
778.44934	2.9
779.41815	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
55.05493	0.2
56.05027	0.7
57.03425	0.2
58.06569	1.0
59.07354	0.5
60.04507	0.3
60.08154	5.7
61.02895	0.1
62.64469	0.1
67.05493	0.9
69.03416	0.2
69.07047	0.3
69.75491	0.5
70.06214	0.1
70.06557	0.2
71.04955	0.1
71.07363	2.5
75.91031	0.1
79.05480	0.6
81.03400	0.4
81.07046	0.8
83.04971	0.2
83.08604	0.2
85.02892	0.4
86.03231	0.1
86.09691	27.8
87.10026	0.3
91.03903	0.1
91.05469	0.4
93.07033	0.5
95.04952	0.2
95.08595	0.3
97.02890	0.2
97.10147	0.1
98.20675	0.1
98.98447	2.3
99.08094	0.1
104.10730	3.0
105.07024	0.3
107.04940	0.2
107.08572	0.3
109.06516	0.1
109.10153	0.3
111.08136	0.1
114.61666	0.1
117.07027	0.1
117.10849	0.1
119.08540	0.4
121.10169	0.2
124.99986	17.0
125.09633	0.1
128.17529	0.1
129.16223	0.1
131.08545	0.2
133.10118	0.2
135.11665	0.3
137.06067	0.1
143.01050	0.2
145.10167	0.1
147.11650	0.2
149.09666	0.2
157.10138	0.1
163.01479	0.1
166.02643	0.2
175.11203	0.1
184.07312	100.0
185.07669	0.9
193.12207	0.2
211.13426	0.1
222.08881	0.5
224.10480	0.2
227.12633	0.1
240.09966	0.1
255.15874	0.1
257.16617	0.1
267.16043	0.1
316.28491	0.2
354.13168	0.1
438.22360	0.1
469.20557	0.2
491.22772	0.1
494.25662	0.1
522.24640	0.1
551.28113	0.2
618.33447	0.1
622.33765	0.4
648.35162	0.5
678.35950	0.4
690.36066	0.2
742.43091	0.2
744.44586	0.4
760.43835	0.4
778.44934	2.9
779.41815	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
55.05502	41.1
57.03429	18.8
57.07064	3.9
59.04996	3.6
60.08124	0.7
61.02920	4.2
65.03933	2.8
65.76810	0.7
67.05494	100.0
68.05810	1.3
69.03421	3.1
69.07059	18.6
69.68563	0.7
71.01344	1.4
71.04974	4.8
71.79328	1.5
73.02902	1.1
79.05479	45.0
80.06223	0.7
81.03414	6.6
81.07043	61.5
82.07379	1.1
83.04978	6.4
83.08607	16.1
85.02892	16.1
85.06532	4.1
86.09693	2.2
87.04448	7.8
87.04873	0.8
91.03947	1.8
91.05468	27.0
93.07031	44.8
95.04958	6.8
95.08593	41.6
95.09214	1.7
96.08932	1.1
97.02879	3.9
97.06524	3.5
97.10154	19.7
97.10741	1.3
99.08102	1.3
103.03939	1.6
105.07020	18.4
107.04970	2.4
107.07844	1.1
107.08579	31.6
109.06520	2.9
109.10140	51.8
110.10500	0.9
111.04430	1.2
111.08078	3.9
115.05441	1.1
117.06997	8.3
119.08564	16.6
121.06499	1.0
121.10124	19.2
123.08086	2.1
123.11667	4.5
124.99982	1.4
125.09612	16.6
127.11153	0.8
129.07031	1.9
131.08546	11.6
133.06445	1.0
133.10115	9.8
135.08046	1.2
135.11668	14.1
135.12633	0.9
137.09598	2.3
137.13387	1.0
139.11214	1.7
143.08575	2.6
143.10684	3.1
145.10101	9.6
147.08017	1.8
147.11670	6.8
149.09644	2.0
149.13245	5.2
151.11119	1.7
153.12764	1.5
155.08653	0.8
155.10696	2.3
157.10141	1.6
159.11653	5.8
161.13242	4.3
163.11151	5.2
163.14830	3.3
165.12842	1.0
167.08617	0.7
169.14560	0.8
169.16254	0.9
171.10355	0.7
171.11690	1.6
173.09567	1.4
173.11784	12.2
173.13295	4.9
175.11238	0.8
175.14862	1.8
181.12263	1.8
184.07336	9.0
185.13219	1.6
187.14864	2.5
189.11261	1.7
191.10638	1.4
193.12292	2.4
197.13193	0.7
199.13240	8.7
199.14726	0.9
201.16348	0.8
209.11804	2.8
217.14412	1.8
227.12701	7.0
229.14311	41.4
230.14810	1.2
236.84634	0.7
241.14503	1.5
243.21082	3.7
245.13879	2.5
247.16988	1.1
257.13931	1.0
259.20529	1.3
261.22110	14.0
261.24716	1.1
267.15768	4.4
269.17661	0.9
271.20471	0.9
277.21667	1.3
283.15457	2.5
289.21704	1.9
299.15356	0.7
300.15237	0.8
301.16425	14.8
301.19434	1.1
317.24762	2.2
327.23349	1.0
333.24429	1.8
335.25751	67.6
336.26367	3.6
363.25241	1.7
419.27902	0.8
451.32382	1.1
459.34830	0.9
469.32986	1.1
477.35696	9.1
489.35669	12.1
490.36237	1.7
517.35699	0.9
543.36755	5.5
561.37677	8.8
579.38812	2.6
690.35242	1.6
723.44177	1.0
776.42609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05504	19.0
56.45174	1.0
57.03158	1.1
57.03429	14.3
57.07060	2.8
58.06593	1.2
59.04973	1.1
60.08163	4.4
61.02908	3.4
65.03928	3.3
65.19258	0.9
67.05494	55.7
69.03419	8.8
69.07059	16.4
71.04984	9.6
71.07357	3.4
71.08617	9.6
71.80898	1.3
73.02905	2.9
79.05481	40.3
80.05799	2.2
81.03407	46.0
81.07040	60.3
82.03716	1.1
82.07388	1.7
83.04964	18.2
83.08609	22.3
85.02894	18.8
85.06525	3.5
86.09692	32.3
87.04425	1.2
87.62964	0.8
91.03960	2.0
91.05466	44.0
92.05802	1.7
93.07029	46.9
95.04955	20.7
95.08596	21.5
96.05299	1.4
96.08920	1.3
97.02868	6.2
97.06510	9.6
97.10159	6.1
98.98449	2.3
99.04431	3.6
99.08077	10.5
103.05460	1.6
104.10732	3.0
105.04532	1.3
105.07016	29.1
106.07362	2.3
107.04933	8.1
107.08578	24.4
108.08910	1.4
109.02870	2.5
109.06511	7.3
109.10136	11.8
111.04439	2.2
111.08050	9.2
113.05962	2.6
113.09634	1.8
115.05447	2.0
117.06992	9.0
119.04913	2.9
119.08566	24.7
120.08881	1.6
121.06486	3.9
121.10127	16.3
122.10419	1.0
123.08047	4.3
123.11674	2.8
124.99973	18.0
125.09598	4.7
127.03879	3.7
128.06282	1.2
129.05475	1.6
129.06978	11.7
131.04939	1.3
131.08534	15.9
133.06483	3.3
133.10114	17.7
135.08023	2.9
135.11662	8.8
135.38896	0.9
137.09567	5.0
137.13287	1.0
139.07513	1.1
139.11119	1.9
141.06981	1.9
142.07802	3.6
143.08557	3.7
145.04912	1.5
145.10100	9.0
147.04376	7.4
147.07993	2.6
147.11665	15.7
149.09575	5.6
149.13232	8.9
151.11165	10.6
155.08467	1.1
157.10094	11.9
159.11676	7.9
161.09590	1.8
161.13266	5.7
163.11143	8.7
165.12704	2.8
171.11638	3.3
173.04457	1.7
173.11777	1.2
173.13210	2.7
175.11147	9.4
175.14827	2.1
177.12733	2.9
179.14304	4.0
181.12276	0.9
183.11601	1.2
184.07317	100.0
185.07681	2.9
185.13185	1.4
187.14822	1.2
189.11203	1.7
193.12218	23.1
194.12640	1.4
195.13745	3.9
197.13202	1.5
199.14838	1.1
205.08533	1.0
211.11259	1.8
211.13257	35.3
212.13576	1.6
213.78362	0.9
214.09013	1.1
227.12651	5.8
229.14265	1.8
233.15387	1.0
241.19559	2.1
243.15807	1.4
248.09666	2.1
249.09178	2.2
251.16463	1.7
253.14510	0.9
255.15845	1.8
259.20493	5.3
267.15875	18.8
268.16125	2.3
269.17432	25.7
270.17786	1.8
275.20163	5.0
277.21631	8.8
285.16907	31.4
286.17151	1.7
287.18304	1.9
333.24142	2.3
341.23935	1.0
349.23593	3.1
351.25275	19.5
369.26047	1.2
374.75464	0.9
413.21741	1.9
423.27341	2.5
437.29193	2.1
439.26572	1.1
443.27615	1.7
449.28848	2.5
455.26028	1.1
461.28986	21.6
462.28909	1.5
463.30524	4.6
467.18604	1.1
479.29990	52.6
480.30301	3.6
481.30832	4.3
503.33255	3.0
507.33038	1.9
521.32892	1.0
525.35645	2.7
529.35211	2.4
542.35327	1.4
543.36298	13.7
544.36835	1.5
561.37769	21.4
562.38605	1.4
579.38373	1.7
623.33966	3.2
708.41321	3.6
776.42450	2.7
777.40320	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	776.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.05505	3.3
56.05034	0.6
57.03434	2.2
57.07061	0.4
58.06355	0.2
58.06618	0.5
59.04987	0.5
60.08155	6.8
61.02913	0.7
65.03922	0.7
67.05495	17.9
68.05822	0.3
69.03419	1.5
69.07057	4.6
69.81662	1.5
70.06583	0.2
71.01345	0.3
71.04984	7.5
71.07365	3.0
71.08617	0.3
73.02927	0.3
74.72703	0.2
74.85674	0.2
79.05480	8.5
80.05816	0.2
81.03408	2.7
81.07043	10.8
82.55568	0.2
83.04971	2.8
83.08614	2.1
85.02887	1.1
85.06520	1.2
86.09693	32.2
87.04460	0.2
87.10017	0.4
91.03915	0.3
91.05466	7.2
92.05798	0.3
93.07029	9.9
94.07347	0.2
95.04955	2.0
95.08594	5.4
95.92748	0.2
97.02875	0.8
97.06517	2.8
97.10138	1.2
98.20766	0.4
98.98447	2.7
99.04440	0.4
99.08083	0.7
103.05412	0.2
104.10732	2.8
105.07013	4.7
107.04939	1.2
107.08578	5.8
109.02863	0.4
109.06493	1.0
109.10139	11.1
109.67729	0.2
110.10483	0.3
111.04417	0.3
111.08072	1.2
113.06003	0.3
113.09633	0.3
117.06992	2.1
119.08558	4.9
121.06514	1.0
121.10127	3.2
123.08059	0.6
123.11672	0.7
124.99982	21.9
125.09583	0.8
127.03890	0.7
128.06139	0.2
129.05377	0.2
129.06981	1.1
131.08557	2.6
133.06451	0.4
133.10103	3.6
134.26112	0.2
135.08032	0.8
135.11671	4.8
137.05957	0.3
137.09605	3.2
140.74310	0.2
141.06952	0.4
142.07726	0.2
143.00992	0.2
143.08504	0.8
145.04950	0.2
145.10112	2.7
147.08029	0.3
147.11647	1.6
149.09563	1.8
149.13255	1.6
151.11174	0.7
155.08571	0.4
155.10629	0.5
157.10091	1.0
159.11679	1.7
161.09595	0.5
161.13188	0.6
163.11168	1.9
167.10641	0.2
169.10072	0.4
169.12236	0.5
171.11630	0.5
173.04457	0.5
173.11702	1.6
173.13245	0.5
175.11176	0.3
177.12712	0.6
178.95998	0.2
179.14284	1.0
181.12187	0.8
183.11765	0.3
184.07317	100.0
185.07674	1.4
185.13147	0.3
187.13269	0.3
189.11137	0.3
193.12151	0.5
195.13696	0.5
201.12750	0.2
211.13206	0.8
227.12759	1.0
229.14281	0.8
229.19373	0.2
237.14871	0.2
239.18016	0.2
243.15924	0.9
247.20432	0.3
253.14381	0.6
255.15866	1.7
257.19003	0.9
267.15781	0.7
269.17432	1.6
275.20013	2.8
277.21555	0.2
285.17078	0.5
287.11478	0.2
287.18469	4.2
293.20776	0.2
302.35965	0.2
331.22626	0.4
349.23642	2.4
351.24890	0.3
367.24719	0.2
405.26511	0.2
409.25769	1.5
421.29630	0.2
423.27353	4.6
424.27707	0.3
431.27725	0.4
435.27402	4.2
437.28961	1.2
444.75061	0.2
449.23193	0.3
449.28931	4.1
450.28644	0.3
463.30484	0.3
467.30005	1.1
479.29843	0.4
481.31586	8.3
482.31693	0.6
485.32318	0.6
489.31750	0.2
501.35883	0.3
503.33594	5.7
504.33609	0.5
517.34949	0.7
521.34473	0.7
529.27991	0.2
529.35254	3.1
530.35498	0.2
535.36011	0.4
543.36694	1.2
547.36017	0.4
561.37714	3.0
567.31543	0.5
579.39014	1.0
593.32831	1.0
625.34601	0.3
726.43280	12.7
727.43585	1.4
777.40192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05509	0.6
56.05027	0.6
57.03426	0.4
58.06312	0.2
58.06623	0.5
59.07385	0.1
60.08156	5.9
61.02932	0.1
64.90118	0.1
67.05496	3.0
69.01402	0.1
69.03419	0.3
69.07063	0.9
71.04984	0.9
71.07364	2.9
71.08636	0.2
71.80862	0.1
72.16699	0.1
79.05483	1.6
81.03415	0.8
81.07045	1.7
83.04964	0.5
83.08628	0.4
85.02880	0.3
85.06521	0.1
86.09695	30.6
87.10030	0.4
91.05464	1.5
93.07036	1.8
95.04978	0.5
95.08600	1.1
97.02873	0.2
97.06524	0.3
97.10155	0.3
98.98449	2.6
99.08079	0.2
99.57801	0.1
104.10728	2.6
105.07017	1.0
107.04956	0.2
107.08582	1.3
109.06512	0.3
109.10147	1.4
111.04412	0.1
111.08087	0.2
117.07011	0.4
119.08554	1.0
121.06466	0.1
121.10145	0.6
123.08015	0.2
123.11745	0.1
124.99988	19.6
125.09597	0.2
127.03930	0.1
129.05455	0.1
129.06964	0.2
131.08546	0.5
133.10107	0.8
135.08066	0.1
135.11659	0.7
137.09627	0.3
143.01019	0.2
143.08533	0.1
145.10129	0.5
147.08012	0.2
147.11667	0.3
149.09589	0.2
149.13229	0.3
151.11148	0.2
155.08487	0.1
157.10075	0.2
159.11673	0.2
163.11162	0.4
166.00166	0.1
166.02640	0.1
169.10202	0.1
173.11745	0.1
173.13177	0.1
175.11089	0.2
179.14307	0.2
184.07320	100.0
185.07687	1.2
193.12177	0.2
195.13879	0.1
211.13121	0.1
229.14433	0.1
243.15948	0.1
255.15894	0.4
259.20413	0.1
267.15857	0.4
269.17429	0.3
271.15286	0.1
275.19952	0.4
277.21585	0.1
285.17059	0.2
287.18433	0.5
291.19461	0.1
293.20798	0.1
331.22678	0.1
333.23746	0.1
349.23575	0.3
405.26434	0.1
409.25909	0.2
423.27432	0.7
427.30170	0.1
435.27542	0.4
437.28915	0.2
449.28857	0.6
463.30481	0.1
479.29626	0.3
481.31656	1.2
503.33301	0.7
529.34961	0.4
534.32007	0.1
543.36469	0.6
547.36066	0.1
561.37823	0.4
606.32349	0.1
726.43323	11.2
727.44055	0.9
744.44293	0.1
776.44568	0.1
777.39307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.9
56.61926	0.3
57.03408	0.4
59.50798	0.3
61.02897	0.5
61.31236	0.3
65.03930	2.7
67.05466	1.2
69.03424	2.9
70.38194	1.6
71.04960	0.6
73.02881	0.6
78.04696	2.4
79.05460	1.5
81.03375	1.3
81.07018	0.4
82.04159	0.7
83.04959	0.6
85.02892	5.0
87.04444	0.6
89.25316	0.3
91.05476	4.3
93.03403	0.5
95.04970	2.1
97.02872	2.2
97.06503	1.1
103.05437	1.3
105.04474	0.5
105.07014	0.6
106.04162	1.6
107.04942	2.5
108.02100	0.5
109.02837	0.9
110.03623	1.7
111.04440	1.5
115.05436	6.1
115.67944	0.3
117.06189	0.6
117.06997	9.5
119.04931	4.3
119.08587	0.4
121.06490	0.3
122.03609	0.7
123.04412	8.2
124.05198	3.0
125.05980	2.0
127.03911	0.6
127.05379	1.0
129.06926	0.5
130.04086	0.3
131.04880	1.8
132.05707	0.7
133.02826	0.7
133.06430	0.8
134.03627	0.7
137.04973	0.5
137.05963	7.6
138.03076	0.9
139.03851	0.4
142.02579	0.6
143.04918	0.9
144.05679	0.7
145.06458	14.5
145.07602	0.7
147.04388	6.1
147.08008	1.1
147.26248	0.4
149.05956	0.6
151.03899	2.5
151.07469	1.2
152.04678	2.2
153.05421	1.2
155.04898	0.5
155.06006	3.2
158.64540	0.3
160.05154	0.6
161.05980	1.8
162.06676	0.4
163.07500	0.7
165.05438	1.5
166.02641	0.3
167.07016	100.0
168.07339	0.8
171.06514	3.3
173.05959	21.8
175.07532	2.1
177.05437	0.6
179.07018	2.1
181.04933	59.5
188.04753	0.8
189.05449	0.5
190.06139	0.5
191.06992	1.3
194.07372	0.5
201.05449	1.1
203.06993	3.2
205.08563	6.8
206.07222	0.4
207.06505	0.5
207.10107	0.7
209.08067	0.5
217.08551	0.7
219.06468	1.2
221.08006	0.6
222.06850	0.4
223.07565	0.4
231.06506	1.5
233.08038	6.1
234.06718	0.5
234.08873	0.7
235.07504	0.7
235.09618	6.0
237.09044	0.7
247.07622	0.4
250.06274	0.7
251.06956	0.5
259.09976	0.3
263.06940	0.6
264.07895	0.5
265.08612	1.4
280.07169	0.4
282.08929	0.5
283.09720	0.4
293.08032	1.5
294.08734	0.4
295.05997	0.7
295.09460	0.5
297.11139	1.6
303.04938	1.7
307.09418	0.4
309.07391	0.7
310.08414	1.6
311.09149	0.5
325.10718	2.5
326.11584	0.9
327.08548	0.7
329.13876	0.9
342.10892	0.7
353.10370	1.0
355.11459	0.6
357.13287	7.1
367.11993	0.5
370.14194	0.4
385.12756	27.6
386.13522	1.1
387.14291	3.6
397.12918	1.4
403.13745	2.2
415.13803	3.2
416.14728	1.2
417.15405	16.8
549.39288	0.4
565.21057	0.8
577.19806	0.6
583.21808	0.6
595.21759	0.7
613.22784	15.6
614.23212	0.5
709.24188	0.4
775.27985	30.2
776.28455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.8
56.09695	0.3
56.39856	0.3
57.03405	0.7
58.01247	0.3
61.02898	0.9
65.03931	3.5
66.04684	0.3
67.05460	1.0
68.02589	0.3
68.99763	0.3
69.03105	0.3
69.03418	3.7
71.79698	0.4
71.80048	0.3
73.02870	0.7
75.04485	0.3
77.03931	0.3
78.04700	2.9
79.05473	2.1
81.03401	1.4
82.04166	1.0
85.02890	5.4
87.04440	0.5
91.05461	5.3
93.03378	0.5
94.04182	0.4
95.04961	2.0
95.08554	0.4
97.02871	2.4
97.06499	1.1
99.04395	0.4
103.05448	2.5
105.03364	0.3
105.06998	0.5
106.04144	1.4
107.04940	3.4
108.02074	0.5
109.02843	0.7
110.03655	1.9
111.04420	1.6
113.48605	0.3
115.05433	5.8
117.07001	9.8
117.14246	0.3
118.51450	0.3
119.04925	4.3
119.08546	0.5
121.06497	0.5
121.56036	0.3
122.03601	0.6
123.00760	0.3
123.04415	7.8
124.05192	2.7
125.05960	2.0
127.03878	0.8
127.05392	1.6
129.06938	0.4
130.04108	0.4
131.04906	2.0
132.05635	0.4
133.02820	0.8
133.06514	0.5
135.04376	0.6
137.02209	0.3
137.05968	8.7
138.03067	1.0
139.03822	0.4
142.02583	1.2
143.04880	0.8
144.05679	0.7
145.02821	0.4
145.06465	16.1
145.92163	0.3
146.06918	0.4
147.04379	5.5
147.07993	1.3
148.05122	0.5
149.05954	0.7
151.03905	3.2
151.07521	1.8
152.04666	1.9
153.05420	1.2
155.04832	0.2
155.06013	4.3
155.07204	0.4
157.06442	0.4
159.04375	0.4
160.05194	0.8
161.05908	1.4
162.06763	0.3
163.07498	0.7
165.05479	1.5
167.07014	100.0
168.04181	0.4
168.07361	2.3
171.06505	3.9
172.05109	0.6
173.05962	24.6
174.06482	0.4
175.07507	2.3
177.05315	0.6
179.06981	2.4
181.04930	61.6
182.05254	1.4
183.06453	0.4
187.07455	0.4
188.04701	0.4
189.05396	0.7
190.06216	0.5
191.07011	2.3
193.04958	0.4
193.08597	0.6
195.06546	0.6
200.04720	0.4
201.05444	1.2
202.06055	0.4
202.31203	0.3
203.07010	3.6
205.08575	6.8
207.06424	0.6
207.08217	0.4
207.10127	0.7
209.08022	0.4
211.07672	0.3
213.05432	0.4
217.08546	0.9
219.06487	1.2
221.06114	0.4
221.08073	0.9
222.06616	0.6
231.06528	1.0
233.05783	0.6
233.08034	6.4
234.06696	0.6
234.08769	1.0
235.07661	0.4
235.09618	7.7
237.09109	0.5
247.09770	0.3
250.06265	0.8
251.06979	0.9
262.06223	0.3
263.06876	0.6
264.07855	0.4
265.08508	1.3
267.06607	0.5
267.09894	0.4
269.11679	0.3
277.08685	0.4
279.06281	0.5
281.07974	0.5
282.08963	0.7
283.09583	0.5
293.07990	1.4
294.08969	0.5
295.06281	0.4
295.09360	0.7
297.08197	0.5
297.11063	1.9
299.09161	0.6
307.09335	0.5
309.07681	0.5
310.08282	1.7
311.09021	0.8
313.10791	0.4
315.12082	0.4
323.09192	0.4
325.10684	2.7
326.11469	0.9
327.08704	0.5
327.12030	0.7
329.13840	1.0
339.12579	0.4
342.11005	0.9
351.12146	0.4
353.10205	1.0
354.11084	0.5
355.11780	0.7
357.13293	7.6
358.13580	0.5
365.10233	0.3
367.11786	0.5
369.13257	0.7
370.10147	0.4
385.12766	29.4
386.13211	1.8
387.14343	4.3
397.12775	1.8
399.14337	0.9
403.13696	2.2
415.13669	3.8
416.14716	1.2
417.15375	10.1
418.16153	0.4
515.16901	0.5
535.19147	0.3
547.18756	0.3
565.20709	1.1
577.19324	0.9
583.21844	0.5
595.21271	0.9
613.22717	17.3
614.22876	0.9
775.27930	28.3
776.28192	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	774.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05045	0.5
57.07084	0.2
58.06625	0.4
59.07399	0.2
60.08158	6.3
62.06303	0.1
63.57308	0.1
67.05501	0.5
69.07065	0.3
69.51540	0.5
69.51974	0.6
71.07368	2.9
71.08625	0.1
79.05471	0.3
81.07055	0.4
86.09699	30.7
87.10043	0.4
91.05488	0.2
93.07034	0.3
95.08615	0.3
98.98463	2.6
104.10732	2.1
107.08584	0.2
109.10162	0.1
112.11246	0.1
124.99993	19.4
125.09615	0.1
143.01033	0.4
159.11865	0.1
166.02733	0.2
174.19028	0.1
184.07330	100.0
184.43350	0.1
185.07660	1.3
197.83249	0.1
265.70337	0.1
291.19696	0.1
330.07370	0.1
333.02817	0.1
499.75360	0.1
603.46027	0.2
756.55310	6.1
757.55188	0.4
775.40076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
55.05245	1.0
55.05505	16.0
55.50826	0.7
57.03430	17.9
57.07047	2.2
61.02927	1.7
65.03922	2.4
67.05495	62.3
69.03405	3.7
69.06695	1.2
69.07056	15.4
69.51461	1.8
69.51868	7.6
71.04985	4.8
79.05482	39.7
81.03405	78.2
81.07043	61.4
83.04974	6.3
83.08609	21.0
85.02888	1.8
85.06518	2.9
91.05467	31.0
93.07033	42.7
94.07352	0.9
95.04955	27.8
95.08595	41.9
96.08924	1.2
97.02866	2.8
97.06509	5.4
97.10154	6.5
98.20907	3.4
98.21522	1.7
99.08084	2.2
105.07013	23.6
107.04941	5.6
107.08577	25.7
109.06503	4.6
109.10142	19.8
111.04417	1.9
111.08060	7.5
115.05448	2.1
115.39184	0.8
117.07004	6.4
119.04875	1.1
119.08563	24.3
121.06490	4.3
121.10130	25.1
123.04398	2.3
123.08024	3.1
123.11670	6.4
125.09591	5.0
128.06195	0.9
129.06970	10.0
131.08559	18.5
132.08949	0.9
133.06488	2.6
133.10121	13.9
135.08026	2.1
135.11659	12.2
137.09569	1.8
137.13248	2.2
142.07750	3.4
143.08516	2.5
145.10094	10.5
147.08037	3.2
147.11668	14.1
149.09656	4.0
149.13206	7.0
155.08539	1.2
157.10107	12.9
159.11711	8.8
161.09631	1.1
161.13239	5.1
163.11111	2.7
163.14801	3.5
165.12740	2.8
169.10121	1.5
171.11650	2.6
173.13231	6.9
175.11171	9.4
175.14761	3.2
177.16335	1.6
183.11606	1.1
184.07231	1.4
185.13216	2.2
187.14719	2.0
189.11206	3.1
191.14243	0.9
193.12218	22.2
199.14853	1.7
201.16304	1.4
205.12199	1.0
211.13206	1.7
215.18013	0.9
227.12758	8.5
235.13390	1.2
239.21817	0.8
243.21088	6.5
249.14864	2.4
261.22110	19.7
267.15875	100.0
268.16306	4.0
273.14651	1.1
285.22134	1.4
299.23523	1.5
301.14282	1.1
301.25272	7.3
303.23297	0.8
309.16858	3.0
317.24713	2.6
335.25757	94.3
336.26053	4.8
359.25925	1.3
417.26279	1.3
417.31326	1.5
421.25677	2.0
435.27399	2.9
435.32620	5.0
449.29184	1.2
453.33575	7.4
469.32828	0.9
471.34616	3.4
475.30551	0.9
509.36087	1.4
527.37268	63.1
528.37738	6.1
545.38300	53.9
546.38489	5.4
559.39691	1.8
569.38177	6.2
587.38440	1.1
623.39197	1.7
635.38843	1.6
653.39209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.0
55.05500	35.4
56.05846	1.6
57.03432	22.6
57.07071	2.9
61.02914	8.0
62.29823	1.2
62.81329	1.4
65.03922	4.7
67.05497	83.0
68.05819	2.4
69.03419	11.9
69.06688	1.7
69.07061	32.9
70.98620	2.7
70.98947	1.6
71.04982	9.5
71.08620	2.7
73.02905	2.9
79.05485	78.5
80.05817	3.3
81.03409	69.5
81.07046	89.1
82.03735	1.6
82.07374	3.0
83.04502	2.2
83.04968	25.7
83.08609	35.2
85.02896	37.0
85.06535	7.8
86.03256	1.7
86.09699	3.6
91.03947	3.1
91.05469	100.0
92.05817	1.9
93.03368	1.7
93.07034	77.0
94.07364	1.8
95.04958	39.2
95.08598	43.3
96.08936	1.7
97.02889	10.9
97.06526	16.4
97.10145	6.1
99.04427	1.8
99.08054	5.0
103.03912	1.6
103.05450	2.4
105.07018	89.7
106.07329	3.3
107.04948	12.2
107.08585	37.5
108.08930	2.7
108.49886	1.4
109.02892	2.2
109.06506	12.1
109.10140	23.0
110.10501	2.5
111.04410	3.6
111.08080	13.6
113.05992	2.8
115.05437	4.8
117.07006	24.3
119.08561	60.8
119.09402	3.7
120.08904	1.4
121.06483	7.6
121.10126	34.0
123.08040	6.5
123.11702	5.3
124.99967	2.2
125.09605	3.9
127.03934	3.7
128.06200	3.4
129.05444	4.9
129.06978	23.1
130.73270	1.4
131.08556	40.8
133.06453	4.6
133.10114	57.5
134.10489	3.7
135.08011	5.6
135.11678	13.9
137.09595	5.8
139.11220	1.6
141.06982	2.5
142.07751	7.7
143.08557	10.1
145.04962	1.7
145.06479	1.7
145.10121	21.2
147.08041	7.4
147.11668	42.6
149.09583	18.3
149.13217	13.7
151.11174	7.1
155.08533	2.4
157.10115	26.3
158.10451	2.5
159.11668	19.9
161.09578	2.8
161.13269	13.5
163.11186	9.1
163.14854	1.9
165.12732	4.7
169.10115	3.3
171.11685	9.8
173.04358	1.7
173.09569	2.7
173.13231	9.2
175.11166	20.2
175.14771	7.0
177.12724	4.1
179.14293	3.3
181.10138	1.8
183.11710	3.3
184.07309	14.2
185.13243	7.6
187.14819	3.0
191.10704	1.9
193.12219	56.3
194.12558	2.3
195.11772	1.3
195.13797	6.3
197.13252	3.2
199.14803	3.7
203.14169	1.7
207.13788	1.5
209.16747	1.5
211.13258	67.2
212.13652	4.6
213.16327	2.5
219.13690	2.1
220.95786	1.4
227.12761	3.5
229.14278	2.4
231.21037	2.6
233.15475	1.7
239.18013	2.0
241.19492	12.2
247.16905	1.5
247.20557	1.5
250.72298	1.3
253.14360	8.4
254.14642	4.5
257.18994	7.5
259.20581	43.0
267.15933	26.7
268.16040	2.4
269.17422	18.1
273.18655	2.8
275.20050	19.1
281.17285	2.1
283.15427	5.0
285.16946	58.6
286.17245	4.8
291.19495	4.1
292.19839	1.8
293.21054	10.0
301.21417	2.0
305.21161	1.7
315.23090	4.4
333.24222	36.1
335.25479	1.8
349.23691	10.8
367.24438	3.0
433.30933	3.0
439.26602	2.6
451.32166	4.2
461.28848	7.9
465.28091	2.0
477.28397	3.5
479.30008	29.4
483.28409	2.9
515.37549	3.2
525.35748	17.2
541.34705	4.2
543.36682	44.1
544.36670	2.9
549.26471	2.0
557.34918	1.7
559.36261	10.3
561.37549	3.0
575.35413	1.7
576.36426	1.6
577.36761	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	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.5
55.05506	34.3
57.03430	26.1
57.07069	3.7
61.02913	7.4
65.03925	5.8
66.07958	1.7
66.33700	1.4
67.05499	83.1
69.03419	13.6
69.07064	29.6
70.98817	3.8
71.04973	8.7
71.08646	1.9
73.02911	4.9
77.03928	3.1
79.05022	3.9
79.05487	82.5
81.03413	66.7
81.07049	91.1
82.04182	2.5
83.04968	26.8
83.08612	31.3
85.02905	27.1
85.06544	6.6
86.09693	2.1
89.45210	1.5
91.03949	3.8
91.05469	100.0
93.07034	76.0
95.04443	1.1
95.04961	41.0
95.08597	44.6
97.02869	13.1
97.06519	13.4
97.10170	11.2
99.04440	2.1
99.08105	6.1
103.05464	2.5
105.04507	1.8
105.07018	88.1
105.52959	1.5
107.04935	14.9
107.08585	40.0
108.64925	1.6
109.02898	2.7
109.06507	12.1
109.10151	16.3
111.04426	3.7
111.08077	15.6
113.05983	2.7
115.05470	3.2
116.04681	2.4
117.07008	23.9
119.08570	70.3
121.06493	4.9
121.10144	31.8
123.04422	1.8
123.08034	9.7
123.11691	5.4
125.09630	10.1
127.03923	4.2
128.06203	3.2
129.05484	14.1
129.06976	26.1
131.08554	38.8
133.06450	4.0
133.10114	53.9
135.08064	6.0
135.11676	18.2
137.09613	5.4
141.06998	2.9
142.07788	4.3
143.07050	1.6
143.08556	9.4
145.10104	22.6
147.08020	6.0
147.11674	47.4
149.09610	13.1
149.13239	16.2
151.11188	4.4
153.12714	2.4
155.08521	4.2
157.08656	5.9
157.10132	31.1
159.08060	2.3
159.11690	23.8
161.13240	17.2
163.11148	10.7
163.14909	1.7
165.12769	5.0
169.10133	4.7
171.10249	2.5
171.11609	14.9
173.04439	2.3
173.11906	2.5
173.13200	10.7
175.11172	18.2
175.14728	7.9
177.12717	4.7
179.10709	1.8
179.14333	2.1
183.11688	3.2
184.07388	6.1
185.13257	8.2
187.11246	2.5
187.14839	2.2
189.11194	3.6
193.12221	49.3
195.13837	4.6
197.13261	3.2
199.14850	4.0
201.16422	2.1
203.14325	2.1
211.13272	62.4
212.13623	2.0
213.16492	2.6
215.14218	1.9
227.12785	5.1
231.21121	2.5
239.18002	2.2
240.96408	1.7
241.19510	20.0
247.20729	2.0
257.19031	6.9
259.20563	46.9
267.15906	24.7
269.17447	14.7
273.18573	1.6
275.20071	17.6
277.21735	2.3
283.15369	5.8
285.16934	51.9
291.19525	2.1
293.21133	2.3
301.16437	12.8
301.21481	2.1
315.23212	4.0
331.22781	1.9
333.24283	31.4
349.23776	11.0
433.30878	3.1
451.31802	4.5
461.28922	6.8
469.33307	2.6
477.28323	3.0
479.30066	24.7
507.34229	2.4
525.35724	14.8
541.35321	3.6
543.36719	33.4
559.36353	12.3
577.37238	5.2
690.01697	2.0
799.71594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.8
55.05504	23.5
57.03157	1.3
57.03427	20.4
57.07064	2.5
59.04987	1.1
59.95439	0.8
61.02928	3.9
65.03931	2.9
67.05494	60.7
68.23978	0.7
69.03424	10.4
69.07056	24.7
71.01353	1.4
71.04982	6.3
71.05621	0.8
71.05931	1.4
73.02911	2.6
79.05480	49.7
81.03406	67.8
81.07042	73.3
83.04973	21.1
83.08607	29.0
85.02894	26.1
85.06525	3.7
86.09702	0.8
91.03948	1.4
91.05465	55.0
92.94904	0.8
93.07030	53.0
93.27095	1.0
95.04952	29.1
95.08591	29.0
97.02883	7.9
97.06516	16.4
97.10158	7.5
99.04431	1.5
99.08090	3.3
103.05432	1.8
105.07013	38.4
107.04939	12.3
107.08582	29.1
109.02856	1.6
109.06510	9.5
109.10139	9.9
111.04438	3.7
111.08068	11.3
113.05993	2.3
113.09604	0.8
115.05444	2.9
117.06994	12.2
119.04911	1.2
119.08562	31.3
119.09412	1.6
121.06487	5.2
121.10129	20.2
123.04402	0.9
123.08043	6.1
123.11708	3.4
125.09615	3.8
127.03902	2.7
127.07493	1.3
128.06209	1.1
129.05482	1.8
129.06987	12.0
130.07748	1.3
131.08549	24.4
133.06512	3.1
133.10107	26.6
135.08041	3.5
135.11664	12.6
135.12634	0.9
137.05977	0.8
137.09592	4.0
139.11227	1.3
141.06990	0.8
142.07776	3.5
143.08549	3.5
145.06528	1.2
145.10097	11.9
147.08011	4.6
147.11664	23.5
149.09595	14.4
149.13220	11.4
151.11165	2.3
153.09001	0.9
155.08519	2.3
157.10118	15.4
159.11667	11.5
160.08809	1.0
161.09621	2.3
161.13254	2.9
163.11143	7.7
165.12724	4.0
166.13120	0.9
169.10114	1.1
171.11641	2.3
173.04427	1.9
173.13268	3.9
175.11172	15.3
177.12682	4.0
179.10825	0.9
179.14359	1.5
181.12233	0.9
184.07362	3.1
185.13216	1.1
189.16328	0.9
193.12213	43.7
195.13818	4.9
197.13129	1.0
199.14810	1.3
201.12721	1.1
205.12270	1.0
211.13260	63.3
212.13638	1.0
213.13013	1.0
213.14825	1.6
227.12845	2.3
229.14282	1.0
229.19530	1.6
239.18080	1.4
247.20515	2.0
249.14793	1.7
253.14302	1.1
255.15857	12.7
257.18970	6.2
267.15866	33.1
268.16226	1.2
269.17441	33.5
270.17896	1.3
273.18622	1.2
275.19989	18.7
285.16931	63.7
286.17422	1.4
293.17755	1.2
293.21143	2.3
298.80106	0.9
331.22687	1.2
349.23706	17.7
358.83469	1.0
367.24823	3.5
369.24225	1.0
413.21616	2.1
421.25494	1.0
429.26141	0.9
439.27051	1.9
443.27844	2.8
447.27338	10.8
449.30099	0.9
461.28912	36.7
462.29056	1.6
465.28427	17.0
467.31607	1.1
479.29993	100.0
480.30090	4.5
541.35260	11.2
549.30402	0.9
559.36255	25.9
560.36218	1.9
577.37341	6.1
623.33862	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.3
55.05249	2.1
55.05501	34.7
57.03164	1.9
57.03425	21.9
57.07046	1.3
61.02906	5.3
65.03918	3.5
67.05494	77.1
69.03413	13.2
69.06700	2.1
69.07058	37.2
71.01324	3.0
71.02729	3.4
71.04984	9.9
73.02909	2.5
79.05481	69.7
81.03403	84.2
81.07043	99.5
82.07401	1.2
83.04970	31.5
83.08612	39.2
85.02893	30.6
85.06527	6.1
91.05467	81.2
93.07031	68.2
95.04955	42.8
95.05424	0.7
95.08589	40.3
97.02879	9.2
97.06516	21.0
97.10160	9.3
99.04404	2.4
99.08073	4.5
103.05419	1.2
105.04534	1.3
105.07015	60.4
107.04939	18.6
107.08578	37.4
109.02847	2.9
109.06516	14.1
109.10138	13.7
111.04414	5.0
111.08061	17.6
113.05988	4.2
113.09634	1.9
115.05439	3.0
117.06999	22.0
119.08566	42.1
121.06475	6.3
121.10120	28.7
123.08025	6.9
123.11671	7.2
125.06024	1.4
125.09603	5.5
127.03903	3.5
127.07507	1.6
129.05505	2.7
129.06989	18.4
131.08551	36.3
133.06502	3.7
133.10103	36.8
133.11043	2.4
135.08052	6.5
135.11668	18.2
137.09610	5.8
141.06961	2.8
142.07745	3.7
143.08527	4.2
145.04942	1.7
145.06479	1.7
145.10094	18.1
147.08000	6.0
147.11665	27.9
149.09608	24.1
149.13242	9.8
151.11165	3.0
155.08511	2.5
157.10103	21.9
159.11659	15.8
161.09584	1.3
161.13245	4.6
163.11160	14.2
165.09140	1.7
165.12741	5.5
169.10097	2.3
171.08215	1.4
171.11702	3.2
173.04462	3.3
173.13232	5.7
175.11174	21.7
177.12723	5.2
179.14293	2.4
181.12209	1.5
183.11656	3.4
184.07222	1.9
189.11263	2.2
193.12213	53.8
195.13776	8.5
197.13229	3.1
211.13255	71.9
212.13571	3.4
213.12846	1.3
221.82312	1.3
227.12709	8.0
229.14310	3.6
229.19632	1.5
235.16887	1.6
239.17937	2.9
247.20563	2.3
249.15018	1.4
251.16400	2.3
253.17986	1.5
255.15823	23.1
257.18997	14.0
267.15860	40.5
268.16284	2.6
269.17426	43.6
270.17654	1.9
275.20038	43.3
285.16913	77.4
286.17386	2.4
293.21167	4.1
309.20453	1.6
321.24344	2.6
331.22690	2.5
339.18011	1.7
349.23676	42.6
350.23990	2.8
367.24701	5.2
413.21771	4.1
419.24008	1.5
437.25327	2.2
443.27722	4.6
447.27386	12.6
455.26157	1.9
461.22479	2.2
461.28952	40.8
462.29129	2.9
463.30389	3.0
465.28421	32.9
466.28470	2.6
479.29977	100.0
480.30267	6.6
501.31403	1.7
519.33118	2.4
523.33942	2.9
541.35181	20.4
542.34094	1.4
559.36218	48.3
560.36853	2.9
577.37177	11.2
605.32800	1.8
623.33929	7.4
689.99377	1.4
762.42401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05503	33.4
57.03431	17.0
57.07059	5.8
59.04965	2.2
61.02905	11.1
65.03925	5.1
66.01793	1.7
67.05493	88.9
69.03415	8.0
69.07061	32.1
69.97026	11.8
71.01330	1.9
71.04971	6.2
71.08607	2.5
73.02901	5.2
79.05479	73.8
81.03406	7.8
81.07039	88.4
83.04981	5.2
83.08611	17.6
85.02899	10.9
85.06540	4.2
91.03934	6.3
91.05465	74.4
93.07027	93.4
95.04950	15.2
95.08595	66.9
95.09215	3.1
97.02905	8.5
97.06517	4.3
97.10131	8.5
98.18643	1.6
98.21397	3.4
99.08082	2.3
103.05479	2.8
104.19959	2.0
105.07014	68.4
107.04914	3.5
107.08569	56.6
109.06483	5.5
109.10143	28.7
111.04443	3.0
111.08067	4.2
113.06011	2.0
115.05429	2.5
117.06995	26.9
119.08559	54.7
121.06454	3.2
121.10121	39.2
123.08037	5.9
123.11667	10.4
127.03904	2.2
128.06212	3.7
129.07011	17.0
131.08549	36.9
133.10110	47.3
133.11017	1.6
135.08028	5.2
135.11676	28.3
137.09621	3.7
137.13239	2.6
141.06989	4.3
142.07764	5.2
143.08542	17.5
145.10100	35.1
145.11238	2.6
147.11659	43.7
149.09601	3.9
149.13254	17.4
155.08516	6.1
157.10098	17.2
159.11673	31.0
161.09537	3.7
161.13234	30.0
163.11124	2.2
163.14819	7.1
169.10109	7.1
171.11678	19.1
173.09523	1.8
173.13206	24.7
175.14806	15.3
177.12708	2.5
181.10010	4.1
183.11642	7.2
184.07346	5.2
185.09653	2.1
185.11839	2.1
185.13206	13.4
187.11105	3.1
187.14812	9.2
189.12698	1.8
189.16391	4.5
197.09610	2.5
197.13231	5.3
199.14787	8.3
201.16379	5.4
203.17903	2.1
209.13203	3.1
211.14824	4.9
213.16389	2.6
215.17899	4.1
216.77016	1.7
223.14824	2.4
225.16440	3.1
227.17972	2.2
231.21040	4.9
239.17938	3.3
241.19508	27.8
243.21088	6.1
257.19006	8.2
259.20538	52.4
260.20740	2.8
261.22089	12.2
271.20551	2.4
273.22205	2.5
275.20093	2.5
285.22232	2.5
301.21573	5.2
311.23413	2.2
313.21295	2.4
315.23157	4.1
317.24640	2.4
325.21332	3.9
333.24161	41.3
334.24969	1.9
335.25751	96.6
336.26434	2.5
337.27295	5.0
339.22940	3.1
343.22540	3.2
349.21637	3.7
351.25735	2.3
353.28329	2.2
367.22723	4.3
383.39554	1.9
385.23276	3.0
441.26202	3.5
459.27142	2.9
519.42059	4.1
529.38385	2.5
537.42993	2.6
593.46069	9.5
601.44293	4.5
609.44940	3.8
611.46606	100.0
612.47107	3.4
623.45966	2.9
635.46313	3.0
655.27203	1.9
677.47894	2.5
681.07928	1.9
689.47162	2.5
701.47223	5.5
719.48065	4.1
737.49561	4.2
755.49841	4.8
773.51929	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04997	0.8
58.06580	0.3
60.08157	6.9
66.36192	0.2
67.05463	0.4
69.52092	0.9
69.52509	1.8
71.07360	3.1
84.87070	0.2
86.09695	31.7
91.05437	0.4
98.21428	0.5
98.98447	3.0
104.10727	3.0
108.63920	0.2
124.99988	21.1
141.07088	0.3
143.01015	0.3
184.07321	100.0
185.07668	0.4
207.89720	0.2
237.82816	0.2
250.91730	0.2
258.25449	0.2
276.61697	0.2
353.00601	0.2
380.84927	0.3
552.67993	0.3
612.86890	0.3
772.54749	10.3
773.53882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05021	0.6
57.07044	0.2
58.06320	0.2
58.06629	0.6
60.08151	6.6
60.80730	0.1
63.99045	0.1
66.91933	0.1
67.05494	0.4
69.07051	0.4
70.06579	0.2
70.11010	0.1
71.07359	3.0
71.39748	0.3
81.07041	0.2
86.09689	30.3
87.10021	0.3
91.05464	0.3
93.07030	0.2
95.08580	0.3
98.98447	2.8
104.10729	2.2
105.07019	0.1
107.08538	0.1
111.87995	0.1
124.99983	19.2
135.11650	0.1
141.56276	0.1
143.01048	0.4
164.38272	0.1
166.02594	0.2
179.57922	0.2
184.07309	100.0
185.07657	0.5
389.38824	0.1
434.76462	0.1
496.33456	0.2
538.34943	0.1
601.44153	0.5
604.56097	0.1
631.49500	0.2
754.53711	5.4
755.53967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.7
55.05244	1.4
55.05499	22.5
57.03434	16.3
57.07052	1.5
58.98391	1.0
61.02918	4.1
65.03928	4.3
67.05494	59.4
68.05831	1.1
69.03413	7.9
69.07054	25.9
70.69852	3.9
71.04993	8.8
73.02884	2.2
73.38485	1.1
74.24038	1.1
77.03915	1.3
79.05479	46.8
80.05838	1.2
81.03407	53.1
81.07043	70.2
82.07361	1.6
83.04963	22.0
83.08605	24.5
85.02888	22.0
85.06532	7.4
86.03248	1.0
86.09695	2.1
87.04447	1.6
91.05466	77.1
92.05798	1.8
93.07033	45.6
93.25169	1.0
95.01353	1.2
95.04952	31.3
95.08590	25.3
97.02838	5.1
97.06509	9.0
97.10149	6.3
98.20803	1.4
99.04442	2.4
99.08082	2.2
103.05425	1.4
105.07013	59.9
107.04936	15.5
107.08581	40.9
109.06502	14.6
109.10139	50.7
110.10496	1.3
111.04453	2.2
111.08063	10.1
113.05981	5.1
115.05417	3.1
117.07001	10.4
118.83708	1.2
119.04930	1.4
119.08569	29.8
121.06497	9.1
121.10136	14.0
123.04439	2.2
123.08057	6.9
123.11689	10.6
125.09621	3.8
127.03842	1.7
127.07520	3.6
128.06230	1.6
129.06993	14.1
131.04935	1.6
131.08554	22.4
133.06503	6.3
133.10107	75.1
134.10458	2.4
135.07988	8.0
135.11678	4.7
137.09624	3.2
138.81123	1.0
139.07562	1.4
139.11147	1.4
142.07768	3.8
143.08531	5.1
143.76630	1.0
145.06532	1.5
145.10115	9.0
147.08025	6.3
147.11668	15.5
148.12036	1.7
149.09608	11.5
149.13254	2.1
151.11166	26.3
157.10095	15.0
159.08005	2.3
159.11725	2.0
161.09627	6.6
161.13234	2.2
163.07417	1.1
163.11160	5.6
165.12764	2.7
169.10033	1.5
169.12248	5.4
171.11682	4.5
173.13258	1.8
175.11191	15.0
177.09061	2.7
177.12756	1.3
179.10669	2.6
181.10132	1.3
184.07343	9.1
185.13179	1.8
187.11197	1.6
189.12761	1.9
193.12213	38.2
195.13834	1.8
195.56573	1.2
199.11218	1.2
211.13261	64.4
212.13577	1.5
215.12674	3.0
215.14546	1.4
223.13301	2.2
227.12695	2.8
227.17912	2.3
231.13838	1.1
245.18968	2.9
249.14902	1.8
251.12903	1.9
253.14314	100.0
254.14713	3.3
255.17564	2.2
263.20029	3.4
267.15878	25.6
268.16229	1.3
269.17383	1.7
271.15491	3.0
273.18454	24.3
275.20044	2.9
283.15402	3.2
285.16916	60.4
286.17261	2.1
287.20108	1.3
291.19498	33.2
292.19833	2.4
309.20593	2.6
347.22113	9.8
349.23688	1.7
365.23203	37.7
366.23386	1.7
374.49948	1.2
445.25668	2.5
460.18369	1.3
463.26849	23.5
464.27206	1.2
465.29144	1.2
477.28589	2.8
481.27908	29.4
482.28223	1.3
539.33655	4.7
543.36774	3.3
557.34650	30.6
558.35211	2.3
561.37714	1.7
575.35657	64.5
576.35699	5.0
772.39813	2.1
783.55725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.8
55.05507	32.0
57.03431	18.2
57.07055	2.8
57.24987	1.2
57.64646	1.1
59.04986	2.7
61.02906	4.7
65.03909	3.6
67.05496	62.2
69.03416	7.6
69.07060	24.7
70.63872	3.4
71.01338	1.3
71.04985	7.4
73.02908	2.3
73.06529	1.4
79.05483	59.4
81.03406	39.2
81.07045	85.1
82.56187	1.2
83.01324	6.8
83.04974	22.4
83.08613	22.9
85.02890	14.8
85.06526	5.2
86.09705	1.8
91.03913	1.4
91.05469	58.0
93.07034	64.5
95.04955	23.2
95.08011	1.8
95.08594	31.8
97.02861	7.1
97.06512	14.7
97.10159	7.6
99.04436	4.4
99.08075	3.0
103.05439	2.8
105.06339	2.4
105.07019	43.2
107.04945	16.6
107.08582	43.1
109.02815	2.8
109.06522	13.9
109.10140	25.5
111.04430	4.8
111.08083	9.4
113.06018	2.1
113.09646	1.4
115.05437	3.1
117.07007	16.1
119.04896	1.4
119.07746	1.8
119.08569	30.1
121.06519	9.7
121.10131	24.0
123.04488	1.3
123.08059	13.6
123.11684	6.1
124.99988	2.1
125.05977	3.3
125.09653	5.5
127.03905	2.3
127.07517	2.5
128.06186	1.7
129.05460	1.6
129.06989	9.6
130.07742	2.4
131.04887	1.6
131.07814	0.7
131.08551	23.0
133.06491	5.6
133.10115	36.5
135.08028	8.3
135.11684	20.1
137.06070	1.4
137.09587	4.9
138.92725	1.2
139.07509	2.1
139.11259	1.2
141.07011	1.3
142.07732	1.9
143.08528	4.1
145.06483	3.5
145.10106	24.7
147.08034	6.0
147.11661	10.9
149.09630	12.5
149.13261	8.6
151.11177	9.9
153.12737	2.8
155.08463	2.8
157.10104	10.5
159.08026	3.0
159.11671	7.8
161.09596	3.3
161.13246	3.2
163.09804	1.4
163.11168	25.4
165.08994	1.6
165.12669	2.0
169.10091	2.3
171.11682	2.7
173.04507	1.9
173.09622	5.0
173.13216	4.0
175.11145	7.1
177.09029	1.6
177.12759	3.1
179.10712	1.4
181.12209	4.3
184.07317	7.4
185.13405	1.1
187.11188	1.6
189.11140	1.8
189.12753	2.0
191.10614	1.6
193.12216	14.8
195.13794	4.1
209.11659	6.1
211.11288	1.8
211.13272	23.0
215.12622	1.6
227.12784	5.2
229.19603	1.5
239.17993	2.1
243.17506	1.2
245.18886	2.7
249.14928	2.4
253.14351	18.5
255.15872	7.7
255.18109	1.1
257.18979	4.4
263.20013	1.7
265.14230	1.4
267.15948	10.7
269.14453	1.4
269.17435	31.0
273.18488	11.2
275.20068	15.6
283.15384	72.2
285.16956	17.7
291.19485	13.9
347.22083	5.0
349.23752	13.3
365.23120	14.0
367.24780	4.7
413.21509	1.2
445.25879	1.2
459.27414	2.6
463.26865	28.4
477.28442	100.0
478.28815	3.7
481.28149	6.8
494.28839	1.3
501.28458	1.9
539.33368	4.5
557.34650	31.4
575.35742	29.9
621.32428	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	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61444	0.8
55.01871	13.1
55.05502	37.9
57.03431	20.5
57.07061	1.6
59.04976	2.3
61.02910	4.0
65.03940	3.3
67.05495	60.2
68.05817	0.8
69.03422	12.9
69.07059	38.2
69.07433	1.9
70.97976	1.6
71.01362	1.0
71.04979	7.5
71.08625	0.9
73.02904	2.4
77.34489	0.9
79.05482	60.0
81.03407	53.2
81.07044	70.6
83.01331	4.1
83.04974	21.9
83.05482	1.1
83.08608	29.8
85.02896	18.8
85.06530	3.4
91.03956	2.4
91.05465	51.7
92.05741	0.8
93.07030	56.5
94.07344	1.3
95.04955	31.0
95.08594	28.2
96.05331	1.2
97.02878	13.7
97.06517	14.7
97.10152	16.3
99.04451	3.1
99.08089	2.7
103.05450	0.9
105.04534	1.5
105.07013	42.3
107.04933	20.4
107.08577	34.1
108.79183	0.9
109.02876	1.4
109.06497	9.4
109.10148	13.7
111.04450	5.0
111.08063	9.7
113.05997	1.7
115.05398	1.8
117.07001	18.2
119.04951	1.7
119.08562	35.1
120.05651	0.8
121.06501	7.2
121.10126	20.3
123.04411	1.6
123.08061	11.5
123.11699	3.8
125.05975	1.9
125.09603	12.1
127.03886	2.7
128.06206	1.1
129.05511	1.6
129.06975	11.4
130.07767	2.3
131.04912	1.5
131.08549	22.7
133.06474	5.8
133.10107	19.5
134.07245	1.0
135.08052	6.8
135.11696	13.5
137.06046	0.9
137.09605	4.9
139.07483	1.1
141.06938	1.3
142.07771	2.5
143.08563	6.3
145.05008	1.1
145.06477	1.9
145.10109	21.5
147.08025	9.3
147.11670	16.6
149.09599	13.5
149.13228	5.7
151.11195	2.5
153.09061	1.2
153.12732	2.0
155.08530	2.4
157.10114	14.1
159.08014	1.3
159.11664	7.9
161.08441	0.8
161.09540	4.8
161.13266	1.9
162.10405	1.1
163.11163	19.2
165.09074	1.9
165.12727	3.6
169.10095	2.0
169.12202	0.9
171.10252	1.5
171.11673	2.0
173.04456	2.2
173.09642	2.7
173.13251	1.8
175.11150	12.1
177.12747	3.6
179.14281	1.3
181.10039	1.4
181.12192	3.1
183.11821	0.8
184.07407	1.6
185.13245	1.0
187.11125	1.1
189.11227	5.6
191.10757	1.8
193.12222	27.9
195.13843	3.9
197.13313	1.1
203.14192	1.0
205.12297	1.4
209.11708	3.8
211.13263	44.4
212.13705	1.0
219.13898	1.4
223.13254	18.7
227.12726	14.0
229.14220	1.4
239.17903	1.9
245.19067	1.7
247.13095	0.9
249.14908	5.0
255.15738	6.9
257.19064	3.4
267.15875	32.7
269.17413	13.9
273.18469	13.4
275.20050	13.2
283.15375	46.2
285.16928	43.4
291.19498	100.0
292.19946	3.1
293.21039	1.3
303.00613	0.9
303.15866	0.8
309.20505	1.4
331.22644	1.1
347.22067	4.0
349.23703	13.5
365.23178	53.8
366.23608	2.3
367.24792	0.9
378.62341	0.9
413.21576	0.9
437.25177	1.3
445.25769	1.8
459.27271	4.0
461.28934	1.1
463.26865	14.6
477.28406	56.9
478.28729	2.7
493.27798	1.1
495.29486	2.5
517.31897	1.2
529.35120	1.7
539.33606	2.4
557.34680	57.5
558.34839	2.6
575.35699	78.9
576.35901	3.6
582.09430	0.9
621.32288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.6
55.05505	35.9
57.03168	1.3
57.03429	22.8
57.07047	2.0
57.21788	1.1
58.55310	1.2
59.04993	30.2
61.02914	1.2
65.03927	3.1
67.05495	83.7
69.03417	6.7
69.07058	15.2
70.06597	1.0
71.01340	2.1
71.04984	18.8
79.05025	2.4
79.05484	45.9
81.03406	100.0
81.07044	46.5
83.04973	17.2
83.08608	28.1
85.02905	7.7
85.06523	5.7
87.03951	2.1
87.04459	31.5
91.05467	47.7
91.06046	2.3
93.03359	1.5
93.07034	36.1
95.04958	35.9
95.08595	23.5
97.02876	10.4
97.06506	9.6
97.10154	18.5
98.20733	2.6
99.04437	11.2
99.08041	2.1
101.06051	1.6
102.54832	1.1
103.05441	2.9
105.06330	2.2
105.07016	30.0
107.04944	21.8
107.07920	1.9
107.08585	26.2
109.02886	2.3
109.06525	12.4
109.10143	52.2
111.04427	12.3
111.08062	12.4
113.06002	1.9
115.05396	2.4
117.07006	10.0
119.04910	2.8
119.08570	28.7
121.02840	3.6
121.06491	9.4
121.10133	23.7
123.04420	6.8
123.08049	7.2
125.05950	2.8
125.09610	13.9
128.06206	1.3
129.06987	18.9
131.04883	2.6
131.08554	21.5
133.06458	7.8
133.10107	17.3
135.04372	6.6
135.08080	5.6
135.11673	9.9
137.05939	4.6
137.09607	5.4
139.07545	1.4
139.11163	1.4
141.06949	1.5
142.07742	3.7
143.08546	4.0
145.06454	3.5
145.10077	11.9
147.04372	3.8
147.08031	9.0
147.11662	18.1
149.05963	2.7
149.09618	19.8
151.11160	1.9
153.09113	6.9
153.12733	10.1
155.08519	3.2
155.10623	2.9
157.06491	1.7
157.10104	20.2
159.08005	2.6
159.11678	1.7
161.05977	5.0
161.09558	2.9
161.13237	1.9
163.03879	1.6
163.07570	1.4
163.11159	17.9
165.12721	3.8
167.08569	1.2
167.10666	3.8
169.10086	2.7
171.07996	2.2
171.10208	1.9
171.11688	2.5
173.09554	3.4
173.11699	11.0
173.13150	2.6
175.11166	20.0
177.12724	1.4
179.10605	1.8
181.12215	7.6
183.11674	1.8
184.07274	1.9
185.06012	1.3
185.13222	4.0
187.07501	1.6
187.11101	2.7
189.09366	1.6
189.11191	15.2
189.12744	1.8
191.10658	8.6
193.12219	61.1
194.12563	1.6
195.13797	1.4
197.15346	2.9
199.11395	1.9
199.13264	8.4
201.12775	1.2
203.14246	4.8
205.12221	3.9
207.13739	1.9
209.11661	12.7
211.11385	2.0
211.13266	57.0
213.12732	1.5
217.12265	2.5
217.14304	2.4
219.13757	2.8
221.15367	3.2
223.13252	4.4
225.12785	2.9
225.14745	12.9
227.10457	1.5
227.12726	21.2
229.12161	1.9
229.14314	39.8
231.13800	5.6
233.11670	1.6
235.13268	5.0
241.14310	2.6
243.13695	2.1
247.13339	11.1
249.14809	19.8
251.12677	1.6
253.14340	1.5
259.13019	1.6
259.15390	3.4
263.16312	2.2
265.14468	1.5
267.15884	65.7
271.13242	1.6
273.14868	4.8
275.12872	1.6
277.14325	2.7
283.15402	20.2
287.16309	1.2
289.14276	1.5
295.15265	1.4
299.18436	2.1
299.69046	1.5
301.14285	3.1
303.15552	1.4
309.16940	2.8
315.18015	5.1
319.20584	1.3
321.16873	2.8
327.23172	1.4
333.19049	1.7
337.21719	5.6
355.22589	9.9
365.20950	10.8
373.23724	7.3
383.22165	29.0
397.23468	1.9
401.23203	27.2
403.24725	3.1
405.25726	1.4
415.24753	4.1
419.24170	1.8
421.25851	36.3
429.26169	1.4
433.25925	8.5
439.25003	2.1
447.27161	3.6
451.26550	1.8
457.25787	11.0
459.27228	2.1
475.26874	31.7
476.26984	1.3
479.29785	2.0
489.28250	5.0
493.27817	11.6
507.29514	29.3
517.27686	3.3
525.30463	14.9
529.27399	2.0
590.53174	1.4
763.46802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.3
55.05249	2.0
55.05504	31.3
57.03428	21.9
59.04990	34.3
61.02905	1.4
64.53294	1.0
65.03934	2.5
67.05493	87.8
67.17704	1.0
69.03407	6.7
69.07059	13.8
71.01337	2.0
71.04983	15.3
71.12280	2.6
71.12622	1.3
73.02924	2.0
79.05479	47.6
81.03404	100.0
81.07046	41.7
82.03766	1.9
83.04969	19.9
83.08609	30.6
85.02898	8.5
85.06528	4.6
87.04451	37.7
91.05463	44.1
93.07030	37.5
95.04954	38.5
95.05531	2.5
95.08595	20.2
97.02885	9.0
97.06528	9.6
97.09585	1.7
97.10151	15.9
99.04453	10.2
99.08066	1.3
105.07019	27.2
107.04935	20.7
107.08585	23.3
108.63943	1.1
109.02888	1.9
109.06504	9.0
109.10139	61.5
111.04424	10.6
111.08072	14.4
113.05988	1.9
115.05460	2.6
117.07007	10.8
119.04935	2.3
119.08559	30.3
121.02859	5.6
121.06490	9.2
121.10123	26.4
123.04377	6.4
123.08043	4.8
123.11702	3.0
125.05986	1.6
125.09609	14.7
127.03883	1.9
129.06990	17.6
131.04907	1.6
131.08553	21.5
133.06465	6.2
133.10103	16.3
135.04393	6.7
135.08064	6.2
135.11685	9.9
137.05939	4.1
137.09567	4.8
139.07562	1.6
141.07028	2.5
142.07788	2.0
143.08583	4.6
145.06471	4.8
145.10098	10.2
147.04395	3.7
147.08025	8.3
147.11664	17.2
149.05972	4.0
149.09595	20.2
151.07507	1.9
151.11127	1.4
153.09102	6.5
153.12712	9.7
155.08536	2.2
155.10591	3.0
157.06494	2.1
157.10100	18.4
159.08109	2.8
159.11649	3.0
161.05916	5.8
161.09662	3.2
161.13274	1.8
163.03928	2.0
163.11147	15.1
165.12749	3.6
167.10640	2.8
169.10085	2.2
171.10201	1.6
171.11639	2.2
173.09619	2.3
173.11725	14.5
173.13167	2.0
175.11168	19.1
177.12712	2.0
181.12236	8.6
183.11687	2.8
185.09607	1.3
185.13254	3.0
187.11134	3.5
189.11194	11.5
189.12785	2.8
191.10571	6.7
193.12213	58.7
195.11714	2.4
197.09589	1.8
197.15352	3.5
199.13245	7.9
203.14322	2.8
205.12254	2.9
209.11693	15.3
211.11308	2.2
211.13258	52.3
213.12772	1.6
215.10779	2.0
217.12349	2.0
217.14336	1.7
219.13815	3.5
223.13359	4.0
225.14804	11.6
227.12743	20.6
229.12198	2.5
229.14307	46.4
231.13797	5.5
233.11780	1.6
235.13228	5.8
241.14348	1.8
247.13234	7.9
249.14818	17.9
251.12630	1.5
259.13153	2.9
259.15555	1.5
263.16418	1.6
265.14380	2.0
267.15875	67.7
268.16241	1.8
271.13251	1.8
273.14505	2.4
277.14191	1.2
283.15369	14.4
289.14172	2.2
295.15344	2.8
299.18530	1.7
301.14359	3.7
307.15195	1.4
309.16953	3.1
315.17938	5.0
321.16949	3.4
333.19147	1.3
337.21530	4.6
347.19934	3.1
355.22641	8.0
357.24176	1.4
365.21136	8.8
373.23599	6.2
375.17767	1.9
383.22110	29.3
391.24753	2.1
401.23157	23.0
403.24457	1.6
409.26102	1.5
415.24591	5.7
419.24103	3.6
421.25806	44.0
429.26169	1.4
433.25748	8.4
439.24832	1.8
447.27368	3.9
451.26633	1.7
457.25775	8.1
459.27164	2.9
463.26892	2.4
475.26822	26.5
489.28311	5.2
493.27795	8.0
507.29495	24.2
517.27576	3.2
525.30652	9.7
529.27576	3.2
651.32623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	1.6
55.05441	9.2
55.05730	0.8
57.03366	4.1
57.07008	1.7
61.02853	12.9
61.03202	1.2
62.72147	0.4
65.03859	1.4
67.05425	18.3
67.05827	1.5
69.03346	8.0
69.06986	9.5
69.48537	5.4
71.01278	1.1
71.04911	1.7
71.05260	0.5
73.02836	7.3
73.03275	0.5
73.50661	0.5
79.05407	13.0
81.03331	3.3
81.07047	20.9
81.07473	1.4
83.04908	0.9
83.08600	4.6
85.02895	10.8
85.03681	0.4
85.06461	1.3
86.09620	0.5
87.04406	0.5
91.03947	6.4
91.05464	11.8
93.07033	14.0
93.07582	0.7
95.04974	2.3
95.08597	16.2
97.02879	10.3
97.06436	1.6
97.10162	2.8
99.04359	1.4
101.02278	1.8
103.05395	0.5
104.99061	0.4
105.07018	12.3
107.04872	1.0
107.08588	9.5
107.09261	0.5
109.02805	1.3
109.06394	1.1
109.10143	8.2
111.08014	0.9
111.11649	0.6
115.05355	1.1
117.05429	0.5
117.07005	7.0
119.08562	10.2
121.10120	6.0
123.07957	1.5
123.11614	1.6
125.09542	0.9
127.03822	2.0
128.06120	1.8
129.07001	7.1
131.08560	10.5
133.06438	0.6
133.10110	8.8
135.11685	5.2
137.13159	1.2
139.57213	0.4
141.06981	4.0
142.07767	2.3
143.08556	10.7
144.09258	0.9
145.04855	1.0
145.06387	0.5
145.10107	10.9
147.11678	5.0
149.09480	0.5
149.13228	2.2
153.06898	1.1
154.07732	1.1
155.07352	0.6
155.08521	7.5
156.09233	0.9
157.10117	12.0
158.10774	0.8
159.07985	0.5
159.11664	8.0
161.13226	2.7
163.11063	0.6
163.14699	0.9
165.06906	1.2
166.07664	0.5
167.08574	3.7
168.09241	1.1
169.10106	11.9
170.10715	0.6
171.10399	0.6
171.11678	8.9
172.12169	0.5
173.13239	4.8
175.14725	1.3
177.16376	0.9
179.08559	2.2
180.09213	0.7
181.08565	0.6
181.10065	5.9
182.10756	1.3
183.10179	0.8
183.11664	11.0
184.07185	1.3
184.12277	1.1
185.09444	0.7
185.11778	0.5
185.13239	6.6
187.14792	2.9
189.16280	0.8
192.09262	0.5
193.10025	2.0
194.10851	0.9
195.11685	7.5
196.12352	0.8
197.11598	0.7
197.13228	8.2
198.13846	0.6
199.13120	0.6
199.14787	4.8
201.16316	1.1
203.14136	0.5
207.11687	2.7
208.12308	0.5
209.11679	0.5
209.13242	5.4
211.14803	6.5
213.16428	2.9
215.17848	0.6
219.11641	0.8
219.17426	0.5
221.13237	3.1
222.13707	0.7
223.14798	3.8
224.52437	0.6
225.16367	3.7
227.17882	1.5
231.11438	0.5
233.13220	1.1
235.14734	1.7
237.16374	3.0
239.17865	1.7
241.19595	0.9
247.14799	0.8
249.16333	1.2
251.17970	2.3
253.19565	1.0
257.18945	0.6
261.16190	0.6
263.17828	0.9
265.19424	1.0
277.19382	0.9
279.21033	0.5
281.22693	0.7
285.18503	0.6
291.21072	0.5
293.18765	1.0
295.20374	0.6
297.21896	0.7
309.21829	1.1
313.21481	0.7
321.22144	1.1
323.23715	1.4
325.21741	0.6
327.23044	0.7
337.25250	1.3
339.23093	0.7
341.24518	0.7
347.23990	0.7
349.25040	1.3
351.26654	1.2
355.26266	0.6
363.26733	0.6
365.28506	0.5
377.28540	0.9
379.29947	0.8
391.29755	0.6
395.29318	0.6
409.31110	0.6
417.31479	0.7
435.32272	0.9
447.32410	1.3
461.34332	0.8
473.32693	0.8
475.34756	0.6
484.88007	0.6
487.34811	0.5
499.39447	0.9
501.35626	0.9
508.01196	0.5
515.37500	1.0
517.40332	5.7
521.36139	0.7
525.35419	0.8
527.37231	1.3
535.41711	2.7
539.37262	2.2
541.38806	1.5
555.41425	0.7
573.41974	0.6
591.44006	6.7
592.44556	0.6
595.46948	1.4
607.43152	2.3
609.45074	100.0
610.45435	6.4
611.46698	1.1
621.45197	1.2
651.46307	0.8
701.41180	0.5
717.47217	0.9
735.48212	1.1
753.49213	1.3
771.50311	21.5
772.50720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01682	0.5
55.01868	5.7
55.05241	1.2
55.05502	16.3
57.03428	7.7
57.07058	1.2
57.63003	0.6
61.02909	0.9
65.03928	2.5
67.05495	48.6
68.10483	0.6
69.03428	3.7
69.06692	1.1
69.07059	20.1
70.98319	0.8
70.98656	1.3
71.04977	3.3
73.06551	1.8
77.03906	1.3
79.05481	56.5
81.03403	11.0
81.07043	50.7
82.53278	0.6
83.04967	12.9
83.05434	1.3
83.08608	11.2
85.02879	2.4
85.06535	3.2
86.09689	0.8
87.04476	0.7
91.05466	44.9
93.07030	60.9
94.07352	1.0
95.04955	16.6
95.08587	28.3
97.02870	1.9
97.06518	11.3
97.10169	4.8
99.04457	1.3
99.08105	1.1
105.04510	1.0
105.07014	36.1
107.04952	8.4
107.08575	23.4
109.02879	0.7
109.06509	7.3
109.10135	8.9
111.04433	0.8
111.08087	3.2
113.09560	1.2
115.05433	1.1
117.07005	12.4
119.08562	25.4
119.09426	1.4
120.08873	1.1
121.06487	3.2
121.10122	10.0
123.08041	5.3
123.11652	1.7
125.05911	0.8
125.09619	2.3
127.03914	2.6
127.07542	1.3
128.06203	1.7
129.06993	10.9
130.07700	0.9
131.08548	10.3
133.10114	16.5
135.08038	2.4
135.11681	8.7
137.09586	2.5
141.06972	1.4
143.08539	7.5
145.06537	1.0
145.10097	13.8
147.08064	1.4
147.11668	24.5
149.09605	7.2
149.13208	5.2
151.11151	1.2
155.08488	1.3
156.09187	0.9
157.10110	2.0
159.11678	8.1
161.09589	2.2
161.13232	8.5
163.11176	5.9
165.12724	0.9
169.10127	1.4
171.10205	1.2
171.11665	19.7
173.04463	1.9
173.13216	3.5
175.11197	0.8
177.12750	2.6
179.14334	2.2
181.12280	0.8
185.13188	1.2
189.11177	1.3
189.12706	7.1
195.13899	1.7
205.12193	0.8
207.13768	21.3
225.14847	1.8
227.12846	3.5
227.14876	0.7
229.19460	1.5
239.17990	2.2
247.20650	1.1
251.16315	0.7
255.15839	5.3
257.18921	5.9
263.16290	0.9
267.15887	1.9
269.17438	12.8
275.20038	21.4
279.15826	1.2
281.17429	56.1
282.17807	1.9
283.15463	1.1
293.21149	2.0
331.22537	1.9
349.23663	16.3
367.24789	2.3
413.21667	1.1
435.27582	2.3
451.26782	2.9
457.29388	1.3
459.31158	1.0
461.28903	29.2
462.29376	1.7
475.30493	100.0
476.30798	5.0
491.29822	1.0
502.80923	0.8
515.33423	3.0
527.37323	1.0
537.35614	2.5
555.36804	38.6
556.37048	2.4
573.37964	8.9
595.31299	1.2
619.34747	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	770.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.6
55.05503	25.5
55.14002	0.9
57.03429	11.6
57.07063	3.3
59.04995	1.3
61.02916	2.0
65.03938	4.3
67.05494	79.3
68.05804	1.5
69.03421	6.2
69.06680	2.1
69.07059	27.9
71.04980	6.1
71.08614	1.9
71.81497	1.7
73.02922	1.7
73.06543	1.6
77.03905	1.1
79.05482	92.3
79.62419	0.9
80.05817	2.6
81.03407	13.7
81.07044	81.0
82.07381	3.3
83.04977	19.9
83.05476	1.4
83.08602	12.9
85.02879	4.6
85.06529	4.4
86.09706	1.0
87.04427	1.2
91.05467	89.5
92.05804	4.3
93.07030	100.0
94.07369	3.5
95.04956	28.2
95.08592	44.5
96.08945	1.0
97.02866	5.1
97.06519	11.6
97.10155	6.1
99.04443	1.3
99.08080	3.7
103.05453	2.0
105.04514	2.4
105.07016	68.0
106.07344	2.3
107.04942	13.1
107.08578	35.7
109.02883	1.6
109.06506	11.0
109.10132	13.3
110.10449	1.0
111.04456	1.4
111.08068	5.8
115.05456	3.2
117.07005	21.4
117.07791	1.6
118.91519	1.0
119.08565	49.3
120.06999	0.9
120.08909	1.3
121.06500	6.4
121.10133	18.5
122.10453	1.0
123.08047	8.5
123.11710	2.1
125.09603	3.4
127.03915	2.2
127.07574	1.4
128.06226	4.1
129.05473	2.5
129.06984	24.7
130.07788	1.4
131.08553	18.0
131.54005	0.8
133.06474	2.8
133.10109	37.4
134.10484	1.7
135.08052	3.9
135.11673	11.5
137.08725	1.1
137.09641	4.0
141.06969	2.3
141.09081	1.6
142.07805	0.9
143.08543	13.7
145.06458	2.2
145.10109	24.3
147.08063	3.0
147.11661	55.6
148.11998	1.6
149.09578	8.5
149.13228	8.4
151.11157	4.1
155.08501	2.4
157.10107	7.7
157.94333	1.0
159.08070	2.3
159.11668	16.1
161.09595	7.2
161.13245	24.3
163.11115	5.5
163.14827	1.3
167.08548	0.9
169.10094	4.2
171.11665	30.7
172.12013	1.0
173.04518	1.6
173.13240	7.8
175.11166	2.2
175.14755	5.7
177.12695	4.4
179.14314	2.9
181.10129	1.2
183.11652	2.1
184.07332	5.3
185.13187	5.4
187.11134	2.1
187.14905	1.5
189.11209	1.5
189.12735	10.9
190.13046	1.0
191.14214	1.3
195.12029	1.3
195.13692	4.4
197.13264	2.0
199.14848	2.7
201.16322	1.0
207.13777	29.5
208.14105	1.9
213.16483	1.3
215.17923	1.2
225.14822	2.6
227.12741	2.1
229.19405	1.9
231.21071	2.7
233.15344	1.3
237.16539	1.0
239.17889	2.4
241.19450	10.7
251.12848	0.9
253.14241	5.7
254.14682	3.7
257.19052	5.3
259.20566	21.8
269.17438	11.7
273.18417	2.2
275.20010	14.3
277.21655	1.0
279.15814	8.4
281.17438	59.9
282.17847	3.8
291.19696	2.6
292.19778	1.8
293.21042	5.3
297.16925	1.4
313.21759	1.1
315.23178	2.2
331.22668	2.2
333.24188	16.4
349.23779	9.1
367.24738	2.4
435.26981	1.2
447.32373	3.1
457.29486	1.2
459.30878	1.2
461.28400	2.1
465.33517	2.8
469.79797	1.0
475.30518	46.0
476.30887	2.4
478.29071	1.3
479.29578	1.1
483.34357	2.2
497.31796	1.2
521.36041	1.6
527.36371	1.1
539.37274	30.6
540.38007	1.9
555.36566	10.1
557.38306	10.3
571.35864	1.5
572.36755	2.0
573.37213	11.1
608.42493	1.2
611.46552	4.2
751.19318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.8
55.05502	18.2
56.18151	0.5
57.03425	9.7
59.04990	1.7
59.34607	0.5
61.02911	0.9
62.57302	0.5
65.03942	1.8
67.05494	28.9
69.03415	7.2
69.07055	9.2
70.06588	1.3
70.81017	2.2
71.04977	6.9
73.02902	1.0
73.73043	0.6
77.03928	0.7
78.07634	0.6
79.05482	28.8
81.03405	74.8
81.07041	28.6
82.03752	1.4
83.04967	10.0
83.08605	24.1
85.02885	9.3
85.06550	2.8
86.09706	1.2
87.04456	1.4
91.05461	26.4
93.07030	20.0
93.07587	1.3
95.04954	26.4
95.08592	12.3
96.08908	0.8
97.02883	5.3
97.06519	5.9
97.10155	17.2
98.21371	0.7
99.04455	1.2
99.08078	1.6
103.05465	1.1
105.03405	1.3
105.07016	20.4
107.04935	14.2
107.08572	17.7
109.02901	2.0
109.06508	8.4
109.10132	9.1
111.04450	3.5
111.08057	8.2
113.06032	1.7
115.03924	0.7
115.05450	1.5
117.06987	7.1
119.04932	2.5
119.08553	15.6
121.06489	10.1
121.10122	11.5
123.04401	3.0
123.08064	5.1
123.11695	2.5
125.00024	1.0
125.06013	1.5
125.09609	16.3
127.03916	1.7
129.05515	1.4
129.06990	11.5
130.91829	0.8
131.04898	3.3
131.08539	14.4
131.09457	0.9
132.08919	0.9
133.06441	5.2
133.10095	9.1
135.04448	1.5
135.08026	6.3
135.11696	2.8
137.06004	1.5
137.09564	3.1
139.03889	2.9
139.07477	0.7
139.11165	1.3
141.06990	1.7
141.09161	0.7
142.07773	2.9
143.08575	3.0
145.06473	7.5
145.10109	5.6
147.04442	2.0
147.08047	6.6
147.11655	10.8
149.05986	0.7
149.09601	7.3
151.07547	1.0
151.11209	0.9
153.09048	3.5
153.12775	1.1
155.08548	2.1
157.06488	2.3
157.10104	14.0
158.10568	0.6
159.08063	2.2
159.11708	2.7
161.06004	2.0
161.09608	2.4
161.13144	0.8
163.11179	3.4
165.12706	3.0
167.10649	1.5
169.06514	1.0
169.10190	1.7
171.08061	2.5
171.10274	0.9
171.11685	3.1
173.04535	1.3
173.09619	2.4
173.11800	1.2
173.13179	1.3
175.07619	1.1
175.11159	10.7
176.11578	1.0
177.12770	1.2
179.08548	0.8
181.10141	0.9
183.08063	0.9
183.11809	0.8
184.07344	4.3
185.09605	1.1
185.13254	1.8
187.11218	1.6
187.14877	1.9
189.05513	0.9
189.11226	7.9
189.12784	2.0
191.03381	0.8
191.10573	0.9
193.12210	25.5
195.11674	2.3
197.09589	1.6
197.13245	2.1
199.11235	2.5
199.13275	1.5
201.12656	0.9
203.14398	1.1
205.08635	0.6
205.12306	1.2
205.15939	1.3
207.13773	1.1
209.09753	0.9
209.11598	0.7
209.13353	1.2
211.11217	1.2
211.13197	10.7
213.12764	1.5
215.14371	1.9
217.12256	1.1
219.10138	0.9
219.13710	3.2
223.11316	0.7
223.13277	2.0
225.12711	0.7
227.12617	8.1
227.14740	0.7
229.14326	2.5
231.10149	0.8
231.13803	2.1
233.15311	7.5
235.13249	1.2
237.12749	2.0
237.14900	1.5
239.14403	1.0
243.13795	1.1
245.15562	0.8
249.14874	2.7
255.13800	1.8
257.15366	0.9
259.13336	1.9
267.15869	41.2
268.16226	1.6
273.14661	6.2
273.17142	0.8
275.16446	1.2
283.15369	1.0
285.16980	5.4
287.05396	0.8
289.14194	0.8
289.17923	0.8
293.17480	2.4
301.14362	2.1
307.15472	2.4
309.16916	0.9
319.15701	0.9
321.22214	0.8
339.23276	2.8
341.21106	1.0
343.11826	0.7
349.21603	4.4
356.19574	0.7
357.24219	2.7
367.22675	13.0
368.22986	1.1
375.17828	1.2
385.23688	21.9
386.23996	1.4
403.24646	7.7
405.24344	0.8
411.20370	0.9
411.25656	0.8
421.25684	2.2
423.25751	1.2
429.21021	2.8
429.26291	1.4
433.25870	2.7
441.26251	9.6
446.25858	1.3
447.27234	1.0
449.28595	0.9
455.26440	1.0
459.27356	85.9
460.27496	4.8
477.28406	100.0
478.28857	6.5
491.30026	16.6
491.37140	1.0
501.28299	2.4
509.31116	14.1
510.31320	0.8
519.29449	2.3
541.34387	0.8
543.29175	1.5
543.37012	1.4
555.29272	0.9
561.30109	1.0
567.29456	2.3
573.30164	2.0
585.30536	7.0
603.31567	6.1
621.32513	8.4
622.32715	0.9
753.36749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.6
55.05503	24.8
57.03426	8.5
57.07037	1.2
59.04977	2.9
61.02912	2.7
64.24625	0.5
65.03904	2.1
67.05494	32.3
68.05819	0.7
69.03418	9.4
69.07058	24.2
71.01308	0.9
71.04978	4.2
71.80384	0.7
73.02885	1.5
77.03915	0.5
79.05479	33.9
81.03405	16.5
81.07042	31.5
82.03694	0.6
83.01327	5.3
83.04964	11.1
83.08606	15.2
85.02895	6.2
85.06544	2.4
87.04418	0.5
91.03925	1.1
91.05466	26.0
92.05747	0.6
93.07028	33.7
94.07319	0.8
95.01281	0.9
95.04952	13.8
95.08589	15.7
97.02878	11.0
97.05988	0.6
97.06514	7.3
97.10151	11.8
99.04405	2.3
99.08070	0.6
103.05437	1.3
105.03352	0.6
105.04436	0.9
105.07011	20.9
107.04264	0.6
107.04942	11.8
107.08574	20.1
108.08892	0.7
109.02851	1.2
109.05847	0.7
109.06508	7.7
109.10136	9.6
111.04403	2.2
111.08067	3.4
115.05396	1.3
116.06189	1.0
117.06997	12.2
119.04916	1.5
119.08564	18.3
121.06495	5.2
121.09270	0.7
121.10121	10.3
123.04471	1.0
123.08046	9.9
123.11616	1.1
125.05920	1.1
125.09609	9.4
127.03867	1.0
128.06184	1.0
129.06970	5.5
130.07716	2.2
131.04877	0.6
131.08551	12.3
133.06473	3.4
133.09171	0.9
133.10103	9.5
135.08041	4.4
135.11665	9.2
137.09587	3.3
141.06918	1.0
143.08554	4.6
144.08994	0.6
145.06444	2.2
145.09000	0.9
145.10098	15.1
146.08086	0.9
146.10489	0.7
147.08028	7.7
147.11668	5.1
149.05875	0.6
149.09592	2.9
149.13167	2.3
151.11116	1.6
153.09073	0.9
153.12680	2.0
155.08490	1.9
157.10098	3.2
159.08041	1.0
159.11671	3.6
161.09528	2.0
161.13202	1.1
162.10368	1.2
163.11150	16.8
165.09091	1.5
165.12674	0.6
167.08635	0.6
169.10049	1.5
171.10252	1.1
171.11662	2.7
173.04451	0.8
173.09518	2.6
175.11227	2.7
177.12688	1.5
181.10092	0.6
181.12169	2.5
183.11632	0.7
184.07304	2.5
185.13245	1.2
187.11095	0.7
187.13239	0.5
187.14799	0.9
189.11237	3.2
189.12706	1.0
191.10602	2.8
193.12259	1.5
195.13748	1.1
199.11281	0.6
201.12524	0.5
205.12148	1.0
207.13779	0.6
209.11609	4.6
211.13197	1.1
213.14622	0.7
213.16479	0.6
223.13252	16.9
227.12749	7.0
227.17738	0.7
239.18225	0.7
245.19081	1.1
249.14908	2.9
253.14316	2.1
255.17410	1.2
257.18964	1.0
265.14191	0.7
267.15891	4.1
273.18472	13.3
275.19992	3.6
281.17212	2.9
283.15359	69.8
284.15649	1.7
285.16956	0.7
291.19492	90.9
292.19885	1.5
309.20517	0.8
325.35587	0.6
347.22186	2.2
349.23694	2.0
365.23169	46.2
366.23718	0.7
453.24579	1.7
457.26169	0.7
461.29266	1.2
475.26144	0.9
475.31256	0.7
479.26663	0.9
493.27853	3.7
505.27805	1.2
541.35156	8.1
555.33990	2.9
573.34137	100.0
574.34174	3.7
591.35504	1.3
607.43585	0.9
608.43958	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	770.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.5
55.05503	36.9
57.03428	6.3
57.07046	0.7
59.04984	2.0
59.54933	0.4
61.02908	1.2
65.03919	1.8
67.05497	30.1
68.05822	0.6
69.03417	7.3
69.07061	9.4
71.01334	0.6
71.04980	3.3
71.08598	0.7
73.02902	0.5
74.53333	0.4
76.19999	0.5
79.04797	0.5
79.05483	27.2
81.03408	29.2
81.07044	25.1
81.07403	0.3
82.07358	0.7
83.04514	0.8
83.04971	10.0
83.08607	30.2
85.02895	9.7
85.06539	1.7
87.04462	0.6
90.98920	0.5
91.05469	34.1
92.05786	0.6
93.07034	18.6
95.04955	14.2
95.05463	0.3
95.05576	0.5
95.08590	7.7
97.02874	3.3
97.06515	3.3
97.10154	46.3
98.10563	0.5
99.04416	0.5
99.08077	1.1
101.09595	0.8
103.05437	1.2
105.04461	0.7
105.07018	14.2
106.79161	0.4
107.04942	5.4
107.08582	20.9
108.08858	0.5
109.02837	0.7
109.06506	6.0
109.10136	7.8
111.04430	2.0
111.08070	4.9
113.05997	1.3
115.05447	3.7
117.07005	16.6
119.04958	0.5
119.08568	39.9
121.06509	2.9
121.10128	4.4
123.04396	0.7
123.08028	1.9
123.11665	1.0
125.09618	39.7
127.03902	1.0
128.06184	1.8
129.06105	0.5
129.07001	7.5
129.07867	0.9
131.08553	9.2
133.06477	1.8
133.10104	7.0
135.08028	7.9
135.11653	1.6
136.08453	0.5
137.05939	0.6
137.09610	1.6
139.03865	1.0
141.06931	1.4
142.07744	2.0
143.08549	4.4
143.10648	1.7
145.06473	15.3
145.10118	3.7
147.08041	4.1
147.11665	7.3
149.09595	3.2
151.11124	0.5
153.09059	4.5
155.08536	2.3
157.10118	10.1
159.08051	6.5
159.11703	1.2
161.09486	1.2
163.07533	1.8
163.11160	1.4
165.12697	1.6
169.10115	1.7
171.10194	3.2
173.04448	0.7
173.09608	2.6
173.11713	0.8
175.11172	7.6
183.11685	0.9
184.07376	0.8
185.09604	0.7
187.11176	0.7
189.11197	25.2
193.12221	23.9
194.12578	0.6
195.13795	0.5
197.13217	0.6
207.11534	0.6
211.13263	43.5
218.52327	0.5
225.12843	0.6
225.16457	1.0
227.12746	100.0
228.13162	0.9
229.14264	0.8
230.24722	1.1
235.14659	0.6
243.17433	1.6
245.13843	3.6
249.14827	0.7
253.15843	1.9
261.18460	0.6
267.15845	10.4
271.16901	34.4
273.18506	0.8
274.27368	1.2
283.15344	0.7
285.16913	16.5
286.17102	0.6
289.17935	9.8
311.19992	0.9
327.19461	0.9
345.20551	8.0
363.21631	10.4
419.24225	4.2
437.19318	0.8
437.25262	15.0
455.26318	28.1
456.26572	0.7
537.32074	8.9
555.33075	21.7
558.34344	0.6
573.34167	27.3
574.34363	0.6
683.40967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88912	1.3
55.01863	26.1
55.05505	50.4
57.03159	1.8
57.03429	29.8
57.07070	7.0
59.04991	5.4
61.02901	4.5
62.93777	0.9
62.94166	1.1
64.57601	1.0
65.03917	3.7
67.05495	87.3
69.03418	28.8
69.07056	18.6
69.19468	0.9
69.56085	0.8
70.04167	1.4
70.06598	0.9
71.01347	6.3
71.04675	1.1
71.04984	13.9
71.79975	1.5
72.05735	1.6
73.02905	10.8
78.04673	1.2
79.05479	64.1
80.05797	1.0
80.06253	2.7
81.03406	100.0
81.07042	55.6
81.07431	0.7
81.07541	1.0
82.03726	1.9
82.04184	5.6
82.07381	1.2
83.01318	3.0
83.04970	33.4
83.08607	30.3
84.02107	2.2
84.05750	3.3
84.08891	1.0
85.02895	18.8
85.06538	7.0
87.04443	2.9
91.03915	1.5
91.05467	42.2
93.07030	44.0
94.04169	2.8
94.07810	2.8
95.04956	45.9
95.08009	1.7
95.08588	23.5
96.05774	1.3
97.02885	25.9
97.03508	1.0
97.06524	18.2
97.10155	41.5
98.03661	10.7
98.07312	8.7
99.04446	9.2
99.08059	3.2
101.06020	2.3
103.03909	1.6
103.05456	1.8
105.06337	2.1
105.07015	29.0
105.07722	1.6
107.04938	28.8
107.08578	35.5
108.05756	1.1
109.02853	12.3
109.06498	15.2
109.10139	51.5
110.03619	1.5
110.07274	7.6
111.04424	13.7
111.08075	11.7
113.05965	6.0
115.03967	1.9
115.05428	3.3
115.07436	1.0
116.04709	10.7
117.05452	1.0
117.06990	14.1
119.04930	1.2
119.08562	25.3
119.70425	1.1
121.06496	10.6
121.10133	16.3
123.04430	9.1
123.08048	12.6
123.11675	2.8
125.05967	4.1
125.09608	45.2
127.03889	11.0
127.07526	1.7
127.11136	4.8
128.06168	1.6
129.05466	28.4
129.06940	10.0
130.07794	2.0
130.08636	1.7
131.04918	2.5
131.08554	15.6
133.06458	4.6
133.10115	14.6
135.04361	2.1
135.08028	9.6
135.11667	13.3
136.08788	1.8
136.11862	1.0
137.09584	7.7
139.03883	4.4
139.07541	1.2
139.11177	2.2
141.06953	1.7
142.07726	1.5
143.03381	1.1
143.07028	6.6
143.08508	4.1
143.10683	4.9
145.04926	1.9
145.06438	6.0
145.10097	16.3
147.04361	1.7
147.08031	6.9
147.11653	13.7
147.12711	1.2
149.05946	1.8
149.09576	7.6
151.11151	2.3
153.05446	1.4
153.09068	9.1
153.12717	8.5
155.08482	4.3
155.10632	3.7
157.08575	13.1
157.10094	11.1
158.05702	3.6
159.07980	2.5
159.11699	2.2
161.09601	2.8
163.03825	2.1
163.11165	23.9
164.11897	3.1
165.12720	3.9
167.10603	2.0
169.10046	1.3
171.06561	2.8
171.08031	1.9
171.10133	4.4
171.11572	2.2
173.04434	22.4
173.09598	5.4
173.11726	22.9
173.13158	1.3
174.10214	1.7
175.11168	8.1
177.05437	1.2
177.12833	1.4
181.12236	7.2
183.06544	2.1
183.11591	1.5
184.07324	1.9
185.08066	2.5
185.09645	1.6
185.11694	1.9
189.09389	1.5
189.11188	17.7
189.12796	1.4
191.10645	10.6
192.11473	1.7
193.12207	20.1
195.11629	1.1
199.06029	8.9
199.09593	2.2
199.11481	2.2
199.13264	23.8
200.13965	3.8
201.14806	5.5
203.10512	1.3
205.12302	1.6
209.11688	17.6
210.12454	3.1
211.13220	9.6
215.14287	1.6
217.14262	5.0
219.10077	1.0
219.13901	1.8
223.13194	3.0
224.14046	4.8
225.07585	1.2
225.14722	2.0
227.10451	1.7
227.12704	25.7
229.14331	29.1
231.13863	1.1
235.09508	2.0
235.13275	2.5
241.14323	2.8
242.15067	1.9
243.13832	1.3
245.13902	1.5
255.15880	3.2
265.14267	3.5
267.15891	31.7
273.14804	3.3
283.15399	27.9
283.18549	1.7
284.16058	3.1
285.16812	3.7
298.17728	1.7
301.16452	42.3
302.16776	1.6
315.18036	2.5
326.24625	1.4
337.16507	1.4
339.22919	1.8
349.08963	1.3
349.21692	1.6
353.15958	1.5
353.23340	2.8
367.22583	4.4
371.24179	1.8
373.18317	1.7
383.24057	3.2
385.23669	9.1
403.24619	2.5
407.24850	1.2
408.24673	1.7
409.25906	1.5
411.27200	4.6
421.25772	1.8
425.25427	3.2
427.19653	2.6
429.20590	1.3
437.25348	6.4
438.26102	2.6
439.26270	1.8
441.26248	4.1
443.26096	4.0
445.20493	5.4
455.26306	27.3
456.26572	2.1
459.27408	42.5
460.27390	2.5
469.27783	3.2
475.26498	3.3
477.28430	40.8
477.35294	1.9
478.28516	1.7
491.30466	6.4
493.27966	1.5
509.26782	11.3
510.27637	2.3
524.29370	1.4
527.28607	7.7
542.30713	2.6
608.34662	1.7
637.31830	2.0
655.32684	4.8
665.20477	1.2
671.32446	4.1
672.31915	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.1
56.05028	0.6
56.84705	0.1
57.03436	0.1
58.06618	0.5
59.07387	0.1
60.08155	6.3
66.10748	0.1
66.52222	0.1
67.05495	0.4
69.07061	0.2
69.45369	0.5
69.45795	0.4
71.07365	3.2
77.84844	0.1
78.81686	0.1
79.05484	0.3
81.03403	0.3
81.07060	0.3
83.08591	0.1
86.09692	31.0
87.10018	0.3
91.04901	0.1
91.05468	0.3
93.07040	0.3
95.04901	0.1
95.08606	0.2
96.08914	0.1
98.98450	2.7
104.10725	1.8
105.07027	0.1
107.08567	0.1
109.10146	0.2
119.08553	0.2
121.10120	0.1
124.99986	20.6
126.00314	0.1
129.83134	0.1
131.08537	0.1
136.49419	0.1
143.01016	0.3
147.04404	0.5
148.04732	0.1
166.02618	0.1
184.07315	100.0
185.07651	0.9
267.15781	0.1
337.26956	0.1
450.22314	0.2
529.38251	0.1
612.01837	0.1
704.56329	0.1
712.45386	7.8
713.45831	0.4
762.40424	0.3
763.40747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.3
55.05498	8.4
57.03428	14.0
57.06792	1.6
57.07068	32.2
60.08161	4.1
63.26506	0.8
67.05495	17.9
69.03418	4.2
69.07051	7.7
69.51603	9.5
71.04984	2.0
71.07349	1.8
71.08622	27.7
71.37091	1.0
73.02900	2.5
79.05484	8.7
80.41361	0.7
81.03405	72.4
81.07044	21.1
83.04974	4.6
83.08604	21.9
85.02888	4.4
85.10171	14.7
86.09694	19.8
91.05466	11.4
93.07032	7.0
95.04952	19.9
95.08597	19.4
96.61283	0.8
97.02882	2.7
97.10160	7.1
98.98466	1.9
99.04436	2.7
99.08050	0.9
103.07546	1.6
103.20477	0.8
104.10688	1.9
104.64073	0.8
105.07028	9.4
107.04936	5.6
107.08582	3.7
109.02879	7.1
109.06506	3.0
109.10138	9.2
110.03628	2.5
111.04420	4.7
111.08059	5.2
111.11714	1.3
117.06982	1.1
118.29128	0.8
119.08567	8.2
121.06501	3.0
121.10103	6.1
123.04445	4.3
123.08036	1.4
123.11703	3.7
124.99987	12.8
125.09624	1.3
127.03914	2.9
129.06981	8.8
131.08543	6.8
132.64867	0.8
132.99530	1.4
133.06477	2.7
133.10127	2.9
135.11649	1.2
137.13173	0.9
142.07751	2.3
145.10098	1.7
147.04407	1.5
147.08052	2.5
147.11678	5.8
149.09579	4.3
157.10083	6.7
163.11142	2.0
165.12755	1.8
175.11182	8.6
176.29013	0.9
184.07317	73.1
185.07941	1.0
189.12756	1.1
191.00127	2.5
193.12225	31.3
193.14015	1.8
211.13232	1.2
235.13268	7.0
239.23654	8.4
249.14706	3.9
250.77130	0.9
257.24780	2.9
259.13333	2.5
267.15878	93.0
268.16214	1.7
272.24704	0.8
277.14340	3.9
285.17273	1.3
301.14233	2.5
309.16812	4.2
313.27316	100.0
314.27701	3.0
331.28424	1.5
383.11484	2.8
465.25061	2.1
493.10535	1.5
493.17355	22.8
493.24521	1.5
505.38821	80.8
506.39072	3.1
507.40625	0.9
513.24084	0.8
522.38354	0.9
539.28827	13.9
547.39935	5.9
555.52362	0.9
613.40619	1.3
615.41699	0.9
661.13861	1.1
716.48077	6.3
797.18799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.1
56.05019	0.8
58.06614	0.4
59.07111	0.1
59.07386	0.2
60.08154	6.1
66.83619	0.1
67.05497	0.4
69.07035	0.1
69.82919	0.3
69.83331	0.2
70.06577	0.1
71.04958	0.1
71.07362	3.3
78.73046	0.1
79.05468	0.3
81.03389	0.1
81.07038	0.3
83.04959	0.1
86.09692	32.0
87.09560	0.1
87.10010	0.4
91.05461	0.3
93.07035	0.3
95.04964	0.2
95.08574	0.2
98.98453	2.7
104.10728	3.2
105.06989	0.1
107.04930	0.1
107.08591	0.1
109.10144	0.1
117.07013	0.1
119.08543	0.2
121.10080	0.1
124.99985	20.7
126.00323	0.2
131.08585	0.1
143.01062	0.2
166.02609	0.1
175.25299	0.1
184.07314	100.0
185.07660	1.3
190.68806	0.1
420.15884	0.1
450.22894	0.1
474.17767	0.1
552.33392	0.1
648.35101	0.1
662.36572	2.0
726.43298	0.2
744.44476	1.1
762.45392	5.1
763.45422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
57.02177	0.1
58.06314	0.2
58.06619	0.5
59.07398	0.2
60.08152	6.2
67.05491	0.3
71.07363	3.0
71.78240	0.1
79.05484	0.2
81.03407	0.2
81.07035	0.3
83.04961	0.1
84.08160	0.1
86.09692	28.9
87.10004	0.5
91.05452	0.3
93.07030	0.3
95.04947	0.1
95.08583	0.1
98.98444	2.3
104.10728	2.4
105.07010	0.1
106.18424	0.1
107.08581	0.1
109.10189	0.1
117.07034	0.1
119.08559	0.1
124.83771	0.1
124.99984	18.7
126.00348	0.1
133.10130	0.1
135.11639	0.1
143.00998	0.3
155.08478	0.1
166.02666	0.1
176.86256	0.1
184.07312	100.0
185.07668	1.4
186.07736	0.2
415.47632	0.1
429.99362	0.1
468.23145	0.1
674.36511	1.5
675.36304	0.1
726.42719	0.1
728.44800	2.5
729.44543	0.2
744.44373	0.9
762.41046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90311	0.1
55.05500	0.1
56.05027	0.5
57.03389	0.1
58.06607	0.6
59.07105	0.1
59.07368	0.2
60.08153	6.1
63.07650	0.1
67.05490	0.4
69.07053	0.1
69.67533	0.5
70.06586	0.1
71.07356	2.9
72.07681	0.1
72.08794	0.1
75.99517	0.1
79.05468	0.4
81.03413	0.1
81.07038	0.4
83.04957	0.1
83.08623	0.1
86.09689	28.7
87.10018	0.3
90.63499	0.1
91.05487	0.3
93.07021	0.4
95.04965	0.1
95.08603	0.1
98.98447	2.6
104.10721	2.4
105.07012	0.3
107.08556	0.2
116.99540	0.1
117.06990	0.1
119.08533	0.1
121.10123	0.1
124.99980	17.7
126.00298	0.1
131.08569	0.1
133.10031	0.1
135.11613	0.1
143.01015	0.2
145.10095	0.1
147.11620	0.1
149.75966	0.1
184.07309	100.0
185.07677	1.1
188.91183	0.1
222.08914	0.2
240.09802	0.1
298.60330	0.1
336.11703	0.1
378.30762	0.1
450.62268	0.1
534.32208	0.1
570.99548	0.1
646.36523	0.1
674.25867	0.1
674.36542	1.5
675.35907	0.1
728.32904	0.1
728.44794	2.1
729.44586	0.2
744.44446	1.8
745.43903	0.2
762.41638	0.2
763.41150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01856	0.7
55.05506	1.7
57.03432	1.7
57.56436	0.3
59.04984	1.1
61.02912	4.7
65.03922	0.3
67.05493	3.7
68.58804	0.3
69.03423	3.0
69.07056	1.3
69.99778	1.8
71.01340	0.7
71.04985	2.7
73.02904	3.5
75.30181	0.3
79.05480	3.7
81.03403	6.5
81.07047	3.8
83.04964	1.6
83.08603	1.9
85.02891	5.3
85.06549	0.9
87.04456	1.2
91.03941	2.0
91.05463	4.8
93.07038	3.7
95.04950	3.0
95.08624	1.6
97.02875	4.0
97.06521	1.7
99.04411	0.6
99.08047	0.3
101.02366	1.7
105.07033	2.9
106.11150	0.3
107.04965	1.0
107.08583	2.1
109.02800	0.5
109.06510	0.9
109.08499	0.3
109.10143	0.5
111.04449	0.6
111.08045	0.9
115.03887	0.4
117.07042	0.6
119.08569	3.0
121.10130	3.3
123.04402	0.5
123.08053	0.6
127.03899	1.6
129.05470	0.5
129.06978	1.6
131.04930	0.6
131.08540	2.6
133.02838	0.4
133.06519	0.4
133.10115	2.2
137.05951	0.9
137.09488	0.4
139.03865	0.5
145.04994	0.6
145.10127	0.4
147.08014	0.3
147.11623	2.3
149.09584	3.3
149.10440	0.3
151.03915	0.5
151.07486	0.4
157.10092	1.6
163.11151	0.5
165.12756	0.5
167.07037	0.7
175.11165	2.0
177.05446	0.5
181.04924	0.4
184.07338	1.2
185.04269	0.3
187.07559	0.4
193.12227	3.0
197.15298	0.7
203.05266	0.6
211.13199	0.5
225.14789	1.8
233.11475	0.6
243.08383	3.1
253.14352	0.5
267.15817	2.5
283.06226	0.5
283.15106	8.8
309.17197	0.4
339.17758	2.5
441.21179	0.9
469.20691	1.5
501.23010	35.2
502.23257	1.7
503.27750	0.3
565.20917	0.6
581.32501	0.6
599.34058	1.1
623.82697	0.4
735.23022	0.3
761.39178	100.0
762.39282	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	760.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01851	2.5
55.05255	0.9
55.05505	15.1
57.03430	12.6
57.07057	1.3
58.06579	1.0
60.08152	5.0
61.02902	2.2
65.03919	2.6
67.05495	55.6
68.05818	1.4
68.74944	0.9
69.03405	3.3
69.07057	12.3
70.82703	0.9
70.83056	3.2
71.04971	4.5
71.07348	2.8
71.08595	0.9
79.05479	36.9
80.05776	1.5
81.03404	61.9
81.07045	54.3
82.07371	1.8
83.04960	5.7
83.08608	16.9
85.02885	2.8
85.06513	2.1
86.09692	29.3
86.54705	0.9
91.03919	0.9
91.05467	29.7
92.05805	2.1
93.07028	39.7
94.07365	2.0
95.04955	23.7
95.08590	37.8
96.08899	1.4
97.02866	3.0
97.06516	4.6
97.10152	5.9
98.98412	2.1
99.08065	2.1
104.10699	2.5
105.07017	24.8
106.07338	1.3
107.04937	4.4
107.08575	23.5
108.08888	1.1
109.06486	5.2
109.10131	18.6
111.04425	2.1
111.08067	5.5
115.05401	2.0
117.06999	8.1
118.07362	0.9
119.08560	21.2
121.06493	3.5
121.10121	17.9
122.10460	1.0
123.04375	1.9
123.08049	2.7
123.11691	5.7
124.99984	17.9
125.09613	3.7
129.06999	8.2
131.08537	15.9
132.08904	1.4
133.06442	2.2
133.10117	15.2
134.10484	1.3
135.08008	2.3
135.11656	12.1
137.09592	2.7
137.13235	1.6
139.11211	1.0
142.07744	1.8
143.08521	2.5
145.06422	1.0
145.10117	10.3
147.04376	1.7
147.08028	3.5
147.11658	12.1
149.09579	4.0
149.13211	4.8
150.13509	0.9
151.11108	1.6
157.10114	8.2
159.11679	5.7
161.13274	4.5
163.11113	2.9
163.14799	3.1
165.12711	2.6
169.10065	1.3
171.11607	2.2
173.13182	4.6
175.11159	7.6
175.14796	1.4
177.16376	1.1
179.14252	1.1
183.11684	1.2
184.07318	100.0
185.07623	1.3
185.13269	1.2
187.14722	2.1
189.11183	2.3
189.16252	1.2
193.12201	16.2
195.13797	1.1
197.13251	1.4
199.14766	1.1
201.16370	1.3
211.13196	2.3
227.12735	6.6
229.14133	1.3
231.13911	1.0
233.15343	0.9
235.13168	1.0
243.21031	2.5
249.14726	2.4
256.23883	1.0
259.20569	2.3
260.20929	1.4
261.22134	11.3
267.15875	70.4
268.16141	1.1
269.17355	2.8
270.17764	1.5
273.14880	0.9
283.15427	0.9
285.16833	3.0
285.21863	1.0
299.23535	1.1
301.25104	4.3
309.16934	1.6
317.24747	2.6
319.15100	1.0
333.24158	3.0
334.24509	1.3
335.25748	58.5
336.26102	2.7
358.98843	0.9
404.55402	1.0
421.25861	2.9
435.27234	1.8
435.32629	3.8
449.28979	1.1
453.33475	6.5
463.30057	1.0
464.30850	1.0
471.34738	4.9
475.30676	1.2
500.22244	1.0
509.36218	1.6
527.37274	44.2
528.37524	2.1
529.38007	1.7
531.36646	1.4
545.38257	47.6
546.38470	2.4
563.39124	6.4
569.38489	2.1
635.39624	1.0
710.43982	6.8
745.39697	1.0
761.40887	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	760.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01855	0.6
55.05505	4.5
56.05002	0.4
57.03429	4.4
57.07055	0.7
58.06584	0.6
59.04972	0.3
59.24538	0.3
60.08156	6.4
61.02895	1.0
61.03189	0.2
64.54064	0.3
65.03908	0.7
66.12022	0.3
67.05495	14.2
69.03392	1.2
69.07058	3.6
70.13874	0.9
70.14283	0.6
71.01324	0.3
71.04963	1.0
71.07032	0.3
71.07366	2.6
79.05039	0.5
79.05483	10.9
81.03406	16.5
81.07044	15.2
82.07365	0.4
83.04967	1.9
83.08614	4.7
85.02869	1.1
85.06542	0.4
86.09694	29.9
87.09999	0.4
91.03909	0.5
91.04942	0.5
91.05471	9.0
92.05767	0.5
93.07030	11.5
94.07339	0.3
95.04406	0.5
95.04956	6.6
95.08595	10.0
97.02844	1.3
97.06499	1.5
97.10159	1.8
98.98448	2.8
103.05383	0.3
104.10730	1.8
105.06352	0.5
105.07016	7.0
107.04932	1.7
107.08579	6.1
109.06486	1.2
109.10139	4.7
111.08055	1.8
115.05414	0.5
117.06982	2.1
119.08562	6.3
121.06485	0.9
121.10131	5.2
123.08025	0.9
123.11684	1.4
124.99984	18.3
125.09591	1.1
129.06992	2.5
131.08543	4.8
132.08824	0.3
133.06459	0.8
133.10117	3.6
135.08037	0.5
135.11678	3.4
137.09586	0.7
137.13182	0.4
139.11169	0.4
142.07718	0.6
143.08508	0.4
145.10112	3.0
147.07985	0.8
147.11668	3.5
149.09578	1.8
149.13252	2.0
151.11133	0.5
155.08510	0.4
157.10107	2.8
159.11673	1.8
161.13203	1.5
163.11174	0.7
163.14818	0.7
165.12706	0.8
169.10106	0.3
171.11661	0.9
173.11891	0.4
173.13258	1.2
175.11174	2.2
175.14798	0.7
177.16388	0.4
184.07320	100.0
185.07709	0.7
185.13217	0.7
187.14767	0.6
189.11142	0.4
189.12730	0.4
193.12225	3.5
211.13280	0.6
213.16486	0.3
227.12775	1.8
229.14307	0.3
243.21083	1.1
259.20676	0.7
261.22128	3.5
266.40103	0.3
267.15878	17.1
285.17059	1.5
299.23706	0.4
301.25195	1.0
309.16907	0.5
317.24588	0.7
333.24213	0.4
335.25769	18.1
336.26126	0.5
363.55792	0.3
399.39389	0.3
435.27274	0.6
435.32465	0.8
453.33505	1.8
465.21143	0.7
466.21289	0.7
471.34686	1.2
509.35971	0.6
518.31830	0.3
527.37262	11.6
528.37671	0.5
531.36688	0.6
536.29065	0.5
545.38354	13.0
546.38403	0.5
563.39240	1.3
569.38275	0.6
608.67371	0.4
710.43750	6.7
760.43042	10.1
761.41699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01857	0.4
55.05501	2.2
56.05021	0.7
57.03433	1.8
57.07060	0.2
58.06347	0.2
58.06601	0.4
60.08156	6.1
61.02917	0.3
62.68798	0.2
65.03931	0.4
67.05495	6.9
68.05806	0.2
69.03426	0.2
69.07058	1.9
69.63075	0.2
69.83481	0.3
69.83896	1.1
71.04993	0.5
71.07359	2.7
79.05482	4.8
81.03407	8.6
81.07044	5.5
81.07526	0.2
83.04976	0.8
83.08606	2.1
85.02907	0.2
85.06545	0.3
85.68621	0.2
86.09694	29.7
87.10023	0.4
91.05464	3.5
93.07034	4.9
95.04958	2.8
95.08594	4.6
95.60387	0.2
97.02912	0.3
97.06519	0.6
97.10162	0.6
98.98457	2.8
104.10725	2.2
105.07025	2.4
107.04934	0.8
107.08576	2.8
109.06478	0.5
109.10126	2.0
111.04442	0.2
111.08054	0.6
117.06985	0.6
119.08566	2.6
121.06480	0.3
121.10128	2.5
123.08004	0.2
123.11664	0.7
124.99986	20.7
125.09611	0.5
129.06964	1.2
131.08554	2.2
133.06467	0.4
133.10100	1.6
135.08046	0.2
135.11670	1.4
137.09587	0.3
137.13220	0.4
139.11147	0.2
142.07802	0.2
143.01009	0.4
143.08562	0.5
145.10121	1.2
147.07999	0.3
147.11705	1.3
149.09586	0.9
149.13263	0.9
151.11220	0.2
155.08507	0.2
157.03606	0.2
157.10124	1.2
159.11664	0.8
161.13252	0.3
163.14775	0.5
165.12807	0.3
171.03395	0.2
173.13251	0.6
175.11142	0.8
175.14775	0.3
184.07318	100.0
185.07692	1.0
187.14781	0.3
189.11258	0.3
189.16280	0.3
193.12202	2.0
211.13124	0.3
227.12752	0.7
243.21080	0.7
261.22076	2.0
267.15887	8.4
270.28348	0.2
271.40417	0.2
275.80783	0.2
301.25238	0.6
317.24734	0.4
335.25766	8.0
336.25961	0.3
395.88779	0.2
435.32602	0.4
450.22064	0.3
453.33621	0.6
471.34772	0.2
527.29816	0.4
527.37238	5.8
528.37366	0.5
545.38239	5.2
546.38562	0.3
563.38965	0.5
569.37921	0.5
710.43787	7.2
711.43646	0.7
718.94757	0.2
761.41180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.40046	0.4
55.01867	5.2
55.05244	0.6
55.05502	10.7
56.05013	0.8
57.03429	8.6
57.07061	1.4
58.06595	0.7
59.04983	0.6
60.08158	5.8
61.02910	2.0
65.03928	2.1
67.05495	42.7
68.05835	0.5
69.03425	4.1
69.07058	23.9
71.01333	2.0
71.04980	3.6
71.07343	2.5
71.80400	0.9
73.02892	1.1
73.06561	0.6
79.05482	30.5
81.03404	7.2
81.07043	27.5
83.04968	6.5
83.08612	5.8
85.02882	3.2
85.06524	1.9
86.09693	30.1
87.10043	0.6
91.03941	0.6
91.05467	24.4
92.05785	0.6
93.07029	36.1
95.01282	0.5
95.04958	7.9
95.08593	19.2
97.02894	2.5
97.06519	14.0
97.10161	7.8
98.98470	2.6
99.08071	1.5
103.05436	0.7
104.10738	2.3
105.07014	15.3
107.04949	5.4
107.08578	21.6
109.02856	0.8
109.06507	3.5
109.10143	13.9
111.04439	0.6
111.08073	3.2
115.05469	0.7
117.06995	7.1
119.08560	13.4
121.06519	3.0
121.10127	6.5
123.04366	0.5
123.08043	2.1
123.11685	1.0
124.99988	19.3
125.06014	0.5
125.09589	2.7
127.03893	0.8
128.06094	0.5
129.05455	0.8
129.06989	1.9
130.07771	0.6
131.08554	8.5
133.06470	0.9
133.10115	8.8
135.08023	2.3
135.11674	27.6
137.09598	7.5
141.07018	1.2
143.08516	1.8
145.06447	0.5
145.10101	10.7
147.07991	0.7
147.11678	5.3
149.09616	9.2
149.13231	1.5
151.11131	1.7
153.09103	0.5
155.08524	1.0
157.10094	2.0
159.11690	5.1
161.09605	1.4
161.13213	3.0
163.11163	7.2
165.09015	0.9
169.10130	1.0
171.10298	0.6
171.11653	1.7
173.09555	0.8
173.11702	4.4
173.13217	2.9
175.11212	1.3
177.12718	1.6
179.14284	1.9
181.12233	6.5
183.11713	1.2
184.07318	100.0
185.07642	2.5
187.11168	0.8
187.14844	1.2
189.11241	1.1
189.12772	0.8
191.14273	0.6
197.13269	1.2
199.13226	1.3
201.12767	0.5
211.13176	0.6
211.14931	0.7
213.16400	0.7
223.13274	0.6
227.12790	1.4
229.14307	3.3
229.19611	0.7
238.03329	0.5
239.17915	1.3
244.21913	0.5
247.20531	1.4
255.15883	29.6
257.18951	3.2
259.20413	0.7
265.31567	0.5
269.17569	1.2
273.18494	1.6
275.20013	13.3
283.15338	0.6
291.19519	3.7
293.21158	1.5
321.24246	0.5
331.22549	0.7
333.23965	0.9
349.23672	13.2
350.23953	0.7
351.21664	4.3
365.23114	1.5
409.25806	18.4
423.27243	1.0
433.29401	4.8
435.73047	0.5
447.27451	0.6
449.28922	1.7
465.30563	0.6
477.28610	0.8
487.34494	0.7
489.30707	0.5
496.14948	0.5
501.35507	0.6
511.34128	1.2
529.35187	27.3
530.35632	1.0
545.36676	1.9
547.35974	3.6
563.36359	0.7
571.47314	0.6
672.34698	1.7
726.43140	2.1
760.43579	1.9
761.40833	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	759.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
55.01863	5.2
55.05503	44.6
56.05830	1.1
57.03432	14.8
57.07064	21.8
59.04990	2.0
61.02907	1.2
65.03910	2.7
67.05493	63.4
68.05814	2.3
69.03410	3.4
69.07058	63.6
70.02115	5.0
71.04985	5.2
71.08620	13.6
73.02907	1.7
73.06544	2.1
75.04447	2.5
79.05481	36.0
80.05811	2.1
81.03406	4.5
81.07043	75.1
82.07357	1.9
83.04970	8.7
83.08607	48.0
85.02883	2.0
85.06544	4.4
85.10162	7.4
86.09682	3.1
87.04447	1.1
91.05463	17.4
92.05782	1.7
93.07026	45.6
94.07356	2.5
95.04945	4.4
95.08589	63.9
96.08916	2.1
97.02899	1.4
97.06513	19.9
97.10149	30.4
98.10526	1.0
98.21427	1.0
99.04430	1.2
99.08068	3.3
101.05984	4.0
101.09656	1.1
105.06999	9.9
106.07335	1.2
107.04929	2.4
107.08578	33.2
108.08892	2.1
109.06455	1.6
109.10139	36.5
109.10892	1.8
110.10455	0.9
111.08073	13.6
111.11707	6.8
113.06007	2.4
113.09622	1.8
115.07568	2.3
116.04630	1.2
117.06973	2.3
119.08551	9.5
120.08878	1.0
121.10125	40.1
122.10451	1.9
123.08057	1.4
123.11690	17.6
124.99904	1.0
125.09592	13.8
125.13190	2.5
127.11182	1.3
129.05441	3.8
129.09087	2.4
131.07008	2.1
131.08539	4.8
133.10115	10.6
135.10637	1.8
135.11674	34.9
136.12003	1.7
137.09590	1.8
137.13220	3.8
139.11143	9.8
143.06998	1.2
143.08449	1.7
143.10625	2.0
145.10097	4.7
146.10445	1.1
147.04367	4.0
147.11639	4.4
149.13231	20.3
151.11150	2.7
151.14752	1.2
153.12750	8.6
156.31441	0.9
157.08611	0.9
157.10101	1.6
157.12167	1.5
159.11639	2.6
161.13206	1.2
163.11186	2.7
163.14793	6.7
164.11627	1.0
165.12610	1.0
167.14297	4.0
171.13719	1.1
173.13225	2.1
181.12254	0.9
181.15826	1.6
184.07341	8.9
187.14839	1.7
189.11206	1.2
195.13811	1.3
205.19507	16.2
210.12004	0.9
215.17883	3.7
223.20520	10.9
226.22290	1.0
227.12714	3.2
228.13127	1.7
233.18944	2.3
251.20035	6.0
261.22067	1.3
262.22519	1.2
267.15991	1.2
269.21027	4.6
283.15320	1.4
287.22119	100.0
288.22507	1.4
292.83502	1.0
301.16418	6.5
302.16660	4.5
325.23669	99.7
335.25684	5.9
336.26056	7.1
343.24750	68.1
399.27377	43.6
400.27512	1.2
417.28400	26.8
452.37009	0.9
455.29788	1.3
544.36932	1.6
562.37762	4.4
593.43964	11.1
611.45325	4.7
667.47528	15.7
685.48303	5.1
723.49603	1.4
740.70703	1.0
741.51428	9.7
759.52448	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	758.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01860	0.7
55.05503	13.0
57.03425	7.8
57.07062	3.2
59.04991	1.1
61.02918	4.3
65.03929	2.5
67.05493	70.3
67.77562	0.6
69.03410	2.4
69.07057	12.4
69.72540	3.6
69.72949	0.9
71.04981	23.9
73.02883	1.1
78.06093	0.4
79.05482	36.5
81.03398	1.5
81.07043	96.9
82.07369	0.9
83.04964	4.3
83.08602	9.2
85.02872	2.7
85.06535	7.3
86.09723	2.6
91.03955	0.7
91.05464	29.9
93.07030	39.2
95.04962	4.9
95.08590	28.1
97.02885	1.9
97.06503	4.4
97.10146	3.2
99.08078	1.9
105.07012	18.8
107.04962	0.6
107.08575	24.3
109.06524	2.3
109.10136	14.6
111.08062	2.7
117.06997	5.7
119.08569	10.4
121.10127	16.3
123.08017	1.0
123.11689	15.6
124.99999	1.9
125.09603	1.2
129.07007	0.7
131.08548	8.0
133.10112	19.7
135.11678	11.1
137.13222	0.9
139.11217	0.8
143.08556	1.2
145.10098	5.6
147.11638	3.8
149.13240	7.2
151.11136	7.5
153.12740	1.2
157.10077	1.4
159.11658	7.1
161.13280	3.1
163.14787	1.1
165.12756	1.0
169.10048	0.7
169.12212	1.2
171.11652	1.4
173.13223	3.2
175.14822	1.1
177.12750	1.8
183.13817	3.6
183.81973	0.5
184.07318	10.9
187.13289	5.1
187.14781	1.2
195.13867	1.8
199.14810	0.7
227.16443	2.0
243.15887	0.8
253.17932	1.1
257.17325	2.5
259.20682	1.4
261.18381	0.5
261.22122	2.8
269.17432	6.3
285.17065	0.6
301.20047	24.1
311.23724	0.8
335.25769	26.3
336.26172	0.8
393.31702	0.8
411.32288	1.2
429.33578	0.7
437.33755	1.2
445.24146	0.7
465.35699	1.0
485.36346	3.9
503.37247	100.0
504.37668	3.6
511.37582	1.6
517.38782	4.2
529.38812	19.3
530.38733	0.9
547.39783	1.6
561.41431	98.4
562.41931	3.4
745.01855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01868	6.2
55.05232	1.3
55.05501	24.0
57.03162	1.2
57.03432	18.4
57.07061	3.1
58.06588	0.9
58.37341	0.8
60.08145	1.9
61.02918	3.7
65.03928	3.7
67.05495	84.8
69.03420	7.2
69.06683	1.8
69.07058	35.3
70.15899	5.2
71.01324	1.1
71.04985	7.8
71.08634	1.4
73.02924	0.8
77.03974	0.8
79.05481	58.8
80.05817	1.7
81.03407	24.5
81.07045	100.0
83.04968	14.6
83.05415	1.4
83.08609	23.8
84.08945	1.0
85.02901	9.6
85.06518	6.4
86.09690	13.1
88.06252	0.9
91.05462	50.8
93.07031	85.9
94.07365	1.8
95.04951	18.5
95.05511	1.7
95.08592	37.6
97.02878	5.3
97.06512	18.6
97.07098	1.6
97.10152	4.8
98.98444	1.3
99.04441	2.9
99.08078	3.8
103.03894	1.1
105.04530	1.2
105.07017	43.1
107.04925	9.0
107.08580	45.7
108.51598	0.9
109.02877	2.4
109.06513	7.6
109.10146	11.7
111.04447	1.9
111.08081	10.2
113.06044	1.1
113.09647	2.1
115.05437	1.7
117.07002	19.2
119.08559	27.2
121.06488	5.4
121.10126	29.5
123.04424	1.3
123.08054	3.8
123.11702	4.9
124.99979	9.7
125.05982	1.2
125.09627	4.4
127.03897	2.9
127.07568	1.5
128.06259	1.2
129.05492	2.0
129.06989	7.6
131.08546	24.9
133.10110	30.3
135.08034	5.3
135.11676	19.1
136.12019	1.2
137.09598	2.4
139.11153	1.6
141.06940	1.9
142.07773	1.2
143.08556	4.0
145.10091	16.1
147.08017	2.3
147.11659	17.3
148.11935	1.2
149.09592	11.0
149.13237	31.0
151.11163	3.3
155.08537	1.9
157.10098	7.7
159.11667	23.9
161.12077	1.0
161.13203	5.7
163.11177	7.5
163.14796	1.3
165.12770	2.1
169.10074	2.0
171.11703	4.4
173.04454	1.2
173.13231	6.6
175.11156	5.8
175.14717	2.0
177.12717	8.1
179.14265	2.2
181.12268	1.0
183.11696	2.5
184.07317	43.5
185.13243	3.4
187.11241	1.0
187.14870	2.0
189.11223	1.9
193.12213	10.2
195.13776	11.9
197.13258	1.7
198.33278	1.0
199.14896	1.1
199.16812	1.0
211.13248	17.4
211.15126	1.2
213.14967	2.9
227.12790	5.9
228.13153	1.5
235.17058	1.1
239.17918	2.2
241.19553	4.3
247.20461	1.6
249.40927	0.9
253.14345	1.6
255.15811	4.8
257.19055	5.2
259.20514	15.8
260.21008	1.7
267.15915	5.4
269.17438	88.8
271.15463	1.2
275.20023	19.5
276.20477	1.7
283.15366	2.7
285.16916	18.5
286.17365	1.0
291.19565	1.3
293.20969	1.2
298.23456	1.0
315.23199	1.4
331.22571	2.0
333.24240	15.3
334.24335	1.4
335.24927	1.0
339.17798	1.9
349.23715	20.2
351.25146	1.4
365.23236	1.2
367.24811	2.1
413.21649	1.2
423.27243	1.9
433.30621	1.2
439.26892	3.6
445.29340	1.7
449.29010	22.8
451.32144	2.0
463.30505	92.7
464.30798	2.0
469.33273	1.4
479.30170	1.2
485.32248	1.4
503.33633	3.3
515.37299	1.2
517.35162	2.2
525.35754	6.2
543.36774	56.8
544.37201	1.9
561.37854	13.6
607.34955	3.1
687.40729	1.4
740.44580	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	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
54.09393	0.9
55.01871	10.8
55.05244	1.8
55.05504	29.6
57.03168	1.8
57.03429	24.0
57.07072	6.0
61.02916	6.7
65.03926	4.0
67.05495	74.0
67.55697	1.1
69.03421	5.5
69.07059	18.9
69.52127	8.3
69.52538	1.3
70.04206	1.4
71.01370	1.2
71.04979	4.1
73.02906	7.6
79.05483	54.3
80.06264	1.8
81.03406	13.6
81.07045	66.1
82.04203	4.3
83.04971	12.2
83.08598	13.2
85.02898	7.2
85.06523	4.2
91.03954	2.8
91.05469	38.7
93.07032	60.5
94.07330	1.3
94.07864	1.4
95.04961	18.7
95.08594	48.7
96.05742	0.9
97.02886	4.3
97.06522	9.0
97.10155	13.9
98.07297	6.0
99.04454	1.4
99.08106	3.1
103.05450	1.0
105.04477	1.0
105.07014	27.3
106.07799	1.5
107.04958	4.5
107.08582	32.7
109.06513	6.2
109.10142	25.1
111.04447	2.9
111.08051	5.4
113.05962	1.5
116.04703	11.3
117.07000	9.0
119.08563	21.0
121.06519	2.0
121.10124	24.0
123.08025	7.1
123.11682	5.2
125.09629	13.6
129.05466	35.1
129.07001	4.0
131.08559	17.3
133.10114	16.7
135.08029	2.6
135.11674	18.3
137.09605	4.0
137.13225	2.0
143.07025	6.8
143.08540	2.7
145.10115	10.8
147.07991	2.3
147.11664	12.2
149.09627	2.8
149.13232	9.1
151.11220	1.8
153.09128	1.3
157.08614	13.2
157.10127	6.0
159.11703	6.8
161.13243	7.4
163.11183	4.1
163.14806	4.5
165.12727	2.9
171.10167	4.8
171.11601	2.3
173.09613	1.2
173.11731	2.6
173.13263	7.0
175.11169	5.9
175.14859	2.6
177.16319	1.3
181.12216	1.2
184.07376	1.3
185.07967	1.2
185.11784	1.0
185.13245	2.3
187.14827	2.9
189.11166	6.1
189.12666	1.0
189.16403	1.1
191.10600	1.5
193.12209	9.3
195.13684	1.0
199.13245	4.3
199.14902	1.1
200.14076	2.5
201.16449	1.2
209.11708	2.9
211.13281	6.1
219.14021	1.0
227.12753	11.0
229.14319	2.4
243.21068	4.5
255.15923	2.0
257.90295	1.0
259.20496	2.4
261.22076	16.4
267.15863	5.4
267.84656	0.9
269.17355	1.2
275.20068	1.5
277.21573	4.7
277.41690	1.0
283.15302	5.2
285.16943	2.4
301.16418	71.1
302.16696	1.5
315.23196	2.6
317.24634	2.2
333.24234	1.4
335.25754	97.7
336.26080	3.3
351.25302	1.6
352.12048	1.0
389.27109	2.0
435.26935	1.2
477.35013	1.3
525.36139	1.7
527.37372	6.5
543.36835	5.4
544.37451	1.8
561.37799	100.0
562.38226	5.0
735.45490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01863	8.5
55.05231	1.3
55.05502	24.2
57.03428	19.1
57.07058	3.2
57.23303	0.8
60.02131	1.0
61.02919	6.2
65.03921	1.2
67.05497	50.3
69.03423	4.4
69.07056	12.6
70.03605	4.8
70.04190	0.8
71.04971	3.6
71.08624	0.7
73.02906	5.8
77.03860	0.7
79.05482	35.8
81.03407	13.7
81.07043	48.6
82.04195	4.0
82.07355	0.9
82.07820	0.8
83.04962	9.6
83.08601	11.8
85.02898	6.8
85.06517	2.7
86.09702	1.6
91.03928	1.6
91.05463	25.4
92.06249	0.8
93.07030	35.4
93.63163	0.9
95.04954	14.2
95.08592	30.3
97.02872	4.1
97.06512	7.2
97.10147	12.2
98.07302	5.4
98.20790	0.9
99.04443	0.8
99.08104	1.3
101.06008	1.1
105.07014	18.0
105.70514	0.8
107.04938	3.0
107.08577	25.1
109.02821	0.9
109.06501	3.4
109.10143	16.1
111.04423	1.6
111.08075	4.9
116.04692	10.9
117.06990	6.7
119.08565	16.4
121.06519	1.6
121.10124	17.5
123.08061	4.6
123.11709	3.7
125.09615	13.2
127.11190	0.8
129.05466	29.7
129.06902	4.5
131.08549	10.8
133.10110	12.1
135.08018	2.2
135.11644	10.8
135.12500	1.0
137.09613	2.7
137.13200	1.3
139.11095	1.2
143.07031	7.4
143.10606	0.9
145.10110	9.5
146.41628	0.9
147.08029	1.5
147.11655	8.7
149.09589	3.1
149.13210	6.0
151.11168	1.6
153.09082	2.1
157.08589	14.6
157.10091	5.9
159.11702	4.4
159.12784	0.8
161.13271	4.0
163.11154	3.2
163.14813	2.1
164.11867	0.9
165.12732	1.4
169.10068	1.0
171.06485	0.8
171.10139	5.6
171.11522	1.6
173.09590	1.0
173.11784	1.7
173.13284	3.9
175.11163	3.1
175.14845	1.5
179.14195	1.2
181.12177	1.1
184.07294	3.8
185.11768	1.4
185.13260	1.3
187.14804	2.2
189.11192	8.2
193.12204	9.1
199.13251	2.8
199.14868	1.0
200.14067	2.7
201.16371	1.2
203.46906	0.8
209.11650	1.2
210.12480	1.1
211.13251	5.2
217.14270	1.4
227.12709	9.9
229.14325	1.9
239.16597	0.9
241.19383	1.2
243.21040	2.3
255.15872	0.9
259.20642	1.2
261.22110	8.5
267.15942	5.8
268.16199	1.1
277.21579	2.9
283.15320	2.8
285.16928	2.8
301.16409	100.0
302.16806	1.9
317.24860	1.3
333.24234	1.1
335.25757	59.3
336.25998	2.7
351.25363	1.0
476.88760	1.0
527.37476	5.6
529.37848	0.9
543.36676	2.0
545.38391	2.2
561.37793	44.3
562.38135	3.2
579.38629	1.4
725.83087	1.0
744.94745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.9
53.04157	1.1
55.01867	4.7
55.05505	24.6
57.03428	16.4
57.07065	2.9
60.08148	2.0
61.02916	3.7
62.52089	1.1
65.03925	2.9
67.05493	56.1
69.03417	6.6
69.06708	1.1
69.07058	19.7
70.30521	5.5
71.04991	7.3
71.07335	2.9
79.05483	66.3
81.03406	57.5
81.07046	66.9
83.04517	1.5
83.04971	18.4
83.08610	24.5
85.02893	22.7
85.06528	5.3
86.09695	16.7
86.26394	1.1
91.05467	84.5
93.07030	58.0
95.04956	29.9
95.08591	33.1
97.02869	5.0
97.06516	7.8
97.10166	8.3
98.98502	2.0
99.08075	3.4
103.05482	1.8
104.10767	1.3
105.07016	72.0
107.04929	8.6
107.08585	35.9
109.06486	7.3
109.10139	13.8
111.04420	3.8
111.08068	11.7
113.05999	2.2
115.05443	2.2
117.06997	19.3
119.08562	62.3
121.06483	3.5
121.10129	29.0
123.08047	4.9
123.11686	4.7
124.16984	1.1
124.99976	10.9
125.09620	4.4
128.06200	4.1
129.05467	1.8
129.06990	20.7
130.07825	1.4
130.56656	1.5
131.08549	36.5
133.06467	3.4
133.10114	47.3
135.08095	2.3
135.11668	18.2
137.09602	3.1
138.67104	1.3
142.07758	4.0
143.08543	8.8
145.10089	21.9
147.08058	1.9
147.11659	45.7
149.09645	8.7
149.13229	11.6
151.11128	3.4
155.08536	2.1
157.10104	25.0
159.11671	20.1
161.09576	1.6
161.13240	24.0
163.11157	4.4
163.14751	2.4
165.12733	3.5
169.10109	3.6
171.11662	11.4
173.09595	1.5
173.13251	11.3
175.11165	15.3
175.14807	9.2
177.12709	2.2
181.10042	1.4
181.12259	1.9
183.11703	3.3
184.07310	50.3
184.08932	2.7
185.13298	10.7
187.14729	2.4
189.11168	2.0
189.12695	1.3
189.16379	1.6
193.12216	46.5
195.11597	2.8
197.13182	4.0
199.11304	1.3
199.14804	5.2
201.16525	1.4
203.14240	2.6
203.18227	1.4
209.13237	1.5
211.13260	64.0
213.16318	3.2
215.17953	1.8
227.12790	6.2
229.14333	2.6
231.20918	7.0
239.18124	1.5
241.19481	23.9
257.19016	2.4
259.20535	69.8
261.22137	3.2
265.14282	2.2
267.15891	22.1
269.17383	6.9
275.19980	3.6
277.21600	2.0
283.15405	3.9
285.16931	71.5
297.22043	1.5
299.23633	3.3
315.23224	8.3
333.24207	62.0
335.25842	1.8
343.22556	1.8
349.23651	2.6
351.25226	1.5
353.24612	1.4
415.29745	2.9
423.32431	3.2
433.31110	11.1
435.27451	1.6
439.26889	1.5
451.32108	9.3
462.98001	1.3
463.30615	2.4
469.33093	6.2
487.34348	2.1
507.34280	3.1
515.37146	4.0
525.35699	39.0
526.36060	1.6
543.36743	100.0
544.36987	2.6
561.37402	5.2
627.39343	1.6
637.15906	1.3
669.40472	1.8
687.40350	1.6
758.41998	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01870	13.7
55.05237	2.3
55.05506	46.1
57.03430	27.0
57.07056	2.6
59.05004	9.9
60.08156	3.3
61.02929	2.0
61.69653	1.5
65.03936	4.4
66.93301	1.7
67.05499	90.1
68.05829	2.0
69.03424	11.1
69.07063	21.1
71.01345	4.4
71.04996	10.1
71.81282	2.0
73.02928	1.4
79.05022	3.4
79.05488	60.7
80.05836	2.0
81.03411	100.0
81.07049	58.9
81.07535	2.5
82.03762	2.0
82.07384	2.1
83.04970	21.8
83.08611	36.7
83.09080	2.6
83.26219	1.5
85.02902	14.7
85.06532	6.9
86.09691	20.3
87.04454	9.8
91.05470	50.4
92.05795	2.5
93.07034	42.4
94.07361	2.0
95.04959	48.6
95.08596	23.7
97.02902	11.7
97.06522	13.9
97.10156	32.7
98.69455	1.4
99.04456	5.0
99.08123	1.8
101.06058	1.4
103.05483	1.6
104.10791	1.7
105.07021	31.3
106.07339	1.9
107.04951	19.3
107.08591	28.6
109.02847	4.5
109.06509	10.6
109.10147	56.6
110.10529	1.5
111.04437	10.4
111.08076	12.7
113.05990	2.1
115.03910	1.4
115.05455	4.0
117.07001	12.4
119.04956	2.1
119.08575	32.6
120.08934	1.7
121.02909	2.1
121.06499	10.6
121.10130	25.2
122.10490	1.8
123.04424	12.0
123.08050	6.3
123.11697	2.9
125.00015	11.0
125.05988	2.3
125.09624	24.4
125.11055	1.7
127.03928	3.0
128.06244	2.4
129.05493	3.6
129.06998	17.6
131.04916	2.7
131.08556	25.6
133.06474	7.8
133.10115	18.8
135.04425	5.2
135.08043	9.3
135.11693	13.6
137.05980	5.6
137.09616	6.6
139.03912	4.8
139.11166	4.8
141.06987	3.2
142.07784	4.3
143.08572	5.2
145.06494	4.8
145.10104	12.5
147.04430	5.1
147.08008	7.3
147.11679	19.4
149.05994	3.1
149.09604	17.8
151.11217	2.2
153.09088	8.3
153.12753	10.6
155.08586	2.1
155.10640	1.7
157.06540	1.7
157.10115	16.9
159.08018	2.8
159.11745	2.3
161.06010	3.8
161.09602	4.6
161.13261	1.6
163.03951	2.6
163.07607	1.5
163.11180	16.1
165.12784	4.1
167.06924	1.8
169.10133	3.2
171.10196	2.9
171.11642	2.6
173.05911	2.2
173.09639	5.4
173.11717	15.6
173.13077	2.8
175.11174	16.9
177.05417	2.4
177.12712	2.4
181.04953	1.7
181.06462	1.3
181.12251	8.1
183.11610	1.8
184.07329	70.6
185.09581	2.3
185.13257	3.9
187.11243	4.9
189.05463	1.5
189.09370	2.8
189.11220	12.3
189.12688	2.8
190.11443	1.5
191.10651	7.0
193.12228	45.0
196.09595	1.3
199.11197	1.2
199.13298	3.5
201.12811	2.0
202.82042	1.5
203.12712	2.9
203.14345	2.1
205.12268	2.8
207.13820	3.6
209.11665	13.7
211.11290	3.6
211.13268	41.3
211.39160	1.5
213.12766	1.5
217.12187	3.5
217.14220	1.9
219.13704	2.3
221.15486	2.7
227.12752	20.4
229.12213	3.6
229.14314	41.6
231.13834	5.1
235.13301	8.0
241.14371	3.5
243.13722	1.9
247.13322	4.9
249.14859	12.3
253.14319	4.2
259.13144	3.1
259.15567	2.5
267.15891	70.5
268.16318	3.3
273.14935	3.4
275.12833	2.8
283.15369	14.7
285.17032	4.5
289.14392	1.6
293.13959	2.8
301.16620	9.2
309.17130	4.3
315.18170	1.9
319.17578	2.2
337.21649	4.7
347.20337	2.0
355.22458	10.1
365.21085	11.2
373.23639	11.9
383.22055	22.4
391.25064	2.4
401.23206	33.2
403.24820	2.0
409.25616	2.1
419.24252	12.4
421.25748	30.3
439.26611	4.1
447.27505	4.6
457.25928	4.6
459.27353	4.5
460.27750	5.5
461.27863	3.1
465.28674	1.7
475.26852	21.9
477.28336	1.8
479.29135	2.0
493.27856	35.9
511.28821	13.6
525.30579	4.1
535.29095	1.8
604.32086	5.0
619.31067	3.1
637.32098	2.5
708.37170	7.1
758.35699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05022	0.6
57.07060	0.4
58.06354	0.2
58.06604	0.4
60.08156	5.5
67.05482	0.5
69.07045	0.4
71.06632	0.3
71.06992	0.3
71.07361	3.0
71.08586	0.2
73.06547	0.2
79.05473	0.4
81.07022	0.5
82.67487	0.2
85.49406	0.2
85.74799	0.2
86.09693	29.4
87.10030	0.4
89.06012	0.8
91.05463	0.3
95.04930	0.2
95.08584	0.5
98.98454	2.8
104.10720	1.8
105.07040	0.3
119.08551	0.2
119.40685	0.2
124.99983	19.5
133.08575	0.3
135.08000	0.2
143.01031	0.4
184.07314	100.0
185.07722	1.0
235.00246	0.2
260.48492	0.2
353.97675	0.2
471.95859	0.2
496.33829	0.4
554.51929	0.2
584.43176	0.4
585.44397	0.6
756.55310	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	756.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01866	12.8
55.05503	16.8
57.03431	9.1
57.07050	0.9
59.04962	0.7
60.22397	0.6
60.43954	0.6
61.02906	0.9
63.97401	0.7
65.03922	2.3
66.62313	0.8
66.66037	0.7
67.05495	31.2
69.03403	3.1
69.07056	23.8
69.07436	1.2
69.93375	3.7
69.93784	1.6
71.01332	0.7
71.04990	4.1
71.08640	0.7
74.27192	0.7
75.68910	0.7
79.05481	30.9
79.05944	1.8
80.00764	0.8
80.05833	0.7
81.03406	35.5
81.07045	48.2
83.04964	10.2
83.08614	16.5
85.02891	15.1
85.06515	2.2
89.71710	0.7
91.05466	49.7
93.07029	29.0
95.01317	5.0
95.04953	18.9
95.08593	23.7
96.47554	0.8
97.02874	3.2
97.06518	20.6
97.10144	3.3
99.08046	1.6
101.48022	0.7
103.05428	1.4
105.07014	67.5
106.07347	1.0
107.04940	15.6
107.08575	14.4
109.06504	4.8
109.07126	0.7
109.10126	5.3
111.04443	1.4
111.08079	7.5
113.06019	1.2
113.09578	0.8
115.05402	1.6
117.07019	10.3
119.04951	1.0
119.08566	37.5
121.06479	2.4
121.10132	10.5
123.04415	1.5
123.08059	4.5
123.11697	2.2
123.59689	0.8
125.09631	2.2
127.07475	0.7
128.06242	1.3
129.06979	7.8
131.08551	20.9
132.08916	0.8
133.06458	2.3
133.10115	36.8
134.10432	0.9
135.08047	2.3
135.11691	4.2
137.09622	2.4
139.07585	1.3
141.06973	1.7
142.07767	1.3
143.08549	2.7
145.06505	1.9
145.10130	10.8
146.10487	1.1
147.08028	3.3
147.11667	20.3
149.09598	8.3
149.13264	2.4
151.11191	1.8
155.08600	1.2
157.10118	11.1
159.08128	1.0
159.11676	8.8
161.09561	1.0
161.13287	3.0
163.11143	3.7
165.12744	2.8
169.10146	1.7
171.11626	2.0
173.13257	2.3
175.11147	8.5
177.12761	3.5
179.14319	8.9
183.11699	2.5
184.07289	1.1
185.13260	1.2
187.11185	2.7
193.12215	19.5
197.13293	1.7
205.12314	0.8
207.14006	0.8
211.13258	23.5
211.15192	1.5
213.16525	0.9
227.12845	0.8
229.19495	0.7
239.17949	1.3
247.20604	1.3
257.19025	2.9
267.15875	29.0
275.20023	62.1
276.20465	1.8
279.15906	1.9
285.16934	62.9
286.17261	1.6
293.21039	2.9
333.24374	1.2
349.23691	35.8
350.24023	1.5
461.29025	1.4
541.35199	63.7
542.35480	4.0
559.36243	100.0
560.36542	4.8
577.37195	2.8
578.97693	0.8
595.73419	0.8
703.40375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01865	8.8
55.05235	0.7
55.05506	11.8
57.03429	5.9
63.39532	0.5
65.03934	0.8
67.05497	25.0
69.03414	1.4
69.06683	1.1
69.07059	20.8
69.79047	3.0
69.79468	1.2
71.04985	2.6
73.02927	0.6
77.03939	0.8
79.05019	1.3
79.05481	24.1
81.03404	22.6
81.03881	1.2
81.07045	38.7
83.04971	7.5
83.08610	9.9
85.02895	6.9
85.06538	2.1
86.09700	0.8
91.05467	39.2
93.07032	23.4
95.01318	5.9
95.04953	12.0
95.08595	19.9
97.02870	1.5
97.06519	15.8
97.10160	2.1
99.08098	1.6
103.05471	1.1
105.07014	54.9
107.04939	11.4
107.08578	12.1
109.06515	3.4
109.10156	5.4
111.04431	1.0
111.08054	5.3
113.05995	0.7
115.05457	1.1
117.06999	10.5
119.04909	0.6
119.08566	30.8
121.06521	1.9
121.10125	7.9
123.04421	1.4
123.08070	4.1
123.11688	1.9
124.99978	0.6
125.09632	1.5
128.06183	0.6
129.06981	5.0
131.08543	15.9
133.06458	1.8
133.10114	29.5
135.08067	1.7
135.11691	4.6
137.09604	2.0
139.07542	1.1
141.06953	1.0
142.07777	1.0
143.08545	2.1
145.06485	1.9
145.10115	10.7
147.08084	1.8
147.11659	14.1
149.09598	7.0
149.13304	2.0
151.11188	0.9
155.08562	1.6
157.10098	7.6
159.11684	7.5
161.13275	3.9
163.11130	2.9
163.14653	0.5
165.09077	1.2
165.12769	1.9
169.10083	1.3
171.11632	1.3
173.13281	1.8
175.11151	4.9
176.11443	0.6
177.12750	2.4
178.68802	0.5
179.14278	8.3
179.15744	0.8
183.11725	1.5
184.07346	2.3
187.11198	2.2
187.14833	0.7
189.12787	0.7
193.12231	11.1
197.13182	1.2
211.13255	9.6
211.15088	0.8
215.17976	0.7
219.17447	3.9
233.19067	0.6
239.17918	1.1
247.20638	0.8
257.18857	3.3
267.15878	15.2
275.20016	54.9
276.20477	1.1
279.15994	1.9
285.16922	21.9
293.21106	3.1
317.07001	0.7
331.22458	0.7
349.23694	28.9
350.24051	0.6
429.21164	0.6
461.28912	1.4
523.33661	0.7
541.35199	45.1
542.35431	1.8
559.36230	100.0
560.36670	3.5
577.36719	1.3
703.40350	1.0
708.96552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	3.1
53.03925	2.6
54.84451	0.8
55.01845	3.0
55.05503	16.6
57.03170	0.9
57.03429	14.0
57.07053	2.1
59.04996	3.6
60.08148	1.6
60.09827	0.7
61.02916	4.4
65.03928	1.9
67.05495	52.4
69.03426	3.8
69.07057	12.6
69.51472	1.7
69.51868	8.0
71.01319	1.2
71.04968	2.9
71.07346	0.9
71.08638	0.7
73.02902	1.6
79.05480	34.6
81.03404	5.5
81.07045	49.8
82.07343	1.0
83.04965	4.1
83.08608	12.3
85.02443	0.8
85.02889	4.5
85.06529	3.4
86.09702	7.4
91.03944	1.4
91.05468	30.6
92.05769	0.7
93.07033	47.4
94.07349	0.9
95.04960	8.2
95.08591	34.2
95.09206	1.8
97.02905	5.6
97.06527	4.8
97.10139	3.2
99.00803	13.7
99.04461	1.0
99.08070	1.1
101.02280	0.7
103.05448	1.1
103.71260	0.8
105.07012	25.0
106.07325	0.7
107.04950	5.3
107.08579	25.6
109.02859	9.6
109.06495	3.8
109.10136	18.2
111.04404	1.8
111.08054	4.3
113.09556	0.9
113.23740	0.7
115.03907	2.5
117.07012	8.9
119.08567	18.2
121.06471	6.8
121.10125	15.6
123.04419	2.3
123.08036	2.2
123.11682	6.8
124.99985	4.7
125.09549	1.3
127.03915	3.1
128.06210	1.6
129.07001	2.1
131.08551	10.6
133.06453	1.6
133.10110	39.5
135.08049	1.5
135.11667	10.3
137.05910	1.1
137.09601	2.2
137.13211	1.5
139.07520	2.3
143.08508	4.8
145.06445	0.8
145.10117	6.6
147.08003	1.2
147.11665	5.2
149.09595	2.3
149.13235	6.1
151.11172	9.8
157.10127	1.5
159.08101	1.0
159.11670	5.2
161.09599	17.0
161.13257	3.1
163.11168	2.0
163.14735	4.2
165.09143	0.9
171.08043	2.7
171.11771	1.2
173.13226	4.4
175.11328	1.0
175.14803	2.0
177.16353	1.0
179.10686	8.9
184.07323	23.2
187.14824	1.6
189.09088	8.9
197.11694	2.9
207.10083	4.5
211.13205	1.2
225.11206	12.3
227.12561	1.1
233.22426	0.8
243.12282	2.5
243.21086	5.5
261.22101	17.8
277.21689	1.9
279.23120	1.1
281.13922	4.5
283.15317	0.7
299.14850	89.4
300.15161	2.3
315.23126	3.2
317.24792	3.1
319.65567	0.8
325.74658	0.8
333.24326	1.1
335.25760	100.0
336.26013	4.0
421.30933	1.0
436.22061	0.7
439.31689	1.0
449.30322	1.4
467.31534	4.0
479.30054	1.6
485.32504	3.4
513.36115	3.4
518.17499	0.8
523.33832	1.5
531.36615	2.0
541.35114	13.5
542.35156	1.0
559.36249	54.4
560.36267	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	756.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01867	3.6
55.02442	0.5
55.05503	12.7
57.03432	7.9
59.05002	0.8
61.09528	0.5
65.03935	0.8
67.05496	16.0
67.34757	0.5
68.86681	0.5
69.03411	2.6
69.07054	4.6
69.65787	3.9
69.66203	1.4
71.04985	2.9
72.28513	0.5
72.97099	0.6
72.97532	0.5
75.73141	0.7
77.03928	0.5
79.05487	19.1
80.06210	0.5
80.06689	0.5
81.03407	45.0
81.07048	17.2
82.57380	0.6
83.04966	4.0
83.08109	0.9
83.08611	16.2
84.56095	0.5
84.63490	0.5
85.02922	0.9
85.06548	1.9
91.05470	14.0
93.07034	13.5
95.04954	20.1
95.08602	6.6
97.02905	1.5
97.06535	2.2
97.10156	13.3
99.08080	0.6
103.05426	0.7
105.07020	14.0
107.04940	13.5
107.05652	0.6
107.08575	12.2
107.09225	0.7
109.06501	8.6
109.10155	4.5
111.04472	1.3
111.08067	5.2
113.06021	0.8
115.05447	0.8
117.06997	5.0
119.04940	1.0
119.08568	11.3
119.09388	0.7
121.06497	10.0
121.10140	7.0
123.04472	1.7
123.08072	4.1
123.11691	1.2
125.05987	0.8
125.09622	13.6
125.10497	0.8
129.06979	7.1
131.04930	1.7
131.08560	7.9
133.06479	3.4
133.10115	4.5
135.04477	0.5
135.08040	5.4
135.11717	2.1
137.06024	0.6
137.09616	1.7
139.07524	0.5
141.06961	1.0
142.07811	1.1
143.08588	2.5
143.10699	0.9
145.06479	5.5
145.10100	4.7
147.04420	2.0
147.08028	5.2
147.11644	6.8
149.09610	4.2
151.07603	0.8
153.09059	3.2
153.12749	0.9
155.08575	1.5
157.06555	1.6
157.10114	6.3
159.08084	2.3
159.11729	1.9
161.05956	1.2
161.09637	2.2
163.11134	3.5
165.12794	0.8
167.08551	1.1
167.10733	1.4
169.06433	0.8
169.10112	0.9
171.08046	1.3
171.10197	1.6
171.11748	1.7
173.09671	1.9
173.13272	2.2
175.11157	5.4
177.12775	1.2
183.11696	0.7
185.09615	1.1
185.13329	0.8
187.11252	1.5
187.14847	1.2
189.11255	7.5
189.12813	1.5
191.14354	0.9
193.12234	15.9
194.12608	0.7
195.08112	0.6
195.11696	1.7
197.09622	0.7
197.13301	1.2
199.11229	2.0
199.13161	0.8
205.10356	0.8
205.12242	2.2
209.09535	0.6
209.13268	1.0
211.11356	1.0
211.13313	1.4
213.12820	1.4
215.14380	2.2
217.12201	1.1
219.13634	3.0
223.11340	0.6
223.13272	1.2
225.12817	1.2
227.12810	2.2
227.14668	1.3
231.13788	1.4
233.15320	3.6
235.13269	0.9
237.12759	1.8
239.14484	0.7
241.12111	0.7
245.15440	1.3
249.14877	2.0
255.13783	1.8
257.15527	0.7
259.13254	1.6
267.15891	37.9
268.16266	0.7
271.17053	0.9
273.14746	6.2
283.16928	0.9
287.35709	0.6
293.17529	1.3
309.17139	0.8
315.23502	0.6
339.23254	2.9
349.21558	4.3
357.24188	2.5
367.22681	13.9
385.23691	19.1
386.24167	1.3
403.24747	7.0
441.26337	9.8
442.27240	0.6
459.27377	100.0
460.27682	5.7
477.28436	94.7
478.28641	5.8
491.29993	14.0
501.28397	1.6
509.31100	6.5
513.28015	0.7
531.29474	0.8
541.33704	1.5
547.22980	0.7
567.29443	1.5
585.30969	0.8
587.65967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01866	18.4
55.05504	48.2
55.95215	0.7
56.05837	0.7
57.03428	32.0
57.03713	1.5
57.07061	3.9
58.01410	0.6
59.04992	48.4
61.02919	5.8
65.03932	2.7
67.05495	100.0
69.03416	9.9
69.07063	11.5
70.04176	1.0
71.01351	3.0
71.04982	15.0
73.02898	7.0
75.04470	1.0
77.14582	0.6
79.05482	41.3
80.05837	1.2
80.06274	1.0
81.03405	24.2
81.07043	39.7
82.04196	4.9
82.07358	0.9
83.01338	1.5
83.04969	19.5
83.08609	23.0
84.05745	1.0
84.18383	0.7
85.02886	11.4
85.06534	5.8
87.04454	59.0
89.06033	0.8
91.03950	2.1
91.05468	26.6
93.07031	23.0
94.04163	0.7
94.07361	0.9
95.04954	17.2
95.08591	16.4
96.05744	1.7
97.02884	8.6
97.06516	11.0
97.10157	32.2
98.07304	5.8
99.04449	19.7
99.08084	2.2
101.06036	2.0
103.03231	0.7
103.03941	1.8
103.05453	1.1
105.07014	14.0
107.04936	8.6
107.08573	22.2
109.02871	2.2
109.06477	5.4
109.10139	80.0
111.04418	6.2
111.08071	7.5
113.06010	1.8
115.03920	1.8
115.05434	1.0
116.04688	12.3
117.05511	2.1
117.07001	5.4
119.08564	15.8
121.06478	3.5
121.10135	9.5
122.10986	0.8
123.04424	2.0
123.08064	7.0
123.11704	1.7
125.06006	2.0
125.09612	34.6
126.10272	0.7
127.03901	2.5
127.07581	0.9
127.11172	3.5
129.05466	28.6
129.06912	5.2
130.07761	0.8
131.04926	0.8
131.08557	7.7
132.09360	1.0
133.06548	1.4
133.10123	8.0
135.04379	1.3
135.08044	3.5
135.11668	7.5
136.08824	1.6
137.06007	0.8
137.09587	6.0
139.03850	1.1
139.11165	1.1
143.06989	8.1
143.10696	3.1
145.10109	8.1
147.08072	2.2
147.11659	6.0
149.09586	3.6
151.11176	1.3
153.09113	3.1
153.12703	5.4
155.08574	1.1
155.10623	5.0
157.08618	14.6
157.10132	4.0
158.05768	2.4
161.09618	0.9
163.11171	14.8
164.11862	1.3
165.12753	1.7
167.06978	1.2
171.06517	4.3
171.10179	5.6
171.11510	1.3
173.04555	1.4
173.09628	3.4
173.11719	29.8
175.11194	3.2
181.12239	3.4
185.08047	1.9
185.11761	1.8
189.11188	10.3
189.12665	0.6
191.10689	3.8
193.12242	7.6
199.09641	3.6
199.13269	19.5
200.14018	4.2
201.14833	1.7
201.28134	0.8
209.11693	16.4
210.12462	2.2
211.13293	5.2
213.11298	1.8
217.12312	1.3
217.14369	3.5
223.13249	2.4
227.12773	17.1
228.13519	2.1
229.14323	70.4
230.14629	1.7
241.14337	4.5
242.15140	2.0
245.13919	0.8
249.14882	0.8
253.14488	1.1
255.15999	2.7
256.16550	1.0
257.13989	1.5
265.14139	1.5
267.15869	10.4
268.16302	1.3
269.17490	1.6
271.15405	2.0
275.20023	1.0
283.15411	15.1
283.18933	2.6
284.16202	2.8
285.17020	2.4
287.18594	3.0
297.20511	1.1
301.16425	52.4
302.17081	1.2
311.18411	2.0
311.22003	0.8
315.17920	6.6
326.24738	3.0
328.71957	0.8
329.16010	2.0
335.00870	0.7
335.05539	1.1
339.21744	0.9
353.23410	2.6
363.04980	1.9
369.22919	1.5
371.24139	2.0
377.06613	1.5
383.24411	3.3
409.25992	1.0
421.25986	4.6
425.25385	2.1
437.25409	4.0
438.26099	5.1
439.26624	1.3
443.26315	5.0
455.26315	51.3
456.26920	2.0
459.26733	1.2
477.28244	1.7
495.29459	1.3
509.27396	1.8
541.30042	30.6
542.30212	1.2
547.12640	0.9
559.31134	19.1
627.68542	0.9
757.20868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01864	16.0
55.05246	2.6
55.05501	41.0
57.03167	1.8
57.03427	29.6
57.07051	3.4
59.04992	56.9
61.02910	6.9
65.03927	3.3
66.63014	1.4
67.05495	100.0
69.03424	10.0
69.07060	14.8
69.48306	1.2
70.06583	1.9
70.48503	3.9
71.01331	3.7
71.04984	11.4
73.02888	7.6
76.15140	1.3
79.05479	38.1
80.05772	1.4
81.02956	1.6
81.03405	22.8
81.07044	40.4
82.04190	4.0
83.01324	1.3
83.04970	18.1
83.08607	20.0
84.05275	1.4
84.05756	1.3
84.08939	2.2
85.02892	11.8
85.06521	5.8
86.09674	2.1
87.04456	64.8
91.03941	1.7
91.05463	25.1
93.07033	24.9
95.04957	18.8
95.08588	19.3
96.05796	2.1
97.02887	8.4
97.06511	11.7
97.10154	26.6
98.07298	5.2
99.04444	13.4
99.08076	1.8
101.05998	2.6
103.03857	1.3
105.07005	14.1
107.04936	6.6
107.08577	21.4
109.02876	1.4
109.06499	4.6
109.10139	86.7
111.04414	5.1
111.08055	9.9
113.05984	2.8
115.03871	1.6
116.04695	11.4
117.05460	1.8
117.06989	7.7
119.08572	15.6
121.06482	3.3
121.10140	10.2
123.04450	1.4
123.08058	7.6
123.11705	2.0
125.05950	1.8
125.09609	29.0
127.03875	2.3
127.11137	2.7
129.05461	26.2
129.06976	4.9
130.07759	1.3
131.08545	7.6
133.10101	10.0
135.08063	4.3
135.11656	6.5
137.09592	8.6
139.03889	2.9
143.07018	6.2
143.10625	2.6
145.10124	9.1
147.08015	3.3
147.11688	6.0
149.09566	4.2
153.09097	2.8
153.12675	3.7
153.59576	1.4
153.64764	1.3
155.10579	6.4
157.08562	14.3
157.10039	5.3
158.05684	2.8
163.11156	15.1
165.12755	1.8
171.06512	4.1
171.10159	4.1
173.04472	1.6
173.09557	3.3
173.11723	29.1
175.11171	4.1
181.12186	4.7
184.07278	6.2
185.07950	2.3
189.11226	8.4
191.10651	4.4
193.12184	7.0
199.09526	2.0
199.13264	18.2
200.14030	3.9
209.11708	16.9
211.13235	6.9
213.11160	1.9
217.14311	2.0
223.13248	1.9
227.12778	16.1
229.14317	74.1
230.14636	1.6
241.14313	2.0
242.15134	1.3
255.15921	4.3
267.15884	13.6
269.17538	2.2
271.15659	1.4
283.15411	14.4
283.18625	2.6
284.16061	2.4
285.16812	1.8
301.16422	48.7
301.19717	1.6
311.18359	1.8
315.17911	4.9
326.24554	2.0
329.15805	2.9
353.23102	1.5
383.23990	4.3
421.25821	6.8
425.25415	1.7
431.78195	1.6
437.24982	6.0
438.26205	6.6
439.27145	1.5
455.26352	53.3
477.28000	2.7
483.25360	1.7
493.27960	1.7
495.29636	1.7
509.28412	2.0
541.21924	2.1
541.29962	27.7
559.31000	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01612	1.6
55.01863	22.8
55.05254	2.3
55.05504	44.3
57.03170	1.9
57.03434	23.5
57.07060	5.2
57.43888	1.3
58.98021	1.4
59.04982	4.2
61.02907	4.2
65.03927	4.5
67.05495	92.9
68.05840	2.0
69.03422	30.0
69.06703	2.0
69.07063	35.7
71.01347	3.0
71.04985	13.3
71.77769	2.2
72.01218	1.3
73.02895	6.3
76.12148	1.5
79.05483	64.6
81.03408	80.9
81.07045	100.0
82.04169	3.0
82.07365	1.8
83.04972	27.0
83.08609	25.9
85.02891	23.0
85.06534	7.5
87.04465	1.9
91.03922	2.6
91.05469	69.7
93.07034	65.8
95.04955	41.0
95.08025	3.3
95.08595	46.6
97.02882	24.7
97.06521	22.6
97.10154	21.6
98.07327	2.3
99.04439	6.4
99.08068	4.6
101.02325	1.9
103.05439	1.6
104.27664	1.6
105.07015	54.6
107.04942	22.4
107.08577	37.9
109.02855	15.2
109.06513	12.9
109.10145	35.5
111.04453	7.7
111.08063	11.9
113.05984	3.6
115.05421	3.4
116.04693	4.0
117.06992	21.1
119.04896	2.9
119.07760	3.1
119.08563	41.1
121.06518	10.4
121.10118	27.6
123.04428	3.1
123.08049	12.5
123.11681	6.9
125.05976	3.0
125.09610	15.9
127.03917	18.7
127.11196	1.8
128.06229	3.4
129.05473	13.8
129.06972	14.0
131.04898	3.0
131.08557	35.4
132.05713	1.6
133.06433	6.1
133.09186	2.9
133.10107	32.8
135.08017	9.2
135.11653	12.7
137.02348	3.6
137.09575	9.7
139.07516	1.8
141.06984	2.9
142.07732	4.5
143.07019	2.8
143.08531	6.3
145.04962	2.1
145.06477	3.9
145.10083	24.4
147.08023	8.8
147.11671	23.0
149.09608	18.6
149.13217	10.0
151.07607	1.6
151.11142	5.5
153.01781	3.5
153.09044	2.5
153.12740	2.3
155.08516	2.6
155.10594	1.7
157.08716	3.5
157.10100	15.2
159.08049	4.0
159.11647	13.4
161.09572	5.4
161.13245	5.4
163.07590	1.5
163.11148	12.3
165.08966	2.3
165.12762	4.8
167.08499	2.0
169.10071	4.5
171.06641	2.5
171.08011	2.6
171.10170	2.3
171.11697	5.4
173.04436	15.1
173.09550	3.3
173.11716	8.3
173.13136	3.3
175.11171	13.5
177.12735	7.5
181.12173	2.9
183.11604	1.8
183.98650	2.1
184.07346	3.0
185.13225	3.4
187.11165	2.4
187.13055	2.5
189.11183	10.4
189.12730	3.0
191.10599	2.2
193.12230	25.6
195.13780	5.0
197.13237	2.9
199.11086	1.8
199.13255	3.9
201.12720	2.1
203.12685	1.9
205.12173	2.1
209.11728	6.5
211.13252	25.2
213.12805	1.6
213.14792	1.5
217.85738	1.7
219.13734	2.1
223.13228	8.0
227.12752	13.0
229.04965	2.0
229.14264	16.1
243.15834	5.1
249.14819	4.2
255.15889	2.2
257.04291	1.8
257.18927	6.1
261.18631	1.9
263.20181	2.2
267.15881	16.3
269.17435	14.2
273.18503	14.2
275.20038	27.5
283.15488	7.7
285.17020	15.6
291.19510	64.2
292.19739	4.1
293.21249	4.1
301.16446	24.5
303.04959	83.0
304.05246	4.7
315.19604	2.0
343.22687	2.4
345.06235	1.7
347.22058	5.4
349.23682	13.3
365.23438	7.4
383.24338	3.2
383.33469	1.6
393.26666	2.1
413.21527	4.2
417.73853	1.9
421.25565	3.0
423.27255	12.2
429.21231	2.1
435.23123	2.8
439.26700	5.4
453.28210	4.8
461.28592	3.3
477.28271	5.2
479.30078	3.5
495.29562	11.8
503.33527	4.1
529.35034	1.9
540.33783	2.1
541.34949	2.6
543.35974	1.9
557.34784	11.1
558.34875	2.4
559.36261	3.9
575.35779	19.8
593.36951	11.0
599.36035	2.3
639.33313	5.7
701.38251	2.4
719.40076	3.1
737.40552	4.5
755.39685	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	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01861	4.1
55.05503	26.2
57.03431	10.3
57.07074	2.5
60.56933	1.3
60.62847	1.2
63.81985	1.4
65.03920	4.1
66.69985	1.4
67.05495	69.6
67.76280	1.4
69.03403	2.4
69.07060	18.9
71.04964	3.4
73.06551	1.7
79.05481	93.5
80.05800	2.0
81.03412	8.6
81.07045	65.0
83.04966	13.6
83.08601	12.9
85.02890	2.3
85.06499	5.0
91.05466	94.4
92.05746	1.4
93.07033	100.0
95.04961	21.9
95.08023	2.9
95.08596	43.6
97.02863	1.7
97.06510	7.9
97.10150	3.8
98.20712	5.3
99.08089	1.7
105.04480	2.0
105.07015	81.9
105.07729	3.9
106.07315	1.7
107.04944	8.4
107.08578	40.3
109.06518	7.7
109.10139	13.9
111.08062	3.0
117.06998	21.9
119.08564	68.0
121.06494	3.5
121.10127	21.4
123.08049	7.6
123.11656	3.6
128.06200	4.1
129.05515	1.8
129.06981	28.3
130.07742	1.9
131.08554	22.6
133.10114	44.5
135.08037	2.1
135.11664	15.4
141.06961	3.2
141.63716	1.4
143.08543	17.2
145.06442	1.7
145.10110	28.7
147.07980	3.3
147.11670	62.7
149.09541	2.1
149.13240	9.1
151.11082	1.5
155.08514	3.2
157.10147	9.9
159.11664	16.1
161.09602	6.2
161.13237	41.9
163.11159	3.2
163.14841	4.8
169.10107	4.1
171.11671	35.5
173.13261	11.6
175.11209	2.0
175.14790	14.9
177.12778	4.3
179.14232	1.4
181.10078	2.1
183.11681	3.5
183.30518	1.6
184.07317	2.7
185.13232	9.6
187.11250	2.4
187.14781	4.7
189.12721	12.2
193.12379	1.8
195.11639	3.3
197.13237	2.4
199.14751	4.3
201.16478	1.9
205.16093	1.5
207.13768	23.9
211.14844	1.8
213.16333	3.5
215.17833	1.7
217.15738	1.5
217.19571	2.8
231.17395	1.7
231.21066	5.6
234.97398	1.8
241.14252	1.7
241.19470	28.5
243.20941	2.1
251.17958	1.8
257.18951	4.8
259.20554	77.1
261.22464	1.7
279.15891	25.1
281.17429	77.0
283.34326	1.5
295.50378	1.4
297.16916	3.4
315.23175	8.2
331.22644	1.9
333.24179	52.7
429.31152	1.8
446.81143	1.4
447.32523	11.0
465.33640	8.7
483.34616	4.0
521.35999	4.5
529.39319	2.2
539.37268	98.3
540.37482	6.0
557.38397	36.9
558.38501	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	754.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01870	5.4
55.05505	9.1
57.03428	2.8
57.07082	0.8
59.04984	1.2
61.60317	0.4
65.03915	0.8
67.05496	16.8
69.03414	1.1
69.06699	0.8
69.07058	11.3
69.52058	4.7
71.04977	1.6
79.05483	13.1
81.03410	5.8
81.07047	21.0
83.01338	2.2
83.04973	5.9
83.08615	4.9
85.02891	1.7
85.06509	0.7
86.09686	0.8
91.05469	22.6
93.07035	17.8
95.01318	2.9
95.04955	5.7
95.08591	12.4
97.02879	1.6
97.06517	8.6
97.10181	1.6
99.04466	1.1
103.05485	0.9
104.53229	0.4
105.07018	31.6
106.07401	0.4
107.04942	7.7
107.08588	9.5
109.02837	0.6
109.06499	3.7
109.10126	3.8
111.04433	0.8
111.08100	1.5
117.07012	6.7
119.08566	17.3
121.06499	1.7
121.10133	5.5
123.04383	0.9
123.08067	3.6
123.11711	1.0
124.99948	0.5
125.05941	0.5
125.09608	1.1
125.87860	0.4
129.07002	1.6
131.08543	8.6
133.10124	15.8
135.08058	1.2
135.11681	6.1
137.09615	1.0
139.07552	1.0
141.07039	0.7
143.08591	1.0
145.06467	1.1
145.10094	10.4
147.08069	1.2
147.11667	7.6
149.09610	3.2
149.13295	1.2
149.69958	0.4
151.11124	1.0
153.12779	0.6
155.08510	1.1
157.10138	1.5
159.11673	3.8
161.13258	2.0
163.11154	8.1
165.09029	0.7
169.10130	0.6
171.11601	0.9
173.09708	0.8
173.13301	1.6
175.11137	0.8
177.12769	0.7
179.14267	5.0
181.12253	1.3
183.11665	0.6
184.07361	1.6
187.11162	0.8
187.14778	0.7
191.10678	0.6
195.13745	0.5
197.13382	0.6
209.11757	1.1
219.17442	1.1
227.12816	1.0
239.17961	0.4
247.20668	1.2
257.19000	1.5
259.53534	0.4
265.14407	0.5
267.15961	0.6
275.20038	26.9
276.20325	0.5
279.15906	0.6
283.15363	20.2
293.21140	1.6
349.23697	14.6
349.27954	0.8
477.28134	0.5
478.31595	0.5
539.33459	2.3
557.34686	100.0
558.34967	3.7
575.35406	0.9
701.39667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01858	11.0
55.05501	27.2
56.96552	0.8
57.03169	1.2
57.03428	16.8
57.07064	2.9
59.04988	2.3
61.02903	2.1
65.03926	1.7
66.04710	1.2
67.05492	53.3
69.03419	18.5
69.07050	10.9
69.42455	6.7
69.42881	3.0
71.01339	2.5
71.04976	12.0
73.02903	3.2
79.05478	46.9
80.06248	1.3
81.03403	100.0
81.06564	2.0
81.07041	40.6
82.03735	1.0
82.04182	2.6
83.01315	1.1
83.04970	23.8
83.08601	24.9
84.05741	1.5
85.02887	23.9
85.06512	4.2
87.04456	1.0
91.05463	41.5
92.05801	1.1
93.07028	33.6
94.04157	1.6
94.07813	1.8
95.04955	37.3
95.08588	19.5
97.02879	17.6
97.06512	12.5
97.10155	15.7
98.03651	9.8
98.07292	1.9
99.04449	5.7
99.08068	2.9
105.07012	25.1
107.04942	19.4
107.08582	18.6
109.02863	8.3
109.06496	7.8
109.09420	1.6
109.10136	22.3
109.10889	1.3
110.07255	6.7
111.04435	9.7
111.08057	14.3
113.05972	4.6
115.03955	1.2
115.05428	2.7
116.04678	2.5
117.06998	7.9
118.19376	0.8
119.04908	1.9
119.08560	25.2
119.09425	1.3
121.02865	1.1
121.06503	4.9
121.10118	15.8
123.04395	6.2
123.08058	8.4
123.11690	3.0
125.05962	4.0
125.09615	16.3
127.03905	8.4
127.07558	1.1
127.11184	0.9
129.05490	8.1
129.06981	12.4
131.04898	1.4
131.08543	14.2
133.06454	4.4
133.10100	14.1
135.04395	2.3
135.08002	3.9
135.11658	8.8
136.08734	0.9
137.05972	1.1
137.09590	4.9
138.36273	0.9
139.03926	2.0
139.07500	0.9
141.06920	1.0
142.07747	2.2
143.07040	2.0
143.08542	2.2
143.10704	1.4
145.06473	2.0
145.10092	10.6
147.04404	1.1
147.08055	5.0
147.11662	20.3
149.05963	1.6
149.09578	9.0
151.11215	1.6
153.05450	1.8
153.09103	4.8
153.12677	4.1
155.08498	2.0
155.10658	1.4
157.08617	2.8
157.10085	16.3
161.05963	1.2
163.03859	1.1
163.07512	1.0
163.11150	13.5
164.11813	0.9
165.12738	5.3
171.06535	1.4
171.08029	1.3
171.10129	1.6
171.11584	1.2
173.04434	19.6
173.05928	1.1
173.09615	3.9
173.11690	8.4
174.91499	0.9
175.11159	16.1
181.12180	4.9
184.07329	1.7
189.11177	6.0
189.12656	1.1
191.10638	7.4
192.11244	1.0
193.12207	52.7
194.12621	1.1
199.06026	7.2
199.13232	7.4
209.11717	11.6
211.13255	60.1
212.13652	0.9
217.07269	0.9
223.13246	1.6
224.14023	3.3
227.12720	15.3
229.14305	7.5
247.13298	1.2
249.15013	1.2
255.15913	2.2
263.41635	0.8
265.14285	2.5
267.15869	32.2
273.14841	1.0
283.15424	13.6
285.16922	25.9
298.17719	1.1
301.16412	10.0
315.17917	3.7
337.16364	1.3
339.18063	1.7
353.15808	1.7
383.21918	2.0
409.25903	2.8
411.20139	2.2
421.25739	7.7
427.19562	2.4
427.26801	4.8
429.21088	1.9
439.26843	48.0
440.27167	2.3
445.20782	4.4
447.27536	1.3
457.25986	1.4
458.26590	0.9
459.27316	2.7
465.28534	0.9
475.26923	5.2
476.27356	2.3
477.28412	3.2
490.29492	1.2
493.27908	15.9
494.28674	3.1
495.28815	1.1
507.29602	4.9
508.30255	3.1
511.28867	12.2
619.30426	1.3
621.32220	2.8
637.31604	2.2
639.34064	4.7
655.32538	7.4
656.33820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89785	1.1
53.03937	8.5
55.01868	17.5
55.05504	44.8
57.03164	1.4
57.03430	22.5
57.07056	4.4
59.04989	5.3
59.23214	1.1
60.12300	1.2
65.03918	4.3
67.05496	97.6
69.03417	25.4
69.07056	28.0
69.52898	12.6
71.01339	4.2
71.04993	9.7
73.02908	4.3
79.05482	44.5
81.03407	100.0
81.07046	57.4
82.03728	1.1
83.01360	1.4
83.04967	24.4
83.08611	27.6
85.02891	46.2
85.06525	5.5
87.04453	3.0
91.05467	40.3
93.07031	31.7
95.04954	39.4
95.08599	21.5
97.02878	24.6
97.06514	11.9
97.10160	23.0
99.04415	7.9
99.08051	2.3
101.02355	2.1
103.03922	3.4
103.05446	1.4
105.03357	1.3
105.07012	26.8
107.04955	15.8
107.08575	27.9
107.09256	2.5
109.02866	24.5
109.06507	10.1
109.10143	52.8
111.04433	11.2
111.08069	13.7
113.05981	2.4
115.05389	2.4
117.07008	10.0
119.04915	3.8
119.08569	24.9
121.06500	6.7
121.10111	13.9
123.04416	7.4
123.08077	7.4
123.11690	2.0
125.05950	2.6
125.09625	20.4
127.03889	11.8
127.11145	2.0
128.06187	2.8
129.05481	3.9
129.06993	11.6
131.03404	3.4
131.04912	3.3
131.08563	16.5
133.06458	7.2
133.10115	11.1
135.04382	2.5
135.08069	5.8
135.11664	7.2
137.09579	6.3
139.03854	2.1
141.06905	1.9
142.07784	2.9
143.08556	3.8
143.10654	3.0
145.06476	3.5
145.10107	9.3
147.04384	4.7
147.08072	6.5
147.11665	15.9
149.05939	1.7
149.09547	7.3
149.13280	1.3
153.05484	2.3
153.09068	1.7
153.12704	5.1
155.08505	2.5
155.10616	1.8
157.04927	1.9
157.10089	13.3
159.04248	1.2
159.07983	2.4
159.11711	3.3
161.05954	2.2
161.09595	4.8
163.11133	11.0
165.12743	3.8
167.08470	1.6
169.10132	1.5
171.06563	1.6
171.08014	1.4
171.10327	1.3
171.11693	2.7
173.04466	11.3
173.09598	3.3
173.11739	13.4
173.13142	2.3
175.07552	1.7
175.11200	11.6
181.12184	6.1
183.06494	3.2
184.07277	1.5
185.13275	1.7
187.11098	2.6
189.11200	7.5
189.12752	4.2
191.10760	6.0
191.12320	1.3
193.12215	37.7
199.05942	2.3
199.11276	3.2
199.13237	4.1
201.14836	1.9
205.12265	1.5
209.11676	8.5
211.05870	1.4
211.11238	2.5
211.13261	41.6
217.12210	3.8
217.16104	1.3
223.13290	4.9
227.12689	16.1
227.14455	1.5
229.14326	34.3
235.13260	4.6
245.13730	1.7
247.13351	1.6
249.14905	2.6
257.13654	1.9
259.13177	2.6
267.15900	19.6
269.17557	2.1
273.14856	1.8
273.18527	6.2
277.14420	1.9
283.15469	9.5
285.17026	8.8
289.14297	1.4
291.19418	12.2
301.13766	2.6
301.16653	3.8
307.15527	1.6
309.17017	10.1
319.15320	4.0
337.16489	1.4
353.15872	2.6
355.17551	2.1
365.23230	4.2
375.17896	1.7
393.18912	2.0
399.23926	1.8
409.25916	2.5
411.19754	2.1
421.25854	5.0
439.26883	39.8
463.26697	5.3
475.26596	1.8
477.28040	2.4
493.28040	4.0
511.29086	2.8
519.32922	5.2
573.34039	1.9
594.41168	1.8
609.35992	4.8
637.31824	3.1
655.32880	2.6
735.39185	3.3
750.54163	1.7
753.40558	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	752.514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.01847	1.1
55.05505	4.1
57.03426	9.7
57.07069	23.7
60.08126	1.1
61.02868	0.9
67.05494	10.3
69.03413	1.5
69.07052	5.1
69.84569	4.8
71.04949	1.3
71.08621	17.2
72.98016	0.6
79.05487	6.3
81.03406	49.6
81.07043	15.3
83.04946	1.7
83.08608	15.8
85.02862	0.9
85.06497	0.9
85.09685	0.6
85.10168	10.5
86.09696	3.8
89.06001	1.4
91.05467	9.0
93.07025	5.3
95.04404	0.9
95.04954	13.9
95.08594	15.6
97.02844	1.7
97.06476	0.9
97.10169	4.4
98.21410	1.2
103.07545	1.0
104.05228	0.6
105.07005	7.0
107.04919	4.1
107.08584	2.8
109.06487	1.5
109.10143	7.3
111.04396	1.5
111.08086	4.0
115.05382	0.7
117.06969	0.7
117.64584	0.7
119.07861	0.6
119.08565	6.9
121.06464	1.9
121.10142	4.6
123.04348	0.8
123.08044	1.0
123.11697	3.5
124.99931	2.1
129.06995	5.0
131.08545	4.8
133.06448	2.0
133.10065	2.4
137.05991	0.6
137.09570	1.0
137.13177	1.2
142.07722	1.4
145.10156	0.9
147.07979	1.9
147.11684	4.1
149.09599	3.6
149.54105	0.6
157.10089	6.8
165.12802	1.3
173.09598	0.7
175.11182	5.1
184.07315	13.2
193.12218	18.8
211.13275	1.4
223.13235	0.7
235.13332	1.1
239.23697	1.5
249.14830	1.9
257.24792	1.9
259.13367	1.2
267.15875	100.0
268.16171	1.3
301.14389	1.0
309.17004	1.8
313.27319	96.1
314.27625	1.8
411.98355	0.6
505.38831	84.5
506.39084	2.1
523.39575	1.3
547.39728	2.0
601.40674	0.7
631.42480	0.9
649.41998	0.9
688.45966	1.7
779.39136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
53.19854	0.4
55.01864	10.7
55.05502	8.6
57.03425	2.9
57.07059	0.8
61.02899	0.5
65.03937	0.8
67.05492	20.9
69.03419	1.1
69.07057	15.0
70.79829	1.9
71.04979	1.6
73.06544	0.9
79.05478	26.9
81.03404	4.9
81.07040	26.9
83.04967	6.8
83.08610	4.6
85.02924	0.6
85.06537	1.4
87.04389	0.6
91.05462	27.5
92.05759	0.8
93.07026	25.6
94.07364	0.5
95.01299	3.5
95.04954	8.8
95.08585	16.8
96.89278	0.4
97.06513	21.4
97.10162	1.6
99.08085	0.8
103.05452	1.1
105.07011	35.3
107.04931	8.4
107.08575	10.7
109.06492	2.9
109.10119	3.6
111.04398	0.4
111.08056	1.2
113.09634	0.8
117.06991	6.7
119.08560	21.2
121.06505	2.3
121.10120	3.9
123.04435	0.9
123.08047	2.4
123.11696	0.9
125.09615	1.0
127.07568	0.7
128.06190	0.6
129.06989	4.9
130.07785	0.6
131.08534	8.2
133.06549	0.7
133.10107	18.1
134.10561	0.5
135.08086	1.6
135.11667	3.5
137.09572	1.3
139.07536	1.1
141.06958	0.7
143.08514	4.1
145.06477	1.1
145.08992	0.6
145.10109	8.4
147.08047	1.1
147.11658	15.0
148.12077	0.4
149.09616	3.5
149.13269	1.5
151.11140	0.7
155.08571	1.1
156.09309	0.9
157.10088	1.1
159.07899	0.6
159.11668	5.4
161.09602	1.5
161.13193	5.0
163.11165	2.3
165.09129	1.3
169.10104	0.9
171.11667	7.3
173.13231	1.2
175.11192	0.6
177.12770	1.9
179.14290	5.9
183.11656	0.7
184.07384	0.8
185.13213	0.6
187.11226	1.5
189.12714	2.5
191.14333	0.5
195.13846	0.5
197.13203	0.7
205.12209	0.5
207.13763	4.4
211.14876	0.5
229.19408	0.6
239.17998	0.7
247.20531	1.1
251.39935	0.5
257.19095	2.6
259.20554	1.0
263.16275	1.1
275.20007	33.8
276.20300	0.9
279.15839	3.3
281.17429	28.9
282.17868	0.7
293.21078	3.0
301.38306	0.5
311.25607	0.7
349.23669	16.0
377.23209	0.8
459.30740	0.6
527.37598	0.7
537.35663	1.8
555.36719	100.0
556.37012	4.6
573.37994	1.5
728.24884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01865	7.7
55.05504	23.2
57.03429	9.2
57.07062	2.0
59.04985	1.7
61.02909	1.9
65.03919	3.4
67.05494	60.9
68.26450	0.9
69.03413	8.5
69.06698	1.0
69.07058	15.8
70.06584	1.6
71.01335	1.6
71.04977	7.3
71.08623	14.7
71.79995	1.4
71.80376	1.3
73.02902	1.2
77.03934	0.9
79.05481	44.7
80.04993	1.8
80.05831	0.9
81.03407	100.0
81.07043	54.2
82.03741	1.4
82.06568	1.7
82.07388	1.0
82.19136	0.9
83.04966	12.9
83.08611	25.7
83.37207	1.1
84.08128	1.2
85.02892	4.8
85.06541	3.8
85.10168	1.3
91.05466	44.3
93.03443	0.8
93.07030	42.4
94.06543	1.4
94.07317	1.3
95.04955	35.5
95.08595	26.2
97.02859	6.2
97.06515	7.9
97.10152	6.2
98.06002	1.2
98.98424	1.9
99.04468	2.2
99.08085	10.6
103.05448	2.1
105.07017	35.2
105.07733	2.1
106.07330	1.0
107.04945	15.4
107.08585	21.6
109.02875	2.3
109.06493	9.8
109.10139	13.9
111.04413	5.1
111.08085	10.9
113.05990	1.8
113.09627	2.9
115.05437	3.2
117.06982	10.3
119.04939	2.5
119.08567	24.4
121.06509	7.4
121.10120	16.1
123.04398	2.3
123.08035	5.0
123.11689	4.1
124.99982	1.3
125.09612	3.5
126.12771	1.9
127.03930	3.2
128.06184	2.6
129.06984	13.0
131.08553	18.3
133.06493	5.2
133.10106	15.1
135.08049	3.2
135.11685	9.5
137.09618	3.2
137.13263	0.9
139.03851	1.5
139.11124	1.6
141.06981	1.4
142.07741	2.5
143.08560	4.7
145.06450	1.8
145.10130	6.9
147.08023	5.8
147.11671	14.0
149.09618	7.8
149.13249	7.4
151.11143	10.2
153.12730	1.4
155.01051	2.2
155.08505	1.4
157.10094	13.3
159.08078	1.8
159.11662	8.3
161.09645	3.0
161.13277	5.0
163.11191	10.2
164.81911	1.0
165.09091	1.1
165.12721	3.9
169.10114	1.4
171.11673	3.7
173.04475	1.8
173.11775	1.7
173.13246	1.8
175.11203	11.9
175.14827	1.6
177.12758	4.9
179.14290	4.5
181.12268	1.1
184.07339	3.6
185.13210	3.1
187.11256	2.1
190.43839	1.0
193.12216	17.6
195.11623	1.8
195.13721	2.1
209.11812	1.3
211.13257	4.2
218.15428	1.1
220.16931	8.3
225.16454	1.1
227.12675	1.9
229.14215	2.2
233.15353	1.6
236.16396	12.3
238.17992	3.4
241.19565	1.9
249.14844	4.1
251.16440	3.3
259.20560	2.7
267.15875	22.2
269.17459	2.7
270.17545	0.9
273.18506	2.7
274.27502	2.5
275.20016	2.1
277.21567	7.0
281.17593	1.3
283.15454	1.6
285.16873	1.2
289.18011	1.6
291.19418	2.1
291.48398	0.9
294.20575	1.2
295.22641	1.0
300.13803	1.0
315.23270	1.8
318.14658	3.4
320.25836	1.8
333.24350	1.7
336.15607	1.2
347.21786	1.1
351.25275	4.7
365.23102	1.1
374.17264	1.1
381.22842	1.9
390.17212	1.2
392.18326	6.3
397.26016	1.8
411.20370	1.1
423.27252	1.2
429.20834	1.3
431.21707	1.0
443.28009	5.6
447.27631	1.6
461.28946	70.0
462.29099	2.7
466.19321	1.4
474.26129	1.3
486.32196	1.3
521.34497	1.5
525.35693	14.3
533.30981	1.2
543.36749	88.5
544.36908	4.0
561.37787	35.3
562.37518	2.1
573.34192	3.0
584.29791	32.9
585.30139	1.4
666.37769	7.5
684.38892	4.8
735.39185	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	752.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.0
55.01867	22.7
55.05505	41.8
57.03431	25.9
57.07073	4.8
59.04985	5.4
59.26506	1.7
61.02904	4.4
65.03932	4.7
67.05497	82.2
68.05829	2.3
69.03418	27.1
69.07063	21.3
69.83638	5.1
69.84056	7.5
70.06585	3.9
71.01326	4.0
71.04984	22.9
71.08592	1.8
73.02909	5.0
75.24089	1.7
79.05482	57.9
80.05795	2.2
81.03407	100.0
81.07048	64.0
81.07413	1.0
82.03721	1.9
82.04180	5.2
83.01319	10.2
83.04970	29.4
83.08613	27.4
85.02905	22.8
85.06534	5.9
87.04456	3.9
91.05013	1.4
91.05465	54.6
93.07030	57.9
94.04139	3.6
94.07839	2.7
95.04956	35.2
95.08586	25.6
97.02871	26.3
97.06508	20.4
97.10148	25.6
98.03667	11.5
98.07315	2.5
99.04456	12.3
99.08057	3.7
105.07024	36.6
106.07326	1.8
107.04932	29.6
107.08581	36.1
109.02869	12.8
109.06499	17.9
109.10138	39.5
110.07284	5.9
111.04443	12.9
111.08096	11.2
111.08729	1.7
113.05975	4.8
116.04717	3.7
117.07008	20.2
119.04935	2.4
119.08565	22.1
121.06493	13.2
121.10120	23.3
123.04396	10.0
123.08065	17.9
123.11692	2.0
125.05981	6.4
125.09628	22.9
127.03893	14.0
127.07542	3.0
128.06194	2.7
129.05481	10.9
129.06993	11.4
131.04898	3.2
131.08543	16.9
133.06464	2.0
133.10121	16.3
135.04408	4.0
135.08031	7.1
135.11667	21.4
137.05980	2.2
137.09621	6.2
139.03842	2.6
143.08574	4.3
145.06438	3.7
145.10098	29.4
147.08043	6.3
147.11691	12.0
149.09625	6.9
151.11201	4.1
153.05464	3.3
153.09097	8.4
153.12740	10.1
155.08562	5.6
157.08702	2.2
157.10101	7.0
159.11729	2.2
161.09581	4.2
163.03905	2.6
163.11162	40.3
165.12732	5.1
171.10077	2.1
171.11533	2.2
173.04442	27.5
173.05794	3.0
173.09613	6.4
173.11731	10.3
175.03926	1.7
175.11209	5.8
181.12201	11.0
184.07339	6.5
187.11241	2.4
189.11217	10.0
191.10645	13.8
193.12245	12.6
199.05956	8.2
199.13274	5.9
203.06876	2.1
209.11690	18.7
211.13249	14.5
217.31868	1.7
223.13281	2.3
224.13988	4.9
227.12733	27.6
229.14323	10.8
230.24760	2.8
231.25151	1.8
265.14359	5.1
267.15869	15.9
269.17548	1.9
274.27359	19.2
283.15375	57.4
284.15921	2.7
285.16992	11.2
297.16977	2.2
301.16330	10.4
337.16449	3.5
345.19043	2.5
353.15927	5.1
391.17160	2.5
411.20193	2.3
425.25131	3.3
427.19501	7.2
437.25305	77.8
438.25879	3.7
439.26944	3.6
442.09653	1.9
445.20782	4.3
451.27014	2.4
474.25974	4.2
475.26971	5.1
477.28632	2.5
491.26178	18.8
492.27216	2.8
493.28036	3.1
506.28693	3.2
509.27341	20.1
555.31201	9.5
619.30847	3.4
635.30060	2.1
637.31738	10.1
638.31970	2.1
653.31372	9.7
748.31445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01846	0.7
55.05496	1.1
57.03426	7.0
59.04984	0.5
61.02917	1.6
65.03936	0.8
67.05491	1.3
68.99776	2.5
69.03425	1.3
69.07060	0.4
69.81860	0.6
69.82270	2.5
71.04980	51.7
73.02905	1.1
74.09700	0.5
75.04467	1.5
79.05473	1.3
81.03403	1.7
81.07053	1.0
83.04970	1.5
85.02891	50.9
87.04449	1.5
87.67577	0.4
89.49887	0.4
91.03936	0.5
91.05469	1.5
92.02620	1.0
93.03394	1.1
93.07025	1.2
94.07332	0.4
95.01318	0.6
95.04955	1.2
95.08582	0.8
97.02876	1.2
98.21433	0.9
99.04427	0.6
101.02345	0.4
103.05463	0.4
103.73131	0.4
105.07016	1.1
107.04926	0.5
107.08574	0.7
108.08209	0.4
109.02848	0.5
109.10162	0.4
110.03655	0.6
111.00787	1.2
111.04449	1.3
115.05434	0.5
119.01344	0.4
119.08577	0.6
121.02863	1.3
121.06496	0.7
121.10134	0.9
123.04400	1.1
126.03120	0.5
129.05463	12.3
129.06944	0.6
131.08553	1.0
133.02829	0.6
133.10080	0.5
137.02322	7.3
137.03358	0.5
137.05952	0.5
139.03870	2.6
145.06456	0.7
147.04478	1.0
147.06519	1.4
149.02303	0.6
153.01804	14.7
161.05995	1.6
163.03908	2.1
165.00696	0.4
165.01785	2.5
166.02646	0.5
167.06967	1.0
171.04443	1.0
173.05957	1.3
175.03952	0.6
175.11121	0.5
177.05444	1.6
179.03365	2.3
183.02910	0.9
187.03810	1.0
189.05447	2.7
191.03410	1.0
193.01387	0.5
193.12198	0.6
195.02876	0.7
199.03854	0.6
200.04739	0.6
201.05473	2.2
203.03355	1.9
204.04201	0.5
213.05505	0.5
217.02824	0.7
217.04929	13.0
218.05557	0.8
219.02901	0.5
227.03334	2.5
228.04108	3.0
229.04970	6.6
231.02798	1.1
239.03383	1.2
245.04424	12.4
246.05138	1.5
247.05916	0.7
251.06735	0.5
255.02887	2.5
256.03589	0.8
257.04404	5.2
258.05185	0.6
259.02875	0.4
267.02866	0.4
267.15781	0.7
269.04468	1.8
273.03897	72.0
274.04565	5.7
284.15628	0.5
285.03879	8.1
285.06906	0.7
287.05707	0.6
301.03384	19.1
301.14313	0.5
302.04163	32.7
303.04938	71.5
304.05136	2.2
313.03378	34.3
314.03714	1.4
315.04996	1.2
331.06314	0.6
377.06686	1.2
387.04636	0.5
405.06116	1.9
421.05334	1.0
433.05505	1.3
443.18637	0.6
444.19119	0.5
447.65472	0.4
451.06488	0.8
487.21564	0.5
488.22263	0.7
501.23080	0.9
502.23248	1.7
515.06439	0.4
539.05743	0.6
557.07025	1.4
585.06555	10.3
586.07190	0.5
603.07611	100.0
604.08057	4.8
645.08606	0.5
730.34674	0.7
731.33643	0.7
748.37885	9.6
749.38007	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	748.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
55.01851	3.0
55.05505	21.8
57.03439	5.1
57.07070	56.9
58.65277	0.9
62.06077	1.5
65.03922	3.1
67.05497	54.5
68.05833	0.9
69.03426	1.3
69.06696	1.4
69.07059	22.2
71.04971	3.1
71.08623	56.1
71.82020	1.7
74.44380	0.9
75.35530	0.8
77.03921	0.9
79.05483	31.0
80.05000	3.7
81.03397	3.2
81.07047	58.5
82.06566	2.6
83.04980	6.9
83.08612	20.9
85.06522	2.4
85.10169	21.0
86.09708	1.6
91.05466	29.6
93.07037	34.1
94.06528	1.5
95.04959	10.1
95.08597	55.0
96.08133	0.8
97.06518	5.3
97.10153	11.4
98.06075	1.2
98.98454	3.6
99.08097	13.4
105.04509	0.9
105.06336	1.6
105.07014	19.4
107.04961	2.2
107.08576	16.3
109.06486	3.2
109.10141	19.7
111.08056	3.8
111.11694	1.4
113.09617	3.4
117.07000	8.4
119.08569	13.7
121.06485	3.7
121.10122	8.2
123.08050	1.8
123.11700	7.0
124.99986	2.1
125.09629	1.8
126.12772	2.6
129.07016	4.4
131.08551	7.4
133.10124	11.5
135.08043	1.7
135.11649	7.9
137.09624	1.3
137.13235	1.6
139.11180	1.5
143.08553	3.5
144.09381	0.9
145.10112	6.1
147.11688	6.6
149.09506	1.0
149.13257	7.8
151.11159	14.5
151.14943	1.1
155.01003	3.6
157.10081	2.5
159.11717	5.1
161.13264	7.0
163.11163	12.4
163.14816	1.4
165.12755	2.2
170.23679	1.0
171.11668	3.1
175.11221	1.6
175.14793	1.9
177.12749	5.1
179.14320	7.4
184.07317	2.8
185.13251	2.3
195.13760	2.9
220.16934	13.6
224.10432	2.3
231.21101	1.3
233.15314	1.1
238.18007	8.1
239.23761	5.2
241.19514	5.0
246.78882	0.9
251.16394	2.6
259.20560	4.0
267.15909	1.7
269.17404	1.9
277.21579	11.3
282.27853	7.9
283.15112	1.2
285.16965	1.3
295.22711	1.6
302.24774	3.0
313.27310	33.5
314.27673	1.4
315.23090	2.4
318.14706	5.8
320.25742	7.2
333.24329	1.4
336.15790	1.2
338.26892	1.0
341.30374	1.2
349.23300	1.0
351.25266	6.6
361.15976	1.0
374.17371	3.0
392.18353	8.2
396.75119	1.0
431.21768	0.9
489.40024	1.2
493.38763	3.2
507.40417	96.8
508.40710	5.9
523.40161	1.1
532.43298	2.1
551.42358	1.4
571.47058	19.0
579.92554	0.9
589.48199	100.0
590.48621	6.9
607.49268	19.5
630.41248	34.7
631.41656	2.1
632.51550	1.8
712.49091	7.3
730.49884	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	746.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
56.05026	0.6
57.03408	0.1
58.06615	0.4
59.07379	0.1
60.08155	6.0
67.05509	0.4
69.07066	0.1
70.06561	0.2
70.13115	0.2
70.13536	0.3
71.07361	2.9
72.67497	0.1
78.57513	0.1
79.05468	0.4
81.03422	0.1
81.07043	0.3
83.08599	0.1
86.09693	28.7
87.04457	0.2
87.10017	0.3
91.05506	0.2
93.07027	0.3
95.08599	0.2
98.98448	2.7
104.07076	0.1
104.10730	2.6
105.07016	0.2
107.08568	0.1
109.10172	0.1
116.99535	0.1
119.08571	0.2
120.41016	0.1
121.10190	0.1
124.99985	19.5
130.27766	0.1
131.08630	0.1
141.22560	0.1
143.01054	0.2
145.10120	0.1
147.11780	0.1
166.02675	0.2
184.07314	100.0
185.07645	0.9
233.99062	0.1
246.86037	0.1
272.93826	0.1
386.60519	0.1
518.32538	0.2
544.78107	0.1
710.43573	0.1
728.44861	12.1
729.45215	0.8
746.45142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05022	0.6
57.03418	0.2
57.21496	0.1
58.06616	0.4
59.07380	0.1
60.08155	6.1
67.05504	0.6
69.07057	0.2
71.07359	2.9
79.05490	0.4
79.05876	0.1
81.03411	0.2
81.07051	0.6
83.04951	0.1
83.08614	0.1
86.09693	28.7
87.10021	0.3
91.05478	0.4
93.07043	0.4
94.07341	0.1
95.04921	0.1
95.08598	0.4
97.06516	0.1
97.10164	0.2
98.21545	0.2
98.98450	2.6
104.10728	2.2
105.07021	0.3
107.04918	0.1
107.08592	0.2
108.08897	0.1
109.10158	0.3
118.25986	0.1
119.08549	0.2
121.10120	0.2
124.99985	18.7
131.08537	0.1
133.10123	0.1
135.11691	0.2
137.09621	0.1
137.12378	0.1
139.03951	0.1
143.01025	0.2
145.10136	0.1
154.13048	0.1
166.02637	0.1
184.07315	100.0
185.07674	1.2
189.11252	0.1
227.12737	0.2
239.16380	0.2
255.15970	0.2
256.16428	0.1
269.17624	0.1
276.20517	0.1
433.29520	0.2
468.23654	0.2
531.35901	0.3
594.58289	0.1
638.97516	0.1
710.45062	0.2
728.44873	11.1
729.44940	0.8
746.45776	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	746.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29816	0.1
52.75039	0.1
55.01855	0.1
55.05484	0.2
56.05024	0.6
57.03427	0.2
57.07041	0.1
58.06567	1.0
59.07347	0.6
60.08155	5.5
67.05494	0.7
69.07039	0.3
69.84373	0.6
70.06564	0.1
71.05003	0.1
71.06998	0.2
71.07363	2.3
73.02899	0.1
79.05467	0.4
80.97411	0.1
81.03403	0.2
81.07048	0.7
81.85517	0.1
83.08633	0.1
84.62311	0.1
86.09694	27.4
87.10019	0.2
91.05483	0.4
92.86090	0.1
93.07044	0.4
95.04939	0.2
95.08585	0.3
98.98454	2.2
102.85889	0.1
104.10732	1.8
105.07011	0.3
107.08578	0.2
108.24652	0.1
109.10146	0.2
109.24754	0.1
117.07030	0.1
119.08562	0.3
120.08904	0.1
121.10153	0.2
123.11657	0.1
124.99986	17.8
125.09602	0.1
126.00271	0.1
131.08595	0.1
133.10112	0.3
135.11676	0.2
143.01036	0.3
147.11658	0.1
148.42209	0.1
157.09889	0.1
159.11673	0.1
165.12686	0.1
166.02684	0.2
184.07320	100.0
185.07677	0.9
222.08891	0.5
224.10425	0.2
257.16275	0.1
271.15329	0.1
335.25772	0.2
354.13068	0.1
428.63867	0.1
450.22424	0.1
484.22742	0.2
502.32935	0.1
561.34515	0.3
645.43658	0.1
649.45441	0.1
746.45929	4.0
747.44470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.32264	0.5
55.01862	1.6
55.05499	1.9
57.03438	2.7
61.02917	5.5
67.05500	4.4
69.03415	2.7
69.07062	1.3
69.58337	4.8
71.04987	1.3
72.08114	0.5
73.02908	2.4
79.05486	3.5
81.03402	5.4
81.07051	4.0
83.04989	1.2
83.08613	1.5
85.02888	4.5
85.06561	0.5
86.09724	1.0
91.03947	3.9
91.05461	4.2
91.05892	0.4
91.29606	0.5
93.07034	2.6
95.04967	2.2
95.08612	1.9
97.02876	4.6
97.10131	0.5
98.20756	1.0
99.04469	0.6
101.02379	1.2
105.07040	2.1
107.05003	0.5
107.08587	2.1
109.02843	0.6
109.10161	2.1
111.04436	0.5
111.08064	0.8
113.05985	0.5
117.05508	0.8
119.08588	2.0
121.10157	2.2
123.04386	1.2
123.08067	0.5
123.11701	0.6
125.09686	0.6
127.03917	2.1
129.05521	1.1
131.08572	1.3
133.10127	1.7
135.11670	0.7
137.05995	1.0
137.09660	0.5
139.03896	1.6
145.04951	1.1
145.10110	0.7
147.04445	0.5
147.11700	1.5
149.09615	1.3
157.10210	1.0
163.03926	0.7
163.11124	0.9
175.11191	0.8
177.05380	0.5
181.04799	0.9
183.06543	0.5
184.07375	2.0
185.04225	2.8
193.12268	1.7
201.03729	1.0
201.15012	0.6
207.13622	1.2
211.13306	1.1
229.14528	0.9
243.08409	2.6
251.12547	0.9
265.14212	1.1
267.16016	1.7
283.15152	9.4
301.08905	12.7
309.16736	2.9
315.10461	3.6
323.18259	2.8
329.11981	0.7
339.17767	1.2
341.12375	0.8
343.13809	0.8
369.15359	1.0
373.10962	3.8
381.18777	5.6
383.16910	2.0
385.18295	6.5
387.12619	1.4
395.20392	1.3
399.19974	2.8
401.14365	0.6
415.15649	1.0
427.19382	6.6
429.17249	2.4
439.19547	0.9
441.21161	1.0
443.18948	1.2
448.27658	1.5
451.19962	0.7
457.20514	1.2
465.28027	2.8
469.20169	3.4
483.22083	1.4
485.20010	0.9
499.21249	3.8
501.23157	20.6
511.28864	1.8
516.21667	0.7
517.22449	1.0
529.22510	12.0
545.22021	0.7
573.25116	9.3
583.30902	0.9
587.26904	1.7
588.79126	0.6
601.28113	3.9
613.31659	2.4
615.29901	2.3
629.31464	1.5
641.31537	2.8
643.32898	4.9
673.34766	0.9
683.36621	0.8
685.34015	1.1
687.35748	0.9
699.35724	1.1
727.35583	2.4
745.35931	100.0
746.36859	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	744.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01866	1.1
55.05243	1.2
55.05503	15.0
57.03432	7.5
57.07063	3.0
59.04983	2.9
61.02916	3.6
65.03922	2.9
65.85912	0.8
67.05496	93.7
69.03407	2.6
69.07059	17.3
69.63935	7.3
71.04983	20.7
71.08611	1.5
77.19258	0.7
79.05486	35.7
80.92703	0.7
81.03407	2.8
81.07047	44.9
83.04970	4.9
83.08612	8.4
85.02911	3.9
85.06520	4.6
86.09710	1.8
91.05469	24.9
93.07034	43.5
94.00095	0.8
95.04951	4.4
95.08595	34.6
97.02879	1.8
97.06509	5.2
97.10163	3.2
98.20705	1.6
99.08067	1.3
105.07016	13.1
107.08579	21.2
109.06510	2.1
109.10143	66.3
111.08049	4.0
111.11710	1.0
117.07003	5.6
119.08565	18.9
121.06525	1.1
121.10128	18.3
123.08050	1.4
123.11692	3.3
125.00029	1.8
125.09590	1.5
129.06970	1.4
131.08554	7.0
133.10127	10.6
135.08067	0.8
135.11681	15.6
137.09586	9.9
139.11136	1.2
143.08568	1.0
145.10135	7.4
147.11679	5.2
149.13225	5.3
155.10654	3.1
157.10094	1.9
159.11673	4.1
160.08557	1.0
161.13226	3.9
163.11195	2.8
163.14774	1.4
165.12720	1.2
169.12260	1.0
171.11642	1.2
173.11749	9.4
173.13272	2.2
181.12247	2.0
184.07347	5.6
187.14763	2.0
188.90211	1.0
193.12222	1.6
199.14970	0.8
211.13275	1.4
227.12689	1.5
229.14363	1.3
243.15881	1.7
255.15764	4.9
261.22165	3.1
275.20029	1.1
285.16925	1.3
287.18509	18.8
309.20868	0.8
315.66074	1.0
325.23969	1.5
333.24106	1.3
335.25751	27.4
343.24829	2.8
349.23724	1.7
379.30176	1.2
397.30829	1.1
423.32816	1.0
465.35431	0.8
471.34637	2.8
489.35724	100.0
490.36008	4.2
497.36218	1.2
503.37457	2.5
515.37268	13.5
529.38721	1.1
533.38293	1.1
547.39899	94.0
548.40448	4.0
691.46045	1.4
709.48242	3.4
751.50964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01866	5.4
55.05503	18.6
55.95197	0.6
57.03161	1.0
57.03431	18.0
57.07063	1.8
60.08152	3.0
61.02908	2.7
63.45463	0.5
65.03914	2.4
67.05495	61.9
69.03413	5.2
69.07059	27.6
71.01348	3.6
71.04984	6.2
71.05322	1.0
71.07352	1.7
73.02908	1.7
76.42792	0.6
79.05482	52.0
81.03410	10.7
81.07044	51.5
82.37406	0.7
83.04501	1.1
83.04972	14.8
83.08604	9.4
84.05585	0.5
85.02892	3.7
85.06532	4.3
86.09697	15.9
91.05466	33.5
92.05817	0.7
93.07032	63.0
94.07363	1.2
95.04952	8.9
95.08594	20.4
97.02887	3.4
97.06516	21.7
97.10155	11.7
98.98405	1.0
99.04475	1.5
99.08061	3.2
104.10727	1.5
105.07014	21.3
107.04951	6.3
107.08578	42.1
108.08974	0.7
109.02847	1.1
109.06519	5.0
109.10142	8.5
111.08090	4.3
111.11687	0.7
115.05434	1.1
117.06995	14.8
119.08558	17.7
121.06511	4.5
121.10131	13.6
123.08073	2.9
123.11687	2.5
124.99983	10.6
125.09624	4.1
127.03894	2.8
129.05489	1.1
129.06992	3.1
130.07799	1.0
131.08549	11.5
133.06485	1.5
133.09299	0.4
133.10104	15.8
135.08089	4.6
135.11673	53.4
136.12033	1.1
137.09608	3.1
137.93359	0.6
139.07585	1.1
139.11197	1.0
141.06938	0.9
143.08534	3.8
145.06480	0.7
145.10107	17.4
147.08041	1.3
147.11655	6.2
149.09596	10.8
149.13246	6.5
151.11163	1.9
153.12727	1.9
155.08566	1.6
157.10049	3.1
159.11697	9.0
161.13254	1.6
163.11151	12.1
169.10092	2.0
171.11665	2.7
173.04408	1.7
173.09589	1.1
173.13263	4.1
175.11209	1.4
177.12735	3.0
179.14252	1.8
181.12228	9.0
183.11707	2.1
184.07318	52.2
185.13237	0.8
187.11168	1.7
187.14835	0.8
189.11192	1.4
189.12849	0.7
195.13736	3.1
197.13266	1.3
199.13292	2.4
201.12712	0.8
205.12178	0.7
205.15851	0.7
213.14787	1.2
217.15900	0.8
227.12770	3.4
229.19505	1.8
235.16968	0.8
237.14680	1.3
239.17957	2.7
247.20644	1.1
253.14474	0.8
255.15887	79.6
256.16214	1.4
257.18982	8.6
267.15921	1.8
269.17429	11.2
275.20013	22.0
293.21109	1.4
331.22711	2.2
339.18024	0.6
349.23654	16.3
351.21707	1.6
367.24777	1.7
382.56549	0.6
409.25800	2.3
413.21616	1.5
425.25238	2.8
431.27911	1.7
433.29526	1.9
435.27341	27.3
436.07700	0.7
437.30173	0.7
449.28928	100.0
450.29376	4.1
461.67267	0.6
465.28418	0.9
473.29056	1.0
489.31924	2.7
501.35959	1.1
511.34070	1.7
529.35223	37.4
530.35510	1.3
547.36298	7.5
569.29565	0.8
579.31342	0.9
593.32727	2.6
726.43469	1.3
744.44171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
53.67570	0.1
55.01866	0.1
55.05497	0.4
56.05037	0.7
57.03444	0.5
58.06618	0.3
60.08155	6.4
61.02914	0.2
62.20302	0.1
67.05496	1.5
69.03401	0.2
69.07064	0.5
69.08022	0.1
70.06580	0.1
71.01327	0.1
71.04981	0.1
71.07361	3.0
71.80347	0.2
71.80717	0.1
79.05483	1.2
81.03404	0.3
81.07042	1.2
81.07479	0.2
83.04955	0.3
83.08630	0.2
85.02870	0.2
85.06522	0.2
86.09693	31.8
87.10033	0.4
90.99872	0.1
91.05470	0.9
93.07034	1.5
95.04947	0.4
95.08591	0.6
97.02901	0.1
97.06522	0.3
97.10143	0.4
98.98448	2.9
99.08034	0.1
104.10727	3.1
105.07007	0.6
107.04947	0.3
107.08584	1.1
109.06531	0.2
109.10147	0.3
111.08082	0.2
117.06994	0.3
119.08554	0.5
121.10115	0.5
121.83318	0.1
124.99984	20.9
125.09644	0.1
126.00415	0.2
129.06950	0.2
130.14906	0.1
131.08563	0.3
133.10057	0.4
135.08040	0.1
135.11687	1.1
143.01025	0.2
145.10101	0.4
147.11716	0.2
159.11699	0.3
159.32378	0.1
159.38817	0.1
163.11201	0.2
166.02670	0.1
171.11621	0.1
181.12299	0.1
184.07317	100.0
185.07683	1.5
191.10529	0.1
192.37677	0.1
230.90936	0.1
238.69498	0.1
239.17886	0.1
255.15886	1.3
257.18674	0.1
269.17548	0.3
275.19989	0.5
293.21252	0.1
349.23819	0.3
400.75748	0.1
435.27612	0.5
449.28882	1.4
450.22446	0.1
529.35229	0.7
547.36609	0.2
561.37842	0.1
614.52283	0.1
721.48828	0.1
726.43115	0.2
744.44342	10.0
745.44977	1.0
753.64453	0.1
774.14178	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	744.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
55.78846	0.1
56.05029	0.6
57.03429	0.2
58.06610	0.4
59.07368	0.1
60.08155	6.3
67.05502	0.9
69.03418	0.1
69.07049	0.2
70.06568	0.1
71.07362	3.3
79.05484	0.8
81.03397	0.2
81.07037	0.7
83.04944	0.2
83.08629	0.1
85.02897	0.1
86.09692	31.9
87.10012	0.4
91.05471	0.7
93.07027	0.8
93.63567	0.1
95.04977	0.2
95.08586	0.3
97.06508	0.2
97.10154	0.1
98.20654	0.2
98.98448	2.9
104.10727	3.2
105.07016	0.4
107.04934	0.1
107.08553	0.5
109.02862	0.1
109.06477	0.1
109.10139	0.3
116.99502	0.1
117.07033	0.1
119.08575	0.4
121.10159	0.2
123.07983	0.1
124.99983	20.5
126.00320	0.1
129.06964	0.2
131.08537	0.1
133.10066	0.5
135.11693	0.5
143.01068	0.3
145.10133	0.2
147.11665	0.1
159.11749	0.1
163.11238	0.2
166.02652	0.2
179.14319	0.1
181.12154	0.1
184.07315	100.0
185.07660	1.4
213.41713	0.1
227.12584	0.1
255.15903	0.7
275.20032	0.3
290.07236	0.1
349.23459	0.1
449.28949	0.4
450.22772	0.1
529.35016	0.6
534.31989	0.2
547.36322	0.3
726.43188	0.2
744.44336	9.8
745.44843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01856	2.2
55.05502	13.3
57.03165	1.0
57.03432	9.6
57.07061	2.2
59.04976	0.5
60.08172	0.9
61.02913	2.6
65.03922	1.6
67.05493	35.8
68.05838	0.7
69.03424	2.9
69.07054	11.5
70.41843	0.6
71.04975	3.6
71.24437	1.1
79.05482	28.8
80.05798	0.6
80.39450	0.6
81.03406	31.6
81.07043	40.6
82.07372	0.7
83.04963	10.5
83.08606	15.4
84.08942	0.7
85.02894	13.1
85.06522	1.5
86.09690	5.9
91.03938	0.7
91.05464	24.8
93.07030	28.1
94.07359	1.1
95.04340	0.7
95.04954	17.2
95.08592	26.1
96.08923	0.8
97.02843	3.0
97.06512	3.4
97.10143	3.4
99.08079	1.1
101.06011	0.7
105.07016	18.1
107.04949	3.7
107.08578	15.4
109.06492	3.0
109.10127	9.4
111.04449	1.5
111.08063	6.4
113.05985	1.1
115.05499	1.0
117.06989	3.3
119.08562	16.1
120.08934	0.7
121.10126	15.4
123.08059	3.0
123.11681	4.1
125.00008	2.9
125.09639	1.5
127.07536	0.6
129.06987	6.1
131.08542	9.4
133.06470	2.5
133.10107	11.5
135.08049	1.3
135.11684	7.8
137.09581	1.4
137.13263	0.9
142.07825	1.1
145.10129	4.2
146.10434	1.1
147.08040	2.2
147.11674	12.8
149.09589	3.6
149.13232	3.5
151.11156	1.7
157.10100	7.8
159.11708	2.5
161.13274	2.0
163.11180	1.5
163.14824	1.4
165.12718	2.8
173.13243	2.8
175.11162	9.4
177.12709	0.6
177.16432	0.6
184.07309	17.1
187.14839	1.7
189.11270	0.7
193.12216	25.4
209.23114	0.6
211.13266	36.0
212.13539	0.7
227.12790	1.4
243.21051	2.1
261.22186	6.5
267.15878	16.1
283.15402	1.4
284.15717	1.6
285.16922	42.5
286.17233	1.4
299.23572	0.7
317.24591	1.2
330.98901	0.7
335.25754	49.3
336.26236	3.7
337.26361	1.1
402.67178	0.6
417.31308	0.7
435.32520	1.2
453.33768	2.0
471.34720	1.4
509.35971	0.7
527.37244	10.6
528.37433	1.1
545.38269	100.0
546.38733	8.6
563.39142	1.1
609.65826	0.7
742.46405	1.1
755.29498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01858	2.9
55.05502	19.9
57.03156	1.1
57.03428	17.0
57.07054	1.1
59.04975	0.8
61.02917	4.8
62.22125	0.7
65.03923	2.7
67.05492	51.1
69.03412	3.8
69.07059	13.0
70.99537	2.0
71.04974	5.6
71.68517	0.7
73.02905	1.4
74.13959	0.8
79.05479	39.9
81.03404	58.3
81.07042	54.7
82.03732	0.8
82.07411	1.3
83.04965	16.6
83.08604	26.0
85.02888	22.5
85.06522	2.5
91.03947	2.1
91.05464	38.5
93.07029	40.6
94.07347	0.8
95.04952	25.2
95.08589	30.9
97.02878	5.4
97.06519	4.1
97.10147	4.2
99.08075	1.6
103.05466	0.9
105.07011	25.3
107.04927	7.1
107.08577	19.3
109.06493	4.4
109.10133	13.6
111.04429	1.9
111.08067	9.6
113.05978	2.0
115.05444	1.5
117.07014	3.9
119.08563	24.0
121.06490	2.0
121.10126	20.3
123.08046	3.6
123.11699	4.3
125.09594	1.3
128.06140	0.7
129.06969	9.7
131.08539	15.4
133.06487	2.1
133.10106	14.8
134.10403	0.9
135.11655	8.0
137.09590	2.2
137.13258	1.4
142.07794	2.2
145.10060	4.6
147.08020	2.5
147.11664	16.0
147.12828	1.0
149.09596	5.6
149.13229	3.3
157.10089	12.9
159.11661	4.3
161.13261	2.8
163.11183	1.5
163.14819	2.2
165.12782	2.7
173.13219	3.8
175.11179	13.1
175.14835	1.4
177.16380	1.2
187.14761	1.7
193.12209	44.3
194.12592	1.3
211.13258	74.2
212.13696	2.7
227.12761	1.0
243.21071	3.8
261.22119	10.3
267.15848	16.2
268.16312	1.1
285.16916	87.6
286.17300	5.0
301.25113	0.9
317.24615	2.6
335.25745	75.4
336.26083	4.0
435.32666	2.7
443.68378	0.8
453.33655	2.0
471.34445	1.8
527.37329	13.1
545.38300	100.0
546.38757	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01865	2.8
55.05501	16.7
56.05828	0.4
57.03429	13.1
57.03694	0.6
57.07031	1.9
59.04961	0.5
61.02916	4.6
65.03931	2.2
67.05493	49.8
67.06017	1.4
68.05779	0.5
69.03418	4.1
69.07055	13.6
69.88524	1.5
69.88938	1.1
71.01306	0.6
71.04982	4.8
73.02862	1.4
79.05479	38.2
79.06150	1.0
80.05795	0.5
81.03404	44.4
81.07043	54.8
82.03714	0.5
82.07355	0.4
83.04970	10.0
83.08609	20.3
85.02891	19.1
85.06537	2.3
86.09642	1.5
91.03896	1.6
91.05466	36.5
92.05759	0.5
93.07028	43.1
94.07322	0.8
95.04957	21.2
95.08590	37.3
97.02867	4.2
97.06517	4.2
97.10159	4.0
98.21354	0.8
99.08083	2.1
103.05414	0.7
105.04424	0.5
105.07016	23.4
107.04939	5.2
107.08574	21.5
109.06511	4.7
109.10137	15.3
111.04382	1.6
111.08064	9.1
113.05941	1.8
115.05374	1.6
116.06195	0.5
117.06985	4.6
119.04874	0.5
119.08562	22.8
120.08907	0.5
121.06464	1.0
121.10124	20.3
123.08060	2.7
123.11673	5.2
124.99975	0.7
125.09567	1.9
127.03803	0.5
128.06192	1.1
129.06117	0.7
129.06987	9.2
131.08543	13.4
133.06442	1.9
133.10103	14.7
135.11664	8.5
137.09593	2.2
137.13188	1.4
142.07729	2.1
143.08505	0.9
145.10092	6.2
147.08110	2.0
147.11664	13.9
149.09621	5.0
149.12334	0.5
149.13252	5.3
151.11115	0.6
157.10100	9.4
159.11656	4.4
161.13229	2.8
163.11139	0.9
163.14722	1.4
163.51595	0.5
165.12729	3.2
169.10031	0.6
171.11604	0.7
173.13258	3.0
175.11163	10.8
175.14764	0.9
177.16328	0.8
183.11690	0.6
184.07318	4.1
185.07561	0.6
187.14755	1.9
189.11131	0.8
193.12212	32.3
194.12447	0.8
201.16177	0.6
209.13013	0.4
211.13255	42.5
212.13612	0.7
223.08821	0.4
227.12680	1.0
243.21008	3.3
249.14632	0.5
257.18732	0.5
259.20798	0.5
261.22095	8.9
267.15869	13.0
279.23041	0.5
285.16922	54.4
286.17154	0.7
289.06790	0.5
299.23624	0.6
301.25162	0.6
316.76306	0.5
317.24658	2.7
335.25745	87.6
336.26013	2.5
435.32520	1.3
453.33682	1.0
471.34683	1.0
509.36496	0.7
527.37250	14.0
528.37683	0.9
545.38306	100.0
546.38678	5.9
563.39502	0.6
622.91351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	2.5
55.01871	4.0
55.05511	11.3
55.87008	0.5
57.03432	7.9
67.05499	16.1
69.03423	3.7
69.07056	5.5
70.87191	1.7
71.04987	4.7
73.02940	1.0
79.05489	18.0
81.03410	40.2
81.07053	16.9
82.03806	0.9
83.04968	6.0
83.08613	13.3
85.02956	2.2
85.06594	1.5
91.05471	13.5
93.07033	15.4
95.04960	18.0
95.08598	8.1
97.02930	2.3
97.06503	3.7
97.10156	13.1
99.08157	0.8
105.07028	11.3
107.04948	14.2
107.08583	12.0
109.06505	12.8
109.10142	5.9
111.04490	1.7
111.08068	4.8
113.06093	0.6
115.05458	1.2
117.07025	4.4
119.04958	1.2
119.08571	10.9
121.06506	11.1
121.07287	0.8
121.10130	10.7
123.04488	1.1
123.08060	4.4
123.11810	1.0
125.05998	0.6
125.09626	13.8
127.03981	0.7
129.06987	7.6
131.04985	1.0
131.08551	10.9
133.06487	3.9
133.10124	4.6
135.04462	0.8
135.08031	6.0
135.11763	1.6
137.06029	1.1
137.09662	1.3
139.11246	2.4
141.06999	1.3
142.07808	0.9
143.08652	1.8
143.10764	0.6
143.13210	0.6
144.35294	0.5
145.06476	4.8
145.10117	5.7
147.04486	1.0
147.08035	4.2
147.11691	5.9
149.06038	1.2
149.09631	5.3
153.09213	2.1
153.12762	0.8
155.08636	1.7
157.06540	1.3
157.08850	0.9
157.10101	6.6
159.08099	1.7
159.11778	1.6
161.06082	0.9
161.09668	1.6
163.11150	4.2
165.12839	1.5
167.08627	0.6
167.10782	1.8
169.10152	1.1
171.08093	1.4
171.10356	0.6
171.11742	1.5
173.09698	0.8
173.11925	1.2
173.13380	1.9
175.11182	5.0
177.12851	0.9
181.10086	0.8
181.12274	0.6
183.08174	0.9
183.11845	0.6
184.07414	1.6
185.09654	0.9
185.11855	0.7
185.13335	0.8
187.11269	1.5
187.14909	0.8
189.11308	6.3
189.12802	1.7
191.10820	0.9
191.14291	2.7
193.12218	13.8
195.08066	0.7
195.11763	1.2
197.13364	1.2
199.11299	2.1
199.13307	0.8
201.12828	1.5
203.14449	0.7
205.12318	1.6
209.13356	0.7
211.11383	1.2
211.13385	2.9
213.12843	1.7
215.14442	2.2
217.12360	0.9
219.13785	8.3
223.11348	0.7
225.12813	0.9
227.12849	2.3
231.13768	0.9
233.15318	3.9
235.13280	1.4
237.12769	0.8
237.14949	1.6
239.14401	0.8
243.13924	0.6
249.14885	1.4
255.13885	1.2
257.15417	0.8
259.13177	1.3
259.15469	6.8
267.15894	39.5
268.16425	1.6
273.14670	4.5
281.42773	0.5
285.17020	1.4
287.16379	0.7
289.18161	0.7
293.17526	5.6
299.16245	0.6
301.16452	1.6
317.16135	0.8
331.20618	0.8
339.23267	2.4
349.21600	4.1
357.24356	1.8
367.22629	13.0
368.22842	1.2
385.23685	18.4
386.24139	0.9
403.24805	6.7
405.24182	0.9
433.25555	1.9
441.26263	7.8
442.26566	0.7
451.26917	6.4
457.79529	0.7
459.27393	97.2
460.27731	7.7
477.28439	100.0
478.28793	5.5
491.30136	8.7
492.30017	0.7
495.29395	9.2
496.29730	1.1
501.28439	1.8
509.31577	3.8
527.28302	0.7
531.29999	0.8
567.29321	1.8
570.13159	0.6
597.40466	0.7
713.16614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06374	0.1
54.51477	0.1
55.01857	0.4
55.05290	0.1
55.05504	1.3
55.35745	0.1
56.05012	0.5
57.03423	0.8
58.06593	0.4
59.07374	0.2
60.08154	6.4
61.02894	0.3
64.34245	0.1
65.03922	0.2
67.05493	2.8
68.05792	0.2
69.03408	0.4
69.07057	0.8
70.06561	0.2
71.01323	0.1
71.03724	0.2
71.04035	0.1
71.04973	0.3
71.07361	3.0
73.02891	0.2
79.05482	2.2
80.05827	0.1
81.02950	0.2
81.03403	3.6
81.07043	2.3
83.04965	1.0
83.08611	1.2
85.02897	0.7
85.06518	0.2
86.09689	28.1
87.10033	0.4
91.05463	2.9
93.07030	1.8
95.04956	1.8
95.08594	1.3
97.02882	0.5
97.06507	0.5
97.10147	0.7
98.98450	2.5
99.04466	0.2
104.10717	1.9
105.07008	2.1
107.04937	0.8
107.08586	1.3
109.02847	0.2
109.06496	0.6
109.10154	1.0
111.04425	0.6
111.08061	0.6
115.05482	0.2
117.06986	0.5
118.96547	0.1
119.08546	1.4
121.06465	0.4
121.10128	1.1
122.35432	0.1
123.04382	0.3
123.08066	0.3
123.11702	0.2
124.99982	18.6
125.09612	0.5
127.03918	0.2
129.05475	0.4
129.06975	0.9
131.08545	1.1
133.06480	0.3
133.10114	1.2
135.08008	0.4
135.11708	0.7
137.06017	0.2
137.09576	0.3
142.07835	0.2
143.01067	0.2
145.06482	0.4
145.10080	0.6
147.04422	0.2
147.08014	0.4
147.11661	0.8
149.09596	0.6
151.03889	0.1
151.11142	0.3
153.12735	0.2
155.08591	0.1
157.08829	0.2
157.10091	0.8
163.03899	0.2
163.11142	0.7
164.11501	0.2
164.33928	0.1
165.12817	0.2
167.07080	0.3
171.11627	0.2
173.09645	0.3
175.11156	0.6
181.12247	0.3
184.07307	100.0
185.07672	1.5
189.11139	0.2
191.07054	0.2
191.10634	0.3
191.43932	0.1
193.12244	1.3
197.91714	0.1
199.13194	0.3
209.11693	0.8
211.13310	0.7
227.12773	0.5
229.14246	0.3
241.14261	0.2
265.14471	0.2
267.15872	2.5
268.16159	0.3
271.97052	0.1
283.15317	1.0
285.17004	1.0
301.16553	1.1
367.22751	0.3
385.23648	0.8
403.24539	0.1
437.25470	0.2
439.60983	0.1
459.27328	5.9
460.27811	0.6
475.26874	0.2
476.26828	0.2
477.28326	3.4
478.28967	0.5
494.28262	0.2
495.28836	0.4
509.27673	0.4
527.28174	0.6
585.29919	0.2
603.31018	0.2
621.32220	0.2
642.33905	18.0
643.34180	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1795
Annotation	Cinchonanin IIa
Peak:m/z	Relative Intensity
53.03929	1.0
55.01866	1.7
56.37635	0.5
62.01052	0.5
65.03932	0.9
67.01859	0.8
67.05500	1.0
68.99782	13.6
69.03427	1.1
71.80917	1.1
77.03921	0.8
77.57416	0.5
79.05473	1.4
81.03400	1.8
83.04968	0.7
85.02870	1.3
89.03905	2.5
91.05457	0.8
93.03383	0.6
95.01308	0.9
95.04939	2.7
105.03381	1.0
107.04954	4.9
109.02859	2.4
111.00802	0.9
111.04428	17.1
117.03313	2.5
119.04910	1.8
123.04413	49.3
124.04695	0.7
125.06017	1.2
127.03893	4.2
131.04919	1.7
135.04396	49.9
137.02325	53.0
137.05923	0.9
138.02690	0.6
139.03871	17.9
139.05464	0.7
143.04913	1.3
145.02818	3.2
145.06471	0.8
147.04385	6.6
149.02269	0.6
149.05949	1.3
151.03883	6.1
153.01817	6.9
153.05455	9.1
155.03395	1.0
155.04837	1.2
159.04401	4.7
161.02298	0.7
161.05959	4.9
163.03882	81.7
164.04250	1.6
165.01833	0.6
165.05449	2.2
167.03386	0.6
171.02898	7.2
171.04277	0.8
173.02231	0.7
173.05927	4.6
175.03867	4.6
177.05446	2.7
179.03372	100.0
180.03735	1.3
181.05008	0.8
181.06424	0.8
183.04372	1.5
185.05959	1.5
187.03870	10.7
189.01843	0.6
189.05431	2.1
191.03362	4.6
193.04941	1.2
197.05931	2.0
199.03813	0.9
201.05457	7.3
203.03357	6.2
203.06963	1.0
204.33075	0.5
205.04910	4.2
207.02861	1.7
207.06508	0.7
211.03879	2.2
211.07382	0.6
213.05394	2.1
215.03380	3.6
215.06982	0.9
217.04976	1.7
219.02820	1.0
221.04373	0.7
225.05429	1.7
227.03365	1.5
227.06897	1.0
229.04912	8.9
231.02934	1.1
231.06451	0.7
239.06932	1.2
241.04915	2.3
243.02812	1.1
243.06468	1.2
245.04437	1.5
247.05968	32.7
251.07048	0.9
253.04854	1.8
255.02731	1.2
255.06511	2.8
257.04391	2.8
259.06024	3.8
261.09216	0.7
265.04895	0.8
267.06351	0.7
269.04462	4.0
271.05713	4.2
273.03751	1.0
273.07574	0.9
275.07034	1.0
277.04840	0.9
279.06418	0.6
281.04306	2.2
283.02734	0.8
283.05881	6.4
285.03873	2.9
285.07047	0.9
287.05334	2.8
289.07019	85.5
290.07269	2.5
293.07968	2.0
295.05811	2.4
297.03854	5.4
297.07504	3.6
299.05200	3.1
301.06931	7.1
303.05878	0.6
305.04401	0.6
309.03864	2.4
311.05450	1.5
313.03403	1.3
313.07025	3.6
315.04895	5.2
315.08612	2.1
317.08081	1.4
321.03998	1.1
321.07462	2.1
323.05490	5.8
325.07132	0.9
327.04947	2.4
329.06525	1.8
331.05869	0.8
333.06039	2.6
335.09012	2.6
337.06970	0.5
339.04956	7.5
341.06512	11.5
345.07495	1.8
349.07089	1.4
351.04865	2.3
353.06702	0.8
355.52121	0.5
357.04105	0.6
363.04846	0.6
363.08643	4.8
367.07880	1.5
373.06931	1.5
377.06384	2.2
391.08127	10.4
407.07553	1.7
409.09122	14.0
411.10629	1.8
415.08029	1.3
419.07483	2.3
419.12411	0.6
433.09134	22.0
434.09433	0.9
435.11075	1.2
437.08688	8.1
437.60367	0.6
449.08456	4.1
451.10181	46.7
452.10339	2.1
453.11923	0.9
461.08594	5.4
473.08649	0.7
491.09467	0.6
529.11536	2.4
571.12360	18.2
583.11902	1.8
589.13086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.3
55.01833	1.8
55.05503	9.1
56.04601	0.4
57.03431	7.5
57.07038	1.0
57.39727	0.4
61.02880	0.9
65.03890	1.3
67.05495	31.5
68.05810	0.6
69.03410	0.9
69.07058	8.7
71.04934	1.7
71.07304	0.5
71.19261	1.2
71.94445	0.4
73.02863	0.6
75.61534	0.4
77.03865	0.4
79.05480	24.4
81.03379	0.8
81.07043	33.2
83.04967	2.2
83.08614	6.2
85.02868	0.8
85.06492	1.1
86.09657	1.9
90.07027	0.5
91.05466	11.5
92.05745	0.5
93.07031	38.0
95.04946	5.6
95.08590	38.7
95.99132	0.4
97.02858	2.4
97.06499	2.9
97.10101	1.7
99.04456	2.3
99.08060	0.6
105.04473	0.5
105.07013	8.0
107.04943	4.6
107.08578	24.4
109.06506	2.1
109.10143	9.7
111.04365	0.9
111.08025	1.1
112.38422	0.5
113.09543	0.5
117.06984	6.1
119.08565	9.7
120.92319	0.5
121.06489	4.3
121.09309	0.9
121.10119	16.7
123.08057	0.7
123.11672	2.3
124.99905	1.3
125.05918	1.4
129.06921	0.4
130.03107	0.4
130.07729	1.3
131.08545	4.6
133.10104	4.2
135.07997	1.1
135.11674	32.3
136.11954	0.8
137.09612	0.8
137.13220	0.7
139.07483	1.5
143.08498	0.7
144.69119	0.4
145.10101	19.7
147.11655	2.1
149.13278	2.7
153.12823	0.5
155.08493	0.5
159.11626	1.5
161.13184	1.7
163.11156	37.3
163.14783	1.3
164.11511	0.9
173.09534	0.7
173.13194	1.6
175.14719	0.6
177.16371	0.6
181.12204	7.0
184.07321	6.0
187.14809	0.5
209.11761	0.6
227.12747	40.5
228.12988	1.0
241.35538	0.5
243.20987	1.5
247.44214	0.4
261.22107	6.4
283.15359	48.2
284.15659	1.7
317.24966	2.0
322.54083	0.4
335.25748	100.0
336.26074	3.6
515.64044	0.5
543.36743	83.2
544.37091	4.4
631.21033	0.5
650.44501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	7.1
55.05502	21.3
56.04755	0.5
57.03428	16.1
57.07062	2.7
59.04986	2.6
61.02917	6.8
65.03899	2.1
67.05492	53.1
67.06004	1.6
68.05769	0.5
69.03381	2.2
69.07056	12.9
70.99587	1.8
71.01308	0.7
71.04981	4.4
71.08597	1.1
73.02906	2.5
77.03882	0.9
79.05479	43.8
81.03407	13.3
81.07040	59.5
82.07343	0.6
83.01328	9.0
83.04522	0.7
83.04967	10.1
83.08604	14.8
85.02888	10.9
85.06492	1.8
91.03944	3.2
91.05463	27.1
93.07027	56.0
95.04412	0.7
95.04958	9.8
95.08589	39.5
97.02878	5.5
97.06521	6.0
97.10152	5.4
99.04424	3.3
99.08071	1.1
103.05416	0.7
105.04486	1.3
105.07012	19.8
107.04360	0.6
107.04945	6.9
107.08572	32.1
108.08834	0.5
109.06514	7.4
109.09398	0.9
109.10132	16.5
111.04420	3.1
111.08091	2.7
111.11683	0.5
115.03879	0.5
115.05379	1.2
117.07001	11.8
118.83042	0.6
119.07751	1.0
119.08559	19.4
121.06500	3.6
121.10122	23.5
123.04394	0.6
123.07265	0.6
123.08053	8.5
123.11670	4.9
123.61413	0.5
125.05909	1.8
125.09596	4.0
127.03852	1.2
129.06984	2.4
130.07722	2.0
131.04907	0.7
131.08545	13.6
133.10104	9.0
135.08038	2.6
135.11665	22.1
137.09549	2.1
137.13188	0.9
139.07523	0.5
139.11107	0.6
143.08502	2.2
145.06436	1.2
145.10095	19.8
147.08011	2.1
147.10747	0.6
147.11665	6.8
149.09601	1.1
149.13228	7.4
151.11084	0.5
153.12733	3.5
155.08498	1.6
157.10049	1.5
159.11690	6.5
161.13217	4.6
163.11160	22.4
163.14790	3.1
165.12737	0.6
165.58882	0.5
171.11577	1.2
173.09584	3.0
173.13251	5.3
175.14738	1.9
177.12746	0.8
177.16313	1.1
181.12219	3.8
183.11685	0.8
184.07262	1.2
185.13257	0.8
187.14774	3.1
189.11128	2.3
191.10654	2.8
193.12158	1.4
197.13211	0.7
199.14792	1.1
201.16359	1.2
202.20526	0.6
209.09908	0.6
209.11696	6.6
209.13489	1.0
211.13264	1.2
227.12749	8.1
243.20988	5.8
257.18921	0.8
259.20471	1.5
261.22083	19.4
265.14352	0.5
267.15802	1.8
277.21521	0.8
279.23358	0.8
283.15356	92.1
284.15662	2.1
285.16779	0.8
293.88791	0.7
297.22018	0.6
299.23636	3.8
314.76083	0.6
317.24686	5.9
333.24097	2.0
335.25735	100.0
336.26059	3.6
355.26303	0.6
433.10916	0.5
433.31000	2.4
451.32047	3.0
469.33002	1.8
473.28574	0.6
487.34543	1.4
507.34668	0.7
515.37756	0.7
517.34973	0.9
525.35852	4.1
543.36725	75.7
544.37042	4.4
561.37573	4.4
599.50323	1.4
727.98511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01860	1.5
55.05503	5.4
56.79591	0.3
57.03207	0.3
57.03429	3.8
57.07066	0.6
59.04967	0.4
61.02915	0.7
65.03933	0.8
67.05496	17.7
68.05840	0.4
69.03429	1.9
69.07065	2.5
70.90403	0.9
71.04984	8.1
79.05484	10.3
81.03409	15.5
81.07045	25.1
83.04965	2.1
83.08611	6.2
85.02899	0.7
85.06535	2.4
86.09700	0.4
91.05472	10.8
93.07033	8.3
95.04959	10.3
95.08592	5.5
96.05334	0.3
97.02874	1.2
97.06516	3.1
97.10155	3.0
99.08105	0.6
99.16480	0.3
101.06092	0.3
103.13753	0.3
105.07014	8.5
107.04943	6.0
107.08579	6.4
109.06507	5.3
109.10138	4.1
111.04449	0.7
111.08060	2.5
115.05395	0.4
117.07018	2.6
119.04912	0.4
119.08570	5.6
120.36494	0.3
121.06490	5.1
121.10138	3.8
123.04385	0.3
123.08081	1.9
123.11683	3.9
125.06013	0.3
125.09622	2.6
129.05551	0.4
129.07002	3.0
131.04903	0.8
131.08560	5.9
133.06482	1.1
133.10110	7.8
135.04411	0.4
135.08052	2.3
135.11664	1.8
137.09579	1.1
141.06955	0.8
142.07715	0.7
143.08566	1.4
145.06474	1.8
145.10104	2.9
147.08078	1.8
147.11659	2.8
149.09592	2.6
149.13242	1.5
151.11147	2.6
153.09093	0.3
153.12709	0.6
155.08572	1.0
157.06506	0.7
157.10103	3.1
159.08026	0.7
159.11673	2.2
161.09619	0.9
161.13206	0.8
163.11176	1.7
164.19707	0.3
165.12779	0.5
167.08528	0.6
169.10136	0.9
169.12244	0.4
171.07974	0.5
171.10326	0.4
171.11591	1.4
173.09607	0.6
173.11877	0.4
173.13181	1.8
173.84219	0.3
175.11151	2.8
177.12750	1.0
181.10083	0.6
183.08058	0.3
183.11681	1.0
183.13797	0.7
184.07295	0.8
185.09601	0.3
185.13246	0.6
187.11197	0.5
187.13295	1.3
189.09178	0.6
189.11226	1.3
189.12729	0.5
191.14334	1.6
193.12209	4.3
195.11629	0.3
197.09654	0.3
197.13345	0.4
199.11162	0.5
199.14813	0.4
201.12750	0.8
201.16484	0.4
203.10712	0.4
203.14284	0.6
205.12144	1.4
207.13733	0.4
207.66908	0.3
209.13332	0.5
211.11334	0.3
211.13225	0.7
213.12688	0.5
213.14674	0.3
215.14391	0.4
217.12242	0.5
217.15895	1.0
219.13783	2.8
220.14188	0.4
221.13477	0.3
221.15425	0.6
223.13292	0.7
227.12660	0.6
229.15994	0.4
231.13824	0.5
233.15292	0.6
239.14352	0.4
243.15939	0.4
245.15300	0.5
249.14861	0.8
257.17462	0.5
259.16986	0.5
267.15894	8.7
268.16281	0.3
269.17279	1.3
273.14972	0.5
273.18442	1.0
274.27304	0.3
275.16476	0.9
275.19928	0.5
277.14792	0.3
277.17841	0.5
287.16348	0.3
289.17865	0.3
291.19592	0.4
293.17429	0.4
301.14410	0.3
301.20050	3.4
315.23389	0.6
325.21646	1.0
327.23206	0.3
341.24741	0.4
343.22659	3.7
347.11777	0.3
351.23184	1.1
353.24780	0.5
361.23785	0.8
369.24228	2.6
371.25854	0.6
375.18140	0.3
387.25140	0.8
393.19171	0.3
407.25781	0.6
417.26376	2.2
425.26746	1.6
435.27368	12.6
436.27762	0.7
439.26971	0.4
443.27917	7.6
461.28937	100.0
462.29300	4.5
472.63406	0.3
475.30685	1.4
493.31567	5.1
503.30298	0.3
527.29480	0.4
542.35571	0.3
547.96906	0.3
561.30658	0.3
569.30951	0.8
587.32141	0.9
589.33398	0.4
601.33447	0.4
605.33099	0.7
619.34894	0.7
637.35919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01861	7.5
55.05241	2.1
55.05504	33.0
57.03432	23.1
57.07064	1.4
59.04993	32.5
61.02916	4.7
65.03938	2.2
65.72627	1.3
67.05495	77.8
69.03422	8.5
69.07058	11.3
70.97227	3.7
71.04984	14.9
73.02885	1.3
75.26622	1.2
79.05482	37.8
81.03404	66.1
81.06552	1.6
81.07041	40.6
83.04967	17.5
83.08610	27.8
85.02891	26.1
85.06532	5.0
87.04455	42.6
89.95572	1.1
91.03962	1.8
91.05469	41.5
93.07027	24.1
95.04957	24.5
95.08587	17.3
96.08901	1.3
97.02879	6.1
97.06496	5.6
97.10155	14.8
99.04446	17.0
99.08094	2.5
101.06022	1.3
105.07013	24.7
106.76885	1.1
107.04948	9.9
107.08571	13.5
109.06496	7.2
109.10140	56.8
111.04436	6.1
111.08057	11.3
112.51756	1.2
113.05979	1.4
115.03957	1.4
115.05481	2.6
117.05531	1.1
117.06999	4.1
119.04925	1.2
119.08565	25.0
121.06493	3.3
121.10117	10.6
123.04425	1.7
123.08066	4.0
123.11733	2.5
125.09613	13.5
127.03918	1.3
129.05461	2.0
129.06982	13.3
131.08548	13.3
133.06544	2.6
133.10112	17.6
135.08032	1.3
135.11674	4.6
137.09610	5.5
142.07784	2.5
143.10619	1.4
145.10098	5.5
147.08069	3.7
147.11665	17.6
149.09590	9.1
153.12718	2.9
155.08600	1.3
155.10706	4.8
157.10094	13.8
163.11142	7.7
165.12720	3.4
173.09583	2.0
173.10272	1.6
173.11719	20.4
175.11143	14.5
181.12285	3.8
189.11235	1.8
191.10675	3.6
193.12206	52.2
199.13257	7.9
209.11754	3.1
211.13261	85.8
212.13632	2.2
217.14342	2.9
219.22165	1.3
223.13133	1.9
227.12639	5.9
229.14314	66.3
230.14598	1.7
241.14388	4.1
265.14197	1.8
267.15887	38.1
275.20053	1.4
283.15411	4.9
285.16937	63.4
286.17120	1.5
313.16574	3.3
315.17929	7.6
364.66357	1.2
373.23520	1.4
383.21814	2.2
391.24863	1.2
398.96228	1.3
403.24994	1.2
409.25729	6.2
421.25797	19.0
427.27069	10.4
439.26862	100.0
440.26981	3.6
457.26141	2.2
461.28812	3.4
471.67172	1.3
475.26984	11.0
493.27594	3.3
525.30334	6.8
543.31628	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	740.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01864	15.5
55.05242	1.7
55.05502	25.5
55.31441	1.0
57.03429	27.2
57.07051	2.5
57.15360	1.0
59.04988	2.3
61.02915	1.7
65.03909	2.5
66.32165	0.9
67.05493	38.5
69.03413	6.7
69.07053	8.7
70.29287	0.9
71.01341	2.6
71.04981	6.2
71.37702	0.9
71.55904	1.9
73.02899	4.8
76.02460	0.9
79.05478	34.6
80.05838	1.2
81.03403	100.0
81.07043	28.6
82.04163	2.4
83.04515	1.5
83.04971	19.1
83.08600	30.6
84.05767	1.4
85.02884	5.6
85.06522	2.1
87.04455	1.6
91.05466	32.6
92.38896	1.0
93.06439	1.3
93.07030	25.4
93.19302	1.0
94.04208	1.1
95.04955	39.0
95.08586	14.4
96.78852	1.1
97.02860	7.0
97.06515	10.5
97.10148	17.9
98.07312	5.7
99.04441	1.7
99.08070	2.6
99.35608	1.0
101.06080	1.0
103.05451	1.1
105.07004	18.7
107.04930	17.5
107.08578	19.8
109.02887	1.8
109.06494	6.0
109.10133	19.2
111.04433	13.3
111.08060	14.3
113.05992	1.1
115.05402	2.5
116.04691	12.8
117.05476	3.3
117.07009	7.4
119.04927	2.5
119.08569	22.5
121.02830	3.9
121.06468	7.8
121.10115	11.8
123.04382	2.4
123.08044	5.1
123.11646	1.6
124.50933	0.9
125.06038	1.2
125.09619	19.3
128.06166	1.1
129.05460	31.5
129.06944	14.4
131.04913	1.5
131.08545	12.9
133.06470	5.5
133.10106	9.5
135.04395	4.0
135.08092	5.4
135.11668	14.5
137.05956	1.9
137.09592	4.7
142.07776	2.1
143.07025	7.1
145.06445	2.2
145.10118	8.6
147.04378	2.1
147.08006	5.4
147.11656	13.1
149.09575	9.6
153.09074	2.8
153.12715	22.0
155.08524	2.3
155.10600	1.4
157.08591	14.1
157.10106	12.8
161.05971	1.1
163.11162	20.4
165.12714	2.2
171.06563	1.5
171.10150	5.4
173.09634	4.1
173.11719	6.9
173.13127	1.8
175.11150	13.5
181.12192	17.9
183.11644	4.4
185.11649	1.7
185.13190	1.3
189.09419	1.8
189.11192	17.5
189.12851	1.7
191.10622	13.4
193.12218	43.6
199.13268	5.0
200.13959	2.2
201.12759	3.7
201.14847	4.2
203.14287	0.9
205.12259	1.9
209.11716	10.7
211.13248	10.2
213.12813	1.6
214.13303	1.1
219.13788	3.6
223.13139	1.7
227.12732	48.5
229.12204	2.8
229.14301	18.4
231.13797	2.9
237.14734	1.2
247.13272	34.4
249.14844	5.9
255.15903	2.3
259.13260	3.8
265.14319	3.6
267.15869	99.0
268.16214	2.6
273.14987	1.3
283.12302	1.5
283.15363	21.1
285.16946	3.1
289.14346	1.1
301.16425	43.7
319.15503	1.1
321.16943	11.7
322.17416	1.0
339.18039	3.3
355.22467	1.9
365.21167	1.3
383.22052	5.5
399.24042	1.0
401.23233	3.3
419.24304	1.3
447.27344	1.1
457.25754	2.2
458.26355	3.0
459.27219	4.8
460.27621	1.6
461.27866	1.8
475.26871	20.1
476.27679	4.6
478.28833	1.0
479.29092	1.1
493.27887	48.6
494.28192	1.4
496.29996	1.1
497.29498	1.2
525.30475	4.1
533.16241	1.2
535.28815	1.3
538.89600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.1
55.01861	14.0
55.05270	2.6
55.05508	32.2
57.03431	25.0
61.02913	8.3
67.05497	79.6
69.03418	22.7
69.07060	27.0
70.19485	5.0
70.19897	4.3
70.49107	1.7
71.04986	15.7
73.02907	5.3
77.03858	1.7
79.05485	68.3
80.05817	2.2
81.03413	100.0
81.07050	98.6
81.07417	1.4
81.07544	2.8
82.03754	3.7
82.07392	3.5
83.04977	33.0
83.08114	1.8
83.08608	34.5
85.02899	30.3
85.06528	6.6
87.04424	1.9
91.03963	3.3
91.05470	73.0
92.05801	4.4
93.07033	57.5
95.04953	36.6
95.08594	39.9
96.05353	1.7
96.08895	1.8
97.02881	19.2
97.06519	21.4
97.10153	12.2
99.04465	5.7
99.08102	3.6
103.05461	2.3
105.07021	66.9
107.04945	20.4
107.08581	38.9
108.08947	1.7
109.02887	10.2
109.06516	15.8
109.10141	16.2
111.04423	11.3
111.08054	16.7
113.05997	4.6
115.05458	3.4
116.06125	1.9
117.07024	19.1
119.08564	55.7
121.06497	8.2
121.10127	31.1
123.04395	4.4
123.08028	10.9
123.11673	8.0
125.09616	8.8
127.03902	8.1
128.06236	2.6
129.05453	4.7
129.06978	18.8
131.04906	3.0
131.08559	34.1
133.06477	7.6
133.10120	38.9
133.32997	2.1
135.08003	10.5
135.11665	9.6
137.08687	1.7
137.09627	8.8
139.11127	2.9
141.07001	4.2
142.07774	6.3
143.08537	8.4
145.06458	4.3
145.10120	25.6
147.04500	1.9
147.08052	6.1
147.11671	31.4
149.09589	15.5
149.13234	11.6
151.11147	5.9
153.12764	2.2
155.08539	2.1
157.10127	21.2
159.08029	2.1
159.11713	14.5
161.09601	4.5
161.13277	3.4
163.11148	8.7
165.12733	10.1
169.10146	3.6
171.08083	2.3
171.10315	1.8
171.11642	9.0
173.04387	16.1
173.09653	2.4
173.13309	4.2
175.11140	16.4
177.12720	3.1
181.10057	2.3
183.11621	2.8
184.07291	2.8
185.13237	4.8
187.11163	2.3
189.11224	4.7
189.12794	2.4
191.10590	3.3
191.14241	3.1
193.12213	45.3
195.11778	1.9
195.13795	5.5
197.13214	3.6
201.12793	2.7
211.13272	61.7
215.14230	1.9
227.12683	9.7
229.14325	4.9
239.17908	4.1
247.20511	4.9
249.14748	2.4
253.14355	2.9
257.19098	9.0
267.15875	43.5
267.18472	3.4
268.16281	2.1
269.17392	13.1
270.17795	2.6
273.18378	3.3
275.20053	53.7
276.19986	1.8
285.16965	50.4
286.17398	2.4
291.19406	2.7
293.21045	6.7
301.14206	2.8
309.16922	2.8
331.22620	2.8
339.18027	2.4
349.23682	34.3
350.24014	2.2
367.24796	6.1
369.24481	2.1
395.20599	2.8
413.21680	8.1
423.27594	2.9
424.27576	5.2
429.21198	9.7
437.25104	2.0
443.28207	3.1
461.28983	19.0
479.29999	42.3
480.29507	2.2
501.31741	5.2
519.33429	2.4
523.33832	3.1
529.35376	2.8
541.35339	28.4
542.35602	2.6
559.36279	48.2
577.37366	24.2
601.37567	2.2
605.33191	6.2
623.34210	22.3
703.41266	8.5
721.41498	10.4
723.99701	2.0
739.42322	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	739.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01862	8.1
55.05501	28.2
57.03166	1.3
57.03430	19.5
57.07059	1.8
59.04987	2.0
59.43477	1.4
61.02911	3.4
65.02960	1.2
65.03913	3.3
67.05494	70.0
69.03418	22.1
69.07062	21.0
70.40314	6.0
71.04974	11.3
71.77794	1.3
73.02882	1.9
79.05480	61.4
80.05800	2.0
81.03405	100.0
81.07043	93.0
82.03739	1.7
82.07361	2.3
83.04963	28.8
83.08604	29.8
85.02892	28.5
85.06509	7.1
87.04457	2.0
91.03951	2.9
91.05463	68.2
93.07027	59.5
95.04390	2.6
95.04953	35.1
95.08588	34.6
97.02873	16.0
97.06508	13.8
97.10158	10.0
99.04427	5.6
99.08079	3.9
103.03961	2.0
103.05439	2.0
105.07014	55.2
106.07320	1.7
107.04935	14.3
107.08568	32.5
108.08910	2.0
109.02839	8.7
109.06510	13.2
109.10157	18.7
111.04437	11.1
111.08072	14.4
112.57871	1.4
113.06004	3.3
115.05437	1.8
115.93088	1.2
117.06269	1.9
117.06999	18.0
119.04901	2.2
119.08555	42.6
120.08907	1.5
121.06480	7.8
121.10130	22.7
123.04427	2.7
123.08031	7.6
123.11675	9.3
125.09596	5.4
127.03866	5.1
127.07494	2.8
128.06171	1.9
129.05441	3.9
129.06984	16.1
131.04903	1.8
131.08549	28.8
133.06456	5.9
133.10107	33.4
135.08014	6.5
135.11688	11.7
137.05934	3.5
137.09590	6.6
142.07796	3.8
143.08513	6.8
145.06444	3.1
145.10091	16.9
147.08020	4.9
147.11662	24.0
149.09578	11.4
149.13283	7.5
151.11147	4.1
155.08485	3.7
157.10091	18.7
159.07991	2.2
159.11676	11.4
161.09599	2.6
161.13217	1.9
163.07582	1.6
163.11166	7.1
164.11514	1.7
165.11418	1.6
165.12679	8.3
169.10054	3.7
169.12173	1.5
171.11646	4.8
173.04433	13.9
173.05846	2.7
173.09688	2.3
173.13240	6.1
175.11166	16.5
177.12718	4.6
179.10716	2.4
183.11684	1.9
184.07283	2.3
185.13148	3.4
187.11104	2.9
189.11079	2.9
193.12212	36.1
195.11682	1.8
195.13733	3.9
197.13243	3.6
211.13249	45.4
227.12753	4.6
229.14313	2.4
229.19519	2.5
239.17999	2.3
247.20508	1.8
249.14641	1.9
253.14328	6.4
257.18970	4.6
258.88159	1.4
267.15884	38.8
269.17410	9.9
273.18427	2.8
275.20020	36.7
276.20297	1.7
283.15314	2.2
285.16931	38.3
291.19614	3.0
293.21082	5.3
293.68146	1.6
320.57864	1.8
337.16110	2.1
339.17935	3.3
349.19629	1.9
349.23721	25.2
350.23956	2.8
355.17365	2.1
367.24680	4.8
377.19351	1.9
387.24991	1.9
395.20380	2.7
413.21677	7.1
419.24036	2.3
429.21176	8.1
433.29037	1.7
439.26767	1.6
443.28134	2.2
449.30383	2.3
461.28934	20.5
462.28833	1.8
467.31113	1.8
479.30008	42.9
481.28058	3.5
501.31973	2.8
541.35236	19.9
559.36212	30.2
560.36212	3.9
569.30304	2.3
577.37079	15.6
601.36993	2.3
605.33594	3.0
623.34192	24.0
624.34540	2.4
703.39563	4.6
721.40717	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	738.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04786	0.1
56.05016	0.5
57.07065	0.1
58.06614	0.4
59.06948	0.1
59.07391	0.1
60.08155	6.4
66.03575	0.1
67.05460	0.2
69.88177	0.6
70.06613	0.1
71.07363	2.9
71.08591	0.1
81.03453	0.1
81.07059	0.2
83.08595	0.1
86.09693	29.5
87.10036	0.2
95.08557	0.1
98.98452	2.6
104.10725	2.1
124.99984	20.3
143.01027	0.3
164.98415	0.1
166.02559	0.1
180.80206	0.1
184.07317	100.0
185.07692	1.0
313.27322	0.2
478.32898	0.1
480.63696	0.1
496.34079	0.1
505.38867	0.2
528.05591	0.1
563.32385	0.1
653.23230	0.1
688.45380	10.1
689.45789	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01866	13.7
55.05504	37.5
57.03428	21.6
57.07078	3.0
57.77206	1.2
59.04988	4.0
61.02908	4.8
65.03916	4.9
65.28285	1.3
65.84225	1.1
67.05497	100.0
68.05815	3.6
69.03414	18.1
69.07061	27.4
70.91319	3.5
71.01329	3.6
71.04984	19.6
73.02900	6.0
79.05485	68.5
79.37111	1.2
80.05802	3.6
81.03409	80.1
81.07046	100.0
82.03739	2.0
82.07375	3.4
83.01305	2.0
83.04967	22.8
83.08609	29.2
85.02894	21.0
85.06535	8.1
86.09689	1.6
87.04440	8.3
91.04923	2.7
91.05471	53.8
91.06042	2.7
92.05821	2.9
93.07033	66.6
94.07343	2.4
95.01364	1.4
95.04957	31.5
95.08593	34.6
96.05264	1.8
97.02875	18.6
97.06526	16.5
97.10155	19.0
98.03651	4.6
99.04448	9.3
99.08073	5.2
101.06032	1.6
103.03916	1.8
105.04541	1.9
105.07015	33.8
106.07323	1.8
107.04948	20.7
107.08580	43.5
108.08904	2.0
109.02874	9.7
109.06508	10.0
109.10145	34.0
110.07291	3.0
110.10442	1.5
111.04435	13.2
111.08080	12.0
113.05991	3.6
115.05445	2.7
116.37202	1.7
117.07011	18.1
119.04910	2.1
119.08561	25.8
120.08866	3.0
121.06483	6.1
121.10126	24.8
123.04416	8.6
123.08051	7.3
123.11681	6.3
125.05965	3.0
125.09618	14.4
127.03918	9.6
127.07454	1.7
128.06252	1.2
129.05487	6.7
129.06989	10.0
131.04895	1.9
131.08542	20.6
133.06442	5.1
133.10114	21.0
135.04388	3.9
135.08047	6.6
135.11662	18.5
137.09587	5.5
139.07539	1.8
139.11172	1.6
141.06955	1.6
142.07793	2.0
143.08528	4.1
145.06444	2.0
145.10109	13.7
146.85037	1.3
147.08022	6.5
147.11647	15.5
148.12033	1.6
149.09613	8.0
149.13240	18.9
151.11133	3.7
151.96143	1.4
153.05434	3.6
153.09064	5.1
153.12718	9.6
155.08571	2.6
155.10654	1.8
157.08629	1.2
157.10115	6.8
159.11655	11.1
161.09595	2.6
163.03816	1.6
163.11168	13.6
164.11456	1.4
165.12740	5.2
167.10645	1.5
169.10144	2.8
171.11678	2.0
173.04439	19.6
173.09621	4.9
173.11769	7.0
175.11154	6.0
175.14899	1.5
177.12714	4.6
181.12140	7.0
183.11581	1.5
184.07324	6.2
189.11183	5.0
191.10651	8.1
193.12248	8.9
195.13774	15.1
199.06020	10.6
199.13284	4.8
209.11674	12.2
211.13237	10.0
211.14836	1.3
212.13638	1.7
213.14848	2.4
223.13016	1.9
224.13957	3.2
227.12730	20.0
229.14360	11.1
239.16362	2.7
255.15674	1.8
265.14285	7.2
267.15927	12.8
269.17456	46.8
270.17709	1.6
273.18472	1.8
274.18845	1.8
274.27396	3.0
275.20068	5.3
283.15356	21.6
285.16922	3.7
291.19534	2.9
292.19943	3.7
297.16904	1.9
301.16663	1.7
305.61621	1.6
393.26196	2.6
411.19928	1.7
411.27350	3.7
423.27393	66.6
424.27634	4.2
427.19714	2.7
431.27808	3.5
435.27298	3.0
436.27884	1.7
437.28088	3.7
445.20316	2.5
449.29083	7.5
459.27454	6.2
461.28860	4.3
477.28430	21.9
478.28860	4.5
479.29419	1.6
492.30807	2.9
495.29492	15.4
511.78378	1.7
541.34558	1.8
558.35107	7.3
559.36444	1.9
576.35803	3.6
579.37927	1.7
623.34088	7.1
639.33441	5.1
702.37335	1.6
720.40094	2.9
738.39398	2.4
739.38574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.6
53.03176	1.2
53.03920	2.7
55.01626	0.6
55.01866	4.8
55.05503	15.4
57.03431	13.1
57.07043	0.7
59.04970	2.4
61.02886	0.8
65.03905	1.4
65.14378	0.5
67.05494	21.1
68.83040	0.6
69.03439	3.4
69.06760	0.5
69.07063	5.2
70.06547	0.9
70.40921	2.5
71.01324	1.6
71.04983	4.6
73.02897	0.9
77.16136	0.6
79.05484	18.4
81.03406	69.7
81.07047	23.9
82.07355	0.8
83.04967	8.4
83.08125	1.3
83.08608	24.0
85.02898	5.1
85.06527	1.8
86.09683	1.0
87.04418	0.6
91.03920	0.7
91.05469	27.8
92.05788	0.9
93.07037	18.8
95.04957	24.1
95.08589	7.6
97.02352	0.6
97.02884	6.3
97.06517	5.8
97.10159	6.7
99.00163	0.7
99.00802	9.8
99.04452	1.5
99.08051	1.4
102.59149	0.6
103.05471	1.0
105.07014	20.3
106.67994	0.6
107.04253	1.0
107.04935	13.1
107.08582	11.7
109.02868	8.2
109.06502	6.1
109.10151	6.0
111.04450	4.6
111.07450	0.8
111.08080	9.1
113.05950	1.0
114.97591	0.6
115.03896	2.3
115.05422	1.9
117.07030	4.4
119.04903	1.3
119.08562	18.4
119.09422	0.9
121.02802	0.6
121.05716	1.1
121.06490	9.4
121.10130	8.5
123.04384	2.8
123.08041	2.4
123.11664	2.1
123.64147	0.6
124.99897	0.7
125.09620	6.1
127.03876	2.2
128.06200	1.7
129.07002	9.4
131.08553	10.2
133.06499	4.5
133.10112	27.9
135.07990	3.2
135.11691	3.9
137.05934	1.6
137.09583	2.8
139.07510	2.1
142.07738	1.9
143.08507	3.3
143.10657	0.7
145.06456	2.8
145.10107	4.1
147.04320	0.6
147.08055	4.4
147.11688	7.6
149.09595	5.0
151.11160	6.8
153.09142	1.2
157.06450	0.8
157.10106	10.0
159.08038	0.7
161.09608	14.6
163.11160	6.1
164.00400	0.6
165.09055	0.8
165.12778	1.9
166.87274	0.7
170.09584	0.6
171.08057	3.5
171.11653	1.4
173.04507	0.6
173.09596	1.4
175.11174	9.4
179.10672	6.5
183.04271	0.5
184.07320	1.4
189.09084	8.7
189.11180	2.9
189.12660	0.6
191.10643	0.9
191.14256	1.0
193.12224	24.6
197.11691	2.4
205.12199	0.9
207.10155	3.2
209.11652	3.4
211.13223	6.8
217.12250	0.8
219.13765	7.5
223.13272	1.0
225.11192	9.3
225.14690	0.6
227.12733	5.4
229.14439	1.3
231.13719	0.9
241.14445	1.2
243.12308	1.7
249.14787	1.8
263.12692	1.1
265.14453	0.7
267.15881	97.3
268.16205	2.6
273.14600	0.9
281.13815	4.2
283.15384	8.8
285.16980	7.6
299.14853	57.0
300.15231	2.0
301.16690	1.5
303.04935	0.9
343.22675	0.7
349.21405	1.1
367.22403	3.1
381.20981	0.7
385.23621	3.9
389.23172	1.4
399.21719	2.4
403.24652	1.2
404.80127	0.6
407.24222	0.7
433.25839	1.8
437.25598	0.8
441.26425	2.5
445.25735	8.8
449.25375	0.9
455.24493	0.8
459.27390	24.4
463.26825	5.7
473.25296	28.7
474.25418	1.2
477.28409	22.1
478.27991	0.8
491.26318	100.0
492.26855	3.7
505.15125	0.8
509.27194	8.7
523.29108	1.6
533.27631	2.1
584.33655	0.6
617.29883	1.0
635.30835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52745	0.6
51.95404	0.5
53.03933	2.2
55.01862	7.2
55.05502	23.7
55.28903	0.5
55.89868	0.5
57.03429	20.1
57.07063	1.4
59.04991	29.4
61.02908	3.9
62.06070	1.7
65.03925	1.8
67.05495	66.9
68.05818	1.5
69.03426	5.7
69.07058	8.7
71.01340	1.3
71.04985	9.2
73.02904	2.2
77.03948	0.6
79.05480	29.8
80.05811	0.9
81.03404	34.4
81.07043	29.3
82.03681	0.7
83.01333	5.2
83.04973	12.6
83.08604	19.7
85.02892	10.3
85.06523	3.1
86.09667	0.9
87.04455	37.8
91.03928	1.7
91.05463	21.6
92.05851	0.6
93.07029	32.2
94.07367	1.1
95.04951	15.5
95.08590	23.6
97.02870	8.1
97.06515	5.4
97.10152	9.9
99.04437	11.7
103.03932	0.5
103.05479	0.7
105.07011	13.4
105.07732	0.8
106.07381	0.7
107.04936	11.4
107.08580	19.9
108.08950	0.5
109.02856	0.8
109.06513	6.9
109.10138	49.3
110.10458	1.7
111.04406	3.9
111.08070	6.5
113.05973	1.8
115.03875	0.7
117.06988	8.8
118.07336	0.6
119.08561	17.6
120.08934	0.6
121.06488	5.2
121.10120	12.0
123.04409	1.2
123.08024	5.1
123.11669	0.7
124.08425	0.6
125.05970	2.7
125.09604	8.3
127.03911	1.6
128.06171	0.7
129.05449	0.8
129.06955	5.2
130.07780	1.1
131.04878	0.9
131.08563	6.1
133.06476	1.4
133.10132	5.0
135.08038	3.0
135.11671	23.5
136.12033	0.7
137.09584	4.5
139.03903	0.7
139.07539	1.5
142.07791	1.0
143.08569	1.4
143.10622	1.0
145.04991	0.7
145.06465	2.1
145.10094	18.1
146.10439	0.8
147.08017	2.5
147.11632	3.9
149.09572	3.7
151.11168	1.1
153.12796	2.6
155.08549	1.6
155.10616	3.1
157.10103	5.1
163.11159	33.9
164.11472	1.1
165.12769	1.0
171.08070	0.9
173.04553	1.3
173.09616	3.1
173.11702	16.2
174.12115	0.6
175.11128	2.9
181.12233	6.3
184.07341	1.7
189.11156	1.1
191.10658	3.4
193.12219	10.7
199.13251	7.9
205.12312	0.7
209.11658	6.4
209.13272	0.6
211.13249	6.2
217.14201	0.7
223.13191	1.3
225.14789	0.7
227.12747	33.0
228.13129	1.0
229.14319	59.0
230.14658	1.6
233.15251	0.8
241.14291	2.8
255.15970	1.2
257.13882	2.0
259.15430	0.8
265.14297	1.2
267.15875	28.2
268.16113	0.8
269.17377	0.8
273.14890	1.2
274.18750	0.6
276.20346	0.6
283.15353	67.1
284.15674	1.9
285.16895	6.0
301.16595	0.9
307.40677	0.6
311.14828	3.2
315.17981	6.6
348.76309	0.5
367.22681	2.4
385.23495	3.4
403.24918	0.7
407.24292	1.6
421.25699	0.6
425.25272	7.4
433.25961	2.7
437.25299	100.0
438.25653	3.9
441.26532	1.8
447.27249	1.0
459.27341	19.8
475.26584	0.8
477.28467	14.4
491.27408	1.2
495.29327	0.8
509.27676	1.8
519.29663	0.7
523.28979	2.1
541.29657	2.9
543.36548	1.1
558.34827	1.3
576.36194	0.8
639.33899	0.7
738.41229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01862	9.6
55.05503	33.1
57.03426	23.6
57.07064	1.3
59.04990	32.8
61.02923	4.4
65.03919	1.8
67.05491	62.1
68.05811	1.3
69.03412	6.9
69.07049	10.0
71.01333	1.9
71.04624	0.9
71.04985	11.8
71.79373	1.0
73.02897	2.7
77.03944	0.9
79.05479	36.4
81.03403	42.0
81.07043	35.6
82.03738	1.4
82.07365	1.6
83.01328	6.5
83.04967	15.7
83.08607	24.0
84.08916	0.9
85.02895	13.0
85.06523	3.2
86.09682	1.0
87.04454	46.0
91.03950	1.8
91.05463	27.1
92.05810	1.0
93.06435	1.6
93.07027	30.3
94.07344	0.8
95.01302	0.8
95.04955	19.5
95.08590	15.0
96.05319	0.9
97.02866	7.6
97.06510	8.4
97.10152	16.8
99.04441	17.1
99.08056	2.4
101.06025	1.3
103.05460	1.2
105.07015	16.9
107.04938	11.1
107.08571	20.8
109.02857	2.0
109.06506	9.7
109.10136	46.2
111.04438	6.2
111.08061	7.3
113.06021	1.0
115.03928	1.1
115.05447	1.5
117.07002	9.5
119.08562	17.6
121.06493	4.7
121.10126	12.4
123.04388	2.5
123.08044	8.7
123.11692	1.1
125.05985	2.7
125.09627	12.1
126.09940	0.8
127.03894	2.0
127.07604	0.7
128.06180	1.1
129.05467	1.4
129.06985	6.3
130.07822	0.9
131.04874	1.1
131.08554	9.4
133.06464	1.3
133.10112	6.2
135.08081	3.5
135.11671	12.8
137.09631	3.9
139.03876	1.5
139.07489	1.0
141.06905	1.0
142.07768	1.3
143.08542	2.2
143.10689	1.2
145.06445	2.8
145.10118	14.0
145.39638	0.7
146.10379	0.8
147.08003	5.2
147.11671	6.3
149.09560	4.2
151.11166	1.7
153.12709	3.5
155.08516	2.7
155.10672	2.8
157.10104	4.3
158.10600	0.9
159.11703	1.1
161.09650	1.1
163.11163	23.5
164.11472	1.1
165.12779	1.3
169.06531	0.7
171.11664	1.6
173.04416	1.0
173.09557	4.6
173.11720	15.2
173.13139	0.8
175.11130	6.5
181.10121	0.9
181.12225	4.1
183.11707	1.0
184.07309	2.3
189.11229	1.1
191.10652	4.8
193.12225	12.8
197.13318	1.0
199.11383	0.9
199.13268	11.4
209.11690	10.0
211.13246	6.5
212.13649	1.2
223.13214	1.9
227.12695	9.9
227.14484	0.9
229.14319	49.3
241.14352	3.3
253.14198	1.0
257.13840	2.4
265.14401	1.2
267.15869	32.8
268.16278	1.1
269.17474	1.4
280.09232	0.7
283.15350	86.6
284.15778	3.4
285.16870	5.0
311.14749	4.3
315.17944	8.2
349.21136	0.8
367.22656	3.4
385.23651	2.9
407.24091	5.4
425.25275	20.3
426.25131	1.0
433.25644	4.5
437.25290	100.0
438.25894	5.4
441.26306	2.5
459.27362	30.2
460.28091	1.1
461.28378	1.2
475.26837	1.0
477.28448	23.8
478.28693	0.8
491.25977	0.9
509.27573	1.1
523.28827	4.2
540.33984	1.1
541.30078	4.4
543.36810	2.4
557.34833	1.5
558.34839	3.2
576.35840	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	737.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01856	10.1
55.05504	36.4
57.03436	14.9
57.07055	2.2
59.04980	2.8
61.02919	20.7
65.03937	4.7
67.05496	71.1
69.03426	17.7
69.07065	21.5
70.80650	5.0
71.01341	2.4
71.04981	15.2
73.02898	7.7
73.06530	1.3
77.03927	1.5
78.31274	1.3
79.05483	57.0
81.03410	39.6
81.07047	70.8
82.07381	2.0
83.04971	16.4
83.08611	23.0
85.02901	23.4
85.06532	6.5
91.03939	6.7
91.05471	57.2
93.07033	58.3
94.07362	1.8
95.04962	22.3
95.08600	44.4
96.08862	1.7
97.02874	18.3
97.06528	9.9
97.10161	17.2
97.80662	1.5
99.04449	4.2
99.08076	6.4
99.65900	1.4
101.02384	3.1
103.05486	2.4
105.07017	44.5
107.04951	8.6
107.08582	32.7
109.02886	6.7
109.06504	9.7
109.10148	24.7
111.04432	6.7
111.08084	9.8
115.03863	1.5
115.05445	5.2
117.07011	25.1
119.04943	2.3
119.08570	38.1
121.06528	8.4
121.10139	25.5
123.04408	3.6
123.08070	7.3
123.11724	7.2
125.09619	18.8
127.03886	7.8
128.06204	6.5
129.05473	3.3
129.06985	21.3
131.08551	40.6
133.06497	6.8
133.10109	30.8
135.04453	1.7
135.08057	10.1
135.11681	11.9
137.05934	1.7
137.09628	4.3
139.07532	1.9
141.07002	6.7
142.07753	5.2
143.08553	22.4
145.06482	5.6
145.10118	27.6
147.08022	8.3
147.11664	17.3
149.09637	10.9
149.13251	4.1
151.07483	1.7
151.11156	4.4
153.09077	2.2
153.12791	1.7
154.07733	2.1
155.08531	15.9
156.09296	2.9
157.10110	28.1
159.08052	6.1
159.11687	19.5
161.09637	7.1
161.13239	5.9
163.11205	5.7
165.07034	1.8
165.09015	2.5
165.12694	3.5
167.08566	6.4
167.10663	3.2
169.10112	15.7
171.11684	17.5
173.04457	2.0
173.09612	5.7
173.13194	11.8
175.07623	1.5
175.11157	10.2
177.12695	2.6
179.08524	1.8
181.10124	11.0
181.12021	3.1
182.10870	1.9
183.11664	14.7
185.13226	11.3
187.11208	5.1
187.14809	4.7
189.11169	6.5
189.12718	4.2
191.10635	2.4
193.10150	4.6
193.12231	15.8
194.10910	1.6
195.11739	10.1
195.13443	2.3
196.12425	1.7
197.13252	8.6
199.11290	3.0
199.13210	3.5
199.14857	4.6
201.12814	3.1
203.14395	2.6
207.11778	3.8
209.13301	8.9
211.13261	13.5
211.14912	3.2
213.12869	2.9
213.14679	2.0
213.16531	2.7
217.15866	2.6
221.13281	4.1
222.89539	1.5
223.14830	4.5
225.12729	1.5
227.12692	13.2
227.14421	1.9
227.17851	2.0
229.14285	2.8
233.15337	1.8
235.14772	2.2
237.16286	3.0
245.18958	2.6
251.17993	2.0
253.14366	5.6
259.20508	3.6
267.15799	10.8
273.18567	13.1
275.20062	5.2
283.15250	2.4
283.20499	2.2
285.17032	5.7
285.22177	4.2
287.20099	2.3
291.19525	14.8
292.19803	1.9
297.18686	2.1
297.22083	4.2
299.20416	2.4
299.23434	6.9
301.21646	2.2
303.23349	1.6
309.20618	1.8
311.19626	2.5
315.23297	1.7
321.22226	2.6
335.23563	3.0
341.24841	1.9
347.22238	5.8
365.23209	15.3
366.23160	1.9
415.29810	4.8
421.25754	3.2
429.21317	8.0
431.28305	2.5
433.31042	14.3
443.27777	4.6
447.27399	2.1
451.32101	13.2
461.29050	4.3
469.32983	6.5
483.34601	2.3
499.34152	2.1
507.34729	12.1
508.34641	1.9
515.37158	2.7
517.35461	16.4
525.35724	80.1
526.36017	8.3
539.35321	2.5
543.36761	100.0
544.37067	9.8
557.37323	21.5
558.36926	1.9
575.39764	31.6
576.38940	1.8
607.29718	1.8
669.39722	1.7
679.39734	2.0
683.38153	2.4
687.40472	3.6
701.38953	1.7
705.41937	3.9
719.40118	13.6
737.43500	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	737.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.0
55.01870	20.7
55.05241	2.8
55.05506	50.8
56.05853	1.9
57.03430	17.8
57.07051	3.3
59.04986	3.4
61.02913	4.9
62.06078	1.5
65.03916	2.4
67.05499	86.1
68.05838	2.9
69.03418	25.4
69.07063	30.3
69.45609	10.2
69.46028	7.7
71.01336	3.1
71.03851	1.8
71.04983	14.9
73.02899	4.9
73.06536	1.7
79.05485	74.9
80.05827	2.3
81.03409	100.0
81.07048	94.6
82.03766	2.7
83.04976	34.5
83.08612	34.6
85.02898	24.9
85.06541	7.9
86.09683	2.2
87.90565	2.0
91.03946	1.8
91.05468	74.8
92.05782	2.4
93.06448	3.8
93.07036	68.1
94.07389	2.8
95.01264	2.0
95.04956	46.5
95.08593	42.2
97.02878	27.8
97.06519	19.7
97.10156	21.6
98.21517	2.5
99.04458	6.3
99.08118	2.6
101.02375	2.3
103.03933	2.1
103.05445	2.2
105.07019	56.5
106.07348	2.9
107.04940	19.9
107.08577	44.9
107.09265	3.6
109.02884	13.5
109.06509	19.1
109.10147	29.2
110.10486	1.7
111.04443	11.7
111.08057	15.2
113.05984	3.0
115.05428	4.7
117.06998	24.0
119.08567	46.1
120.08915	1.8
121.06504	13.9
121.10123	27.2
123.04391	5.3
123.08055	19.0
123.11685	5.7
125.05981	3.1
125.09626	20.3
127.03907	13.4
128.06204	4.3
129.05460	5.8
129.06985	18.7
130.07828	2.2
131.08548	34.0
133.06476	10.0
133.10109	34.6
133.11043	3.0
135.04456	2.0
135.08011	14.3
135.11668	16.0
137.05994	2.9
137.09601	7.3
139.11188	2.0
141.06969	3.8
142.07800	3.7
143.08551	9.6
145.06464	5.9
145.10112	30.6
147.04430	1.9
147.08054	14.1
147.11674	24.2
149.05939	1.8
149.09578	16.5
149.13231	5.9
151.11192	6.4
153.06886	1.9
153.09091	5.1
153.12732	3.4
155.08545	5.3
157.10121	18.8
159.08038	5.9
159.11667	11.2
161.09590	5.6
161.13258	4.3
163.07535	2.5
163.11180	23.0
165.09056	4.1
165.12730	5.2
167.08560	2.5
169.10110	3.2
171.08008	3.2
171.10275	2.4
171.11667	7.0
173.04478	8.2
173.09573	5.6
173.13235	4.5
175.07466	1.8
175.11165	16.5
177.09019	2.2
177.12724	4.3
179.08588	2.1
179.10605	2.0
181.12218	3.9
183.11697	5.6
184.07309	3.4
185.09578	2.3
185.13341	2.8
187.11229	2.8
187.14789	2.4
189.09344	1.9
189.11227	9.2
189.12730	3.0
191.10608	5.0
193.12199	32.4
195.11751	3.2
195.13718	2.1
197.13280	2.2
199.11191	2.6
205.12202	3.6
207.13844	2.2
209.11728	6.5
211.13237	31.6
213.16293	1.6
219.13785	3.5
223.13268	7.4
227.12735	22.8
229.14223	4.3
233.15213	2.4
235.13162	3.0
239.18134	2.1
245.19016	3.2
249.14790	3.2
251.10147	2.2
253.14388	7.7
255.17567	3.0
257.19012	2.8
258.27869	3.7
263.20062	2.4
267.15866	27.3
273.18524	26.1
275.20013	25.9
283.15314	21.5
285.16989	13.6
291.19510	51.4
291.22754	3.0
293.21329	1.8
297.18359	2.0
301.13889	2.2
309.16666	3.3
309.20523	1.8
313.21487	2.1
321.16718	2.2
329.21170	2.5
331.22589	3.4
337.16382	2.0
347.22107	10.0
349.23792	14.1
365.23212	28.3
385.23978	1.8
401.22400	2.2
411.20245	3.2
423.27386	2.3
427.19339	2.4
429.21240	12.0
445.25964	2.4
459.27127	4.9
461.29446	2.0
463.27023	3.3
465.30194	2.5
477.28418	15.4
483.30963	4.0
527.37067	6.7
528.30005	2.2
528.37585	35.9
529.35040	2.2
539.33655	10.0
543.36353	3.0
557.34668	56.6
558.34882	2.6
575.35620	40.8
599.34912	2.5
607.30621	2.1
621.32324	3.4
639.33673	3.7
683.37891	3.1
701.39044	6.2
719.40021	27.0
737.41449	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	737.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.6
55.01858	8.2
55.05504	40.7
57.03430	21.6
57.07076	1.6
59.04990	2.9
61.02915	13.0
65.03921	4.8
66.08988	1.4
67.05492	66.0
67.56442	1.3
69.03421	14.2
69.07058	23.0
69.64312	14.1
71.04977	9.6
73.02907	5.0
79.05483	64.9
80.05799	2.1
81.03405	64.2
81.03885	3.4
81.07043	69.8
83.04969	20.0
83.08604	31.3
85.02895	28.6
85.06538	5.6
86.09680	1.4
91.03934	4.7
91.05463	100.0
92.05826	2.0
93.07031	62.2
95.04958	32.5
95.08591	41.2
96.99174	1.5
97.02882	11.8
97.06513	12.5
97.10162	13.7
99.04436	4.1
99.08080	5.4
101.99281	1.6
103.05448	5.0
105.03397	1.8
105.07016	84.3
107.04930	13.4
107.08575	29.3
109.02898	3.2
109.06495	21.0
109.10151	12.8
111.04427	6.4
111.08069	14.6
113.05999	3.5
115.05425	11.4
116.06256	2.5
117.07003	45.7
119.04926	2.0
119.08566	58.0
119.09419	3.2
120.03761	1.3
121.06509	9.8
121.10119	21.6
123.04418	2.2
123.08044	12.0
123.11712	4.0
125.05982	2.8
125.09620	8.7
127.03897	6.5
128.06209	22.4
129.06982	36.4
130.07779	9.1
131.08548	93.6
132.05692	1.4
133.06474	11.9
133.10109	34.1
134.10387	1.9
135.08037	10.9
135.11665	8.5
135.72023	1.4
137.05927	1.7
137.09587	7.0
139.03850	1.9
139.11142	2.5
141.06967	12.9
141.09117	1.7
142.07802	9.7
143.08542	91.1
144.09299	2.2
145.06450	4.6
145.10103	88.4
147.08040	16.1
147.11653	22.4
149.09590	14.3
149.13237	3.1
151.07532	4.6
151.11150	3.6
153.06981	1.9
154.07793	2.5
155.08551	12.6
157.10100	37.5
158.10524	1.6
159.08034	7.7
159.11653	24.3
161.09595	21.4
161.13280	2.7
163.11163	9.8
165.07021	3.5
165.12761	3.8
166.07809	2.0
167.08546	6.8
168.09239	1.6
169.10106	19.5
171.08009	1.5
171.11659	16.9
173.04472	2.5
173.08202	1.8
173.09560	7.4
173.11801	2.4
173.13281	4.1
175.11172	24.3
177.09142	1.8
177.12779	7.2
179.08556	1.6
180.09294	2.9
181.10110	15.1
182.10771	2.1
183.11652	10.3
184.07336	2.6
185.09602	2.7
185.13202	10.0
187.11163	4.1
189.11246	1.8
189.12724	2.2
193.10341	2.3
193.12209	47.6
195.11682	21.6
195.13446	1.6
197.13213	2.5
199.11176	3.7
199.14847	4.2
201.12708	4.3
205.12257	1.5
209.11626	6.7
209.13335	5.2
211.11224	3.6
211.13229	50.7
213.12811	3.6
217.15887	2.5
221.15302	1.7
222.13956	1.8
227.12788	4.1
227.17905	6.0
229.14299	1.9
231.13811	1.5
237.16324	24.2
239.18036	1.5
241.14307	2.1
245.18967	5.8
249.14908	2.4
255.17433	30.9
257.19012	1.6
267.15903	29.3
268.16153	2.2
269.17609	3.6
273.18442	89.9
274.18805	2.8
275.19977	5.0
283.15375	2.4
285.04282	1.8
285.16922	95.8
291.19522	6.4
311.19870	2.1
329.21078	9.9
347.22119	53.4
348.22620	2.4
349.23773	2.2
425.25256	1.9
447.28824	3.0
459.27115	1.8
461.29053	2.0
477.28528	4.8
539.33679	24.5
557.34680	54.9
558.35114	1.8
575.35455	13.3
683.74969	2.1
718.41559	1.6
719.39746	3.2
737.39734	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	735.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
53.97141	1.3
55.01866	11.2
55.05503	30.4
57.03433	12.2
57.07070	3.3
59.04995	1.5
61.02913	3.3
65.03929	6.0
67.05495	86.9
68.05849	1.9
69.03419	17.8
69.07057	28.2
70.15574	4.4
70.16000	3.5
71.04986	8.5
73.02899	3.0
73.06550	1.8
77.03902	1.8
79.05482	100.0
81.03410	43.4
81.07043	95.4
83.04963	27.2
83.08599	15.6
85.02879	11.9
85.06526	6.7
91.05466	93.2
93.07032	94.9
95.04951	31.7
95.08595	52.0
95.88688	1.7
96.08913	1.5
97.02877	13.3
97.06509	15.4
97.10159	6.8
99.04442	5.6
99.08073	3.4
103.05460	3.6
105.04552	2.2
105.07015	71.5
107.04929	17.2
107.08579	41.4
109.02856	5.9
109.06516	14.8
109.10135	16.8
111.04412	4.2
111.08044	7.4
115.05412	3.9
116.06230	1.7
117.06994	27.0
117.66783	1.4
119.04987	1.3
119.08566	56.3
120.37628	1.6
121.06512	10.3
121.10130	21.8
123.04408	2.8
123.08064	10.9
123.11726	6.5
125.09633	3.3
127.03882	9.5
127.07556	2.0
128.06201	5.3
129.05496	3.5
129.06995	24.3
130.07747	1.5
131.04922	1.4
131.08545	35.9
133.06451	7.0
133.10109	38.4
135.08057	8.4
135.11674	14.5
137.09636	4.3
139.11151	2.1
141.06981	4.4
142.07716	2.6
143.08545	17.2
145.06490	5.0
145.10117	30.6
147.08031	6.2
147.11668	48.9
149.09593	9.7
149.13268	8.0
151.11174	5.1
153.09143	2.1
155.08556	4.8
157.06555	1.8
157.10094	9.7
159.08080	3.4
159.11670	16.6
161.09637	6.0
161.13258	14.1
163.11140	7.2
165.12798	4.2
167.08528	2.5
169.10107	4.2
171.08058	2.6
171.11662	29.8
173.04460	18.8
173.09518	2.4
173.13245	7.6
175.11240	2.2
177.12770	4.8
179.14194	1.5
181.10129	1.9
183.08150	1.7
183.11719	2.8
184.07387	1.9
185.09555	1.7
185.13263	3.7
187.11159	2.9
187.14761	1.9
189.12692	11.9
191.14374	1.9
195.11832	2.1
195.13773	4.1
197.13292	4.3
201.12701	2.5
201.16383	1.6
207.13774	20.8
223.14709	1.6
225.14828	3.7
227.12714	2.7
229.12228	1.7
229.19600	3.1
239.17981	4.2
247.20523	3.5
257.19006	13.3
267.15945	4.5
269.17633	3.3
273.18381	2.2
275.20038	51.9
279.15903	3.4
281.17429	79.6
287.16388	5.8
291.19449	4.3
293.21078	3.7
299.19946	2.2
331.22601	5.4
339.17908	1.7
349.23676	29.2
367.24756	4.2
377.23779	2.3
383.22180	2.3
413.21548	9.9
419.24323	1.7
425.21866	4.7
435.32181	1.6
451.26181	1.7
459.31250	1.9
475.30515	81.1
476.30661	1.7
511.29251	2.2
515.33246	2.5
527.36945	3.8
537.35425	4.7
555.36804	61.4
556.36511	2.9
573.37939	15.5
601.34412	2.2
619.34662	22.0
622.93762	1.7
699.41083	4.4
717.41345	4.8
735.40717	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	735.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	38.3
56.96822	3.2
70.78629	1.5
71.79281	2.2
71.79663	1.6
71.80027	1.7
78.08082	1.3
84.96020	9.0
85.02914	4.0
89.03894	3.3
97.02883	3.1
98.97565	41.5
102.97100	2.0
107.04993	1.9
110.97548	8.4
112.99135	2.0
116.98608	37.9
117.03400	3.8
124.99108	2.4
127.03985	1.5
128.97652	1.7
128.98601	25.4
131.00177	5.5
134.98694	2.2
134.99644	18.7
135.04381	12.3
139.03912	1.8
140.98587	5.8
141.02255	1.7
143.00140	18.0
145.02757	8.9
145.04955	1.4
146.99641	24.3
147.04376	7.5
149.01219	4.0
152.98579	2.8
152.99666	3.6
153.00812	1.5
157.01700	1.7
158.99638	19.0
159.03320	6.9
161.01196	35.8
162.00209	2.2
163.03889	81.6
164.04231	8.4
165.00742	4.2
167.00241	1.5
167.01994	1.8
168.00200	4.8
169.01720	6.3
170.99620	22.0
174.00201	3.1
177.00710	25.0
179.02292	5.7
180.00026	1.7
182.99493	8.5
185.01192	10.8
186.99100	3.0
187.01247	2.0
187.02777	11.0
189.00684	43.6
190.00583	1.8
192.00192	1.8
193.01668	4.1
194.99556	2.3
195.01871	3.1
198.01251	2.7
201.00682	56.8
203.02235	12.7
204.01263	1.8
205.00232	2.3
205.03812	3.8
207.01775	9.0
209.01212	2.8
210.01250	5.2
211.02794	7.8
212.01965	1.6
213.00655	17.5
218.99759	5.6
219.01723	53.5
221.03185	10.5
225.00636	3.1
227.02170	2.8
229.03879	2.6
231.01727	24.3
234.01285	2.3
237.00681	33.0
237.02844	23.2
240.02318	5.3
242.03389	2.7
243.01796	21.5
245.05138	3.8
249.02800	15.6
251.02307	2.9
254.03299	2.1
255.01714	78.3
256.02106	2.4
260.02426	2.0
261.02786	65.4
263.06076	1.9
264.02258	6.3
264.52463	1.6
267.04010	3.4
269.03290	2.5
270.02240	2.0
273.02798	100.0
274.02945	3.0
277.00101	1.8
278.03296	3.0
279.03909	37.3
282.02524	4.2
286.97421	2.1
291.03854	16.5
291.53061	1.6
296.04391	3.4
297.02914	6.2
302.05493	3.8
303.03918	3.1
305.03207	4.0
306.03250	9.7
306.53418	2.1
309.04703	1.9
315.04214	9.9
321.04907	32.0
321.55389	1.5
323.04358	7.0
327.03796	6.9
327.54001	1.8
331.04834	2.8
333.04816	5.1
336.04254	4.4
336.54883	1.6
341.05331	1.5
342.04138	2.1
347.04431	4.5
347.54974	1.8
349.02148	2.4
349.05963	2.7
351.05820	6.2
357.04950	5.4
362.09940	2.2
363.03824	2.0
365.05249	5.7
367.03503	5.6
375.03613	4.1
381.08212	16.9
385.55920	2.4
386.05865	4.0
386.56085	2.2
387.05905	17.9
387.56198	3.0
393.04782	30.5
393.55087	2.1
396.06372	9.3
399.06967	6.0
402.05600	5.4
402.55743	2.5
407.07352	1.8
411.05933	32.3
413.56445	1.9
417.07135	3.5
421.09720	2.5
423.06247	4.4
429.07028	41.5
432.07050	4.7
434.07294	2.6
435.06097	5.2
438.06314	2.4
441.08881	3.5
447.07437	1.9
453.06995	79.0
465.06876	7.3
471.08167	17.4
477.07275	4.3
483.08063	24.9
494.09506	5.1
495.08038	5.3
513.09125	6.8
525.09149	4.4
537.09442	7.3
543.10278	3.6
555.10291	34.3
556.10980	2.1
558.11609	5.3
558.61603	3.4
561.11353	7.9
564.10626	7.6
564.60663	2.8
573.11011	5.6
597.11163	2.3
717.15381	6.0
735.16376	46.2
736.15240	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	36.8
56.96811	1.4
63.47762	0.7
68.96529	1.1
69.03400	1.1
71.95196	0.8
74.97570	0.8
84.26440	0.7
84.58947	0.8
84.95551	0.9
84.96014	11.6
85.02872	4.0
89.03865	2.4
97.02828	2.3
98.21418	1.2
98.97564	59.3
99.04438	0.7
101.75489	0.7
102.97021	1.3
110.97546	15.8
112.99153	1.0
116.98605	39.3
117.03316	2.6
119.01781	0.7
124.99037	3.9
126.80501	0.6
127.00645	1.0
127.03864	2.6
128.98587	28.2
129.87488	0.6
131.00114	2.9
134.99640	13.7
135.04408	6.8
139.00696	1.0
139.03857	1.1
140.00134	1.8
140.85796	0.7
140.98573	5.5
143.00140	24.9
143.01793	1.0
145.01645	2.7
145.02798	5.6
146.99622	21.9
149.01125	1.2
152.88890	0.7
152.98555	3.9
153.00690	0.9
155.00021	0.9
157.01691	1.4
158.99631	26.7
159.03232	3.9
161.01205	31.4
162.99115	0.7
163.03883	45.0
164.04211	3.4
165.00685	2.1
168.00192	0.8
168.98056	1.0
169.01678	3.6
170.01262	1.2
170.99629	35.5
173.01175	2.0
174.99159	1.6
175.02718	1.5
177.00690	28.4
179.02222	4.2
182.99577	14.4
185.01244	5.2
186.99184	4.0
187.02765	6.1
189.00682	49.0
190.00591	0.8
191.02228	1.3
193.01703	2.3
194.99551	2.0
195.01738	2.8
197.01105	0.8
200.02214	1.0
200.98943	3.1
201.00674	74.0
202.00943	0.9
203.02287	6.5
205.00114	3.2
205.03696	0.9
207.01692	6.9
209.01122	1.4
211.02782	5.1
212.02225	1.6
213.00681	10.9
217.00298	1.1
218.99690	10.0
219.01703	64.2
221.01169	1.1
221.03249	2.3
223.02812	1.7
224.02327	2.0
225.00665	3.1
227.02174	0.8
229.03802	2.5
229.38309	0.7
231.01707	14.5
233.01089	1.5
234.01295	1.2
236.02238	0.7
237.00648	56.1
237.02811	23.6
242.03334	2.8
242.99290	1.4
243.01724	26.9
245.05138	1.3
249.02809	6.1
251.02164	3.5
255.01715	71.3
256.02118	1.0
260.02258	1.4
261.02789	100.0
262.03174	1.3
263.06165	0.8
267.03970	1.1
268.96671	1.4
269.03305	5.7
271.01431	0.8
273.02777	75.5
274.03183	1.3
278.03357	3.1
279.03879	50.6
284.04288	1.0
287.01907	1.6
287.04688	1.3
291.03836	18.6
296.04465	2.0
297.02637	8.6
302.05524	5.2
303.03528	1.7
305.03308	3.1
306.03201	3.1
309.04895	2.2
311.02316	2.1
315.01730	3.2
315.04462	1.4
321.04904	54.1
323.04395	7.1
327.03781	1.4
329.03235	1.5
331.01163	1.0
331.04892	2.7
333.01901	0.8
333.05475	7.9
336.04144	1.6
341.05255	1.7
347.04294	4.6
349.02017	3.8
349.05957	2.3
351.05994	14.6
357.02933	0.8
362.09656	1.2
363.03995	2.6
365.05374	3.7
367.03085	3.5
375.03693	5.5
381.07330	17.9
383.05884	0.9
387.05853	5.3
393.04840	27.8
393.09900	1.0
393.55042	0.9
394.05322	1.1
396.06671	1.2
399.08347	10.8
402.05646	3.3
407.05945	0.9
411.05902	29.7
412.06372	1.1
413.56281	1.6
414.06027	2.5
423.06351	4.4
423.56265	1.1
429.06998	68.5
430.07507	1.6
430.99704	0.8
432.07025	1.0
434.07510	1.5
435.05865	11.2
438.06369	3.1
438.56757	0.8
441.07709	1.1
447.07632	4.4
449.00809	1.0
452.08633	2.7
453.06985	49.3
454.07214	1.4
465.00894	1.3
465.06976	10.0
469.09772	2.1
471.08051	19.1
474.07416	1.0
477.07529	1.3
483.08038	11.0
483.57736	1.0
488.09052	1.1
494.09665	2.7
495.07999	14.8
501.09109	1.5
507.07935	2.4
513.09204	5.0
519.08252	3.1
525.09253	6.6
537.09106	16.4
543.10101	4.1
555.10254	34.7
556.11292	1.1
558.11719	1.5
561.11267	3.0
564.10345	3.7
564.60596	1.2
573.11212	7.1
597.11310	8.8
598.93036	0.9
717.15363	14.7
735.16382	34.1
736.16327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05014	0.6
57.07054	0.2
58.06619	0.5
60.07859	0.3
60.08155	5.9
61.08458	0.1
67.05483	0.5
69.07038	0.3
71.07360	2.8
71.08587	0.2
71.79979	0.2
79.05474	0.3
81.03402	0.3
81.07034	0.4
83.04935	0.1
83.08607	0.1
86.09692	29.3
87.10036	0.2
91.05492	0.3
93.07022	0.2
95.04973	0.2
95.08590	0.3
98.98443	2.8
104.10730	2.2
105.06976	0.2
107.08579	0.2
123.11678	0.1
124.99985	18.1
131.08435	0.2
137.63208	0.2
143.01086	0.4
166.02612	0.2
184.07314	100.0
185.07674	0.8
313.27478	0.2
505.38696	0.2
524.36786	0.2
734.49573	9.0
735.34186	0.2
735.49609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5613
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
51.47818	0.4
53.03943	0.7
55.01857	0.7
55.05506	9.8
56.05028	4.6
57.03440	0.8
57.07070	6.4
58.02951	0.7
58.06590	0.6
59.93636	0.4
60.04519	78.0
60.08146	0.4
65.03933	0.8
67.05496	16.2
69.03417	0.4
69.06686	0.7
69.07063	14.3
69.74953	3.1
70.06588	3.0
71.05000	0.6
71.08617	3.1
72.04510	3.8
73.02928	0.4
74.06078	3.0
79.05482	8.7
80.05013	1.1
81.03407	3.1
81.07046	17.8
82.06583	2.8
83.04971	1.5
83.08609	9.4
84.04525	0.5
84.08152	0.5
85.02900	0.9
85.06516	0.3
85.10170	1.4
86.06073	2.8
86.09713	1.8
88.07631	0.5
90.05539	3.2
91.05469	9.8
93.05804	0.4
93.07033	9.7
94.06557	4.8
95.04967	2.6
95.07336	1.8
95.08599	14.6
96.08115	3.2
97.06521	1.7
97.10163	5.0
98.06055	1.6
100.07626	1.0
100.11251	1.7
105.07011	6.9
107.07404	0.5
107.08585	6.5
108.08118	1.7
109.06515	1.0
109.10136	5.6
110.09682	1.0
111.08092	1.4
111.11732	1.6
112.07649	0.8
114.09161	0.7
116.07104	0.5
119.08580	7.0
121.10129	5.8
122.09659	1.4
123.08092	1.3
123.11658	1.9
124.11244	0.6
124.99984	0.9
126.09180	0.6
133.10107	4.6
135.10503	0.7
135.11710	3.2
136.11240	1.3
137.09639	1.2
137.13293	1.1
147.11708	2.1
148.14323	0.4
149.13280	1.4
151.14841	0.6
161.13277	1.1
163.14836	0.8
182.19182	0.4
184.07346	4.6
219.21049	0.6
233.22585	0.9
234.22241	1.0
237.22147	0.4
238.25305	0.8
245.22655	3.2
250.25345	3.7
252.26901	0.8
254.24847	0.9
260.23535	0.7
262.25284	27.4
263.23633	4.4
263.26031	0.5
266.24835	0.7
268.26434	1.5
272.25803	5.9
280.26321	25.5
281.26871	0.6
298.27359	9.0
298.30548	0.7
314.26849	2.8
316.28381	1.9
324.28986	0.6
344.28070	1.6
351.69864	0.5
504.47659	0.7
516.47925	3.8
517.46741	0.4
534.48804	16.1
535.49237	1.2
552.49841	100.0
553.50323	6.3
570.50885	43.3
571.51440	2.5
604.66010	0.4
725.60870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99023	0.4
53.03936	1.2
55.01867	1.0
55.05503	10.2
55.54937	0.4
55.61578	0.4
56.05033	5.2
57.05878	0.4
57.07069	6.6
58.02938	0.7
58.06593	0.8
60.04517	83.6
62.21384	0.4
65.03934	0.7
67.05499	16.0
68.05013	0.8
69.03426	0.8
69.07059	13.7
69.07420	0.9
70.02960	0.5
70.06595	3.2
71.05541	1.4
71.08618	3.4
72.04507	5.2
74.06085	2.3
79.05486	9.5
80.05013	1.5
81.03418	3.9
81.07047	18.0
82.06568	2.9
83.04972	1.4
83.08610	9.9
84.08129	1.6
85.02909	1.2
85.10179	1.5
86.06078	2.4
86.09685	0.6
88.07615	0.6
90.05542	3.0
91.05463	9.1
91.55639	0.5
93.07030	11.1
93.07575	0.9
94.06557	5.7
95.04946	2.9
95.07342	2.0
95.08595	18.0
95.09187	1.1
96.08132	2.4
97.02848	0.5
97.06537	1.5
97.10151	6.3
98.06073	2.0
98.91414	0.5
99.06831	0.7
100.07600	0.7
102.05525	0.5
105.07023	7.8
107.08592	6.5
108.08128	2.0
109.06519	1.4
109.10128	6.9
110.09693	0.8
111.08083	1.4
111.11717	1.7
112.07609	0.9
116.07108	0.6
119.08572	7.6
121.10134	6.7
122.09681	1.4
123.08064	1.7
123.11683	2.6
133.10112	5.7
135.11679	4.0
136.11214	0.7
137.09634	1.3
137.13217	1.2
147.11618	2.4
149.13271	1.3
161.13278	1.7
163.14833	0.6
167.30263	0.5
175.14842	1.0
184.07382	1.2
219.21040	1.1
233.22534	1.1
234.22063	1.1
238.25394	0.6
245.22636	3.6
250.25322	3.9
252.26920	1.0
262.25278	32.4
263.23505	4.1
263.26178	0.8
266.24899	0.9
268.26340	1.7
272.25851	5.4
277.50174	0.5
278.24796	0.5
280.26306	27.7
298.27371	9.4
311.93384	0.5
314.26859	3.1
316.28577	1.7
344.28015	1.8
398.82098	0.6
463.28021	0.6
516.47748	3.8
517.47748	0.5
534.48798	14.8
535.49097	1.1
536.24213	0.6
552.49835	100.0
553.50244	5.9
570.50885	47.7
570.57855	0.8
571.51184	3.2
714.53845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.4
57.03441	0.2
69.03416	0.3
71.47198	0.2
73.02921	0.5
85.02885	0.8
89.03896	0.6
96.92591	0.2
97.02901	0.4
98.97577	0.4
107.04934	0.2
116.98624	0.3
117.03369	0.6
119.04935	0.2
127.03875	0.3
128.98653	0.3
135.04391	1.8
145.02768	1.0
147.04428	0.5
151.03729	0.2
161.01208	0.5
163.03889	9.7
164.04239	0.5
170.50854	0.2
170.99628	0.2
177.00748	0.3
179.03192	0.7
182.03247	0.2
185.02167	1.2
187.04532	0.3
189.00769	0.2
191.03879	0.4
197.04253	1.2
200.04449	0.3
204.00111	0.2
215.05292	3.8
219.01741	0.4
221.02898	1.8
237.02876	0.2
238.23207	0.2
239.03990	0.6
255.01781	0.2
257.05084	0.3
261.02725	0.5
271.04590	0.7
273.02835	0.2
279.03940	0.2
281.07126	0.5
281.57202	0.2
289.05508	0.4
331.07538	0.4
349.07565	0.3
352.36084	0.2
359.07407	1.2
362.09875	0.4
362.59799	0.6
365.04672	0.2
377.08392	100.0
378.08795	2.8
393.05612	0.3
395.08047	0.6
437.09201	1.1
539.10400	0.6
551.12329	0.3
557.11328	0.7
731.15704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
56.05027	0.6
57.03432	0.1
58.06305	0.1
58.06616	0.5
59.07381	0.1
60.08154	6.4
61.21330	0.1
67.05489	0.7
69.07070	0.2
69.94511	0.1
70.06577	0.2
71.04972	0.1
71.07363	3.5
71.08601	0.1
71.79570	0.1
79.05473	0.4
80.97379	0.1
81.03414	0.1
81.07041	0.5
83.04964	0.1
83.08582	0.1
86.09692	32.1
87.10026	0.3
91.05478	0.3
93.07022	0.4
95.04991	0.1
95.08606	0.3
98.98450	2.8
102.69634	0.1
104.10723	2.5
105.07030	0.2
107.08562	0.2
109.10132	0.2
119.08588	0.2
121.10166	0.1
124.99984	21.1
131.08507	0.1
133.10094	0.1
135.11707	0.1
143.01048	0.3
145.10146	0.1
151.11241	0.1
164.89244	0.1
166.02666	0.1
167.61549	0.1
174.07742	0.1
184.07310	100.0
185.07645	0.6
238.17827	0.1
255.77795	0.1
335.25671	0.1
520.33728	0.1
545.38251	0.2
730.46405	7.3
731.46143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.1
56.05033	0.7
58.06622	0.5
59.07373	0.1
60.08154	6.0
67.05503	0.4
69.07021	0.1
69.96875	0.5
70.06555	0.1
70.71255	0.1
71.07363	3.1
79.05486	0.1
81.07030	0.2
83.08612	0.1
86.09693	29.2
87.10034	0.2
91.05462	0.1
92.12755	0.1
93.07008	0.2
95.08578	0.1
97.10199	0.1
98.98453	2.8
104.10725	2.2
105.07026	0.1
107.08611	0.1
116.99497	0.1
119.08555	0.1
124.99983	20.1
143.01012	0.3
162.60307	0.1
166.02585	0.2
184.07317	100.0
185.07681	0.7
274.05991	0.1
310.19971	0.1
617.94867	0.1
730.46417	6.4
731.46533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01865	0.7
55.05505	0.8
57.03431	1.8
59.04979	0.7
61.02914	4.3
61.38940	0.2
67.05500	2.3
69.03426	2.7
69.07059	0.9
69.44720	0.6
69.45129	2.2
71.01349	0.3
71.04973	1.4
73.02905	3.3
79.05482	2.8
83.04966	1.0
83.08595	1.8
85.02893	4.8
85.06544	0.3
87.04460	0.7
91.03945	2.4
91.05470	3.9
93.07029	2.9
95.04950	2.1
95.08598	1.0
97.02884	3.9
97.06531	0.9
97.10194	0.3
99.04438	0.9
101.02377	1.9
102.04996	0.3
103.03938	0.2
105.07027	3.0
107.04936	0.5
107.08596	1.2
109.02869	0.7
109.06506	0.6
109.10134	0.6
111.08075	0.6
113.05986	0.4
115.03974	0.4
117.07043	0.3
119.08561	2.3
121.10136	2.1
123.04435	0.5
123.08011	0.4
123.11658	0.3
127.03887	1.4
127.07455	0.3
128.04343	0.3
129.05498	0.4
129.07021	1.2
131.08542	1.9
133.06499	0.5
133.10115	1.8
137.09535	0.3
145.05020	0.3
147.08052	0.4
147.11685	1.9
149.09612	2.1
157.10156	1.6
165.12749	0.6
175.11163	1.2
184.07271	0.5
185.04280	0.4
193.12198	3.5
197.15375	0.3
203.05217	0.3
211.13251	0.7
225.14870	0.8
243.08377	3.1
251.12605	1.4
267.15811	1.5
283.15134	4.5
285.16919	0.4
307.15216	0.7
339.17749	0.7
469.20401	11.3
470.20953	0.3
470.88605	0.3
499.12994	0.3
501.23013	12.5
539.45355	0.3
549.30481	0.4
567.31390	0.6
711.32336	0.5
729.36578	100.0
730.37170	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	728.457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03936	3.6
53.74236	1.4
55.01849	3.5
55.05503	24.3
57.03427	22.2
57.07051	4.3
60.08138	2.5
61.02908	3.6
65.03917	3.2
67.05493	76.2
69.03413	2.5
69.07059	23.0
70.40005	5.8
71.01333	3.9
71.04969	5.5
79.05480	70.0
79.36582	1.3
81.03407	8.1
81.07047	50.0
83.04976	9.1
83.08606	9.1
85.02895	3.4
85.06506	5.5
86.09697	7.1
91.05466	63.0
93.07028	84.7
95.04939	9.6
95.08595	30.8
97.02869	2.4
97.06513	13.7
97.10146	15.5
99.08096	2.7
105.07012	66.8
107.04922	2.6
107.08574	55.7
109.06509	2.9
109.10121	16.1
111.08067	3.9
115.05421	2.3
117.06993	19.4
119.08566	55.2
119.09427	2.7
121.06516	2.6
121.10117	25.5
123.08054	2.1
123.11691	2.7
124.99989	6.7
125.09622	4.8
129.06961	12.0
130.07822	1.6
131.08548	23.8
133.10112	45.5
135.08052	3.3
135.11670	65.7
137.09544	2.7
142.07698	1.6
143.08572	10.1
145.10097	29.9
147.08055	1.3
147.11661	40.6
148.11986	1.6
149.09615	2.2
149.13242	11.2
151.11133	2.9
155.08524	2.8
157.10147	8.5
159.11659	17.5
161.13240	26.6
163.11116	10.1
163.14783	3.2
165.12782	2.7
169.10071	2.3
171.11662	12.8
173.13226	11.4
175.14777	13.1
181.10559	1.4
181.12212	11.8
183.11728	2.2
184.07314	29.6
185.13202	11.9
187.14844	3.0
189.16406	2.1
199.13202	3.8
199.14803	4.8
201.16396	2.1
213.16368	1.5
215.12561	1.5
231.21074	6.9
241.19481	36.7
242.19977	1.4
243.21062	1.8
253.14328	15.6
255.15886	100.0
256.16214	2.9
257.19135	1.5
259.20535	99.4
260.20831	2.6
261.22067	1.9
315.23129	6.2
333.24200	51.7
385.29288	1.5
403.29861	1.8
421.30997	9.2
439.32043	7.5
457.33310	2.0
495.34512	4.2
503.36938	3.6
508.21503	1.5
513.35687	84.2
514.35980	3.4
531.36707	29.1
728.44586	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	728.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05025	0.5
58.06613	0.5
59.07372	0.1
60.08154	6.2
61.23289	0.1
62.20710	0.1
63.45087	0.1
67.05480	0.4
69.07044	0.2
70.06587	0.1
71.07360	2.9
71.80657	0.1
76.62280	0.1
78.06905	0.1
78.71194	0.1
79.05474	0.4
80.97384	0.1
81.07027	0.4
83.08597	0.1
86.09692	31.4
87.10023	0.4
91.05462	0.2
93.07024	0.3
95.04952	0.1
95.08587	0.3
98.98449	2.7
98.99094	0.2
104.10729	2.2
105.07018	0.2
106.07349	0.1
107.08573	0.2
119.08559	0.2
124.99983	20.0
126.00329	0.2
126.95560	0.1
133.10153	0.1
143.01022	0.3
166.02715	0.1
184.07312	100.0
185.07675	1.2
277.72491	0.1
304.66174	0.1
422.91006	0.1
486.86746	0.1
530.35706	0.2
531.35980	0.4
594.62073	0.1
710.43475	0.1
728.44867	5.6
729.45270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.1
55.05507	0.5
56.05024	0.6
57.03408	0.1
57.07054	0.2
58.06616	0.4
59.07372	0.2
60.08152	6.5
67.05482	0.9
68.05816	0.1
68.11256	0.1
69.07051	0.5
71.04946	0.1
71.07359	3.0
71.08615	0.2
79.05478	0.6
81.03418	0.5
81.07037	0.8
83.04950	0.1
83.08598	0.4
86.09689	29.1
87.10017	0.4
88.36211	0.1
91.05454	0.6
91.56138	0.1
93.07040	0.6
95.04972	0.1
95.08575	0.5
97.10150	0.2
98.20708	0.3
98.98444	2.7
104.10733	2.0
105.07041	0.5
107.04935	0.2
107.08579	0.5
109.06510	0.1
109.10155	0.5
119.08556	0.3
121.06491	0.1
121.10111	0.3
123.11676	0.1
123.22923	0.1
124.99981	19.2
126.00362	0.2
131.08493	0.2
133.10107	0.3
135.08015	0.1
135.11624	0.3
137.05882	0.1
143.01018	0.3
145.10132	0.1
151.11192	0.1
166.02623	0.3
184.07306	100.0
185.07652	1.0
227.12617	0.1
253.14294	0.2
271.15375	0.4
335.25821	0.4
439.32187	0.1
466.22202	0.2
471.76404	0.1
503.37180	1.0
531.36731	0.4
599.50067	0.1
728.44751	5.2
729.44849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.5
57.03436	0.1
58.06619	0.4
59.07387	0.2
60.08157	6.3
61.08451	0.1
67.05478	0.4
69.07070	0.1
69.63789	0.4
69.64211	0.6
71.07362	3.2
79.05470	0.3
80.25945	0.1
81.03394	0.2
81.07040	0.4
81.42863	0.1
86.09695	31.3
87.10024	0.3
91.05415	0.2
93.07028	0.3
95.08583	0.3
98.98450	2.9
104.10728	2.2
105.07014	0.2
107.08588	0.1
108.53817	0.1
119.08522	0.2
124.99985	20.4
126.00323	0.2
131.08514	0.2
135.11661	0.2
143.01045	0.3
146.19954	0.1
159.47319	0.1
166.02678	0.2
184.07318	100.0
185.07686	1.1
518.32233	0.2
663.75397	0.1
710.44611	0.1
728.44855	6.4
729.45380	0.5
750.13684	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	728.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05490	0.4
56.05016	0.6
57.03429	0.3
57.07047	0.2
58.06362	0.2
58.06629	0.4
60.07847	0.3
60.08156	5.7
67.05490	1.0
69.07053	0.3
71.06956	0.2
71.07362	3.1
71.08625	0.2
71.40871	0.1
71.81163	0.2
71.81571	0.3
73.37429	0.1
75.66183	0.1
79.05470	0.5
81.03404	0.6
81.03832	0.1
81.07059	1.1
83.08604	0.4
86.09695	27.7
87.10010	0.3
88.53783	0.2
91.05470	0.5
93.07036	0.6
95.04992	0.3
95.08591	0.6
97.06496	0.2
97.10139	0.2
98.98457	2.6
104.10728	2.1
105.07030	0.4
107.04951	0.2
107.08598	0.3
109.10141	0.3
115.36523	0.2
117.06994	0.3
119.08521	0.3
121.06600	0.2
121.10134	0.3
124.99989	19.2
128.86330	0.2
133.10146	0.2
136.61516	0.1
137.09648	0.2
142.34464	0.1
143.01031	0.4
149.09630	0.1
151.11241	0.2
166.02654	0.2
184.07321	100.0
185.07672	1.0
215.37042	0.2
271.15442	0.4
293.21201	0.4
335.25735	0.2
503.37445	0.8
531.36865	0.2
561.37781	0.3
728.44849	5.6
729.44818	0.7
748.21942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01865	1.4
55.05502	4.3
57.03428	4.7
57.07052	0.3
59.04979	1.2
61.02905	0.8
62.02129	0.3
65.03929	0.6
67.05495	26.5
69.03417	1.9
69.07055	2.9
69.44922	3.5
71.04984	10.0
73.02904	0.3
73.06529	0.3
79.05022	0.5
79.05483	9.3
81.03405	18.4
81.07047	11.8
81.07449	0.2
81.07545	0.4
83.04962	2.6
83.08608	6.0
85.02882	1.4
85.06525	1.3
87.04450	0.7
91.03930	0.5
91.05465	10.8
93.07033	9.5
93.07489	0.2
95.04950	10.2
95.08594	6.7
97.02876	1.5
97.06530	2.4
97.10162	3.6
99.04443	0.5
99.08081	0.8
103.03947	0.3
103.05457	0.3
105.07017	6.3
107.04934	6.5
107.08578	7.0
109.02840	0.3
109.06503	6.4
109.10139	19.5
110.06869	0.3
110.10510	0.4
111.04416	0.7
111.08068	2.4
115.05450	0.5
117.07009	3.1
119.04908	0.3
119.08565	8.4
120.08878	0.3
121.06487	5.7
121.10117	3.4
123.08037	2.2
123.11703	0.4
125.00005	0.4
125.09614	3.0
127.03909	0.4
128.06201	0.4
129.05495	0.4
129.06987	3.7
131.04907	0.7
131.08551	5.5
133.06479	1.2
133.10107	3.7
135.08035	3.9
135.11685	4.1
136.94937	0.3
137.06000	0.3
137.09598	3.8
139.11192	0.5
141.06996	0.5
142.07771	0.9
143.08543	1.4
145.06483	2.0
145.10083	3.9
147.08037	2.3
147.11646	2.7
149.09586	2.3
149.13248	0.6
149.99516	0.3
151.11162	0.5
153.09093	0.8
155.08577	1.4
155.10628	1.2
157.06471	0.5
157.10098	3.3
159.07994	0.8
159.11642	1.5
161.09583	1.2
163.11203	2.6
165.12720	0.8
167.08592	0.6
167.10689	1.1
169.10175	0.9
169.12270	0.4
169.25972	0.3
171.08121	0.4
171.11671	1.0
173.09590	0.8
173.11716	3.4
173.13260	1.9
175.11201	2.7
177.12746	0.6
181.10173	0.4
181.12228	0.5
183.11758	0.7
184.07251	0.5
185.09619	0.8
185.13228	1.3
187.11157	0.8
187.14847	0.4
189.09209	0.7
189.11185	1.4
189.12726	0.6
191.14293	1.9
193.12204	4.8
195.11627	0.4
197.13312	0.6
199.11116	0.5
201.12790	0.8
203.10638	1.1
203.12578	0.3
203.14284	1.4
205.12236	1.2
211.13249	1.0
213.12741	0.9
219.13789	3.3
221.15327	0.6
223.13162	0.7
225.12738	0.3
227.12698	0.7
229.14337	0.8
231.13791	0.8
235.13237	0.4
237.14803	0.5
243.15929	1.3
245.15324	0.5
249.14948	1.2
253.14293	0.8
255.15898	1.2
257.15387	0.6
261.14880	0.4
267.15900	8.0
268.16370	0.5
269.17508	0.4
273.14948	0.6
275.16400	1.0
282.21213	0.3
285.16849	0.7
287.18539	3.5
301.13940	0.5
301.21570	0.5
311.20117	1.5
327.23117	0.3
329.21085	5.4
335.18671	0.4
337.21576	1.1
339.23163	0.5
347.22009	0.7
355.22668	3.1
357.24234	0.6
369.23685	0.4
373.23721	0.5
393.24203	0.5
403.24792	2.9
411.25323	1.1
421.25790	13.0
422.25912	0.4
425.25305	0.5
426.26257	0.4
429.26260	7.2
435.27399	0.7
447.27359	100.0
448.27841	4.5
461.29019	3.7
479.29993	4.7
511.30713	0.4
521.31024	0.5
546.30664	0.8
555.29462	0.5
564.31622	3.3
565.31726	0.5
573.30463	0.8
575.32056	0.3
587.32257	0.4
591.31036	0.4
605.33148	0.9
623.34180	0.7
726.35083	0.4
727.20496	0.5
727.34137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.1
51.52044	1.2
53.03936	5.8
55.01870	6.8
55.05502	21.0
57.03432	24.6
57.07064	3.7
59.04985	2.4
61.02919	31.2
65.03925	2.6
67.05497	75.3
68.05823	1.5
69.03420	16.5
69.07059	30.3
69.91721	1.1
70.01408	6.3
70.06587	1.5
71.04979	9.7
73.02908	12.3
75.04455	2.4
79.05486	66.1
81.03407	28.2
81.07047	87.9
82.07372	2.7
83.04973	17.1
83.08161	1.9
83.08607	19.9
84.08948	1.0
85.02895	46.4
85.06549	5.3
86.09695	2.7
87.04457	3.0
91.03947	26.9
91.05468	62.8
92.05788	1.9
93.07032	92.5
94.07362	2.6
95.04961	19.3
95.08595	42.9
95.09199	2.4
97.02885	26.8
97.06516	18.1
97.10163	7.1
99.04440	4.5
99.08066	8.6
101.02337	2.1
103.03930	2.3
103.05428	1.5
105.07018	54.7
105.30155	1.0
107.04951	8.2
107.08582	52.1
109.02860	4.0
109.06506	7.7
109.10154	18.6
110.10531	1.3
111.04436	2.4
111.08079	8.5
113.09647	1.9
115.03912	3.4
115.05453	2.4
117.07011	20.1
119.08569	43.0
121.06486	4.1
121.09256	2.0
121.10130	35.4
123.04450	1.3
123.08047	6.5
123.11694	5.5
125.09640	5.3
127.01367	1.0
127.03891	17.1
129.05484	7.7
129.06969	11.9
131.04936	1.6
131.08553	24.3
133.06482	2.4
133.10114	41.8
134.10405	1.3
135.08047	5.0
135.11678	31.3
137.09630	3.8
137.13268	1.0
139.11166	2.0
141.06972	2.8
143.08565	9.2
145.04953	13.9
145.06474	1.7
145.10098	20.0
147.08040	2.7
147.11668	27.6
149.09610	15.2
149.13234	29.2
151.11180	4.2
153.09045	1.3
155.08508	1.4
157.10121	8.2
159.10361	2.0
159.11681	29.7
161.09578	2.5
161.13242	17.2
163.06039	10.5
163.11176	9.0
163.14801	4.3
165.09232	1.1
165.12726	1.8
169.10130	4.0
171.10222	2.5
171.11674	10.1
173.04456	2.1
173.11826	2.3
173.13190	9.8
175.11177	4.7
175.14804	7.6
177.12756	14.4
179.14288	3.2
183.11690	2.5
184.07333	6.1
185.13242	9.3
187.14789	1.5
189.09177	1.4
189.11200	2.5
189.12740	1.5
191.14288	1.8
193.12204	7.0
195.13806	10.6
197.13344	1.6
199.14850	5.5
203.14137	1.4
207.40268	1.0
211.13182	1.8
213.14693	1.6
213.16475	2.5
215.17966	1.5
217.15822	1.7
219.13745	1.5
223.13112	1.1
225.11171	1.4
227.12758	3.8
229.14268	3.7
229.19559	2.4
231.17264	1.5
231.21136	2.7
235.16823	1.1
239.17902	3.7
241.19460	15.0
243.12216	2.3
245.13890	1.5
247.20630	2.3
251.98814	1.1
255.15948	3.1
257.19061	6.1
259.20572	38.4
260.20850	1.6
267.15875	13.7
269.17450	100.0
270.17792	3.8
275.20013	20.6
277.21613	2.9
281.17496	3.9
283.15427	1.6
285.17239	2.0
291.19492	1.2
293.21155	1.6
300.05417	1.1
309.20651	1.6
313.21872	1.4
315.23566	1.2
331.22519	1.2
333.24222	8.5
335.18582	1.4
349.23724	31.8
351.25266	89.6
351.60196	1.1
351.64532	1.3
352.25739	3.1
363.25323	1.2
367.24747	1.5
375.25150	1.4
391.24561	1.4
395.20621	1.7
413.21436	2.1
431.22885	2.2
435.27197	2.7
441.26010	3.1
447.27380	3.7
453.28131	2.7
459.27304	2.7
461.28989	25.9
477.28519	3.1
479.30026	8.6
495.29355	7.4
511.32590	6.0
551.02039	1.1
726.33307	1.9
727.34369	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	726.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93545	0.4
53.03929	1.3
55.01865	3.8
55.05502	19.2
56.41728	0.4
57.03161	0.8
57.03426	11.5
57.07035	0.6
58.06585	0.9
59.04982	2.0
59.07339	0.6
60.08151	4.3
61.02921	2.7
65.03915	0.7
65.28498	0.4
67.05494	38.5
69.03407	2.9
69.07051	6.0
69.64114	0.4
70.40708	1.8
71.01316	0.6
71.04980	3.9
71.07341	2.0
73.02902	1.2
74.20363	0.5
74.34511	0.5
76.85068	0.4
77.03908	0.4
79.05480	20.6
80.05822	0.6
81.03403	32.1
81.07043	22.1
81.13140	0.5
82.03704	0.5
82.07366	0.6
83.04965	9.8
83.08607	14.2
83.42559	0.5
85.02894	15.2
85.06535	2.4
86.09691	25.2
87.04451	3.5
91.03949	1.1
91.05466	21.9
92.05815	0.6
93.07032	13.4
95.04951	14.3
95.08588	8.9
97.02875	3.2
97.06515	3.4
97.10153	12.1
98.98441	2.3
99.04417	0.4
99.08060	1.1
100.75597	0.4
103.03909	0.8
103.05467	0.7
104.10744	2.4
105.07012	13.1
107.04939	5.6
107.08572	8.7
109.02822	0.5
109.06490	4.1
109.10139	25.1
110.10496	0.7
111.04407	2.0
111.07384	0.7
111.08074	6.6
113.05991	1.1
115.05445	1.0
117.07016	2.7
119.08562	12.3
121.06483	1.6
121.10130	9.4
123.04440	0.8
123.08031	2.1
123.11658	1.1
124.99989	16.8
125.09614	8.9
127.03869	1.0
127.07513	0.5
129.05438	1.4
129.06990	5.9
131.08545	8.1
133.06467	1.8
133.10110	8.8
133.11021	0.9
134.10414	0.8
135.08058	1.2
135.11658	1.9
137.09561	2.1
139.11166	0.7
142.07739	1.8
143.10646	1.0
145.10098	3.2
147.04300	0.5
147.08014	1.8
147.11658	9.1
149.08496	0.6
149.09592	5.5
150.10007	0.6
151.11139	0.9
153.09079	0.5
153.12740	1.2
155.10657	1.7
157.10091	8.2
159.11591	0.7
161.09557	0.5
163.11134	4.0
165.12735	1.8
167.07062	0.6
167.10632	0.6
173.11720	8.9
175.11153	8.0
181.12129	0.9
184.07315	100.0
185.07674	1.4
189.11200	1.0
191.10692	1.0
193.12218	25.8
194.12512	0.8
199.13257	5.1
205.12149	0.5
209.11662	1.8
211.13263	35.7
212.13568	0.8
217.14323	0.8
222.08861	0.7
226.68799	0.5
227.12733	4.7
229.14316	28.0
230.14560	0.9
245.13771	0.6
249.14752	1.1
267.15887	22.2
267.18799	1.1
268.16299	1.0
277.14426	0.6
283.15393	4.1
285.16922	26.9
286.17279	1.0
287.14816	2.9
301.16431	9.1
313.16541	0.7
319.17596	0.8
349.23712	0.6
367.24704	0.8
401.23306	0.9
409.25797	2.1
419.24301	0.6
421.25821	6.5
427.27090	2.6
439.26849	24.4
440.26981	1.4
447.27390	1.5
459.27405	1.2
460.27463	0.7
461.28912	2.8
475.26709	2.8
477.28430	0.8
478.28867	1.0
479.29324	3.0
493.27786	4.7
511.28912	10.5
529.29993	4.4
568.08905	0.6
622.33136	1.0
676.34351	9.7
677.34943	0.6
693.71271	0.6
726.37207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
53.04171	1.2
55.01861	13.2
55.05499	39.5
55.54955	0.8
55.75148	0.8
56.68116	0.8
57.03163	1.7
57.03427	26.1
57.07060	1.9
59.05001	4.4
61.02915	5.0
65.03919	3.0
67.05493	79.4
69.03425	8.5
69.06699	1.1
69.07057	16.5
69.23754	0.8
70.07397	1.0
70.91302	2.7
71.01344	2.8
71.04980	9.6
73.02892	4.3
76.44997	0.9
79.05479	49.4
81.03403	100.0
81.07040	47.0
82.03733	1.1
82.04182	2.9
82.07394	0.9
83.04964	28.2
83.08606	36.3
85.02888	26.2
85.06533	4.4
86.09698	2.4
87.04467	5.3
91.03941	1.6
91.05463	45.0
92.05786	1.8
93.07029	35.6
94.07352	1.2
95.04952	39.7
95.08590	20.9
97.02867	10.9
97.06519	11.5
97.10152	26.1
98.07284	2.3
99.04406	1.9
99.08066	3.8
101.02370	1.3
101.06012	1.1
103.03931	0.9
103.05437	1.0
105.07014	31.3
105.07723	1.8
107.04935	18.0
107.08576	27.0
109.02854	2.0
109.06504	9.4
109.10136	45.0
111.04433	10.5
111.08064	17.7
113.05996	2.0
115.05423	2.5
116.04697	6.4
117.05476	2.4
117.07001	8.6
119.04883	2.2
119.08557	29.2
121.02834	2.8
121.06482	5.2
121.10126	16.1
123.04430	2.7
123.08075	6.9
123.11684	2.1
124.60676	0.9
125.00011	2.5
125.05930	1.8
125.09605	22.1
127.03947	1.2
127.07504	2.0
127.11185	1.7
128.06200	1.1
129.05470	15.3
129.06969	15.4
131.04892	1.7
131.08546	22.6
133.05582	1.1
133.06465	5.4
133.09174	1.4
133.10114	17.6
135.04414	2.4
135.08031	4.1
135.11670	11.6
137.05850	1.4
137.09567	5.5
138.26189	0.9
139.11137	1.4
142.07732	4.8
143.07033	3.6
143.08548	1.1
143.10651	2.8
145.06422	1.9
145.10086	11.9
147.04388	1.8
147.08041	6.7
147.11655	18.6
147.12740	1.7
148.12064	1.0
149.09593	11.7
153.09076	1.0
153.12708	12.3
155.08498	1.6
155.10620	2.8
157.08586	6.2
157.10104	18.0
159.11710	2.2
161.09520	1.1
163.11150	17.0
165.12741	5.7
167.10655	1.1
171.10121	2.8
173.09572	3.2
173.11702	16.0
173.13101	1.4
175.07675	0.9
175.11159	20.3
176.11632	0.9
181.12189	11.3
183.11728	1.3
184.07332	7.1
185.11681	1.4
185.13199	1.2
189.11247	10.9
191.10655	8.0
193.12212	60.7
194.12494	1.1
199.13255	8.5
200.14088	1.2
201.12822	2.1
201.14737	1.8
205.12274	1.4
209.11729	10.8
210.12177	1.1
211.13251	66.4
212.13622	1.9
217.14272	1.3
219.13736	1.4
223.13231	1.1
227.12747	29.2
229.14316	53.1
230.14616	1.4
231.13719	3.0
241.14525	1.0
245.13808	2.4
247.13243	16.8
249.14832	3.6
255.15840	3.3
257.19009	2.2
259.13144	1.6
265.14362	3.0
267.15878	71.0
268.16214	2.6
273.14923	1.1
275.19974	3.5
283.15314	16.6
285.16901	47.2
286.17200	2.1
301.16422	34.6
302.16888	1.5
306.43738	0.9
309.16946	1.2
321.16922	5.3
339.17978	2.1
349.19781	1.3
349.23669	14.1
365.21048	1.4
383.22076	4.5
399.24020	1.1
401.23151	2.2
409.25693	4.3
419.24301	1.1
421.25580	8.9
427.26755	4.3
439.26855	44.7
440.26813	1.5
457.25827	1.6
458.26270	1.9
459.27164	3.2
460.27530	1.9
461.28384	4.8
465.28317	1.2
475.26794	15.8
476.27222	2.9
478.28876	1.3
479.29034	1.6
493.27863	31.0
494.27979	2.1
511.28903	19.0
529.30078	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	726.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
54.83241	1.1
55.01857	10.6
55.05501	50.5
56.05825	1.1
57.03169	1.7
57.03429	28.1
57.07063	1.6
59.04978	3.8
61.02920	6.4
65.03919	4.3
67.05492	83.2
68.05825	1.1
68.45103	1.0
69.03418	9.1
69.07055	15.6
70.09953	0.9
70.41798	1.1
71.01331	2.7
71.04981	8.9
71.17493	2.9
73.02885	2.4
78.04667	1.1
79.05478	53.9
81.03403	100.0
81.07043	53.8
81.07447	0.7
81.07549	0.9
82.04169	1.8
83.04967	28.3
83.08113	1.9
83.08606	34.8
85.02891	37.6
85.06528	4.7
86.09682	2.7
86.43631	1.0
87.04445	7.3
91.03922	2.4
91.05467	51.7
92.05792	1.6
93.07027	35.5
94.07345	1.2
95.04953	40.8
95.08585	21.8
97.02872	12.7
97.06525	9.8
97.10152	26.4
98.07326	2.0
99.04451	1.9
99.08071	3.7
103.03922	2.7
103.05477	1.5
105.07010	32.3
107.04935	16.5
107.08572	21.9
109.02809	1.8
109.06484	8.4
109.10136	55.4
110.10457	1.2
111.04430	10.2
111.08058	18.1
111.68373	0.9
113.05981	3.9
115.05417	2.3
116.04713	4.2
117.05505	1.7
117.07008	5.9
119.04887	1.4
119.08563	32.4
121.02888	1.4
121.06527	4.8
121.10116	17.5
123.04404	2.9
123.08049	5.4
123.11703	2.8
125.05978	1.3
125.09606	20.4
127.03892	1.8
128.06181	2.8
129.05486	11.7
129.06975	14.4
131.07565	1.1
131.08537	20.9
133.06467	4.3
133.10117	18.1
135.04416	1.6
135.08037	3.5
135.11658	9.0
137.05919	1.6
137.09581	5.4
139.03879	1.6
142.07805	4.9
143.07008	2.7
143.10632	2.6
145.04993	0.9
145.06499	1.9
145.10112	8.7
147.08046	5.0
147.11656	20.7
149.05904	1.7
149.09576	10.0
149.13261	1.1
151.11209	1.5
153.09071	2.1
153.12727	10.0
155.08507	1.9
155.10631	2.9
157.08606	5.9
157.10109	20.6
158.05782	1.2
161.09612	1.5
163.11163	14.4
165.05399	1.1
165.12698	3.7
171.10164	1.9
173.09576	3.2
173.11723	18.3
173.13135	2.1
175.11145	25.6
181.12213	10.6
184.07314	7.5
189.09521	1.1
189.11201	6.4
191.10632	7.0
193.12212	65.6
199.13264	10.4
209.11676	12.8
210.12059	1.0
211.13252	79.0
212.13622	3.4
217.14221	1.9
219.13800	2.4
223.13087	1.2
227.12755	26.5
229.14323	66.6
230.14819	1.1
231.13670	1.8
245.13745	2.1
247.13246	11.5
249.14830	2.5
265.14194	3.2
267.15869	64.1
268.16278	2.3
283.15378	17.1
285.16922	56.3
286.17258	2.3
301.16440	36.7
309.16870	1.5
313.16385	1.5
318.16891	1.7
319.17313	1.0
321.16867	4.9
348.21213	1.0
355.22400	1.0
365.20901	1.2
383.22092	3.4
401.23184	2.2
409.26141	4.6
421.25812	12.8
427.26926	5.5
439.26852	43.6
440.27097	2.0
447.26929	1.2
457.25644	2.3
459.27225	2.3
461.27969	1.7
475.26804	13.9
476.27487	1.5
493.27927	25.4
494.28363	1.8
511.28955	26.1
512.29413	1.6
529.29993	8.4
535.28571	1.1
564.31384	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86934	0.1
55.05499	0.4
55.28934	0.1
56.05017	0.4
57.07067	0.2
58.06615	0.4
59.07393	0.1
60.08155	5.6
61.08509	0.1
67.05495	0.7
68.05854	0.1
69.03407	0.2
69.07046	0.3
70.03214	0.2
70.03638	0.4
71.04980	0.1
71.07361	2.6
71.08611	0.2
79.05486	0.5
81.03406	0.3
81.07042	0.8
83.04964	0.2
83.08616	0.2
85.02901	0.1
86.09692	28.2
87.10024	0.3
91.05464	0.5
93.07041	0.5
95.04948	0.1
95.08589	0.4
97.02903	0.1
97.10184	0.1
98.98450	2.2
104.10722	2.3
105.07021	0.3
107.08567	0.3
109.10135	0.3
117.07031	0.2
119.08568	0.3
121.10123	0.3
124.99985	17.8
126.00336	0.1
127.11192	0.1
127.85995	0.1
128.22618	0.1
131.08565	0.1
133.10110	0.2
135.11624	0.2
143.01042	0.3
143.08568	0.1
145.10126	0.1
147.11681	0.1
157.10133	0.2
163.11328	0.1
184.07315	100.0
185.07684	1.4
186.07759	0.3
267.16031	0.1
328.74142	0.1
335.25983	0.1
351.22647	0.1
496.33502	0.2
527.37073	0.1
596.22461	0.1
688.45361	9.3
689.45569	0.6
706.42493	0.1
724.46277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01862	1.5
55.05501	14.3
57.03428	16.8
57.07063	2.2
61.02908	3.6
63.55525	1.5
65.03927	3.3
67.05495	53.9
69.03417	4.4
69.07064	13.7
71.01298	1.5
71.04993	2.3
79.05481	32.5
81.03404	80.7
81.07043	51.9
83.04963	5.9
83.08605	18.1
85.02892	6.7
91.03949	3.3
91.05469	29.3
93.07030	36.1
95.04949	25.2
95.08591	36.5
96.08897	1.6
97.02872	4.2
97.06534	5.2
97.10167	5.0
98.39882	1.5
105.07007	22.5
107.04922	5.6
107.08578	23.3
109.06474	3.8
109.10136	16.4
111.08094	8.1
111.08717	1.5
117.07003	6.4
119.08571	18.3
121.06551	3.7
121.10119	15.5
123.04399	1.8
123.08054	2.6
123.11668	8.4
125.09602	3.6
129.07025	8.4
131.08557	15.0
133.06476	2.2
133.10115	12.1
135.11670	12.0
137.09595	2.4
137.13199	2.6
145.10094	7.2
147.08017	3.8
147.11671	11.1
149.09511	3.7
149.13245	6.6
157.10059	7.7
159.11690	6.9
160.11214	1.8
161.13242	2.7
163.14806	2.9
173.13240	4.7
175.11180	6.6
184.07333	3.1
187.14754	3.1
189.11226	1.9
189.16362	2.0
193.12212	22.3
195.11549	1.5
197.13040	1.6
214.26430	1.6
227.12779	6.6
233.22592	1.8
243.21080	5.9
249.14841	2.4
258.09000	2.8
261.22083	18.3
267.15869	100.0
268.16312	4.3
277.84387	1.6
279.00192	1.6
301.25134	2.4
309.16910	3.8
317.24722	3.7
335.25745	85.6
336.26089	6.1
385.26263	1.8
421.25839	3.3
435.27127	2.1
435.32693	3.1
453.33716	4.6
471.34842	2.6
475.00162	1.6
527.37274	47.2
528.37744	5.5
545.38232	27.1
546.38690	3.9
569.38318	6.3
641.90930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10905	0.5
55.01858	2.4
55.05499	9.1
57.03167	0.8
57.03427	12.5
61.02907	1.0
65.03930	0.8
67.05491	15.1
69.03404	3.2
69.07056	4.1
69.77619	4.0
71.01283	0.5
71.04977	3.3
73.02877	0.5
79.05476	16.4
79.05939	1.0
81.03400	73.3
81.07041	15.4
82.03746	0.7
83.01271	0.4
83.04960	8.5
83.08604	19.0
85.02885	9.2
85.06513	1.5
91.05463	20.7
93.06444	0.5
93.07024	10.8
94.45206	0.5
95.04948	25.3
95.08583	6.0
96.05257	0.5
97.02874	2.9
97.06487	2.8
97.10141	5.3
97.95679	0.6
99.08082	0.8
105.07013	14.9
107.04939	7.0
107.05607	0.9
107.08577	6.4
109.06506	4.4
109.10132	3.8
111.04425	2.2
111.08058	10.1
113.05968	1.2
115.05424	1.5
117.06987	2.3
119.04932	0.7
119.08558	13.4
121.06490	3.2
121.10115	7.9
123.04414	0.6
123.08034	2.9
123.11675	0.7
125.06105	0.6
125.09612	3.3
129.06982	10.5
131.08543	9.7
133.06451	4.3
133.10106	6.6
135.08046	1.4
135.11649	0.9
137.05972	0.7
137.09592	1.1
141.06990	0.9
142.07748	1.9
143.08559	1.3
145.06482	3.5
145.10081	1.8
147.08049	4.2
147.11655	9.8
149.09576	6.0
153.09122	0.7
155.08527	1.0
157.10091	12.9
159.08141	0.5
159.11638	0.7
161.05930	0.7
163.11150	1.6
165.12720	2.6
169.10132	0.9
171.08032	0.6
171.11642	0.7
175.11151	13.3
182.23230	0.5
183.07986	0.6
185.09576	0.9
186.57208	0.6
187.11084	0.5
189.11111	0.9
193.12204	34.4
194.12553	1.1
195.11618	0.9
197.09724	0.5
197.13252	0.7
205.12149	1.0
206.87396	0.5
211.11313	0.8
211.13249	13.8
213.12790	0.6
215.14201	0.6
219.13791	0.5
227.12622	0.7
227.14581	0.6
229.14259	1.1
231.13835	0.5
233.15419	1.0
237.12650	0.8
249.14867	2.3
255.13701	2.5
267.15863	100.0
268.16116	2.4
273.14783	4.5
285.16901	13.2
286.17148	0.6
299.16110	0.6
334.93256	0.5
339.23233	0.8
341.21127	1.8
349.21567	2.6
367.22604	8.5
385.23633	10.0
403.24722	3.2
405.24051	1.0
415.24628	0.7
433.19907	0.9
433.25732	14.3
441.26230	6.3
459.27341	71.6
460.27972	2.4
477.28391	43.0
478.28802	1.4
491.30295	0.8
501.27750	1.0
519.29443	1.2
585.30078	1.0
603.31702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01862	15.2
55.05500	25.2
55.05751	1.1
57.03425	21.0
57.07071	3.8
59.04953	1.3
61.02915	5.8
65.03888	1.7
65.04201	0.4
66.04669	0.7
67.05492	37.7
67.05830	1.6
68.05811	0.5
68.06216	0.5
69.03417	7.1
69.07055	10.4
69.68767	2.4
69.69191	0.8
70.04164	0.8
71.01331	2.3
71.04980	3.5
73.02901	7.6
77.03828	0.5
78.03521	0.4
78.04674	0.6
79.05476	32.7
80.06229	1.1
81.03403	27.2
81.07040	26.8
82.04191	7.6
82.07782	0.8
83.01299	0.8
83.04964	16.5
83.08604	12.7
84.02106	2.6
84.05706	1.4
85.02892	7.3
85.06519	2.7
86.09648	1.9
87.04417	1.7
89.10490	0.4
91.03937	2.1
91.05463	23.6
92.06246	0.5
93.03344	0.5
93.07030	21.4
94.04169	0.8
94.07789	1.1
95.04951	25.8
95.08588	12.8
96.05700	1.9
96.09352	0.7
97.02330	0.6
97.02878	8.9
97.05961	0.7
97.06515	8.9
97.10152	22.4
98.07296	10.0
99.04398	1.6
99.08032	1.9
100.05177	0.6
101.02378	0.4
101.05979	1.1
103.03874	0.9
103.05423	1.0
104.06232	0.6
105.06351	0.7
105.07011	14.4
106.07806	0.5
107.04938	9.0
107.08572	17.1
108.05702	0.7
109.02818	0.9
109.06508	5.3
109.10137	15.4
110.07237	1.2
111.04417	3.3
111.08074	5.0
113.05949	1.3
115.03899	0.8
115.05387	1.7
115.07534	0.6
116.04692	19.1
117.05497	0.9
117.06995	6.0
119.07740	0.9
119.08556	14.6
120.09290	0.8
121.06501	3.3
121.10123	8.0
123.04373	1.0
123.07240	0.7
123.08053	8.5
123.11639	1.2
124.08804	0.5
124.99988	0.9
125.05968	0.9
125.09607	25.4
126.10403	0.6
127.03845	0.9
127.07491	1.0
127.11200	2.1
128.06168	0.8
129.05455	45.2
129.06892	6.4
130.05721	0.5
130.07751	1.1
131.04872	0.5
131.07660	0.5
131.08556	8.6
132.09283	0.5
133.06424	1.2
133.09181	0.7
133.10110	9.9
135.08025	4.7
135.11665	8.4
136.08830	2.0
137.05923	0.5
137.09590	4.3
138.10353	0.5
139.07498	1.0
139.11079	0.6
142.07700	1.3
143.07008	10.5
143.08235	0.8
143.08549	0.7
143.10609	2.1
145.04878	0.6
145.06468	1.1
145.10097	8.0
146.07254	0.6
147.08020	3.0
147.11670	8.0
149.09598	4.5
150.10051	0.6
151.11082	1.4
152.08206	0.4
153.09076	2.7
153.12726	2.7
154.09882	0.5
155.07024	0.5
155.08562	0.5
155.10579	1.0
157.08549	21.6
157.10059	7.3
158.05731	2.6
159.11684	0.6
161.09546	0.5
163.07468	0.5
163.11151	10.8
164.11951	2.0
165.12735	2.8
171.06543	2.5
171.10127	7.1
172.07280	0.6
173.09598	2.5
173.11714	5.2
175.11131	4.8
181.12199	3.9
183.06500	0.7
184.07291	5.2
185.07999	1.5
185.11673	2.2
189.11182	12.8
191.10620	3.7
192.11394	1.1
193.12209	8.5
194.12614	0.7
197.08028	0.5
199.09633	1.1
199.13249	12.0
200.14027	5.2
201.14813	1.0
209.09827	0.4
209.11685	6.7
210.12465	2.8
211.09605	1.1
211.13214	3.1
213.11250	0.9
213.14864	0.6
217.14349	2.6
223.13141	0.7
225.11235	0.6
227.12732	21.0
228.13228	0.9
229.14325	5.5
241.14259	0.5
242.14999	0.9
247.13278	0.9
249.14883	1.0
253.14345	1.2
254.15106	0.5
255.15930	2.1
255.88664	0.4
265.14252	1.2
267.15866	17.4
268.16266	1.3
269.17435	0.4
283.15369	12.5
283.18610	0.5
284.16074	2.4
285.16821	2.6
301.16403	100.0
302.16763	3.1
321.16916	0.8
326.24500	1.4
339.22650	0.4
355.17542	2.4
367.22775	1.0
369.22745	0.9
383.20773	1.0
385.23703	1.5
403.24579	0.7
408.24936	0.5
409.26056	0.8
421.25903	0.6
425.25336	1.3
428.12781	0.5
438.26126	0.8
443.26331	2.5
455.26260	8.4
459.27310	11.0
460.27911	1.2
475.26810	2.3
476.27451	1.6
477.28314	11.8
478.28946	0.6
493.27936	5.6
494.28180	0.6
495.29111	0.6
509.27151	4.1
510.28091	4.3
527.28442	59.1
528.28723	3.0
621.32721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01863	8.7
55.05503	26.1
57.03428	12.7
57.07056	2.9
59.04983	1.7
61.02910	4.4
61.03193	1.1
65.03915	1.8
67.05492	58.0
67.81265	1.1
69.03413	11.3
69.07056	22.0
71.04976	12.0
71.80535	1.1
73.02911	1.7
79.05025	2.1
79.05483	39.8
81.03407	25.5
81.07040	51.2
83.04974	9.4
83.08603	18.0
85.02888	9.5
85.06517	4.5
91.03944	1.7
91.05462	43.9
93.07027	40.0
95.04954	13.2
95.08591	35.5
97.02878	7.3
97.06496	9.3
97.10153	10.2
99.04453	1.8
99.08083	2.6
105.07017	38.0
107.04939	6.3
107.08572	21.2
109.02849	3.6
109.06500	5.8
109.10136	22.9
111.04453	1.7
111.08062	5.8
115.05449	3.0
117.06997	20.3
119.08566	33.9
120.08931	1.9
121.06477	3.6
121.10100	12.6
123.08036	5.4
123.11707	3.5
125.08738	1.5
125.09584	8.4
127.03899	4.0
127.32929	1.0
128.06238	4.3
129.05525	1.8
129.06982	17.1
130.07761	2.2
131.07635	2.2
131.08548	30.3
133.06441	4.8
133.10107	23.9
135.08032	5.3
135.11702	10.4
137.08681	1.1
137.09598	5.0
139.11131	1.7
140.03090	1.1
140.50710	1.3
141.06979	7.9
142.07756	4.6
143.08531	18.1
145.06409	2.0
145.10095	25.6
147.08015	2.6
147.11665	14.1
149.09599	4.9
149.13235	4.8
151.11131	3.4
154.07715	1.5
155.08510	11.1
156.09447	1.1
157.10109	20.4
159.08022	1.7
159.11655	14.7
160.12041	1.3
161.09615	2.8
161.13228	7.4
163.11166	3.9
165.06993	2.3
165.12814	1.3
167.08572	4.3
168.09239	2.5
169.10101	13.5
170.10709	1.4
171.11653	16.6
173.04425	4.8
173.09610	3.3
173.11722	3.9
173.13261	10.1
175.11172	3.6
175.14842	3.0
177.12788	1.4
179.08598	2.9
179.14302	1.7
181.10068	6.2
183.11665	11.3
184.07338	1.8
185.09499	1.6
185.13251	11.8
187.11237	2.4
187.13297	2.2
187.14751	6.6
189.11172	3.1
189.12717	2.3
191.67755	1.1
193.10071	3.7
193.12224	6.1
195.11685	7.5
195.13541	1.3
197.13232	9.4
199.14781	5.9
201.12723	1.8
201.16261	1.1
205.10085	1.5
205.12030	1.5
207.11668	3.2
208.12277	1.7
209.13321	5.3
210.13783	1.1
211.13057	5.5
211.14986	6.3
213.12790	2.1
213.16393	2.7
215.14397	1.4
215.17841	1.3
219.11678	1.7
221.13226	4.0
221.15300	1.3
223.14758	4.0
225.12749	1.7
225.16359	1.5
227.12749	3.1
227.17679	1.3
229.14209	6.4
233.13194	2.2
235.14854	2.2
237.16412	2.4
239.14226	1.6
239.18068	2.2
241.19472	4.9
243.15804	2.3
245.13541	1.2
257.19046	2.6
259.20560	11.2
267.15823	7.5
275.20050	8.5
277.21744	1.8
281.22729	1.5
285.16815	6.2
295.20547	1.9
297.22137	2.2
299.20145	1.9
299.23544	3.4
301.21600	1.9
313.21649	2.6
315.23233	3.4
321.22180	1.8
333.24173	6.4
339.22977	2.4
349.23715	4.5
351.24994	1.6
353.24652	1.5
357.23978	1.2
363.27063	1.3
367.26123	1.2
371.25912	2.5
379.26257	1.4
405.31512	2.3
415.29721	4.0
419.28519	1.8
423.32568	1.5
431.28519	1.2
433.31024	14.2
434.31302	1.7
445.29736	2.0
451.32040	11.2
454.78528	1.3
461.28781	1.4
463.30920	1.6
467.30988	1.2
469.33041	5.6
471.31223	4.1
485.32501	3.8
487.34174	2.1
489.32867	2.2
495.34256	1.3
499.34018	2.5
503.33414	4.6
507.34702	8.1
513.35834	2.2
515.37134	3.9
517.34875	4.1
525.35657	45.7
525.43671	2.2
526.35773	5.1
529.35358	6.2
543.36761	100.0
544.36975	12.5
561.37842	35.7
562.38202	3.0
593.32764	1.3
687.40936	2.5
705.41187	5.1
723.42175	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	723.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01323	0.1
53.03919	0.2
55.01839	0.4
65.03936	0.8
67.05472	0.5
69.03423	0.7
69.07037	0.2
70.06548	0.2
71.81979	0.2
77.03856	0.1
78.04696	1.1
79.05483	0.9
81.03388	0.4
81.07019	0.2
82.04179	0.3
85.02906	0.8
86.03107	0.1
86.09699	0.1
87.34471	0.1
91.05472	0.6
93.03390	0.2
93.07021	0.2
95.04965	0.7
96.05699	0.1
97.02866	1.3
97.06483	0.4
103.05472	0.8
105.03387	0.2
106.04129	0.6
107.04945	1.2
109.02905	0.2
110.03621	0.4
111.04425	0.3
115.05431	2.1
117.06995	4.3
121.06484	0.2
123.04412	3.9
124.05184	1.2
125.05934	0.4
127.05403	0.6
131.04866	0.2
133.06456	0.3
134.03590	0.2
137.02335	0.3
137.05942	0.4
138.03046	0.2
139.03845	0.7
142.02605	0.3
143.04912	0.2
144.05695	0.2
145.06468	7.9
147.04340	0.2
147.07986	0.5
151.03882	1.1
152.04674	1.4
153.01799	0.3
153.05481	0.2
155.06010	1.8
155.07091	0.2
161.05954	0.3
163.03879	0.4
167.07011	100.0
168.07352	1.3
171.06474	0.9
173.05959	18.6
174.06322	0.3
174.65967	0.1
175.03828	0.2
175.07460	0.5
177.05492	0.4
181.04924	18.6
182.05249	0.3
187.03975	0.2
189.05437	0.3
191.07034	0.4
201.05412	0.9
203.06960	0.2
205.08568	4.3
207.10091	0.2
215.03319	0.2
221.07950	0.2
228.04314	0.2
229.05046	0.2
233.08061	5.2
235.07402	0.2
235.09627	2.9
243.02850	0.3
245.04446	0.6
255.02951	0.2
256.61685	0.1
257.04376	0.4
260.03094	0.1
261.03900	0.4
269.04358	0.2
273.03888	3.1
274.04501	0.6
285.03885	0.5
287.05576	0.3
301.03394	0.4
302.04105	0.4
303.04944	4.4
304.05313	0.3
313.07132	0.3
327.04947	0.5
341.09955	0.2
355.11652	0.2
357.05878	0.3
369.13281	0.3
387.06885	0.3
387.14334	5.7
388.14301	0.2
399.14423	0.2
402.12762	0.2
405.08072	0.5
417.15381	80.7
418.15671	2.5
423.09219	0.4
440.31561	0.2
441.83020	0.1
603.07635	0.3
705.10797	0.6
723.11511	1.6
723.24609	0.5
724.11816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46124	0.1
55.01858	0.2
55.05496	0.1
56.05017	0.4
57.07064	0.2
58.06571	1.5
59.07365	1.2
60.08154	4.8
67.05482	0.2
69.07041	0.1
69.94208	0.1
70.06594	0.1
71.07359	2.1
71.07762	0.2
71.18855	0.1
79.05476	0.3
81.07043	0.3
86.09690	25.3
87.10004	0.1
91.05465	0.2
93.07037	0.2
95.08574	0.2
97.10200	0.1
98.98447	1.9
98.99078	0.1
104.10729	2.1
107.08588	0.1
109.10133	0.1
111.81805	0.1
124.99982	15.1
136.12881	0.1
137.69452	0.1
143.01044	0.3
147.04443	0.1
160.58086	0.1
163.01521	0.2
166.02640	0.1
184.07312	100.0
185.07701	0.6
210.08702	0.1
222.08867	1.2
224.10478	0.2
226.08339	0.1
238.08356	0.2
240.09956	0.3
282.11029	0.2
283.15286	0.1
301.08600	0.1
341.12262	0.2
354.13132	0.2
373.11353	0.2
423.23111	0.1
438.22321	0.1
478.33011	0.1
496.33752	0.1
508.30334	0.1
542.39032	0.2
547.94354	0.1
550.34558	0.1
583.65826	0.1
687.45117	0.1
705.44641	0.1
722.45868	7.5
723.46118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.2
68.76422	0.4
69.58794	3.7
84.96013	2.5
92.10475	0.4
95.40955	0.4
98.21559	0.4
98.97560	19.7
110.97540	4.9
116.97790	0.7
116.98597	12.9
124.99088	0.5
128.98590	9.0
131.00084	0.5
134.98709	0.5
134.99635	4.4
140.00160	0.4
140.98537	2.3
141.31190	0.4
143.00134	5.2
145.01625	0.4
145.03467	0.4
146.99622	7.2
149.99020	0.4
151.50470	0.4
152.00243	0.4
152.98515	0.9
152.99597	1.8
153.00667	0.5
158.99620	11.6
161.01186	7.0
162.00122	1.0
165.00690	1.1
168.00130	1.9
170.99631	11.7
173.01167	0.8
174.00159	1.0
174.99074	0.5
177.00687	13.6
177.79239	0.4
179.02187	1.1
180.00224	1.1
182.99580	7.1
183.00926	0.6
188.98943	0.9
189.00684	18.4
191.02216	0.5
193.00142	0.5
195.02032	0.5
198.01115	1.5
201.00665	37.4
204.01151	0.6
206.99872	0.5
207.01721	2.4
207.03494	0.4
210.01181	1.4
212.02260	0.8
213.00674	3.2
217.03802	0.5
219.01723	32.9
220.02171	0.5
224.02211	1.1
228.02173	0.7
231.01732	6.4
237.02774	12.6
240.02139	2.4
242.03290	1.3
243.01726	15.1
249.02779	0.7
255.03918	0.8
261.02774	68.0
262.03223	1.0
267.02435	0.6
270.03360	0.8
273.02808	5.1
279.03836	40.1
280.04202	0.7
291.03818	13.6
297.04855	1.1
300.04391	0.8
302.05362	2.4
303.03888	1.4
309.04883	1.0
321.04880	28.0
321.55011	0.5
322.05164	0.7
333.04889	3.5
334.05725	0.4
336.05154	0.4
339.57764	0.4
345.04779	0.5
351.05914	8.1
363.05933	1.5
381.07370	38.2
381.57263	0.8
382.07755	0.9
399.08069	15.6
422.09378	0.7
441.09100	100.0
442.09363	4.1
453.09302	2.7
471.10278	1.7
501.10928	3.0
525.10718	0.7
543.12396	1.8
551.56250	0.5
723.18286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.94631	0.3
55.01865	3.8
55.05504	8.9
57.03430	6.9
57.07071	0.5
59.04979	0.8
61.02890	0.6
65.03909	0.5
67.05141	0.6
67.05496	11.6
69.03413	1.5
69.07065	3.1
71.01348	0.5
71.04988	2.5
79.05484	13.0
81.03409	34.5
81.07047	11.7
83.01340	3.2
83.04974	5.9
83.08609	10.8
85.02888	2.1
85.06513	0.8
87.04413	0.4
88.51389	0.4
89.32005	0.4
91.05466	9.5
91.56512	0.4
93.07033	11.9
95.04958	11.6
95.05431	0.2
95.05577	0.4
95.08595	5.8
97.02869	2.6
97.06525	2.3
97.10162	4.6
99.04434	1.0
99.08082	0.4
103.05444	0.5
105.07021	8.1
107.04946	6.4
107.08585	7.7
109.02892	0.8
109.06499	4.2
109.10129	3.2
109.80936	0.4
111.04453	1.9
111.08054	3.2
115.05460	0.9
117.07008	4.3
119.04939	0.8
119.08566	8.3
121.06509	3.8
121.10137	5.3
123.04417	1.3
123.08054	4.2
125.05952	0.6
125.09606	3.6
128.06212	0.6
129.06993	4.4
131.04947	0.8
131.08566	5.0
133.06458	2.3
133.10089	2.5
135.04433	0.6
135.08069	1.3
135.11678	4.8
137.05951	0.9
137.09596	1.2
139.07497	0.6
142.07767	1.0
143.08548	1.0
144.56203	0.4
145.06470	1.6
145.10109	6.4
147.04361	0.9
147.08041	2.7
147.11661	3.3
149.05977	0.7
149.09608	2.9
151.11098	0.4
153.09042	0.9
153.12650	1.8
155.08559	1.2
157.06490	0.7
157.10091	4.0
159.08043	0.9
159.11734	0.7
161.05995	2.3
161.09622	0.8
163.11174	9.4
165.12683	0.5
171.08000	0.5
171.10196	0.4
171.11681	0.6
173.05966	0.4
173.09630	2.6
173.11758	0.7
175.11139	4.4
177.12596	0.4
181.12234	1.3
183.07970	0.4
183.11743	0.5
184.07251	0.5
185.09599	0.7
185.13312	0.9
187.11160	0.7
189.09117	1.0
189.11211	1.6
191.10680	1.9
193.10471	0.4
193.12219	8.7
195.11638	0.9
197.09705	0.5
201.09152	0.4
201.12747	0.4
203.14284	0.8
205.12241	1.4
209.11676	3.3
211.11346	0.6
211.13356	1.4
213.12747	0.7
227.12741	2.8
229.12172	0.4
231.13811	1.5
243.13867	0.6
249.14896	1.0
257.15338	0.5
259.13181	0.5
265.14343	0.9
267.15891	23.2
269.15384	0.6
271.13269	1.0
273.14893	2.0
283.15375	19.1
284.15881	0.6
285.17285	0.6
287.16534	0.9
289.14273	3.2
303.15829	0.6
306.35223	0.4
337.21729	0.7
347.20065	0.5
355.22696	1.9
365.21201	3.1
373.23834	0.7
383.22116	13.8
384.22849	0.5
401.23172	6.9
419.24170	1.4
431.24066	0.7
439.25079	1.5
457.25827	23.2
458.25980	0.5
461.29022	0.7
475.26883	100.0
476.27246	4.6
489.28268	0.6
493.27881	12.3
517.27869	1.5
583.28796	0.5
712.75134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03938	2.1
53.04131	0.4
55.01860	3.3
55.05501	7.3
57.03424	9.9
57.07040	0.5
59.04965	0.5
61.02900	0.6
62.40567	0.4
65.03910	0.9
66.18022	0.4
67.05493	14.3
69.03423	2.1
69.07058	4.7
70.46244	0.4
70.46562	2.1
71.01289	0.6
71.04983	2.8
73.02885	1.1
73.95354	0.4
77.03904	0.6
79.05479	18.7
81.03403	48.5
81.07040	15.6
83.01311	0.6
83.04967	5.1
83.08605	14.9
85.02892	2.7
85.06499	1.2
86.09653	1.1
91.03901	0.6
91.04919	0.7
91.05463	13.9
93.07029	24.0
94.07307	0.5
95.04951	18.4
95.08587	21.2
97.02876	4.6
97.06512	3.8
97.10157	2.1
99.04453	2.7
99.08072	0.5
101.05956	0.5
101.77044	0.5
105.06351	0.7
105.07011	12.3
107.04930	8.4
107.08578	14.6
107.64468	0.4
109.06504	3.7
109.10133	3.6
111.04444	3.5
111.08065	4.4
113.05957	1.0
113.09642	0.5
115.05404	0.7
117.06991	5.0
119.08562	14.3
119.45440	0.5
121.06490	5.1
121.10120	10.1
123.04398	0.6
123.08056	2.9
125.05975	2.3
125.09577	1.0
128.06192	0.6
129.06985	6.0
130.07713	0.8
131.08551	5.9
133.06435	1.6
133.10104	4.7
135.08017	1.5
135.11671	31.8
136.11983	0.6
137.09573	1.1
139.07460	1.9
142.07777	1.1
143.08557	0.6
145.10097	18.8
147.07988	2.1
147.11658	5.0
149.09579	2.9
153.12689	1.1
155.08484	0.8
157.10106	6.9
163.11159	44.1
164.11432	0.8
165.12740	1.4
173.09596	1.3
175.11168	6.0
181.12215	8.7
184.07275	2.6
189.11194	0.5
191.10631	1.4
193.12215	15.7
197.53856	0.5
205.12274	0.5
209.11671	1.7
211.13240	3.7
223.13231	0.6
227.12738	42.9
241.14301	0.9
249.14885	1.7
265.14325	0.7
267.15866	87.9
268.16199	1.6
277.21481	0.7
283.15359	58.9
284.15665	1.0
285.16928	2.4
301.16608	0.6
315.18054	1.3
348.71829	0.5
383.22043	2.3
401.23215	1.3
457.26025	3.2
475.26849	100.0
476.27109	4.0
493.27914	8.1
494.28046	0.5
507.29440	1.8
517.27771	1.5
525.30640	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	721.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01866	1.8
55.05504	18.5
57.03434	8.7
57.07075	1.3
65.03928	3.5
67.05497	61.8
69.03429	1.4
69.07063	15.8
69.75529	6.3
71.04980	2.5
73.06543	1.3
78.45096	1.1
79.05482	62.8
81.03407	5.8
81.07047	59.2
82.07315	0.7
83.04973	9.4
83.08598	6.3
85.02890	1.9
85.06527	1.9
86.09698	1.4
91.05470	43.8
93.07033	65.2
94.07352	1.0
95.04958	17.1
95.08594	37.2
97.06532	4.0
97.10155	3.0
99.08087	1.0
103.05452	1.0
105.04468	1.4
105.07021	35.8
107.04971	4.4
107.08587	24.9
109.06503	5.2
109.10143	9.4
111.08066	1.3
115.05418	1.3
117.07005	10.1
119.08572	20.8
121.06478	2.1
121.10128	14.2
123.08086	4.1
123.11703	2.5
124.99973	1.4
127.07548	1.2
128.06238	2.1
129.06987	10.7
131.08548	6.5
133.10123	11.2
135.08128	0.9
135.11697	7.5
137.09659	0.8
137.13249	1.2
141.06984	0.9
143.08557	7.5
145.10107	10.1
147.08028	1.5
147.11673	26.9
149.09685	0.8
149.13264	3.3
156.09422	0.7
157.10101	1.0
159.11685	3.3
161.09621	3.5
161.13231	9.1
163.14882	1.5
171.11678	17.7
171.13058	1.4
173.13266	2.8
175.14868	1.1
184.07314	4.4
185.07622	0.9
187.14905	1.1
189.12715	6.0
199.80934	0.8
207.13791	22.9
225.14790	1.0
243.21082	1.7
261.22070	5.7
279.15863	1.9
281.17450	54.0
282.17715	2.0
317.24722	1.1
335.25775	55.1
336.26166	1.7
367.98615	0.9
387.97809	0.8
503.37802	1.1
524.40363	1.2
541.38849	100.0
542.39172	6.0
559.39996	1.4
624.27765	1.9
721.34698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92290	1.4
53.03937	9.8
55.01860	14.3
55.05507	35.4
57.03430	14.5
57.07055	2.4
57.72380	1.7
58.43406	1.5
59.82144	1.5
60.32423	1.5
61.02916	3.4
65.03933	6.1
67.05497	65.0
69.03423	30.8
69.07063	25.1
70.25520	6.3
70.25934	2.8
71.04985	12.2
73.02904	2.9
75.21149	1.4
77.03922	2.9
79.05486	59.7
80.05811	1.6
81.03410	100.0
81.07046	84.9
83.04974	24.3
83.08604	23.2
85.02890	23.5
85.06517	4.7
91.05476	64.3
91.06043	3.5
92.55861	1.6
93.07033	49.5
95.04964	35.7
95.08596	37.4
95.09940	1.7
97.02889	21.5
97.06513	18.2
97.10162	12.8
99.04478	8.6
99.08081	3.0
101.02406	1.5
101.38935	1.5
103.05451	2.0
105.07017	62.3
107.04940	15.4
107.08577	37.4
109.02879	14.7
109.06516	13.5
109.10154	20.2
111.04440	11.8
111.08081	12.3
113.05966	1.7
115.05444	3.7
117.06996	21.3
117.07693	2.1
119.04901	2.3
119.08566	50.2
121.06490	11.5
121.10129	24.0
123.04415	2.1
123.08069	7.0
123.11725	8.5
125.09597	9.7
127.03896	13.9
128.06207	3.5
129.05473	5.7
129.06995	17.7
130.07845	1.5
131.04942	1.5
131.08557	26.5
131.09456	2.1
133.06476	5.9
133.10112	36.3
134.10434	2.0
135.07974	8.0
135.11702	7.3
137.05952	2.7
137.09610	7.5
139.03795	2.1
141.06992	5.4
142.07732	4.2
143.08542	12.8
145.06480	4.8
145.10115	23.4
147.08041	6.4
147.11664	26.1
149.06027	2.2
149.09604	17.9
149.13242	4.8
151.11169	5.8
153.01753	2.1
153.09140	2.7
153.12733	2.2
155.08540	5.9
155.10469	1.9
157.10104	21.1
159.08026	3.2
159.11653	14.7
161.09608	5.2
161.13202	5.1
163.11148	11.1
165.12738	6.3
167.08553	2.7
169.10129	6.1
171.08034	3.1
171.11676	6.3
173.04456	23.9
173.09578	2.8
173.11890	2.6
173.13268	9.2
175.07561	1.8
175.11168	14.8
177.12750	5.5
181.10086	2.1
181.12225	3.0
183.11659	6.1
184.07332	1.7
185.13220	4.9
187.11115	2.8
189.11198	3.8
189.12759	2.2
191.10628	4.3
193.12224	32.3
195.11636	4.3
197.13271	5.0
199.11229	2.4
199.14862	2.1
201.12801	3.2
201.16327	1.6
203.03502	1.7
209.11678	1.9
211.11241	3.1
211.13257	38.6
211.15144	2.7
213.16400	2.3
217.15938	2.1
223.11214	1.8
227.12630	8.4
229.14229	3.5
229.19423	3.1
239.17946	4.7
247.20528	3.5
249.14746	4.3
257.18942	10.2
259.13089	1.6
267.15869	25.6
269.17477	4.3
273.14941	2.1
273.18411	4.1
275.20059	51.1
283.15530	2.1
283.20700	1.9
285.16907	17.5
287.20053	1.8
293.21094	6.8
299.19974	2.6
303.15723	2.0
311.05356	1.8
313.21674	4.7
317.21207	1.6
321.16940	1.9
327.08582	2.8
331.22794	2.6
333.24066	2.2
337.16455	1.7
347.22244	3.0
349.23700	30.2
355.17551	4.3
355.22537	1.8
359.22217	2.0
367.24960	2.8
373.23724	2.8
383.22308	2.8
387.25183	2.1
391.25146	2.1
411.20108	5.7
419.24576	1.8
429.20938	9.3
431.29623	1.8
435.27844	2.2
439.25732	1.9
449.30481	3.8
457.25455	2.0
461.29056	10.3
467.31192	3.7
475.26910	1.9
479.29810	3.2
485.32547	3.7
493.27811	3.0
494.62695	2.0
495.27881	2.0
501.31821	2.0
523.34308	5.1
531.36505	2.7
541.35254	41.8
559.28156	3.2
559.36218	37.5
567.09528	2.6
569.07080	2.7
577.37189	3.8
583.36041	2.7
584.09387	2.9
585.10144	20.5
586.10211	5.3
599.57074	1.8
605.32751	2.2
623.34003	6.9
649.37378	2.1
667.38251	4.9
685.39398	7.2
703.40289	21.5
721.41541	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	721.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01865	26.6
55.05237	1.6
55.05505	30.1
57.03437	14.7
59.04984	2.4
61.02898	1.5
65.03925	4.9
67.05498	65.3
69.03419	19.8
69.07059	37.5
70.23832	4.5
70.24243	3.1
71.04988	11.6
73.02888	1.9
79.05481	52.5
81.03407	83.9
81.07045	77.8
83.04967	24.0
83.08607	25.6
85.02896	13.0
85.06529	4.3
91.05469	69.9
93.07034	49.7
94.07372	2.0
95.01334	7.9
95.04956	29.1
95.08596	33.3
97.02883	17.4
97.06519	39.6
97.10167	8.3
99.04453	5.3
99.08101	3.9
104.44481	1.4
105.07019	78.0
106.07354	1.7
107.04950	23.7
107.07833	1.9
107.08573	28.4
108.08974	1.5
109.02866	11.8
109.06520	9.5
109.10148	13.6
111.04436	11.0
111.08075	10.2
115.05466	3.1
117.07002	21.7
119.08566	47.0
121.06529	8.2
121.10131	21.6
123.04408	2.8
123.08045	7.5
123.11712	5.3
125.09604	6.6
127.03872	10.5
128.06274	1.8
129.05463	2.8
129.06976	13.1
131.04965	1.8
131.08545	37.2
133.06487	4.4
133.10112	50.5
135.08067	6.2
135.11708	12.1
137.09634	6.5
139.07524	2.5
141.06990	3.0
142.07751	2.8
143.08563	5.4
145.06468	4.5
145.10110	27.2
147.08075	4.6
147.11674	30.1
149.06047	2.5
149.09592	13.5
149.13243	4.9
151.07471	1.7
151.11142	3.6
153.12772	2.2
155.08562	3.7
157.10089	15.3
159.08073	1.9
159.11642	14.2
161.09602	3.7
161.13318	5.8
163.11206	11.4
165.09151	2.7
165.12741	4.2
167.08557	1.6
169.10127	5.2
171.11694	5.9
173.04445	6.4
173.09624	2.9
173.11835	2.3
173.13275	5.4
175.11166	9.6
177.12744	3.7
179.14282	15.8
181.12163	1.8
183.11673	2.5
185.13303	3.1
187.11215	3.9
187.14786	2.3
189.11154	2.7
189.12698	1.7
191.10669	2.4
193.12224	26.3
195.11714	1.5
197.13322	2.8
199.18112	1.3
201.12822	1.9
205.12257	2.0
210.54823	1.4
211.13255	31.8
211.15102	2.5
215.18040	1.8
219.17427	11.0
227.12828	4.9
229.14272	2.7
229.19365	3.0
239.17924	3.1
247.20551	4.2
249.14764	2.8
257.18909	8.9
267.15875	23.6
269.17532	3.1
275.20026	100.0
276.20407	2.3
279.15918	2.7
283.15204	2.7
285.16849	10.7
291.19342	2.0
293.21063	7.8
331.22684	1.6
343.18826	1.6
349.23697	52.5
355.17514	3.9
383.21948	1.5
411.19928	5.7
419.24619	2.1
429.21085	21.6
461.28894	4.0
467.31244	1.9
475.26584	2.1
479.30185	3.2
493.28217	2.1
513.35944	1.7
523.34631	1.8
541.35175	61.6
559.36121	31.1
577.37238	1.9
585.09808	8.3
623.33356	1.8
685.38684	3.8
703.40417	61.5
704.40369	2.2
721.41168	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.7
55.01868	25.5
55.05507	31.2
57.03432	15.3
57.07059	3.2
61.02899	1.9
65.03925	2.6
67.05137	3.2
67.05497	59.7
69.03429	23.2
69.07063	40.9
69.53840	14.4
71.01304	1.2
71.04987	11.4
79.05485	51.3
81.03412	94.8
81.07048	74.4
81.07541	2.1
83.04975	26.5
83.08611	27.1
83.09084	2.5
85.02901	20.2
85.06529	3.3
91.05473	68.5
93.07037	46.0
95.01313	7.4
95.04962	30.2
95.08600	37.8
97.02879	19.6
97.06519	44.7
97.10155	10.7
99.04446	6.2
99.08095	3.5
103.05460	2.4
105.07019	87.9
107.04946	23.2
107.08572	23.6
107.09237	2.0
109.02884	10.3
109.06523	9.9
109.10146	13.9
111.04433	9.7
111.08086	9.6
113.06024	1.8
113.09621	1.3
115.05457	3.7
117.07000	16.2
119.04920	1.7
119.08571	48.9
121.06506	5.2
121.10133	19.1
123.04400	3.1
123.08031	7.5
123.11691	5.0
125.09627	6.0
127.03888	9.4
127.07483	1.9
128.06207	3.2
129.05484	5.1
129.06981	11.7
129.85954	1.2
131.08548	30.6
133.06409	6.6
133.10117	45.2
135.08066	7.2
135.11710	10.2
137.09615	5.7
139.07549	1.7
139.11140	1.6
141.06999	4.9
142.07747	2.8
143.08549	8.0
145.06459	3.3
145.10120	24.7
147.08066	5.8
147.11673	28.1
149.09593	14.9
149.13257	5.3
151.11206	3.1
153.12753	2.4
154.07785	2.0
155.08565	4.7
157.10115	17.7
159.08119	2.9
159.11652	13.8
159.12779	1.5
161.09595	4.2
161.13280	6.1
163.11200	9.7
165.09193	1.6
165.12746	5.0
167.08597	1.5
169.10129	3.9
171.10316	1.5
171.11690	5.2
173.04459	5.0
173.09578	2.3
173.13272	7.3
175.11156	11.8
177.12804	4.0
179.14302	13.3
181.12190	1.9
183.11658	3.7
185.13301	2.3
187.11185	3.6
187.14810	1.9
189.11194	2.2
191.10637	3.1
193.12225	39.4
197.13165	3.1
199.11113	1.7
205.12259	1.7
211.13280	39.3
211.14799	1.7
215.17868	2.1
219.13754	1.8
227.12794	3.8
229.14391	2.9
229.19591	3.3
239.18030	3.4
247.20621	3.4
249.14897	3.7
257.18967	9.7
267.15891	37.7
273.18555	2.1
275.20041	100.0
276.20303	2.8
285.16965	15.8
293.21216	7.0
313.21658	1.5
331.22711	1.7
337.16504	2.9
349.23706	55.0
355.17499	4.4
411.19962	4.8
429.21207	50.7
449.30493	2.1
475.26392	1.7
479.30005	2.6
485.32751	2.0
541.35229	80.7
542.35486	3.6
559.36267	30.9
623.34283	1.5
649.36639	1.7
685.39569	3.3
701.28729	1.6
703.40411	67.9
704.40784	3.2
721.39856	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	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.7
54.46595	0.4
55.01842	1.4
55.05502	11.0
57.03431	11.6
57.07069	26.0
59.04955	0.6
61.02917	3.9
62.91879	0.4
65.03934	0.8
67.05498	19.4
67.05838	0.7
69.03425	3.3
69.07063	9.2
69.67849	4.1
71.04983	3.0
71.08624	19.6
73.02861	1.3
73.06544	0.7
75.04439	0.4
79.05483	12.6
81.03410	39.5
81.07046	23.8
81.07530	1.2
81.36769	0.4
83.04520	0.6
83.04972	9.5
83.08609	19.8
85.02896	18.4
85.06498	1.1
85.09684	0.6
85.10171	10.8
86.09680	1.0
86.72600	0.4
87.04425	0.9
87.89074	0.4
89.05987	1.2
91.03916	1.4
91.05470	18.2
93.07035	10.6
95.04956	15.2
95.08594	18.2
97.02888	4.1
97.06529	2.7
97.10152	6.6
99.04408	0.5
99.08027	1.3
102.21912	0.5
103.07545	0.4
105.07024	13.4
107.04952	4.2
107.08582	4.5
109.06509	3.0
109.10143	7.9
111.04379	1.4
111.07302	0.5
111.08065	7.0
111.11668	0.5
113.05997	2.1
115.05406	1.1
117.06986	0.8
119.08570	12.6
121.06441	1.0
121.10116	5.1
123.08011	1.4
123.11670	4.5
125.00003	0.5
125.09592	1.3
127.03871	0.7
129.06987	7.2
131.07645	0.6
131.08556	7.7
133.06442	1.5
133.10118	7.0
135.11655	0.5
137.09572	1.8
137.13208	1.5
142.07722	1.8
145.10059	1.5
147.07967	1.3
147.10579	0.7
147.11665	9.3
149.09599	4.6
157.08861	0.5
157.10103	9.8
163.11078	0.6
165.12788	2.3
175.11177	9.7
184.07288	1.8
193.12219	26.6
211.13269	45.6
239.23636	1.3
248.77098	0.5
249.14845	0.5
257.24747	1.8
267.15891	16.3
285.16931	64.1
286.17392	0.6
313.27325	69.6
314.27643	1.5
431.35522	0.6
465.35406	0.8
505.38800	14.2
506.40073	0.5
523.39899	100.0
524.40314	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	720.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01852	1.4
55.05500	5.8
57.03429	4.7
57.07077	0.4
61.02917	0.5
65.03926	0.7
67.05491	15.2
69.03413	1.6
69.07052	3.5
70.95662	0.6
71.04972	1.3
73.06548	0.7
77.03879	0.4
79.05480	24.6
81.03403	32.9
81.07041	14.7
83.04969	4.7
83.08603	8.0
85.02872	0.6
85.06532	1.2
89.79114	0.3
91.05460	20.2
93.07027	23.7
94.54817	0.3
95.04950	15.3
95.08591	7.2
97.02876	1.3
97.06502	2.5
97.10155	1.9
99.08038	0.4
105.04497	0.4
105.07014	15.2
107.04933	3.2
107.08571	6.9
109.06496	3.3
109.10129	1.9
109.51919	0.3
111.04422	0.7
111.08051	2.4
115.05418	0.8
117.06985	3.2
117.08299	0.3
119.08558	12.0
121.06483	2.0
121.10130	3.0
123.08051	2.7
125.09576	0.7
127.07519	0.6
128.06203	0.9
129.06985	8.0
131.08540	4.3
133.06445	1.6
133.10107	5.2
135.08063	0.6
135.11681	1.2
137.09584	1.1
142.07794	1.1
143.08521	3.4
145.10103	3.6
147.08005	1.8
147.11661	16.3
149.09576	1.8
157.10097	4.5
159.11665	0.6
161.09621	1.1
161.13216	4.0
163.11192	0.5
165.12741	0.7
171.11655	9.5
171.13094	0.6
175.11145	4.0
189.11198	0.5
189.12685	3.1
193.12215	8.7
205.12244	0.5
207.11842	0.6
207.13773	8.1
211.13300	0.8
225.14954	0.4
239.18608	0.3
242.51170	0.3
249.14804	0.7
267.15860	31.6
268.16348	0.7
273.18405	0.4
281.17426	35.1
282.17749	0.6
338.21164	0.3
381.24124	0.7
421.25821	0.7
447.27341	0.9
455.28027	0.6
473.28925	100.0
474.29108	3.6
474.34302	0.3
491.30032	2.8
508.84973	0.3
515.30157	2.2
516.92090	0.3
581.31036	0.9
720.41064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.8
55.01857	5.8
55.05502	24.7
57.03428	12.2
57.07063	3.6
58.30414	1.8
59.04990	2.4
61.02904	5.5
65.03916	2.9
67.05495	76.4
68.05847	2.1
69.03423	9.9
69.07053	22.5
71.04955	4.2
71.81017	2.9
73.02873	2.1
74.09695	2.0
79.05485	88.7
80.05823	2.0
81.03401	19.5
81.07046	73.6
83.04982	11.2
83.08611	14.0
85.02886	8.2
85.06525	6.0
86.09675	3.2
91.03914	2.4
91.05470	100.0
92.05797	3.1
93.07031	92.8
94.07323	2.6
95.04958	28.4
95.08592	47.7
97.02870	7.3
97.06503	8.2
97.10160	6.4
99.04509	2.0
99.08052	4.0
103.05407	2.6
105.07013	87.8
105.07727	4.3
107.04921	12.2
107.08578	35.2
107.42805	1.7
108.93204	1.6
109.06490	8.6
109.10141	14.7
111.04414	2.6
111.08076	4.6
115.05463	2.5
117.07011	23.2
119.08562	59.6
120.08930	1.9
121.06503	4.9
121.10124	21.2
123.08024	6.2
123.11711	3.9
124.99971	2.4
125.09589	3.0
127.03904	3.3
128.06236	3.2
129.06998	28.5
130.07794	2.0
131.07634	3.1
131.08553	27.4
133.06404	2.1
133.10106	47.6
135.11678	17.4
137.09607	3.2
138.10037	1.6
141.06982	4.4
142.07814	2.8
143.08510	20.4
145.06471	3.1
145.10110	33.6
147.08058	3.5
147.11671	54.3
148.11993	2.0
149.09619	3.2
149.13191	8.9
151.11163	2.4
154.07774	1.7
155.08545	7.4
156.09306	2.2
157.10123	17.4
159.11668	20.9
161.09587	5.3
161.13255	30.7
162.13676	1.9
163.11205	4.9
167.08606	3.8
169.10097	13.5
171.11682	38.9
173.04416	2.9
173.13225	13.9
175.14815	9.2
177.12729	4.6
179.08421	2.3
181.10042	5.0
183.11667	7.9
184.07318	6.1
185.13202	11.5
187.14848	5.2
189.12672	9.8
189.16316	1.7
195.11673	7.9
197.13272	6.2
199.14821	6.2
201.12759	2.8
206.10918	2.0
207.11797	4.5
207.13791	19.7
209.13248	4.9
211.14818	3.4
213.16362	4.1
223.14899	3.0
231.21002	3.7
237.16289	2.0
241.19492	25.1
257.19012	5.0
259.20535	51.5
260.20935	2.7
260.50461	1.7
268.33649	1.8
275.19968	5.8
279.15744	10.8
281.17441	49.7
282.17731	3.2
295.20673	3.0
297.21753	2.0
315.23169	7.4
331.22498	3.5
333.24194	38.6
339.23361	2.0
419.33231	2.6
429.31616	3.0
437.34003	5.6
447.32541	14.3
465.33630	10.5
483.34512	7.6
501.36194	2.2
509.06247	2.2
521.36322	4.4
527.36884	3.7
528.37585	19.9
529.38623	4.8
539.37305	82.3
540.37567	6.4
557.38416	40.3
558.38495	4.8
701.41089	7.1
719.42151	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	719.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03940	10.1
55.01867	17.0
55.05503	43.0
55.21223	1.0
57.03432	14.9
57.07056	3.1
58.39901	1.0
59.04990	3.0
59.88326	1.1
61.02909	2.8
65.03931	4.5
67.05495	73.0
68.05810	2.6
69.03421	38.4
69.07056	30.7
70.07893	6.7
71.01340	2.2
71.04982	12.5
73.02921	3.4
77.03912	1.2
79.05484	60.3
80.05811	2.4
81.03407	100.0
81.07045	66.9
82.03753	1.9
82.07391	2.4
83.01334	2.1
83.04971	26.9
83.08608	25.5
83.09090	1.9
85.02889	19.8
85.06543	3.1
87.04439	1.9
91.05467	61.3
92.05817	1.6
92.93034	1.2
93.07034	54.2
94.07362	2.7
95.01309	1.4
95.04958	33.1
95.08592	30.8
96.05290	1.5
97.02879	24.1
97.06522	11.6
97.10155	22.0
99.04445	9.8
99.08072	2.9
101.02353	2.2
101.06018	1.3
103.03914	1.1
103.05478	2.1
105.03363	1.4
105.07019	46.9
106.07375	1.7
107.04939	19.4
107.08576	32.5
109.02870	23.5
109.03553	2.0
109.06506	13.6
109.10133	22.7
110.10519	1.8
111.04440	14.0
111.08062	13.5
113.05964	1.2
115.05418	5.3
116.51596	1.0
117.07007	24.0
119.04919	1.6
119.08564	38.2
119.09421	2.2
120.88782	1.1
121.02890	1.6
121.06498	12.5
121.10121	18.8
123.04427	4.6
123.08057	9.8
123.11664	5.1
125.05952	1.3
125.09628	17.0
127.03889	14.3
128.06226	4.7
129.05469	2.8
129.06984	18.9
130.07765	2.2
131.04932	2.2
131.08549	29.2
133.06432	6.4
133.10114	22.3
135.04437	1.7
135.08037	11.4
135.11673	15.9
137.05962	2.1
137.09593	7.3
141.06990	3.7
142.07779	3.7
143.08566	10.5
145.06503	6.9
145.10100	22.0
147.04430	1.4
147.08012	9.8
147.11664	16.9
149.05949	2.1
149.09566	10.6
149.13283	4.8
151.07538	2.2
151.11200	3.3
153.09125	2.6
153.12697	5.2
154.07687	1.3
155.08559	6.1
157.06525	1.4
157.10100	13.8
159.08080	3.4
159.11681	10.8
161.06003	1.9
161.09615	5.8
161.13254	2.6
163.07529	1.3
163.11145	11.0
165.05574	1.4
165.09166	2.9
165.12747	3.8
167.08591	2.5
167.10631	1.1
169.10132	3.6
171.08005	2.8
171.10318	2.4
171.11717	6.3
173.04468	10.5
173.05861	1.9
173.09616	5.0
173.11816	2.6
173.13295	3.6
175.11192	11.0
176.60263	1.1
177.12753	2.9
177.46216	1.1
179.08566	1.2
181.10132	2.5
181.12202	6.2
183.06602	1.3
183.08069	2.3
183.11722	4.9
184.07361	1.8
185.09601	3.0
185.13194	2.5
187.11157	3.5
187.14778	2.2
189.09615	1.6
189.11221	11.5
189.12773	2.6
191.10654	5.8
191.14355	1.5
193.12213	22.6
195.07999	1.6
195.11688	2.4
195.13783	2.1
197.09613	2.0
197.13187	2.6
199.11182	1.7
201.12776	3.7
203.10664	1.5
205.10246	1.4
205.12219	2.7
209.11647	2.5
211.11278	1.9
211.13234	29.8
213.12744	2.5
217.12247	1.9
219.11835	1.4
219.13812	1.5
223.13193	9.6
227.12697	19.2
227.18085	1.5
229.12340	2.4
229.14401	8.0
229.19559	1.6
230.14703	1.8
231.13766	1.5
233.15384	2.1
237.12634	1.5
237.16635	1.3
239.18018	1.1
245.13663	1.2
245.19061	3.1
247.20593	2.0
249.14861	1.5
255.17400	2.7
257.19083	5.0
263.20038	1.6
267.15829	11.7
267.60358	1.2
269.17416	1.8
273.15375	2.2
273.18445	24.0
275.16925	1.7
275.20016	19.5
276.20474	1.5
283.15369	10.1
285.17108	3.8
289.17892	1.8
291.19507	59.9
292.19934	2.6
293.21069	1.9
301.14337	2.2
313.21735	3.1
331.22849	1.7
337.16479	2.2
347.22150	6.5
349.23651	8.0
355.17264	3.2
357.20871	1.3
365.23187	8.0
371.22357	1.9
381.20810	1.2
383.22342	2.2
399.22128	1.2
401.23154	1.4
410.26251	2.1
411.20074	3.0
417.22922	1.6
423.27356	4.5
424.27905	5.3
427.19693	2.6
429.20993	1.4
435.24033	1.9
437.25198	1.5
465.30206	3.1
477.28583	2.5
483.31372	1.9
491.26511	1.9
493.27457	2.1
503.33475	1.4
504.34128	1.7
527.37750	1.6
528.37598	11.5
529.35748	1.3
539.33594	10.4
557.34631	32.2
575.35577	10.4
576.35944	1.7
581.28845	2.3
621.32855	3.5
665.36792	2.4
683.37299	3.5
701.38751	18.4
702.39386	1.7
719.39893	75.5
720.40747	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	719.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.4
58.74849	0.3
68.98273	0.4
69.03419	0.9
73.02875	0.3
80.28835	0.4
81.03384	0.9
82.99859	1.1
85.02911	1.9
89.03905	2.5
94.99841	0.6
95.04936	1.6
97.02859	1.5
98.97546	1.5
101.00858	4.0
105.00352	0.4
107.04914	1.1
109.02832	1.7
110.97570	0.5
111.04414	0.4
113.00846	0.9
115.02384	0.5
116.98582	0.7
117.03365	3.1
119.01904	18.1
121.02841	0.9
127.02396	1.2
127.03881	0.8
129.03897	0.5
131.01897	6.0
133.03436	1.2
134.99579	0.4
135.04393	7.5
136.04651	0.5
137.02946	2.5
139.02353	0.5
143.01872	14.0
144.01852	0.6
145.02693	4.7
145.03458	7.5
146.03445	0.5
147.01314	1.4
149.02933	1.3
155.01857	9.3
157.03458	5.0
158.99628	1.0
159.05002	1.4
160.02733	0.4
161.02945	22.7
162.02979	0.8
163.03874	82.3
164.04192	1.9
167.01883	6.6
169.03442	5.0
170.99667	0.5
171.01283	0.6
171.04977	4.6
172.73914	0.4
173.02942	20.5
174.02943	0.6
175.04509	2.1
176.46956	0.4
177.00710	1.2
177.02261	0.5
179.01854	1.9
181.03453	1.2
184.04616	0.5
185.01096	1.3
185.02936	37.1
186.03152	1.3
187.02855	0.8
187.04492	7.5
189.00714	0.5
189.06090	0.8
191.03917	1.5
193.03429	0.9
195.05060	0.8
196.04634	0.7
197.02930	16.5
198.03149	0.5
199.04550	0.9
200.04433	0.5
201.00642	0.7
203.01965	1.8
203.03912	11.7
205.05511	0.5
208.04524	0.6
209.02980	1.9
211.04451	0.8
213.06059	0.7
215.03978	10.8
216.04245	0.4
219.01767	0.8
221.02922	36.8
221.04811	2.0
222.03183	1.9
226.05737	0.5
227.03979	8.9
228.03941	0.5
229.05640	0.5
231.24622	0.4
233.05023	1.8
237.02794	1.4
238.05496	0.5
239.04015	11.3
240.04074	0.5
244.04503	1.1
245.05042	100.0
246.05313	3.8
247.04562	1.9
251.04030	0.6
253.05414	0.4
257.05054	14.3
258.05377	0.7
259.04596	1.4
261.02194	0.6
261.04535	3.1
263.03854	3.0
263.06125	10.6
265.05496	0.7
269.02924	0.6
271.04449	15.2
272.04431	0.6
273.05981	2.1
275.03397	0.6
275.06125	11.0
277.05576	1.9
279.05582	0.6
281.04709	4.1
281.07703	0.6
282.04916	0.4
283.06592	0.5
285.05997	1.8
286.07672	0.4
287.03491	3.1
287.05450	0.9
287.06650	1.1
289.05502	9.6
290.05698	1.4
291.03436	0.5
291.07147	0.4
293.07269	3.1
295.03934	1.0
295.07156	2.4
296.06259	0.4
297.02518	0.6
297.05881	1.1
299.03656	4.1
303.07159	1.0
305.07349	14.9
306.07513	0.5
307.06607	4.6
309.04822	0.5
309.08221	1.6
312.07153	0.4
313.05478	5.3
315.03568	1.1
315.07108	1.9
316.08612	0.4
317.04550	2.3
321.04675	0.5
323.06491	3.1
323.09729	0.7
325.07761	1.0
331.06546	7.8
332.06564	0.5
333.04547	2.6
333.08231	1.8
335.08655	3.3
341.04816	2.3
347.05914	0.6
349.07623	12.2
350.07584	0.4
351.05515	2.7
351.09222	0.6
359.06052	6.9
362.09485	2.3
365.09576	12.1
367.08566	2.2
369.06577	2.5
372.09451	0.5
377.07077	25.3
378.07434	1.4
383.09933	0.6
391.08612	0.5
395.08109	8.9
396.08719	0.8
400.08731	0.7
401.07248	0.8
409.09689	0.4
413.08844	1.1
418.09729	1.0
419.08118	4.6
427.11072	0.5
431.08496	0.8
437.09247	90.0
438.09470	4.8
449.09195	9.3
450.09650	0.5
455.10306	10.2
456.10587	0.6
461.09473	3.2
467.10294	5.5
473.09418	1.1
478.11917	0.9
479.10339	14.9
480.10580	0.8
481.11960	0.9
485.11343	0.6
491.10168	1.6
497.11395	3.8
503.09818	0.7
509.11411	3.6
510.11423	0.5
515.12805	0.6
521.11261	8.4
527.13623	1.0
539.12384	12.9
540.12543	0.8
557.13239	3.3
581.13239	0.8
701.17554	1.6
702.34930	0.4
719.18640	7.5
720.18365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03013	0.5
53.03913	0.8
55.01859	3.3
55.05496	8.3
57.03428	8.6
57.07067	18.9
59.04991	1.1
60.33080	0.7
61.02909	4.3
65.03915	0.5
67.05492	10.2
67.48818	0.5
69.03396	0.9
69.07050	5.2
69.64594	2.6
69.65034	2.4
71.01308	0.5
71.04955	2.1
71.08253	1.0
71.08619	13.8
73.02901	1.0
75.27163	0.5
79.05479	9.3
81.03406	5.1
81.07040	15.6
83.01323	4.4
83.04969	4.9
83.08606	9.8
85.02486	0.5
85.02892	5.5
85.06503	0.8
85.10162	9.1
86.09670	1.2
89.06017	1.2
91.03970	1.5
91.05477	5.7
93.07025	11.8
95.04929	2.9
95.08588	12.9
97.02882	3.7
97.06499	2.5
97.08768	0.6
97.10174	2.8
99.04417	1.9
105.07016	4.3
107.04959	3.3
107.08574	5.1
109.06526	3.3
109.10132	5.6
111.04423	1.2
111.08053	0.8
117.06990	3.2
119.08546	4.3
121.06458	1.7
121.10119	4.3
123.08077	4.7
123.08855	0.8
123.11677	2.6
125.05930	1.0
127.03862	0.6
130.07767	0.7
131.08524	1.0
131.35385	0.6
133.10085	0.8
135.11684	5.7
137.09547	1.0
137.13260	0.8
145.10106	7.4
147.07988	0.7
153.12755	1.2
155.08510	1.1
163.05872	0.6
163.11145	12.0
173.09558	2.0
181.12177	1.0
184.07344	2.0
191.10626	1.4
199.26392	0.8
209.11694	4.7
227.12738	2.3
239.23746	1.3
245.74948	0.6
257.24802	1.3
270.81732	0.6
283.15353	100.0
284.15741	3.2
286.34778	0.6
313.27313	76.9
314.27640	2.7
508.41345	0.6
521.38300	49.5
522.38928	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	718.471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03152	0.5
53.03931	1.7
55.01852	1.9
55.05502	20.0
57.03162	1.0
57.03428	14.3
57.07063	5.2
60.34585	0.6
61.02917	4.1
65.03924	0.7
67.05492	26.3
69.03413	4.2
69.06683	1.3
69.07056	24.2
71.04974	3.5
71.08614	2.8
71.81865	0.8
73.22079	0.6
79.05013	1.1
79.05481	19.9
81.03401	40.0
81.07043	33.3
81.07440	0.8
81.07524	1.3
83.04966	11.7
83.08604	29.8
85.02893	19.4
85.06519	1.7
85.10156	1.1
86.09672	1.7
91.03942	2.1
91.05463	21.5
93.07030	19.6
95.04950	17.2
95.08588	19.4
95.09196	1.1
96.08982	0.7
97.02858	3.5
97.06510	5.1
97.10155	9.7
99.08089	1.2
105.07014	13.3
107.04938	4.1
107.08572	9.7
107.09247	0.9
107.33073	0.6
107.60731	0.6
109.06503	3.1
109.10129	6.0
111.04420	1.9
111.08068	8.5
111.11697	2.4
113.05987	2.0
113.09576	0.7
115.05411	0.6
117.07027	1.1
119.08569	12.9
121.06493	1.3
121.10119	15.1
122.10439	0.6
123.08073	1.3
123.11697	3.6
124.99986	1.0
125.09602	2.3
129.06981	8.5
131.08542	8.2
133.06480	1.3
133.10120	7.5
135.11667	6.8
137.09624	0.8
137.13229	1.8
139.11174	1.5
142.07739	1.8
145.10094	2.2
147.08000	1.4
147.11655	10.0
149.09590	4.8
149.13199	3.0
157.10089	11.2
163.11185	0.8
163.14903	0.9
165.12724	1.8
175.11137	10.0
184.07312	6.8
193.12210	33.2
211.13258	53.4
212.13623	1.5
219.21080	1.4
227.05707	0.7
227.12889	0.6
237.22092	2.4
267.15848	16.4
285.16910	67.2
286.17322	2.6
311.25742	71.3
312.26117	2.2
393.90213	0.7
503.37268	13.5
504.37933	0.7
521.38293	100.0
522.38672	7.1
549.25714	0.6
718.44910	0.9
719.34302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03152	0.5
53.03931	1.7
55.01852	1.9
55.05502	20.0
57.03162	1.0
57.03428	14.3
57.07063	5.2
60.34585	0.6
61.02917	4.1
65.03924	0.7
67.05492	26.3
69.03413	4.2
69.06683	1.3
69.07056	24.2
71.04974	3.5
71.08614	2.8
71.81865	0.8
73.22079	0.6
79.05013	1.1
79.05481	19.9
81.03401	40.0
81.07043	33.3
81.07440	0.8
81.07524	1.3
83.04966	11.7
83.08604	29.8
85.02893	19.4
85.06519	1.7
85.10156	1.1
86.09672	1.7
91.03942	2.1
91.05463	21.5
93.07030	19.6
95.04950	17.2
95.08588	19.4
95.09196	1.1
96.08982	0.7
97.02858	3.5
97.06510	5.1
97.10155	9.7
99.08089	1.2
105.07014	13.3
107.04938	4.1
107.08572	9.7
107.09247	0.9
107.33073	0.6
107.60731	0.6
109.06503	3.1
109.10129	6.0
111.04420	1.9
111.08068	8.5
111.11697	2.4
113.05987	2.0
113.09576	0.7
115.05411	0.6
117.07027	1.1
119.08569	12.9
121.06493	1.3
121.10119	15.1
122.10439	0.6
123.08073	1.3
123.11697	3.6
124.99986	1.0
125.09602	2.3
129.06981	8.5
131.08542	8.2
133.06480	1.3
133.10120	7.5
135.11667	6.8
137.09624	0.8
137.13229	1.8
139.11174	1.5
142.07739	1.8
145.10094	2.2
147.08000	1.4
147.11655	10.0
149.09590	4.8
149.13199	3.0
157.10089	11.2
163.11185	0.8
163.14903	0.9
165.12724	1.8
175.11137	10.0
184.07312	6.8
193.12210	33.2
211.13258	53.4
212.13623	1.5
219.21080	1.4
227.05707	0.7
227.12889	0.6
237.22092	2.4
267.15848	16.4
285.16910	67.2
286.17322	2.6
311.25742	71.3
312.26117	2.2
393.90213	0.7
503.37268	13.5
504.37933	0.7
521.38293	100.0
522.38672	7.1
549.25714	0.6
718.44910	0.9
719.34302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03938	2.6
55.01864	4.7
55.05503	15.2
57.03431	13.5
57.07070	2.0
58.97072	0.5
59.04987	4.6
61.02924	3.9
61.70112	0.6
65.03935	3.6
67.05496	100.0
67.76212	0.7
68.05826	1.5
69.03422	5.9
69.06698	1.0
69.07064	16.0
71.01344	0.9
71.04984	7.2
71.78021	0.9
71.84094	0.5
73.02896	1.7
77.03919	0.9
79.05485	27.2
80.05807	0.7
81.02950	1.0
81.03410	12.4
81.07047	45.4
82.07402	0.6
83.04974	8.4
83.08607	13.8
85.02894	6.6
85.06527	4.7
87.04462	0.8
89.60033	0.5
91.03930	1.9
91.05467	28.9
93.07034	29.8
94.07374	0.8
95.01309	0.7
95.04959	8.5
95.08594	21.8
96.08939	0.6
97.02869	5.9
97.06522	9.3
97.10164	3.9
99.04440	1.9
99.08078	2.7
105.07019	18.6
107.04921	5.9
107.08589	18.4
108.08873	0.8
109.02859	3.5
109.06508	4.8
109.10142	79.5
110.10452	1.4
111.04420	1.3
111.08078	6.0
113.05990	0.8
113.09624	0.6
115.05434	0.9
117.06998	9.5
119.04937	0.7
119.08566	20.5
119.37737	0.5
121.06491	2.2
121.10115	9.5
123.04410	0.7
123.08047	2.7
123.11692	2.2
125.09595	4.1
127.03921	2.9
127.07564	0.7
127.11159	0.6
128.06210	1.5
129.05481	1.7
129.07034	3.2
130.07719	0.7
131.08562	10.1
133.06456	2.0
133.10114	13.5
134.10362	0.8
135.04433	0.8
135.08029	2.7
135.11676	9.8
137.09589	4.0
141.06982	1.2
143.08510	2.4
145.04947	0.7
145.06444	1.4
145.10100	10.4
147.08022	1.6
147.11664	6.7
149.09613	8.0
149.13260	6.5
151.11183	1.2
153.09097	0.9
155.08531	1.8
155.10590	3.7
157.10109	2.7
159.08041	1.1
159.11687	7.3
161.05922	0.8
161.09567	1.7
161.13219	2.5
163.11176	5.4
165.12758	0.9
169.10078	1.6
171.11646	2.6
173.04399	2.4
173.09573	1.1
173.10039	1.0
173.11751	19.2
173.13232	3.0
175.11183	0.9
177.12706	2.6
179.14305	1.2
181.10086	1.0
181.12236	1.2
183.11642	1.8
184.07294	2.5
185.13197	0.7
187.11185	0.9
189.11125	1.5
189.12662	0.7
191.10611	0.8
193.12050	1.3
195.13808	3.0
197.13380	0.7
211.13268	1.2
219.13794	1.0
227.12711	5.0
229.14323	65.1
230.14650	1.2
239.17845	1.6
247.20506	0.7
255.14067	0.5
255.15894	5.2
257.18945	5.2
258.27829	2.4
259.20517	0.7
267.15857	2.3
269.17441	10.9
273.18454	1.4
275.20026	14.1
291.19342	1.4
293.17554	0.7
293.20969	2.2
325.20209	1.1
331.22565	1.7
339.18076	0.9
349.19699	1.1
349.23688	16.0
367.24908	0.9
399.23590	1.4
409.20975	1.0
409.25836	18.8
413.21637	1.2
423.27383	67.4
424.27405	2.4
447.26840	0.7
463.29871	1.4
477.27594	0.7
503.33652	21.1
504.33487	0.8
521.34772	7.1
539.33386	0.9
557.33862	1.8
559.35901	1.4
567.30878	2.7
577.36505	2.2
718.38196	1.4
719.38940	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	718.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01870	5.6
55.05267	1.2
55.05505	16.3
57.03431	13.8
57.07053	2.9
59.04993	4.6
61.02916	4.7
65.03915	2.4
67.05495	100.0
68.05822	1.7
69.03419	8.6
69.07063	18.6
71.04977	6.1
71.08608	1.3
71.80430	1.0
73.02910	2.3
73.13458	0.8
79.05015	1.6
79.05483	34.7
81.03407	15.9
81.07044	47.6
82.07372	1.1
83.04979	8.3
83.08607	13.7
85.02892	6.5
85.06533	4.6
86.09682	1.4
91.05466	32.6
92.05793	1.1
93.07033	33.8
95.04959	10.5
95.08588	20.6
97.02878	6.7
97.06514	9.9
97.10159	4.7
99.04449	1.9
99.08080	2.5
105.07011	21.9
105.55284	0.7
106.07369	1.1
107.04948	7.1
107.07896	1.5
107.08580	19.6
109.02868	2.4
109.06499	5.7
109.10142	77.1
110.10500	1.1
111.04421	1.6
111.08067	6.6
111.11747	0.9
115.05394	1.2
117.07008	10.6
119.04884	0.9
119.08561	20.4
120.08893	1.0
121.06489	4.9
121.10133	9.7
123.04409	1.0
123.08062	4.2
123.11683	2.2
124.99976	1.0
125.09602	4.1
127.03920	4.0
129.05481	1.7
129.07010	4.9
131.08542	12.8
133.06490	1.4
133.10110	13.2
135.08049	2.7
135.11681	12.1
137.09607	4.8
141.06937	1.5
142.07776	1.2
143.08571	3.0
145.06505	1.5
145.10117	10.2
147.08009	1.7
147.11665	6.4
149.09599	6.7
149.13214	6.3
151.11179	1.4
155.08546	2.0
155.10669	3.9
157.10068	3.8
159.11676	8.3
161.09677	1.7
161.13248	2.4
163.11200	6.3
169.10078	1.8
171.11662	1.7
173.04471	2.7
173.09561	1.6
173.11751	21.1
173.13239	4.1
175.11221	1.8
177.12688	2.4
179.14317	1.2
181.12230	1.7
183.11691	2.4
184.07304	5.2
185.13330	0.9
187.11134	1.4
187.14787	1.0
189.11201	1.2
189.12762	1.7
193.12212	1.3
195.13795	3.8
197.13199	1.3
205.15790	0.9
211.13203	1.9
227.12727	6.0
229.14325	72.3
230.14735	1.2
239.17928	2.7
247.20511	1.6
255.15778	6.1
257.18988	5.6
258.28009	5.3
259.20450	1.1
267.15808	1.7
269.17422	13.2
273.38974	1.0
275.20047	17.8
276.20203	0.9
277.21426	1.0
283.15396	1.0
291.19427	1.6
293.17731	0.8
293.21124	2.5
293.24200	0.8
303.15790	0.8
319.03210	0.9
331.22458	1.2
349.23682	16.7
350.24338	1.0
367.24878	1.0
399.23773	2.1
407.27795	1.1
409.25778	20.1
413.21570	2.2
423.27362	79.6
424.27997	1.2
463.30655	1.4
503.33670	24.7
521.34839	7.4
527.37384	4.5
539.33325	0.9
543.28204	1.3
556.36536	1.0
557.34631	1.9
559.36200	1.7
567.31342	3.4
577.37488	3.9
657.55347	0.9
700.38403	1.2
718.39069	1.4
719.39777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30209	0.5
56.96556	35.1
57.03395	0.5
69.03405	1.8
69.94805	2.8
71.95252	0.5
73.02897	1.5
74.26849	0.5
74.97622	0.8
76.82050	0.5
78.35692	0.5
79.05466	1.0
84.96015	2.3
85.02903	4.2
87.65400	0.5
89.03898	6.5
90.04230	0.9
91.04034	0.6
91.05471	2.0
95.04965	0.9
97.02895	2.9
98.20744	0.7
98.97567	20.0
102.96969	0.5
107.04949	2.4
110.97569	1.1
112.99109	0.6
115.00684	4.4
115.03909	0.5
116.98604	26.9
117.03377	6.9
118.03690	0.7
119.01866	1.1
119.04927	4.1
120.05254	0.5
123.04427	1.0
124.99089	3.2
127.00687	0.9
127.03928	2.0
128.98582	2.1
131.00162	1.5
133.00764	0.6
133.01721	8.0
134.99641	26.6
135.04390	17.7
136.04668	1.3
136.06181	0.9
139.00671	0.8
140.00174	0.8
140.98549	0.8
141.02203	1.1
141.49982	0.5
143.00148	16.6
143.01868	1.1
145.01720	1.4
145.02798	10.4
145.04926	1.8
146.03160	1.4
146.99663	2.6
147.03362	0.6
147.04385	14.3
148.04692	1.3
149.01193	2.9
149.04869	0.6
151.00572	0.8
151.02753	1.6
153.00703	6.5
157.01689	3.1
158.01180	1.6
158.99649	8.2
159.03262	5.0
161.01208	28.0
161.02740	1.1
163.03885	100.0
164.04211	13.7
166.98924	0.5
167.00208	2.3
168.98061	0.6
169.01682	4.1
170.99576	2.5
171.31645	0.6
173.01263	0.6
173.03136	0.9
173.04860	4.6
173.19829	0.5
175.00479	0.7
175.01317	0.9
175.02769	13.5
177.00697	16.5
177.04306	0.9
179.02267	4.0
182.99658	0.7
184.02759	0.9
185.01202	16.7
185.02704	0.7
186.99115	3.5
187.02765	7.2
188.99071	0.8
189.00702	6.0
191.02309	1.2
191.03879	2.8
191.05898	1.8
191.54156	1.1
193.01753	2.7
193.03815	4.4
195.00067	0.9
195.01755	4.0
197.02876	0.7
198.04343	0.8
199.02792	0.9
200.02324	0.7
200.04373	1.7
200.98772	0.8
201.00668	11.3
203.00522	1.0
203.02271	14.0
203.03854	0.6
205.00175	4.0
205.03894	2.7
206.99913	0.6
207.01755	1.2
208.02768	0.8
209.01230	2.2
211.02797	5.4
213.00705	6.0
217.03822	2.6
218.99715	3.8
219.01750	18.5
220.01970	0.6
221.01279	1.0
221.03268	5.5
225.00664	1.4
227.02129	0.9
229.03813	3.0
231.01730	8.9
237.00679	28.0
237.02826	6.9
242.03444	1.5
243.01778	1.8
245.05006	1.8
249.02779	7.6
255.01727	48.9
256.02209	1.3
259.04941	3.2
260.02258	1.0
261.02783	5.9
263.05902	0.6
267.03879	3.3
269.03455	0.9
272.06656	1.3
272.56598	1.0
273.02777	57.7
274.03201	1.0
277.05789	2.9
278.03110	2.8
279.03812	3.9
281.07007	4.6
281.57187	1.5
282.07327	1.4
285.04880	0.8
287.02255	3.2
287.05695	0.9
291.03757	3.1
296.04422	1.4
297.02670	0.8
301.03848	0.6
303.03842	6.4
305.03299	3.7
305.06650	0.8
309.04764	1.3
315.01788	1.9
319.04813	1.0
321.05243	2.6
323.04309	10.1
331.01300	0.9
331.04749	0.9
333.02472	0.9
341.05347	2.0
345.05151	0.8
347.04315	6.7
349.02188	1.7
349.05859	1.1
351.05963	0.8
354.70337	0.6
357.02774	0.8
362.09708	5.3
362.59854	4.5
363.05948	16.9
363.10013	1.8
365.05365	6.6
367.03278	2.3
368.08578	4.3
368.58893	2.6
369.08920	0.7
374.07523	1.7
374.57675	1.8
375.03561	2.6
383.06580	3.2
385.04620	0.6
393.04773	9.6
411.05902	36.3
412.06287	1.3
429.07016	51.4
430.07281	1.6
434.07297	4.0
447.07806	1.4
451.09061	25.8
452.08765	3.4
453.06940	15.5
469.10156	26.1
471.07947	3.4
492.11896	3.2
493.10287	1.2
494.09671	0.8
495.07886	4.3
513.09094	1.3
525.10858	0.7
537.08936	2.7
539.61194	0.7
540.11548	0.7
543.11548	0.9
555.10114	33.1
556.10565	1.1
573.13068	2.5
574.13739	0.9
717.17987	0.8
735.16040	1.4
747.14398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5505
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03934	0.7
55.01847	0.4
55.05505	5.0
56.05037	3.6
56.17144	0.3
57.03410	0.4
57.07065	3.2
58.02931	0.3
58.06583	0.7
60.04513	2.5
61.02896	0.4
65.03924	0.7
65.04865	0.2
67.05492	11.2
68.05016	0.8
69.03410	1.2
69.07057	7.4
69.60981	1.6
69.61413	1.2
70.06580	2.1
71.08596	1.2
77.17410	0.3
79.05482	8.9
80.05004	2.7
81.03414	0.4
81.05759	1.0
81.07045	10.7
82.06565	6.6
83.08609	4.8
84.08110	0.4
85.02882	2.0
85.10148	0.9
86.06057	0.3
91.04935	0.6
91.05467	7.7
93.05795	0.5
93.07031	8.5
94.06553	16.6
95.04945	0.9
95.07332	7.8
95.08592	8.2
96.07530	0.3
96.08118	4.7
97.02867	1.0
97.10154	2.7
98.06049	0.5
99.04449	0.3
100.07606	0.3
104.30128	0.3
105.04506	0.4
105.07009	5.7
107.07352	0.4
107.08582	5.1
108.08092	2.7
109.10146	3.7
110.09643	0.6
111.11714	0.6
111.42594	0.3
119.08571	5.4
121.08847	0.5
121.09190	0.3
121.10130	5.7
122.09674	2.3
123.11642	1.5
124.11190	0.4
133.10107	3.7
134.09651	0.4
135.10562	0.6
135.11650	3.5
136.11174	0.7
137.13231	0.9
145.04933	0.3
147.11688	1.6
149.13219	0.9
150.12807	0.4
151.14792	0.4
161.13274	0.8
163.14758	0.6
175.14835	0.4
175.63528	0.3
184.07245	0.4
189.16386	0.4
191.17970	0.4
193.19487	0.5
205.19545	0.4
219.21097	0.5
233.22607	3.3
234.22145	0.5
245.22601	4.2
248.23985	0.3
250.25276	8.4
251.25458	0.3
254.24744	1.2
260.23700	0.4
262.25262	100.0
263.23224	0.4
263.25775	3.2
264.26868	0.4
272.25787	5.2
280.23474	0.3
280.26303	6.4
282.24249	0.4
305.79242	0.3
312.25189	0.6
314.26904	0.4
378.14362	0.3
442.31464	0.6
504.47754	5.6
516.47705	31.7
517.48254	1.6
518.49146	5.7
534.48749	20.8
535.48901	1.4
696.54028	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	714.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
54.63010	0.2
55.05503	5.8
55.92556	0.3
56.04786	0.3
56.05037	3.9
57.07073	3.9
57.53676	0.2
58.06585	0.8
60.04515	2.1
61.02884	0.3
65.03931	0.7
67.04243	0.4
67.05144	0.6
67.05496	10.8
68.05009	1.1
69.03420	1.3
69.07060	8.3
70.06585	2.1
71.08629	1.6
73.02914	0.3
74.26505	0.3
79.05025	0.5
79.05482	9.2
80.05006	2.4
81.03416	0.3
81.05771	1.1
81.07046	10.1
82.06574	6.7
83.08604	5.0
84.08124	0.4
85.02898	2.1
85.10155	0.8
86.05993	0.3
91.05472	7.7
93.05776	0.4
93.06435	0.4
93.07031	9.9
94.06555	18.1
95.04946	1.0
95.06788	0.4
95.07344	7.1
95.07991	0.6
95.08591	7.6
96.08118	4.9
97.02863	1.2
97.06506	0.5
97.10149	3.0
100.07590	0.4
105.07023	5.2
107.07372	0.4
107.08582	5.2
108.08105	3.3
109.10148	3.8
110.09666	0.7
111.08076	0.3
111.11715	0.7
114.32397	0.3
119.08565	5.8
121.08831	0.4
121.10136	5.5
122.09648	2.4
123.11668	1.1
124.11207	0.8
127.03848	0.4
133.10114	3.8
135.10443	1.0
135.11664	2.9
136.11182	1.1
137.13248	0.5
145.04933	0.4
147.11707	1.5
149.13206	1.1
151.14815	0.5
161.13222	0.4
163.14751	0.4
165.16301	0.3
175.14758	0.3
193.19589	0.4
219.21083	0.6
229.46910	0.4
233.22633	3.2
234.22232	0.4
245.22629	5.2
250.25278	7.3
254.24799	1.0
257.70868	0.3
262.25269	100.0
263.23291	0.6
263.25803	2.8
264.26849	0.4
272.25809	5.6
280.26300	6.6
282.24136	0.3
310.27264	0.3
312.25012	0.4
314.26794	0.4
368.31500	0.6
442.31607	0.6
504.47702	5.4
505.49203	0.4
516.47723	33.8
517.48181	1.8
518.42725	0.2
518.49225	6.2
534.48749	20.8
535.49072	1.2
696.53918	6.6
697.53705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05502	1.6
57.03427	2.7
57.07068	0.5
58.46833	0.4
60.08158	0.9
61.02918	3.9
67.05496	3.0
69.03425	1.8
69.07065	1.5
70.16994	1.1
70.17384	1.2
71.04990	0.7
73.02904	2.7
79.05483	2.8
81.03419	4.0
81.07041	2.9
82.07370	0.7
83.01095	1.0
83.04974	1.5
83.08599	1.0
85.02899	5.6
86.09698	3.4
91.03946	3.0
91.05464	2.5
93.07042	2.1
95.01065	0.5
95.04968	1.9
95.08587	1.1
96.01857	0.5
97.02888	3.5
97.06541	0.9
97.10154	0.8
99.04444	0.9
101.02383	1.2
103.03944	0.6
105.07024	1.9
107.08596	1.6
109.02872	0.8
109.10165	0.9
111.04458	0.5
111.08087	0.9
115.04028	0.6
119.08572	1.5
119.60117	0.4
121.10147	0.9
123.04272	0.8
125.00008	1.8
125.09654	0.8
127.03926	1.4
127.11207	0.8
129.05479	2.4
129.06973	1.0
131.08549	0.9
133.10100	1.0
137.05818	0.4
139.03792	0.5
143.07076	0.4
145.04948	0.7
145.10208	0.6
147.11699	1.1
147.14166	0.5
149.09619	0.6
154.76575	0.4
157.10118	0.6
159.06551	0.4
175.11122	0.9
181.04778	1.2
184.07326	9.4
185.04189	6.0
185.07695	1.4
193.12192	2.2
195.06424	0.5
199.05771	0.7
199.13362	0.8
201.03754	2.2
203.05179	0.6
207.02943	0.4
209.08217	0.5
211.13249	0.8
221.11595	0.6
227.05247	0.6
241.06866	0.9
243.08366	4.7
251.12549	3.1
259.07858	0.5
265.14249	0.6
267.16010	0.5
277.14175	1.6
286.17368	0.6
291.15732	1.0
301.08914	16.7
307.15128	1.0
313.08890	0.8
315.10541	3.2
317.08533	0.8
327.10507	1.3
329.12094	1.0
341.12100	1.1
343.13678	0.6
349.16211	3.1
357.15271	1.4
363.17615	0.5
367.17267	1.5
369.15332	0.8
371.16797	1.5
373.10965	5.9
380.54538	0.5
383.16794	3.6
385.18335	8.0
387.12671	1.0
395.16632	2.2
413.17563	0.5
415.16003	0.8
423.19684	0.5
429.17249	1.8
433.25293	2.5
439.19455	1.6
441.21042	0.8
443.18985	6.8
457.20428	1.1
469.20419	15.3
470.20572	0.6
479.26245	0.6
483.22360	1.1
484.18985	0.6
485.19632	4.4
499.21265	4.7
511.21649	1.2
513.23218	0.6
527.20868	0.6
527.28308	1.5
528.21838	4.7
541.22510	7.8
555.24554	1.3
569.25189	2.2
571.12756	0.5
583.28430	1.5
597.28711	0.6
611.30383	5.3
612.31201	3.7
625.32098	0.7
641.31506	0.5
651.33478	0.8
653.31519	1.2
663.37085	1.7
667.32739	1.3
695.32611	1.8
713.33417	100.0
714.33765	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	712.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
53.85100	2.2
55.05499	6.0
57.07051	6.8
58.99040	1.9
65.69273	2.0
67.05492	15.8
69.07057	28.4
69.69785	4.4
69.70199	14.6
71.04992	4.6
71.08621	2.6
78.58307	1.9
79.05473	14.7
81.07046	29.3
82.14174	1.9
83.01305	4.1
83.04928	2.2
83.08633	2.3
91.05466	18.0
93.07031	35.8
93.73580	2.4
95.04934	5.1
95.08592	25.6
97.10154	3.0
97.21099	2.0
105.07023	30.7
107.07845	2.4
107.08578	44.6
109.06498	2.6
109.10146	21.3
111.91843	2.1
112.53956	2.0
119.08563	25.8
121.06487	4.0
121.10118	30.4
123.04418	10.7
123.08065	2.5
123.11676	17.9
124.20141	2.2
131.08530	7.9
133.10097	22.2
135.08058	5.1
135.11671	46.3
137.13249	3.7
143.08516	2.9
145.10078	12.2
147.08023	4.2
147.11668	40.3
149.09624	4.4
149.13202	4.5
153.05405	5.0
155.08508	4.7
157.10161	2.9
159.08037	4.6
159.11664	8.6
161.13203	6.3
162.06796	3.1
163.07474	3.8
165.05466	34.9
167.06995	7.1
171.11642	3.3
175.14774	3.9
177.09105	15.0
177.16362	2.8
183.11617	2.3
185.13185	2.1
187.07489	2.5
187.14790	3.3
189.09067	2.0
189.16403	4.3
191.17868	2.6
201.16367	9.2
201.48589	2.0
203.17923	46.3
204.18329	3.1
205.08563	73.9
206.08894	2.7
219.10080	2.3
221.11696	6.9
223.09602	100.0
224.09875	3.0
231.17552	3.0
239.09117	7.6
246.25714	2.2
259.13327	3.2
287.16306	21.7
289.14447	2.7
291.15887	4.1
298.37271	2.3
311.20248	2.3
337.21860	2.4
341.20990	3.2
345.20544	31.1
353.87024	2.0
355.22623	13.4
357.20502	5.2
361.20035	7.4
367.29828	6.1
379.21271	3.7
395.89078	2.2
411.25323	6.1
413.26779	41.4
414.27051	4.3
425.26620	8.7
427.24875	3.9
429.26190	5.3
447.32776	2.7
461.30734	2.3
481.32867	8.5
516.86908	2.4
517.37012	2.1
547.37524	7.6
563.37299	4.7
597.48962	2.7
615.44287	14.5
620.08160	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	712.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03925	1.9
55.01846	1.4
55.05499	13.8
55.91962	0.5
56.05824	0.5
56.42190	0.5
57.03156	0.8
57.03427	13.2
57.03714	1.1
57.07065	3.8
59.04976	1.3
59.78748	0.4
61.02912	2.6
62.02303	0.5
65.03925	1.8
67.05493	54.7
69.03422	1.5
69.07059	15.4
69.97691	2.2
71.01337	1.9
71.04984	4.0
71.08603	1.5
73.02901	0.5
77.03905	0.9
79.05479	40.6
81.03405	3.1
81.07042	43.3
82.07356	0.8
83.04966	7.5
83.08605	6.7
85.02912	3.1
85.06535	2.7
91.03976	1.1
91.05466	20.0
93.07027	53.3
94.07352	0.7
95.04964	5.8
95.08589	27.8
97.02875	1.7
97.05891	0.4
97.06505	9.3
97.10143	7.9
99.04526	0.7
99.08069	1.7
100.51718	0.5
105.04529	0.8
105.07015	10.8
107.04968	0.9
107.08572	34.0
108.08874	0.6
109.06501	1.7
109.09394	1.1
109.10134	15.3
111.08070	3.1
111.11694	0.7
117.06994	6.2
119.08564	10.3
121.06488	1.8
121.10126	15.9
123.08057	1.2
123.11724	3.5
125.09617	1.5
129.06966	0.7
130.07771	0.9
130.38171	0.5
131.08545	5.5
133.10112	7.2
135.08084	1.0
135.11668	41.0
136.12045	0.7
137.09584	2.0
137.13206	0.9
142.07747	0.5
143.08546	0.7
145.10106	9.5
147.11649	3.2
149.13231	3.4
151.11153	1.4
153.12735	1.9
159.11681	3.4
161.13255	2.7
163.11160	4.5
163.14827	1.8
173.13210	3.1
175.14848	1.2
177.16440	0.5
181.12198	7.3
184.07378	0.9
187.14761	2.1
191.03767	0.5
197.13274	0.5
199.13202	1.1
202.67818	0.6
206.39587	0.5
227.12743	0.7
243.20972	3.0
253.14354	2.1
255.15877	55.1
256.16220	1.9
261.22083	12.0
317.24634	2.3
333.24313	1.0
335.25751	44.2
336.26001	2.1
381.49826	0.6
403.29657	0.5
423.32578	2.3
441.33685	0.7
455.27963	0.7
467.37180	4.5
468.37610	0.6
487.25275	0.7
497.36166	1.1
515.37250	100.0
516.37537	8.7
523.39569	0.7
533.38434	2.0
571.41833	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	710.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05504	0.9
56.05027	0.6
57.03424	1.0
58.06356	0.2
58.06623	0.4
60.08153	6.2
61.02913	0.2
67.05493	2.3
69.03416	0.4
69.07057	0.6
69.12429	0.1
69.66531	1.1
71.04977	0.3
71.07363	2.5
73.02915	0.2
74.86829	0.1
78.23889	0.1
79.05488	2.1
81.03403	5.4
81.07037	2.1
82.03754	0.2
83.04969	1.2
83.08602	1.5
84.08125	0.1
85.02882	1.3
85.06499	0.2
86.09692	28.7
87.04420	0.1
87.10018	0.3
91.03900	0.1
91.05466	2.6
93.07031	1.5
94.07394	0.2
95.04952	2.7
95.08602	1.0
97.02894	0.2
97.06506	0.5
97.10172	0.3
98.98444	2.5
99.08075	0.1
104.10025	0.1
104.10719	2.3
105.07008	1.9
105.99036	0.1
107.04944	0.6
107.08584	1.2
109.06501	0.4
109.10159	0.6
111.04426	0.3
111.08068	0.8
113.05984	0.2
115.05431	0.1
117.06993	0.4
119.08562	1.7
121.06480	0.3
121.10130	0.8
123.04415	0.2
123.08041	0.3
123.11700	0.2
124.99983	19.9
125.09603	0.3
129.05524	0.1
129.06953	1.1
131.08536	1.1
133.06444	0.3
133.10106	1.5
135.08031	0.3
135.11674	0.3
137.09613	0.3
142.07707	0.3
143.00995	0.3
145.10118	0.3
147.08017	0.3
147.11676	1.3
149.09573	0.7
151.11197	0.4
157.10153	1.3
161.09573	0.3
163.11150	0.4
165.12729	0.4
166.81326	0.1
173.09587	0.2
175.11153	1.2
184.07314	100.0
185.07632	1.3
191.10796	0.2
193.12234	2.9
194.12482	0.1
211.11246	0.2
211.13261	2.1
212.13728	0.2
227.12794	0.3
253.14365	0.1
265.14392	0.1
267.15881	5.1
268.16254	0.3
283.15280	0.2
285.16885	2.9
286.17416	0.2
302.17361	0.4
320.18274	0.2
349.21527	0.2
353.21008	0.2
367.22546	0.3
385.10553	0.1
385.23825	0.6
403.24548	0.4
433.25864	0.2
441.26108	0.3
445.25702	0.8
450.22687	0.2
459.27374	3.9
460.27515	0.3
463.26639	0.5
477.28381	5.8
478.28751	0.3
481.28067	0.2
495.29407	1.7
496.29861	0.2
548.31250	0.3
621.33008	0.2
642.34100	0.2
660.34979	15.7
661.35431	1.3
710.35889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84484	0.4
53.03932	2.2
55.01857	2.4
55.05504	11.0
57.03159	1.0
57.03429	12.0
59.05001	0.5
61.02905	1.2
63.93193	0.5
65.03942	0.9
67.05499	17.6
69.03423	3.8
69.07050	4.4
69.72945	0.8
69.73355	3.1
71.01335	0.8
71.04973	2.9
73.02908	0.6
79.05484	17.2
81.03409	79.6
81.07047	17.4
82.03729	1.2
83.04969	10.7
83.08613	22.9
85.02898	10.6
85.06529	1.8
86.09715	1.1
91.05471	22.6
92.05822	0.6
93.07035	13.7
95.04959	27.7
95.08586	7.2
97.02878	3.2
97.06523	2.9
97.10163	5.5
99.08057	0.6
101.33214	0.5
103.05440	0.6
105.07017	16.3
107.04940	8.2
107.08585	7.2
109.06502	4.1
109.10153	3.3
111.04436	2.3
111.08073	10.2
113.06006	0.6
115.05448	1.6
117.07005	2.0
119.04925	1.3
119.08567	15.5
121.06494	4.2
121.10130	7.6
123.04424	0.9
123.08029	2.9
123.11703	1.4
124.99960	1.0
125.09612	3.6
127.07565	0.6
128.06187	0.8
129.06993	10.8
129.59064	0.5
131.04945	1.0
131.08560	10.8
133.06499	4.0
133.10112	9.2
135.08005	1.2
135.11649	1.1
137.06003	0.7
137.09598	2.4
141.06949	0.9
142.07800	1.9
142.89403	0.5
143.08572	0.8
145.06491	4.0
145.10060	2.7
147.08037	3.7
147.11671	12.2
149.09595	7.0
155.08482	0.7
157.06491	0.8
157.10114	14.7
159.08104	0.7
159.11679	0.8
161.05962	0.8
163.11153	1.8
165.12729	2.9
167.08614	0.6
169.10143	1.2
171.07982	0.8
171.11662	0.6
173.09622	1.0
173.11758	0.7
175.11160	12.9
183.08047	0.6
184.07347	4.7
185.09624	0.6
185.13309	0.8
189.11317	0.9
189.12732	1.0
189.38771	0.5
193.12224	35.9
194.12572	1.1
195.11653	1.4
197.13332	0.7
205.12215	0.9
209.13290	0.6
211.11270	1.0
211.13260	15.8
211.14810	0.6
212.13806	0.6
213.12703	0.7
215.14378	0.7
219.13747	1.1
227.12630	0.7
227.14587	0.7
227.21400	0.5
229.14360	1.2
233.15361	1.6
237.12726	0.8
249.14847	2.0
255.13773	1.6
259.15381	0.7
262.43106	0.6
267.15887	100.0
268.16141	3.4
273.14871	4.0
285.16931	15.8
286.17050	0.6
297.97418	0.5
299.16290	0.6
299.50089	0.6
301.14316	0.8
309.16751	0.8
339.23410	1.0
341.21057	1.9
349.21857	2.4
367.22687	7.6
368.23254	0.6
385.23663	10.7
403.24786	3.4
405.24240	0.9
415.24634	1.1
423.24966	0.8
433.25821	14.2
434.25925	0.8
441.26282	5.6
442.27045	0.6
459.27396	67.4
460.27765	4.4
477.28445	45.6
478.28580	3.2
495.29291	1.8
519.29199	1.5
585.30725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04251	0.5
63.47815	0.5
67.05499	0.5
68.51662	0.4
69.03413	0.6
69.66309	3.9
70.06554	0.8
85.02889	0.5
91.05486	0.7
93.07027	1.4
94.06558	1.9
95.04942	0.6
95.07353	0.6
96.08109	4.3
97.02879	1.8
97.06504	0.5
98.56102	0.5
103.05457	0.6
108.08108	3.4
110.09659	6.3
118.06592	0.5
120.04459	1.7
120.08095	4.4
122.06026	1.3
122.09610	0.6
124.07558	0.8
136.07550	3.7
137.75745	0.5
138.09131	8.7
139.03903	1.5
146.05974	0.8
147.04398	0.8
148.07553	1.7
152.07072	1.1
153.05460	0.8
166.08621	9.2
167.07028	0.7
172.03941	2.1
180.10226	0.6
190.04929	1.7
194.08112	0.8
196.09859	0.9
204.06567	1.7
209.10713	0.8
212.09505	0.6
213.10228	1.0
217.08443	0.5
223.08778	0.5
223.12300	0.7
225.10211	1.6
227.11620	0.6
235.08632	1.2
236.09409	1.0
237.10196	4.4
239.08041	0.7
239.11852	1.9
241.09584	0.8
245.12965	0.7
248.09459	1.0
249.10231	4.4
250.10950	1.6
251.08211	1.8
251.11772	4.9
252.12531	1.3
253.09761	3.3
253.13217	0.7
254.10480	0.6
255.06462	0.9
255.11432	1.5
261.10254	2.0
262.11047	0.9
263.07925	0.6
263.11758	2.8
265.09698	6.3
266.10495	1.3
267.11295	3.6
271.10733	1.9
277.09702	1.7
278.10562	3.4
279.07657	3.3
279.11282	7.1
280.12015	2.0
281.09204	3.0
281.12793	1.4
282.10013	1.0
283.10748	6.4
284.11374	0.6
285.12332	2.4
287.10675	0.6
287.13870	1.3
289.09662	5.3
291.11203	2.5
293.09180	1.6
293.12866	4.6
294.09964	4.5
295.10712	3.6
295.14117	1.2
296.11545	1.4
297.09079	0.7
297.12360	1.7
299.10144	1.9
299.13733	1.0
303.13412	1.8
306.09985	1.2
307.10712	2.9
308.11526	1.4
309.12350	2.4
311.10260	5.5
311.13910	2.8
312.11130	2.5
313.11826	1.8
314.12531	0.8
317.09079	1.2
323.10263	2.1
323.13895	1.3
324.11002	2.3
325.11697	3.2
326.12619	3.7
327.13351	7.9
335.10217	7.4
337.11551	1.3
339.13358	48.7
340.10437	2.5
340.13989	1.1
352.10538	1.7
353.11053	1.3
354.12115	6.2
355.12811	15.0
356.13330	0.6
357.14532	1.1
358.15488	0.8
367.12842	38.2
371.12128	0.7
374.14752	0.8
386.14905	1.6
387.15692	1.2
399.15485	0.9
404.16147	0.7
415.15109	1.2
418.17657	0.7
447.17789	1.2
448.19006	0.7
460.18527	1.6
462.16263	0.7
474.16638	1.9
479.20435	3.0
488.18015	7.9
492.21420	5.2
520.20746	100.0
521.21039	2.4
538.21832	4.2
552.23352	65.6
553.23773	1.0
625.22351	0.6
627.24384	8.2
659.27356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05495	1.0
60.97962	0.3
63.02361	0.3
65.03928	2.7
67.05499	3.8
67.16695	0.3
68.99788	0.5
69.03421	3.4
70.06593	0.3
71.01301	0.3
71.78948	0.3
73.01044	0.3
79.05476	0.7
83.04969	12.2
85.02888	4.4
87.04458	0.3
89.03906	4.8
91.05461	1.0
93.03394	8.6
95.04960	2.5
99.00796	2.3
107.04930	2.6
111.04429	23.0
112.04758	0.4
115.03876	0.6
117.01849	0.9
117.03358	5.0
119.04923	2.0
121.02858	3.8
123.04419	2.5
129.05464	11.4
135.04399	17.7
137.02301	0.9
139.03882	16.0
145.02834	11.2
147.04387	8.5
147.05307	0.2
147.06410	0.3
153.06996	0.7
157.04947	12.6
161.37518	0.3
163.03882	100.0
164.04213	2.4
175.06000	12.0
177.06975	0.8
181.04982	0.5
181.06441	1.0
191.03337	0.3
195.08018	0.7
199.07532	0.8
203.03340	1.3
205.06459	3.9
217.07069	0.5
223.07500	3.6
227.07164	0.7
231.06471	0.3
233.06038	3.8
235.07474	0.3
244.07307	0.4
245.08099	0.8
250.06111	0.4
251.07011	8.7
252.07327	0.5
255.06598	0.4
261.05350	1.8
269.08078	5.9
273.06021	7.4
279.03409	0.7
279.06491	14.8
280.06857	0.8
283.05957	1.5
289.04874	0.4
295.05988	1.1
296.06366	0.5
297.07535	14.4
298.07864	0.7
307.05969	5.0
308.06528	0.6
319.08084	0.5
325.07040	11.5
326.07278	0.4
337.09241	1.2
343.08093	2.5
355.10223	1.0
447.11264	4.5
483.12683	0.8
499.12338	9.1
517.13129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52609	0.8
51.10215	0.7
51.32133	0.7
51.81952	0.9
53.03936	3.1
55.01856	2.9
55.05503	19.7
57.03431	13.5
57.07061	1.6
59.04991	1.9
61.02916	5.8
65.03930	2.2
67.05494	69.5
69.03428	6.4
69.07061	13.5
70.97807	1.6
71.04984	27.1
73.02910	1.4
79.05482	36.0
81.03407	55.3
81.07045	100.0
82.07375	1.1
83.04971	15.0
83.08610	25.4
85.02893	18.7
85.06523	10.8
87.04449	1.0
91.03929	1.4
91.05466	45.0
93.06431	1.7
93.07029	32.9
95.04954	24.4
95.08597	15.2
97.02866	5.8
97.06519	9.0
97.10155	5.4
99.04438	0.9
99.08080	2.5
101.05972	0.9
103.03958	1.0
105.07014	29.1
107.04939	7.9
107.08580	20.5
109.06492	7.1
109.10141	11.3
111.04445	2.6
111.08073	11.5
113.05993	2.4
113.09699	0.9
115.05462	1.4
117.06983	5.9
119.08563	17.1
121.06492	2.9
121.10128	14.9
121.36060	0.8
123.08051	3.1
123.11676	14.8
125.05988	0.8
125.09615	3.2
127.03905	1.2
127.07553	1.5
129.06989	10.2
131.08542	14.2
131.09464	1.2
133.06487	2.4
133.10109	29.8
135.08115	1.0
135.11673	6.1
137.05884	1.0
137.09586	1.3
142.07761	2.0
145.10106	3.2
147.08054	3.4
147.11668	16.2
149.09569	6.4
149.13239	9.2
151.11172	10.1
157.10109	13.9
159.11684	6.9
163.11163	2.7
165.12759	3.3
167.14296	1.2
169.12230	1.8
173.13263	1.0
175.11157	14.4
177.12749	3.6
183.13840	2.2
184.07349	1.6
187.13272	5.1
193.12213	34.5
195.13762	4.1
200.22562	0.9
203.98270	0.9
211.13274	30.9
213.35225	0.8
223.13220	1.3
225.14882	2.8
229.14322	3.7
243.15900	3.2
249.14874	1.5
253.18076	2.9
257.17456	2.2
267.15878	33.3
269.17441	25.6
275.20245	1.4
277.14639	0.8
283.15436	1.3
285.16916	21.7
301.20001	19.2
343.22873	1.0
349.23703	4.6
369.24509	1.5
417.26270	2.4
435.27380	33.6
436.27722	1.9
439.26785	1.2
443.27856	5.5
449.28540	1.0
453.28409	67.4
454.28854	3.1
461.28922	90.1
462.29349	3.5
462.39771	0.9
467.30081	8.5
479.29996	68.8
480.30310	3.4
493.32175	4.3
511.32739	57.3
512.32678	2.3
529.29443	1.0
655.36487	1.5
684.00427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.01849	1.1
55.05507	5.3
57.03432	7.0
57.07045	0.7
61.63739	0.4
65.03901	0.7
67.05496	22.8
69.03399	1.1
69.07063	7.7
70.13953	1.9
71.04979	3.0
73.02885	0.7
79.05487	14.2
80.05810	0.3
81.03408	35.7
81.07045	28.8
82.07335	0.6
83.04967	4.3
83.08609	12.3
85.02873	1.0
85.06526	1.7
91.05469	11.6
93.07033	20.9
95.04958	12.9
95.08014	0.7
95.08590	7.6
97.02863	1.4
97.06526	4.5
97.10121	1.5
99.04397	0.5
99.08058	1.0
105.06357	0.4
105.07012	7.4
107.04935	2.9
107.08582	11.8
109.06532	2.0
109.10146	1.9
111.04400	0.8
111.07446	0.4
111.08075	5.5
111.11740	0.4
113.05975	0.5
113.09617	0.5
115.05386	0.4
117.07022	3.4
119.04856	0.6
119.08575	5.7
121.06470	1.5
121.09276	0.5
121.10129	9.9
123.08024	1.3
123.11666	1.3
123.76911	0.3
125.09589	1.0
126.48071	0.3
129.06987	3.8
131.07640	0.6
131.08556	6.9
133.06439	1.3
133.10115	4.1
135.07988	0.8
135.11667	3.6
137.09573	0.5
142.07756	0.8
145.10094	0.7
147.08026	1.4
147.11676	4.0
149.09651	2.6
149.13234	12.4
151.11172	1.1
157.10117	5.4
159.11665	5.8
163.11122	0.6
165.12718	1.3
175.11166	5.2
177.12727	3.1
193.12218	12.4
194.12589	0.5
195.13759	3.7
211.13246	1.4
213.14844	0.6
214.13080	0.3
217.15857	0.4
223.13211	0.4
235.13255	0.4
249.14874	1.1
267.15887	44.5
268.16229	1.5
269.17450	48.9
270.17752	1.4
369.24075	0.9
387.25308	0.7
417.26270	1.0
435.27396	4.4
443.27939	1.3
461.28937	100.0
462.29239	6.4
479.30081	2.4
503.30145	1.7
511.32483	1.0
569.31097	0.7
587.32153	0.6
605.32599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01871	4.7
55.05503	23.1
56.05851	1.0
57.03431	20.9
57.07066	1.7
57.35173	0.9
59.04977	2.3
61.02920	7.0
65.03934	3.3
67.05496	84.0
68.05814	1.8
69.03423	6.0
69.07059	14.0
71.04608	1.5
71.04982	22.2
73.02902	4.0
79.05015	2.2
79.05481	42.3
80.05816	1.3
81.03408	67.5
81.07044	100.0
82.03734	1.7
82.07383	2.0
83.04964	16.5
83.08604	26.7
85.02898	18.6
85.06535	10.0
86.09709	2.6
87.04465	1.7
91.03942	2.5
91.05470	49.7
92.05802	2.3
93.07030	39.5
95.04957	30.0
95.08588	22.4
96.05183	1.0
97.02866	8.2
97.06524	9.9
97.10143	6.3
99.04449	1.6
99.08081	3.3
105.04471	1.2
105.06323	2.2
105.07015	35.2
106.07337	1.5
107.04942	12.8
107.08580	26.9
109.02849	1.1
109.06522	7.9
109.10139	16.6
111.04424	3.9
111.08062	12.1
113.05986	2.2
115.05422	1.4
117.07011	7.8
119.08567	24.0
121.06483	3.5
121.10124	17.7
123.04451	1.9
123.08083	4.0
123.11687	14.1
125.09608	4.5
127.03899	2.0
127.07531	1.2
129.05444	2.5
129.06987	12.5
131.08559	16.8
133.06480	2.8
133.10107	30.4
134.10361	1.3
135.08037	2.0
135.11674	8.8
137.09579	3.0
142.07756	3.1
145.06494	1.5
145.10107	6.2
147.08032	4.8
147.11664	15.6
147.12733	1.7
149.09602	7.4
149.13223	8.0
151.11183	7.0
157.10091	13.6
159.11716	6.6
163.11130	5.3
164.11436	1.3
165.12700	5.3
169.10185	1.6
169.12260	1.3
171.11552	1.1
173.11748	2.4
175.11188	16.2
177.12785	3.1
181.12273	1.8
183.13811	1.7
184.07329	5.9
187.11363	1.0
187.13283	3.1
189.11124	1.5
191.10561	1.5
193.12230	33.3
193.13992	1.7
194.12532	1.4
195.13840	7.0
199.13231	1.6
209.11740	2.2
211.13255	26.6
211.15132	1.5
213.14714	1.1
225.14740	1.9
227.12668	2.0
229.14317	7.8
243.15865	2.8
244.16066	1.0
249.14769	1.4
253.17923	1.9
255.15897	2.8
257.17410	1.7
261.18500	1.0
267.15884	54.6
268.16278	4.0
269.17462	30.2
270.17838	1.2
273.14804	0.9
275.20035	1.7
283.15335	6.1
284.15823	2.2
285.16919	23.1
299.14905	1.7
301.16452	4.3
301.20093	14.3
320.60468	1.1
339.17963	1.0
349.23743	7.7
369.24176	2.8
387.25241	1.6
409.25650	1.5
417.26160	2.7
421.25653	3.2
435.21457	1.3
435.27377	22.2
436.27698	1.8
439.26746	4.5
443.27982	5.9
444.28598	1.3
453.28452	47.3
454.28653	1.4
455.13260	1.3
459.27478	1.6
461.28909	99.0
462.29144	6.1
467.30188	7.1
479.30087	43.9
480.30179	3.7
493.27637	3.3
503.29575	1.4
511.33423	35.1
512.32971	2.7
529.29761	1.7
655.35858	1.6
709.33844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.8
51.85025	0.8
53.03933	3.4
55.01863	16.7
55.05504	36.4
57.03429	30.6
57.07078	4.3
57.07315	0.9
59.04995	1.9
60.02132	1.1
61.02917	8.6
65.03933	2.1
67.05495	53.9
69.03426	10.8
69.07060	13.2
69.58246	3.4
69.58681	4.0
70.04221	0.9
71.01326	1.7
71.04984	7.5
73.02910	8.0
73.70193	0.9
74.03692	0.8
79.05481	47.4
79.59612	0.8
80.06270	1.4
81.03406	90.3
81.07046	45.4
82.04185	5.3
83.04968	30.9
83.05359	0.6
83.08604	35.2
84.02130	1.5
84.05736	1.2
85.02895	30.7
85.06535	4.0
87.04456	1.4
91.03932	3.5
91.05470	49.6
93.07034	29.8
94.07821	1.4
95.04957	47.1
95.08594	16.9
97.02888	9.8
97.06519	12.8
97.10160	18.7
98.07294	7.8
98.21448	1.4
99.04397	1.1
99.08085	3.0
101.06008	2.0
103.05444	1.7
105.04496	0.8
105.07017	31.5
107.04942	17.2
107.08583	21.3
109.02858	1.3
109.06503	7.4
109.10142	14.0
111.03777	1.0
111.04424	5.7
111.08065	18.2
113.06006	3.7
115.03957	1.1
115.05444	0.9
116.04703	15.0
117.05436	1.0
117.07001	5.5
119.04934	1.1
119.08565	26.1
121.06489	4.7
121.10131	14.0
123.08046	8.4
123.11707	2.0
125.05885	1.1
125.09612	20.2
127.03887	1.5
127.07559	1.3
127.11179	1.6
129.05470	35.9
129.06950	16.4
131.08559	18.7
133.06511	3.8
133.10109	18.3
135.08023	4.5
135.11668	6.3
136.08803	1.5
137.09630	5.5
139.07571	1.3
142.07755	4.3
143.07034	7.9
143.10603	1.4
145.06410	0.9
145.10107	5.9
147.08054	5.4
147.11664	21.9
149.09566	10.6
151.11145	1.1
153.09149	1.6
153.12790	3.8
155.08493	0.9
157.07492	0.6
157.08600	18.6
157.10114	20.8
158.05754	2.8
163.11156	11.0
164.11903	1.6
165.12756	5.5
167.06976	0.8
171.06496	3.6
171.10149	7.2
172.10916	0.9
173.09650	2.3
173.11711	5.7
175.09691	1.8
175.11165	25.6
181.12231	3.2
185.08057	2.1
185.11731	1.6
189.11218	9.6
191.10663	2.6
192.11476	1.2
193.12221	79.8
194.12560	1.8
199.09662	1.7
199.13258	16.7
200.14102	2.3
201.14845	1.5
209.11731	11.1
210.12488	1.8
211.13268	100.0
212.13622	1.9
216.03018	0.8
217.14366	0.8
227.12756	18.2
228.13441	1.2
229.14360	3.9
242.14903	1.0
247.13286	2.6
249.14801	1.0
255.15921	3.3
265.14374	1.1
267.15884	32.0
283.15372	13.7
284.16061	1.0
285.16925	74.9
286.17203	1.9
301.16418	83.0
302.16693	1.5
321.16791	1.5
339.17941	2.3
367.21201	1.0
382.26776	0.9
385.23468	0.9
409.25751	5.2
421.25726	1.6
427.27133	5.4
439.26950	15.9
459.27301	3.2
475.26825	3.7
476.27573	3.5
477.28482	5.4
493.27878	19.2
494.28720	6.9
511.28998	77.7
512.29236	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.2
55.01858	6.6
55.05502	29.9
57.03440	13.5
57.07059	6.6
58.55163	1.8
59.04972	3.2
59.44410	1.8
61.02920	5.8
65.03915	4.5
67.05499	100.0
69.03423	20.9
69.07061	30.8
71.04979	39.7
73.02885	3.8
79.05483	61.9
81.03405	48.9
81.07048	66.7
83.04976	18.4
83.08603	12.3
85.02882	9.0
85.06528	5.8
86.09694	2.6
91.03933	2.6
91.05468	64.0
93.07033	63.4
94.01802	2.3
95.04939	18.4
95.08002	4.2
95.08594	49.0
96.64027	2.0
97.02908	15.6
97.06514	11.2
97.10144	8.3
99.04445	6.6
99.08061	4.8
101.02351	2.0
103.03963	2.2
103.05428	3.3
105.07020	52.2
106.07354	2.2
106.93846	2.0
107.04948	8.4
107.08576	40.9
109.02871	8.9
109.06513	8.5
109.10146	51.4
111.04436	5.6
111.08055	4.8
113.05952	2.1
115.05439	4.7
117.07011	23.8
119.04928	2.2
119.08560	44.7
120.11298	2.2
121.06487	4.5
121.10119	24.5
123.08048	5.8
123.11696	5.8
125.09610	3.7
127.03883	6.5
128.06226	5.9
129.05475	5.2
129.06976	17.4
131.08565	32.3
133.06462	3.3
133.10106	27.7
134.10464	2.0
135.08028	6.6
135.11671	22.5
137.09615	8.2
139.11142	4.0
141.06978	8.4
142.07735	2.6
143.08560	20.3
145.06465	4.8
145.10088	30.3
147.08031	4.2
147.11649	19.8
149.09608	7.3
149.13252	7.2
151.11180	9.3
153.06918	2.0
154.07695	3.2
155.08528	10.7
157.06471	3.0
157.10120	20.2
159.08131	3.6
159.11694	24.0
161.09631	6.3
161.13292	10.7
163.03909	2.7
163.11186	8.9
163.14838	1.9
165.07115	2.8
165.09039	2.5
165.12729	3.0
167.08548	5.6
169.10063	11.7
171.08002	3.1
171.11653	14.9
173.04440	16.9
173.05946	6.1
173.09587	2.8
173.11682	11.4
173.13275	12.5
175.11133	2.5
175.14816	5.7
179.08453	3.4
181.08354	1.9
181.10104	6.6
181.12277	4.2
183.11639	10.5
184.07355	6.3
185.09616	3.0
185.13251	9.9
187.07555	2.8
187.11229	2.7
187.13228	3.0
187.14767	5.5
189.11227	2.7
193.10062	2.0
193.12196	3.3
194.81094	1.7
195.11711	6.1
197.09612	2.4
197.13313	10.1
199.07637	3.4
199.14822	6.3
201.05569	5.4
201.12784	2.4
207.11653	2.5
209.13284	5.7
211.11169	2.7
211.13176	3.8
211.14963	4.1
213.12701	2.7
213.14731	2.7
217.04976	5.7
221.13239	2.3
223.14851	3.5
227.10606	2.1
227.16251	2.3
229.14302	9.7
231.77522	2.1
237.16348	2.5
241.15823	2.5
241.19598	6.1
243.15964	6.8
243.20898	3.0
245.17398	3.4
253.14293	4.3
255.15926	4.5
257.18961	5.6
259.20648	11.4
261.22104	4.1
271.15347	2.7
271.20483	2.2
275.19870	3.1
277.21594	3.1
283.20462	2.3
285.17020	2.9
285.22192	2.5
287.18500	5.4
289.21701	2.5
299.19986	2.4
301.21552	3.8
315.23175	4.0
317.24707	2.5
321.22006	2.1
325.21585	2.8
329.13669	4.0
333.24420	9.7
335.25812	10.1
351.23459	3.4
355.15225	4.0
367.22537	5.6
369.24170	3.0
385.16098	3.2
385.23816	3.8
395.29486	3.0
399.19827	2.4
401.75900	2.3
421.31097	2.7
429.18921	4.5
469.33115	2.8
471.34457	2.5
487.34158	24.4
489.35773	32.8
490.35693	2.8
513.35754	43.2
519.36707	4.1
527.37061	3.9
529.34418	2.3
531.36713	2.9
545.38428	19.3
555.36841	2.6
613.37982	2.3
621.37830	3.3
626.15698	2.1
629.40045	2.6
639.38495	4.7
653.40222	10.3
657.39532	8.8
671.41174	8.6
675.40942	13.6
689.42041	16.5
707.42487	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01856	8.6
55.05505	31.2
57.03198	1.7
57.03430	16.1
57.07063	3.5
61.83789	1.5
65.03928	4.5
66.44949	1.5
67.05498	78.6
69.03426	27.2
69.07059	20.8
71.04987	11.1
71.08636	1.6
71.25941	3.6
79.05486	55.2
81.03407	100.0
81.07048	77.1
83.04970	33.8
83.05427	3.0
83.08611	24.8
85.02892	21.7
85.06521	3.7
86.09695	4.0
91.05466	52.1
92.05786	2.0
93.07033	53.7
93.07590	3.5
95.04954	33.5
95.05515	2.6
95.08595	54.6
97.02885	18.2
97.06523	9.7
97.10156	9.1
98.21120	2.0
99.04443	6.2
99.08106	2.1
103.05434	1.6
105.07011	36.3
107.04927	8.4
107.08579	30.1
109.02879	13.3
109.06510	10.1
109.10156	21.3
111.04435	17.1
111.08067	13.5
113.05994	2.2
117.07019	13.9
119.08559	30.7
120.08956	2.0
121.06552	3.7
121.10130	33.8
123.04545	1.6
123.08092	4.6
123.11678	8.3
124.99985	3.2
125.09608	4.1
127.03915	12.3
128.06174	2.3
129.05463	13.6
129.06978	11.2
131.08553	28.6
133.06459	3.8
133.10120	21.8
135.08098	1.6
135.11688	14.4
137.09604	3.2
141.06981	2.4
142.07765	3.1
143.08583	4.5
145.10130	17.2
147.08023	4.2
147.11652	22.4
149.09599	7.9
149.13217	5.3
151.11151	2.1
153.12741	3.7
155.08467	2.3
157.10107	17.6
159.08026	2.2
159.11623	7.9
161.13275	5.7
163.11166	6.7
163.14836	2.1
165.12773	6.0
169.10219	3.1
171.11682	3.5
173.09634	2.8
173.13301	4.7
175.11174	14.3
181.10101	3.0
181.12260	5.4
184.07301	12.6
185.07683	2.5
185.09647	1.8
187.14803	2.1
189.11224	2.3
189.12756	2.0
191.10672	4.1
193.12216	47.9
195.13660	2.2
197.13278	3.3
199.14914	2.1
201.16521	2.2
209.11658	2.2
211.11237	3.6
211.13269	69.3
212.13684	1.8
227.12669	10.5
229.14316	5.5
243.21104	3.7
259.20636	2.6
261.22034	12.7
267.15863	14.1
283.15396	5.0
285.16864	22.3
298.17026	1.6
317.24667	2.6
335.25757	63.1
336.25858	2.8
337.16776	2.3
337.27441	4.4
351.23099	3.6
355.17523	4.8
363.25165	2.4
369.24243	5.8
387.25247	4.6
405.26334	2.5
429.21362	13.7
443.28076	2.0
453.33557	2.7
461.28488	2.9
479.30197	2.2
527.37250	13.3
543.36407	2.0
545.30157	3.6
545.38300	69.9
546.38739	4.9
653.40204	4.8
671.41022	6.8
689.42499	26.5
707.43860	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	707.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75722	1.0
52.87316	1.0
53.03939	7.2
55.01867	6.9
55.05503	28.0
57.03431	14.5
57.07070	7.0
58.07396	1.7
59.04993	1.6
60.46853	1.1
61.02911	1.2
65.03921	3.8
67.05495	65.0
69.03420	20.5
69.07059	18.9
69.59892	1.0
71.04991	9.6
71.07351	1.4
71.79515	1.7
73.02921	1.9
79.05483	51.3
80.05836	1.2
80.07313	0.9
81.03407	100.0
81.07046	76.9
82.07334	1.2
83.04971	32.4
83.08607	29.0
85.02890	21.2
85.03397	1.2
85.06530	3.0
86.09695	6.5
87.04456	36.5
87.10033	1.1
88.04791	3.2
89.06021	1.7
91.05468	44.8
93.07032	50.7
95.04961	28.4
95.08592	44.2
97.02884	18.3
97.06526	8.7
97.10164	7.5
98.98478	1.2
99.04451	6.5
99.08067	1.8
101.02353	1.4
105.07017	38.8
107.04959	8.7
107.08579	27.3
107.09264	2.1
109.02867	10.8
109.06493	9.4
109.10141	22.5
109.81307	1.1
110.99868	1.1
111.04425	15.0
111.08075	11.6
113.06015	2.0
113.09712	1.2
115.05462	3.6
117.06993	14.2
119.04907	2.6
119.08567	33.3
121.06483	7.7
121.10126	25.2
123.04458	2.6
123.08035	5.1
123.11687	8.5
124.99996	4.4
125.05995	1.1
125.09634	5.4
126.58300	1.2
127.03915	6.9
127.07483	1.4
128.06203	2.3
129.05495	8.6
129.06970	13.5
130.05692	1.1
131.08554	22.7
131.09486	1.8
133.06485	5.0
133.10121	18.6
135.08026	3.8
135.11671	16.3
137.09592	4.4
137.13280	1.6
139.11131	1.2
141.06975	3.5
142.07782	4.0
143.08528	7.9
145.06442	2.4
145.10110	18.2
147.08018	5.7
147.11661	24.9
149.09624	8.4
149.13223	7.2
151.07602	1.3
151.11111	2.6
153.09081	1.3
153.12701	5.2
155.08528	3.6
157.10095	20.0
157.41402	1.1
159.08012	2.6
159.11687	8.2
161.09621	3.2
161.13210	6.2
163.07544	1.2
163.11180	8.8
163.14816	3.7
165.07042	1.8
165.12718	4.8
167.08527	3.1
169.10091	4.4
171.08000	1.9
171.11671	6.3
173.09587	3.5
173.13220	8.0
175.11163	15.3
175.14778	2.7
177.12727	2.5
181.10110	2.3
181.12239	4.8
183.08138	1.3
183.11687	4.1
184.07315	20.1
184.08896	1.7
185.07719	2.2
185.13254	4.2
187.11295	2.0
187.14793	2.5
189.12730	2.3
191.10663	7.7
193.12215	41.4
194.12555	1.7
195.11714	2.1
195.13701	1.1
197.13284	2.5
199.11143	1.6
199.14876	2.3
201.12714	1.9
209.11658	2.3
209.13416	1.7
211.13255	61.8
213.16594	1.6
215.14352	1.3
221.13173	1.6
227.12730	13.2
229.14325	4.8
233.15529	1.5
241.19676	1.1
243.21112	3.7
249.14815	2.6
259.20660	2.2
261.22055	7.9
267.15875	19.5
269.17398	1.9
273.14816	1.2
273.22153	1.9
275.23935	1.2
277.21616	2.4
279.23276	1.4
283.15277	5.9
285.16937	27.2
289.21750	1.6
301.21661	2.2
303.23318	1.9
315.23114	1.6
317.24942	2.6
319.22556	1.6
323.23508	1.3
327.23105	2.1
335.25787	28.5
336.26257	1.3
337.16306	2.1
337.27216	4.3
339.23190	1.7
341.24860	2.1
345.24158	1.5
351.23077	3.9
353.15970	2.2
355.17542	3.4
369.24118	9.6
375.25366	1.3
387.25299	5.5
405.26385	2.8
410.83377	1.3
427.19485	2.3
429.21194	13.4
435.32346	2.9
443.27780	2.3
453.33533	2.6
461.28934	5.5
479.30032	4.3
527.37073	14.5
535.36774	1.3
543.36035	2.2
545.38300	52.4
545.46692	2.6
546.38739	4.0
557.37994	1.4
563.39270	2.1
569.37982	2.3
611.38861	1.3
635.39569	2.2
641.40289	1.6
653.40240	11.4
671.41333	9.5
689.42395	29.5
690.43060	2.8
707.44800	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01867	7.6
55.05504	35.7
57.03432	19.7
57.07063	4.2
60.23761	1.3
61.02937	1.5
65.03925	4.3
67.05497	83.2
68.05824	1.8
69.03421	21.7
69.07058	22.9
71.01338	2.0
71.04989	9.3
71.36519	3.2
73.02930	1.6
77.03903	1.3
79.05019	2.9
79.05484	62.3
81.03407	100.0
81.07045	85.4
82.03732	1.8
83.04973	39.8
83.08611	30.7
85.02890	22.4
85.06528	4.2
88.92261	1.4
91.05470	47.1
93.07032	61.0
95.04955	30.2
95.08591	50.8
97.02882	20.3
97.06518	8.5
97.10161	8.2
99.04443	4.9
99.08082	3.3
105.07014	39.3
107.04920	9.9
107.07911	2.5
107.08585	32.9
109.02869	10.8
109.06490	6.2
109.10139	23.5
111.04432	16.9
111.08076	13.7
115.03939	1.6
115.05453	1.5
117.07017	12.8
119.08563	35.1
121.06479	4.0
121.10127	29.5
123.04429	2.7
123.08076	3.5
123.11680	6.3
125.09614	3.8
127.03915	11.0
128.06197	2.9
129.05482	10.3
129.06967	12.7
131.04884	1.4
131.08542	25.3
133.06480	4.1
133.10110	22.3
135.11684	17.0
137.09648	3.2
137.13249	3.3
139.11168	1.8
141.06935	2.6
142.07721	3.2
143.08542	5.6
145.06526	2.2
145.10115	13.7
147.08034	4.3
147.11665	23.8
149.09650	6.7
149.13251	6.2
151.11134	2.0
153.09048	1.6
153.12738	4.1
155.08507	4.2
157.10107	16.0
159.11725	9.1
161.13248	5.0
163.11156	8.2
163.14769	4.0
165.12717	6.6
169.10124	3.3
171.11696	3.4
173.04420	1.8
173.09616	2.4
173.13232	6.6
175.11150	15.7
175.14781	3.6
181.10080	1.8
181.12222	4.3
183.11649	2.2
184.07272	2.5
185.13266	3.4
187.11165	1.8
187.14807	2.0
189.12750	2.4
191.10602	4.2
193.12213	44.6
195.11600	1.9
195.13742	1.9
197.13193	1.7
201.16264	1.7
205.12144	1.7
209.11629	1.6
211.11223	3.3
211.13261	67.4
227.12677	9.2
229.14340	5.2
235.13223	1.7
243.21027	2.4
249.14732	3.1
259.20435	2.9
261.22122	12.4
267.15936	16.6
275.20035	1.8
277.21521	2.5
283.15338	4.3
285.16974	21.7
289.21545	1.7
303.23062	2.3
317.24710	3.3
323.23285	1.5
335.25790	74.1
336.26123	1.9
337.16635	2.5
337.27271	7.7
341.24542	1.5
351.23032	2.6
355.17526	4.0
369.24127	6.3
371.25165	2.0
387.25351	3.1
405.26169	2.0
411.20200	2.7
429.21225	17.0
435.32266	2.7
443.27975	1.7
453.33047	2.0
461.28317	2.1
479.30023	3.0
527.37305	11.9
530.39124	1.8
545.38336	78.4
546.38641	2.5
563.39130	2.8
635.39429	1.5
639.05176	1.5
642.76019	1.5
653.40265	6.0
671.40961	5.8
689.42499	32.7
707.43073	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77876	1.4
53.03935	7.8
55.01875	6.5
55.05500	29.4
57.03434	16.8
57.07065	1.6
65.03929	5.2
67.05494	68.9
69.03416	21.2
69.06696	2.2
69.07055	22.4
69.67096	13.4
71.04987	6.4
73.02879	2.3
79.05098	1.0
79.05478	46.8
81.03408	100.0
81.07044	71.5
82.07336	1.3
83.04967	34.3
83.08606	23.6
85.02901	17.8
85.06533	5.2
85.78494	1.2
91.05464	47.9
93.06440	2.7
93.07033	50.7
95.04958	31.6
95.08591	48.2
96.08882	1.9
97.02884	20.0
97.06516	9.3
97.10159	8.3
99.04456	5.7
99.08059	3.6
103.20995	1.5
105.07015	38.0
107.04932	10.3
107.08577	29.5
109.02864	9.9
109.06485	6.8
109.10136	21.4
110.34974	1.3
110.45724	1.3
111.04436	17.7
111.08058	12.4
113.06011	1.5
115.04020	1.5
115.05449	2.0
117.07005	12.6
119.04966	1.7
119.08570	33.3
121.06503	3.9
121.10120	25.3
123.04427	3.8
123.08057	5.9
123.11693	8.2
125.05998	2.4
125.09602	4.4
127.03906	8.1
127.07508	1.4
129.05495	9.2
129.06979	13.9
131.08551	28.2
133.06491	6.6
133.10120	22.1
135.08066	4.2
135.11694	15.8
137.09605	4.4
137.13240	1.7
139.11168	2.3
141.06955	2.3
142.07829	2.7
143.08533	7.4
145.06458	2.9
145.10106	15.6
145.73441	1.6
147.08017	3.7
147.11671	26.3
149.09615	6.9
149.13251	6.0
151.07452	2.0
151.11172	2.7
153.12733	4.3
155.08572	4.9
157.06494	2.1
157.10103	15.0
159.08005	2.4
159.11656	9.6
161.09566	2.6
161.13281	6.5
163.11133	8.7
163.14725	2.4
165.12740	6.1
167.08537	2.2
168.09270	1.8
169.10152	4.3
171.08095	2.5
171.11697	6.7
173.04330	1.3
173.09535	1.9
173.13254	7.3
175.11143	13.8
175.14784	2.7
177.12749	1.6
179.14323	2.1
181.10127	2.3
181.12254	5.6
183.11652	3.9
184.07347	3.0
185.13191	4.7
187.14847	3.2
191.10728	4.9
193.12221	40.0
195.13722	2.0
197.13135	3.7
201.12694	2.0
208.44066	1.4
211.13263	58.7
213.12761	2.0
215.14444	1.9
223.14825	1.5
227.12733	11.9
229.14331	4.8
243.21184	3.1
249.14893	2.7
261.22095	8.3
267.15909	17.3
277.21564	4.0
283.15430	4.7
285.16986	20.7
301.21542	3.1
303.23318	1.9
309.17004	2.0
317.24741	2.8
319.22522	1.8
335.25735	38.7
337.16293	2.4
337.27322	5.6
348.15762	1.3
351.23181	5.1
353.15964	1.9
355.17361	2.4
369.24326	8.3
387.25119	4.9
405.26099	3.0
411.19846	2.7
427.19168	1.7
429.21097	19.1
435.32574	2.3
443.27588	4.0
449.18445	1.5
453.33835	2.1
461.28961	5.6
479.29767	2.0
527.37146	15.9
543.37079	2.7
545.38312	61.1
546.38751	3.4
547.40894	1.5
563.39429	2.4
569.37646	2.4
611.39233	1.8
629.40387	1.9
635.39178	3.1
641.40619	1.8
653.40784	10.9
659.40546	2.2
671.41345	8.3
689.42499	29.0
690.42462	2.6
707.43304	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	707.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01848	0.9
55.05488	1.1
65.03906	1.3
67.05484	2.2
69.03414	1.2
71.79392	0.7
73.84975	0.6
83.04574	0.7
83.04977	6.6
85.02895	1.6
89.03897	1.1
93.03383	1.5
95.04955	4.6
101.81231	0.6
107.04951	0.6
111.04424	5.4
115.05457	0.6
117.03348	0.9
121.02831	1.0
123.04438	1.3
127.03882	0.9
129.05467	1.6
133.02824	1.6
135.04379	2.9
137.02319	12.6
139.03886	2.3
145.02815	2.3
147.04405	1.0
157.04950	1.1
161.02312	0.7
161.05984	1.5
163.02493	0.8
163.03880	15.9
165.06937	3.9
173.02351	2.4
175.03856	1.1
177.05525	0.7
177.06958	0.8
181.06438	1.1
187.03889	4.4
193.06487	2.8
197.06010	1.2
203.03334	2.7
205.04794	0.9
205.06526	3.8
211.07500	2.6
221.05930	26.3
222.06337	0.8
223.07550	6.5
225.05476	1.6
231.02931	1.8
233.06046	3.9
239.07048	7.1
249.05452	37.7
250.06058	1.5
251.07011	8.5
255.06560	1.5
266.05582	1.0
267.06476	7.9
269.08109	3.5
277.04929	24.9
278.05600	2.3
279.06512	5.7
281.04520	1.1
285.07419	1.6
295.05972	100.0
296.00867	0.6
296.06284	2.6
297.07507	6.3
299.05515	1.8
305.04367	3.8
313.06915	4.9
323.05453	74.0
324.05841	2.0
341.06503	20.9
381.66150	0.7
402.29462	0.7
405.08411	0.6
451.09848	0.7
469.10910	1.7
497.10721	25.7
498.10712	0.9
515.11804	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.1
56.05026	0.6
57.07058	0.2
58.06300	0.1
58.06612	0.4
59.07377	0.1
60.08152	6.2
67.05477	0.2
69.07040	0.1
69.64860	0.5
70.06570	0.1
71.07360	3.0
71.07758	0.2
71.08649	0.1
75.83807	0.1
79.05457	0.2
81.03419	0.1
81.07017	0.1
83.04961	0.1
83.08602	0.1
86.09690	30.5
87.04466	0.2
87.10011	0.4
91.05469	0.1
93.07011	0.1
95.04921	0.1
95.08584	0.2
98.98445	2.8
104.10723	2.4
105.07046	0.1
109.10126	0.1
111.08076	0.1
114.88529	0.1
118.72034	0.1
121.10118	0.1
124.99979	20.4
126.00318	0.1
133.10190	0.1
143.01056	0.3
165.05501	0.1
166.02676	0.2
184.07309	100.0
185.07657	1.7
185.09248	0.1
319.90689	0.1
450.22162	0.1
496.33789	0.1
628.98694	0.1
688.44409	0.1
706.46411	7.8
707.46741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05499	0.4
65.03906	0.6
67.05465	0.8
68.99778	0.3
69.03391	0.7
70.50422	0.3
70.57244	0.2
71.80117	0.4
71.80513	0.3
77.03931	0.2
77.14331	0.2
81.03328	0.3
83.04980	2.3
85.02869	0.9
93.03350	0.4
95.04933	0.3
109.02871	0.3
111.04423	2.4
117.03382	0.2
119.28913	0.2
121.02834	0.3
123.04377	1.1
128.42653	0.2
129.05408	0.6
133.02805	1.0
134.03752	0.2
135.04378	0.9
137.02321	4.1
139.03880	1.4
145.02808	0.5
146.27332	0.2
147.04375	0.9
151.03845	0.4
153.06969	0.3
157.02931	0.3
157.04895	0.3
160.05211	0.4
161.02290	0.9
162.03024	0.6
163.03899	8.1
165.07005	2.9
169.06450	0.5
173.02356	1.4
175.05940	0.2
177.06950	0.6
179.03380	0.3
181.06410	0.5
183.07954	0.4
187.03876	2.7
191.03430	0.3
193.06442	3.5
195.08015	0.3
197.05936	0.8
203.03410	1.2
203.04997	0.3
205.06392	2.0
211.07510	2.0
215.57361	0.2
221.05939	19.8
222.06541	0.5
223.07512	2.7
225.05391	1.1
231.02684	1.3
233.05943	2.2
239.07001	5.5
249.05447	29.2
250.06076	1.5
251.07007	3.9
253.05008	1.4
255.06586	1.0
259.03973	1.0
261.05240	0.6
266.05688	0.6
267.06497	6.8
269.08032	1.4
271.05927	0.5
277.04922	19.9
278.05624	1.7
279.06479	4.8
281.04358	1.1
285.07471	0.9
291.21890	0.3
294.05072	0.4
295.05978	76.0
296.06253	2.0
297.07492	1.9
299.05591	0.6
305.04404	4.4
313.06912	3.4
323.05463	100.0
324.06003	1.9
341.06528	13.6
342.06927	0.3
380.70044	0.3
469.11783	1.4
469.19577	0.2
487.12323	0.5
497.10687	2.4
515.11743	4.8
611.81140	0.3
654.16534	0.3
710.07227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86644	0.9
53.00283	1.4
53.03199	1.0
53.03927	3.4
55.01863	3.9
55.05503	18.4
57.03427	15.0
57.07062	1.1
59.04991	1.7
60.35015	1.0
61.02917	4.6
65.03941	2.0
67.05496	26.4
69.03413	5.7
69.07052	6.6
69.50507	6.5
69.50932	3.2
70.06587	0.8
71.04977	4.7
73.02888	2.6
76.55225	0.8
79.05479	26.0
81.03406	59.4
81.07042	32.9
83.01318	0.9
83.04971	15.3
83.08610	25.7
85.02893	18.3
85.06514	2.9
86.09698	1.6
87.04427	1.6
91.03944	1.4
91.05463	33.6
93.07033	25.1
95.04953	29.5
95.08588	11.1
97.02873	8.3
97.06513	5.6
97.10147	5.0
99.00809	9.4
99.04449	2.0
99.08098	1.2
103.05434	1.6
105.07014	27.0
107.04935	11.1
107.08569	12.8
107.09242	1.3
109.02843	6.1
109.06533	5.8
109.10135	7.1
110.10546	0.8
111.04404	5.2
111.08063	9.2
113.06032	2.0
115.03899	2.6
115.05421	1.8
116.63287	1.0
117.07024	5.9
119.04978	1.2
119.08569	21.0
121.06478	6.8
121.10132	11.1
123.04405	2.1
123.08042	4.1
123.11695	3.0
125.00015	0.9
125.05923	1.1
125.09586	2.8
127.03880	3.1
129.06967	10.2
131.08548	13.2
133.06461	3.7
133.10109	32.7
135.08064	2.4
135.11685	6.6
137.05949	1.5
137.09605	3.0
139.03925	0.9
139.07536	1.9
142.07787	1.4
143.08519	3.0
145.06419	1.7
145.10132	6.4
147.08015	3.9
147.11668	12.5
149.09592	7.2
151.11151	9.4
153.12733	1.0
155.08485	2.0
157.10100	12.7
161.09584	12.9
163.11159	7.7
165.12692	2.8
167.10643	0.9
171.08052	3.1
173.09564	1.8
173.11812	0.9
175.11168	13.5
179.10648	6.4
181.12163	2.1
184.07375	2.8
189.09090	4.8
189.11124	0.8
191.10585	2.1
193.12212	37.5
193.13992	1.8
193.31244	1.0
197.11682	1.4
207.10132	2.1
209.11732	2.5
211.13277	47.6
225.11148	6.2
227.12723	6.8
228.13168	1.0
229.14296	1.3
243.12155	1.6
265.14310	4.1
267.15887	38.8
279.44394	0.9
281.13794	3.7
283.15298	12.5
285.16922	52.7
286.17383	1.3
299.14868	51.1
301.16547	5.6
367.22681	2.1
385.23676	2.8
433.25330	1.2
445.25522	1.3
459.27353	20.4
473.25378	3.2
477.28433	17.9
491.26312	22.0
492.26770	1.1
495.29510	5.3
509.27411	100.0
510.27466	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	706.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.6
53.03920	2.1
55.01868	10.5
55.05506	18.6
57.03431	13.8
57.07040	1.4
59.04985	1.2
60.08138	0.5
61.02918	3.1
61.98768	0.5
65.03903	1.6
67.05498	29.3
69.03416	5.1
69.07053	9.3
70.04178	0.5
70.06574	0.5
71.01321	0.8
71.04992	4.1
73.02905	5.0
77.03857	0.6
79.05486	33.8
80.05813	0.5
80.06250	0.7
81.02956	1.2
81.03410	20.7
81.07049	26.6
82.04205	3.0
83.01331	1.3
83.04515	0.8
83.04974	11.0
83.08615	13.0
84.02098	0.7
85.02902	4.5
85.06521	1.9
86.09703	0.5
91.03934	1.4
91.05470	19.4
93.07037	38.9
94.07802	0.6
95.04960	18.8
95.08596	30.9
96.05752	0.9
97.02877	6.3
97.06515	6.0
97.10162	8.6
98.07310	4.3
99.04417	4.1
99.08077	1.3
101.05997	0.8
103.03886	0.8
105.04520	0.8
105.06333	0.9
105.07023	14.5
107.04260	0.6
107.04952	11.0
107.08583	28.9
107.63605	0.5
109.02853	0.8
109.06514	5.6
109.10144	6.6
111.04430	3.6
111.08088	4.5
113.05987	1.3
115.03918	0.8
115.05371	0.8
116.03891	0.8
116.04695	10.2
117.07019	9.3
119.08571	15.7
121.06501	6.9
121.10131	14.0
123.04393	1.0
123.08047	4.8
125.05951	2.2
125.09620	10.0
127.03932	0.6
127.07534	0.6
127.11091	0.6
128.06194	0.8
129.05469	22.0
129.06958	5.4
130.07750	1.4
131.08562	5.8
132.09378	0.5
133.06432	0.9
133.10126	6.5
135.08066	3.6
135.11678	40.2
137.09558	1.4
139.07504	2.1
139.11066	0.6
143.07013	5.4
143.08537	1.6
143.10649	0.8
145.06432	0.7
145.10112	25.6
147.08026	1.7
147.11678	7.5
147.79163	0.5
149.05807	0.6
149.09587	1.8
151.07512	0.5
151.11192	0.7
153.09087	1.2
153.12721	1.4
155.08559	0.7
157.08572	10.0
157.10075	3.2
158.05713	2.4
161.09639	1.2
161.13268	1.0
163.11169	59.7
164.11617	1.1
165.09038	0.6
165.12740	1.2
171.06496	1.3
171.10130	4.0
171.11661	1.7
173.09612	1.6
173.11658	0.8
175.11139	3.3
180.11455	0.6
181.12221	11.4
184.07361	2.5
185.08063	0.8
185.11688	1.3
189.11212	6.8
189.12779	1.1
191.10612	2.0
192.11346	0.9
193.12244	4.4
199.09682	0.8
199.13269	5.6
200.14070	2.2
207.13791	1.7
209.11658	6.1
210.12434	1.1
211.13295	1.4
213.14552	0.6
225.14920	0.5
226.12006	0.9
227.12758	75.5
228.13176	1.5
229.14304	1.6
255.15918	1.2
265.14371	1.1
266.15161	0.9
267.15897	15.0
281.17450	9.4
282.14642	0.6
283.15384	72.5
284.15854	1.9
285.16769	0.7
301.16431	70.9
302.16821	2.0
324.15677	0.9
337.16446	2.5
365.19565	0.7
408.24875	0.8
425.25369	1.4
437.25198	5.1
459.27087	2.1
473.28995	22.3
474.25684	0.6
475.26913	8.7
477.28058	3.3
491.26141	7.9
492.27188	11.0
493.27991	0.8
495.29178	0.6
509.27435	100.0
510.27905	5.6
702.33447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01863	17.2
55.05505	27.3
57.03162	1.1
57.03429	22.9
57.07070	2.4
59.04983	3.4
60.08160	2.0
61.02921	8.0
62.06057	0.9
67.05495	35.3
67.85617	1.0
69.03416	5.8
69.07066	6.9
69.46149	11.8
71.01344	1.7
71.04971	4.5
73.02909	5.9
79.05018	2.1
79.05480	36.0
81.03408	29.1
81.07045	31.8
82.04182	3.2
82.38737	1.0
83.01336	8.9
83.04970	19.3
83.08610	19.6
84.02124	1.5
85.02901	12.0
85.06519	2.3
86.09699	11.4
87.04472	1.2
91.03940	3.9
91.05465	25.1
92.64877	1.2
93.07032	36.3
95.04388	1.9
95.04955	22.0
95.08598	11.8
96.05759	1.1
97.02885	8.4
97.06503	9.0
97.10157	13.1
98.07310	5.9
98.20670	2.0
99.04436	2.8
101.06007	1.1
105.07018	20.6
106.86932	1.1
107.04942	12.6
107.07896	1.8
107.08582	21.8
107.09306	0.9
108.72845	1.0
109.02879	1.0
109.06502	9.6
109.10155	8.6
111.04417	4.3
111.08067	6.2
116.04703	11.9
117.07008	8.8
119.08570	15.6
121.06515	5.3
121.10124	12.6
123.08055	13.2
123.11726	1.3
125.00003	6.3
125.05987	2.7
125.09619	16.2
129.05464	27.4
129.06924	6.4
130.07764	1.7
131.04947	1.2
131.08542	9.1
133.06448	1.9
133.10115	9.1
135.08081	4.6
135.11668	16.5
136.08839	1.2
137.09579	3.0
143.07039	6.4
143.08537	2.7
143.10680	1.7
145.06422	1.5
145.10097	20.0
147.08061	4.1
147.11661	9.8
147.83437	0.9
149.09657	4.8
151.11150	1.4
153.09088	2.0
153.12729	4.0
155.08519	2.8
157.08595	12.2
157.10078	4.7
158.05702	1.2
161.09663	1.4
163.11151	30.0
165.12729	2.0
167.07143	1.0
171.06516	1.7
171.10138	4.1
171.11542	1.5
173.09573	6.3
173.11754	2.4
175.11177	4.1
181.12215	6.0
184.07309	32.2
189.11224	7.6
190.09851	1.5
191.10687	5.1
192.11407	1.0
193.12198	6.4
199.09531	1.3
199.13214	7.0
200.14005	3.4
201.14786	2.4
207.13759	1.1
209.11670	11.8
210.12425	1.7
211.13269	4.0
213.57448	1.1
225.11108	0.9
227.12769	20.3
229.14355	2.1
248.82036	1.0
255.15981	1.4
265.14374	2.2
267.15878	14.5
273.18198	1.0
281.17493	2.3
283.15369	96.0
284.15814	4.4
285.16907	3.3
301.16415	77.1
302.16885	1.9
337.16440	3.5
383.22009	2.3
407.24023	1.4
425.25131	2.4
431.27686	1.5
436.24582	1.4
437.25244	8.4
457.25473	2.5
459.27487	6.4
473.29092	9.5
474.25974	2.6
475.26874	11.8
477.28470	6.3
491.26437	3.8
492.27136	8.4
493.27469	1.7
508.94653	1.1
509.27408	100.0
510.27472	5.9
513.74884	1.1
527.27991	1.3
656.35632	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01865	9.3
55.05503	17.6
57.03431	7.1
57.07059	5.8
60.08154	1.4
61.02909	6.1
65.03920	2.4
67.05494	40.1
69.03413	14.3
69.07054	14.3
69.67423	2.8
69.67828	9.3
71.04972	5.8
71.08604	1.4
73.02907	4.7
73.06526	1.4
79.05022	1.7
79.05484	30.5
81.02938	1.6
81.03410	22.4
81.07045	44.7
83.04974	10.3
83.08607	11.0
85.02884	8.7
85.06516	3.5
86.09695	6.4
87.04456	28.6
89.06055	1.5
91.03944	4.5
91.05470	34.8
93.07027	32.0
93.07584	2.4
95.01289	1.8
95.04953	11.0
95.08585	21.8
95.40693	1.4
97.02875	9.3
97.06505	15.2
97.10156	7.9
98.20703	2.0
99.04440	3.6
99.08105	2.5
101.02354	1.6
103.05436	1.6
105.07019	34.8
105.07712	2.2
106.07331	1.3
107.04963	8.7
107.08582	21.2
109.02870	4.4
109.06505	2.9
109.10130	10.1
111.04428	3.4
111.08080	3.1
115.05433	1.7
117.07007	13.0
119.08572	19.8
121.06468	6.3
121.10123	13.1
123.04401	1.8
123.08045	3.3
123.11675	2.7
124.99984	4.4
125.09628	7.2
127.03906	4.4
128.06248	1.2
129.05458	2.1
129.06985	6.5
130.07805	1.7
131.04881	2.3
131.08551	14.6
133.06493	1.8
133.10109	19.6
135.08009	3.9
135.11671	9.1
137.09579	2.8
141.06924	2.0
143.08534	5.9
145.06419	3.2
145.10086	12.4
147.08031	3.8
147.11671	10.6
149.09595	4.3
149.13261	4.2
151.11263	1.7
153.12819	1.3
155.08562	3.5
157.10120	6.1
159.08098	2.6
159.11676	10.9
161.09660	2.8
161.13225	3.8
163.11186	3.7
165.12733	1.9
169.10107	4.3
171.10364	1.4
171.11682	5.2
173.04445	1.7
173.09557	2.0
173.13251	4.0
175.11229	1.7
177.12741	3.5
179.14310	3.8
181.10101	2.1
183.11720	3.8
184.07303	22.8
185.13277	2.4
187.11185	2.7
189.11205	2.3
195.11737	2.4
195.13797	3.4
197.13280	2.8
199.11150	1.4
199.14655	2.3
201.12721	1.5
211.14949	2.1
227.12746	5.5
241.19437	1.5
251.16524	2.6
257.19016	3.0
265.14694	1.5
267.15848	2.7
269.17535	4.2
275.20032	26.7
277.21710	2.1
283.15262	1.6
287.20178	1.5
293.21390	1.4
299.23761	2.5
339.17978	1.9
349.23709	13.2
395.20496	1.9
403.24554	2.0
413.21606	13.8
421.25931	5.4
427.19391	1.8
433.31042	2.0
451.32065	4.0
487.33755	1.5
504.11478	1.6
525.35840	10.1
543.36731	100.0
544.37085	4.3
564.39404	1.9
651.38800	1.9
669.39423	1.8
687.40973	20.6
688.42023	1.6
705.42542	12.9
706.46057	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	705.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01865	2.7
55.05503	13.6
57.03432	5.9
57.07063	1.6
59.04970	0.8
61.02923	10.7
65.03935	1.1
67.05497	26.5
69.03418	8.4
69.07059	8.2
70.06553	0.5
71.01336	1.1
71.04984	3.3
71.05377	1.5
71.08630	0.5
73.02910	5.1
73.71228	0.6
79.05479	18.6
81.03406	20.6
81.03883	1.0
81.07044	22.2
83.04965	6.7
83.08610	9.7
84.08938	0.6
84.74635	0.5
85.02895	10.5
85.06528	1.7
86.40845	0.5
91.03965	3.9
91.04482	0.6
91.05467	17.0
93.07030	17.0
95.04957	8.7
95.08593	12.3
97.02879	9.5
97.06515	3.4
97.10152	6.9
99.04460	1.1
99.08097	0.8
101.02373	1.3
103.05452	1.0
103.18334	0.5
105.03333	0.8
105.07015	16.8
107.04946	3.5
107.08582	10.8
109.02861	2.8
109.06523	3.9
109.10139	9.8
111.04431	2.8
111.08082	3.7
115.05422	1.2
117.06991	9.7
119.08567	14.1
121.06516	2.5
121.10123	7.8
123.08073	2.3
123.11708	2.6
125.09612	5.8
127.03911	3.0
128.06226	1.9
129.05460	1.5
129.06992	10.3
130.07741	0.5
131.08546	14.0
133.06482	1.5
133.10107	9.6
135.08037	2.9
135.11682	5.0
137.09584	1.6
141.06940	2.9
142.07765	2.1
143.08533	9.1
145.06494	2.7
145.10100	11.6
146.10527	0.6
147.08018	2.9
147.11664	8.6
149.09583	2.6
149.13298	1.9
151.11110	1.1
152.06206	0.7
154.07809	0.9
155.08521	5.2
157.10110	8.3
159.08041	2.3
159.11664	8.1
161.09666	1.3
161.13208	3.8
163.11119	2.9
165.06964	0.9
165.12779	0.9
166.07867	0.7
167.08562	2.5
168.09331	0.6
169.10110	7.0
170.10860	0.7
171.08044	1.5
171.11650	7.8
173.04474	2.4
173.09616	1.8
173.11783	1.3
173.13289	5.3
175.11125	3.5
175.14839	1.1
177.12785	1.3
179.08609	1.1
181.10078	4.0
181.12247	1.1
183.08066	0.8
183.11649	4.7
184.07329	1.0
185.09619	1.8
185.13235	5.5
187.11180	2.0
187.14767	2.7
189.11249	2.7
189.12671	0.6
191.10625	0.8
193.10283	1.3
193.12242	6.4
195.11696	3.3
197.09598	1.0
197.13162	4.1
199.11264	1.1
199.14786	3.5
201.12782	1.7
201.16403	0.7
203.14372	0.8
207.11707	1.5
209.13223	2.6
211.11266	1.0
211.13289	7.1
211.14903	1.8
213.12811	1.8
213.16402	1.9
215.14359	1.5
219.11629	0.9
221.13313	1.8
223.14833	1.6
225.12679	0.9
225.16394	1.0
227.12730	3.6
229.14348	1.7
233.15359	0.7
235.14932	1.4
237.12715	1.0
237.16425	1.2
239.18083	0.8
241.15831	0.9
241.19603	2.0
243.15883	1.3
243.21147	0.6
249.12558	0.7
251.17888	0.9
257.19101	1.0
259.20547	5.0
265.19931	0.7
267.15796	3.0
271.20703	0.7
273.22031	0.5
275.20038	1.2
283.15582	0.8
283.20557	2.0
285.16812	3.2
287.16202	0.5
287.20105	0.7
295.20596	0.7
297.18961	0.6
297.22144	2.0
299.20554	1.1
299.23550	3.7
301.21783	1.3
307.20575	0.9
311.19946	0.6
313.21799	1.0
315.23022	1.3
321.22003	0.6
325.21710	1.2
333.24393	4.3
337.21500	0.7
337.25287	0.7
339.23090	1.6
341.24823	0.7
343.22601	0.9
351.23181	1.0
353.24811	1.1
355.17676	0.7
355.22598	0.8
357.24191	1.8
365.64401	0.6
367.22733	1.7
369.24268	0.6
371.25766	0.7
385.23660	1.1
403.24939	1.5
415.29837	1.3
417.26300	1.4
421.25836	2.7
423.32599	1.6
429.21274	1.9
433.31027	4.4
435.27274	3.9
451.32010	7.8
452.32809	0.7
469.33206	3.4
489.33646	0.7
507.34592	1.8
515.37158	1.1
525.35669	20.7
526.36237	1.1
541.34875	2.1
543.36761	100.0
544.37225	5.2
555.37299	1.3
559.35858	0.7
561.38513	0.9
577.35101	0.8
585.37982	2.1
609.37933	1.0
627.38934	1.0
633.37488	1.1
651.38831	4.0
669.39783	4.2
687.40826	6.9
705.31860	5.1
705.41974	15.0
706.32269	1.0
706.43176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
52.91336	0.3
53.00287	0.3
53.03925	1.0
53.61937	0.3
55.01859	2.5
55.05499	0.4
59.69690	0.3
65.03932	2.2
67.05489	2.0
68.47714	0.3
68.99775	1.1
69.03402	1.3
69.84984	2.2
70.06570	0.3
71.04936	0.4
71.63106	0.3
74.57522	0.3
77.03904	0.9
79.05482	5.0
81.03412	1.5
81.07027	1.0
82.04156	0.3
83.01319	0.3
83.04928	0.5
83.08587	0.5
85.02890	2.2
91.05466	2.1
93.03341	0.8
93.06998	0.4
93.08722	0.3
95.04958	5.1
95.08566	0.4
97.02861	1.2
97.06499	0.9
103.05429	0.4
105.03368	1.5
105.04452	0.5
105.07028	1.9
107.04939	13.1
109.02848	1.6
109.06503	0.5
109.10123	0.5
110.03627	0.9
111.04429	2.1
111.08062	0.3
115.05436	1.1
117.06969	0.8
119.04943	5.1
121.02853	0.6
121.06496	0.4
121.10115	0.3
123.04411	36.1
124.05221	2.1
125.05982	2.7
125.09547	0.3
127.03893	1.8
131.04898	0.8
133.02776	0.4
133.06488	2.7
133.10124	0.4
135.04398	4.0
137.02339	0.9
137.05951	1.3
138.03043	0.6
139.03882	14.8
139.04967	0.7
141.05432	0.4
141.06956	0.4
142.02625	0.9
143.04884	1.1
145.06451	2.6
145.10109	0.4
147.04385	17.9
151.03882	100.0
152.04243	1.9
153.05467	2.8
155.07024	0.9
161.05956	7.2
163.03877	5.5
165.05455	8.6
165.06786	0.4
165.09093	1.0
167.07019	27.3
169.04935	0.6
171.06526	2.4
173.05951	5.1
175.03830	1.3
175.07420	0.6
177.05469	0.8
178.06256	0.4
179.03427	0.9
179.07022	2.1
181.04930	44.4
182.05247	0.8
183.06456	0.9
183.07967	0.5
187.04077	0.5
187.07532	0.8
189.05476	1.7
190.06155	0.4
191.07091	0.5
193.04926	5.1
193.06654	0.6
193.08539	5.5
193.10190	0.5
195.06500	0.5
197.05931	0.7
199.14171	0.3
201.05440	4.8
205.08621	3.0
206.05666	0.7
207.06476	3.5
211.07591	0.6
213.05562	0.3
215.06949	1.6
217.08574	1.8
219.06372	0.5
221.06070	0.5
221.08046	12.5
225.05402	0.4
233.08092	5.6
233.10329	0.6
239.07115	0.8
243.06425	1.1
249.07527	3.8
257.08142	0.7
261.07523	0.8
265.08521	0.4
267.06424	1.1
267.15869	0.4
273.03671	0.3
277.08359	0.3
285.07547	2.9
303.08588	73.6
304.08920	2.2
311.09039	0.4
325.10645	0.4
341.10089	0.4
343.11633	0.4
373.12656	0.4
387.14328	17.8
388.14755	0.5
403.13824	64.0
404.14185	2.5
415.13815	36.5
416.13992	1.6
553.17200	0.5
681.90143	0.4
705.52197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.1
56.05029	0.6
57.07051	0.2
58.06620	0.4
59.07365	0.1
60.08157	6.3
62.51851	0.1
62.88546	0.1
64.38275	0.1
67.05486	0.5
70.06575	0.2
71.07365	3.0
71.08616	0.1
71.26221	0.2
71.26591	0.1
79.05461	0.1
81.03391	0.1
81.07047	0.4
86.09695	30.0
87.10021	0.2
91.05465	0.2
93.07031	0.2
95.08591	0.2
98.98456	2.8
104.10733	2.3
105.07058	0.1
107.08585	0.2
109.10163	0.2
118.49114	0.1
119.08547	0.1
121.10127	0.1
124.99989	20.9
143.01022	0.4
151.22861	0.1
152.05585	0.1
163.01520	0.1
166.02669	0.2
176.43510	0.1
184.07321	100.0
185.07722	0.6
253.14383	0.2
318.68701	0.1
448.21097	0.1
496.33994	0.2
563.43298	0.4
704.44849	7.3
705.44604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03938	4.5
53.07035	0.7
53.76593	0.7
54.04749	0.8
55.01863	11.6
55.05235	1.3
55.05501	20.9
56.17501	0.7
57.03166	0.8
57.03429	12.4
57.07054	2.6
57.99176	0.7
59.04976	2.0
61.02904	2.6
65.03925	2.7
67.05494	49.7
68.05815	0.8
69.03423	5.1
69.07057	11.8
69.78239	5.8
70.04213	0.8
70.41030	0.6
71.01332	1.4
71.04971	3.4
73.02919	3.9
73.06544	1.4
77.03908	1.0
79.05480	71.2
80.05826	0.8
81.03402	23.3
81.07045	41.6
82.03743	1.3
82.04182	3.4
82.07375	1.1
83.04967	16.6
83.08605	11.4
84.02139	0.7
84.05750	0.7
85.02883	5.7
85.06519	2.7
86.09705	1.1
91.05465	53.3
92.05783	1.5
92.97981	0.7
93.07030	63.3
94.04163	0.8
94.07802	1.1
95.04951	24.7
95.08592	22.6
97.02872	6.0
97.06514	7.6
97.10155	10.0
98.07327	4.1
99.04442	2.2
99.08070	1.9
103.05454	0.9
105.04500	2.1
105.07012	39.5
106.07304	1.4
107.04933	11.3
107.08577	22.9
109.02876	1.4
109.06496	8.0
109.10130	8.6
110.10513	1.0
111.04414	2.2
111.08062	3.5
113.06007	1.2
115.05390	1.1
116.04701	6.1
117.07009	10.5
119.08563	25.7
119.09419	1.6
120.08931	0.9
121.06493	4.6
121.10134	8.3
123.04424	1.0
123.08038	7.4
123.11666	1.1
125.09615	9.7
127.03933	1.7
127.07528	1.9
127.11127	1.1
128.06210	2.7
128.54935	0.8
129.05472	15.8
129.06976	15.8
129.07957	0.7
131.08566	7.3
133.06451	1.9
133.10107	14.2
135.08052	3.9
135.11661	5.9
137.05989	0.6
137.09578	2.4
141.09059	1.0
142.07742	0.9
143.07007	3.5
143.08562	8.3
143.10680	1.1
145.06450	1.1
145.10094	13.1
147.08005	3.3
147.11667	36.3
149.09613	2.4
150.61656	0.7
151.11176	0.8
151.84952	0.6
153.09039	1.3
153.12753	1.2
155.08617	1.0
156.09265	0.8
157.04808	0.9
157.08594	6.8
157.10109	3.1
158.05745	1.3
159.11679	2.2
161.09598	3.8
161.13216	10.3
163.11172	8.4
164.11928	0.9
165.12648	1.2
169.10202	1.0
171.06580	1.9
171.10193	3.0
171.11638	24.0
173.04419	2.0
173.09569	1.9
173.11736	1.7
173.13190	0.9
175.11166	2.3
179.14259	0.8
181.12230	2.4
184.07272	4.7
185.08008	0.9
185.11566	0.9
185.13091	0.9
189.11208	3.7
189.12743	9.9
191.10692	2.9
193.12213	3.8
194.12601	1.0
197.07959	0.7
199.13252	5.3
200.13994	1.6
207.13789	25.3
209.11650	3.9
211.13139	3.5
212.13640	1.4
223.13222	0.8
225.14821	1.8
226.97699	0.7
227.12733	9.1
227.14484	0.9
229.14369	1.6
234.94458	0.7
253.14401	1.0
255.15866	1.6
265.14368	2.8
267.15820	5.6
269.17563	1.2
275.20068	1.0
276.20313	1.2
281.17432	66.3
282.17929	1.7
283.15323	9.4
285.17010	1.3
301.16409	29.9
307.18918	1.1
335.18466	2.1
350.24371	1.0
405.26367	2.8
423.27280	1.6
434.26788	1.2
435.27432	12.9
471.27383	2.2
472.28189	2.0
473.28873	7.0
489.28323	9.3
490.29190	4.8
490.72293	0.8
507.29465	100.0
508.29803	3.2
542.35461	2.5
668.38269	1.0
686.39783	1.5
704.40948	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	702.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05023	0.5
57.07063	0.2
58.06610	0.5
58.65912	0.1
60.08156	6.1
67.05482	0.3
69.07033	0.1
69.71649	0.7
71.07363	3.2
71.08606	0.2
74.09732	0.1
79.05474	0.3
81.07035	0.3
84.15092	0.1
85.10129	0.1
86.09695	30.0
87.10014	0.1
89.06013	0.2
89.82743	0.1
91.05453	0.2
93.07020	0.3
95.08599	0.2
98.98447	2.4
104.10728	2.7
105.07027	0.2
107.08609	0.2
109.10148	0.2
110.07819	0.1
117.06966	0.1
121.10145	0.1
124.99985	20.0
133.10141	0.1
139.06868	0.1
143.01041	0.4
146.22501	0.1
147.11650	0.1
166.02649	0.4
184.07317	100.0
185.07677	1.0
203.16115	0.1
257.08096	0.1
269.17346	0.1
283.49667	0.1
294.99231	0.1
311.25922	0.1
485.63208	0.1
496.33917	0.2
505.38840	0.2
569.07959	0.1
702.46887	11.1
703.46930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
53.03934	10.6
55.01869	18.1
55.05236	1.7
55.05503	32.2
57.03430	14.3
57.07067	3.5
59.04991	1.7
61.02905	4.2
65.03930	6.6
67.05497	72.1
69.03423	27.6
69.07062	36.4
69.64062	1.1
69.67786	5.3
69.68220	5.3
70.06593	2.2
70.94267	1.2
71.01347	2.1
71.04981	13.5
73.02905	2.9
78.23144	1.1
79.05106	0.9
79.05485	62.9
81.03409	100.0
81.07047	75.6
82.03745	1.9
83.04970	27.7
83.08611	24.4
85.02896	22.0
85.06552	4.4
87.04451	1.6
88.07669	1.2
91.05470	77.2
93.07034	55.7
95.01292	6.1
95.04961	34.1
95.08597	39.5
95.09200	2.5
97.02886	24.2
97.03468	1.9
97.06517	25.7
97.07098	2.1
97.10149	13.6
99.04435	7.4
99.08106	2.5
103.03958	1.6
103.05482	3.2
105.07018	80.2
107.04949	26.7
107.08583	36.0
109.02878	18.3
109.06502	11.0
109.10136	16.4
111.04444	11.7
111.08059	10.3
113.02384	1.5
113.06020	1.7
113.09653	1.9
115.05429	6.1
116.06270	1.4
117.07000	27.9
117.07784	1.7
119.04910	2.4
119.08565	48.1
120.80221	1.3
121.06499	8.8
121.10136	19.9
123.04432	4.8
123.08055	8.6
123.11691	7.0
125.09634	10.2
127.03896	11.5
127.07645	1.7
128.06238	5.1
129.05479	3.0
129.06987	21.6
130.07796	1.8
131.04945	2.8
131.08549	33.9
133.06497	6.7
133.10114	37.4
135.08058	7.6
135.11671	10.2
137.05994	1.9
137.09621	2.8
137.13219	1.6
141.07014	4.8
142.07776	6.1
143.08543	16.0
144.09200	1.3
145.04926	1.2
145.06458	7.3
145.10097	26.8
147.04462	1.2
147.08078	6.3
147.11673	25.4
149.02324	3.1
149.09581	14.8
149.13242	6.1
151.11214	2.7
153.06891	1.5
153.12750	2.8
154.07776	2.7
155.08498	8.6
157.06538	4.4
157.10110	19.1
159.08057	5.3
159.11658	15.2
161.09627	3.6
161.13214	6.0
163.11166	11.3
165.09166	2.0
165.12781	4.7
167.08554	2.8
169.06509	1.1
169.10130	10.2
171.08049	3.1
171.11655	9.6
173.04483	11.3
173.05843	2.2
173.09673	3.6
173.11812	2.6
173.13313	8.1
175.11194	9.1
175.14838	2.6
176.15465	1.4
177.12805	4.1
179.08673	1.5
179.14279	10.4
181.10210	3.5
181.12241	3.5
183.08015	1.4
183.11647	7.9
184.07372	2.5
185.09665	3.4
185.13301	4.8
187.11209	5.2
189.11256	4.7
189.12793	2.1
191.08769	1.3
191.10626	2.7
193.04987	1.9
193.10315	2.9
193.12198	21.1
195.11736	3.8
195.13664	1.7
197.09866	2.0
197.13297	5.4
199.11153	2.6
199.14856	2.2
201.12749	1.3
203.14386	1.6
205.12262	2.5
207.11736	2.3
209.09828	1.8
209.13272	3.4
211.11267	3.3
211.13205	23.4
215.14403	1.3
219.17448	3.0
227.12625	7.5
229.14317	2.2
229.19539	1.6
237.16495	1.7
239.18007	3.8
247.20682	4.3
249.14946	1.8
256.26245	1.7
257.18991	10.6
261.14935	1.8
267.15878	9.8
273.18445	2.9
275.20035	80.3
285.17087	5.6
291.19617	4.0
293.21173	5.4
295.20535	1.4
299.20114	2.9
301.14383	2.8
311.20111	1.4
313.21927	2.0
317.21100	1.8
331.22821	2.8
337.16437	1.6
337.21677	1.3
349.23828	14.1
355.17618	5.9
355.22272	1.9
369.24246	1.5
383.22189	1.7
393.18915	2.7
411.20291	6.0
419.24344	2.4
431.29269	2.2
439.25327	1.8
443.27841	3.0
449.30698	3.0
457.25278	1.7
461.29272	4.9
467.31931	1.9
473.02362	1.2
513.36133	2.6
523.34009	6.3
541.35138	39.3
559.36273	11.2
575.33801	1.5
583.36523	2.8
605.33521	2.0
625.36926	1.8
649.37042	3.9
667.38422	5.4
685.39319	13.7
703.40356	93.2
704.40869	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	701.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05498	7.3
57.00926	1.8
57.07056	3.7
65.03925	1.5
65.28758	1.4
67.05495	14.2
69.07062	20.5
72.49154	1.6
79.05493	11.7
81.07046	23.6
83.01340	3.8
83.08601	3.5
86.09693	6.9
91.05467	24.2
93.07032	19.7
95.04954	6.0
95.08598	24.4
98.26933	1.7
105.03374	44.7
105.04472	2.0
105.07014	52.8
105.07724	3.1
107.08576	24.6
108.08899	1.9
109.02925	2.1
109.06511	2.8
109.10144	31.2
117.07013	5.1
119.08567	37.7
121.10122	12.9
123.11685	14.8
125.00014	4.4
129.07021	2.3
131.08563	5.8
133.10115	18.1
135.11687	12.7
137.02333	2.3
141.01813	3.6
145.10112	10.3
147.11665	71.0
148.12033	2.5
151.03897	3.2
153.05542	2.8
155.03357	2.3
158.57414	1.6
159.11710	4.3
161.06006	4.5
161.13193	11.8
165.05426	11.3
167.03337	1.8
167.07065	3.9
175.14862	3.0
177.05428	2.1
177.09183	2.1
179.03357	49.3
179.04843	2.9
184.07333	16.8
191.03419	5.6
195.02771	1.6
197.04436	47.6
201.16335	18.3
203.17929	71.8
205.04497	1.6
205.08627	3.1
217.05057	1.8
219.17464	2.3
221.11804	4.4
223.09630	3.1
227.19769	1.8
233.08095	4.1
235.06009	5.2
241.08589	3.7
245.08069	3.4
257.08060	100.0
258.08371	3.4
259.64560	1.6
268.59323	1.8
269.08115	7.3
285.15109	2.2
287.16351	10.7
295.09769	6.1
305.17490	5.1
311.12698	10.1
343.22705	3.9
379.18979	37.7
397.20010	25.9
398.20901	2.3
409.20023	2.2
465.26395	3.8
679.52692	2.0
701.43805	93.5
702.44196	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	699.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01860	0.6
55.05502	1.2
57.03424	1.7
57.07069	0.2
59.04982	0.6
61.02620	0.2
61.02920	3.6
67.05496	4.0
69.03421	2.2
69.07057	1.0
70.06545	0.2
71.01347	0.4
71.04976	1.6
71.05494	0.3
73.02901	2.2
74.27653	0.2
76.96494	0.2
79.05485	3.6
81.03404	4.1
81.07039	2.8
83.04958	1.3
83.08607	1.0
85.02896	3.4
85.06531	0.5
86.09713	0.2
87.04466	0.4
91.03945	1.9
91.05468	2.7
93.07029	3.6
95.04953	1.7
95.08601	1.3
97.02872	3.4
97.06522	1.1
97.10152	0.6
99.04453	0.7
101.02357	1.3
103.03912	0.5
105.07017	1.5
107.04938	0.6
107.08582	2.5
109.02869	0.7
109.06522	0.4
109.10149	0.8
111.04419	0.4
111.08066	0.6
113.05981	0.2
115.03893	0.4
117.07006	0.5
117.17085	0.2
119.08544	1.7
121.06464	0.3
121.10107	1.6
123.04379	0.3
123.08031	0.5
125.09621	0.5
127.03876	1.5
127.07612	0.2
129.05542	0.2
129.07010	0.6
131.08527	1.0
133.10098	1.2
135.08095	0.2
135.11667	3.4
136.07523	0.2
137.09593	0.3
139.03969	0.2
145.04970	0.4
145.06581	0.2
145.10118	1.1
147.08080	0.4
147.11670	1.1
149.09590	1.4
157.10088	1.0
163.11197	0.6
165.12621	0.3
175.11147	0.8
181.12244	0.7
185.04283	0.4
193.12250	1.4
197.15356	0.2
197.76848	0.2
199.13425	0.2
203.05286	0.5
211.13329	0.4
221.11487	1.0
225.14848	0.6
227.12810	0.3
243.08401	1.9
253.14250	0.3
255.15945	0.7
257.57095	0.2
267.15936	0.8
273.14706	0.2
277.14114	0.4
283.15118	3.8
303.04892	1.5
339.17746	1.0
339.38983	0.2
389.93655	0.2
403.04535	0.2
435.60767	0.2
439.19348	10.1
440.19687	0.2
469.20468	0.6
501.23035	9.6
502.23291	0.2
519.29828	0.2
537.30341	0.6
639.32996	0.2
681.35126	0.4
699.35486	100.0
700.35834	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	698.519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.1
53.03938	6.9
55.01872	7.2
55.05239	2.0
55.05503	38.2
57.03198	1.4
57.03430	14.6
57.07074	7.8
65.03923	4.1
67.05495	86.8
69.03397	2.5
69.07058	31.2
69.99035	7.8
71.04982	6.4
71.08256	1.9
71.08620	26.0
73.06548	1.4
77.03902	1.4
79.05482	66.7
81.03410	7.7
81.07046	100.0
83.04966	18.1
83.08602	22.9
85.06528	5.5
91.05467	57.6
91.06043	2.2
93.07033	77.3
95.04951	23.5
95.08592	50.9
97.06524	11.0
97.10164	8.9
99.08084	22.7
105.04523	2.5
105.07016	41.1
105.49644	1.4
107.04930	4.8
107.08580	37.7
109.06488	6.7
109.10138	19.0
111.08070	9.3
111.11711	1.4
113.09624	3.2
115.05499	1.4
117.07004	18.5
119.08574	26.7
121.06470	4.3
121.10124	24.7
123.08041	4.3
123.11684	8.8
125.09599	10.9
127.07478	1.5
129.06981	8.5
131.08534	19.7
133.10104	24.0
135.08029	4.8
135.11676	19.6
137.09586	3.9
139.11139	6.5
141.06996	2.1
141.12724	2.2
143.08583	7.3
144.09358	1.2
145.10098	13.4
147.07990	1.2
147.11662	11.4
149.09593	3.3
149.13225	21.0
151.11160	26.3
153.12700	1.4
155.08554	4.4
157.10127	7.4
159.11647	14.4
161.09578	2.9
161.13216	12.9
163.11163	13.7
163.14854	2.5
165.12741	5.6
167.14311	1.3
169.10118	3.3
171.11662	5.3
173.11775	2.5
173.13200	3.9
175.11067	1.7
175.14818	4.5
177.12730	5.4
179.14311	9.6
181.10063	1.7
183.11668	3.4
185.13248	4.1
187.14767	2.0
189.11208	4.2
189.12747	1.7
191.14218	1.7
193.12231	2.0
195.13770	9.8
197.13283	2.3
199.14822	4.1
201.16386	2.1
211.14853	1.5
219.13618	1.5
227.12718	8.9
231.21091	2.8
241.19496	4.0
249.22200	1.4
251.16405	4.0
253.17830	2.2
254.44125	1.2
259.20551	10.4
261.21991	2.5
267.15839	1.5
269.17438	42.4
277.21588	31.1
277.24591	1.9
295.22562	3.8
299.23843	1.3
315.23294	1.9
333.24112	1.8
343.26248	1.6
351.25287	39.1
367.24976	2.8
369.26242	2.9
371.25931	1.4
431.27661	3.6
435.32410	2.3
439.26672	2.5
445.29648	6.5
447.30832	3.5
449.28680	2.7
453.33478	5.4
463.30536	50.9
471.34262	3.7
489.35416	1.5
505.34781	1.6
513.35034	1.5
517.38800	1.7
527.37329	8.8
529.38275	1.8
531.36652	1.6
545.38336	51.2
546.39117	1.9
563.39362	6.8
627.45886	4.3
645.47058	2.8
659.61798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.03431	3.4
57.07068	11.7
67.05493	10.2
69.07066	20.5
71.08680	1.9
71.62691	2.3
79.05491	7.9
81.07047	16.2
83.01325	2.7
85.06523	2.3
91.05467	11.6
93.07034	23.3
95.08598	21.0
102.39272	2.1
103.42402	2.1
105.07018	18.3
107.08585	21.4
109.06523	5.5
109.10153	16.5
113.60534	2.1
116.66231	2.1
119.08562	16.2
121.10139	8.3
123.11687	6.3
131.08591	5.0
133.10126	7.8
135.08011	3.5
135.11676	26.6
137.05861	3.3
145.10126	6.2
147.11684	17.3
151.90457	3.0
153.05443	9.7
155.64897	2.6
159.11687	7.5
161.13240	2.8
163.07458	4.8
165.05463	49.5
167.07024	14.9
168.23026	2.3
173.09558	5.1
173.13359	2.7
175.07564	2.6
177.05470	7.4
177.09074	11.7
177.16394	2.5
191.10698	6.6
191.17896	2.9
201.09093	4.8
201.16417	6.3
203.17926	23.2
205.08591	2.4
219.10141	71.8
220.10588	2.8
221.11681	6.6
223.09705	2.6
237.11185	100.0
251.12906	2.8
271.13242	2.5
287.16354	9.0
305.17636	5.2
353.20969	2.9
355.22662	31.6
357.20587	3.3
359.22083	10.1
371.22098	5.5
409.27094	2.6
425.26901	7.7
427.28427	58.1
428.28339	2.9
439.28333	11.7
443.27896	3.5
453.93430	2.2
495.34592	13.6
527.70709	2.5
561.38904	4.0
629.45886	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	697.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
53.25765	0.3
55.01859	0.5
55.05494	0.8
57.03423	1.8
59.04981	0.2
61.02924	3.5
67.05496	2.4
69.03426	2.1
69.07048	0.7
69.66269	0.2
71.01362	0.5
71.04977	0.7
73.02910	2.8
79.05496	2.4
81.03410	5.5
81.07057	2.7
83.04957	1.2
83.08601	1.9
84.49036	0.3
85.02387	0.4
85.02899	6.8
86.09686	0.2
91.03954	2.2
91.05470	3.2
93.07032	2.0
95.04970	2.3
95.08596	0.9
97.02892	4.1
97.06499	0.6
99.04424	0.3
101.02381	1.6
103.03926	0.3
105.07021	2.3
107.04929	0.5
107.08592	0.8
109.02861	0.7
109.06523	0.5
109.10171	0.6
111.08074	0.8
115.03924	0.3
117.07005	0.5
119.08568	2.1
121.10168	1.2
123.08035	0.3
123.11684	0.3
127.03924	1.4
129.07008	1.1
131.08563	1.3
133.10143	1.6
133.18892	0.2
135.11755	0.2
137.09653	0.4
145.10062	0.4
147.07967	0.3
147.11699	1.8
149.09601	0.6
157.10149	1.6
165.12737	0.4
173.58945	0.3
175.11147	1.3
184.07373	1.2
185.04221	0.4
193.12268	3.1
193.55139	0.3
199.21587	0.3
203.05318	0.4
204.20879	0.2
211.13345	1.2
238.71033	0.2
243.08368	1.9
251.12462	2.0
257.04593	0.4
267.15845	0.5
271.85913	0.2
285.17014	0.9
288.61139	0.3
307.15137	0.7
315.44543	0.3
461.70035	0.3
469.20450	13.8
470.21036	0.8
515.40845	0.3
535.28717	0.5
697.33978	100.0
698.34344	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	696.54
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01866	0.3
55.05505	6.5
56.04789	0.4
56.05037	3.7
57.03423	0.3
57.07069	3.1
58.06588	0.6
60.04519	1.9
61.02907	0.6
64.32472	0.3
65.03926	0.7
67.04231	0.3
67.05496	11.1
68.05012	0.8
69.03417	1.9
69.07060	8.7
70.06596	2.1
71.08640	1.6
71.45436	0.7
79.05483	8.2
80.05019	2.5
81.03413	0.9
81.05782	1.7
81.07047	10.1
82.06572	6.4
83.04978	0.3
83.08611	4.5
84.08127	0.4
85.02905	3.7
85.10156	1.0
86.06041	0.3
91.05467	7.6
93.05784	0.6
93.06432	0.3
93.07035	9.9
94.06558	16.0
95.04990	1.5
95.06782	0.5
95.07341	7.8
95.08593	7.5
96.08122	5.6
97.02885	1.9
97.06494	0.4
97.10154	3.0
99.04408	0.3
99.80967	0.3
103.64054	0.3
105.07012	5.3
107.08589	4.3
108.08125	2.5
109.02935	0.4
109.10150	3.5
110.09649	0.4
111.11736	0.6
113.43860	0.3
119.08562	5.1
119.75590	0.3
120.08119	0.4
121.08808	0.4
121.10130	5.5
122.09668	2.0
123.11688	1.2
124.11167	0.3
127.03888	0.8
131.08574	0.4
133.10127	3.7
135.10457	0.6
135.11661	2.4
135.12582	0.4
136.11185	1.0
137.13242	0.5
145.04895	0.4
147.11684	1.5
149.13240	1.1
151.14871	0.4
151.80591	0.3
158.23193	0.3
161.13275	0.7
163.14783	0.5
175.14771	0.4
190.95146	0.4
193.19508	0.6
203.17845	0.4
205.19611	0.5
217.19357	0.3
219.21074	0.7
233.22583	3.2
234.22052	0.6
237.22028	0.5
245.22623	4.3
250.25270	5.8
254.24712	1.1
262.25278	100.0
263.23138	0.4
263.25821	3.3
264.26825	0.7
264.74646	0.3
272.25800	5.3
280.26346	5.2
281.26642	0.4
296.25659	0.5
312.25290	0.6
314.27139	0.4
348.29263	0.4
424.17825	0.4
442.31305	0.8
504.47696	4.4
516.47729	32.1
517.47986	2.0
518.42041	0.6
518.49292	8.4
519.49689	0.5
534.48785	7.8
535.48767	0.5
696.53851	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	696.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.7
55.01835	0.3
55.05503	5.3
56.05037	3.4
57.03399	0.5
57.07071	2.7
58.06553	0.7
60.04520	1.9
61.02878	0.7
65.03904	0.7
67.04229	0.3
67.05495	11.0
68.04976	0.8
69.03425	2.0
69.07062	6.1
69.62005	0.5
69.62416	1.7
70.06586	2.0
70.42684	0.2
71.04952	0.3
71.08628	1.4
72.08105	0.6
73.02888	0.3
74.09687	0.3
76.03957	0.3
79.05483	8.1
80.05012	2.7
81.03376	0.6
81.05776	1.2
81.07046	9.5
82.06571	6.1
83.04951	0.3
83.08608	4.5
84.08095	0.5
85.02891	3.8
85.06497	0.3
85.10141	0.6
87.04394	0.4
91.05470	8.1
93.05760	0.4
93.07034	8.2
94.06554	15.4
95.04982	1.4
95.07340	7.1
95.08594	7.7
96.08115	5.7
97.02882	1.7
97.06497	0.3
97.10152	2.4
98.05995	0.3
99.04389	0.3
100.07558	0.4
105.07011	4.8
107.07381	0.2
107.07951	0.4
107.08584	5.5
108.07484	0.3
108.08106	2.9
109.02824	0.5
109.10149	2.9
111.11680	0.8
117.06967	0.4
119.07762	0.3
119.08561	5.3
121.08835	0.5
121.09200	0.3
121.10119	4.3
122.09650	2.6
123.08018	0.2
123.11636	1.0
124.11186	0.4
127.03867	0.9
131.08469	0.3
133.10104	3.2
134.09613	0.4
135.10448	0.5
135.11629	2.8
136.11176	0.6
137.13245	0.5
138.12840	0.2
145.04941	0.4
147.11678	1.7
149.13217	1.1
151.14771	0.5
161.13176	0.8
163.14850	0.5
189.16333	0.3
189.96887	0.3
203.18019	0.2
217.19379	0.3
219.21114	0.6
220.20551	0.3
233.22624	3.0
234.22255	0.4
237.22116	0.4
245.22632	5.0
247.24002	0.3
250.25275	5.8
250.27780	0.3
254.24767	1.4
260.23648	0.3
262.25266	100.0
263.23315	0.6
263.25876	1.7
264.26828	0.6
272.25818	4.5
280.26331	5.9
280.29221	0.5
282.24139	0.3
310.27307	0.3
312.25220	1.2
314.26996	0.3
385.47858	0.2
442.31525	1.0
498.46686	0.3
504.47672	4.2
516.47729	34.5
517.48163	0.7
518.49274	9.3
534.48810	8.4
696.53998	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	696.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01854	4.0
55.05501	18.4
57.03424	8.2
57.07068	16.3
65.03933	2.3
67.05498	43.6
67.59718	0.9
69.03426	2.6
69.07061	20.6
71.04969	3.3
71.08621	15.2
71.81775	1.8
72.50052	1.0
79.05487	32.3
81.02940	1.8
81.03407	29.7
81.07045	50.4
83.04970	7.9
83.08617	17.4
85.06514	3.4
85.10162	7.3
91.04931	1.9
91.05470	29.1
93.07037	37.3
95.04960	14.7
95.08596	33.2
97.06526	8.8
97.10163	6.1
99.08081	4.0
103.05431	1.1
105.07012	23.3
107.04932	3.8
107.08580	16.6
109.06502	4.2
109.10152	12.6
111.08054	2.9
115.05379	1.2
117.06989	8.7
119.08556	17.2
121.06459	3.2
121.10112	11.5
123.08038	2.8
123.11685	4.5
125.09602	3.5
128.06235	1.1
129.07022	6.7
131.08565	13.7
133.06453	2.0
133.10126	15.1
133.14670	1.1
135.08078	1.9
135.11656	9.6
137.09625	3.1
138.53671	1.0
139.11139	1.3
142.07846	1.5
143.08537	3.8
145.10124	9.1
145.11162	1.4
147.08017	2.6
147.11668	9.4
149.09587	5.8
149.13293	6.9
151.11122	7.5
155.08527	1.8
157.10086	5.9
159.11674	6.4
161.13243	3.5
163.11139	4.8
163.14789	1.7
165.12698	3.4
169.10100	2.3
171.11655	2.7
173.13229	4.1
175.11163	3.8
177.12703	3.2
179.14270	2.9
183.11671	2.3
185.13293	2.1
189.11240	1.7
190.80232	1.0
193.12207	3.6
195.13826	3.9
197.13342	1.4
199.14847	1.3
213.14850	1.1
217.15820	1.0
227.12827	3.1
236.16438	4.5
239.23579	1.1
241.19429	1.6
249.14728	1.2
253.14159	1.2
255.15952	3.5
257.19012	3.6
259.20551	2.6
267.15778	1.9
269.17432	14.6
275.20050	8.3
277.21561	5.6
282.27887	1.8
349.23672	7.8
351.25275	7.3
367.24942	1.3
431.27844	1.2
433.29694	1.2
449.28934	7.3
463.30499	13.1
505.38821	100.0
506.39020	8.1
525.35913	1.5
531.36670	1.5
543.36639	10.1
545.38251	7.6
561.37732	3.1
599.84186	1.1
625.43622	2.2
708.69128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.5
53.03931	2.8
55.01862	5.8
55.05500	20.5
56.05847	0.6
57.03428	4.8
57.07064	3.5
59.04975	0.8
65.03919	1.8
67.05492	38.9
69.03421	2.9
69.07056	21.0
69.97146	3.2
71.04980	3.0
71.08618	28.1
79.05479	28.5
80.05815	0.7
81.03403	5.8
81.07041	39.8
82.07364	0.7
83.04501	0.7
83.04964	9.1
83.08604	9.9
85.02873	0.8
85.06515	1.9
85.10161	0.7
86.09678	0.6
91.05465	22.0
93.07024	30.9
95.04948	10.0
95.08588	20.6
96.08900	0.6
97.06511	5.3
97.09572	0.7
97.10157	8.8
99.08076	18.7
103.05389	0.5
105.07009	16.9
107.04936	4.8
107.08575	18.8
108.05724	1.1
108.08873	0.7
109.06483	4.2
109.10137	8.2
110.10481	0.5
111.04440	0.6
111.08048	3.7
111.11672	0.7
113.05952	0.6
113.09620	0.6
115.05400	0.7
117.07004	8.4
119.08557	9.1
120.55854	0.5
121.06481	6.7
121.09253	0.7
121.10117	10.2
123.08035	2.8
123.11679	3.0
125.09605	5.1
128.06166	0.6
129.07005	2.8
131.08548	8.1
133.06435	0.7
133.10106	9.8
135.08017	2.9
135.11681	8.0
137.09648	1.0
137.13216	0.7
139.07452	0.5
139.11143	2.9
141.06914	0.6
141.12781	0.6
143.08554	2.8
145.10106	5.1
146.77585	0.5
147.07991	0.9
147.11665	5.2
149.09569	1.9
149.13231	6.9
151.11142	10.2
152.11566	0.6
153.05620	0.6
153.09058	0.9
153.12680	0.8
155.08534	0.9
155.30904	0.5
157.10103	2.8
159.08070	0.5
159.11679	5.1
161.09587	0.7
161.13219	4.3
163.11156	5.9
163.14822	1.1
164.11903	0.8
165.12769	2.8
167.10652	1.7
167.14267	0.9
169.10091	0.6
171.11638	2.1
173.11746	0.8
173.13251	1.2
175.11191	0.9
175.14806	1.5
177.09048	0.5
177.12704	4.7
179.10643	0.7
179.14276	3.6
181.10025	0.6
183.11531	0.6
184.07265	1.5
185.13301	0.8
187.11105	0.6
187.14818	0.7
189.11203	3.1
189.12706	0.8
191.14172	0.6
193.12201	0.9
193.15805	0.6
195.13770	3.6
199.14854	1.0
211.13139	0.6
213.14796	0.6
217.15779	0.6
219.10056	0.7
223.13181	0.7
227.12712	4.5
231.20955	0.6
233.15366	0.7
237.11090	0.7
237.14819	0.7
241.19434	2.2
247.20613	1.0
251.16356	1.3
253.14354	0.5
257.18970	0.8
259.20505	3.1
265.21597	0.6
267.15942	1.4
269.17450	11.5
270.17844	0.5
275.20020	8.3
277.21564	8.1
293.21057	100.0
294.21426	4.3
295.22604	0.7
311.22156	0.8
315.23041	0.6
333.24026	1.4
349.23676	2.3
351.25241	13.8
367.24753	20.7
368.25027	1.1
465.31952	0.9
507.36890	0.7
515.37476	0.7
521.34711	0.8
523.39703	0.6
524.40143	3.1
527.37476	1.0
529.81799	0.5
543.36798	2.4
545.38177	1.3
561.37744	46.4
562.38318	2.8
625.43964	0.8
627.45837	0.6
643.45544	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	696.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01854	4.0
55.05501	18.4
57.03424	8.2
57.07068	16.3
65.03933	2.3
67.05498	43.6
67.59718	0.9
69.03426	2.6
69.07061	20.6
71.04969	3.3
71.08621	15.2
71.81775	1.8
72.50052	1.0
79.05487	32.3
81.02940	1.8
81.03407	29.7
81.07045	50.4
83.04970	7.9
83.08617	17.4
85.06514	3.4
85.10162	7.3
91.04931	1.9
91.05470	29.1
93.07037	37.3
95.04960	14.7
95.08596	33.2
97.06526	8.8
97.10163	6.1
99.08081	4.0
103.05431	1.1
105.07012	23.3
107.04932	3.8
107.08580	16.6
109.06502	4.2
109.10152	12.6
111.08054	2.9
115.05379	1.2
117.06989	8.7
119.08556	17.2
121.06459	3.2
121.10112	11.5
123.08038	2.8
123.11685	4.5
125.09602	3.5
128.06235	1.1
129.07022	6.7
131.08565	13.7
133.06453	2.0
133.10126	15.1
133.14670	1.1
135.08078	1.9
135.11656	9.6
137.09625	3.1
138.53671	1.0
139.11139	1.3
142.07846	1.5
143.08537	3.8
145.10124	9.1
145.11162	1.4
147.08017	2.6
147.11668	9.4
149.09587	5.8
149.13293	6.9
151.11122	7.5
155.08527	1.8
157.10086	5.9
159.11674	6.4
161.13243	3.5
163.11139	4.8
163.14789	1.7
165.12698	3.4
169.10100	2.3
171.11655	2.7
173.13229	4.1
175.11163	3.8
177.12703	3.2
179.14270	2.9
183.11671	2.3
185.13293	2.1
189.11240	1.7
190.80232	1.0
193.12207	3.6
195.13826	3.9
197.13342	1.4
199.14847	1.3
213.14850	1.1
217.15820	1.0
227.12827	3.1
236.16438	4.5
239.23579	1.1
241.19429	1.6
249.14728	1.2
253.14159	1.2
255.15952	3.5
257.19012	3.6
259.20551	2.6
267.15778	1.9
269.17432	14.6
275.20050	8.3
277.21561	5.6
282.27887	1.8
349.23672	7.8
351.25275	7.3
367.24942	1.3
431.27844	1.2
433.29694	1.2
449.28934	7.3
463.30499	13.1
505.38821	100.0
506.39020	8.1
525.35913	1.5
531.36670	1.5
543.36639	10.1
545.38251	7.6
561.37732	3.1
599.84186	1.1
625.43622	2.2
708.69128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98080	1.0
51.02379	1.1
53.03933	5.2
55.01867	12.8
55.05506	33.7
56.48325	1.0
57.03428	11.0
57.07062	8.1
59.04988	2.8
65.03925	2.7
67.05496	90.3
69.03405	5.4
69.07059	25.6
69.64804	2.3
69.65221	8.3
70.07374	1.1
71.04986	7.1
71.08621	16.1
73.02922	1.0
77.03918	1.0
79.05482	59.7
81.03414	14.6
81.07046	93.2
82.07364	1.5
83.04970	21.1
83.08610	20.6
85.02877	1.1
85.06534	7.2
85.10184	2.0
91.05467	63.8
92.72469	1.1
93.07033	71.9
94.07370	1.5
95.04958	24.9
95.08592	47.7
97.02885	2.7
97.06520	12.5
97.10153	6.7
98.20642	2.1
99.04440	2.2
99.08077	16.9
103.05358	1.4
104.18137	1.1
105.07018	51.9
107.04940	10.8
107.08580	45.3
109.06504	11.7
109.10144	42.0
110.10504	1.5
111.04436	1.5
111.08048	7.7
113.06025	1.4
113.09650	2.9
117.07007	12.6
119.08567	23.6
121.06497	7.4
121.10123	21.9
123.04408	3.6
123.08054	11.8
123.11702	9.4
125.09628	8.6
127.07530	2.0
128.06178	1.5
129.06981	4.6
131.08545	21.8
133.06445	2.6
133.10112	56.2
134.10481	1.8
135.08069	5.6
135.11673	20.2
137.09586	11.9
139.11162	4.8
143.08557	4.7
145.06413	1.4
145.10104	14.3
147.08026	1.8
147.11653	11.4
149.09564	5.3
149.13223	11.8
151.11160	42.5
152.24425	1.2
153.05565	1.3
153.12703	3.0
155.08504	1.7
157.10124	4.4
159.11671	11.8
161.09598	4.8
161.13228	9.8
163.11157	16.8
163.14835	4.2
165.09099	5.8
165.12732	4.4
167.14337	1.4
169.12253	5.8
171.11688	3.4
173.13257	5.7
175.11259	1.6
175.14790	2.9
177.12746	7.9
179.10658	2.5
179.14336	7.6
183.11603	2.5
185.13255	3.4
187.14809	2.2
189.12729	2.6
191.14328	1.7
193.12289	2.4
193.31161	1.2
195.13823	9.2
201.16458	1.4
205.08513	1.2
207.13837	1.8
215.12651	2.0
219.10168	2.3
227.12752	2.6
229.19502	4.0
231.21016	2.3
237.11203	1.5
241.19492	2.8
247.20555	4.6
251.16530	2.8
253.14313	38.6
254.14610	1.6
257.18997	4.8
259.20599	5.5
265.21594	1.5
267.15839	1.6
269.17468	22.9
275.20047	46.8
276.20554	2.2
277.21570	16.6
293.21054	20.5
331.22614	1.8
332.18137	1.1
349.23730	15.6
351.25250	29.4
352.25534	1.9
367.24753	25.3
368.25293	1.8
369.26123	1.7
447.27316	4.2
465.28668	3.4
479.29916	1.4
507.37573	1.3
529.38849	2.0
543.36902	11.7
547.36096	3.3
561.37769	100.0
562.38153	7.2
625.44281	4.0
643.45587	10.8
661.46844	1.4
696.30585	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	696.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01863	3.2
55.05500	15.3
56.17181	0.5
57.03423	4.9
57.07067	15.7
65.03915	1.7
67.05492	37.7
67.44079	0.6
69.03420	1.6
69.07053	18.5
70.66669	1.1
70.67053	1.1
71.04977	3.9
71.08620	13.7
72.69022	0.6
78.23824	0.6
79.05479	30.1
79.82194	0.5
81.03405	30.0
81.07042	44.8
83.04965	7.2
83.08607	16.5
85.06539	2.9
85.10166	5.8
91.05464	27.2
91.06039	1.4
93.07030	34.4
95.04504	0.4
95.04955	14.5
95.08587	27.9
97.02869	0.8
97.06518	7.3
97.10161	6.3
98.98414	0.6
99.08086	5.1
105.04495	0.8
105.07011	20.6
105.07722	1.3
107.04930	4.3
107.08576	18.4
109.06507	4.8
109.10138	11.1
111.08061	5.3
113.09620	1.3
115.05458	1.0
117.07002	8.5
119.08558	16.4
120.12421	0.6
121.06476	3.6
121.10123	10.2
123.08041	2.2
123.11676	3.6
125.09593	2.9
128.06189	0.9
129.06993	6.4
130.07770	0.6
131.08551	13.5
133.06480	2.1
133.10106	11.2
135.08009	2.9
135.11667	7.3
137.06009	0.6
137.09583	2.4
137.13135	0.7
139.11159	1.1
141.06981	0.9
142.07761	1.1
143.08548	2.7
145.06335	0.7
145.10106	9.0
147.08040	2.5
147.11665	9.1
149.09596	5.7
149.13246	6.9
151.11150	6.7
155.08517	2.6
155.96303	0.6
156.09422	0.8
157.10092	5.0
159.07993	0.8
159.11696	5.8
161.09567	0.9
161.13226	3.5
163.11165	5.3
165.05389	0.7
165.12741	1.7
169.10164	2.0
169.12280	0.7
171.11684	2.7
173.13231	3.8
175.11147	3.3
175.14784	1.0
177.12689	3.3
179.14302	1.9
181.10060	0.8
181.12228	1.3
183.11693	1.7
184.07346	0.8
185.13239	2.2
187.14842	0.9
188.60275	0.6
189.11249	1.4
189.16389	0.9
193.12199	5.7
195.12022	0.7
195.13788	3.8
197.13251	1.0
201.16348	0.6
205.17551	0.6
211.14833	0.7
213.16434	1.1
215.17999	0.8
227.12730	3.2
231.21130	1.0
236.16354	3.8
239.18042	1.2
241.19405	0.8
247.20667	1.1
251.16438	1.1
255.15831	3.3
257.18961	2.1
259.20523	2.7
267.15878	2.5
269.17419	13.1
275.20023	9.8
277.21594	5.2
282.27789	1.0
293.21115	0.9
313.27267	1.0
339.22940	0.7
349.23700	7.3
351.25266	7.2
367.24780	1.5
431.27811	1.4
445.29163	1.0
447.31409	0.6
449.28888	7.2
463.30511	13.4
505.38803	100.0
506.39056	5.4
525.35388	1.1
531.36975	1.8
543.36792	8.0
545.38263	4.7
561.37866	2.6
625.44879	1.2
646.40625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01851	1.3
55.05502	17.2
57.03436	6.0
57.07066	9.9
59.04966	0.9
61.02919	23.2
61.77274	0.7
65.03912	2.2
67.05496	70.9
69.03406	3.5
69.07063	25.6
70.21185	1.4
70.21590	3.3
71.04975	2.2
71.08631	4.3
72.56726	0.7
73.02905	10.8
75.04446	1.1
79.05483	21.1
81.03394	2.4
81.07047	84.1
83.04964	2.3
83.08608	20.0
85.02898	28.1
85.06515	2.3
85.10162	3.2
86.03207	0.8
91.03368	1.1
91.03944	23.1
91.05466	15.3
93.07033	23.9
95.04961	2.5
95.08594	71.8
96.04555	0.8
96.08916	1.7
97.02882	14.6
97.06522	7.2
97.09566	1.0
97.10154	13.0
99.04426	2.9
99.08085	4.9
103.03896	0.7
105.07023	11.5
106.95346	0.8
107.07915	1.3
107.08582	17.1
109.02841	1.8
109.06503	1.2
109.10143	34.9
111.08059	3.3
111.11705	4.2
113.09631	2.6
115.03904	1.2
117.06966	0.7
119.08554	12.4
121.10129	20.4
123.08080	1.3
123.11691	21.0
125.09597	2.6
125.13261	1.1
127.03893	10.6
127.11115	1.1
131.08545	1.1
133.09167	1.1
133.10106	15.4
135.11679	12.9
137.09593	2.6
137.13219	7.6
139.11168	1.1
139.89767	0.8
141.12723	3.1
145.04945	13.3
147.10727	1.0
147.11678	11.3
149.13249	10.1
151.11137	2.2
151.14806	6.0
155.14267	3.1
159.11717	1.1
161.13235	15.4
163.06007	19.5
163.14789	12.2
165.12691	1.4
165.16364	9.8
167.14221	1.0
175.14790	10.8
176.15169	0.8
177.16371	1.8
179.17886	5.8
181.15848	1.5
189.16379	6.2
193.15904	1.4
203.17903	2.1
217.19487	1.8
245.22617	65.0
246.22960	2.1
247.24121	1.5
263.23666	100.0
264.21613	0.7
264.24091	5.6
265.25192	0.9
277.08643	0.8
281.24683	3.0
337.27338	72.3
338.27777	4.0
355.28391	18.5
356.28491	1.2
373.57480	0.9
481.31772	1.1
492.98349	0.8
499.32507	5.4
696.36981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.4
55.01844	1.2
55.05507	6.1
57.03430	10.7
57.07055	0.5
57.73415	0.3
61.02906	0.7
65.03910	1.0
67.05497	23.4
69.03405	1.0
69.07063	6.1
71.00886	0.9
71.01319	2.5
71.04985	2.7
73.02876	0.4
74.02020	0.3
79.05483	21.0
81.03408	36.4
81.07043	13.8
83.04522	0.3
83.04973	5.1
83.08608	9.0
85.02891	1.7
85.06536	2.1
86.09660	1.0
91.04936	0.7
91.05469	11.5
93.07033	24.5
95.04957	12.0
95.08595	4.9
97.02853	1.4
97.06520	5.9
97.10156	6.7
99.04433	0.4
99.08070	1.2
103.81547	0.3
105.07011	6.6
107.04957	3.5
107.08577	17.6
108.08868	0.4
109.06490	1.7
109.10138	3.3
111.04420	0.9
111.08061	4.4
113.05967	0.3
115.05448	0.4
117.07011	2.8
119.07749	0.5
119.08566	8.5
121.06493	1.6
121.10129	6.3
123.04431	0.6
123.08043	0.7
124.99976	0.8
125.09613	1.6
129.06975	4.1
131.08537	3.5
133.06474	1.9
133.10103	3.6
135.08058	0.8
135.11676	30.3
137.09612	1.8
142.07745	0.8
143.08524	0.4
145.10101	4.8
147.08044	1.9
147.11668	3.9
149.09613	2.1
151.11108	0.5
153.12701	1.0
157.08867	0.4
157.10112	5.0
159.11731	0.4
161.09592	0.5
163.11159	5.2
165.12750	0.7
173.98711	0.4
175.11180	5.0
181.12213	5.6
184.07300	2.4
193.12224	11.3
199.13275	1.0
205.12291	0.5
211.13272	1.6
249.14833	1.5
255.15884	63.1
255.87733	0.4
256.16229	1.3
259.13303	0.4
267.15878	39.0
268.16254	0.9
269.17639	0.9
285.17038	0.6
329.21350	0.7
355.22714	0.7
373.23874	0.8
403.24585	1.8
421.25803	8.8
422.26608	0.4
439.26758	0.5
447.27374	100.0
448.27707	4.2
461.28650	1.2
465.28363	3.7
479.29968	2.5
480.95602	0.3
489.28336	1.4
497.31287	0.8
555.29333	1.0
573.30658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
55.01863	1.0
55.05280	0.7
55.05502	7.7
57.03430	3.7
57.07065	4.0
61.02916	23.9
65.03927	1.5
67.05495	47.1
69.03419	3.0
69.07059	8.2
70.97916	1.3
70.98260	0.7
71.05001	2.5
71.05504	0.5
71.08619	1.1
73.02911	8.5
75.04449	0.8
79.05482	27.4
81.03391	1.4
81.07047	54.5
82.07381	1.1
83.04964	1.2
83.08607	6.6
85.02895	28.8
85.06522	2.5
87.04432	0.9
88.26036	0.5
91.03947	23.4
91.05466	16.3
93.07034	44.0
95.04949	2.2
95.08594	44.9
97.02882	13.7
97.06506	2.0
97.10163	3.8
98.55081	0.5
99.04426	1.8
99.08083	2.1
103.03933	0.6
105.04463	0.6
105.06351	0.9
105.07017	12.6
107.08577	27.1
109.02854	1.6
109.06512	1.6
109.10142	27.1
110.10464	0.8
111.08051	2.4
113.09641	0.8
115.03919	1.3
117.07001	6.7
119.08564	12.0
121.10130	30.0
121.43176	0.5
122.10474	0.7
123.08080	1.2
123.11697	15.3
125.09616	1.4
127.03899	11.1
131.08551	15.0
133.10115	12.0
135.11679	25.3
137.09587	1.5
137.13245	5.7
139.11145	1.1
144.17778	0.6
145.04942	13.7
145.10106	11.7
147.11682	9.4
149.13245	18.0
151.11147	2.1
151.14830	1.8
153.12746	1.5
159.11671	11.6
161.13239	10.0
163.06013	23.0
163.11102	0.6
163.14801	15.5
165.12729	2.4
165.16345	1.3
167.14227	0.8
171.11690	0.6
171.54996	0.5
173.13232	14.5
175.14742	3.4
177.12761	1.6
177.16333	5.6
179.14293	2.6
187.14809	7.3
191.14211	1.3
201.16360	2.7
205.15900	2.2
206.85939	0.6
215.17899	1.3
217.19479	0.6
219.17439	1.6
219.58725	0.5
233.22610	2.9
243.21056	34.1
244.21295	0.9
245.17442	0.7
245.22543	0.7
257.74780	0.5
261.22113	100.0
262.22440	3.0
263.23743	2.1
279.23087	2.5
335.25769	17.9
336.26248	0.7
353.26825	68.0
354.27036	3.4
479.29941	0.6
497.31290	1.3
514.35632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
53.32112	1.0
54.91271	0.9
55.01864	4.0
55.05499	15.2
55.16016	0.9
57.03173	1.1
57.03432	15.7
59.04992	4.1
60.08144	2.7
61.02924	4.9
65.03911	1.3
67.05494	100.0
69.03426	7.3
69.07059	12.0
71.01366	1.4
71.04981	32.0
71.07362	2.4
71.22330	1.9
79.05478	36.4
79.05944	1.9
81.03406	53.1
81.07047	44.2
82.07396	1.5
83.04972	14.7
83.08603	23.0
85.02892	30.0
85.03405	1.7
85.06530	8.5
86.09694	16.2
91.03941	3.7
91.05466	45.9
92.05756	1.1
93.07030	34.0
95.04952	27.6
95.08592	19.6
97.02865	5.9
97.06529	8.9
97.10148	4.3
99.04452	1.5
99.08080	2.9
105.06365	0.8
105.07017	23.1
106.07383	1.2
107.04944	9.5
107.08580	20.4
107.09267	1.8
109.06509	7.6
109.10136	72.8
110.10518	1.6
111.04475	2.3
111.08062	15.6
111.64426	1.1
113.05965	2.4
113.15812	1.1
115.05376	1.4
117.07005	6.1
119.08559	33.9
119.09418	2.1
121.06484	4.4
121.10120	14.2
123.08066	2.8
123.11703	2.1
124.99988	10.3
125.09646	3.8
129.07004	12.7
131.08548	13.4
133.06474	3.1
133.10103	19.9
135.11679	18.1
137.09598	14.1
142.07758	2.5
145.10085	5.9
147.08064	3.0
147.11661	17.8
147.12746	1.6
149.09572	7.2
149.13239	3.0
151.11185	2.2
153.12848	1.0
155.08565	1.1
155.10660	3.1
157.10101	16.7
159.11725	1.1
163.11191	6.2
165.12770	3.5
169.12302	2.9
173.11736	11.8
175.11153	18.9
181.12170	4.8
184.07323	53.8
193.12210	43.7
194.12714	1.1
211.13261	44.1
212.13615	1.5
229.14346	4.5
237.14876	1.3
239.16313	1.9
243.15973	2.8
249.14874	1.0
255.13409	0.9
255.15933	17.7
267.15881	36.6
268.16080	1.3
269.17432	9.3
285.16946	27.4
287.18484	27.8
294.21228	1.0
329.21161	2.0
403.24649	2.5
421.20096	2.2
421.25809	41.2
422.26059	1.7
429.26404	1.7
431.22668	1.3
439.26852	96.4
440.27216	3.7
443.27847	1.1
447.27341	59.9
448.27676	2.5
453.28400	13.9
461.28943	20.9
465.28436	83.8
466.28769	3.7
479.29941	14.9
497.31030	70.0
498.31168	2.5
609.32477	2.3
641.35144	2.3
644.35437	8.0
695.32294	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	694.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01854	0.1
55.05494	0.3
56.05018	0.5
57.03421	0.4
57.07076	0.1
58.06571	1.3
59.07365	0.7
60.08154	5.4
61.02912	0.1
67.05498	1.1
69.03416	0.3
69.07054	0.3
69.76378	0.8
70.06582	0.1
71.04968	0.2
71.07367	2.1
79.05480	1.0
81.03407	1.2
81.07037	1.0
83.04975	0.5
83.08588	0.5
85.02892	0.5
86.09692	24.5
87.10040	0.3
91.05468	1.0
92.05787	0.1
93.07017	0.9
95.04939	0.7
95.08591	0.4
97.02892	0.1
97.06490	0.3
97.10163	0.1
98.98450	2.0
104.10732	2.2
105.07024	0.8
107.04951	0.2
107.08576	0.5
109.06516	0.2
109.10137	0.4
109.91962	0.1
111.08048	0.2
117.06973	0.2
119.08552	0.7
121.10093	0.9
124.99984	15.5
125.09606	0.2
129.06999	0.3
131.08578	0.5
133.10112	0.6
135.11690	0.2
137.09602	0.2
143.01047	0.3
145.10095	0.2
147.08032	0.1
147.11673	0.3
148.88316	0.1
149.09642	0.4
157.10138	0.3
163.11285	0.1
165.12727	0.1
167.10672	0.2
169.39322	0.1
175.11160	0.3
179.10510	0.1
184.07317	100.0
185.07645	1.0
193.12224	0.9
194.12561	0.2
203.82732	0.1
211.13249	1.1
222.08841	0.9
224.10463	0.3
240.10103	0.1
253.14423	0.1
255.15898	0.1
267.15872	0.5
271.15289	0.2
282.10919	0.2
285.16913	0.8
286.17343	0.1
287.14874	0.8
287.17874	0.2
354.13220	0.2
421.26175	0.1
435.27133	0.1
447.27142	0.2
453.28656	0.1
461.28751	0.3
465.28192	0.2
479.29428	0.3
491.23529	0.1
496.29990	0.1
497.27133	1.6
694.35553	8.7
695.35919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.9
52.76428	0.7
53.03939	2.7
54.31116	0.7
55.01872	3.9
55.05506	22.1
57.03428	11.6
57.07065	3.3
59.04993	2.7
61.02915	6.4
65.03924	1.9
67.05495	94.7
68.05836	1.6
69.03422	2.5
69.07061	22.5
71.01343	1.5
71.04620	1.4
71.04986	17.3
71.08615	0.9
71.78017	1.1
73.02907	3.0
74.56601	0.7
75.57991	0.7
79.05483	36.7
80.05836	0.9
81.03407	8.7
81.07047	100.0
82.07394	2.2
83.04973	9.4
83.08608	20.2
85.02892	9.7
85.06533	9.3
87.04469	3.0
90.83266	0.8
91.03960	1.5
91.05466	25.8
93.07034	53.5
94.07349	1.1
95.04957	7.0
95.08595	22.6
97.02881	4.6
97.06525	11.2
97.10160	7.9
99.04464	1.6
99.08102	3.4
101.35912	0.9
104.29295	0.8
105.07008	12.9
105.07642	1.0
107.04932	2.8
107.08581	31.5
108.10206	0.7
109.06506	3.6
109.10141	32.4
111.04433	1.5
111.08069	7.5
113.04240	0.6
113.06008	1.1
116.04681	0.8
117.07004	10.2
119.08566	6.5
121.06502	2.1
121.10126	15.6
121.10996	0.9
122.10497	1.0
123.08079	2.2
123.11690	11.9
125.09621	6.7
126.45963	0.8
129.05481	2.5
129.07002	1.5
131.08557	9.8
133.10120	19.2
135.08086	2.3
135.11667	10.9
137.09599	2.0
139.11166	1.1
143.10692	1.2
145.10124	2.9
147.11670	2.9
149.09644	2.0
149.13240	23.3
151.11151	6.8
153.12762	1.8
155.10669	2.9
157.10114	1.7
159.11679	13.4
163.11157	4.9
165.12791	2.1
167.14305	1.3
169.12291	1.7
173.09641	0.9
173.11732	7.7
173.12976	0.9
175.11227	0.9
177.12729	5.8
181.12164	1.3
183.13809	1.5
184.07399	1.7
187.13345	3.2
191.10689	1.8
193.12291	2.9
195.13788	13.5
199.13257	3.6
201.14912	0.8
209.11795	3.1
211.13403	2.4
213.14819	2.0
219.13678	0.8
225.14857	1.3
227.12738	4.3
229.14334	31.5
230.14697	0.9
239.16473	1.3
251.16280	0.8
257.13306	0.7
267.15814	4.4
269.17441	50.3
270.17776	1.3
283.15488	2.5
297.17081	1.7
301.16537	10.5
301.20215	7.0
383.30466	0.7
393.26556	1.4
411.27353	3.9
422.26700	1.0
423.27393	28.1
424.27872	2.5
437.28940	35.9
438.29327	1.8
451.30399	5.6
463.30508	93.0
464.30807	6.3
477.28247	1.5
495.33115	31.0
496.33704	1.6
513.30542	8.7
607.34143	0.9
639.37372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01865	2.7
55.05501	17.6
57.03157	1.1
57.03428	12.4
57.07059	2.3
59.04978	2.3
61.02909	3.9
65.03926	2.0
67.05495	75.0
69.03404	2.4
69.07062	16.1
70.19456	2.9
71.01344	0.9
71.04602	1.4
71.04982	19.6
71.08614	0.8
73.02900	3.2
73.06564	0.9
73.25945	0.7
78.98871	0.7
79.05483	30.3
81.03408	6.0
81.07045	92.7
82.07389	1.1
83.04968	6.5
83.08602	16.3
85.02894	7.0
85.06539	8.0
87.04443	2.2
91.03946	1.4
91.05463	25.0
93.07031	44.4
95.04955	6.8
95.08595	17.4
97.02879	3.2
97.05943	1.1
97.06519	8.5
97.10151	5.8
98.21402	0.9
99.04464	1.3
99.08081	3.1
105.04448	0.9
105.07020	9.5
107.04919	2.0
107.08578	26.5
107.72407	0.8
109.06487	2.9
109.10137	20.0
111.08049	6.6
111.79445	0.7
113.06004	1.0
117.07003	7.5
119.08561	5.8
121.06488	2.6
121.10122	14.9
122.10326	0.8
123.08029	1.4
123.11681	9.9
125.09605	5.6
127.07555	1.2
129.05467	1.7
131.08569	9.2
133.10115	17.4
135.08054	2.1
135.11693	8.0
137.09552	1.0
139.11127	1.6
139.62701	0.8
145.10101	1.7
147.11655	1.9
149.09586	2.2
149.13242	23.3
151.11153	5.1
153.12741	1.6
155.10629	1.3
159.11667	10.5
163.11185	3.2
165.12744	1.5
167.14273	1.0
173.10413	1.0
173.11729	5.9
173.12996	1.1
175.11215	1.5
177.12790	4.8
181.12180	0.9
183.13742	1.9
187.13211	2.4
187.71780	0.9
193.12254	1.2
195.13756	9.2
199.13297	3.0
209.11688	1.8
211.13106	0.9
213.14839	2.0
225.14906	0.8
227.12767	3.3
229.14316	20.0
239.16437	1.8
257.17545	1.1
267.15842	3.7
269.17441	39.9
270.17758	1.2
283.15475	1.3
301.16431	6.0
301.20053	7.3
393.26566	1.2
411.27359	3.2
423.27451	16.8
431.28131	1.2
437.28949	37.2
451.30243	5.7
463.30505	100.0
464.30984	3.9
477.28394	1.3
495.33908	31.1
513.30505	6.5
639.36902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
53.15661	0.9
55.01864	13.8
55.05505	31.6
57.03430	23.4
57.07064	4.1
59.04984	2.0
61.02919	9.1
65.03922	3.1
67.05495	80.3
69.03429	5.9
69.07059	25.9
71.01341	1.5
71.04990	7.2
71.08618	1.3
71.25615	1.9
73.02916	7.5
78.04667	0.8
79.05483	46.2
81.03407	20.8
81.07045	88.1
82.04198	5.0
83.04972	16.0
83.08607	26.0
84.02102	1.8
85.02892	11.9
85.06535	6.7
85.15417	1.0
88.24737	1.1
91.03947	4.0
91.05470	36.9
93.07033	58.8
95.04956	18.9
95.08591	25.5
97.02869	7.6
97.06519	15.6
97.10151	15.6
98.07311	8.1
99.08082	2.3
103.03941	1.1
105.07020	15.2
107.04940	7.0
107.08577	38.2
109.06491	5.9
109.10138	16.3
111.04447	2.3
111.08070	10.3
113.05993	1.9
115.05414	1.1
116.04698	15.1
117.07006	13.3
119.08559	10.9
121.06515	3.9
121.10127	17.8
123.08025	5.2
123.11700	7.2
125.06038	1.7
125.09607	18.5
127.03918	1.3
127.11160	2.3
129.05469	33.5
129.07010	3.4
130.07721	1.0
131.08553	13.3
133.10124	23.1
135.08031	3.7
135.11674	16.8
137.09607	3.5
139.07515	1.2
139.11252	1.2
142.07759	0.9
143.07018	8.9
143.10645	2.6
145.10106	5.2
146.03389	1.1
147.08047	1.7
147.11667	5.8
149.09601	3.3
149.13231	24.9
151.11188	3.5
153.09123	1.6
153.12703	2.4
155.10616	1.3
157.08603	17.4
157.10075	3.2
158.05832	1.2
159.11668	14.0
163.11185	9.3
165.12738	2.0
167.14297	1.3
171.06532	3.0
171.10191	3.7
173.09621	1.5
173.11743	5.4
175.11191	2.7
177.12697	7.5
181.12215	2.3
185.08052	1.5
189.11223	7.9
191.10643	2.9
193.12189	5.9
195.13789	28.5
196.14203	1.5
199.13277	18.0
200.14058	2.8
209.11694	8.1
211.13290	4.8
213.14876	4.2
227.12747	11.3
229.14351	4.6
255.15889	2.5
265.14236	2.0
267.15891	7.9
269.17447	96.5
270.17868	3.5
283.15387	14.9
284.15958	1.3
285.16992	3.0
295.19113	2.0
301.16422	62.8
302.16809	2.8
323.18524	5.0
337.19824	1.1
339.17972	1.2
351.21768	2.1
388.06146	0.9
393.26282	5.5
411.27338	21.5
411.32364	1.8
412.27988	1.6
423.27365	47.6
424.27713	3.0
459.27466	2.4
461.28873	6.6
469.71884	1.2
477.28302	14.0
478.29196	6.1
495.29474	100.0
496.29950	10.6
621.32581	1.6
639.33643	2.3
695.72339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77394	0.7
53.03931	3.1
55.05502	36.4
56.05835	0.8
57.03418	20.9
57.07064	2.0
59.04995	5.6
61.02913	9.8
65.03926	2.8
67.05493	100.0
67.17063	0.6
68.05824	1.8
69.03415	5.2
69.06677	1.2
69.07057	19.2
70.07402	0.8
71.01343	1.7
71.04979	6.8
73.02895	6.3
79.05479	40.3
81.03402	14.4
81.07041	79.7
82.07372	0.8
83.01345	1.3
83.04967	12.6
83.08602	22.3
85.02893	21.7
85.06509	5.3
87.04455	6.3
91.03962	3.7
91.05466	30.6
91.06038	1.5
93.07027	45.9
94.07358	1.0
95.04956	9.1
95.08591	24.5
97.02866	8.9
97.03368	0.8
97.06518	11.7
97.10152	18.0
98.21474	1.3
99.04447	2.1
99.08093	2.6
103.03928	1.7
105.07002	14.0
107.04912	4.6
107.08577	32.6
108.08885	1.2
109.02910	0.9
109.06484	4.2
109.10136	58.5
110.10474	1.3
111.04440	2.9
111.08065	7.7
115.05420	0.9
116.04707	1.8
117.06998	9.9
119.08557	9.8
121.06495	3.0
121.10123	12.8
123.08042	3.6
123.11693	4.4
125.09608	14.5
127.03911	2.2
129.05461	6.4
129.07013	3.1
131.08542	10.4
131.09424	0.8
133.06523	0.8
133.10109	15.7
135.08041	3.6
135.11662	12.2
137.09604	3.4
139.11165	0.9
143.07053	1.4
143.10675	2.5
145.04913	1.1
145.06493	0.9
145.10086	6.5
147.08122	1.2
147.11658	5.8
149.09616	1.9
149.13231	15.0
151.11194	1.9
153.12758	3.6
155.08582	1.1
155.10617	4.0
157.08846	0.7
157.10152	2.5
159.11668	11.0
163.11147	10.0
165.12740	4.0
173.04462	0.9
173.09595	1.9
173.11711	16.8
175.11217	1.5
177.12668	3.8
181.12187	3.6
184.07382	2.0
185.11624	1.3
189.11252	1.7
191.10674	4.2
193.12193	6.7
195.13785	17.0
199.13266	6.7
209.11722	8.1
211.13283	4.1
213.14919	3.3
219.75645	0.8
227.12721	10.6
229.14311	61.6
230.14717	1.6
239.16298	3.7
241.14401	1.1
249.14935	1.2
257.13867	2.4
265.14297	0.9
267.15869	11.4
267.18402	0.9
269.17444	66.1
270.17960	2.5
283.15323	7.3
285.16995	1.3
295.19012	1.1
297.17145	1.2
301.16397	19.6
313.16635	1.3
323.18457	1.8
333.61603	0.8
357.24289	1.6
385.23694	1.1
393.26410	2.8
411.27341	5.9
423.27350	43.2
424.27805	1.6
431.28064	3.3
449.29065	1.4
457.17880	0.7
459.27557	1.4
477.28455	4.8
482.26013	0.8
495.29446	84.3
496.29767	3.8
513.30524	32.8
514.30981	1.6
693.32483	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	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.01863	10.6
55.05231	1.7
55.05502	28.8
57.03427	20.5
57.07064	3.6
59.04993	1.9
61.02924	7.4
61.47871	0.8
65.03932	3.3
67.05496	74.0
69.03423	9.4
69.07054	19.6
71.01339	1.6
71.04975	6.1
71.25545	1.8
73.02897	5.0
77.95638	0.8
79.05483	47.3
80.05815	1.0
81.03407	20.2
81.07045	79.8
82.04192	3.3
82.07359	1.3
83.04970	17.5
83.08611	23.7
84.02104	1.3
85.02898	9.4
85.06519	4.4
86.09715	1.4
91.03952	2.9
91.05467	32.3
92.72129	0.8
93.07032	51.9
95.04950	18.1
95.08591	22.4
97.02883	8.0
97.06516	14.7
97.10159	14.4
98.07304	3.9
99.04445	3.7
99.08083	3.5
101.06000	1.2
105.07008	12.6
107.04946	6.4
107.08581	34.4
109.02907	2.0
109.06507	6.8
109.10145	15.5
111.04408	3.0
111.08074	8.5
111.69460	0.9
113.06013	1.6
116.04679	6.8
117.07008	11.2
119.08587	10.6
121.06487	4.0
121.10135	17.8
123.08056	5.7
123.11696	3.7
125.09595	15.4
127.03902	3.0
127.11197	1.2
129.05450	19.3
129.06898	4.5
131.08566	11.3
133.10109	17.3
135.08051	4.2
135.11674	14.0
137.09602	2.1
139.07520	1.2
143.07085	4.6
143.10695	2.3
145.09149	1.1
145.10147	6.0
147.08034	2.0
147.11681	6.7
149.09593	4.0
149.13232	24.6
151.11172	2.1
153.09135	2.1
153.12741	2.5
155.08545	1.5
155.10658	1.0
157.08597	11.2
157.10121	2.7
158.05740	2.0
159.11670	13.7
161.09546	1.1
163.11150	8.5
165.12724	1.9
166.77856	0.9
167.14310	1.3
171.06554	2.5
171.10097	2.3
173.09621	2.1
173.11743	5.8
173.13022	1.4
175.11179	3.4
177.12703	6.6
181.12256	1.0
181.63718	1.0
184.07301	4.6
189.11189	3.9
191.10631	2.6
193.12225	7.4
195.13774	18.1
195.15395	1.6
199.13283	16.0
200.13960	2.0
209.11693	7.6
210.12355	1.6
211.13194	5.9
213.14848	3.2
217.14360	2.3
227.12750	10.1
229.14366	3.7
239.65784	0.9
240.09351	1.0
255.15886	2.1
265.14517	1.6
267.15826	10.8
267.78790	1.0
269.17435	74.9
270.17862	3.2
283.15381	16.5
284.16171	1.2
285.16910	3.8
301.16425	51.7
302.16806	2.2
323.18451	3.0
325.23874	1.1
373.18344	1.0
393.26331	7.0
411.27359	13.5
412.27469	1.9
413.21722	3.5
423.27338	35.3
424.27808	2.7
440.60126	1.2
449.28784	1.2
459.27301	4.2
461.28995	7.1
477.28412	24.3
478.29172	7.5
495.29462	100.0
496.29538	5.9
513.31049	1.4
621.32922	4.4
632.18683	1.0
639.33636	6.5
708.02911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01851	1.9
55.05268	1.3
55.05506	14.4
57.03430	13.6
57.07064	1.1
59.12233	0.7
61.02916	3.6
65.03932	1.3
67.05496	23.1
69.03419	4.2
69.07053	6.9
69.65833	6.6
69.66138	0.9
71.04970	4.3
73.02889	1.1
74.15646	0.7
74.36784	0.8
79.05481	23.9
81.03407	70.1
81.07045	25.2
83.04973	17.7
83.08609	26.3
85.02382	1.7
85.02895	30.0
85.06524	2.6
91.03949	1.8
91.05470	32.2
91.06044	1.8
93.07032	16.3
95.04954	32.6
95.08587	11.0
97.02884	4.3
97.06525	4.6
97.10158	4.2
97.92732	0.8
99.04428	1.1
99.08109	1.5
105.07016	23.9
107.04959	6.2
107.08583	8.1
109.06509	5.8
109.10152	2.6
111.04442	2.1
111.08071	10.9
113.05975	2.5
115.05443	1.7
117.06979	1.9
119.08561	22.0
121.06540	1.3
121.10123	9.0
123.08031	2.9
123.11694	1.2
125.09621	1.7
129.06993	12.3
131.08574	12.2
133.06505	4.7
133.10117	12.6
137.09642	1.7
142.07748	3.7
145.10132	1.3
147.08032	4.9
147.11671	18.6
149.09552	7.5
157.10109	16.6
165.12708	2.6
171.59486	0.8
175.11169	16.5
193.12219	54.6
194.12634	1.2
196.81853	0.9
211.13266	100.0
212.13628	2.6
249.14896	1.2
267.15897	37.7
268.16238	1.2
285.16928	97.0
286.17368	3.3
367.22629	3.4
385.23779	4.8
403.24933	1.3
433.25916	1.7
441.26004	1.1
453.38251	0.9
459.27359	26.3
460.27304	2.2
477.28421	31.1
478.28729	2.1
495.29483	86.4
496.29639	6.0
589.88135	1.0
611.08429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66158	0.2
55.05496	0.3
57.07069	1.3
59.06150	0.3
70.17461	0.3
70.25510	0.2
71.41280	0.7
81.07057	0.5
89.26504	0.2
90.83442	0.3
93.07025	0.4
105.07085	0.3
107.08628	0.3
121.10118	0.3
135.11749	0.3
138.39799	0.3
165.05490	0.3
184.07256	0.3
205.08636	0.5
223.09673	0.7
233.10805	0.3
247.05467	0.3
276.44022	0.3
401.17606	0.6
402.18338	0.5
403.19214	1.0
404.19928	0.7
405.20700	1.0
415.19443	0.6
416.19986	0.7
417.21143	4.1
418.21426	1.1
419.22232	2.4
429.16434	0.6
429.20941	0.9
430.16891	1.4
430.22699	0.4
431.18542	2.8
431.22687	2.1
432.19196	1.4
432.23401	1.4
433.24319	1.8
443.18787	1.0
444.19000	2.2
445.20038	12.7
446.20465	1.8
447.22073	1.7
457.20004	0.9
458.20941	1.8
459.21738	8.4
460.22488	8.2
461.23178	3.2
471.21759	0.4
473.18951	0.8
473.24149	0.8
477.22720	1.4
487.21439	1.1
488.21445	1.5
489.22751	0.6
491.25049	0.6
492.25348	0.5
501.23090	0.5
503.24374	0.6
505.22513	1.1
515.24310	1.2
516.25067	0.4
517.22742	0.8
518.22961	0.5
519.23199	1.3
531.23523	2.9
532.24005	0.6
533.25458	0.8
543.27258	0.4
544.28302	0.5
545.22498	0.5
545.29706	0.4
546.25970	2.0
547.26978	13.8
548.27399	1.0
549.24396	0.3
559.23376	0.5
563.26416	0.6
574.25952	0.6
575.26642	1.0
577.24500	1.7
578.25641	0.5
591.25726	1.8
603.31415	1.0
605.23560	5.3
606.28503	1.8
607.29065	2.7
619.25372	0.4
631.32806	8.0
632.33160	1.1
647.29230	0.4
691.34790	100.0
692.35144	8.5
692.44598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
57.07050	2.0
67.05497	1.9
69.07068	1.8
71.81215	1.6
79.05466	1.6
81.07059	1.1
84.81622	1.0
86.79961	0.9
89.05060	1.0
91.05499	1.6
91.09612	0.9
92.72080	1.0
93.07038	1.5
95.04942	1.1
95.08570	1.4
104.51102	0.9
107.08562	1.0
109.10098	1.3
126.51644	1.1
168.51892	0.9
184.90678	1.0
371.24451	0.9
389.17548	1.1
402.18256	1.6
403.19290	3.8
404.20157	2.1
405.21036	1.0
411.15414	1.0
415.15021	2.2
416.15897	2.0
416.20776	1.3
417.21222	5.7
418.21732	2.7
419.22382	3.0
429.17133	4.3
430.17450	8.6
431.17682	7.9
431.23065	3.3
432.23041	4.2
433.24142	1.6
443.18835	4.1
444.19104	6.2
445.20004	14.2
446.20834	1.7
457.20212	2.8
458.20959	4.9
459.21799	21.3
460.22531	18.9
461.23523	5.0
471.17365	1.4
472.22467	1.3
473.23254	1.3
473.46030	1.0
487.21228	1.7
489.22678	1.1
491.24640	2.3
503.24634	1.3
505.24329	1.1
506.44174	1.0
517.22491	4.4
519.23700	2.5
519.40582	5.6
531.23816	7.8
545.23718	1.2
546.26172	10.4
547.27057	15.6
559.23529	1.3
563.26697	1.3
577.24365	8.9
591.25867	12.8
605.27576	2.9
606.28284	64.5
607.28918	7.0
678.53918	1.1
691.34772	100.0
692.35260	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	691.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00623	0.3
52.60350	0.3
55.05508	0.6
57.07070	0.3
67.05498	1.0
69.07056	0.9
79.05489	0.8
81.07035	1.4
83.04989	0.5
83.08591	0.4
86.09683	0.4
91.05479	0.9
92.63303	0.3
93.07033	0.9
94.06590	0.3
95.08598	0.7
97.10165	0.5
98.20770	0.7
98.98476	0.5
105.07033	0.6
107.04967	0.3
107.08598	0.6
109.06466	0.3
109.10136	0.4
119.08575	0.6
121.10151	0.6
131.08533	0.5
135.11639	0.6
184.07306	2.2
189.53214	0.3
211.02655	0.4
237.10251	0.3
249.10315	0.6
251.24890	0.3
385.84705	0.4
387.15851	0.6
389.17621	0.7
390.18509	0.4
401.17599	0.7
402.18839	0.4
403.14569	0.4
403.19235	4.2
404.19989	0.6
405.20737	2.2
415.14984	0.4
415.19604	0.5
416.15790	0.5
416.20670	0.5
417.16565	1.2
417.21500	4.2
418.21893	2.5
419.22363	2.6
429.16907	1.0
429.21591	0.5
430.17331	1.6
431.18369	8.4
432.19485	1.1
433.20349	1.0
441.16779	0.5
443.18832	1.4
444.19620	2.2
445.20230	10.3
446.20923	6.9
447.21658	2.4
457.20023	0.9
458.21317	0.6
459.18234	1.5
459.23376	0.4
461.19928	1.2
463.21246	1.1
473.18900	2.2
474.20163	2.6
475.21585	0.7
477.23102	0.5
487.21384	1.0
489.22641	0.4
491.24158	0.5
493.38943	0.6
501.18671	0.5
501.23492	0.5
502.19757	0.9
503.20050	0.6
505.22534	0.7
516.25012	0.5
517.22546	1.3
517.26703	0.6
519.23755	0.5
519.39746	0.7
531.24353	1.8
532.24756	1.7
533.25531	7.5
534.25659	0.5
543.23175	0.3
545.21082	0.4
549.24945	0.6
557.24115	0.3
559.22119	0.4
560.24139	1.5
561.24823	2.8
562.09058	0.4
564.23944	0.6
573.21777	0.4
575.30005	1.4
577.24371	0.9
591.23303	1.0
592.26727	0.5
593.27100	1.7
603.29572	8.5
603.39185	0.5
604.30597	0.5
619.22699	0.5
621.27209	0.5
631.29095	5.3
632.29816	0.7
648.25031	0.5
659.28619	0.4
663.31628	4.3
664.32745	0.4
691.31171	100.0
692.31427	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	690.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03930	2.1
53.43854	0.4
55.01876	2.7
55.05505	9.5
57.03432	8.9
61.02911	1.8
65.03905	0.7
67.05497	14.3
69.03416	2.9
69.07057	5.8
71.04980	3.4
71.26069	0.6
71.26418	1.0
73.02898	1.4
73.72791	0.4
77.03889	0.6
79.05480	22.8
81.03407	32.6
81.07045	21.0
81.07532	0.6
82.03753	0.6
83.04967	9.9
83.08604	16.7
85.02892	13.0
85.06541	1.1
91.03942	0.6
91.05465	16.7
91.06035	0.8
93.03404	0.4
93.07033	29.2
95.04959	15.6
95.08593	27.6
97.02883	4.4
97.06522	4.0
97.10162	2.0
98.07220	0.5
98.21632	0.4
99.04467	2.8
99.08064	0.9
101.01983	0.5
103.05426	0.8
105.07015	13.3
107.04937	7.7
107.08580	20.2
109.06505	4.3
109.10137	2.3
111.04428	2.7
111.08067	5.3
113.05986	1.6
115.05461	0.7
117.07013	6.6
119.04987	0.6
119.08566	15.3
119.09408	0.9
121.06498	5.0
121.10129	11.9
123.08041	1.9
123.11694	1.0
125.05997	2.1
125.09666	0.8
127.03923	0.5
127.07557	0.6
129.07001	5.0
130.07738	1.2
131.08565	5.4
133.06488	1.9
133.09148	0.8
133.10114	7.6
135.08037	1.7
135.11678	35.3
137.09659	1.1
139.07515	1.1
142.07767	1.4
143.08478	0.5
145.06540	0.5
145.10110	21.1
147.07997	1.5
147.11667	7.3
149.09601	4.3
153.12735	1.4
157.10117	7.8
163.11162	43.7
164.11513	0.9
165.12746	1.6
173.09628	0.9
175.11171	7.5
181.12187	8.4
193.12219	21.1
209.06216	0.5
209.11780	1.4
211.11183	0.9
211.13268	27.5
227.12755	49.3
228.13152	0.8
249.14833	0.6
267.15887	25.0
277.54544	0.4
283.15372	57.5
284.15778	1.0
285.16934	45.0
286.17377	1.0
475.26862	29.8
476.27148	0.9
493.27911	100.0
494.28223	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	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26850	0.5
53.03931	1.5
55.01859	5.0
55.05506	11.4
55.82963	0.5
55.85411	0.5
57.03434	10.0
59.04975	1.8
61.02918	3.1
64.45367	0.6
65.03949	0.5
67.05500	13.9
68.85455	0.5
69.03440	2.9
69.07054	4.9
70.70598	1.1
70.70992	1.1
71.01330	0.8
71.04987	4.2
73.02892	1.0
75.48445	0.5
77.03921	0.7
79.05024	1.1
79.05486	18.7
81.03408	39.0
81.07049	19.7
81.07404	0.3
81.07537	0.5
81.56460	0.5
83.01336	3.7
83.04975	11.7
83.08616	16.8
85.02894	14.3
85.06522	1.9
86.29641	0.5
88.14205	0.6
91.03941	1.8
91.05470	18.2
93.07034	18.4
95.04960	14.7
95.05573	0.6
95.08598	7.5
97.02877	4.3
97.06528	4.0
97.10130	2.5
98.20730	0.7
99.04427	0.9
99.08086	1.2
105.07027	12.6
107.04940	7.8
107.08589	10.5
109.06512	5.1
109.10130	2.0
111.04432	2.5
111.08057	6.1
113.06012	1.1
115.05460	0.8
117.07010	4.7
119.08566	11.6
121.06488	2.4
121.10130	8.8
123.08051	4.9
123.11720	1.2
124.66109	0.5
125.05985	1.2
125.09630	1.4
127.03931	0.8
129.06990	5.2
130.07816	0.6
131.08554	6.7
133.06483	1.0
133.10107	6.5
135.08066	1.0
135.11678	7.1
137.09621	2.2
142.07770	1.6
145.06473	0.6
145.10104	9.3
147.08026	2.6
147.11670	8.5
149.09590	4.3
153.12720	2.1
155.08617	1.0
157.10117	6.8
163.11174	12.7
165.12706	1.8
172.44855	0.6
173.09615	1.6
175.11156	7.0
181.12193	0.9
191.10626	1.2
193.12219	23.3
209.11649	3.1
211.13284	42.3
227.12823	2.6
265.14212	1.1
267.15909	10.0
283.15381	46.3
284.15659	0.9
285.16934	31.0
286.17191	0.7
299.96548	0.6
353.15778	0.5
383.22183	2.9
401.23279	1.1
457.25977	3.7
475.26862	15.3
475.33301	1.1
476.27225	0.8
493.27924	100.0
494.28186	3.9
579.74823	0.7
596.85980	0.8
631.14789	0.5
716.99060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.9
53.03942	8.6
53.20889	1.0
54.98651	1.1
55.01859	7.9
55.05502	32.7
57.03427	13.2
57.07052	3.2
61.02906	1.9
65.03928	4.8
67.05492	77.4
68.05796	1.1
68.60588	0.9
69.03419	31.4
69.07057	23.0
71.01315	1.4
71.04982	9.7
73.02904	1.8
74.20202	1.1
79.05479	68.3
81.03403	100.0
81.07043	80.2
83.04963	20.7
83.08604	23.5
85.02893	22.6
85.06522	3.5
86.63022	1.1
88.44359	1.0
91.05460	62.2
93.07029	63.5
95.01308	1.8
95.04953	41.2
95.08591	43.9
97.02882	22.0
97.06516	8.7
97.10150	6.6
99.04438	6.9
99.08085	2.0
103.03946	2.4
103.05455	2.1
105.07014	44.9
107.04932	11.0
107.08579	33.4
107.09313	1.2
109.02857	16.8
109.06506	9.9
109.10138	16.4
111.04426	13.0
111.08050	8.5
113.05983	2.6
115.05504	2.6
117.06997	20.5
119.04913	1.9
119.08562	35.5
119.09404	2.1
121.06491	7.4
121.10129	26.8
123.04408	7.6
123.08034	5.2
123.11662	7.2
125.09596	5.3
127.03880	10.9
128.06207	3.4
129.05508	2.7
129.06982	17.7
131.04897	2.3
131.08554	28.7
133.06448	7.1
133.10115	24.8
133.11121	1.4
135.08060	5.4
135.11668	17.1
137.09619	3.6
137.13246	1.1
141.06981	3.9
142.07756	4.8
143.07420	1.9
143.08528	12.4
145.06468	4.2
145.10095	22.6
147.04329	2.2
147.08051	7.8
147.11665	26.6
149.05995	1.3
149.09628	6.6
149.13271	8.3
151.11191	1.6
153.06972	1.5
153.12720	2.0
155.07317	0.9
155.08516	6.7
156.09288	1.3
157.06500	2.3
157.10086	19.2
159.08038	3.4
159.11671	14.0
161.05916	1.8
161.09631	3.9
161.13254	8.4
163.11212	7.7
163.14868	1.6
165.07007	1.9
165.12740	7.5
167.08578	2.2
169.10072	7.6
171.08058	2.4
171.11681	8.6
173.04446	8.2
173.05838	2.3
173.09621	4.1
173.13206	9.2
175.11165	11.8
175.14821	4.4
177.12718	2.5
179.08449	1.8
179.10632	1.4
181.10109	2.4
181.12206	3.6
183.11633	6.1
184.07251	2.2
185.09662	3.2
185.13197	6.7
187.11168	3.4
187.14838	4.0
189.11226	2.8
189.12767	3.1
191.10660	5.4
193.10268	1.9
193.12206	31.5
195.07988	1.3
195.11681	4.1
197.13254	4.1
199.11115	2.4
199.14766	4.1
201.12613	2.1
203.10529	1.3
205.10275	1.2
205.12195	1.9
207.11720	1.1
209.13312	3.5
211.11279	2.1
211.13240	47.0
213.14844	1.4
215.14348	2.2
217.12332	1.4
221.13359	2.1
223.11270	1.4
223.14891	2.1
225.12671	1.4
227.12785	4.0
229.14330	2.7
231.13907	1.3
235.13142	6.6
237.16364	1.5
241.19531	1.5
243.13780	1.8
243.21074	1.3
245.15451	1.7
249.14780	1.6
257.19208	1.4
259.13129	2.3
259.20605	3.2
261.22076	6.1
267.15964	12.7
269.17599	1.3
271.16299	1.1
273.14841	4.4
275.20145	1.2
277.21686	2.0
285.16837	8.8
301.14420	4.9
301.21609	3.3
303.23254	1.5
306.45856	1.4
309.22180	1.4
313.21558	1.5
315.23135	1.7
317.24716	2.4
319.15314	3.0
319.22757	2.0
323.23724	2.0
325.21997	2.0
327.23239	2.7
333.24600	1.5
335.25827	20.5
337.16504	5.1
341.24780	3.0
345.24316	1.4
351.23074	6.6
353.24747	1.8
355.17410	5.6
369.24176	8.4
371.25549	1.7
375.17978	2.8
387.25131	5.8
393.18939	3.0
405.26282	2.6
411.20233	7.1
425.26566	1.2
435.32574	2.6
443.27829	5.4
453.33667	2.3
461.28760	5.3
479.29541	1.7
509.35846	1.7
527.37238	22.1
529.38824	1.3
543.36536	2.5
545.38086	8.5
561.36084	1.6
569.38336	3.7
611.39716	1.7
635.39337	4.3
641.40161	1.6
653.40247	10.4
671.41412	15.5
689.42438	76.3
690.43243	5.5
719.29327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03936	9.6
55.01858	7.1
55.05503	30.1
56.27100	0.9
56.84600	0.9
57.03421	12.4
57.07058	2.9
59.04997	1.1
59.48565	0.8
61.02908	2.0
65.03937	4.6
67.05494	72.8
69.03421	28.7
69.07059	20.1
71.04983	11.3
71.74079	0.8
73.02919	1.7
73.68976	0.9
77.03938	1.2
79.04797	1.5
79.05482	66.3
81.03406	100.0
81.07043	80.9
82.03738	2.0
82.07381	1.0
82.17995	1.0
83.04965	23.9
83.08606	22.3
85.02888	18.5
85.06543	3.0
91.05464	58.8
92.05800	1.2
93.07028	67.6
95.04960	29.6
95.08593	44.9
97.02875	25.7
97.06525	7.5
97.10163	7.1
99.04436	8.0
99.08093	2.6
101.02378	1.1
103.05473	1.8
105.04521	1.7
105.07017	46.3
107.04951	9.8
107.08578	33.1
109.02863	17.2
109.06516	8.2
109.10137	19.5
110.10536	1.0
111.04427	12.7
111.08057	12.0
113.05962	1.2
115.05447	4.1
117.06986	19.6
117.07774	1.2
119.08565	38.0
119.09406	2.1
121.06500	5.3
121.10126	25.4
123.04416	2.6
123.08041	5.4
123.11669	6.7
125.09598	4.3
127.03891	14.9
127.07570	1.1
128.06204	3.3
129.05490	3.8
129.06973	18.5
129.07837	1.4
130.07823	1.2
131.04938	2.6
131.08540	30.3
132.28256	0.9
133.06468	4.6
133.10107	23.5
135.04385	1.5
135.08026	3.9
135.11670	16.8
135.12662	1.5
137.05991	2.0
137.09599	3.3
141.06940	4.6
142.07817	4.3
143.08521	9.7
145.06485	3.0
145.10100	18.6
147.04451	1.4
147.08031	4.9
147.11664	28.1
149.05989	0.9
149.09583	6.7
149.13214	6.3
151.11203	1.4
153.06898	1.1
153.12721	2.3
155.08511	5.2
156.09320	1.2
157.06487	1.3
157.10101	18.6
159.08044	2.2
159.11678	11.2
161.05952	1.4
161.09625	2.9
161.13193	4.6
163.11172	5.7
163.14839	2.2
165.12733	5.9
166.07814	1.0
167.08574	1.8
169.10078	6.9
171.08040	1.8
171.11647	10.0
173.04457	8.3
173.09634	1.9
173.13219	9.0
175.11166	12.1
175.14867	3.2
177.12671	1.0
179.08572	1.6
180.09148	0.9
181.10146	4.2
181.12242	3.5
183.11673	7.0
184.07352	1.2
185.09641	2.5
185.13206	6.6
187.11104	1.2
187.14871	4.0
189.11261	1.4
189.12816	2.9
191.10631	5.1
193.12204	38.6
195.11780	2.2
195.13802	1.5
197.09711	0.9
197.13313	4.5
199.11180	2.9
199.14856	3.7
201.12834	1.4
201.16341	1.6
203.14236	1.5
207.11821	1.3
207.13731	1.0
209.13303	2.8
211.13245	52.6
212.13597	1.7
213.12834	1.7
213.16510	1.1
215.14453	1.0
223.14883	2.6
225.12888	1.3
227.12727	3.9
229.14409	2.6
229.48466	1.2
237.12733	1.3
241.19545	2.2
243.21127	2.5
249.14796	2.3
255.13882	1.4
259.20609	3.5
261.22034	6.1
265.14417	1.7
267.15811	9.3
269.17618	2.0
271.20480	1.9
273.14944	2.6
273.18536	1.3
275.20108	1.7
277.21738	1.5
279.15973	1.2
283.15454	2.0
285.16843	9.1
285.21909	1.0
297.21912	1.2
299.20270	1.3
301.14294	1.7
301.21667	3.9
315.23444	1.1
317.24670	2.6
319.22958	1.5
323.23761	1.0
333.24530	2.0
335.25784	19.5
337.16397	3.6
339.18201	1.1
339.23346	2.0
341.24838	2.7
345.24567	1.1
351.23163	4.0
352.23370	0.9
355.17361	6.9
357.23987	1.3
363.25330	1.3
369.24249	9.1
371.25833	1.5
387.25363	3.8
393.18909	2.1
405.26331	3.0
411.20081	6.3
413.21674	1.3
433.29675	0.9
435.32684	3.0
443.27994	3.2
453.33594	1.9
461.29123	6.4
471.34399	1.3
479.29718	1.6
509.36597	1.6
527.37268	20.8
528.37830	2.3
530.39642	1.0
543.36359	1.9
545.38184	12.1
569.38641	1.4
573.37231	1.0
617.38824	1.2
635.39600	2.6
641.42023	1.0
653.40411	7.9
655.06464	0.9
671.41528	10.9
689.42468	97.1
690.43188	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	689.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83780	1.0
51.54527	1.1
52.84421	1.0
53.03938	10.6
55.01862	6.9
55.05503	28.6
57.03431	14.0
57.07063	3.2
59.04980	2.4
61.02903	1.7
64.92285	1.0
65.03928	4.1
67.05496	72.1
68.05833	1.1
69.03421	38.2
69.07060	20.3
70.04357	1.2
70.13192	5.5
71.04984	11.7
73.02906	2.0
77.03913	2.1
77.46025	1.2
79.05016	2.3
79.05485	69.8
81.03407	100.0
81.07046	74.9
82.07384	1.2
83.04968	23.4
83.08611	25.0
84.64043	1.1
85.02901	18.5
85.06540	4.8
87.04423	1.7
91.05468	61.1
92.05847	1.2
93.07034	70.4
95.04505	0.9
95.04961	34.4
95.08593	40.6
95.84566	1.1
97.02879	19.5
97.03456	1.6
97.06532	8.3
97.10149	6.5
99.04463	7.1
99.08076	2.6
103.03905	1.2
103.05439	1.4
105.04523	1.6
105.07017	46.0
107.04948	10.6
107.08582	37.9
107.09325	1.7
109.02863	18.2
109.06506	7.8
109.10137	17.0
111.04438	15.1
111.08057	11.3
113.05960	3.6
115.05450	4.1
117.07006	17.2
118.66647	1.0
119.04895	1.3
119.08560	36.0
121.06472	5.5
121.10129	28.6
123.04438	3.1
123.08057	5.5
123.11663	6.0
125.05972	1.2
125.09628	3.2
127.03912	13.3
128.06247	3.1
129.05478	3.4
129.06989	18.5
130.07858	1.3
131.04877	1.8
131.08546	29.2
133.06467	5.6
133.10110	21.3
135.08064	3.0
135.11676	15.9
137.05994	1.6
137.09615	4.1
141.07008	3.1
142.07797	2.6
143.08551	8.9
143.43198	1.1
145.06490	4.8
145.10112	20.6
147.08047	4.9
147.11665	28.8
149.09615	8.4
149.13252	6.7
151.11218	1.5
153.12738	2.4
155.08569	4.5
157.06543	2.8
157.10117	20.2
159.08069	2.2
159.11667	10.5
161.05988	1.6
161.09604	2.5
161.13187	6.4
163.11136	7.3
165.12718	6.8
167.08583	2.0
169.10104	5.5
171.08002	2.8
171.11684	6.6
173.04439	5.7
173.09656	3.3
173.13235	6.3
175.11171	14.6
175.14854	1.6
177.12740	1.9
181.10220	2.8
181.12216	5.3
183.06554	1.4
183.11671	5.6
184.07346	1.8
185.13268	4.6
186.35974	1.4
187.11217	2.3
187.14886	3.1
189.11139	1.2
189.12730	1.5
189.16446	1.4
191.10635	3.5
193.12221	40.3
195.11739	2.1
195.13689	1.3
197.13243	2.8
199.11232	2.1
199.14891	3.3
201.12726	1.7
201.16368	1.5
207.11752	1.6
207.13785	1.4
209.11583	1.3
209.13339	2.0
211.11349	2.1
211.13254	61.9
212.13660	1.8
215.14336	1.6
217.12357	2.1
221.15269	1.4
223.14900	1.6
225.12785	2.4
227.12845	3.7
235.13260	2.0
237.16393	1.8
243.21155	2.0
249.14795	2.8
255.13626	1.3
259.20547	2.6
261.22083	5.7
267.15820	10.0
273.14828	1.3
277.21719	1.6
283.15436	1.9
283.20557	2.1
285.16876	11.1
289.21652	1.5
301.14154	1.2
301.21710	3.9
309.22205	1.4
313.16733	2.2
317.24911	1.7
319.23022	1.3
323.23874	1.3
335.25732	16.2
337.16397	2.6
339.23242	1.4
345.24207	1.9
351.23380	4.4
355.17349	8.0
369.24149	10.3
387.25378	5.0
393.19257	1.2
405.26639	3.2
411.20093	6.8
425.26907	1.7
435.32803	2.0
443.28067	5.9
453.33539	2.2
461.29016	5.2
479.29840	2.0
527.37268	16.8
545.38403	10.7
615.39008	1.4
635.39142	1.6
653.40277	8.1
671.41241	8.8
689.42523	88.6
690.42340	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	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01863	6.6
55.05505	31.3
56.99314	1.4
57.03439	12.9
57.07061	5.9
58.68082	1.5
60.08152	6.1
61.02913	10.7
65.03934	4.0
67.05496	74.5
68.05833	2.7
69.03421	26.3
69.07062	26.2
69.59488	6.4
69.59926	8.4
71.01337	1.8
71.04985	10.4
71.07356	2.3
71.08629	1.9
73.02918	7.8
79.05014	3.0
79.05481	58.3
80.05853	1.7
81.02929	3.6
81.03407	65.1
81.07045	84.0
82.03713	2.6
82.07378	2.1
83.04963	21.2
83.08601	16.1
85.02904	16.1
85.06552	4.0
86.09700	28.6
87.10054	4.7
91.03951	3.2
91.05467	62.0
93.07031	63.2
95.04951	16.1
95.08591	43.2
96.08884	2.0
97.02876	24.8
97.06510	12.5
97.10155	6.6
98.20631	2.9
98.98463	3.6
99.04442	8.4
99.08065	2.1
103.05483	2.2
105.07018	54.3
106.07351	2.1
107.04947	5.0
107.08578	34.5
109.02853	9.3
109.06492	7.0
109.10151	20.9
111.04424	6.2
111.08092	4.5
115.05450	3.1
116.28430	1.5
117.06999	28.5
119.08568	40.1
121.06494	5.5
121.10136	26.1
123.08077	6.4
123.11677	9.0
124.99990	18.8
125.09645	3.7
127.01653	1.6
127.03882	10.4
127.07618	1.6
128.06213	4.4
129.05484	8.5
129.06982	20.7
130.07816	2.9
131.08560	39.1
133.06509	5.5
133.10115	25.0
135.08070	6.4
135.11650	14.9
137.09625	4.5
139.11203	2.3
141.06937	8.1
142.07751	4.9
143.08530	20.5
145.06470	3.8
145.10115	27.9
147.08105	3.3
147.11664	30.1
148.12039	1.9
149.09633	5.3
149.13199	9.9
151.11169	3.4
154.07779	2.3
155.08530	17.3
157.10118	22.9
159.08095	3.8
159.11665	22.8
161.09566	3.3
161.13251	11.3
163.11160	5.0
163.14925	1.9
165.06976	2.1
165.12726	6.8
166.07825	1.8
167.08580	7.1
168.09378	2.0
169.10112	18.4
171.11656	20.9
173.04427	19.8
173.09709	2.1
173.13251	15.0
175.11223	4.7
175.14832	5.7
177.12772	5.6
179.08488	1.9
180.09152	1.7
181.06372	1.8
181.10109	9.9
183.11671	17.9
184.07321	87.2
185.07698	12.9
185.09470	3.2
185.13205	11.6
187.11188	3.1
187.14828	6.2
189.12805	2.2
191.10654	1.8
193.10172	4.5
193.12180	3.0
195.11684	8.3
195.13751	4.7
196.12352	2.0
197.09608	2.3
197.13242	12.5
199.14838	5.4
201.12729	2.0
201.16364	2.6
207.11760	2.9
209.13271	8.1
211.14815	6.6
213.16417	2.7
215.18192	2.8
219.11728	2.4
221.13231	2.3
223.14832	4.8
225.16530	2.3
227.14302	1.9
227.18153	2.0
231.13797	1.8
235.14767	2.3
237.16434	2.4
239.17894	1.6
241.19537	5.8
245.18866	2.2
253.19543	3.1
255.13716	1.9
259.20557	9.6
261.22122	3.3
267.15869	9.3
269.17407	8.3
271.20615	2.7
275.20178	2.1
285.17017	5.3
299.20163	1.8
301.21722	4.3
303.23303	1.7
309.22293	2.1
313.21704	2.0
315.23233	3.4
317.21210	1.7
325.21689	4.3
325.25360	1.9
333.24313	8.0
335.25858	7.3
339.23108	2.6
349.21567	2.7
351.23135	3.0
357.24112	2.1
367.22845	3.5
369.24335	3.1
413.21442	4.2
417.31421	4.3
435.32382	12.8
443.27759	1.7
453.33673	7.3
471.34634	3.9
503.37277	2.0
509.36261	10.0
517.39124	2.7
525.35565	5.1
527.37256	100.0
528.37665	5.9
529.38843	3.6
530.39276	2.4
539.37335	3.7
543.36176	3.3
545.38434	9.7
547.39899	2.4
548.40271	23.0
569.38232	3.9
593.37909	2.5
611.38708	1.8
617.38312	2.9
623.38953	3.5
635.38898	9.9
653.40308	13.3
671.41498	18.9
689.42511	56.8
690.42804	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.51364	0.8
55.01862	2.9
55.05247	0.9
55.05504	13.0
57.03431	7.5
57.07058	1.0
59.04998	1.1
61.02916	0.9
64.76315	0.7
65.03933	2.0
66.50415	0.7
67.05495	32.8
69.03423	3.3
69.07058	9.0
71.04987	4.3
71.77522	0.7
71.77912	1.4
73.02909	1.2
73.06561	1.2
77.03928	0.9
79.05482	42.2
80.05829	1.6
81.03405	34.2
81.07045	33.4
82.07362	0.7
83.04967	12.1
83.08610	15.0
85.02883	9.4
85.06541	2.8
91.05466	41.9
92.05804	1.3
93.07033	43.0
93.88113	0.7
94.07365	1.8
95.04956	24.6
95.08588	19.5
96.08956	1.0
97.02886	3.1
97.06508	5.9
97.10142	4.2
98.74405	0.7
99.04462	1.4
105.04456	0.8
105.07014	29.0
107.04965	6.8
107.08584	16.2
108.08934	1.1
109.02898	0.8
109.06506	7.2
109.10157	6.2
111.04427	2.4
111.08064	5.3
113.06014	1.6
115.05393	1.0
117.06985	6.4
119.08569	19.1
121.06524	3.8
121.10121	8.0
123.08054	4.3
123.11704	1.5
125.09630	2.0
126.53468	0.7
127.03912	0.9
128.06223	0.9
129.06995	14.0
131.08559	7.7
133.06476	2.4
133.10104	13.7
135.08067	2.3
135.11668	4.7
136.12006	1.5
137.09636	1.3
138.34264	0.7
141.06911	0.9
142.07755	1.0
143.08551	5.4
144.75542	0.7
145.06516	1.0
145.10104	9.0
146.08098	1.4
146.10445	1.3
147.08002	3.5
147.11667	25.6
149.09575	4.3
149.13329	0.9
151.11142	2.0
157.10100	7.1
159.11681	1.7
161.09625	3.0
161.13228	6.9
163.11194	6.3
164.11551	1.6
165.12769	1.8
169.10104	0.7
171.11656	15.5
171.13081	0.9
172.12022	1.1
175.11140	6.9
177.12735	1.4
179.14273	0.8
184.07353	2.4
189.12706	6.6
193.12230	17.5
206.73389	0.7
207.13795	14.8
211.13269	19.4
225.14838	1.9
227.12674	3.7
228.13194	1.9
267.15872	23.7
269.17496	1.1
270.04660	1.0
281.17438	51.7
282.17664	3.7
283.15405	4.7
283.17966	1.6
284.15814	1.7
285.16891	16.4
325.37958	0.8
447.27628	1.0
473.28943	74.5
474.29343	1.9
477.28464	2.4
489.28342	3.0
490.28586	4.2
491.29944	100.0
492.30353	3.2
538.54120	0.7
635.34283	2.4
688.40759	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01851	2.5
55.05499	17.9
57.03424	12.6
57.07074	1.1
59.04995	1.0
60.40952	0.7
61.02903	1.0
65.03920	3.1
66.47687	0.8
67.05493	37.0
69.03413	2.5
69.07057	8.6
70.98299	0.9
70.98632	1.7
71.04977	4.4
73.06541	1.1
79.05479	53.1
81.03403	50.5
81.07042	40.3
81.07400	0.6
81.07537	1.4
83.04965	17.5
83.08605	18.1
85.02888	14.8
85.06518	2.9
87.04449	0.8
91.05464	49.1
93.07027	46.8
95.04947	27.1
95.08584	21.6
97.02868	2.6
97.06523	6.8
97.10174	4.1
99.08088	1.7
101.37904	0.8
103.05375	0.9
105.04482	1.1
105.07009	38.1
107.04932	9.7
107.08570	12.8
109.06500	7.7
109.10145	5.3
111.04421	2.2
111.08051	7.9
113.05931	1.7
115.05460	1.6
116.38458	0.6
117.07004	5.1
117.33652	0.7
119.04965	0.7
119.08565	29.2
121.06474	2.7
121.10123	8.8
123.08048	4.9
123.11739	1.0
125.09620	1.4
128.06236	1.4
129.06984	20.3
129.20851	0.8
131.08546	8.2
133.06480	3.0
133.10117	13.8
133.11116	0.7
135.11632	1.6
137.09647	1.0
142.07755	3.0
143.08537	5.1
145.10107	8.2
147.08017	4.1
147.11661	35.2
149.09615	4.2
155.08495	1.1
157.10094	10.8
159.11673	1.3
161.09602	3.2
161.13263	5.2
163.11188	1.6
165.12764	2.3
171.11664	17.8
171.13060	1.4
175.11172	9.9
189.12718	6.8
193.12215	26.9
207.13776	20.8
211.13257	29.5
225.14822	0.9
249.14751	1.3
267.15854	31.8
281.17429	55.4
282.17697	1.6
285.16919	33.4
447.27271	0.9
473.28928	100.0
474.29199	2.8
491.29959	73.8
492.30136	2.1
719.69012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03937	1.4
53.04130	0.2
55.01637	0.3
55.01867	4.8
55.05501	9.7
57.03428	7.2
57.07045	0.7
59.04994	2.3
60.42065	0.2
61.02654	0.2
61.02914	2.8
64.48314	0.2
65.03913	0.7
66.13412	0.2
67.05493	8.4
69.03405	1.4
69.07059	2.8
69.56356	0.2
70.37596	0.5
70.38013	0.8
71.01326	0.8
71.04979	2.8
71.08598	0.3
73.02875	1.1
77.63825	0.2
79.05482	12.7
81.02934	0.4
81.03402	7.7
81.07043	12.8
83.00845	0.4
83.01325	6.5
83.04966	7.7
83.08604	7.8
85.02892	5.7
85.06501	0.7
86.09695	0.4
91.03957	1.2
91.05461	8.9
93.07025	17.4
94.07375	0.5
95.04957	5.2
95.08595	5.3
97.02872	3.1
97.06513	2.5
97.10143	1.5
99.04445	2.2
103.05423	0.4
105.06315	0.4
105.07011	6.1
107.04939	6.1
107.08574	8.5
109.02846	0.5
109.05828	0.4
109.06503	5.6
109.10133	1.9
111.04432	2.0
111.08092	1.3
113.05984	0.3
117.06264	0.4
117.07004	5.1
119.08560	6.1
121.06486	2.4
121.10125	5.5
123.04397	0.8
123.08047	6.8
123.11665	0.3
125.05959	1.2
125.09589	0.9
127.03922	0.6
129.06967	1.0
130.07738	0.8
131.04904	0.6
131.08554	2.5
133.10110	1.9
135.08009	1.8
135.11670	8.4
137.09593	1.4
139.07524	0.4
143.08510	0.9
145.06433	0.9
145.10101	11.8
147.08049	1.9
147.11656	1.0
149.05959	0.6
149.09572	0.7
151.11096	0.4
153.12688	1.7
153.59308	0.2
155.08499	1.2
163.11156	18.9
165.09146	0.4
171.08026	0.3
171.11705	0.4
173.09612	2.6
173.94351	0.3
175.11108	0.3
181.12202	2.0
184.07236	0.5
191.10625	2.1
209.11671	4.8
227.12729	3.6
256.60730	0.3
265.14133	0.5
267.15854	0.8
269.04309	0.6
269.26004	0.2
270.04761	0.3
281.17447	1.0
283.15356	100.0
284.15677	2.2
285.03894	0.4
286.04364	0.3
473.29462	0.4
491.26273	49.8
492.26639	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01866	4.5
55.05230	0.5
55.05500	9.3
57.03429	6.6
57.03702	0.6
57.07061	1.0
59.05005	1.8
61.02910	1.5
65.03935	0.4
67.05494	12.8
67.19323	0.4
69.03419	1.3
69.07053	4.2
71.01331	0.9
71.03981	0.3
71.04981	3.0
71.50471	0.3
71.80849	0.6
73.02908	1.8
77.03905	0.6
78.65157	0.3
79.05480	19.1
80.05822	0.8
81.03403	8.1
81.07043	17.0
82.07343	0.5
83.01327	3.7
83.04967	7.3
83.08608	7.5
85.02887	3.8
85.06527	1.3
86.09674	0.7
87.04454	0.5
91.03952	0.7
91.05465	10.7
92.05804	0.5
93.07029	29.2
94.07374	0.8
95.04958	7.7
95.08594	18.1
97.02879	3.8
97.06516	3.8
97.10132	1.9
99.04444	2.7
99.08079	0.5
103.05463	0.7
105.07014	9.0
107.04939	7.2
107.08577	18.2
109.02871	0.8
109.06501	4.4
109.10130	3.3
111.04425	2.6
111.08044	1.5
113.05973	0.6
117.07000	7.0
119.08559	8.8
120.08894	0.4
121.06490	3.6
121.10126	10.4
123.04382	0.8
123.08062	4.6
123.11635	0.4
125.05969	2.2
125.09600	1.2
127.03883	0.9
129.05476	0.6
129.06966	2.6
130.07774	1.0
131.04939	0.5
131.08545	3.1
133.10114	4.5
135.08063	2.1
135.11671	27.5
136.11961	0.5
137.09601	0.8
139.03848	0.5
139.07506	1.4
143.08528	1.2
145.06508	0.7
145.10101	20.9
146.10416	0.6
147.08031	1.2
147.11659	3.4
149.09554	1.7
149.45131	0.4
151.11185	0.7
153.09091	0.4
153.12646	1.7
155.08562	1.0
157.10124	1.7
159.11604	0.9
161.09578	0.4
161.13190	0.6
163.11157	43.4
164.11537	0.9
171.11726	1.0
173.04500	0.4
173.09573	2.1
175.11131	1.7
181.12196	6.5
184.07269	2.1
191.10616	2.1
193.12180	0.6
207.13777	1.0
209.11691	3.3
227.12741	33.7
228.13188	0.6
229.14282	0.7
248.89998	0.4
257.04233	0.7
265.14230	0.7
267.15881	3.4
269.04465	0.5
270.04739	0.5
281.17343	3.5
282.08466	0.4
283.15359	100.0
284.15836	2.0
285.03906	5.0
285.16870	0.9
286.04272	4.2
298.43802	0.4
309.07532	0.6
327.08521	2.3
328.08859	2.5
343.08054	0.4
445.29379	0.8
459.27371	0.9
473.29141	6.0
477.28400	0.6
491.26218	80.1
492.26648	3.6
670.15979	0.6
688.38983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01859	1.2
55.05502	11.5
57.03428	12.7
57.07060	2.5
59.04987	3.3
61.02912	4.4
65.03931	2.3
67.05492	99.5
68.05816	1.2
69.03410	1.6
69.07059	8.1
71.04986	3.8
71.08620	0.9
71.79809	0.8
73.02902	1.5
79.05482	19.5
81.03403	2.2
81.07044	39.8
82.07404	0.8
83.04971	0.9
83.08602	8.8
85.02887	4.5
85.06525	3.2
87.04450	0.7
91.03943	2.6
91.05463	14.7
93.06541	0.4
93.07030	27.1
95.04977	3.6
95.08592	29.3
96.08915	0.7
97.02877	3.4
97.06512	2.1
97.10159	2.0
99.08099	1.2
105.07013	8.1
107.08573	14.5
107.09258	1.0
109.06486	1.7
109.10137	82.9
110.10478	1.3
111.08064	3.1
113.09589	0.8
117.07000	2.8
119.08556	11.1
121.10125	12.3
123.11672	4.2
125.09590	1.7
127.03867	0.9
127.11213	0.7
127.34141	0.7
131.08562	7.1
133.10088	5.9
135.11667	9.6
137.09618	4.4
137.13258	1.2
145.04974	1.0
145.10120	4.5
147.11678	4.1
149.13234	5.4
155.10605	4.9
159.11667	4.5
161.13258	3.2
163.11174	0.7
163.14827	2.4
173.11736	21.8
173.13239	3.8
175.14778	1.4
177.16397	0.8
184.07303	0.8
187.14787	1.0
189.11192	1.2
193.06030	0.6
227.12709	4.7
227.87729	0.6
229.14314	100.0
230.14700	2.3
243.21033	5.9
261.22107	20.9
267.15799	0.8
317.24780	3.7
335.25751	89.1
336.26132	2.8
379.30304	0.8
397.30945	1.6
415.31967	1.0
471.34457	1.7
489.35681	75.4
490.35968	3.0
507.36823	4.4
687.40759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
51.14534	0.3
53.03930	0.8
54.01056	0.2
55.01873	1.3
55.05494	0.5
55.36371	0.3
55.51694	0.3
57.03420	1.1
59.04992	6.1
61.02918	1.6
65.03929	0.6
66.04707	0.4
67.01854	0.3
67.05480	0.8
68.99802	0.4
69.03419	4.2
69.07059	20.5
70.06594	0.2
70.11494	0.2
71.01318	0.3
71.04992	0.6
71.08510	0.5
71.08858	0.3
73.02887	0.8
74.54324	0.2
79.01843	1.2
79.05472	1.1
81.03394	3.2
81.07050	0.6
81.40972	0.3
82.04181	0.3
83.01333	0.3
83.04968	0.5
83.08598	0.3
84.05757	0.4
85.02892	15.1
87.04451	0.5
91.03912	1.0
91.05466	0.9
93.07034	0.8
94.04182	1.2
95.04957	9.9
95.08582	0.5
97.02877	5.0
97.06475	0.4
99.04443	1.1
105.03375	0.3
105.06994	0.7
107.04935	0.9
107.08533	0.3
109.02872	1.9
109.06507	1.3
110.03639	0.4
111.04428	13.6
114.02298	0.3
117.06995	0.6
119.08580	0.6
121.06477	0.3
122.03638	1.5
123.04417	7.7
124.05193	15.2
125.02344	0.3
125.05974	12.2
127.03896	10.9
127.04849	0.4
129.07005	1.0
131.04929	0.4
131.08527	0.6
133.06441	0.6
133.10133	0.5
135.07982	0.3
137.05957	10.8
138.03122	1.2
139.03879	77.8
140.04498	1.2
141.05444	1.6
145.04955	3.6
145.06461	1.4
147.04434	0.4
149.05960	0.6
149.27388	0.3
151.03859	4.3
151.06329	0.2
152.04660	14.3
153.05440	3.8
155.03366	29.1
156.04024	0.8
157.05133	0.3
157.06499	0.7
159.08093	0.4
159.26003	0.3
161.05983	0.4
161.09586	0.7
163.03883	1.1
163.06023	0.6
163.07466	0.6
165.05453	2.0
167.03375	23.0
167.07053	0.9
168.04152	10.1
168.07355	0.5
169.04893	1.1
173.06006	1.6
174.06741	0.4
175.07516	2.5
177.05391	0.4
177.09071	0.6
179.03348	0.6
179.06966	0.3
181.04942	0.7
185.05946	0.4
187.07542	0.4
189.05453	0.7
189.09056	1.0
191.06993	4.2
193.04967	0.8
193.12189	1.7
197.04457	0.4
201.05510	0.3
205.08540	0.9
207.10139	9.8
208.10910	12.9
209.11658	1.8
221.04333	0.3
223.09615	7.6
224.10176	0.4
229.04980	0.4
230.05594	0.3
245.08073	1.8
259.06180	0.3
273.07437	0.4
279.08633	8.2
291.08582	100.0
292.08966	2.7
303.04807	0.3
303.08401	0.5
315.08563	0.4
333.09744	0.5
346.21213	0.4
347.14835	52.8
348.15207	1.4
357.09412	0.4
359.14749	0.4
389.15875	0.3
399.10703	0.4
435.12744	1.7
453.13913	5.4
459.27509	0.4
473.18076	0.3
491.26132	0.3
660.26587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46881	0.4
53.03930	2.0
55.01868	3.4
55.05503	12.1
57.03428	5.7
57.07053	0.5
59.04974	1.7
61.02909	1.4
65.03938	1.1
67.05496	24.1
68.05833	0.5
69.03412	1.8
69.07055	6.6
71.01338	0.7
71.04977	2.3
73.02911	0.8
73.06530	1.0
79.05480	34.9
80.05799	0.8
81.03407	9.9
81.07043	24.1
82.07361	0.6
83.01324	3.4
83.04967	10.1
83.08617	7.7
85.02901	3.1
85.06512	1.9
91.05465	27.4
92.05791	0.8
93.07031	36.4
94.07346	1.0
95.04953	12.6
95.08593	13.0
97.02872	2.0
97.06516	3.5
97.10162	2.7
98.20637	0.7
99.04420	1.3
99.08076	0.5
105.04518	0.9
105.07018	19.8
106.07350	0.7
107.04938	7.3
107.08573	11.6
109.02862	1.8
109.06493	5.3
109.10146	2.5
110.10496	0.5
111.04420	1.5
111.08056	1.5
115.05424	0.6
117.07005	6.7
118.07352	0.5
119.08565	13.4
120.08914	0.4
121.06492	3.4
121.10123	4.9
123.08034	5.9
123.11716	0.6
125.05981	1.4
125.09597	1.1
127.07573	0.9
128.06204	1.5
128.97279	0.4
129.06978	8.7
131.04924	0.5
131.08571	4.1
133.06497	0.8
133.10107	6.6
134.10504	0.6
135.08014	1.8
135.11655	6.3
137.09604	1.4
141.06947	0.6
143.08557	5.0
144.08911	0.5
145.06494	1.0
145.10109	11.7
147.08047	2.3
147.11658	15.0
148.12006	0.6
149.05980	0.6
149.09557	1.3
151.11176	0.8
153.12708	1.3
155.08537	1.6
157.10104	0.7
159.11729	1.1
161.09599	1.7
161.13242	3.5
163.11157	11.1
163.12440	0.8
171.11670	10.1
173.09563	1.7
181.12291	1.3
181.40292	0.6
189.12709	4.3
191.10699	1.6
197.13216	0.6
207.13771	12.8
207.15610	0.9
209.11691	2.0
225.14856	0.7
227.12773	1.6
257.18835	0.5
265.14221	1.3
267.15796	0.7
275.20096	0.7
276.20456	0.8
281.17438	35.1
282.17825	1.2
283.15369	32.6
284.15637	0.8
285.03879	0.7
302.14572	0.6
408.24985	0.6
471.27505	6.3
485.15500	0.5
489.28421	100.0
490.28815	5.5
507.29324	0.6
527.37561	0.8
545.38080	1.2
552.76508	0.5
560.36664	0.6
613.49524	0.5
650.37866	0.7
668.38336	0.9
686.39868	3.6
687.40570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31377	0.3
51.87356	0.4
55.01870	0.4
55.05501	1.2
57.07063	0.9
61.93802	0.4
66.27674	0.3
67.05482	3.2
69.07053	1.6
71.08620	1.3
74.09736	0.7
79.05480	1.9
81.07038	3.9
83.08617	1.0
85.06558	0.4
89.82685	0.4
91.05416	2.0
93.07037	4.0
94.07327	0.4
95.04971	0.9
95.08595	3.1
97.06567	0.4
97.10135	0.5
99.08093	0.8
105.03400	1.3
105.07014	2.1
107.08588	2.7
109.06562	0.5
109.10147	2.0
119.08590	1.4
121.10143	1.1
123.11700	0.9
131.08572	0.5
133.10130	1.5
135.11696	2.0
145.10081	0.5
147.11710	1.2
149.13255	0.5
150.12128	0.4
150.59732	0.4
153.05469	0.6
163.11171	0.4
165.05458	1.1
172.12280	0.4
177.09082	0.4
177.16451	0.6
179.03302	1.9
179.14249	0.9
197.04460	1.0
203.17986	0.9
205.08527	0.7
221.11833	0.6
223.09666	0.9
224.10005	0.5
237.11243	0.5
241.95787	0.4
257.08124	2.1
287.16586	0.5
305.17725	0.5
317.20819	7.0
317.24438	0.5
335.21844	4.4
356.50525	0.4
359.22266	0.6
373.23450	3.5
379.19153	1.0
391.24414	3.3
397.20251	0.5
513.35663	0.8
582.49634	0.4
609.73914	0.4
685.46381	100.0
686.46906	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	686.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11218	0.3
53.03909	1.3
55.01861	2.1
55.05502	6.1
57.03424	3.4
59.04971	0.4
61.02903	0.6
65.03900	0.9
67.05495	16.7
67.31150	0.3
69.03391	1.1
69.07063	4.2
70.06538	0.3
70.19625	0.3
71.04983	1.8
71.29746	0.4
71.30074	0.6
73.02911	0.7
73.06532	0.5
75.01655	0.3
77.03883	0.4
79.05481	27.7
80.05796	0.3
81.03408	4.8
81.07043	17.3
82.03724	0.4
83.04520	0.5
83.04968	6.6
83.08189	0.4
83.08610	5.5
85.02853	1.1
85.03337	0.3
85.06492	1.1
91.05462	16.9
92.05791	0.4
93.07030	30.5
94.07366	0.4
95.04953	8.9
95.08591	19.9
97.02872	2.6
97.06509	2.9
97.10108	1.2
99.04444	2.0
101.75420	0.3
103.05450	0.6
103.95374	0.3
105.07011	14.1
106.07314	0.5
107.04266	0.4
107.04943	5.5
107.08580	15.4
109.02840	0.5
109.06497	2.5
109.10146	3.1
111.04397	0.9
111.08021	1.0
113.05935	0.5
115.05453	0.6
117.06996	6.3
119.04900	0.3
119.08560	12.2
119.50391	0.3
121.06484	3.8
121.10126	6.1
122.43361	0.3
123.08059	1.9
125.05907	1.2
125.09590	0.4
127.03839	0.5
127.07504	0.3
128.06163	0.4
129.06999	4.8
130.07715	0.6
131.08508	1.5
133.06439	0.7
133.09212	0.4
133.10123	5.1
135.07986	1.4
135.11671	20.1
136.11969	0.6
138.58887	0.4
139.07469	1.0
143.08559	3.1
145.06491	0.4
145.10107	15.4
146.10406	0.4
147.07980	0.7
147.11662	11.0
153.12704	0.4
157.10150	0.6
159.11684	0.8
161.09532	1.5
161.13231	3.9
163.11163	28.0
164.11462	0.8
165.09076	0.7
171.11652	7.6
173.09668	0.5
177.12712	0.5
181.12213	5.2
184.07292	0.7
185.13269	0.5
189.12749	3.3
197.13240	0.4
207.13760	6.8
209.11600	0.8
225.14799	0.7
227.12755	27.3
228.13060	0.9
263.16385	0.7
267.15656	0.4
269.04431	0.5
281.17432	47.9
282.17795	1.1
283.15369	26.8
284.15771	1.0
285.03983	0.5
311.08847	0.4
461.28995	0.7
489.28403	100.0
490.28738	5.1
507.29401	0.7
527.37018	0.5
686.39282	0.9
687.30170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01853	3.1
55.05505	17.5
57.03433	12.3
57.07066	35.8
59.04991	1.4
65.03942	1.3
67.05497	24.6
69.03420	12.2
69.07057	12.5
70.86660	1.0
71.04993	4.4
71.08620	25.0
71.79441	1.0
71.79810	1.2
73.02900	1.6
79.05477	12.9
81.03404	60.6
81.07043	30.2
83.04970	29.9
83.08613	23.2
85.02889	14.0
85.06527	2.2
85.10175	14.8
91.05457	16.2
93.07024	12.5
95.04952	17.7
95.08589	24.2
97.02879	14.0
97.06506	2.9
97.10141	7.1
99.04449	2.5
103.05946	0.8
105.07024	12.0
107.04959	3.7
107.08569	6.8
109.02852	7.0
109.06505	3.1
109.10149	13.4
111.04420	11.1
111.08069	7.3
111.11678	1.3
113.06001	1.2
115.05485	1.4
117.06982	1.4
119.08566	11.1
121.06513	1.1
121.10126	7.3
123.04429	1.3
123.08008	1.3
123.11686	4.9
127.03910	5.6
129.05486	10.5
129.06982	7.4
131.08554	6.9
133.06424	1.6
133.10092	7.3
135.08031	1.3
135.11699	3.2
137.09613	1.2
145.10062	2.5
147.08072	1.9
147.11646	11.0
149.09613	4.2
153.12720	2.2
157.10085	9.1
163.11162	2.9
165.05504	1.0
165.12729	3.4
175.11153	10.3
178.96606	1.0
181.12195	2.1
184.07344	2.0
186.52725	0.9
191.10657	3.1
193.12215	32.2
194.12509	1.4
207.06268	1.2
211.13266	44.8
227.12758	4.5
229.14325	5.3
239.23615	2.7
241.08994	1.0
249.14931	2.6
267.15897	15.1
283.15469	1.5
285.16888	8.4
313.27313	53.8
314.27692	1.3
335.25803	1.0
337.16312	1.1
355.17688	4.4
383.28024	1.2
393.19006	1.3
411.20023	3.2
429.21149	19.4
505.38788	11.2
523.39868	100.0
524.40393	5.4
539.39075	1.4
601.40948	1.3
667.44067	19.4
668.44086	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.01844	1.7
55.05497	2.7
57.07051	2.6
66.69824	1.4
67.05492	6.6
69.07058	17.4
71.04255	1.3
73.25467	1.3
79.05467	7.6
81.07037	13.2
83.01330	2.8
83.08620	3.4
85.06526	1.6
91.05436	10.2
91.28470	1.4
93.07037	21.5
95.04943	1.8
95.08598	19.7
105.07009	11.7
107.08576	25.2
109.06467	2.0
109.10130	11.2
117.06997	3.1
119.08556	12.4
121.06498	2.5
121.10126	7.4
123.08071	1.6
123.11697	7.2
131.08549	4.0
133.10133	8.1
135.08046	5.0
135.11674	25.2
136.12051	1.6
137.13228	1.7
145.10085	5.8
147.11636	12.5
149.09576	2.4
153.05449	9.5
157.10094	1.4
159.08031	5.0
159.11690	6.6
161.13249	2.2
162.06711	3.4
163.07504	8.9
163.14868	1.5
165.05453	43.3
166.05771	2.0
167.06982	8.2
170.57605	1.3
175.00606	1.3
175.14781	2.0
177.09073	14.4
177.16351	5.8
187.07539	5.0
189.16269	1.8
191.07108	1.5
193.08626	1.6
194.54561	1.3
201.09033	1.4
201.16403	10.0
203.07014	2.5
203.17923	14.4
205.08563	78.0
205.15842	1.4
206.08940	2.6
207.17363	1.8
219.10167	6.2
219.17421	8.8
220.10298	2.1
221.11635	10.6
222.11948	3.1
223.09625	100.0
224.09987	1.9
235.09453	1.7
237.11266	8.0
238.11530	3.3
263.19272	1.5
273.21994	1.5
275.16608	1.4
285.24069	1.6
287.16434	11.3
288.16855	2.1
291.15994	2.7
305.17108	1.8
329.17169	1.9
343.18741	1.7
344.22928	1.8
345.20593	9.4
347.22232	1.5
355.22641	24.2
357.20508	3.0
359.22229	2.4
360.22470	2.8
371.22040	2.7
389.23096	1.8
409.27249	3.1
411.25235	8.6
413.26813	53.7
425.26862	10.7
429.26248	9.2
447.27438	3.1
481.33096	11.8
497.32578	2.8
545.35718	1.8
547.37769	1.9
613.42572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02377	0.4
52.94864	0.3
53.03944	2.3
55.01863	1.3
55.05503	8.3
57.03428	3.2
57.07065	0.7
59.04983	0.3
65.03927	1.3
65.74059	0.3
65.95338	0.3
67.05495	26.5
69.03423	0.8
69.07060	5.6
71.04982	1.5
71.08608	2.0
71.20715	0.6
73.02879	0.3
73.06538	1.2
77.03905	0.4
79.05482	40.1
80.05820	0.4
81.03404	8.8
81.07045	23.5
83.04969	7.7
83.08605	4.7
85.02895	1.0
85.06526	1.8
87.04449	0.4
91.05014	0.3
91.05462	32.4
93.07029	41.4
94.07365	0.5
95.04955	12.7
95.08591	14.4
96.08906	0.4
97.02881	0.9
97.06515	2.9
97.10133	2.3
99.08099	1.4
102.55177	0.3
103.05453	0.5
104.65562	0.3
105.04524	0.5
105.07015	23.1
106.07410	0.3
107.04944	3.9
107.08577	10.7
108.08887	0.3
109.06490	4.4
109.07179	0.3
109.10126	2.8
111.08076	1.1
115.05478	0.9
117.07006	4.6
119.08560	14.0
121.06484	1.8
121.10114	3.2
123.08064	3.4
123.11764	0.4
125.05994	0.5
127.07551	1.0
128.06218	1.5
129.06978	10.4
130.07735	0.4
131.08554	2.5
133.06474	0.7
133.10114	6.3
135.08063	0.7
135.11687	2.6
137.09595	0.5
141.07004	0.4
141.09128	0.4
142.07808	0.5
143.08542	6.1
145.10103	6.1
147.08015	2.0
147.11659	23.0
148.11993	0.5
149.13181	0.5
151.07600	0.3
151.11177	0.8
156.09312	0.7
157.10144	0.4
159.11636	0.8
161.09612	2.8
161.13225	7.5
163.11166	1.4
169.10043	0.4
171.11668	16.0
172.12007	0.3
173.04367	0.4
173.13260	0.3
175.11101	0.4
179.14296	4.0
185.13295	0.3
189.12717	7.3
193.12221	0.3
207.13771	17.5
208.14069	0.4
218.98601	0.3
225.14856	2.7
236.16731	0.3
249.14690	0.3
263.16397	1.3
267.16064	0.6
277.21609	2.2
279.16006	0.3
281.17432	41.5
282.17844	1.3
423.16638	0.4
459.31024	0.4
461.28897	1.0
469.29346	2.7
487.30484	100.0
488.30850	5.3
543.36755	15.5
544.37207	1.2
583.93506	0.3
584.29828	0.4
631.34351	0.3
666.38049	0.4
684.43085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
53.24259	1.7
55.01860	4.9
55.05504	35.4
57.03429	11.2
57.07070	10.4
59.04987	1.8
65.03949	3.8
65.16055	1.5
67.05497	92.2
68.05814	2.2
69.03416	2.1
69.07059	37.0
71.04980	5.0
71.08623	12.4
71.82071	2.4
79.05486	61.9
80.62001	2.0
81.03428	4.0
81.07047	100.0
83.04976	10.0
83.08611	24.2
85.06541	6.3
85.10170	2.5
91.05472	56.4
92.05810	1.7
93.07035	83.3
94.07324	1.7
95.04964	14.4
95.08594	64.5
97.06516	6.7
97.10162	7.0
98.30634	1.5
99.08086	6.6
103.05515	1.7
105.04514	2.1
105.07011	48.2
106.07392	1.7
107.04923	3.3
107.08582	46.0
108.08947	2.0
109.06510	5.5
109.10144	29.1
110.95210	1.6
111.08085	4.6
111.11729	1.5
113.09631	4.5
117.07007	22.6
119.08565	34.3
120.08893	2.2
121.06519	3.9
121.10133	30.8
123.08080	3.8
123.11723	9.2
125.09628	4.3
128.06194	1.9
129.06984	11.8
131.08557	33.4
133.10115	22.9
135.08066	4.0
135.11681	24.3
137.09586	3.6
137.13211	3.0
139.11162	4.6
141.06998	3.3
143.08536	13.3
145.10117	26.4
147.11682	17.0
149.09705	2.3
149.13243	15.9
151.11154	5.3
151.14726	2.0
153.05466	1.8
155.08507	4.4
157.10091	13.3
159.11636	14.9
161.13239	12.7
163.11145	3.9
163.14844	7.3
165.05479	4.4
165.12820	1.8
169.10126	7.0
171.11646	8.6
173.09550	1.9
173.11903	2.1
173.13237	11.2
175.11168	2.2
175.14845	7.4
177.12737	3.9
177.16394	4.4
179.14235	2.1
180.79488	1.7
181.10132	3.0
183.11678	5.4
185.13214	8.6
187.14809	7.7
189.16397	3.1
195.11703	4.2
195.13805	3.1
197.13228	4.0
199.14856	4.6
201.16382	5.7
203.17900	3.2
205.08574	3.8
209.13286	4.0
211.14792	3.8
213.16325	3.7
215.17947	2.3
217.15952	2.5
219.10175	3.4
219.17445	2.3
223.14832	2.6
225.16283	2.0
227.18005	2.7
229.14308	2.6
237.11238	3.8
243.21089	8.2
247.20441	2.5
259.20450	2.7
261.22095	12.8
267.15918	2.8
269.17429	16.2
273.21906	2.4
277.21606	5.9
287.23312	2.0
289.14249	1.7
317.24695	5.2
333.24274	1.9
335.25815	31.3
343.26312	1.8
351.25269	6.9
419.33011	3.5
425.33765	2.3
437.33942	13.9
455.35199	4.3
473.36169	5.0
477.35843	3.2
489.35910	2.5
491.37021	5.0
499.38049	2.7
511.37592	5.9
513.39484	1.8
515.37701	14.4
517.39178	8.1
519.41498	3.5
527.37231	7.0
529.38873	97.9
530.39258	7.0
537.43164	4.4
545.39185	2.1
547.39917	3.4
555.44073	3.5
611.46539	33.6
612.46112	1.8
629.47626	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	681.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15690	0.6
53.03940	2.0
55.05238	1.1
55.05501	11.5
57.03415	2.7
57.06812	0.8
57.07070	14.4
59.04971	1.2
65.03923	1.7
67.05159	1.1
67.05498	20.9
69.03405	1.4
69.07059	35.1
69.83128	3.3
69.83556	2.5
71.04995	1.1
71.39811	0.9
79.05481	17.0
81.07049	32.5
83.01346	3.9
83.04974	2.1
83.08610	3.3
85.06509	3.5
91.05468	27.0
91.05943	0.5
91.06040	0.9
92.05837	1.0
93.06439	1.8
93.07030	29.9
95.04937	4.4
95.08591	31.6
97.06514	1.9
97.10174	1.8
99.21962	0.8
103.05467	2.0
105.07015	58.7
107.08578	30.8
109.06493	4.2
109.10143	41.9
109.10784	0.9
110.10449	1.2
111.08071	1.0
111.11691	2.1
116.06269	0.8
117.06996	3.8
119.04887	1.0
119.08567	48.1
119.92249	0.8
121.06485	2.1
121.09268	1.4
121.10131	22.5
123.08058	2.3
123.11694	17.1
127.03922	1.2
127.11128	1.3
129.06924	1.0
130.07710	1.2
131.08542	7.1
133.10109	27.7
135.08026	3.9
135.11682	16.8
136.12019	1.2
137.05949	3.0
137.09607	1.2
137.13210	1.2
139.03905	1.1
143.08519	1.6
145.10106	13.3
147.11667	98.6
148.12073	1.8
149.05904	0.9
149.09589	1.9
149.13210	2.1
151.07634	1.0
151.11143	1.2
153.05458	8.1
153.12715	1.7
155.08551	1.2
157.10080	2.1
159.08112	2.0
159.11661	5.1
161.05983	3.1
161.13232	13.7
162.06767	1.0
163.07512	4.0
163.11159	2.9
165.05455	28.9
167.07011	8.4
169.10112	1.0
171.11729	1.4
173.09564	2.7
173.13226	1.7
175.07491	2.5
175.11137	1.9
175.14836	4.2
176.08257	1.8
177.05464	5.5
177.09105	7.4
179.07045	2.4
184.87389	0.7
185.13196	1.0
187.07544	1.0
187.14812	1.6
188.08318	0.9
189.05431	1.9
189.09157	1.5
189.12701	0.8
191.07019	5.9
191.10651	4.0
193.04971	1.5
193.08545	1.2
196.01762	0.9
199.14783	1.2
201.09059	2.8
201.16362	18.5
203.07034	4.4
203.10614	3.4
203.17928	100.0
204.07756	1.1
204.18262	3.2
205.08614	6.4
205.12302	1.2
207.10091	2.4
213.09157	1.3
213.16507	0.8
217.08571	3.6
217.12144	1.0
219.10143	56.0
219.17393	2.1
220.10452	1.3
221.11723	12.1
223.09550	1.4
225.11121	1.2
229.12256	0.8
231.10156	5.5
233.11769	2.5
235.09619	1.4
237.11188	58.7
238.11597	1.2
243.10129	2.3
245.11717	1.3
249.11172	6.7
251.12727	0.9
255.10208	1.0
257.11670	5.0
259.13275	1.1
259.17087	0.9
261.11099	0.9
263.09149	0.8
269.22470	1.1
273.14810	2.9
275.12909	4.1
275.16168	4.1
285.14932	1.0
287.16385	26.0
288.16605	1.7
291.15921	5.1
303.15970	2.4
305.17419	16.2
337.22104	0.8
339.19504	0.8
341.21014	2.6
343.22626	16.3
344.22736	0.8
355.22491	1.4
359.22125	32.5
360.22388	1.1
375.21643	4.3
377.23178	41.2
378.23450	1.7
389.23022	2.0
427.28143	0.9
445.29263	4.1
477.33365	2.8
493.33099	1.4
523.34521	1.0
561.39954	1.0
568.33179	0.8
577.38971	1.2
645.44226	1.0
663.45416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01863	2.4
55.05508	12.0
57.03413	3.3
57.07071	26.1
59.04980	2.2
65.03935	1.9
67.05502	30.2
69.03425	1.8
69.07063	52.8
69.51885	12.8
71.04987	6.5
71.08616	1.9
77.03906	1.2
79.05482	20.2
81.07045	43.3
83.01328	4.9
83.04961	3.8
83.08604	5.9
85.02909	1.2
85.06557	6.9
91.05466	38.8
92.05808	1.1
93.07035	48.3
95.04961	7.2
95.08004	2.3
95.08592	37.0
97.06510	3.2
97.10156	3.1
97.19186	1.1
99.08000	1.3
105.07014	47.6
105.07727	2.5
106.07342	1.5
107.04946	1.1
107.08579	42.4
108.08903	1.5
109.02797	1.2
109.06500	6.7
109.10144	52.1
111.08065	2.9
111.11715	1.6
117.07011	7.5
119.07732	2.4
119.08561	35.9
120.08898	1.6
121.06473	3.9
121.10127	24.5
123.08038	4.8
123.11691	25.4
125.06007	1.3
125.09634	3.1
127.03844	1.3
127.11134	2.7
129.06992	2.7
130.07785	1.8
131.08548	11.5
132.09171	1.3
133.06447	2.6
133.10114	28.4
134.10635	1.2
135.08047	9.7
135.11676	35.5
137.05937	4.3
137.09586	3.0
137.13191	1.6
139.03833	1.4
141.05536	1.3
143.08511	4.2
144.09291	1.4
145.10106	16.1
146.10376	1.2
147.08047	3.0
147.11668	50.7
149.05928	3.9
149.09581	6.6
149.13223	3.4
150.90550	1.2
151.07533	1.4
151.11153	1.9
153.05460	16.0
153.12746	2.1
156.60738	1.0
157.10104	3.7
159.08032	2.3
159.11676	10.2
161.05930	3.7
161.09593	3.2
161.13246	10.8
162.06717	2.2
163.07518	6.7
163.11145	4.2
163.14783	1.4
165.05458	57.1
165.12743	1.6
167.07024	9.2
169.04924	2.6
171.11679	1.6
173.09621	4.8
173.13208	2.7
175.07462	2.8
175.11189	2.0
175.14793	4.4
177.05461	12.4
177.09087	14.1
177.12718	1.6
177.16272	1.8
179.06996	4.3
181.08514	1.5
183.06583	1.3
187.14795	3.1
189.05453	4.0
189.09073	3.4
189.16304	2.5
190.06308	1.4
191.06973	9.2
191.10651	8.7
193.05005	2.2
193.08496	1.6
199.14749	2.5
201.09067	6.7
201.16415	5.5
202.06192	1.0
203.06996	6.7
203.10614	5.5
203.17929	47.2
205.08588	9.5
205.12181	1.5
205.15964	1.4
207.10126	3.4
215.07089	1.4
215.10786	1.4
217.08636	6.6
219.10144	92.8
219.17374	7.6
220.10629	3.6
221.08287	1.5
221.11708	18.7
223.09607	4.7
225.11221	3.1
229.08629	3.2
229.12242	1.6
231.10117	8.3
233.11757	3.8
235.09616	5.2
237.11185	100.0
238.11577	2.8
239.14130	1.2
241.08578	2.2
243.10176	5.5
243.13756	1.6
245.11687	4.8
249.11186	16.3
257.11795	7.4
259.13220	3.6
269.15259	1.8
271.13235	2.7
273.11859	1.1
273.14651	5.9
275.12726	7.4
275.16373	4.6
277.14493	1.5
283.13345	1.6
285.14789	3.2
287.13126	2.0
287.16382	36.2
288.16626	1.3
289.14304	2.7
291.12448	2.3
291.15857	8.3
299.16263	2.1
303.15967	3.1
305.17444	25.5
325.18124	1.4
339.19537	1.5
341.21170	5.7
342.21802	1.4
343.22614	24.6
357.20529	3.5
359.22107	46.2
360.22467	2.3
361.23560	1.2
368.24380	1.2
371.22189	5.1
375.21680	6.3
376.22247	2.2
377.23187	70.8
378.23495	3.0
389.23132	5.9
409.23489	2.7
427.28311	2.9
439.28299	1.4
443.28000	1.6
445.29483	22.3
446.29803	1.8
451.28210	2.3
457.29507	1.6
461.28613	1.3
473.29190	6.8
494.33301	1.3
511.34265	10.8
521.25067	1.3
523.34094	1.6
535.30725	1.2
561.39276	2.4
577.38348	1.6
579.40393	9.9
593.37695	2.1
595.39288	4.4
597.41486	2.3
613.40747	3.2
621.33765	2.0
645.44202	1.5
647.46930	2.7
663.44897	2.7
681.35486	10.3
681.46283	5.7
682.36414	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	681.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.5
53.03946	1.8
54.80825	1.1
55.01850	1.4
55.05499	6.4
57.03422	2.8
57.06791	1.5
57.07067	17.0
65.03941	1.8
66.68622	1.1
67.05495	16.5
69.03415	1.4
69.07060	27.4
69.46025	1.1
71.04980	3.5
71.81736	1.3
78.21249	1.2
79.05474	11.8
79.27775	1.1
81.06603	2.3
81.07047	28.8
82.07390	1.2
83.01340	2.8
83.04961	2.0
83.08609	3.0
85.06525	5.5
85.92654	1.4
91.05466	17.1
93.07032	35.9
93.07582	2.7
94.07348	1.3
95.04942	4.8
95.08592	21.5
97.06485	2.3
97.10197	1.6
105.07010	23.2
106.46458	1.2
107.04977	1.7
107.08578	30.0
108.08916	1.3
109.06501	4.7
109.10144	25.5
110.10472	1.3
111.08069	2.5
113.09655	1.4
117.07011	3.6
119.08559	16.3
121.06499	3.2
121.10128	17.7
123.08069	2.4
123.11689	34.3
127.11212	1.8
128.06236	1.3
129.06927	1.7
131.08556	6.0
133.10106	15.4
135.08023	3.0
135.11671	35.3
136.12050	1.5
137.05951	3.6
137.09593	1.7
143.08534	2.5
145.10097	13.0
147.08061	1.9
147.11665	20.3
149.09618	3.5
149.13228	4.4
151.11153	1.5
153.05434	26.8
153.12755	1.8
157.10094	3.5
159.08003	2.3
159.11641	9.0
161.13235	5.4
163.07536	5.8
163.11151	3.0
165.05458	72.3
166.05812	2.2
167.07034	9.0
169.04977	1.9
171.11688	2.3
173.09561	3.8
173.13243	3.3
175.11214	2.0
175.14796	4.1
177.05521	7.3
177.09064	10.3
177.12660	1.6
177.16362	3.0
179.03345	1.6
179.07037	1.9
185.13210	2.5
187.14795	4.0
189.05522	1.2
189.09056	1.7
189.16374	3.0
191.07027	3.5
191.10716	4.0
191.17915	2.0
193.12262	1.6
201.09071	3.1
201.16364	5.6
203.06966	2.0
203.17953	16.7
204.07870	2.4
204.18291	1.5
205.08545	5.6
207.10098	3.0
207.17128	1.4
215.17815	1.6
217.08569	3.0
217.15910	2.3
219.10141	69.7
219.17433	5.8
220.10515	3.2
221.11684	19.1
222.12030	1.7
223.09613	3.8
231.10077	2.9
233.11754	1.7
235.09650	4.8
237.11174	100.0
238.11655	2.6
243.10081	1.8
245.11720	1.8
249.11166	2.1
257.11624	1.3
259.13327	1.5
271.24176	4.6
273.14917	2.4
275.16367	3.3
285.14902	2.3
287.16403	22.0
289.14209	1.4
303.15939	4.0
305.17432	55.2
306.17798	4.6
317.17468	2.4
341.21216	1.7
341.28464	2.4
343.19003	1.4
343.22684	7.3
345.20621	2.2
355.22351	1.8
357.20386	2.7
359.22110	21.5
359.29233	5.6
371.22208	3.5
375.21646	5.7
377.23163	29.0
378.23447	1.7
389.23053	12.3
425.26917	1.5
427.28302	4.9
441.26462	1.5
443.27798	4.2
445.29330	5.0
461.28717	9.1
473.28983	2.2
505.32770	1.4
511.34232	2.5
513.84943	1.5
523.33966	2.2
529.35858	1.5
559.37286	1.8
561.38916	1.6
577.38678	3.9
579.40344	3.7
584.89447	1.8
595.39783	5.2
597.39789	1.4
613.40222	2.4
645.44312	1.3
663.45099	4.1
664.46814	2.4
681.47449	7.1
681.58582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.05496	8.0
57.03415	3.5
57.07069	29.8
67.05492	12.2
69.07056	23.0
69.65108	15.6
76.13781	1.5
79.05473	17.0
81.07043	23.9
83.01317	4.2
83.08602	5.5
85.06519	4.1
91.05455	18.8
93.07030	63.7
95.04950	6.8
95.08588	25.9
97.06516	3.5
97.10143	5.4
98.21442	3.4
105.07025	23.5
107.08582	72.0
108.08898	1.8
109.06486	6.9
109.10146	18.1
117.06994	7.5
119.08559	18.8
120.89923	1.5
121.10123	30.9
123.08044	3.7
123.11694	22.8
125.09609	2.3
131.08553	11.4
133.10103	15.3
135.08034	4.5
135.11673	100.0
137.05850	3.1
137.13223	3.6
143.08524	3.7
145.10104	24.2
147.11691	14.0
149.09515	3.5
149.13222	5.4
153.05447	16.2
153.12714	4.1
157.10052	4.5
159.08070	3.1
159.11676	17.5
161.06027	2.0
161.09593	2.1
161.13248	8.8
163.07541	5.9
163.11147	5.4
163.14761	5.8
165.05463	45.8
167.07051	5.2
171.11650	2.9
173.09589	2.2
173.13222	3.0
175.07423	3.1
175.14830	4.8
177.05461	1.8
177.09081	6.7
177.12688	2.4
177.16342	10.9
183.11642	2.2
185.13223	3.0
187.14815	2.8
189.09007	3.5
189.12711	3.1
189.16374	7.3
191.06992	3.4
191.10629	4.9
191.14287	2.2
191.17844	2.0
199.14825	3.2
201.09038	4.1
201.16357	32.0
203.14313	2.6
203.17952	8.0
205.08534	3.6
205.15900	2.8
207.17377	2.5
215.10693	1.9
217.15820	2.8
219.06537	5.9
219.10150	59.7
219.17410	98.1
220.10524	2.5
221.11673	24.7
231.10124	2.4
231.13760	5.5
233.11609	1.8
237.11171	73.1
238.11455	1.9
249.11324	2.2
249.14848	6.1
287.16440	19.1
297.18457	2.6
305.17325	12.4
327.07837	8.3
328.08075	6.2
329.71011	1.8
341.21252	3.6
353.21060	9.9
359.22153	26.9
371.22266	15.2
373.23434	2.3
377.23477	9.4
377.27713	2.6
383.14111	3.3
384.14255	5.1
389.23074	2.5
395.29410	2.8
409.27246	4.4
419.29181	2.6
425.26520	8.6
427.28455	4.5
437.30450	6.5
439.20343	5.3
440.20441	7.7
441.63303	1.8
443.27859	16.1
455.27402	4.9
461.28793	6.3
475.97250	2.0
495.26462	4.6
496.26901	11.0
511.34225	7.9
552.32916	4.5
559.37701	1.9
577.39069	4.0
595.39587	6.6
608.39203	12.7
627.43616	5.4
645.45233	7.9
663.46222	9.1
664.45648	11.2
681.47137	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38993	2.8
53.03936	3.4
55.05491	10.4
57.07067	75.7
58.07387	3.1
67.05498	21.4
69.03413	3.9
69.07061	36.8
69.64886	30.1
71.04998	4.3
71.08598	3.7
77.77471	3.0
79.05486	24.2
81.07047	46.3
83.01319	4.7
83.08612	6.6
85.06526	7.1
91.05465	28.9
93.06485	5.5
93.07029	52.1
94.07333	3.1
95.04913	7.6
95.08591	47.9
96.60474	3.1
97.06489	5.0
97.10130	4.9
105.07017	44.7
107.08582	60.7
109.06516	4.8
109.10142	42.1
113.63847	2.9
117.06987	6.2
119.08566	43.8
121.06474	3.6
121.10128	35.9
123.04417	9.9
123.08051	6.6
123.11681	49.5
125.05916	3.7
125.09562	4.1
131.08525	14.4
133.10101	38.7
135.08006	9.4
135.11674	76.2
137.05980	4.3
137.09605	3.8
137.13295	4.3
143.08485	5.2
145.10120	20.1
145.11055	3.4
147.08011	4.3
147.10574	5.8
147.11662	57.5
149.05949	6.8
149.13203	7.7
153.05438	21.1
154.47577	3.1
157.10123	6.5
159.08092	3.5
159.11678	12.0
161.09607	3.6
161.13222	14.6
163.07503	8.1
163.11163	7.6
165.05455	100.0
166.05775	3.3
167.07008	9.9
171.11653	3.8
175.14761	6.1
176.83835	3.5
177.05424	8.1
177.09100	11.4
177.16376	5.1
179.10692	3.4
185.13217	5.4
187.14825	6.8
189.05510	4.0
189.16402	8.8
191.06998	9.2
191.10641	6.3
199.14777	8.4
201.09135	6.7
201.16344	19.7
202.44028	3.3
203.10567	6.3
203.17923	89.9
204.18175	4.1
205.08516	5.0
213.12529	4.4
215.17938	4.1
219.10139	64.2
219.17393	10.7
221.11687	16.5
227.14404	3.6
233.11667	3.8
235.09424	3.7
237.11177	82.5
244.10646	3.8
245.15321	4.1
249.11322	3.8
253.10651	12.3
257.11761	3.5
271.24026	10.0
287.16370	32.6
289.14484	7.9
289.17676	3.6
303.15948	5.1
305.17432	60.9
307.15567	7.9
320.95026	3.8
327.07843	21.3
327.19748	3.4
328.08057	13.9
339.19492	5.4
343.22717	15.2
351.19568	3.4
353.20871	7.2
355.22491	6.7
357.20514	9.0
359.22269	18.3
371.21964	9.6
375.21698	20.7
377.23157	30.2
383.13956	12.7
384.14359	14.0
389.23053	9.4
393.22638	14.7
397.30936	5.8
423.25186	9.3
427.28384	6.3
435.32410	5.4
439.20142	15.0
439.28522	4.8
440.20715	28.8
443.27875	12.3
445.29727	5.2
461.28937	12.6
479.31598	8.1
493.32623	8.9
495.26355	8.7
496.26785	23.4
497.32352	5.6
511.34210	7.7
523.34216	6.4
552.32928	12.8
559.38361	6.1
561.39337	3.9
577.38531	13.0
595.39648	18.0
607.39026	4.0
608.39410	34.6
663.46265	7.0
664.45648	40.3
681.49622	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	680.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.5
55.01868	8.8
55.05266	3.2
55.05506	32.7
57.03428	11.8
57.07070	18.7
62.95788	1.9
65.03921	6.8
67.05497	90.5
69.03413	5.4
69.07056	33.8
71.04975	7.3
71.08618	5.7
71.81903	2.2
77.55006	1.8
79.05486	58.1
81.03420	10.8
81.07045	100.0
83.04976	12.8
83.08608	14.4
85.06516	11.5
85.10142	2.3
91.05463	62.7
93.07031	83.7
95.04946	16.1
95.08591	67.6
97.02859	1.7
97.06526	5.7
97.10159	6.9
99.08077	7.8
103.05418	2.0
105.07015	55.7
107.04953	7.8
107.08576	55.9
109.06503	13.2
109.10143	51.7
110.10439	2.0
111.08041	3.6
113.09592	2.8
117.06995	15.5
119.08569	36.3
121.06481	7.3
121.10119	37.8
123.08074	10.0
123.11697	18.6
125.09635	6.6
127.07448	3.1
127.11219	3.6
129.06992	5.2
131.08549	27.5
132.08871	2.5
133.10109	52.9
135.08057	5.1
135.11668	36.0
135.12637	2.9
136.12041	3.7
137.09641	9.8
137.13258	6.6
139.11189	1.8
141.07033	2.9
143.08574	7.3
145.10095	20.8
146.10481	2.9
147.11662	17.6
149.09602	7.0
149.13295	10.6
151.11151	20.1
151.14850	2.5
153.05440	5.4
153.12804	2.3
155.08492	1.9
157.10104	5.0
159.11694	17.2
161.09628	4.7
161.13281	12.2
162.73254	1.8
163.11163	11.0
163.14792	10.1
165.05428	14.3
165.09164	4.3
165.12732	2.4
169.09981	2.1
169.12253	2.4
171.11690	5.5
173.09599	3.6
173.13235	10.0
175.14838	6.0
177.09079	2.6
177.12706	4.0
177.16360	5.3
179.10652	2.2
187.14822	6.9
191.14418	2.6
195.13789	4.2
199.14769	2.5
201.16333	5.6
203.17931	5.6
205.08556	4.0
215.10887	1.8
215.12825	5.0
215.88866	1.8
217.15977	2.7
219.10089	9.9
221.11768	3.4
229.19441	1.7
237.11124	9.4
238.11514	3.5
241.19600	2.6
243.17488	1.8
243.21030	12.8
244.24394	1.9
253.14308	32.4
257.19006	3.4
259.20535	3.4
261.22107	25.5
265.21625	2.0
267.16083	2.1
275.19995	27.9
277.21683	5.0
287.16391	5.1
293.21078	12.9
303.15842	2.1
317.24704	5.2
335.25760	88.8
336.26102	4.3
337.27271	4.2
343.18933	3.9
349.23605	10.3
359.22165	3.6
367.24719	40.6
395.29895	1.8
489.35883	4.6
510.48151	2.4
513.35419	6.5
517.40283	2.9
527.36829	2.4
528.34003	3.5
531.36426	3.9
535.41052	4.1
545.38226	3.3
553.42328	2.5
599.46747	3.5
607.39203	2.1
609.45282	14.2
613.47980	5.8
627.36383	3.1
627.46112	56.2
628.46198	5.2
645.46338	3.6
706.75970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.1
54.20880	2.0
55.00728	2.1
55.01862	7.5
55.05500	43.6
57.03429	12.9
57.07060	14.0
57.07306	2.3
65.03927	4.1
67.05495	99.7
68.05818	3.7
69.03405	6.4
69.07060	46.7
70.02708	6.5
70.03127	7.9
71.04977	7.9
71.08597	10.1
77.03926	2.8
79.05478	90.9
81.03407	6.5
81.07040	100.0
83.04958	12.7
83.08595	22.6
84.88317	2.2
85.06528	7.0
85.10181	4.0
86.09696	5.3
91.05465	76.1
93.07030	96.4
95.04955	21.3
95.08591	86.7
97.06509	10.0
97.10158	9.2
99.08073	8.0
105.04474	2.6
105.07009	87.3
107.04937	5.2
107.08574	56.8
109.06502	8.0
109.10146	34.7
111.08076	7.9
113.09625	4.8
117.06995	33.9
119.08566	57.1
121.06486	4.6
121.10127	41.7
123.08029	6.4
123.11703	13.0
125.00009	2.6
125.09596	4.3
128.06166	4.3
129.06992	17.8
130.07732	3.7
131.08548	50.1
133.10103	44.2
135.08044	6.5
135.11678	34.2
137.09578	5.1
139.11247	2.6
141.06973	5.8
142.07736	4.0
143.08528	21.0
145.10098	39.6
147.08032	3.8
147.11665	34.4
149.09613	3.6
149.13243	16.5
151.11151	6.6
153.12663	4.5
155.08505	12.0
156.09331	3.9
157.10103	26.4
159.11653	26.0
161.09563	3.5
161.13205	23.2
163.07474	2.9
163.11150	4.3
163.14818	3.2
165.05489	9.1
165.12744	3.2
167.07164	3.0
167.08517	4.8
169.10083	12.7
171.11670	19.3
173.09561	3.3
173.13261	12.2
175.11241	3.8
175.14847	7.8
177.05515	2.3
177.09087	2.7
177.12755	4.0
177.16251	3.0
179.14317	3.0
181.10143	7.1
183.11632	12.7
184.07301	20.5
185.13264	16.1
187.14766	7.8
189.12831	3.2
189.16272	3.5
194.10828	3.0
195.11719	6.8
195.13632	2.2
197.13217	11.7
199.14784	11.1
201.16335	4.8
203.14365	3.3
205.08519	3.2
205.15886	2.7
209.13257	5.4
211.14891	5.5
213.16426	4.7
217.15857	3.5
219.10176	6.3
223.09752	2.5
223.14806	4.7
225.16299	2.9
229.14175	2.2
231.21034	3.7
233.15163	2.9
235.16986	3.6
237.11018	5.1
239.17914	3.1
241.19505	9.1
248.94724	2.3
251.17880	2.7
257.19031	4.3
259.20569	20.5
261.22009	3.1
269.17258	11.9
275.19986	5.5
277.21515	7.0
287.16544	2.7
315.23053	7.7
333.24121	18.8
335.25815	5.6
349.24646	3.4
351.25415	4.8
369.26337	2.4
399.32614	3.2
417.31384	3.7
434.00781	2.2
435.32465	8.7
451.31717	3.4
453.33655	4.4
471.34763	3.0
473.35431	2.5
491.37289	3.0
496.72812	2.5
497.35635	2.7
501.35733	3.3
509.36731	3.7
513.35779	14.2
515.37103	6.5
517.40204	5.7
525.35535	4.9
527.37225	62.3
528.37701	4.8
529.38586	6.4
535.41040	4.1
543.36005	2.9
609.45068	22.1
610.45758	3.2
627.46021	19.1
676.68457	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	680.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.3
54.85054	1.2
55.01856	3.4
55.05505	18.6
57.03428	4.8
57.07066	4.6
59.05000	1.2
59.14573	1.1
64.41248	1.0
65.03938	1.6
67.05496	51.8
68.15108	0.8
69.03432	1.7
69.07059	18.1
69.71506	1.0
69.71863	2.4
69.72267	8.4
71.04982	3.9
71.08624	43.5
78.26489	0.9
79.05484	49.5
80.07292	0.9
81.03424	6.8
81.07046	64.8
83.04971	9.3
83.08616	13.0
85.06534	3.5
91.05466	40.4
93.07033	68.4
94.07355	1.3
95.04949	10.3
95.08593	41.6
96.08913	0.8
97.06518	11.7
97.10149	4.6
98.21382	1.9
99.08083	29.3
105.07018	27.3
107.04936	7.3
107.08578	38.2
109.06495	4.4
109.10146	15.7
111.04481	1.3
111.08075	5.1
113.09655	4.6
113.88824	1.0
117.07006	8.1
119.08572	20.6
121.06513	2.3
121.10126	32.1
123.08039	3.6
123.11676	4.1
125.09564	2.2
127.11123	1.2
129.06999	2.8
131.08562	8.7
133.10107	19.2
135.07996	1.1
135.11674	34.7
137.09604	2.7
139.11212	1.1
141.09062	3.2
143.08540	4.3
145.10107	7.7
147.11667	7.2
149.13214	10.3
151.11157	21.7
157.10127	2.4
159.11673	7.6
161.09636	1.9
161.13254	12.6
163.11168	12.9
163.14810	1.3
165.05544	1.7
167.10658	2.0
171.11670	3.6
173.13249	1.8
175.11162	1.5
175.14735	2.6
177.12764	3.5
179.14287	84.4
180.14613	1.7
181.12294	1.1
185.13269	2.8
187.14754	1.5
189.12787	2.4
195.13745	2.9
199.14882	1.8
221.15395	1.8
227.12785	1.8
235.16954	1.8
241.19452	3.6
251.16435	3.0
259.20630	6.6
269.17441	18.5
277.21603	62.3
278.21967	2.8
293.21115	6.2
295.22501	5.6
301.62216	1.0
333.24051	1.9
335.25775	2.8
351.25256	50.9
352.25339	1.6
355.03247	1.1
365.28506	1.0
367.24802	1.8
369.26175	1.4
527.37476	1.4
531.36902	1.3
545.38312	100.0
546.38708	4.9
587.34735	1.1
627.36298	2.1
627.46082	33.5
628.46515	2.9
645.46759	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05499	7.3
57.06797	1.9
57.07067	33.4
67.05498	13.3
69.06695	1.3
69.07057	15.2
69.92474	7.4
71.08610	2.4
72.47206	1.0
78.63696	1.0
79.05481	12.6
81.07047	26.4
83.05000	1.1
83.08588	2.9
85.06548	2.6
91.05463	19.0
93.07030	36.7
94.62273	0.9
95.04941	3.6
95.08591	28.2
97.06512	2.1
97.10156	2.1
98.21441	1.5
105.07015	39.0
107.08575	54.1
108.08850	1.1
109.06499	4.4
109.10150	18.5
117.06986	4.2
119.08562	36.8
119.09412	2.2
121.06482	1.6
121.10126	26.2
123.08046	2.8
123.10882	1.9
123.11697	23.0
125.09584	1.7
127.11164	1.2
129.07047	2.0
131.08525	6.4
133.10109	21.1
135.08058	2.9
135.11670	100.0
137.06020	1.2
137.09596	6.3
137.13226	5.0
139.03856	1.1
142.07780	1.1
143.08534	2.5
145.10089	8.7
147.08022	2.4
147.11668	66.0
149.06018	1.1
149.09602	1.5
149.13228	4.5
151.11171	2.0
153.05453	1.8
153.09064	2.4
155.08514	1.9
157.10118	4.1
159.08046	2.0
159.11691	6.2
161.09621	1.6
161.13240	7.1
163.14819	1.2
165.05486	4.0
165.12724	9.5
167.07030	1.8
168.09335	1.5
169.10031	1.4
171.08076	2.2
171.11688	3.4
173.09592	3.2
173.13271	2.6
175.07593	1.9
175.11186	3.8
175.14783	4.7
177.05545	1.2
177.09117	3.0
177.12808	1.5
177.16409	1.7
181.08592	1.6
183.11691	3.1
183.13762	1.7
185.09561	1.7
187.07632	1.1
187.11145	2.5
187.14868	1.7
189.05501	1.1
189.09099	2.5
189.12737	2.2
189.16335	8.7
191.17989	3.5
193.10178	1.5
193.15660	1.3
195.11723	2.0
197.13231	2.2
199.07378	1.4
199.11070	1.4
199.14818	3.3
201.09029	1.4
201.12758	1.2
201.16374	6.6
203.07068	2.4
203.10611	3.4
203.17924	58.9
205.08508	1.6
211.11287	1.1
211.14633	1.2
213.12764	1.4
215.10574	1.6
215.17891	1.5
217.08551	2.5
217.15797	1.9
219.10188	2.3
221.11736	3.8
221.15273	2.3
225.16301	1.7
227.10582	1.3
231.09979	1.7
235.09651	1.5
237.11263	3.1
239.17955	1.7
241.12114	1.6
243.10104	1.3
269.15237	1.7
271.17068	1.6
299.20093	2.7
311.20032	1.4
313.21637	2.8
325.21582	1.4
327.19559	5.0
339.26797	5.4
345.20441	2.2
351.30600	2.0
357.20612	4.3
359.22400	1.6
359.27158	1.1
361.28827	1.9
369.20499	1.9
375.21790	2.2
377.28491	1.7
379.30008	3.2
405.23618	1.5
407.25650	2.3
415.29330	1.0
423.24652	1.3
425.26657	1.9
433.31042	1.3
435.32437	1.8
459.26657	1.3
461.30432	2.1
479.31476	22.9
481.32898	2.7
483.35349	1.2
491.31308	3.8
497.32578	24.4
507.40277	6.9
509.32480	2.1
513.37244	1.7
515.38824	3.6
531.38440	1.3
541.36426	2.0
559.37469	3.2
559.98627	1.1
565.38782	1.1
577.38727	3.4
599.44092	3.7
617.45306	6.0
625.42267	2.7
643.43469	2.9
661.44434	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	679.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
62.91079	0.7
65.03945	0.9
67.05471	1.1
70.23703	4.6
70.24028	0.9
79.05474	2.3
80.05008	1.3
82.06564	1.4
87.56779	0.8
91.05460	2.7
93.05752	1.3
93.07032	4.2
94.06537	8.3
95.04958	1.4
95.07348	6.1
96.08115	16.0
96.16956	0.8
97.06514	1.8
97.18343	0.9
100.11227	3.0
106.06553	4.8
107.07333	1.2
108.04483	0.9
108.08104	18.4
110.06029	1.0
110.09661	26.3
118.06522	1.5
120.04451	4.5
120.08080	19.1
121.08838	1.0
122.06004	7.6
122.09659	1.5
124.07585	12.8
126.05544	0.8
128.07074	0.9
134.06001	2.3
134.09641	2.1
136.07556	20.0
138.05469	1.1
138.08054	2.0
138.09114	35.0
139.09572	1.1
140.07033	1.2
144.04413	2.9
146.05980	19.5
146.09607	2.1
148.07553	12.4
150.05435	1.3
150.09131	7.1
152.07036	14.6
158.06058	1.7
160.03917	1.5
160.07571	2.8
162.05515	2.1
162.09122	2.0
164.07045	8.6
166.08620	74.8
166.15936	0.9
167.08926	0.9
170.88750	0.8
172.03928	19.0
174.05518	1.0
174.09184	1.2
176.07053	3.1
180.18703	0.8
182.08073	2.8
182.15334	1.5
183.09120	0.9
190.04959	17.2
197.10707	2.3
198.11491	4.5
199.12245	1.7
204.06528	33.3
204.08369	1.7
209.10689	2.0
209.16339	1.9
210.09329	0.9
210.11473	3.7
211.12234	8.1
212.13019	2.0
218.08185	4.1
221.10661	0.9
222.11482	1.9
223.08798	1.6
223.12262	6.1
224.09206	0.9
224.12947	2.0
225.10185	5.8
225.13846	2.1
226.10966	3.6
227.11746	5.7
235.08568	2.9
235.12300	1.9
236.09370	3.3
237.10161	9.3
237.13814	2.9
238.10962	7.7
239.11784	13.5
240.12468	1.9
241.09648	1.2
241.13391	1.8
243.11389	0.9
246.07590	2.1
248.09464	2.8
249.10196	13.7
250.10939	11.4
251.08038	1.8
251.08948	1.5
251.11768	18.4
252.12498	5.0
253.09756	3.2
253.13336	8.5
254.10516	1.2
255.11304	2.6
256.11978	2.8
257.12857	3.6
259.14618	1.2
261.10156	1.3
262.10922	1.3
263.11761	34.0
264.08853	5.7
264.12473	8.0
265.09717	6.9
265.13330	18.9
266.10425	4.9
266.13834	2.0
267.11227	13.4
267.14423	1.2
268.11993	1.3
269.12790	6.8
271.10782	1.3
271.14365	4.9
273.12341	3.1
275.11639	2.6
276.08969	1.1
277.09616	2.9
278.10455	7.0
279.11273	31.2
280.11807	5.2
281.12802	16.1
282.09967	1.5
283.10690	5.6
283.13998	1.1
284.11520	4.3
285.12317	16.4
287.13947	4.2
291.11237	30.2
292.11893	6.5
293.12802	25.9
295.10672	4.6
295.13892	1.6
296.11496	4.1
297.12311	50.3
298.12903	7.5
299.13852	27.2
299.17178	1.5
304.08771	1.0
305.14886	3.3
307.10690	3.9
309.12314	31.6
310.12787	3.0
311.10165	3.5
311.13867	11.6
313.11777	1.4
315.13333	23.0
316.14020	1.1
319.10727	23.1
321.12381	5.6
323.10388	6.8
323.15952	3.5
324.10449	1.5
325.11783	36.0
325.14774	1.3
326.12308	2.0
327.13400	5.6
337.11780	100.0
338.12070	5.9
339.13376	4.9
341.11298	2.8
342.16077	1.1
343.12875	4.7
355.12915	2.5
356.13724	1.3
357.14438	11.7
358.15292	1.9
359.16092	1.1
369.14337	7.1
371.16071	3.3
373.13846	3.3
398.14682	2.2
399.15515	2.4
401.13300	8.7
404.19818	1.9
416.15942	3.3
420.19366	1.5
430.17462	3.3
432.19006	3.1
438.20056	1.4
444.19098	2.5
446.21777	4.1
448.18384	1.7
449.19513	3.0
450.20361	7.2
458.16876	2.4
462.20175	9.2
464.21893	67.3
465.22284	4.0
472.18576	2.7
474.19843	3.1
476.17920	4.7
478.19595	1.4
482.19177	3.7
484.29486	1.0
490.19672	99.1
491.20300	6.3
492.21063	3.0
494.19064	1.9
508.20743	12.5
513.26294	1.0
514.21533	2.6
522.22296	74.5
523.22736	6.4
526.21967	1.5
583.25201	1.3
585.26984	1.5
587.24664	3.3
591.11737	1.0
603.28540	1.6
611.25128	11.9
629.25903	16.5
643.27875	1.3
647.27051	51.5
648.27429	4.3
661.28210	1.6
679.29700	11.2
679.50433	3.4
680.28992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01859	11.2
55.05509	24.3
57.03427	12.6
57.07057	12.7
59.04990	4.3
64.82635	2.7
65.03930	3.5
67.05496	82.6
69.03420	4.2
69.07059	39.5
69.69295	6.0
69.69706	18.4
71.04967	5.6
71.08624	43.8
79.05487	68.4
81.03414	16.7
81.07048	100.0
82.07379	3.6
83.04956	16.1
83.08605	21.9
85.06537	5.1
86.09709	8.0
88.44514	2.4
89.59450	2.3
89.82889	2.4
90.43092	2.3
91.05473	57.4
92.05775	3.2
93.07034	96.5
94.07344	3.4
94.76686	3.1
95.04951	24.7
95.08596	48.6
97.06525	21.5
97.10164	9.1
98.98453	3.4
99.08080	21.5
105.07022	51.3
107.04927	11.7
107.08588	55.1
109.06501	7.5
109.10146	23.3
111.08086	9.1
113.09617	4.2
117.07008	11.9
119.08585	37.9
120.08885	2.8
121.06491	5.9
121.10136	35.8
123.08042	3.2
123.11704	7.8
125.00020	3.7
125.09649	4.6
129.06972	4.1
131.08575	19.3
133.10121	30.7
135.08075	5.7
135.11676	38.5
137.09601	5.7
137.13272	2.6
139.11282	3.0
141.09068	5.0
143.08571	6.6
145.10080	15.6
147.07985	3.7
147.11694	20.4
147.44812	3.1
149.09608	8.3
149.13231	17.0
151.11188	14.9
153.12769	3.6
157.10123	7.3
158.10561	3.1
159.11668	9.9
161.09712	3.2
161.13274	15.6
163.11171	16.0
163.14737	4.4
171.11598	3.7
173.13260	7.4
177.12794	3.9
179.14290	88.2
183.11566	3.1
184.07304	18.9
185.13225	4.5
193.12216	7.3
195.13779	3.9
215.18301	2.7
230.52335	2.7
235.16943	7.2
237.11400	3.5
239.17769	3.4
241.15732	2.9
255.15903	12.5
257.18945	7.7
269.17505	24.9
275.20016	32.2
277.21579	62.1
278.22171	2.7
290.38510	3.0
291.19400	4.2
293.21051	4.0
295.22830	6.1
331.22565	2.7
335.25851	6.3
349.23737	32.0
351.25247	37.4
363.14209	2.6
367.24670	6.8
431.25613	3.2
505.39124	4.2
506.39124	28.9
507.37283	4.7
531.36829	30.0
543.36719	28.0
544.36725	3.4
545.38354	80.5
546.38574	5.2
625.44586	38.5
626.44244	4.6
643.44397	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	678.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.0
55.01853	5.2
55.05507	24.1
57.03412	4.3
57.07075	6.8
59.04979	5.2
65.79621	1.4
67.05497	44.7
69.03419	3.6
69.07059	27.4
70.07386	1.4
71.04969	3.1
71.08622	49.0
72.08978	1.4
79.05482	37.1
81.03415	7.0
81.07046	51.1
82.07343	1.6
83.04971	9.8
83.08606	13.3
85.06523	4.3
86.71125	1.3
91.05463	33.7
92.38663	1.3
93.07030	54.7
95.04947	12.5
95.08593	35.8
97.06548	8.5
97.10168	9.0
99.08089	26.1
105.07019	22.9
107.04924	10.3
107.08577	34.4
108.05758	1.6
108.08912	1.6
109.06494	4.0
109.10141	16.0
111.08065	4.0
113.09643	2.3
117.07027	6.6
119.08565	19.2
121.06495	10.4
121.10123	22.5
122.10477	1.7
123.08041	4.2
123.11710	4.6
125.09617	4.6
125.17028	1.2
129.06995	3.1
131.08536	7.6
133.10124	14.9
135.08092	3.8
135.10634	2.0
135.11670	30.8
137.09612	4.9
137.13225	1.5
139.11139	1.9
141.09116	2.8
143.08521	3.1
145.10100	6.4
147.07971	1.8
147.11633	8.3
149.09584	2.6
149.13246	8.7
151.11136	10.3
153.05464	2.0
153.12743	2.1
157.10098	3.2
159.11644	5.0
161.09636	2.2
161.13229	11.8
163.11183	6.9
163.14825	1.4
165.05426	4.4
165.12749	2.0
167.10646	2.7
169.10129	1.7
171.11713	2.2
173.09596	1.6
173.11850	1.4
173.13219	2.7
177.12656	7.3
179.14290	69.7
180.14633	3.1
183.91895	1.3
184.07317	9.6
185.13205	2.7
187.14874	1.6
189.11163	1.6
189.12749	2.7
199.14772	1.5
201.16386	1.5
203.18004	1.7
205.08646	1.5
206.57462	1.4
219.10130	3.3
221.15414	1.3
227.12811	2.4
235.16832	2.7
237.11224	6.1
237.75084	1.3
247.20555	1.3
259.20535	4.2
275.19952	7.2
277.21603	46.8
283.15576	2.6
287.16479	1.4
293.21069	100.0
294.21487	3.3
295.22672	3.9
337.27350	3.8
341.20923	1.2
349.23743	2.7
351.25250	31.2
359.21964	1.8
367.24771	42.8
368.25238	2.1
377.19403	2.1
386.32803	1.7
421.88519	1.5
506.39059	2.6
543.36615	4.8
545.38354	4.6
551.72388	1.6
625.45178	2.6
643.45575	91.0
644.45697	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	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	12.6
55.05503	26.2
57.03420	8.6
57.07071	11.7
58.19505	2.0
62.01813	1.9
65.03922	2.4
67.05146	4.4
67.05496	76.7
69.03422	8.0
69.07056	27.4
71.04984	6.5
71.08619	45.6
79.05481	56.5
80.05797	2.1
81.03395	14.2
81.07047	79.0
82.07415	2.9
83.04981	14.8
83.08619	19.6
85.06541	9.5
90.45981	2.4
91.05466	54.9
93.07034	86.6
95.04958	18.6
95.08591	50.9
97.06493	12.0
97.10175	8.1
98.20718	3.6
99.08080	25.1
105.07015	43.0
105.07711	3.0
106.63364	2.5
107.04958	12.4
107.08582	52.9
108.08936	3.2
109.06512	7.4
109.10136	43.1
111.08073	7.3
113.09631	3.4
115.05463	2.5
117.07008	9.6
119.08574	30.4
121.06506	5.3
121.10131	37.2
123.04469	2.9
123.08050	14.2
123.11691	10.2
125.09612	7.4
129.07036	5.3
131.08537	14.5
133.06529	2.3
133.10109	44.1
135.08054	5.2
135.11679	41.5
137.09607	8.4
141.09079	4.7
143.08521	4.1
145.10107	11.3
147.11687	11.8
149.09599	8.8
149.13239	13.1
151.11153	27.1
157.10074	5.2
159.11674	7.9
161.09644	3.7
161.13268	15.9
163.11095	12.5
163.14833	5.8
164.31950	2.0
165.05479	4.5
165.09126	5.5
167.10602	3.6
169.12238	3.1
171.11676	3.5
173.13216	2.9
175.07483	2.2
175.14851	4.1
177.12743	5.9
179.14293	100.0
180.14633	3.9
184.07303	5.5
185.13290	5.2
195.13733	3.1
207.13869	2.5
219.10158	4.9
221.11743	3.2
235.17018	6.5
237.11295	5.2
247.20624	2.9
253.14333	39.1
255.23235	2.6
257.18958	4.4
259.20514	2.4
275.19989	30.0
277.21591	75.8
278.22095	2.5
293.21069	17.9
295.22720	6.8
335.25778	9.9
349.23657	18.5
351.20978	4.9
351.25266	63.5
351.29495	4.2
352.25543	4.5
367.24725	51.5
368.24814	3.4
423.39609	2.3
475.33969	3.0
506.38965	17.5
507.40021	3.6
547.36169	4.8
611.46570	22.6
625.44348	18.0
626.44000	3.0
627.44489	2.4
643.45618	99.9
644.45703	5.6
661.45166	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	678.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73739	3.2
53.03931	7.8
55.01854	10.9
55.05499	35.1
57.03420	13.3
57.07064	14.3
59.04974	5.2
65.03919	4.0
66.81303	2.9
67.05147	5.2
67.05495	80.2
69.03415	3.0
69.07062	43.1
69.74752	13.4
69.75189	12.3
71.04998	7.8
71.08620	41.0
72.08915	3.0
75.11216	2.9
78.92956	3.8
79.05481	85.1
81.03381	18.5
81.07045	100.0
83.04968	15.0
83.08602	28.4
85.06536	5.6
85.10211	3.7
86.09689	9.4
91.05464	55.8
93.07027	98.5
95.04957	24.8
95.08595	56.4
96.08941	4.6
97.06530	26.1
97.10136	6.0
98.20718	7.3
98.98470	5.3
99.08099	21.2
105.07013	64.2
107.04937	19.4
107.07857	2.5
107.08568	56.4
109.06506	8.1
109.10133	30.9
110.33949	3.3
111.08059	7.8
113.09641	6.0
117.06995	21.8
119.08585	40.0
120.08898	3.6
121.06459	3.8
121.10111	45.4
123.08054	7.5
123.11684	9.7
125.00003	4.4
125.09577	3.8
129.06999	7.0
131.08549	25.5
133.06450	3.8
133.10109	43.3
135.08046	4.1
135.11678	55.8
143.08533	7.6
145.10104	20.9
147.11690	17.8
149.09650	14.4
149.13216	13.4
151.11133	14.2
157.10109	9.0
159.11679	13.7
161.09581	3.8
161.13228	16.4
163.11147	17.7
163.14684	3.5
165.05409	5.4
171.11635	3.8
173.13216	6.4
177.12688	6.5
179.14285	97.9
180.14632	5.1
184.07330	26.4
193.12225	6.6
235.16978	3.2
239.17780	3.4
255.15906	12.2
257.18988	8.9
259.20645	5.6
269.17502	29.5
275.20026	39.8
277.21603	70.3
291.19431	4.3
293.20990	7.8
295.22665	4.5
349.23663	33.2
351.25226	43.6
367.24924	5.3
432.32755	3.5
506.39182	35.6
507.37915	5.1
509.00186	3.3
531.36871	36.4
543.36652	26.5
545.38251	92.1
546.38873	8.0
585.42157	3.3
625.44623	47.0
643.45636	6.8
678.46661	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	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.1
55.01855	10.2
55.05500	35.7
55.43253	4.1
56.05851	4.2
57.03429	8.1
57.07051	18.8
59.04983	10.1
60.08152	3.8
62.57525	3.7
67.05498	80.2
69.03409	6.2
69.07060	46.5
71.04977	11.7
71.08622	31.0
71.82106	5.1
72.29327	3.7
79.05482	66.6
81.03405	27.4
81.06548	4.8
81.07041	100.0
83.04968	17.2
83.08610	24.8
85.06513	5.4
85.10165	6.5
86.09688	8.7
87.30390	4.4
91.05470	81.7
93.07032	72.8
95.01291	5.6
95.04955	21.1
95.08585	57.5
97.06528	26.2
97.10143	13.2
98.98445	13.8
99.08059	22.7
105.07009	88.1
107.04939	17.0
107.08574	54.1
109.06504	13.1
109.10121	26.9
111.08051	7.5
115.05405	4.1
117.07010	24.1
119.08574	51.2
120.08932	5.5
121.06499	5.5
121.10115	31.8
123.08066	7.4
123.11691	9.0
124.99967	7.3
125.09597	10.3
125.49754	3.9
129.07007	10.2
131.08566	31.2
131.19810	4.4
133.10103	49.8
135.08029	7.4
135.11667	27.1
137.09619	4.9
139.07541	5.3
141.08931	4.1
143.08559	5.5
145.10077	28.6
147.11682	29.4
149.09608	15.1
149.13228	9.4
151.11160	13.6
157.10112	11.4
159.11702	19.5
161.13235	16.2
163.11153	16.8
165.05417	6.3
171.11678	8.1
173.09642	4.2
173.13272	7.8
177.12782	6.6
179.14294	31.1
182.99306	3.7
184.07301	29.6
185.13293	4.7
193.12094	6.0
219.10155	5.7
219.17491	5.2
237.11165	5.5
247.20670	5.2
257.18964	6.6
259.20532	8.0
269.17484	17.9
273.18567	4.7
275.20029	81.1
277.21609	15.3
293.21027	33.0
313.27225	4.8
324.85330	4.2
333.24045	7.3
349.23734	30.2
351.25281	26.4
367.24997	6.0
506.39288	57.5
507.39206	6.1
531.36511	8.1
543.36786	84.1
545.38031	12.7
562.14789	5.0
625.44592	45.9
626.45026	5.6
643.45361	7.4
678.46851	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	678.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94750	1.4
53.03915	2.5
55.01859	4.4
55.05242	1.4
55.05502	23.5
57.03428	4.7
57.07059	7.9
59.04986	4.4
60.32197	1.2
65.03947	2.4
67.05144	2.4
67.05498	43.0
69.03398	3.8
69.07057	26.4
69.46389	8.3
69.46819	7.3
71.04966	2.2
71.08618	44.8
79.05022	2.6
79.05479	42.7
81.03395	9.5
81.07044	50.2
82.07361	1.5
83.01324	1.6
83.04967	8.9
83.08610	13.2
85.06527	3.8
86.09673	3.4
89.06071	1.5
91.05466	31.7
93.07028	53.8
94.07351	1.7
95.04965	15.2
95.08010	2.9
95.08591	37.7
97.06508	8.8
97.10134	8.3
99.08087	22.5
105.07011	24.3
107.04961	6.7
107.08582	36.1
109.06508	6.9
109.10155	21.0
110.52406	1.5
111.08063	5.3
113.09621	2.9
117.06988	3.7
119.08564	18.2
121.06454	8.3
121.10123	23.4
123.08075	3.6
123.11668	5.4
124.99995	2.7
125.09609	5.6
127.11150	2.6
129.06978	3.7
131.08557	8.5
133.10121	15.1
135.08032	3.8
135.11676	30.5
137.09590	3.3
139.11180	2.5
141.09047	2.9
143.08549	3.8
145.10106	9.5
147.11658	9.3
149.09607	3.0
149.13228	8.9
151.11140	10.6
153.05478	2.5
153.09088	2.3
157.10150	3.4
158.61113	1.4
159.11661	6.1
161.09584	2.9
161.13235	9.7
163.11166	7.8
165.05461	4.2
165.12781	1.8
167.10660	3.4
169.05035	1.6
171.11674	2.0
173.13135	2.2
175.11194	1.9
175.14888	1.7
177.09145	2.2
177.12662	6.5
179.14287	73.3
180.14592	3.0
181.12183	1.8
184.07332	12.1
185.13234	2.3
189.11189	2.4
189.12746	3.0
191.07158	1.8
195.13933	1.4
199.14812	1.9
201.16412	1.7
217.08554	2.3
219.10089	6.9
221.11586	1.7
227.12627	3.2
229.84795	1.3
235.16870	5.2
237.11147	7.9
259.20453	3.7
267.15924	3.2
275.20056	8.3
276.20282	1.5
277.21585	46.8
277.24667	3.0
287.16296	3.0
293.21063	92.7
294.21371	4.2
295.22610	2.8
335.25943	1.6
337.27335	2.1
349.23816	3.4
351.25211	36.4
352.25662	1.7
357.20541	1.5
359.18030	1.5
359.22067	2.1
367.24762	47.7
368.25183	2.5
402.60693	1.4
425.26517	1.8
497.94241	1.5
506.39185	5.3
543.36450	3.2
545.37964	4.4
579.71362	1.6
643.45569	100.0
644.45978	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.4
55.01862	5.2
55.05503	24.5
57.03421	5.3
57.07059	13.8
59.04982	8.1
62.37254	1.8
67.05496	48.9
68.05842	1.8
69.00584	1.8
69.03416	2.5
69.07059	30.3
69.59143	11.9
69.59572	5.5
71.04993	4.1
71.08247	2.6
71.08624	47.0
79.05486	41.1
79.29500	1.8
81.03405	9.4
81.07045	60.3
83.04984	14.2
83.08617	11.5
85.06518	5.1
85.10162	1.9
85.65986	1.7
86.09679	3.9
91.05466	31.7
93.07032	64.1
95.04958	19.8
95.08596	38.1
97.06512	10.1
97.10143	7.0
99.08088	27.7
105.07018	25.8
107.04957	14.9
107.08581	43.4
109.06498	8.2
109.10132	22.5
111.08044	3.3
113.09606	2.1
116.07109	2.1
117.06978	6.6
117.31369	1.7
119.08574	24.7
121.06464	6.9
121.10137	27.3
123.08049	5.6
123.11683	7.5
124.99954	2.7
125.09602	6.2
129.06981	3.4
131.08583	10.4
133.10118	17.8
135.08060	6.2
135.11674	40.3
136.83745	1.9
137.09637	3.4
139.11159	2.9
141.09134	2.5
141.19142	1.8
143.08536	4.8
145.10098	12.7
147.11668	7.5
149.09557	3.1
149.13243	11.8
151.11163	15.3
153.05405	4.0
153.12761	2.1
157.10100	3.2
159.11639	7.3
161.09560	3.2
161.13229	10.4
163.11159	6.5
165.05450	6.8
167.10547	3.5
173.09621	1.9
173.13194	3.4
175.11147	2.7
175.14841	2.0
177.12723	7.8
179.14285	79.5
184.07307	18.2
185.13292	2.2
189.12672	3.0
195.13882	2.0
199.14928	2.2
201.16394	2.3
203.17931	3.3
213.16400	2.2
217.16089	2.1
219.10118	5.1
221.11598	1.8
227.12730	3.8
229.08408	2.8
235.16957	4.1
237.11214	10.8
241.19412	3.0
275.20010	11.0
277.21591	55.7
278.21985	2.6
283.15353	3.1
287.16263	4.2
293.21078	94.4
294.21460	4.3
337.27240	3.7
349.23816	3.4
351.25266	35.0
352.25626	3.3
357.20297	2.3
359.22177	4.6
367.24789	40.7
373.20111	2.4
375.89923	2.1
377.19461	5.1
391.20923	2.5
506.38965	7.4
543.36456	2.1
545.38501	4.5
549.27710	1.9
583.15027	2.1
593.37939	2.8
625.44208	3.6
643.45624	100.0
644.45996	10.5
679.46063	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.01862	3.1
55.05503	7.5
57.03428	6.9
57.07047	0.7
59.04982	0.4
60.08132	1.0
61.02918	2.3
65.03902	1.0
67.05493	27.9
68.05801	0.4
68.65006	0.4
69.03424	3.8
69.06708	0.4
69.07056	7.5
71.01336	0.6
71.04973	4.3
71.07336	0.8
73.02884	1.4
77.03919	0.5
77.56371	0.4
79.05480	14.6
81.03405	25.1
81.07045	26.1
82.07360	0.7
83.04966	9.2
83.08605	10.0
85.02893	11.6
85.06535	3.4
86.09695	6.5
91.03901	1.1
91.05466	27.3
92.05780	0.9
93.07031	14.6
95.04955	12.5
95.08599	6.8
97.02871	2.4
97.06076	0.3
97.06522	3.5
97.10134	1.8
99.04418	1.7
99.08044	1.3
105.07014	22.2
106.07332	0.7
107.04929	2.7
107.08579	18.1
108.08891	0.7
109.02810	0.6
109.06504	5.0
109.10139	33.5
110.10423	0.9
111.04399	1.6
111.08058	5.0
113.05975	3.2
115.05417	0.9
115.07529	0.7
117.06997	2.0
119.08558	7.8
121.06480	1.0
121.10114	3.6
123.04439	0.6
123.08073	2.1
123.11688	6.4
124.99986	4.6
125.09597	1.6
127.03889	0.5
127.07583	1.9
128.06110	0.6
129.05463	0.6
129.06995	3.8
131.08545	4.2
133.06467	1.2
133.10110	44.1
134.10382	1.1
135.07976	1.0
135.11653	1.7
137.09589	1.5
139.03865	0.5
142.07771	0.7
143.08521	0.9
145.10097	1.5
147.08020	1.4
147.11681	5.2
149.09589	2.6
151.11159	20.5
152.11511	0.5
157.10118	5.8
161.09566	1.7
163.11096	1.1
163.25346	0.4
165.12714	1.6
169.12221	4.1
175.11148	6.3
179.10632	1.2
184.07317	21.5
188.45554	0.4
191.10501	0.4
193.12218	17.5
194.12650	0.5
197.11732	0.6
198.06831	0.4
199.40302	0.4
201.96738	0.5
207.10062	0.7
211.13264	31.4
212.13609	0.9
215.12749	1.3
227.12817	0.9
229.14415	0.5
243.08337	0.8
253.14316	100.0
254.14665	3.5
255.15897	1.1
267.15878	8.5
268.16180	0.7
270.17789	0.5
271.15353	24.8
272.15756	0.7
283.15372	0.8
285.16919	20.3
286.17300	0.8
389.23209	1.1
425.55927	0.4
445.25665	6.6
449.28476	0.6
461.29196	0.6
463.26804	17.0
464.27048	1.3
479.28909	0.5
481.27899	55.3
482.28195	4.3
625.33234	0.5
678.35620	1.5
679.32977	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	678.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01632	0.8
55.01869	9.3
55.05509	18.7
56.67900	0.5
57.03161	1.4
57.03431	23.6
57.07064	2.7
59.04993	0.8
60.08140	1.1
61.02920	5.3
65.03924	2.1
67.05498	54.1
68.05857	1.3
69.03409	5.1
69.06691	0.9
69.07064	15.5
71.01350	5.6
71.04994	4.3
71.07355	0.6
73.02905	3.6
79.05486	45.7
80.06254	0.8
81.03411	17.6
81.07048	31.0
82.03770	0.8
82.04192	4.4
82.07368	1.0
83.04507	1.2
83.04968	17.2
83.08599	11.2
84.02093	1.2
84.05755	1.3
85.02903	7.2
85.06537	4.5
86.09696	7.2
86.33607	0.6
87.04436	1.1
91.03942	2.5
91.05471	24.4
91.06045	1.4
91.40587	0.6
93.07035	54.1
94.04178	1.2
94.07338	1.5
95.04962	16.5
95.08593	11.3
96.05753	1.2
97.02885	5.3
97.06524	14.2
97.10163	18.4
98.07307	5.5
98.21473	1.1
99.04445	1.4
99.08094	2.7
105.04489	0.9
105.07028	9.6
107.04939	7.9
107.08582	36.2
108.82413	0.7
109.06495	4.6
109.10152	8.9
111.04428	2.0
111.08083	6.4
113.06003	0.9
115.05428	1.1
116.04713	7.5
117.07009	7.4
119.08576	13.0
121.06484	3.3
121.10143	13.4
123.08037	4.8
124.99981	5.0
125.05983	0.7
125.09615	12.9
127.03858	0.7
127.11155	1.5
129.05470	19.2
129.06924	3.6
130.07787	1.2
131.08563	4.0
133.06456	1.0
133.10135	8.7
135.08035	4.5
135.11679	61.8
136.08775	1.2
136.12039	0.8
137.09573	3.1
139.11168	0.8
140.99588	0.7
143.07040	3.6
143.08557	0.9
143.10658	1.2
145.06467	0.8
145.10106	14.1
147.08032	1.5
147.11678	4.9
149.09613	2.7
149.13289	1.2
151.11180	1.9
153.09085	1.1
153.12753	4.1
155.08499	0.7
157.08586	9.0
157.10110	3.3
158.05746	1.3
163.09792	0.8
163.11163	15.4
164.11780	0.6
165.12776	1.2
171.06483	3.6
171.10181	3.6
173.09641	1.2
173.11725	2.5
173.52165	0.7
175.11142	1.7
181.12209	16.7
184.05681	1.4
184.07329	26.4
185.11758	1.2
189.11201	5.1
191.10655	3.2
192.11412	0.6
193.12213	4.0
199.09578	0.8
199.13269	10.3
200.14009	2.0
209.11667	5.3
210.12473	1.8
211.13335	2.1
212.13695	1.5
225.11143	1.2
227.12769	8.7
229.14275	1.2
253.14442	1.7
255.15897	100.0
256.16266	1.7
265.14371	1.6
267.15866	7.0
268.16183	0.7
269.17535	2.0
270.17899	1.3
271.18274	0.8
283.15451	8.1
285.17041	2.5
287.17792	1.0
301.16434	36.6
309.17142	3.3
309.20215	1.0
311.22067	0.8
337.20078	1.4
379.24771	3.7
397.25839	4.7
409.25824	13.5
410.26016	0.7
411.15759	0.7
421.25577	1.0
437.28995	1.5
446.26279	0.7
447.27448	8.2
461.29227	0.9
462.28973	1.0
463.26321	9.7
464.27658	12.1
479.29910	1.8
480.30377	1.7
481.27878	98.6
482.28207	3.9
678.36230	2.2
679.33118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.1
55.05508	0.2
55.39156	0.1
56.05033	0.5
57.03435	0.2
58.06617	0.4
58.09227	0.1
59.07348	0.1
60.08153	6.1
61.02884	0.1
67.05482	0.4
69.07074	0.1
70.37257	0.4
71.07360	2.8
79.05463	0.3
81.03394	0.5
81.07049	0.4
83.04961	0.3
83.08606	0.2
85.02892	0.3
86.06046	0.2
86.09692	31.6
87.10026	0.3
91.05463	0.9
93.07024	0.3
95.04946	0.3
95.08572	0.1
96.08117	0.1
97.06541	0.1
98.98442	2.7
104.10725	2.6
104.11422	0.1
105.07015	0.5
107.08556	0.1
109.10127	0.1
111.08115	0.1
116.10683	0.2
119.08556	0.3
121.10123	0.1
124.99982	20.3
129.06972	0.1
129.33942	0.1
131.08501	0.1
133.10083	0.7
142.08719	0.1
143.01022	0.2
147.11717	0.1
151.11169	0.1
157.10056	0.1
161.09535	0.1
175.11203	0.2
184.07312	100.0
185.07686	0.9
193.12234	0.3
197.11856	0.1
211.13277	0.3
212.16547	0.1
236.21918	0.1
253.14397	0.2
265.09808	0.1
267.15964	0.3
271.15387	0.4
285.17026	0.4
301.21442	0.1
301.89444	0.1
310.20551	0.1
418.28015	0.1
445.25848	0.3
450.22073	0.1
455.16251	0.1
463.26770	0.5
468.23474	0.2
481.27960	0.7
490.19910	0.1
524.04675	0.1
660.34534	0.3
678.36035	12.2
679.36469	0.8
708.40247	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	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05501	13.4
57.03428	6.9
57.07072	4.0
61.02664	1.6
61.02922	17.3
61.51733	1.2
65.03938	2.0
67.05496	81.8
69.03427	4.5
69.07051	14.2
69.57935	4.3
69.58353	9.2
71.04977	2.4
73.02912	7.5
73.06606	1.2
79.05482	44.6
79.05939	2.2
81.03403	2.6
81.07046	93.4
83.04996	2.8
83.08595	10.6
85.02888	21.1
85.06546	3.5
86.03278	1.3
91.03950	20.6
91.04922	2.6
91.05459	24.0
93.07034	58.8
94.07353	1.4
95.04959	4.3
95.08593	61.5
96.08913	2.2
97.02876	11.3
97.06484	3.6
97.10137	4.6
98.21429	2.2
99.04454	1.9
99.08075	2.3
105.07017	16.8
107.08571	38.2
107.09266	2.6
109.06503	4.7
109.10142	41.0
111.07996	3.0
115.03915	2.7
117.05495	1.6
117.07017	10.0
119.08566	17.8
121.06451	1.5
121.10128	36.0
123.08066	1.9
123.11691	17.9
125.09602	2.7
127.03921	4.9
129.07156	1.7
131.08549	20.5
133.10130	15.6
135.11673	26.1
137.09593	2.4
137.13264	8.1
143.08626	1.9
145.04948	10.2
145.10086	14.8
146.10606	1.8
147.11671	12.7
149.13235	24.4
151.11119	4.2
151.14769	2.4
159.11679	15.4
161.13234	13.7
163.05952	12.0
163.11174	1.9
163.14799	13.4
165.12715	3.1
173.13239	18.2
175.14807	4.8
177.12698	2.8
177.16370	6.0
179.14305	2.8
184.30550	1.4
187.14851	8.9
189.12721	1.4
191.14337	3.0
201.16389	4.3
205.15813	1.6
219.17432	2.7
233.22595	3.8
243.21036	35.4
255.84906	1.6
261.22104	100.0
262.22464	3.9
279.23126	5.7
335.25729	33.3
336.26358	2.2
353.26804	45.2
479.29941	2.1
497.31122	8.2
510.26358	1.7
602.67548	1.6
677.34998	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	1.0
57.07037	0.8
67.05457	1.1
69.07069	1.7
69.58108	3.1
79.05442	1.0
81.03384	0.4
81.07035	1.9
83.08571	1.1
83.93668	0.3
87.04443	0.4
88.62610	0.4
91.05431	1.3
93.06993	1.5
95.04908	0.3
95.08533	1.3
104.07052	1.2
105.06979	0.9
107.08592	1.6
107.80495	0.3
109.10123	0.7
121.10093	1.1
123.11655	0.6
129.06793	0.3
131.08482	0.7
133.10083	0.6
135.11618	1.3
145.10046	0.6
147.11627	0.4
149.09570	0.4
149.13213	0.4
157.10118	0.4
159.11710	0.3
165.05493	0.7
175.75046	0.3
177.09169	0.4
184.07394	0.4
202.89810	0.4
205.08542	0.8
219.09982	0.6
223.09625	0.6
233.10759	0.4
234.66678	0.3
237.11095	0.4
247.13211	1.0
313.27667	0.4
326.16397	0.3
387.16125	0.9
389.17496	0.7
390.18610	0.4
401.17822	0.8
402.18295	0.9
403.19153	3.5
404.19809	1.6
415.14789	2.4
416.16162	1.4
416.20749	0.6
417.17316	1.0
417.21243	5.5
418.21588	2.4
419.22195	3.0
428.19986	0.5
429.16434	3.0
430.17429	5.8
431.17618	5.7
431.22903	2.2
432.23734	3.7
433.23801	2.9
443.18182	3.2
444.19125	6.7
445.20001	14.6
446.20697	2.4
457.20551	1.5
458.21091	4.1
459.21732	17.8
460.22504	15.2
461.23322	4.2
471.22293	0.6
472.23038	0.6
473.24127	1.7
477.22778	1.4
485.19339	0.7
487.21384	1.5
488.22226	0.5
489.22647	1.2
490.23468	0.4
491.24231	1.1
492.25317	0.8
501.22830	0.8
503.24875	1.0
504.20944	0.5
505.25629	1.4
505.38803	4.2
515.24506	0.6
517.22241	2.9
518.22424	0.5
519.23102	2.7
520.23688	0.6
531.23798	7.1
532.24524	1.4
545.24902	1.3
546.26306	9.1
547.26953	13.1
548.27277	0.9
559.23572	1.1
563.26575	1.0
574.25861	0.6
575.26495	0.6
577.24438	7.6
578.25281	0.8
591.25958	10.4
592.26135	0.8
605.27490	2.5
606.28284	54.0
607.28815	5.8
617.30920	0.7
677.33228	100.0
678.33502	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	677.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10777	0.3
69.07054	0.3
71.78795	0.3
79.05476	0.3
81.07046	0.4
83.08604	0.4
91.05491	0.2
109.10155	0.2
135.11636	0.4
147.68597	0.2
150.31596	0.2
150.89990	0.2
175.46852	0.2
179.68190	0.3
235.12260	0.5
237.13872	0.5
248.13043	0.3
265.09760	0.3
362.07193	0.3
387.16080	0.3
401.17435	0.3
402.18152	0.5
403.19034	1.3
404.20032	1.1
405.20837	0.6
415.19473	0.5
416.19946	0.8
417.20956	4.6
418.21558	1.3
419.22311	1.6
429.17065	0.9
429.21637	0.5
430.17230	1.7
431.18600	3.3
431.22803	2.1
432.19049	0.9
432.23236	1.2
433.24094	2.6
443.17691	1.3
444.18939	2.6
445.20013	12.2
446.20294	1.8
447.21967	1.6
457.20258	0.9
458.21298	1.5
459.21744	8.4
460.22440	6.6
461.23431	3.1
471.21793	0.9
472.22427	0.5
473.18890	0.7
473.23541	1.3
475.21185	0.5
477.22699	1.2
485.19681	0.3
487.21460	1.1
488.21814	0.7
489.22620	0.6
491.25049	0.4
492.25250	0.4
501.23001	1.1
502.23483	0.4
503.24292	1.1
505.22095	0.7
505.38974	1.5
515.24200	0.8
516.83411	0.3
518.22894	0.3
519.24231	1.2
520.24249	0.4
530.26587	0.5
531.23029	2.2
532.24664	0.5
533.25592	0.6
545.22943	1.1
546.26147	1.9
547.26984	10.8
548.27515	0.5
549.25031	0.3
559.23413	0.7
561.24969	0.4
563.26489	0.5
574.25250	0.5
575.26532	0.8
577.24408	1.8
578.25519	0.4
588.26416	0.3
589.30365	0.9
591.25647	1.4
605.23663	3.2
606.28455	2.6
607.29004	2.7
617.31085	10.1
618.31500	0.7
677.33203	100.0
678.33594	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	677.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
56.59227	0.7
63.80444	0.7
65.03947	1.0
67.05515	0.8
69.03417	0.9
70.06589	1.0
71.79755	1.2
72.81544	0.7
79.05489	2.9
80.04972	1.1
81.07031	0.8
82.06574	1.2
85.40132	0.7
86.09718	0.8
91.05469	2.4
93.05789	1.4
93.07011	3.8
94.06550	5.8
95.04964	1.3
95.07352	3.5
96.08115	6.9
97.02852	3.7
97.06516	4.6
98.06857	0.8
103.05466	1.3
106.06544	1.5
107.07298	0.9
108.04493	2.3
108.08095	11.2
110.09672	10.9
111.04434	0.9
116.05013	2.2
118.06490	1.0
118.20359	0.7
120.04478	3.8
120.08076	8.7
122.06012	4.8
123.04426	5.8
124.04736	0.8
124.07579	7.3
127.03894	8.5
128.04285	1.7
129.04303	1.0
131.08630	0.8
134.05991	2.6
135.04414	3.5
136.04787	1.0
136.07564	8.9
137.05936	1.1
138.09123	16.1
139.03889	7.3
140.04231	2.2
141.04446	1.1
144.04362	3.6
146.05989	6.0
147.04382	1.4
148.07533	3.8
151.03860	1.3
152.07025	2.2
160.03960	2.6
162.05536	3.2
163.03897	3.8
164.04184	0.8
164.07060	1.7
166.08611	11.6
167.07214	0.9
172.03915	17.2
174.05496	2.3
175.03957	0.8
176.07077	3.3
181.04947	1.1
184.07472	1.2
190.04953	19.3
192.06615	1.5
197.10732	1.3
198.09311	1.0
199.08665	1.6
203.07054	0.9
204.06531	33.0
205.07211	0.9
211.08748	1.4
212.09390	1.9
213.10260	3.2
214.10966	0.8
215.11856	3.2
219.10220	2.0
220.10391	1.7
221.10693	1.1
225.10191	2.7
226.08813	1.0
226.11009	1.1
227.11823	2.5
236.09442	1.5
237.10277	2.8
238.11008	2.4
239.11734	2.1
241.09784	3.5
243.11267	11.0
247.05989	1.5
248.06323	1.2
249.10316	1.8
251.08205	2.0
251.11859	2.2
252.09102	0.8
253.09665	1.6
255.11334	2.7
257.09140	0.9
257.12915	1.7
259.05359	1.2
263.08176	1.7
264.08954	3.7
265.09726	2.0
267.11292	1.5
269.09268	3.4
271.06009	2.1
271.10788	2.4
273.12311	4.4
275.05518	1.0
277.06882	0.8
277.09845	2.0
279.11362	2.7
281.09213	1.5
281.12820	0.8
282.10101	1.1
283.10730	5.2
285.12283	23.0
287.10263	7.1
289.06863	1.4
290.07599	1.2
294.10287	0.9
295.10638	1.5
297.12256	7.0
299.10413	1.6
299.13962	3.2
301.11935	2.5
302.07339	1.0
302.12894	1.8
303.13382	22.7
304.14169	1.8
307.10797	2.1
309.12170	0.8
311.10046	1.1
313.11765	1.7
316.10883	1.7
316.14148	1.3
318.15967	1.2
323.10336	5.0
325.11777	28.0
326.12701	2.2
327.13559	2.8
328.14426	1.2
329.11420	1.6
330.12320	2.8
330.15927	1.4
331.13455	1.0
337.11551	1.4
339.13660	1.3
340.14539	1.6
341.12289	1.2
343.12863	7.5
344.13803	2.4
346.15604	2.1
353.11450	1.1
354.12277	0.9
355.11917	1.4
357.14404	10.5
358.11557	1.1
358.15500	5.0
368.13785	1.6
370.11804	1.2
371.12677	2.3
372.13461	3.0
373.14081	0.9
374.15030	2.3
376.16742	1.2
383.12650	1.1
384.13318	1.0
385.14261	2.9
386.14954	8.0
387.15796	4.1
388.12366	1.0
388.16974	1.1
394.18130	1.2
396.13519	1.9
400.12341	1.1
400.16916	1.5
401.13870	1.7
402.14566	2.3
403.14954	1.1
404.16074	3.5
406.17920	2.2
410.15109	1.5
411.09808	1.2
412.16766	1.1
414.14432	9.3
415.15271	18.1
416.15817	1.8
418.17709	2.8
420.15472	4.0
428.16150	3.4
430.17648	3.0
432.15433	15.7
433.16037	0.9
435.18372	0.9
438.14359	1.5
444.15396	3.4
446.17026	3.6
456.15598	5.7
462.16614	12.9
464.18491	1.2
474.16565	30.9
475.17166	1.8
476.18356	1.8
488.18256	1.3
494.19400	2.5
506.19342	6.8
507.16647	1.7
581.23639	2.3
583.25525	2.1
585.23169	5.0
591.22833	1.0
599.24640	2.9
609.23218	9.4
610.23724	1.2
627.24426	100.0
628.25079	4.0
641.25793	2.4
645.25366	1.0
659.27112	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	676.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01859	0.2
55.05505	1.2
56.05819	0.1
57.03412	0.2
57.07058	0.8
58.06614	0.5
59.07394	0.1
60.08153	6.4
61.42903	0.1
64.88043	0.1
67.05489	1.1
69.07058	1.3
70.02900	0.7
70.07380	0.2
71.07359	2.8
71.08604	0.3
79.05477	0.9
81.03407	2.7
81.07048	1.2
82.03747	0.4
83.04931	0.3
83.08606	1.6
84.08942	0.3
85.06535	0.1
86.09691	30.2
87.10008	0.1
91.05476	1.1
93.07024	0.7
95.04950	0.7
95.08581	0.8
97.06516	0.2
97.10173	1.0
98.10485	0.1
98.98444	3.3
104.10725	2.5
105.07024	0.8
107.04933	0.4
107.08572	0.4
109.06541	0.2
109.10098	0.2
111.08056	0.3
111.11710	0.2
117.07004	0.2
119.08569	0.8
121.06532	0.1
121.10110	0.6
123.11740	0.2
124.99983	19.5
126.65225	0.1
129.06966	0.3
130.07343	0.2
131.08508	0.3
133.10136	0.5
135.11659	0.5
137.09668	0.1
143.00996	0.4
143.34988	0.1
145.10114	0.4
147.11639	0.4
149.09659	0.2
155.01103	0.1
157.10094	0.3
159.11717	0.2
163.11183	0.2
166.02660	0.3
168.76224	0.1
175.11145	0.3
184.07310	100.0
185.07738	0.7
193.12228	0.5
194.12569	0.2
203.17946	0.2
221.76407	0.1
238.56009	0.1
249.14972	0.2
267.15869	0.2
268.16211	0.2
269.17316	0.2
275.20007	0.3
312.26047	0.2
496.34372	0.2
503.36871	0.6
504.37592	5.8
505.38535	0.9
530.73663	0.1
653.95349	0.1
676.45361	9.4
677.35156	0.1
677.45758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
54.43701	0.6
55.01867	1.7
55.05506	12.1
57.03429	14.3
57.07055	1.2
59.05001	0.8
61.02922	3.8
65.03949	1.4
67.05496	35.3
69.03416	2.6
69.07062	15.4
71.01353	0.8
71.04987	5.1
73.02919	1.5
79.05025	1.3
79.05486	29.7
81.03410	44.3
81.07050	51.0
83.04971	12.4
83.08613	24.6
85.02387	0.8
85.02900	14.5
85.06552	3.3
91.03937	1.5
91.05466	25.2
93.07034	37.3
95.04954	20.0
95.08602	14.4
97.02894	4.9
97.06519	9.5
97.10165	3.9
99.04458	1.3
99.08081	2.0
103.05399	0.7
105.07022	17.0
107.04935	4.8
107.06989	0.8
107.08586	19.5
109.06498	4.2
109.10172	3.1
111.04414	2.0
111.08073	10.2
113.06002	1.8
115.05467	1.3
117.06985	4.7
119.08564	12.8
121.06488	2.5
121.10130	14.3
121.10983	1.1
123.08051	1.5
123.11671	3.0
125.09599	1.5
127.03963	0.9
129.06999	7.4
131.08543	12.7
133.06487	2.1
133.10117	12.7
135.11664	4.9
137.09589	1.5
142.07788	2.0
145.10100	1.5
147.08061	1.6
147.11673	11.3
149.09628	4.1
149.13245	18.9
151.11165	1.0
157.10120	10.5
159.11699	6.9
165.12752	2.3
175.11182	11.3
177.12625	3.9
193.12230	31.3
194.12587	1.2
195.13788	7.6
211.13283	38.6
212.13591	1.1
230.74257	0.6
232.24573	0.6
249.14948	0.7
265.85706	0.7
267.15894	30.0
267.18857	1.5
269.17453	63.6
270.17883	2.1
285.16928	34.0
286.17276	1.3
372.15485	0.6
435.27240	1.5
443.28104	1.1
461.28952	62.8
462.29355	4.0
479.30017	100.0
480.30328	5.6
496.16779	0.8
623.32898	0.7
676.26746	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	676.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01867	1.6
55.05265	0.9
55.05506	10.7
57.01726	0.7
57.03428	9.6
57.07054	0.8
59.04963	0.8
61.02918	4.9
65.03914	1.5
67.05496	30.0
69.03415	2.5
69.07062	10.5
70.90588	0.7
71.04987	4.0
71.08598	0.9
73.02893	2.2
79.05485	22.9
79.71320	0.6
81.03407	29.6
81.07046	41.2
82.51852	0.5
83.04967	8.4
83.08611	16.9
84.18707	0.6
85.02897	13.8
85.06532	2.8
91.03930	1.8
91.05465	22.2
93.07030	27.9
95.04957	13.8
95.08001	1.0
95.08588	11.1
97.02882	3.3
97.06513	6.1
97.10136	2.1
99.08068	1.7
105.07019	13.4
107.04935	2.8
107.08575	15.7
109.06485	2.9
109.10141	2.5
111.04437	1.3
111.08073	7.9
111.73656	0.7
113.05976	1.1
115.05403	1.1
117.07003	4.4
119.08565	11.0
121.06484	1.4
121.10130	10.5
123.08054	1.4
123.11687	3.3
123.54990	0.6
125.09625	1.2
127.03858	0.7
127.07539	0.9
129.07013	4.3
131.08549	7.9
133.06471	1.3
133.10109	11.4
135.11670	3.9
137.09587	1.1
142.07747	1.0
145.10130	1.5
147.08075	1.5
147.11668	8.8
149.09616	3.6
149.13257	7.1
151.11186	1.4
157.10127	7.4
159.11685	4.8
165.12714	1.6
175.11165	7.8
177.12679	1.9
181.70598	0.7
184.07393	1.0
193.12219	20.6
195.13795	6.2
211.13261	27.4
212.13542	1.1
213.14671	0.9
251.16347	1.2
267.15897	13.7
267.18726	0.7
269.17444	39.9
270.17871	1.5
285.16910	27.7
286.17099	0.9
369.23892	0.7
443.27878	2.5
461.28922	26.1
462.29190	2.3
479.30011	100.0
480.30344	7.0
497.17990	0.8
498.18445	1.6
572.64844	0.8
623.34650	0.9
676.27039	5.4
677.26563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01869	1.0
55.05505	19.0
57.03423	1.5
57.06807	0.6
57.07067	7.5
60.08147	1.6
61.34376	0.4
65.03929	0.7
67.05145	0.7
67.05496	8.7
69.03416	0.8
69.07060	22.5
70.83115	1.6
71.04977	1.0
71.07358	0.8
71.08620	4.5
73.02926	0.5
79.05482	5.8
81.03407	44.9
81.07050	7.1
82.03705	0.5
83.04956	1.9
83.08611	22.5
85.02884	0.6
85.06484	0.6
85.10173	1.3
86.09694	8.1
87.10024	0.4
91.05464	8.3
92.29942	0.5
93.07032	5.3
95.04955	12.6
95.08594	3.1
97.02899	1.1
97.06512	1.3
97.10157	11.7
98.93202	0.5
98.98449	5.2
99.08144	0.7
104.10738	0.6
105.07018	7.5
106.54328	0.5
107.04939	3.3
107.08580	3.1
109.06519	2.2
109.10149	2.0
111.04452	1.0
111.08054	2.7
111.11713	3.9
115.05444	0.7
117.07001	1.6
119.04889	0.5
119.08562	6.0
121.06527	1.2
121.10147	3.4
123.08051	0.9
123.11695	0.6
124.99983	4.5
125.09628	0.4
125.13235	1.0
129.06992	5.3
131.08563	4.9
133.06480	1.6
133.10139	3.0
135.11691	1.3
137.09598	0.9
140.46974	0.4
142.07738	1.0
145.10112	1.0
147.08029	1.3
147.11664	2.9
149.09613	2.2
155.01054	1.4
157.10114	4.4
163.11177	1.5
175.11163	3.9
184.07324	27.4
185.07736	0.9
193.12219	10.8
211.13463	0.5
212.79242	0.5
237.22116	0.7
249.14845	3.9
259.12787	0.5
267.12997	0.7
267.15823	3.8
311.25763	3.7
359.39310	0.5
403.14841	0.6
503.37262	100.0
504.37619	6.6
560.92853	0.5
579.59515	0.5
676.45703	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	675.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.90724	0.1
57.03431	0.9
60.92305	0.1
61.02898	0.2
68.99768	0.3
69.03413	0.4
69.07041	0.1
71.01299	0.1
71.04983	2.2
71.81228	0.1
71.81595	0.1
73.02905	0.5
73.16825	0.1
75.04460	0.2
79.05481	0.2
81.03399	0.2
81.07042	0.2
83.04942	0.4
83.97984	0.1
85.02376	0.2
85.02888	3.5
91.03966	0.1
95.04935	0.2
97.02863	0.7
97.06529	1.5
100.29439	0.1
105.07027	0.1
107.04931	0.2
109.02867	0.1
111.04446	0.5
111.05061	0.1
115.03902	0.3
117.07025	0.1
119.04865	0.1
121.06471	0.1
123.04412	2.2
127.03893	4.6
127.04842	0.2
129.05464	1.3
129.06975	0.1
131.04921	0.1
133.04904	0.2
135.04399	1.7
137.02321	0.2
137.05951	0.3
139.03882	5.1
140.04218	0.1
141.01721	0.1
143.08539	0.1
145.06491	0.2
147.04387	0.4
147.06561	0.5
149.02338	0.2
149.05928	0.3
151.03905	0.9
153.01790	0.2
153.05473	0.1
157.06427	0.2
159.04398	0.2
161.05933	0.9
163.03883	3.1
163.07526	0.2
165.05428	0.3
167.03441	0.5
167.07083	0.1
169.06438	0.1
171.07964	0.1
173.05968	0.2
175.03841	0.3
175.07573	0.3
177.05441	0.5
179.03404	0.6
181.04884	0.2
183.09816	0.1
185.05856	0.2
187.03905	0.3
187.07503	0.1
189.05452	0.3
189.09079	0.4
191.03328	0.9
193.04945	0.3
197.05997	0.2
199.07605	0.1
201.05440	0.6
201.09053	0.4
203.03369	0.4
203.06914	0.2
205.04919	4.2
206.05714	10.0
207.06232	0.5
213.05481	0.2
213.09006	0.2
215.06985	0.2
217.04895	0.2
217.08566	0.3
219.10138	1.8
220.07285	0.2
221.08003	0.6
227.07091	0.1
227.10670	0.1
229.04933	0.8
231.06641	0.1
231.10045	0.2
233.04428	0.3
233.08147	0.2
235.09612	100.0
236.09926	2.7
241.04848	0.2
243.06487	0.3
245.04436	0.4
247.06027	1.7
251.05409	0.2
253.04930	0.1
255.06332	0.1
257.04459	0.9
259.05991	1.1
259.09558	0.4
264.36920	0.1
271.05994	1.1
274.66916	0.1
275.05530	1.0
277.10550	0.2
283.05826	0.5
285.07388	0.1
287.05478	1.0
289.07025	1.1
291.08615	0.3
299.05460	0.5
301.07010	0.8
301.10428	0.2
313.10730	0.1
325.10745	0.1
331.11566	0.1
339.12186	0.1
343.11685	0.3
367.11630	0.2
369.13184	0.2
371.80801	0.1
385.12994	0.2
387.14014	0.2
391.08008	0.1
397.14951	1.7
409.09073	1.7
427.10254	0.6
505.14777	0.6
523.15253	0.1
543.20673	3.4
544.21191	0.1
675.28937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
65.03910	2.2
68.99776	7.4
69.03413	1.5
69.98309	5.5
69.98737	4.2
70.14968	1.5
79.05502	2.7
81.03400	2.0
81.11179	1.4
85.02910	1.8
91.05447	3.0
95.04928	3.0
97.06522	2.0
105.07009	1.9
107.04966	2.3
109.02837	1.9
111.00802	5.7
111.04422	11.6
115.05450	2.0
117.07028	1.7
121.02827	2.3
123.04417	45.4
127.03896	47.5
128.06232	2.1
129.06981	4.1
131.04936	5.4
133.06491	3.2
135.04402	36.1
135.05373	2.9
137.02307	2.8
137.05998	3.6
139.03882	100.0
143.04918	1.8
143.08533	2.2
145.06516	2.9
145.10088	1.9
147.04381	8.5
149.02271	3.2
149.05981	6.8
151.03883	29.8
153.01830	7.3
153.06996	1.9
155.08565	2.3
157.06415	4.0
157.10141	1.5
159.04410	3.1
159.07991	2.3
160.05115	7.0
161.05951	19.3
163.03886	36.0
165.05479	6.1
165.06792	1.6
167.03354	9.1
167.08481	1.9
171.08064	3.2
173.05983	5.2
173.09599	2.7
174.06721	1.8
175.03905	7.2
175.07512	8.1
177.05412	7.9
179.03398	11.3
179.07083	1.6
181.05005	3.4
181.06511	2.6
183.08020	2.4
185.05981	3.2
185.09500	2.3
187.03937	4.2
187.07553	5.3
189.05463	3.0
189.09097	19.3
191.03340	17.0
191.06952	1.7
191.10683	4.0
193.04988	5.5
195.08058	3.7
197.05978	3.0
199.07570	3.0
201.05534	7.1
201.09048	11.4
203.03320	9.7
203.07010	3.2
203.10741	1.7
205.04947	4.6
205.08577	6.2
212.08440	2.0
213.05435	3.5
213.09062	7.7
215.03528	1.6
215.06940	3.0
215.10614	1.9
217.04997	2.4
217.08568	9.7
219.10091	10.7
221.08047	5.8
229.04910	13.0
229.08678	4.1
231.06595	2.3
231.10094	2.5
233.04391	8.8
237.05473	2.6
237.09074	2.3
241.04977	3.9
241.08553	7.3
243.06534	3.4
243.10295	1.6
245.04485	7.4
247.05959	30.3
251.05499	2.0
255.06461	3.7
255.10315	2.1
257.04379	22.8
258.05014	1.7
259.06024	11.9
259.09427	2.4
261.07571	3.4
265.04950	1.7
269.04306	1.6
271.05975	24.8
273.07565	2.2
275.05478	20.2
283.06024	14.2
285.07330	1.9
287.05463	23.5
287.08334	2.3
288.05875	2.1
289.07019	29.7
291.08630	8.5
295.06100	2.4
299.05490	6.9
301.07025	15.1
303.08453	2.4
315.05325	1.7
317.06305	1.7
321.11276	1.8
323.09067	2.5
325.10690	7.1
337.10553	2.1
339.12192	4.6
343.11716	8.4
349.10724	5.4
351.12173	3.4
355.11743	3.3
361.10754	2.2
367.11697	16.6
379.11624	7.6
379.22290	2.0
385.12778	2.7
397.12820	11.5
409.09100	33.3
427.10269	8.0
430.27927	1.5
487.13922	3.3
505.14722	8.4
513.15442	1.7
523.15558	4.6
531.16705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01860	0.7
55.05498	5.6
57.03433	3.1
57.07068	16.0
65.03931	0.6
67.05495	21.8
68.05826	0.7
69.03436	0.5
69.07060	7.5
71.04983	5.7
71.08622	15.1
71.78911	0.9
72.23789	0.5
74.09659	0.6
76.07818	0.4
79.05484	8.2
81.03392	0.9
81.07046	24.1
83.04964	1.3
83.08607	8.0
85.06531	1.0
85.10175	8.2
88.85847	0.5
89.06001	0.6
91.05476	6.7
93.07033	12.2
95.04956	2.0
95.08595	15.2
97.06510	4.5
97.10158	5.9
99.08078	2.5
105.07055	3.3
107.08587	7.0
109.06494	1.1
109.10138	12.3
111.08055	3.0
111.11753	0.6
117.06996	2.4
119.08585	1.9
121.06463	0.6
121.10133	2.9
123.08066	1.1
123.11697	3.1
125.09621	2.8
130.57976	0.5
131.08543	2.6
133.08455	0.4
133.10132	2.6
135.08072	1.1
135.11702	2.7
137.13216	1.2
149.09602	0.8
149.13231	4.3
151.11157	1.8
151.14920	0.6
159.11690	1.8
161.13240	1.7
163.11172	0.8
173.11737	2.2
177.12787	0.9
179.14330	2.2
189.11250	2.1
195.13826	1.9
209.15408	0.7
227.12727	7.8
229.14287	11.2
239.23695	1.5
251.16286	0.9
259.76184	0.5
277.21625	2.7
283.19098	0.8
313.27328	15.3
351.25278	7.0
411.34531	2.9
467.37192	7.5
491.40988	2.4
507.40399	100.0
508.40747	3.9
589.48315	5.6
621.50348	0.5
648.80127	0.6
688.78076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.7
55.05507	9.9
57.03168	0.5
57.03429	8.6
57.03706	0.4
57.07049	1.3
59.04974	1.5
61.02919	4.7
64.95045	0.4
65.03915	0.9
67.05496	22.3
69.03419	2.0
69.07059	6.9
70.06587	0.4
70.83714	1.4
71.01337	0.7
71.04980	3.4
71.08626	0.5
73.02896	1.2
78.62978	0.4
79.05484	19.2
80.05811	0.4
81.03409	21.0
81.07046	31.9
82.07377	0.7
83.01336	3.6
83.04969	7.3
83.08609	12.7
85.02895	6.3
85.06533	1.4
91.03931	1.6
91.05466	16.3
91.06042	0.8
93.07032	23.8
94.07352	0.6
95.04956	10.9
95.08592	8.4
97.02885	4.1
97.06524	3.8
97.10155	1.8
99.04440	1.6
99.08068	0.9
105.06342	0.5
105.07016	8.6
106.40109	0.4
107.04948	4.5
107.08576	14.9
108.08835	0.3
109.02769	0.5
109.06511	4.8
109.09462	0.4
109.10129	2.3
110.48489	0.4
111.04441	2.0
111.08069	4.0
117.07001	5.8
119.08569	7.0
121.06458	3.3
121.10124	9.0
123.04445	0.5
123.08044	4.9
123.11699	1.9
125.05956	1.2
125.09585	1.5
127.03904	0.7
129.06970	3.3
130.07776	0.5
131.04842	0.5
131.08556	7.2
133.06474	0.8
133.10115	6.2
134.10321	0.4
135.08061	2.3
135.10635	0.5
135.11667	8.4
137.09598	0.8
139.11079	0.4
142.07767	0.9
143.08560	0.5
145.05022	0.5
145.06451	0.8
145.10110	6.9
146.99432	0.4
147.08028	1.7
147.11655	3.2
149.02303	0.5
149.09605	2.2
149.13252	5.6
151.11150	1.0
153.12706	1.0
155.08414	0.4
157.10123	2.8
159.11691	3.1
163.11163	11.2
165.12648	0.7
173.09596	1.6
175.11154	2.9
177.12767	1.4
181.12245	1.5
184.07219	0.8
191.10559	0.9
193.04961	0.6
193.12231	7.6
195.13788	4.8
209.11748	3.0
211.13286	3.4
213.15005	0.5
214.35872	0.4
217.88800	0.4
221.83823	0.4
226.58559	0.4
227.12735	2.0
227.28981	0.4
228.23166	0.7
249.14940	0.4
251.16507	0.5
255.13707	0.5
267.15869	21.9
268.16263	0.9
269.17441	27.2
270.17770	1.3
273.14902	0.8
283.15369	38.6
284.15775	1.7
285.16858	4.0
299.72369	0.4
349.21545	0.7
367.22580	1.3
385.23709	2.2
429.11801	0.5
433.25696	2.4
441.26465	1.1
459.27325	12.8
460.27887	0.9
477.28418	100.0
478.28796	8.4
501.27924	0.5
519.29340	0.5
621.33148	0.6
674.35419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
54.03474	1.0
55.01862	0.2
55.04236	0.4
60.93618	0.2
63.25575	0.2
63.31333	0.2
65.03925	0.4
68.99794	0.6
70.06582	100.0
71.01653	0.2
71.06926	0.5
71.10120	0.4
77.03910	0.2
79.05486	0.6
81.03397	0.5
81.07047	0.5
89.03928	0.5
91.05482	0.7
93.03398	0.4
95.04968	0.9
103.05485	0.6
107.04955	1.2
109.06474	0.5
111.04475	0.3
117.03358	0.2
118.95527	0.2
119.04922	1.2
120.65256	0.2
121.02853	0.4
123.04416	7.7
128.46625	0.2
128.75410	0.2
131.04924	0.8
135.04399	19.4
137.05959	5.2
137.32361	0.2
138.09166	0.3
139.03882	5.7
141.06995	0.3
145.06502	0.3
147.04399	1.4
151.03873	2.2
153.05437	1.2
159.04407	1.1
161.05951	1.3
163.03888	26.4
164.04567	0.8
165.05457	15.9
166.05896	0.3
167.03423	0.3
171.04375	0.3
173.06017	0.7
175.03894	1.0
176.07095	0.3
177.05432	2.2
179.03395	0.6
183.08026	0.3
185.05989	0.3
187.03903	4.0
187.07623	0.2
189.05502	0.7
197.06065	0.3
201.05527	0.9
203.03403	0.9
203.07101	0.3
205.04929	2.3
205.06578	0.3
211.07571	0.3
213.05508	0.5
215.07005	1.0
217.05020	0.3
221.06023	0.3
227.07063	0.4
229.04951	2.2
229.08591	0.2
239.07101	0.5
241.04889	0.5
241.08653	0.3
243.06584	0.8
251.07100	0.3
253.05028	0.2
253.08675	0.3
255.06593	0.6
257.08081	0.3
259.06024	1.3
267.06534	1.2
268.07330	0.3
269.08072	0.6
271.05954	4.1
273.07538	0.2
279.06757	0.5
281.08246	0.6
283.06021	2.3
285.07541	8.1
289.07077	0.5
291.08685	0.3
295.05988	2.3
297.07516	1.3
299.09067	0.6
301.07095	2.3
303.08649	0.3
309.07571	1.9
313.07040	4.3
313.10425	0.3
315.08545	1.0
325.07016	4.2
325.10791	0.3
327.08633	4.0
337.07077	0.2
384.14334	2.2
411.10754	0.9
435.10782	0.8
447.10797	2.8
453.11920	1.3
465.11774	4.3
466.12332	0.2
566.89081	0.3
605.16528	1.3
617.16425	6.1
674.22235	32.4
675.22540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35078	0.1
51.47379	0.1
53.03925	0.3
54.03462	0.7
55.01858	0.6
55.04229	0.3
56.96549	0.6
57.03412	0.5
58.06585	0.3
61.02907	0.2
64.23978	0.2
65.03913	0.2
67.05496	0.3
68.99777	0.9
69.03414	1.5
70.06578	100.0
71.04975	0.4
71.06909	0.6
71.77991	0.3
73.02902	0.4
78.05966	0.1
79.05476	0.5
81.03389	0.7
81.07037	0.4
84.96007	0.2
85.02886	3.2
89.03899	0.6
91.03931	0.2
91.05460	0.6
93.03402	0.4
95.04957	0.7
96.08081	0.2
97.02885	1.1
98.97558	1.3
99.04411	0.3
99.97932	0.1
103.02446	0.1
103.05453	0.5
105.03386	0.2
105.07022	0.1
107.04929	1.5
109.02877	0.5
109.06505	0.6
109.63732	0.1
110.97572	0.2
111.04443	0.8
112.11238	0.1
116.98585	1.0
117.03354	0.5
119.01861	0.6
119.04932	0.9
121.02830	0.3
121.06474	0.2
123.04409	8.2
124.04757	0.2
127.03880	1.7
128.98605	0.3
129.04050	0.2
131.01825	0.2
131.04897	0.4
133.03510	0.2
133.06506	0.4
134.03551	0.2
134.99632	0.4
135.04388	21.4
136.04782	0.4
137.02299	0.3
137.05954	5.5
138.09108	0.3
139.03873	5.9
140.02316	0.2
141.05423	0.2
141.06982	0.1
143.00204	0.3
143.01880	0.5
145.02795	0.3
145.04919	1.0
145.06458	0.2
146.99617	0.4
147.04356	1.5
149.02383	0.2
149.05969	0.6
151.03859	1.4
153.05411	1.4
153.06627	0.2
153.07027	0.1
155.01852	0.3
157.03439	0.2
158.13016	0.1
158.99635	0.6
159.04301	0.7
161.01152	0.3
161.02945	0.7
161.05904	1.5
163.03874	26.7
164.04405	1.0
165.05449	15.8
166.05756	0.3
169.06447	0.2
170.06012	0.5
170.99643	0.4
171.07944	0.2
173.02914	0.6
173.05995	0.6
175.03940	0.6
175.06264	0.2
176.06999	0.3
177.00627	0.9
177.05429	2.9
179.03413	0.4
179.08507	0.3
182.03317	0.3
183.04979	0.2
183.08055	0.2
185.02966	0.4
185.06070	0.2
187.03876	3.9
189.00710	0.5
189.05461	1.3
191.03743	0.9
192.05533	0.2
193.04968	0.4
195.07088	0.2
197.02998	0.2
197.05981	0.4
200.04385	0.8
201.00671	0.6
201.05522	0.7
202.54533	0.2
203.03424	1.0
203.07054	0.4
205.05023	1.5
207.08119	0.2
211.07573	0.4
213.05522	0.5
215.06920	0.9
217.04948	0.6
219.01738	0.8
219.07045	1.0
220.02225	0.2
221.05008	0.3
225.05605	0.2
227.03725	0.2
227.07051	0.3
229.05045	1.8
229.08553	0.2
231.07266	0.7
233.08609	0.2
235.07524	0.5
236.98134	0.2
237.02806	0.7
238.03365	0.2
239.06969	0.7
241.04936	0.6
242.08150	0.5
243.01917	0.3
243.06490	1.1
245.05043	1.4
246.05360	0.2
251.08961	1.0
253.04903	0.2
253.08673	0.3
255.06583	0.9
257.04904	0.3
257.08093	0.2
259.06046	1.1
261.02762	0.7
261.08118	0.2
263.06458	0.3
267.06424	1.0
269.07907	0.8
271.05960	3.4
272.06494	0.5
273.02774	0.3
273.07925	1.4
273.58447	0.2
275.05975	0.3
279.03827	0.7
279.06607	0.3
281.07117	1.1
281.57239	0.5
282.07288	0.4
283.05939	1.9
285.07532	7.3
286.07828	0.3
289.07080	0.6
291.03647	0.3
291.08731	0.5
295.05972	2.1
296.06668	0.3
297.07562	1.9
299.09064	1.1
301.07071	1.8
303.08618	0.3
307.05908	0.3
309.07516	1.6
313.07010	3.0
314.07211	0.2
315.08600	1.5
320.12469	0.2
321.10275	4.4
322.10800	0.2
325.06979	3.1
327.08572	4.3
331.06870	1.0
332.07364	0.9
332.11322	1.2
332.61508	0.3
333.08981	0.3
337.06778	0.2
338.10184	0.2
354.10703	0.6
362.09546	1.9
362.59702	1.1
363.10022	0.3
363.60080	0.2
365.10114	0.2
381.06625	0.2
384.14343	7.4
411.10791	1.2
429.06735	0.3
435.10577	1.0
441.09213	0.4
447.10672	2.0
453.11761	1.1
465.11719	2.8
504.16943	0.2
512.14917	0.3
522.17615	0.2
605.16272	1.2
617.16418	4.9
674.22198	28.4
675.22333	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	673.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01857	7.2
55.05502	15.4
57.03160	1.5
57.03429	21.4
57.07067	2.1
59.04996	2.6
61.02914	2.3
65.03925	2.5
67.05495	63.9
69.03420	22.4
69.07063	7.3
71.01340	3.1
71.04976	10.2
73.02909	25.7
73.03323	1.2
75.51315	0.9
78.63914	0.8
79.05488	25.3
81.03406	66.6
81.07041	22.8
81.07487	1.6
83.04976	17.3
83.08607	19.6
85.02892	39.8
85.06528	2.7
87.04459	1.5
91.05466	22.6
93.07034	12.7
95.04953	22.8
95.05518	1.9
95.08598	10.7
97.02887	17.2
97.06516	5.0
97.10170	5.2
99.04443	4.0
99.08081	1.1
101.02369	2.7
103.03912	1.8
105.07024	12.8
107.04945	18.9
107.08593	8.1
109.02859	8.5
109.06522	2.5
109.10138	52.3
111.04437	11.1
111.08067	9.9
113.06009	1.9
115.05437	1.3
116.04667	1.5
117.06997	2.7
117.20443	0.8
118.34997	0.9
119.08577	14.2
121.06490	2.3
121.10139	8.4
123.04432	4.3
123.08087	1.6
123.11665	1.2
125.05970	2.5
125.09638	3.5
127.03896	6.3
129.05461	5.9
129.06969	6.6
131.02533	0.9
131.03397	4.2
131.08556	7.4
133.06494	3.3
133.10117	9.8
135.04387	11.1
135.08012	1.0
135.11671	1.7
137.09605	3.5
139.03909	2.1
142.07759	1.4
143.07013	1.3
145.04968	1.9
145.10081	2.2
147.08047	3.1
147.11676	11.4
149.09560	5.5
151.03882	1.7
153.05469	5.1
155.10675	3.5
157.08751	1.9
157.10124	8.7
160.14545	1.0
163.03902	1.6
163.11172	2.4
165.12775	1.7
173.04417	2.6
173.09689	1.3
173.11722	14.4
175.11165	9.4
181.04967	3.2
181.12218	1.7
189.11151	1.3
191.10651	1.8
193.12221	35.6
199.06046	2.9
199.13278	1.3
209.11647	1.3
211.13272	49.8
217.07097	7.0
226.91899	0.9
227.12746	3.7
229.14325	54.4
230.14502	1.1
267.15866	17.0
267.18445	1.2
283.15387	3.0
285.16946	25.3
287.05466	2.4
300.39313	1.0
301.16449	3.4
389.85684	0.9
403.24707	1.7
421.25812	16.4
429.21179	2.0
439.26880	100.0
440.27182	4.4
445.20517	1.6
459.26913	1.1
475.26877	1.7
476.27802	1.0
493.27637	4.1
494.28690	1.2
511.29413	2.2
637.31744	1.6
655.33063	3.8
673.34167	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	673.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05338	0.6
53.03926	2.8
55.01865	6.2
55.05252	0.9
55.05503	13.8
57.03424	18.2
57.07063	1.6
59.04980	2.9
61.02911	2.6
65.03917	2.6
67.05492	60.7
68.05793	1.0
68.99793	0.8
69.03057	1.3
69.03419	22.5
69.07053	5.3
70.06556	0.7
71.01339	2.0
71.04983	8.3
71.77562	0.7
73.02904	22.7
79.05479	23.5
80.05799	0.7
81.03402	53.5
81.07040	24.6
83.01322	1.0
83.04465	1.1
83.04964	14.6
83.08121	0.9
83.08605	18.6
85.02888	33.8
85.06528	3.2
86.09698	1.0
87.04451	2.3
89.02361	1.2
91.05464	20.4
93.07028	14.5
95.04952	20.2
95.08595	10.7
97.02875	15.3
97.06499	5.8
97.10145	4.1
99.04429	5.0
99.08090	1.9
101.02354	2.9
103.03928	1.5
105.07014	14.4
107.04934	17.7
107.08570	8.6
109.02875	7.5
109.06499	3.6
109.10133	45.5
110.10469	0.7
111.04430	8.7
111.08060	7.8
113.05978	1.2
115.03896	1.7
115.05451	1.0
117.07007	3.5
119.04917	0.8
119.08561	14.4
121.02860	0.7
121.06477	1.9
121.10118	6.5
123.04413	9.1
123.08012	1.6
123.11681	2.1
125.05991	2.2
125.09572	3.8
127.03889	7.9
129.05519	4.1
129.06987	6.0
131.03372	5.2
131.04840	0.8
131.08557	7.2
133.06448	1.9
133.10110	8.7
135.04396	11.3
135.08015	1.3
135.11664	2.3
137.05980	1.1
137.09573	3.6
139.03853	3.8
142.07753	1.4
143.08521	1.1
145.04953	1.9
145.06465	1.2
145.09137	0.7
145.10086	3.7
147.04388	0.9
147.08057	2.1
147.11674	9.6
149.09613	4.6
151.03870	7.8
151.11179	0.8
153.05412	6.4
153.12740	1.5
155.08560	0.9
155.10645	3.5
157.10078	7.5
159.11795	1.2
161.05905	0.7
161.09604	1.1
163.03870	5.1
163.11150	3.0
165.05643	0.6
165.12741	3.0
171.11638	0.8
173.04434	3.8
173.11720	11.5
175.11153	7.0
181.04945	5.5
184.07375	0.8
189.05449	2.1
189.11227	1.3
191.10663	1.4
193.12212	24.1
194.12659	0.8
199.05945	3.8
201.09090	1.8
209.11699	1.6
211.13254	40.0
215.03481	0.9
215.14246	0.8
217.04912	2.4
217.07062	5.9
217.08694	0.7
217.12151	0.7
219.10150	2.9
227.12767	3.0
229.14317	46.7
230.14641	1.4
233.15392	0.7
245.04453	9.6
249.14833	0.9
255.15871	0.7
257.13760	0.9
267.15891	14.0
269.04434	2.6
269.17459	0.9
270.04657	0.8
275.19989	0.8
283.05884	0.6
283.15353	2.1
284.15875	0.8
285.16922	25.1
286.17496	0.9
299.05136	0.7
301.16571	1.6
301.28931	0.7
309.17215	0.8
329.21228	0.8
385.23685	2.1
403.24625	1.4
421.25800	17.4
422.26382	1.1
425.08478	5.8
439.26840	100.0
440.27161	4.5
459.27289	8.4
461.29071	1.0
475.14072	1.4
475.26797	0.8
476.27301	2.4
477.28296	7.9
493.27957	2.6
495.29050	1.3
511.28812	0.9
638.31580	0.9
655.17816	0.9
655.32886	2.0
673.18750	3.3
674.18915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.54
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33121	0.8
53.03933	0.9
55.05503	10.6
57.03430	5.1
57.06792	1.4
57.07066	24.6
59.04999	0.9
59.06103	1.0
60.08159	1.1
65.03940	1.2
67.05132	1.8
67.05496	35.0
69.07062	13.6
71.04980	6.7
71.08619	18.3
74.09726	0.9
79.05477	13.4
81.07044	30.7
83.04975	2.3
83.08609	12.7
85.06531	2.3
85.10170	8.7
89.06023	1.6
91.05455	11.2
92.59875	1.0
93.07030	16.4
95.04939	2.5
95.08595	18.8
97.06517	4.9
97.10162	8.9
98.21516	1.3
105.07015	9.4
107.04928	1.2
107.08578	14.8
109.06499	2.4
109.10145	19.9
111.08092	1.6
111.11732	1.4
117.07007	5.0
119.08575	5.7
121.06470	1.3
121.10139	5.8
123.11683	3.9
125.09604	3.7
130.07687	0.9
131.08563	4.9
133.10117	5.8
135.08054	1.5
135.11670	2.4
137.09570	1.2
145.10081	4.4
147.11682	2.8
149.09618	3.8
149.13251	4.2
157.10109	1.3
159.11697	2.8
161.13228	1.2
163.11194	2.1
165.05406	1.4
173.11717	3.5
173.13214	1.9
177.12715	1.0
179.14287	1.1
189.11226	2.2
195.13805	1.7
199.68295	0.9
227.12712	12.5
229.14313	18.6
239.18016	1.2
239.23718	1.9
247.20731	1.3
257.19022	4.5
275.20053	12.0
293.21069	1.5
307.22675	1.0
311.25763	1.1
313.27316	34.2
314.27588	1.2
333.15610	0.9
349.23682	11.8
381.26434	1.8
467.37299	14.7
468.37299	1.1
483.36542	1.0
507.40405	100.0
508.40976	5.8
537.34631	1.0
587.46552	14.3
588.46722	1.9
605.47302	1.9
619.49243	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	672.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.4
55.05455	3.8
57.03427	3.7
57.07014	33.1
57.07319	2.1
57.07452	1.2
61.02914	13.2
61.03192	0.8
67.05489	9.2
69.03361	1.5
69.07054	7.2
69.07399	0.4
71.04932	1.0
71.05697	0.8
71.06057	0.5
71.08615	28.2
71.08970	1.3
72.08875	0.3
73.02901	4.4
74.06802	0.4
75.04462	2.3
79.05462	1.7
80.05760	0.3
80.94909	0.3
81.03408	1.6
81.07041	14.0
82.07335	0.5
83.04905	0.4
83.08606	10.8
85.02887	16.8
85.10163	16.3
85.10663	0.4
89.05971	0.7
91.03939	13.1
91.05415	1.2
93.06976	1.3
95.04907	0.8
95.08588	22.3
96.08877	0.7
97.02872	7.9
97.10150	6.0
99.04420	0.8
99.08029	0.4
99.11655	1.0
103.03911	0.4
103.07519	0.5
105.06973	0.6
107.08500	0.5
109.02807	0.5
109.10132	11.8
111.11707	1.6
113.13228	0.5
115.03864	0.7
117.06976	0.6
117.09068	0.4
119.08404	0.4
121.10078	0.8
123.10904	0.3
123.11687	4.7
125.13172	1.0
127.03036	0.5
127.03892	6.5
131.08472	0.6
133.10022	0.4
133.95032	0.3
134.10471	0.3
137.13252	2.3
139.14737	0.4
145.03897	0.6
145.04935	8.7
145.10068	0.4
151.14748	1.0
163.05981	13.9
165.16302	0.5
179.88437	0.4
188.20015	0.3
195.48303	0.4
201.82224	0.4
221.22574	1.3
239.23651	19.9
240.23903	0.6
257.24695	3.4
259.75342	0.4
275.25699	0.5
298.27344	0.4
313.27304	100.0
314.27518	3.5
331.28366	54.7
332.28717	2.5
352.88684	0.3
473.60083	0.4
475.32355	0.5
630.56165	0.3
672.31104	0.6
672.41937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05499	3.9
56.90105	0.3
57.03181	0.4
57.03430	3.7
57.07067	33.7
57.27966	0.3
58.07394	0.6
61.02916	13.0
61.58027	0.3
67.05492	9.1
69.03411	1.6
69.07058	6.4
71.04964	0.6
71.08620	28.9
71.81236	0.4
73.02567	0.4
73.02907	4.4
75.04477	1.7
79.05453	1.0
81.03397	1.0
81.07047	14.2
83.08607	10.6
84.08427	0.3
84.08964	0.3
85.02894	14.6
85.06512	0.7
85.10167	16.5
89.05997	1.0
91.03944	11.9
91.05445	1.0
93.07042	1.6
95.04947	0.6
95.08590	22.6
97.02879	6.6
97.06514	0.4
97.10152	5.3
99.04438	0.7
99.08113	0.4
99.11706	1.4
103.07550	1.0
105.07022	0.8
107.08541	0.5
109.02867	0.8
109.10149	9.8
111.11675	1.6
111.27503	0.3
115.03902	1.0
119.08532	0.5
121.10123	0.4
123.11688	4.4
125.09620	0.3
125.13246	1.1
127.03899	4.0
133.10085	0.4
135.11673	0.4
137.13286	1.8
145.04948	5.9
151.14812	1.1
154.65163	0.4
155.17903	0.4
163.05992	10.7
165.16377	0.9
181.07117	0.3
221.22597	0.7
239.23662	19.5
257.24747	3.1
298.27338	0.7
313.27319	100.0
314.27707	2.5
320.97986	0.3
331.28384	38.2
332.28702	1.0
475.32623	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	672.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80231	0.2
53.03929	1.6
55.01855	0.8
55.05505	6.1
57.03159	0.4
57.03428	4.9
57.07063	0.8
59.04980	0.5
60.29452	0.3
61.02903	0.7
63.89803	0.3
65.03908	1.1
67.05492	25.6
68.05837	0.3
69.03413	0.8
69.07057	6.9
71.04972	1.7
73.02893	0.4
73.06525	0.5
79.05479	25.2
81.03399	3.3
81.07042	27.3
82.07389	0.3
83.04969	5.2
83.08603	5.4
85.02886	1.4
85.06535	2.2
91.03918	0.3
91.05464	17.8
93.07027	32.2
94.07359	0.3
95.04953	6.7
95.08588	11.5
95.09197	0.6
97.02876	0.8
97.06513	4.1
97.10156	1.7
98.21465	0.5
99.04453	0.4
99.08075	0.8
99.28962	0.3
105.04532	0.4
105.07014	12.9
107.04933	2.1
107.08574	13.3
109.05833	0.3
109.06508	2.7
109.10127	2.1
111.08068	2.7
111.11734	0.3
113.06013	0.3
113.09646	0.4
115.05399	0.4
117.07003	4.4
119.08556	7.8
121.06485	1.5
121.10129	6.4
123.08034	1.9
123.11671	0.6
125.05939	0.3
125.09625	0.6
127.07523	0.8
128.06189	0.7
129.06981	4.9
131.08549	3.0
133.06488	0.4
133.10117	5.0
135.08011	0.9
135.11684	2.9
137.09589	0.3
137.13301	0.3
139.11142	0.5
143.08540	3.1
145.10107	3.1
147.08000	1.0
147.11661	11.7
149.09567	0.4
149.13228	9.2
151.11160	0.3
157.10040	0.4
159.11668	4.5
161.09613	1.4
161.13219	3.6
163.11145	0.6
167.14320	0.3
171.11661	8.0
177.12723	2.0
184.07318	0.4
189.12694	2.8
195.13786	2.5
207.13765	8.0
213.14854	0.5
225.14836	0.9
227.12881	0.3
263.16342	0.5
267.15857	0.3
269.17441	21.8
270.17880	0.6
281.17426	22.7
282.17798	0.9
315.94055	0.3
328.40796	0.3
351.18237	0.3
439.26773	0.3
457.29425	0.8
475.30502	100.0
476.30807	4.9
484.84595	0.3
619.35010	0.4
672.27728	0.4
694.74213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03941	1.9
55.01851	1.0
55.05504	8.5
57.03426	3.7
57.07061	0.8
58.23671	0.3
59.04994	0.5
60.82828	0.5
61.02922	1.1
65.03928	0.7
67.05498	27.9
68.05798	0.3
69.03410	1.3
69.07062	8.0
71.04984	2.5
71.08620	0.5
71.80727	0.4
73.02904	0.7
73.06547	0.5
77.03908	0.5
79.05484	26.5
81.03416	4.2
81.07048	31.2
82.07379	1.1
83.04981	5.6
83.08614	6.2
85.02901	1.5
85.06528	1.7
86.09684	0.8
91.03953	0.5
91.05470	18.9
93.07034	29.7
95.04950	8.0
95.05512	0.6
95.08593	11.1
96.27609	0.3
97.02886	1.7
97.06506	3.3
97.10168	1.8
99.04435	0.4
99.08099	0.6
105.04480	0.4
105.07018	11.8
107.04945	2.4
107.08583	12.4
109.02890	0.5
109.06491	2.8
109.10149	2.9
110.45803	0.4
111.04409	0.4
111.08075	1.7
113.09629	0.4
117.07019	4.7
119.08569	8.5
121.06509	1.4
121.10149	4.2
123.08061	1.7
123.11700	1.5
124.99999	0.5
125.09573	0.7
127.03877	0.6
127.23098	0.4
128.06224	0.4
129.06989	5.6
131.08559	3.3
133.10126	7.6
135.08043	0.5
135.11658	3.2
137.09602	0.4
143.08534	2.5
145.10106	3.1
147.08102	0.5
147.11678	11.1
149.09514	0.7
149.13252	4.3
151.11157	1.1
156.09248	0.4
157.10074	0.5
159.11681	3.4
161.09602	1.3
161.13225	3.1
163.11194	0.5
171.11653	7.7
173.04491	0.4
173.93097	0.4
177.12758	1.4
184.07310	1.9
189.12752	2.3
195.13780	3.9
207.13794	7.5
207.15619	0.5
225.14867	0.5
251.16429	0.5
269.04648	0.4
269.17456	18.4
281.17456	19.2
289.60471	0.4
417.11392	0.4
457.28668	0.5
475.30527	100.0
476.30841	4.2
544.79364	0.4
586.10669	0.4
619.34741	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	2.4
55.01820	2.6
55.05504	39.1
55.05752	2.1
57.03428	10.9
57.07067	22.4
57.07323	1.0
59.04961	1.5
61.69944	0.7
65.03909	1.1
67.05496	40.2
67.05843	1.6
67.47133	0.6
68.05785	0.7
69.03391	1.0
69.07058	58.0
69.07423	2.2
69.97374	1.2
69.97778	4.0
71.04976	3.8
71.08620	15.5
73.06497	2.7
73.73110	0.7
75.04435	1.1
79.05477	18.3
81.03406	0.9
81.07046	56.3
81.07490	1.9
82.07359	1.2
83.04969	4.7
83.08607	44.9
85.06517	3.5
85.10163	7.3
87.04446	0.8
91.05461	7.2
93.07034	29.5
95.04895	1.7
95.08592	44.1
97.06524	16.0
97.10156	25.1
99.08018	2.4
99.14545	0.6
101.05940	2.4
105.06965	3.1
107.08578	22.9
109.06464	1.2
109.10139	27.6
110.45679	0.8
111.08069	11.6
111.11691	5.9
113.05931	1.6
113.09594	1.4
115.07554	3.6
115.11124	0.9
119.08519	2.7
121.10123	26.1
122.10455	0.6
123.11695	13.8
125.09628	10.8
125.13200	1.5
129.09056	2.7
131.06964	1.1
131.08508	1.7
132.04977	0.7
133.10109	5.8
134.57961	0.8
135.11673	26.4
136.11987	1.1
137.13182	2.8
139.11143	9.5
139.14810	0.9
143.10590	1.9
145.10103	1.5
147.11612	1.9
149.12152	1.3
149.13239	15.7
151.11142	1.8
153.12726	7.2
157.12209	1.1
159.11656	0.8
163.11150	0.7
163.14815	7.9
167.14284	4.9
171.13773	1.6
173.13177	0.9
177.16293	1.3
181.15784	2.1
185.15289	1.3
205.19487	11.1
206.19850	0.8
212.52106	0.7
215.17874	3.0
219.21059	6.3
223.20531	8.5
233.18935	2.1
237.22104	11.9
238.18062	1.0
241.21669	1.1
251.19997	7.0
255.23061	3.2
269.20935	4.2
287.22128	100.0
288.22443	2.8
311.25763	18.7
312.26181	1.1
325.23697	39.4
326.24033	1.5
329.26801	48.6
330.27243	1.5
343.24762	32.6
344.25085	1.4
378.35184	0.7
385.29526	1.0
399.27365	27.1
400.27747	0.8
417.28503	3.1
487.41510	0.9
505.42413	2.0
579.46051	15.5
580.46625	1.2
597.47113	12.6
598.46716	1.0
635.48761	1.0
646.74792	0.7
653.49799	11.8
671.50909	26.0
672.51178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84061	1.0
53.03941	2.7
55.01860	7.8
55.05247	1.8
55.05500	26.8
57.03432	9.0
57.07065	1.8
59.04983	2.0
59.34483	1.0
61.02915	2.4
63.03301	1.2
65.03947	1.6
66.91192	1.2
67.05492	32.6
69.03419	9.2
69.07061	8.1
69.57257	1.0
71.04973	6.5
71.23766	2.9
73.02873	1.4
73.41619	1.1
79.05482	32.1
81.03406	42.2
81.07043	32.0
83.04974	10.6
83.08606	18.5
85.02880	7.4
85.06528	2.7
91.05468	21.5
93.07034	24.2
95.04957	20.0
95.08583	12.8
97.02879	8.9
97.06527	5.2
97.10158	22.7
99.04451	1.6
103.03890	1.2
105.07010	17.1
107.04943	17.4
107.08576	17.7
109.02848	3.5
109.06506	11.3
109.10136	10.7
111.04423	4.6
111.08057	5.7
112.34280	1.0
113.05939	1.2
115.05425	2.1
117.07005	9.2
119.04920	2.2
119.08576	14.4
121.06499	14.5
121.10133	12.3
123.04397	4.0
123.08037	5.6
123.11710	2.5
125.09615	19.8
127.03878	3.1
127.07539	1.1
128.06149	1.3
129.05457	2.7
129.06989	8.9
129.07819	1.5
131.04903	4.1
131.08542	13.9
133.06477	6.1
133.10095	8.8
135.04393	1.9
135.08015	7.4
135.11656	4.7
137.05994	1.0
137.09598	3.1
139.07516	1.3
139.11125	2.2
141.06941	2.4
142.07838	1.3
143.08554	4.4
145.06491	9.1
145.10115	7.6
147.04401	2.1
147.08070	5.8
147.11664	10.0
149.09622	6.6
153.09061	4.3
153.12749	1.5
155.08533	3.1
157.06415	3.0
157.10138	5.9
159.08037	3.9
159.11673	3.1
161.05975	1.5
161.09581	2.7
163.07591	1.6
163.11182	5.1
165.12694	2.5
167.08524	1.7
167.10616	1.7
169.10109	2.0
171.08002	2.7
171.11678	4.3
173.04555	2.7
173.09587	3.0
173.13251	1.5
175.07558	1.5
175.11206	7.7
181.10008	2.0
181.12166	1.3
185.13292	1.4
187.11162	2.3
187.14769	2.1
189.09401	1.5
189.11185	11.8
189.12691	2.1
193.12250	12.5
195.11682	2.8
197.09615	1.3
197.13234	1.5
199.11200	1.9
199.13144	1.5
201.12666	1.3
203.14307	1.2
205.12286	1.8
211.13214	8.2
213.12776	1.6
215.14291	4.3
217.12270	1.9
217.14191	1.3
219.13757	5.6
223.13188	1.3
227.12561	8.9
229.14293	2.1
231.13741	2.6
233.15367	6.9
235.13210	2.0
245.15308	1.4
249.14851	2.4
255.13724	2.5
257.04379	1.7
259.13217	2.9
267.15887	17.7
268.16226	1.2
269.04376	3.5
273.14703	8.6
273.17252	1.3
275.16382	1.9
283.15369	3.3
285.03992	2.5
285.17026	1.3
287.16190	1.7
291.08600	2.5
293.17517	2.0
319.15118	1.1
339.23010	3.2
340.72049	1.3
349.21542	5.4
355.17603	1.4
357.24329	2.6
367.22635	20.8
385.23657	30.9
386.23993	1.9
403.24680	10.8
429.21548	1.7
441.26224	10.2
459.27365	100.0
459.69455	1.1
460.27753	6.3
477.28406	91.6
478.28793	6.6
491.30096	19.2
501.28378	1.7
509.31326	13.3
514.59668	1.4
603.31049	2.3
621.32690	5.6
653.34418	3.6
671.17749	1.5
671.33661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.6
53.03937	10.5
55.01864	22.3
55.05505	43.3
57.03431	31.8
57.07066	7.3
59.04982	5.2
61.02901	2.7
61.08979	1.3
65.03925	5.1
67.05498	100.0
69.03424	48.8
69.07063	16.1
71.01333	5.8
71.04993	12.7
71.40636	3.1
73.02908	30.2
79.05483	55.4
81.03410	96.5
81.07043	46.5
82.03712	1.6
82.04165	2.3
83.01326	2.2
83.04506	2.2
83.04967	31.6
83.08612	22.3
85.02890	42.4
85.06530	5.2
87.04455	2.3
89.02399	2.0
91.05470	39.6
93.03372	2.0
93.07033	34.3
95.04960	37.5
95.08592	22.8
97.02879	42.6
97.06511	12.6
97.10153	23.7
98.07296	2.5
99.04447	10.2
99.08085	1.8
101.02354	4.9
101.76908	1.6
103.03953	2.0
105.07018	21.4
107.04949	26.6
107.08580	23.4
109.02866	27.8
109.06481	7.1
109.10143	70.9
111.04446	19.0
111.08057	10.4
113.02384	2.2
113.06054	1.7
115.03904	4.7
115.05444	2.9
116.04692	4.5
117.05432	2.2
117.06284	1.8
117.06995	10.1
119.08562	20.9
121.06481	6.2
121.10133	13.7
123.04400	15.7
123.08083	4.4
123.11720	1.8
125.05981	3.2
125.09619	24.7
127.03907	21.0
127.11153	2.9
128.06210	2.4
129.05495	11.1
129.06981	7.1
131.03395	4.9
131.08571	11.6
133.06526	2.9
133.10152	9.2
135.04399	14.4
135.08041	6.5
135.11693	11.4
137.05957	2.6
137.09584	7.6
139.03893	4.6
139.06407	1.5
139.07436	1.9
139.11179	2.0
143.03349	2.3
143.06995	3.0
143.10675	1.8
143.45741	1.5
145.04904	4.1
145.06499	3.5
145.10101	10.4
147.08038	4.5
147.11641	6.9
149.09554	8.3
151.03850	2.1
153.05478	8.6
153.09090	5.9
153.12718	3.7
155.08510	3.0
155.10666	4.3
157.08598	6.7
157.10057	7.5
161.09628	2.3
163.03882	2.3
163.11169	16.4
165.12773	1.7
171.06552	3.7
171.10202	2.3
171.11581	2.4
173.04434	16.5
173.09535	3.7
173.10219	1.9
173.11725	24.9
175.11171	7.0
181.04944	4.5
181.12183	4.2
185.08049	2.5
189.11154	6.6
191.10651	8.5
193.12213	15.4
197.11745	2.4
199.05969	5.1
199.09555	2.0
199.13283	14.5
200.13925	1.7
201.12772	1.4
201.14842	2.4
209.11705	20.1
211.13243	11.6
217.07021	5.7
217.14241	2.3
227.12720	18.2
229.12039	2.4
229.14319	47.2
245.13760	3.2
249.14786	2.0
255.15834	3.5
257.13785	2.5
265.14273	1.8
267.15854	11.6
269.04462	5.7
283.15402	24.4
283.18732	3.0
285.03970	2.4
285.14178	1.6
285.16913	7.0
301.16446	10.8
311.99054	1.5
317.21204	2.6
326.24487	1.6
327.19232	2.2
353.15988	5.2
353.23169	5.6
371.24161	4.2
383.24295	9.2
409.25705	2.7
419.24390	4.0
425.25323	1.9
427.19656	2.9
437.25287	36.2
438.26019	1.8
455.26288	6.9
477.28101	2.5
483.95337	1.8
491.25943	2.1
493.28094	2.5
509.27579	6.1
653.31152	5.6
671.32513	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	670.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.05497	3.3
57.07049	1.0
66.27911	0.4
67.05499	4.6
69.07063	7.9
69.61373	2.4
69.61817	2.2
79.05476	6.2
80.05005	41.9
81.07042	34.9
83.01318	0.5
83.08602	1.8
88.78310	0.4
91.05457	3.6
93.07032	28.1
95.04984	1.1
95.08598	12.4
96.04551	0.5
97.10151	2.0
98.20685	0.9
100.11221	0.9
105.07008	1.8
106.02929	2.8
107.08575	13.0
107.77775	0.5
109.06488	0.5
109.10141	10.8
111.11694	0.7
119.08545	1.1
121.10126	97.9
122.10362	0.8
123.11678	6.2
128.95221	0.5
133.10020	0.4
135.11676	9.5
137.13225	0.5
138.42679	0.4
149.13234	16.9
163.14812	1.9
165.05544	0.6
179.03383	9.1
197.04431	6.7
205.08647	0.5
205.19489	41.4
206.19772	0.6
217.05099	0.6
229.07277	5.1
229.80383	0.5
230.07990	1.4
240.06487	4.4
244.06047	1.3
245.06735	2.4
246.07486	2.2
256.06082	5.4
257.06622	3.6
258.07581	100.0
259.08066	2.9
259.99106	0.5
270.07553	1.0
284.09125	1.0
285.10989	0.6
287.12830	0.8
296.09125	4.8
300.13474	1.2
322.10828	0.6
326.13831	58.6
327.14139	1.7
336.12228	4.8
364.15283	1.1
378.16925	1.3
379.17728	9.3
380.13751	1.1
380.18506	18.2
384.22922	0.6
397.18820	1.4
398.19577	5.2
448.24774	30.2
449.24884	1.6
466.25851	81.0
467.26151	3.8
515.05145	0.6
629.83972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01866	0.4
57.03429	0.7
61.02922	1.0
65.03951	0.5
69.03419	2.1
70.06570	0.2
71.01350	0.2
71.04985	0.4
71.69463	0.3
73.02892	0.3
81.03422	1.0
85.02892	10.3
86.54860	0.2
87.04461	0.3
91.05465	16.3
92.05811	0.3
95.04971	1.5
97.02879	2.7
99.00803	7.4
99.04436	0.5
107.04935	5.4
109.02856	0.9
117.01836	4.8
119.04926	42.4
120.05793	1.4
120.51913	0.1
121.02867	0.6
127.03895	1.8
135.04387	0.3
137.02194	0.2
145.02969	0.2
145.04944	1.8
145.06425	0.5
146.05980	0.4
147.04405	0.3
152.06158	0.3
157.06471	0.4
161.05936	0.2
163.03894	1.3
163.06017	0.5
165.06929	0.5
166.07639	0.2
167.08572	2.3
171.08115	0.2
176.06091	0.2
177.06958	1.3
183.08051	0.2
185.09637	0.4
188.07066	0.6
189.07452	0.4
191.08562	0.2
195.08035	3.1
196.08594	0.2
198.06793	0.5
205.09662	0.2
212.08237	1.0
213.09071	100.0
214.09415	2.5
219.08022	0.2
223.07420	0.2
237.09082	1.3
239.10538	0.2
247.07484	0.4
256.95279	0.2
265.08444	0.8
278.31891	0.2
293.07974	0.6
311.09076	2.2
329.10132	3.1
433.33408	0.2
583.17346	0.2
589.06445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	2.1
57.07032	1.3
67.05499	6.9
69.07055	11.1
71.04947	0.9
71.08584	0.9
74.55580	0.7
79.05473	5.6
79.68488	0.6
81.07044	12.0
83.01295	3.5
83.08584	1.7
85.27863	0.7
91.05463	6.1
93.06507	1.0
93.07027	12.3
94.07365	0.8
95.04928	1.9
95.08582	9.8
96.08891	0.7
97.10121	0.7
97.65241	0.7
98.21476	1.8
105.03362	4.0
105.07011	10.6
107.08576	11.3
109.06482	2.1
109.10134	7.2
110.10424	0.7
117.06969	2.2
119.08576	6.0
120.08854	0.8
121.06432	3.2
121.10117	14.3
122.10429	0.8
123.08013	0.7
123.11691	7.3
124.11967	1.2
127.03884	1.2
129.06914	0.8
131.08546	4.1
133.10104	11.4
135.08011	4.4
135.11697	7.8
136.11987	1.1
137.05966	1.5
139.07492	1.0
143.08537	1.2
145.10100	3.8
147.10736	0.9
147.11671	9.9
149.09544	3.0
149.13220	2.5
153.05423	8.0
153.12680	0.9
159.08026	4.9
159.11642	3.0
161.13216	3.7
162.06694	3.7
162.13573	0.7
163.07509	7.2
165.05453	58.9
166.05783	2.1
167.07014	20.7
173.13281	1.6
175.14818	1.3
177.09085	12.9
177.16357	1.9
179.03362	2.2
179.06996	1.0
185.13171	1.0
187.07513	3.4
187.14725	1.7
189.16319	2.2
191.06979	1.2
191.17914	1.8
197.04407	2.0
199.14825	1.3
201.16339	2.7
203.06946	1.7
203.17923	10.4
205.08566	68.5
206.08888	4.5
211.09566	1.1
215.17868	2.9
217.19489	4.7
219.10159	3.6
221.11696	48.2
223.09615	100.0
224.09969	4.8
225.10156	2.0
229.08516	0.9
231.10182	1.1
237.11151	3.3
241.19490	1.6
243.21036	2.9
245.11835	1.9
257.08044	2.8
259.13327	1.0
261.22046	1.4
273.14844	1.3
285.14746	1.8
287.16385	4.6
288.16852	1.7
291.15854	16.3
295.09726	1.5
299.16339	1.6
301.14587	0.9
303.15866	5.5
305.17410	4.9
306.17813	3.3
307.18036	1.7
312.52246	0.8
314.90186	0.9
317.20865	3.5
323.27365	0.9
325.28845	2.5
334.27731	0.8
335.27283	1.1
337.28732	3.8
341.20978	0.9
343.18848	1.6
345.20364	3.6
346.20947	1.0
357.20447	1.4
359.22049	2.2
363.21616	1.7
364.22064	3.8
365.22324	2.2
371.22079	1.4
373.23495	1.7
377.22491	0.8
379.18945	1.9
433.28506	1.2
433.92230	0.9
477.33859	1.3
489.33664	7.9
507.34418	1.6
545.39783	2.2
547.37836	11.6
559.37451	1.3
565.38373	1.8
583.38855	1.2
615.43768	3.0
633.45337	2.1
651.46234	2.4
669.31824	3.2
669.46924	33.5
670.47339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01844	1.8
55.05492	2.0
56.26332	0.7
57.07060	1.7
66.49503	0.8
66.97070	0.7
67.05503	6.8
69.03414	1.2
69.07062	7.1
69.90828	0.7
71.08607	1.0
71.82011	1.2
79.05478	4.6
81.03378	0.9
81.06602	1.2
81.07049	16.9
83.01337	3.9
83.08598	1.1
91.05461	6.0
93.07040	11.7
94.07346	1.0
95.04961	7.1
95.08586	10.1
97.10146	1.5
105.03380	77.6
105.07018	7.7
106.03704	1.0
107.08590	11.8
109.06533	1.3
109.10136	12.5
114.01601	0.6
119.08578	6.1
119.11418	0.7
121.06502	1.4
121.10143	10.3
123.04467	1.1
123.11692	17.7
124.12047	1.0
131.08551	1.4
133.10101	6.3
135.11688	15.6
137.02312	3.6
137.05963	0.7
137.13216	1.5
141.01801	3.1
145.10106	1.7
147.11652	7.7
149.13251	4.4
151.03899	5.0
153.05460	2.9
155.03358	2.9
159.11601	1.4
161.13205	4.0
163.14809	1.1
165.05461	9.8
167.03374	2.8
167.07065	6.6
169.04935	1.3
173.13277	1.2
175.14830	1.5
177.09048	1.0
177.16356	2.1
179.03374	63.1
180.03664	1.0
180.28781	0.8
189.05527	0.8
189.16339	2.4
191.17950	2.2
193.04953	15.1
197.04434	59.5
198.04785	1.1
201.16344	1.9
203.17920	12.9
205.05022	0.9
205.08635	4.4
205.19493	7.1
207.06526	1.2
211.06023	2.5
217.04921	6.4
219.10214	1.0
221.04494	1.0
221.11720	3.4
223.09639	3.2
224.09962	1.0
233.11731	1.3
235.05989	2.9
237.11140	2.2
245.08054	7.4
257.08063	100.0
258.08423	2.0
259.09500	1.8
271.09589	13.0
280.07330	1.1
281.08041	1.0
283.09814	1.0
287.16406	3.3
289.17816	2.1
295.09634	18.2
299.12659	1.4
301.14212	1.0
309.11191	1.9
323.12753	11.6
325.14270	10.3
337.14328	3.3
339.30331	2.1
351.16101	1.3
359.22159	1.6
365.17337	1.8
377.17560	1.7
379.19012	66.0
380.19299	3.1
391.18854	1.2
393.20453	4.5
491.35147	2.4
499.28067	2.2
581.36102	1.4
583.37799	17.9
584.37946	1.4
595.37518	1.3
633.45404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.291
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05507	0.3
55.28744	0.2
64.33468	0.2
66.92673	0.2
67.05493	0.7
69.07064	0.2
71.79664	0.4
79.05483	0.4
81.07053	0.6
87.04391	0.3
93.07017	0.5
95.08602	0.4
105.07046	0.6
107.08643	0.3
121.10120	0.4
131.68671	0.2
140.15604	0.2
145.10184	0.3
172.03902	0.3
184.07272	0.4
204.06528	0.3
222.00096	0.3
238.82700	0.2
239.11765	0.4
257.06268	0.2
278.60104	0.2
337.11856	0.2
362.15656	0.3
375.16431	0.3
376.16974	0.4
377.17676	1.1
378.18469	0.4
379.19489	0.5
390.18680	0.5
391.15378	0.3
391.19342	2.3
392.19888	1.0
393.20761	1.3
394.21057	0.4
403.19653	0.3
404.16266	0.7
404.20450	0.5
405.16357	2.7
405.20941	1.2
406.17776	0.8
406.21664	0.9
407.17685	0.3
407.22397	4.1
408.22864	0.4
417.16800	0.5
418.17487	1.8
419.18433	4.9
420.19009	2.3
421.20181	1.9
422.20972	0.3
431.18597	0.5
432.19424	0.7
433.20334	11.8
434.21094	6.5
435.21829	6.1
436.22495	0.5
445.20313	0.3
446.21265	0.5
447.18066	2.0
447.22568	1.2
448.18210	0.5
449.19638	2.0
450.20578	0.4
451.21140	0.9
453.22748	0.4
461.18933	1.6
462.20279	2.7
463.21478	2.6
464.22354	0.6
465.23544	0.4
473.19669	0.3
475.21518	1.2
476.21829	0.3
477.23267	0.4
478.19672	0.4
479.20157	2.1
489.22900	1.0
490.20001	0.7
491.20459	1.1
493.21857	2.5
494.22952	0.4
495.23956	0.3
503.20749	0.3
505.22205	1.2
506.23102	0.6
507.24323	0.6
517.22522	0.7
520.24799	1.5
521.25714	8.3
522.23224	1.0
523.23120	1.1
531.24255	0.3
533.22131	0.4
535.23523	0.5
548.23950	0.8
549.24976	10.2
550.25330	0.7
551.22931	0.5
552.23700	0.8
565.24261	2.3
566.24554	0.3
567.22974	0.4
577.24365	8.8
578.24805	0.8
579.23315	0.4
580.26874	1.8
581.27789	1.9
591.26093	0.4
609.27081	6.7
610.27423	0.7
612.25562	0.6
625.26355	0.7
637.26398	5.7
638.27155	0.5
669.29071	100.0
670.29407	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05402	0.3
53.06153	0.2
57.07063	0.2
67.05482	0.9
69.07039	0.4
71.81232	0.3
75.04469	0.6
79.05497	0.7
79.54297	0.2
81.03423	0.5
81.07039	0.5
83.08591	0.3
88.50844	0.2
91.05465	0.7
93.07032	0.6
95.08569	0.6
105.06982	0.3
107.08610	0.6
109.10145	0.3
115.51450	0.2
121.10151	0.5
131.08519	0.3
135.11684	0.4
172.07481	0.3
204.06567	0.3
278.10242	0.2
328.14545	0.3
330.96353	0.3
352.14255	0.3
363.16199	0.3
375.15720	0.4
376.17184	0.3
377.17682	1.1
378.18210	0.5
389.17590	0.5
391.15070	0.6
391.19821	1.3
392.19980	0.4
393.20779	3.3
394.21539	0.4
403.19504	0.5
404.15720	0.4
404.20355	0.6
405.16351	1.8
405.21487	0.6
406.17090	0.5
406.21692	0.7
407.18335	0.5
407.22980	0.4
415.19788	0.3
418.17645	0.6
419.18469	3.7
420.19214	2.7
421.20135	5.3
421.25305	0.4
422.20868	0.7
431.18704	0.8
432.19751	0.5
433.21024	2.6
434.16229	0.4
434.20935	1.0
435.18213	1.0
436.52298	0.3
443.18579	0.3
444.19672	0.3
445.20117	0.9
446.21152	0.3
447.17258	2.5
448.18814	3.8
449.19666	4.7
450.20374	1.0
460.18878	0.3
461.19876	3.1
462.20975	1.2
463.16510	0.4
463.21594	1.1
465.23111	0.3
472.18753	0.3
473.19867	1.4
475.22238	1.4
476.17490	1.5
477.18909	3.0
478.19547	0.6
479.25116	0.5
481.21783	0.3
489.18518	1.4
490.19971	0.8
491.20844	2.1
492.21576	0.6
493.18964	0.3
493.22351	0.4
494.23221	0.6
495.24017	0.3
503.20419	1.5
504.21860	0.5
505.22092	0.4
507.24109	4.1
508.24277	0.3
517.21973	0.4
518.22906	0.3
520.24030	0.3
521.26074	0.6
522.22742	0.4
523.23248	1.0
527.37567	0.3
528.37665	1.3
529.95880	0.3
534.22302	0.4
535.23352	9.1
536.23975	0.7
549.25018	3.8
550.25592	0.9
559.23340	1.5
563.22760	14.6
564.23267	1.2
567.25317	0.9
577.24426	4.8
578.25409	1.5
579.26123	1.0
581.27496	2.5
591.22211	0.4
595.25476	3.9
596.25482	0.5
609.26965	5.8
610.26947	0.7
619.25317	0.7
623.24860	6.5
624.25183	0.7
637.26398	1.3
641.29755	1.7
651.39099	0.3
669.29083	100.0
670.29358	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	669.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42844	0.2
67.05496	0.2
69.07082	0.3
69.96805	1.1
69.97215	0.3
79.05482	0.5
81.03418	0.2
81.07053	0.4
91.05458	0.3
93.07058	0.2
267.01617	0.2
284.11813	0.2
300.11490	0.3
307.48520	0.2
326.12845	0.2
340.14197	0.2
363.16376	0.2
377.17480	0.9
378.18527	0.3
379.19391	0.7
389.17377	0.4
390.18582	0.4
391.14825	0.3
391.19397	1.6
392.20087	1.1
393.20786	1.4
394.21381	0.5
395.22623	0.3
400.17209	0.2
403.19070	0.2
404.20151	0.4
405.16370	2.4
405.21091	0.9
406.17166	1.1
406.22348	0.4
407.22549	5.4
408.22974	0.6
418.17825	0.6
419.18192	3.6
419.23492	0.4
420.19092	1.9
421.20218	4.0
423.21805	1.1
431.18881	0.5
432.19299	0.4
433.16086	1.0
433.20782	4.3
434.21179	4.1
435.21811	8.5
436.22678	1.1
437.19186	0.2
445.20047	0.3
446.21213	0.3
447.18036	2.0
447.22430	1.3
448.18985	0.9
449.19617	5.8
450.20291	0.5
451.21179	0.4
459.21802	0.7
460.22687	0.3
461.19501	1.2
461.24115	0.8
462.20242	3.5
463.21210	4.8
464.22235	1.4
465.22910	0.3
466.23642	0.3
475.21536	1.5
476.21927	0.6
477.23398	0.4
479.19937	0.9
481.21808	0.4
489.22940	1.4
490.23431	0.4
491.20618	0.3
493.21500	1.0
494.22974	0.4
495.24054	0.6
503.20731	0.3
505.21942	0.5
506.23096	0.3
507.20679	0.8
509.22089	0.8
517.22443	0.3
521.25763	10.1
522.23364	1.1
523.22797	1.0
528.37842	0.4
534.22754	0.2
535.23206	1.2
536.24139	0.2
547.26953	0.6
549.24945	23.6
550.25226	1.9
551.25195	0.3
553.27869	0.3
567.23126	0.6
577.24670	1.0
578.24335	0.3
581.27777	4.8
582.27960	0.3
591.26141	0.4
609.27039	16.3
610.27228	1.5
643.73285	0.2
669.29120	100.0
670.29364	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	668.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.9
55.01841	1.7
55.05499	7.1
57.03426	11.5
59.04995	3.0
61.02900	1.2
65.03901	1.0
65.35229	0.6
67.05494	55.9
68.69331	0.5
69.03419	2.4
69.07056	2.9
70.06586	0.5
70.47090	0.4
70.91290	0.5
71.04989	3.9
71.08604	0.5
71.79432	0.8
73.02908	0.7
79.05479	8.1
81.03405	45.7
81.07042	14.9
83.04964	2.9
83.08123	0.9
83.08605	14.3
85.02885	2.3
85.06535	2.4
87.04422	0.9
91.03920	1.1
91.04950	0.9
91.05462	11.7
93.06526	0.6
93.07028	7.2
95.04951	14.4
95.08586	6.4
97.02872	2.7
97.06500	2.1
97.10131	1.5
99.04370	0.9
99.08036	0.6
105.07011	7.8
107.04931	3.8
107.08578	3.9
109.02834	1.4
109.06462	1.7
109.10138	58.7
110.10439	0.7
111.04404	1.1
111.08061	7.4
113.05952	0.5
115.05429	0.7
117.06969	2.0
119.04902	0.9
119.07764	0.7
119.08567	12.2
121.06490	2.3
121.10127	4.0
123.04386	1.0
123.08030	1.7
123.11713	0.5
123.76577	0.5
125.09605	1.5
127.03875	0.8
127.11151	0.5
129.06985	5.2
131.04890	0.5
131.08562	5.0
133.06436	2.0
133.10098	3.8
135.07986	0.8
135.11674	1.3
137.09593	4.3
139.03839	1.1
142.07710	1.2
143.08537	0.7
145.10054	1.8
147.04364	0.7
147.08015	2.3
147.11659	4.7
149.09595	3.7
155.10620	4.1
157.10109	6.5
161.09621	1.0
163.11143	1.6
165.12732	1.3
173.11713	21.5
175.11159	6.5
177.05414	0.7
181.12061	0.5
184.07280	1.0
189.11028	0.6
191.10588	0.5
193.12225	16.8
198.03040	0.5
203.10611	0.5
207.13759	0.5
211.13246	2.2
217.12143	0.5
223.13211	0.5
229.14317	83.4
230.14629	1.0
235.13272	0.7
249.14844	2.0
267.15872	77.4
268.16226	2.0
285.03796	0.6
286.57233	0.5
299.18494	0.6
301.14316	0.7
309.17001	0.7
329.21036	2.3
339.28775	0.9
347.22134	1.0
403.24753	9.6
421.25800	100.0
422.26053	2.6
463.26889	1.9
517.28229	1.0
529.27856	1.2
547.28650	1.5
565.29706	0.7
668.33807	1.4
669.34021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56934	2.9
51.72822	3.0
52.06381	3.9
53.03942	4.2
55.05490	14.2
55.86372	3.7
57.03443	4.2
57.07055	8.6
64.39148	3.3
67.05483	30.2
68.86529	3.0
69.07058	47.9
71.04977	10.0
71.82108	5.7
79.05489	19.7
81.07049	44.6
83.01325	7.3
91.05466	36.5
93.07033	48.4
95.04927	9.5
95.08588	45.5
105.03384	21.0
105.07014	61.9
107.04932	3.9
107.08586	48.0
109.06508	5.5
109.10143	74.6
110.42831	4.0
117.06934	4.8
119.08564	52.0
121.06471	4.9
121.10142	26.3
123.11654	26.2
127.11143	4.1
131.08536	11.1
133.10115	35.2
135.08029	8.6
135.11690	26.0
144.12367	4.0
145.10081	15.7
147.11674	75.8
149.09589	8.5
151.07466	4.6
153.05457	12.0
155.08766	4.4
157.09979	3.7
159.08041	8.0
159.11696	7.0
161.13234	15.1
163.07512	9.9
165.05453	51.8
167.07033	13.5
169.05002	4.7
173.13164	3.4
175.07655	3.9
175.11189	3.3
175.14859	3.4
177.05495	9.9
177.09081	17.3
179.03307	21.1
187.07492	4.5
189.09155	8.2
191.07040	7.2
197.04536	16.8
197.76822	3.3
201.16371	25.1
203.06982	10.4
203.17928	99.5
205.08569	77.8
208.70088	3.2
217.08501	7.9
219.10124	11.7
219.17467	3.4
221.08162	4.4
221.11655	16.2
223.09619	100.0
223.11861	5.9
231.10039	5.9
235.05997	4.5
235.09506	17.8
237.11137	6.7
241.08644	4.5
243.10078	11.2
245.11734	5.2
257.08032	42.8
259.13199	8.4
261.11218	6.0
271.24118	5.1
277.14267	8.2
286.87024	4.7
287.16391	31.9
289.14429	6.6
291.15732	6.8
305.17432	13.6
307.15054	5.6
311.12650	3.8
327.19489	4.4
341.21292	4.9
343.22742	23.4
345.20575	60.4
357.20551	4.2
361.19955	8.6
363.21588	79.8
379.19031	18.7
389.23026	6.0
397.19891	15.1
413.26700	7.0
431.27783	21.6
511.34128	5.6
521.51959	4.0
581.37787	5.6
592.80103	4.2
602.32996	4.1
667.36163	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	667.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.2
55.01865	2.3
55.05508	15.1
57.07054	7.5
59.04980	3.4
65.03925	2.0
67.05491	24.6
69.03416	4.9
69.07061	60.7
69.77482	11.9
70.07382	2.2
71.04974	6.2
75.04455	3.7
79.05478	18.8
81.03417	1.6
81.07047	82.6
82.07365	2.5
82.40630	1.7
83.01324	7.6
83.04969	3.7
83.08599	5.2
85.06523	7.8
91.05462	19.5
93.06425	2.3
93.07027	39.0
94.07371	2.2
95.04949	8.3
95.08599	39.8
97.06504	4.0
97.10157	3.2
98.20724	3.2
101.05988	3.3
105.03379	7.0
105.07011	30.5
107.04964	2.0
107.08585	36.3
109.06490	6.4
109.09412	3.1
109.10144	51.7
111.08105	3.0
111.11708	3.9
112.66405	1.7
117.06981	5.7
119.08571	18.9
121.06479	6.4
121.10129	32.1
123.08057	4.1
123.11677	20.8
125.05965	2.2
125.09550	2.1
127.03969	2.1
127.11187	12.9
128.06120	1.8
128.37415	2.1
129.06992	2.4
131.08542	11.6
133.10109	21.0
135.08025	7.9
135.10754	2.7
135.11676	28.7
136.12061	2.2
137.05965	4.2
137.13190	5.2
139.11128	3.8
142.07738	2.3
143.08516	4.1
144.09380	1.9
145.06406	2.3
145.10097	14.2
147.08047	1.9
147.11647	20.7
149.05948	3.8
149.09584	6.8
149.13216	3.5
151.03802	2.3
151.07549	3.4
151.11143	6.5
153.05437	26.8
153.12679	2.1
154.05687	1.9
155.10600	2.1
157.10078	5.8
159.08037	6.6
159.11629	9.0
161.05916	2.5
161.09618	4.2
161.13206	6.0
162.06725	6.4
162.69635	2.0
163.07527	10.6
163.11186	3.6
163.14758	2.0
165.05453	44.9
166.05856	1.7
167.07019	11.1
169.04951	6.0
171.11668	4.2
171.25366	1.8
173.09595	3.0
173.13254	3.5
175.07498	3.1
175.14746	2.0
177.05499	11.2
177.09090	17.5
179.03372	4.8
179.07056	3.8
181.04909	3.7
181.08539	2.2
183.11761	2.0
185.09589	2.7
187.07491	5.6
187.11157	2.7
189.05405	7.4
189.09087	3.5
189.16408	4.9
190.06270	1.8
191.03351	2.1
191.07007	12.3
191.10669	2.4
191.14505	1.8
193.04918	2.4
193.08588	3.0
197.04395	3.6
201.16356	11.2
203.07027	9.9
203.17947	18.9
204.07669	2.8
205.08572	73.0
205.15776	2.5
207.10083	3.7
213.09195	1.7
213.16472	1.9
215.07167	2.6
215.10657	2.4
217.08566	5.2
219.06456	2.7
219.10124	10.6
219.17366	4.8
220.10498	3.1
221.08055	5.9
221.11676	14.2
223.09616	100.0
225.09203	1.8
227.10649	1.8
229.08623	8.6
229.12218	1.8
231.10109	6.5
233.11691	3.5
235.09500	4.5
237.11195	6.4
238.11543	3.1
243.06404	1.9
243.10179	8.8
245.11671	6.0
247.09612	8.6
257.08017	4.5
257.11838	2.3
259.13336	4.4
261.11185	4.3
269.08319	1.7
269.11627	2.7
271.13278	7.0
273.11734	1.7
273.14709	2.6
275.12970	2.6
277.14102	2.2
283.13177	4.9
285.14825	2.8
287.13297	3.0
287.16284	16.6
289.14185	4.8
289.17252	2.2
291.15741	3.7
299.12833	2.2
299.16367	5.5
301.14420	11.4
303.15872	4.0
305.17566	9.6
313.17969	1.8
315.15915	3.0
319.50751	1.7
325.17950	2.6
327.15872	2.6
327.19360	3.8
331.19119	2.6
343.18900	3.0
343.22687	3.7
345.20554	15.3
353.21024	3.1
357.20590	9.7
359.22220	2.7
363.21515	15.3
371.21542	2.2
383.21851	2.9
427.24512	2.1
429.26221	4.1
431.27853	1.8
445.25699	2.3
459.27487	2.3
463.26968	11.1
471.27167	4.1
473.19650	2.3
491.20972	2.5
493.33035	3.1
505.21732	2.2
531.32599	7.2
561.25122	3.1
561.39075	2.0
563.37207	3.9
581.37823	3.0
631.43842	3.1
635.28784	2.7
649.44531	3.0
667.31140	33.8
667.45880	4.9
668.31323	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	667.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.05502	7.1
57.07075	4.8
65.03933	1.4
67.05497	15.6
68.44438	0.9
69.03412	1.5
69.07061	25.4
69.53823	8.4
71.04978	5.0
77.03966	1.1
79.05481	10.8
81.07043	25.6
83.01326	3.0
83.08593	3.4
85.06539	1.4
85.07138	0.7
87.66795	0.8
91.05467	18.9
93.07031	32.4
94.07375	1.7
95.04943	4.5
95.08591	24.1
95.21538	0.8
97.06506	2.7
97.10177	2.1
98.20602	1.5
103.05460	1.1
105.03404	3.3
105.07018	27.0
106.07345	1.6
107.04914	1.1
107.08576	30.9
107.90298	0.9
109.06506	3.0
109.10139	26.9
110.10511	1.0
117.06992	3.1
119.08565	21.4
121.06498	2.7
121.10130	17.9
123.08060	2.4
123.11688	30.5
124.12007	1.2
129.06978	2.4
131.08568	7.1
133.06430	0.9
133.10114	18.3
134.10422	1.2
135.08020	4.3
135.11678	30.7
136.12035	1.6
137.05983	2.1
137.09625	1.1
137.13229	1.7
141.05437	1.1
143.08549	2.4
145.06465	0.8
145.10127	10.1
147.08017	1.0
147.11670	25.6
148.12061	1.6
149.06018	1.0
149.09637	4.0
149.13249	3.7
153.05435	14.4
153.12727	3.7
157.10146	1.6
159.08058	4.0
159.11667	7.1
161.13240	5.8
162.06775	2.3
163.07497	7.4
163.11203	3.2
163.14754	1.1
165.05458	52.0
166.05908	1.3
167.07045	6.2
167.10786	1.0
169.04955	1.3
173.13268	2.6
175.14810	2.1
177.05504	2.9
177.09090	14.6
177.12764	1.1
177.16376	1.2
179.03326	4.9
179.07025	1.8
181.08607	1.0
185.13248	1.7
187.07539	3.2
187.14803	2.6
189.05531	1.0
189.16386	3.4
191.07062	2.8
193.08551	1.5
197.04431	2.7
201.09090	1.1
201.16408	5.5
203.07010	1.8
203.17943	23.7
205.08578	66.4
205.15836	1.1
206.08926	1.2
211.09581	1.4
215.17926	2.8
217.08553	1.8
219.10121	9.8
219.17409	7.4
220.10461	1.0
221.08119	2.3
221.11729	12.5
223.09622	100.0
224.09978	1.5
229.08549	1.4
231.10048	1.5
237.11139	7.8
238.11485	2.6
241.08495	1.3
245.11690	1.8
257.08054	6.1
261.11115	1.5
269.15567	0.9
271.24213	7.5
273.14740	1.4
273.25089	0.9
275.16354	1.8
283.13266	1.2
285.14923	2.2
287.13171	1.7
287.16400	19.2
288.16711	1.3
289.14243	2.5
291.15891	3.7
297.14691	0.9
301.14279	1.1
303.16034	3.0
305.17432	47.5
306.17578	1.1
317.20844	1.6
319.15137	1.2
325.17865	1.3
327.19678	1.6
337.29163	1.0
341.21289	1.1
343.18933	3.9
343.22705	5.5
345.16595	1.4
345.20587	19.3
353.17264	1.1
357.20551	3.6
359.22183	5.6
359.29413	2.5
360.22412	1.4
361.19922	8.0
361.23495	1.2
362.20776	2.2
363.21603	43.7
371.21967	1.3
375.21536	10.5
377.23157	1.6
389.23276	4.8
401.00064	1.1
411.25293	2.0
413.26660	6.0
429.26205	5.7
431.27875	6.5
447.27356	16.5
459.27228	3.2
493.32794	1.4
505.33215	1.0
509.35800	1.7
515.33783	2.0
527.35681	1.0
529.34766	1.0
547.37695	2.1
563.37042	1.2
565.38953	2.3
579.40094	1.0
581.37842	5.9
597.41577	1.2
599.39148	4.8
615.43610	1.8
631.43707	1.7
633.44531	2.1
635.28601	1.8
649.46130	4.6
667.31232	4.7
667.45251	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.05289	1.3
55.05508	12.2
57.07053	5.1
67.05494	17.5
69.03414	1.7
69.06707	1.8
69.07060	31.9
69.49373	12.5
69.49782	4.0
71.04971	3.9
76.68932	1.7
77.39255	1.5
79.05481	20.0
81.07047	33.4
83.01337	3.9
83.04956	2.7
83.08601	6.4
85.06538	3.0
89.92186	1.6
91.05464	23.3
93.07030	62.2
93.10635	1.7
93.83205	1.6
95.04950	6.1
95.08591	38.7
97.06498	3.8
97.10162	5.5
103.05428	1.8
105.03365	4.8
105.07018	31.0
107.08578	86.0
109.06484	8.5
109.10139	22.0
109.12107	1.5
111.04440	2.0
113.05986	2.1
114.79043	1.5
117.07016	6.5
119.08569	23.8
121.06464	4.7
121.10133	34.5
123.08021	5.2
123.11697	25.8
125.09604	3.5
130.07726	2.5
131.08545	14.2
133.10110	20.6
135.08025	6.3
135.11674	100.0
137.05923	3.1
137.09659	1.7
137.13240	6.3
143.08527	5.0
145.10120	23.4
147.11676	14.7
149.09586	6.2
149.13229	8.6
151.11243	1.8
153.05432	15.9
153.12708	5.0
155.08568	2.1
157.10068	4.1
159.08046	5.8
159.11658	17.5
161.09607	4.2
161.13240	9.6
162.06779	3.5
163.07489	8.0
163.11160	6.0
163.14807	4.8
165.05453	49.9
166.05791	2.1
167.03299	1.6
167.06981	5.6
173.09636	2.9
173.13332	7.8
175.07515	2.3
175.14824	5.0
177.05406	3.3
177.09064	17.5
177.12700	2.7
177.16359	14.6
179.03343	3.2
180.04585	1.5
181.08557	2.7
185.13239	3.2
187.07492	5.0
187.11131	2.4
187.14804	6.4
189.09065	3.8
189.11005	1.7
189.12611	3.1
189.16356	6.7
191.07011	3.7
191.17943	2.2
193.08615	2.4
197.04466	3.3
197.09659	1.7
197.13217	3.2
199.14725	2.8
201.09041	2.2
201.16374	31.3
203.06952	2.4
203.14212	1.7
203.17937	6.5
205.08571	76.3
205.10522	3.7
205.15898	2.4
207.17397	3.1
211.14677	1.9
213.12776	1.9
213.16209	1.8
217.08542	2.5
217.15790	2.6
219.06523	5.6
219.10086	5.0
219.17415	96.8
220.10344	2.6
221.11694	21.8
223.09621	84.3
227.12721	4.8
228.13174	2.5
231.13829	5.2
235.09480	3.3
237.11249	3.5
243.10147	3.8
249.14815	5.2
257.08038	6.8
259.17062	1.9
261.11133	2.6
267.13907	2.4
279.15817	2.5
283.20270	1.7
285.14893	2.3
287.16342	15.3
289.14307	3.2
291.15915	10.6
297.18378	3.1
303.15915	3.4
305.17404	5.0
323.96213	1.6
325.18018	2.7
327.19235	2.2
343.19028	2.5
345.20587	36.9
353.21112	10.1
357.20453	4.5
359.22214	6.4
361.19955	2.9
363.21680	10.7
371.22131	9.1
395.29495	2.9
409.27356	3.2
411.25220	9.3
413.26825	4.3
419.29230	2.4
425.26810	2.8
427.24564	2.0
429.26315	19.1
431.27930	2.5
437.30493	4.6
441.26096	6.5
447.27209	4.4
455.31104	2.2
475.31876	2.1
493.32916	3.1
497.32489	5.4
511.34271	2.2
545.35748	3.0
561.39203	3.3
563.36816	9.7
581.38171	8.0
587.44061	1.9
613.42108	4.5
631.43915	7.1
649.44464	12.7
667.45575	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	667.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07749	0.9
53.03927	1.6
55.05503	7.6
57.07067	5.1
64.74715	0.9
65.03928	2.1
65.09883	0.8
65.95088	0.9
67.05496	16.9
69.03438	1.2
69.07059	30.9
71.04978	4.4
71.08595	1.3
73.02910	1.2
79.05479	14.8
81.07045	26.7
82.87781	1.0
83.01324	2.5
83.04975	0.9
83.08612	3.1
89.06026	3.1
91.05462	27.1
93.07032	27.0
95.04964	3.0
95.08591	29.3
97.06511	1.4
97.10188	2.4
103.05463	1.2
105.03384	1.6
105.07015	60.5
106.07333	1.2
107.08578	26.1
109.06515	2.5
109.09397	2.3
109.10136	39.3
109.10876	2.0
110.10489	1.1
111.08041	1.0
111.11697	2.2
117.06985	3.2
119.08557	42.2
121.06496	3.1
121.10124	20.4
123.08050	1.3
123.11687	17.2
127.11182	2.0
131.08533	8.9
133.08612	1.3
133.10106	28.2
133.69467	0.9
135.08031	3.8
135.11671	17.4
135.12639	1.4
137.05952	1.9
141.05476	2.0
143.08572	2.6
145.10103	11.6
147.11662	100.0
148.12009	1.9
149.05849	1.0
149.09598	2.4
149.13232	2.2
151.07564	1.2
153.05458	20.8
153.12708	1.2
157.10188	2.1
159.08051	3.9
159.11659	6.5
161.06007	1.4
161.09637	1.4
161.13249	11.8
162.06763	2.2
163.07521	4.2
165.05460	22.8
167.07007	12.3
169.04890	1.1
169.10095	1.1
171.08151	1.1
173.09622	1.0
173.13284	1.1
175.07576	2.2
175.14798	3.7
177.05481	5.6
177.09103	11.3
179.03339	1.4
179.07074	3.7
181.08517	1.6
185.13367	1.4
187.07542	2.6
187.14839	2.7
189.05510	1.7
189.09077	4.8
191.06999	12.1
191.10594	1.3
192.07764	1.1
193.08679	2.3
195.60452	1.0
199.14851	1.6
201.16359	19.7
203.07079	4.1
203.10779	1.4
203.17921	96.5
204.18256	3.0
205.08571	46.7
207.10168	4.7
211.09583	2.3
215.10667	1.3
216.07837	1.1
217.08583	4.1
217.15875	1.3
219.10114	16.1
219.17383	1.6
221.08163	2.3
221.11667	8.0
223.09622	57.4
229.08467	2.1
231.10172	4.0
231.13847	1.1
233.11615	2.3
235.09494	6.0
237.11217	4.3
243.10173	5.2
245.11694	2.3
247.13214	1.1
259.13229	4.9
261.11127	5.8
271.13312	1.5
273.14828	1.7
275.13406	1.7
275.16357	9.1
277.14310	6.1
287.16367	22.3
289.14349	3.9
289.17941	2.4
291.15894	1.9
303.15778	1.1
305.17352	11.2
327.19537	2.7
337.21536	1.2
343.19153	1.2
343.22766	11.3
345.20547	40.2
345.24759	2.1
353.28421	2.5
355.22733	1.3
357.20425	2.6
359.22144	2.0
360.22284	1.0
361.20004	3.5
363.21616	37.3
431.27853	3.9
475.32001	1.4
477.33630	2.4
493.33084	3.0
505.33176	3.2
511.34613	1.2
523.34125	3.9
545.37158	1.0
563.37219	11.6
565.39240	1.4
581.37811	2.7
633.44525	1.7
649.46381	1.7
667.44531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06845	1.1
53.03941	2.2
55.05497	7.3
57.07074	8.0
61.67547	1.4
65.03916	1.6
66.52345	1.4
67.05487	13.6
69.07059	24.9
70.07372	2.0
71.04996	8.5
71.41900	1.8
71.42224	1.4
78.35401	1.4
78.75821	1.3
79.05487	11.3
80.05812	2.8
81.07045	39.0
81.78060	1.2
82.07377	3.8
83.01318	6.6
83.04982	1.6
83.08590	4.4
91.05463	16.7
92.05779	1.5
93.06499	2.4
93.07030	27.9
94.07362	2.8
95.04950	5.7
95.08601	27.5
96.08909	2.0
97.06487	2.3
105.03370	6.5
105.07022	26.2
106.07347	2.5
107.04981	1.9
107.08580	33.9
108.08877	3.9
109.02827	1.6
109.06492	4.8
109.10149	22.9
110.10483	1.9
112.71035	1.3
116.52998	1.2
117.07006	3.5
119.08565	18.1
120.08902	3.1
121.06461	4.3
121.09282	2.2
121.10128	24.5
122.10443	4.0
123.08022	2.4
123.11691	63.5
124.12014	3.1
125.09575	1.8
127.03913	1.5
127.11150	5.3
131.08551	9.4
133.06480	1.6
133.10123	16.6
134.10426	4.1
135.08018	5.5
135.11685	31.5
136.12044	3.3
137.05949	3.9
137.13210	3.3
143.08601	2.2
145.10095	9.2
146.10570	1.3
147.10567	1.9
147.11665	22.6
148.11989	4.2
149.05923	1.6
149.09584	5.3
149.13252	4.1
153.05443	45.8
154.05833	1.6
157.10095	2.8
159.08046	5.3
159.11641	8.5
161.13242	5.7
162.06758	3.5
162.13643	1.7
163.07533	8.7
163.11145	4.5
163.14789	3.4
165.05460	73.0
166.05821	3.4
167.07027	13.1
171.11678	1.6
173.09695	1.9
173.13249	5.3
175.14845	5.4
177.05511	2.5
177.09071	19.3
177.16397	1.4
178.09404	1.8
179.03343	7.4
185.13264	2.0
187.07487	4.0
187.14786	5.1
188.15092	2.1
189.09117	1.6
189.16324	4.6
191.07054	3.3
193.08466	2.3
195.10020	2.0
197.04434	6.3
199.14749	2.4
201.16338	5.8
203.07024	3.5
203.17966	11.0
204.18282	4.3
205.08577	80.1
206.08904	3.3
215.17879	2.7
217.08536	2.0
217.15907	3.3
219.10143	13.3
219.17381	4.2
220.10509	4.1
221.08255	1.6
221.11681	30.2
221.15160	1.7
223.09618	100.0
224.09895	3.1
229.08586	2.3
235.09612	2.3
237.11159	14.9
238.11545	5.0
239.11771	1.8
243.10159	1.8
257.08093	10.0
257.10654	1.6
257.11551	1.2
269.22702	1.7
271.24176	3.9
272.24536	3.3
273.25073	1.5
275.16269	7.0
285.14819	2.2
287.16367	17.6
289.14102	3.6
290.25497	1.9
291.15863	10.8
298.20313	1.8
303.15964	3.1
305.17453	33.5
306.17780	2.6
323.27289	4.1
327.19421	1.8
341.28336	16.5
343.18787	2.9
343.22562	5.1
344.19440	1.6
345.20560	22.1
353.28275	2.4
357.20151	1.7
359.22430	8.2
359.29373	35.5
360.22479	7.2
361.22949	4.4
363.21622	28.0
364.21582	1.6
371.21979	2.1
371.29282	2.2
375.21664	4.3
379.18866	2.5
397.19946	2.6
413.26639	3.1
429.26135	2.3
429.77032	1.6
431.27948	4.4
447.27206	4.4
491.35196	2.6
493.32837	3.3
505.33078	3.1
509.35190	2.8
511.33594	2.6
523.34052	2.4
526.35614	2.3
527.35986	4.0
549.37921	1.4
551.78931	1.7
563.36829	10.1
581.37964	9.8
587.33136	1.6
593.38251	2.0
617.30804	1.6
631.44763	4.6
649.47339	18.8
667.46075	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	667.456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03937	2.8
55.05504	9.7
57.07056	5.9
59.04995	1.9
67.05496	23.4
69.07061	41.0
69.49435	7.8
69.49865	7.2
70.07369	1.4
71.04974	6.1
75.04466	4.2
79.05478	15.6
81.03410	2.0
81.07044	27.9
83.01325	4.2
83.08598	3.9
85.06525	2.1
91.05469	23.0
93.07030	32.1
95.04955	5.9
95.08588	22.1
97.06512	4.8
97.10159	1.5
105.07014	34.3
107.04958	1.8
107.08588	26.7
109.06493	6.2
109.10139	33.0
109.10870	2.0
111.08060	2.3
111.11674	3.4
113.06024	1.7
117.06997	5.3
119.08567	21.7
120.71036	1.6
121.06495	5.6
121.10127	15.3
123.11703	15.2
127.03911	1.9
127.11164	2.0
129.06982	2.2
131.08549	10.1
133.10112	16.2
135.08034	6.1
135.11664	21.6
137.05965	3.5
137.13127	1.8
145.10120	8.3
147.08017	2.3
147.11679	20.8
149.05910	2.5
149.09599	6.3
149.13292	1.9
151.07547	1.6
153.05443	10.3
153.12714	2.1
157.10063	2.0
159.08018	4.3
159.11700	7.5
161.09599	3.4
161.13255	4.5
162.06726	3.7
163.07555	7.8
163.11171	5.5
165.05449	29.9
165.06801	2.2
165.10837	1.3
166.05823	1.9
167.07088	7.0
169.04991	2.3
173.09636	1.6
175.07565	2.0
175.14806	3.0
176.94939	1.4
177.05499	6.0
177.09085	15.5
179.06978	3.3
187.07523	4.1
189.09065	7.0
191.07022	5.3
193.04977	1.7
193.08568	3.6
201.08955	1.4
201.16371	4.8
203.07050	6.7
203.10573	2.1
203.17923	18.6
205.08566	78.7
206.09021	1.9
207.10110	2.9
217.08556	7.5
219.10075	11.7
219.17459	7.6
220.10431	2.2
221.08101	3.2
221.11757	9.8
223.09616	100.0
224.09956	2.3
229.08562	2.5
231.10092	2.6
235.09660	14.7
237.11176	4.6
238.11421	1.7
243.10156	10.0
245.11609	3.1
247.09676	2.4
257.08148	1.5
257.11789	1.9
259.13245	6.5
261.11136	9.7
269.15341	1.6
271.13254	1.6
275.12595	1.8
275.16357	4.7
277.14337	7.9
287.16397	21.5
288.16797	1.9
289.14276	2.3
289.17520	1.5
291.15900	3.9
305.17404	15.4
307.15323	1.5
327.19449	3.5
343.18961	1.5
343.22681	21.0
344.22940	2.7
345.16534	2.9
345.20544	48.7
357.20660	1.6
359.22321	1.7
361.20062	4.8
362.20770	2.8
363.21603	88.8
364.21927	3.8
375.21823	1.9
377.23126	1.6
378.23563	1.8
413.27106	2.4
429.26440	1.9
431.27939	20.8
511.34216	1.7
563.36914	2.5
579.40979	1.4
599.39630	2.0
631.43829	1.8
649.44354	2.9
667.30542	6.7
667.45685	4.2
668.30829	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	667.3292
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03931	0.6
55.01873	0.7
55.05507	1.6
57.03428	2.3
59.98570	0.3
61.02918	3.7
67.05498	4.9
69.03424	3.0
69.07051	1.4
71.01334	0.5
71.04986	0.9
71.20597	0.4
71.20936	0.5
73.02906	3.3
73.81666	0.2
79.05486	4.2
81.03407	5.9
81.07047	3.8
83.04970	1.7
83.08600	1.1
85.02898	5.4
85.06548	0.6
87.04478	0.3
91.03948	2.3
91.05457	3.1
93.07031	4.8
95.04951	1.8
95.08585	1.3
97.02879	3.8
97.06537	1.4
97.10156	1.1
99.04447	1.1
101.02380	1.6
103.03935	0.5
105.07021	2.3
107.04964	0.6
107.08592	3.2
107.57575	0.2
109.02885	1.0
109.06544	0.5
109.10141	1.2
111.04436	0.5
111.08037	0.5
117.07005	0.8
119.08567	2.1
121.06484	0.7
121.10128	1.3
123.04397	0.3
123.08088	0.6
127.03913	1.7
129.06993	0.7
131.08560	0.8
133.10121	1.1
135.11681	5.1
137.09630	0.2
145.04980	0.4
145.10120	1.5
147.11710	1.0
151.07515	0.3
157.10141	1.0
163.11179	1.1
167.06976	0.3
173.09590	0.3
175.11229	0.6
177.05453	0.4
178.73344	0.2
181.12231	0.5
185.04225	0.5
193.12294	1.0
203.05338	0.4
211.13351	0.8
221.11530	1.2
221.15179	0.3
239.16342	0.4
243.08414	2.4
251.12589	1.2
255.16025	0.6
267.15997	0.3
275.79895	0.3
277.14069	0.7
281.17563	0.3
295.15573	0.2
295.18890	0.3
307.15179	0.6
308.47443	0.3
344.64914	0.3
439.19385	11.8
440.19922	0.4
469.20428	5.4
651.85028	0.3
667.32904	100.0
668.33252	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	667.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23055	0.4
53.03938	0.4
55.05502	1.3
57.07069	1.7
58.01609	0.4
58.09665	0.4
67.05492	2.4
69.07060	5.4
70.07403	0.6
71.04982	0.7
73.83294	0.4
75.04474	7.0
79.05489	1.6
81.07044	5.7
82.07396	0.7
83.01352	0.9
83.08611	0.4
85.06544	0.5
91.05474	2.2
93.07036	3.9
94.07378	0.5
95.04967	0.7
95.08601	4.1
96.08967	0.6
97.06482	0.4
104.02240	0.4
105.03369	1.0
105.06999	3.4
106.07418	0.6
107.08580	3.8
108.08910	0.5
109.06529	0.6
109.10133	5.5
110.10493	1.4
117.07018	0.5
119.08591	2.9
120.08960	0.5
121.10131	2.7
122.10479	0.4
123.04358	0.5
123.11701	2.7
125.09593	0.6
127.11192	1.7
128.11476	0.6
131.08545	1.2
133.10065	2.0
135.08104	0.6
135.11673	3.8
135.30583	0.4
137.13148	0.4
143.08542	0.5
145.10117	1.4
147.11665	2.8
149.13283	0.6
151.03687	0.4
153.05452	3.9
154.05832	0.6
157.10129	1.1
159.11670	0.9
161.09624	0.7
161.13235	0.8
163.07536	0.8
163.14833	0.5
165.05457	6.3
166.05869	1.2
167.07045	2.2
169.04956	0.5
171.11746	0.5
173.13280	0.5
175.14793	0.7
177.05481	1.7
177.09125	1.3
179.03384	1.2
187.07669	0.5
189.05467	0.5
189.16356	0.5
191.06990	0.8
191.10594	0.4
193.04810	0.4
195.09183	0.4
197.04521	1.4
201.16447	1.1
203.07109	1.0
203.17876	2.2
204.18423	0.5
205.08556	3.3
217.08617	0.5
219.10191	3.2
220.10497	1.6
221.08165	1.1
221.11815	2.4
222.12108	0.5
223.09654	4.5
231.10161	0.6
235.09639	0.6
237.11192	4.1
238.11516	2.2
249.11258	1.7
257.07959	2.1
273.14767	0.5
287.16348	1.8
288.16818	0.6
289.17245	0.5
291.16098	0.5
305.17432	0.9
307.15189	0.5
343.19092	0.4
343.22815	0.7
345.20541	1.3
357.20905	0.9
359.22083	0.8
360.22562	1.0
363.21582	0.5
371.22226	1.5
378.23483	0.7
389.17719	0.9
389.22931	0.6
395.18326	0.4
401.18054	0.6
402.18774	0.9
403.19229	1.4
404.19995	0.9
405.20435	0.5
413.18231	0.5
415.19260	0.9
417.21140	1.0
418.21674	0.5
419.22214	2.8
429.20999	0.9
430.21991	0.5
431.18167	0.7
431.23111	0.8
433.19943	0.5
445.20349	3.6
446.20688	1.9
447.21848	2.1
458.17212	0.5
459.17297	0.7
459.22565	0.8
459.27597	0.5
461.19446	0.4
463.29443	0.4
473.19559	11.4
473.25488	0.6
474.20291	3.9
475.21332	3.8
476.21979	0.5
477.22720	0.7
478.24020	0.5
487.21289	1.6
488.22128	0.7
489.23038	0.5
491.20721	1.1
491.31812	0.6
493.22372	1.3
493.33173	1.2
501.23749	2.1
505.22168	2.6
506.22937	1.0
507.23776	0.7
517.22400	0.5
518.23138	0.4
519.24048	1.8
521.25537	0.5
531.19763	0.7
532.25110	0.6
533.22308	5.4
534.23547	0.6
545.21832	0.9
547.23291	0.7
549.25012	0.7
560.24164	3.0
560.31769	0.5
561.24921	15.8
562.25427	1.5
563.37726	1.3
565.24756	0.4
575.26355	1.0
576.26813	0.6
577.25140	0.4
578.25458	0.6
579.26294	2.1
580.26392	0.6
581.37964	1.1
588.23492	1.7
589.24548	0.5
593.27625	1.7
598.36121	0.5
603.25977	1.1
605.24036	1.0
607.29126	0.7
620.26575	2.3
621.26904	4.2
635.28479	4.3
636.29065	0.7
637.28339	0.4
648.46326	0.5
649.45117	0.8
667.31189	100.0
668.31537	9.7
668.42834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32763	0.4
55.05495	0.8
57.07053	0.7
58.74051	0.4
67.05491	1.8
68.77950	0.4
69.07059	3.3
71.04972	0.6
71.81962	0.4
71.82318	0.5
75.04469	45.2
79.05473	1.2
81.07037	3.7
83.01317	0.4
83.08619	0.7
91.05451	2.8
93.07032	2.6
95.04940	0.5
95.08607	2.4
105.07024	3.6
107.08569	3.4
109.06469	0.6
109.10144	4.0
111.11704	0.4
113.95966	0.4
117.07030	0.7
119.08590	2.5
121.10135	1.6
121.88720	0.4
123.11675	1.6
127.11183	0.4
131.08521	1.2
133.10120	2.7
135.08112	0.5
135.11670	2.4
145.10133	1.2
147.11661	4.1
148.11987	0.6
149.13248	0.6
153.05508	0.5
157.10176	0.5
159.07990	0.4
159.11684	0.9
161.13269	1.0
165.05423	2.8
167.07091	0.6
173.13272	0.5
175.14851	0.5
177.05464	0.6
177.09186	0.7
187.14746	0.6
189.09274	0.4
191.07069	0.6
201.16399	1.5
203.07092	0.5
203.17879	3.6
205.08580	4.1
217.08617	0.6
219.10042	1.8
219.17441	1.3
220.10658	0.4
221.11658	1.1
223.09627	6.0
223.11617	0.6
235.09671	1.2
237.11208	1.3
238.11449	0.6
243.10194	0.8
257.11835	0.4
261.11328	0.5
287.16479	2.2
291.15845	0.4
305.17477	1.5
308.82156	0.4
308.85797	0.4
343.22781	1.5
345.20709	2.2
359.22244	0.5
363.21585	4.4
378.23721	1.1
389.17303	0.5
403.19180	1.5
404.19858	0.7
417.20752	1.6
418.21472	1.2
419.22449	2.3
430.17892	1.2
431.18439	3.9
431.28040	1.4
432.18796	0.9
433.20175	0.5
443.18964	0.5
444.19333	0.7
445.20251	6.9
446.21027	4.4
447.22015	2.6
459.17804	1.2
459.22781	0.6
473.19263	3.5
474.20401	3.9
475.21201	2.9
487.21399	1.4
488.22330	0.5
489.22824	2.0
501.22894	0.6
505.22208	0.8
506.22794	0.6
507.24329	0.7
519.23621	0.6
520.24615	0.9
521.25421	1.8
533.25720	6.1
560.24066	1.5
561.24884	4.9
562.25531	0.5
565.24640	1.3
575.26361	3.0
577.25195	0.5
593.27496	1.7
599.39410	0.4
607.29089	5.0
620.26208	0.6
621.26978	0.7
633.45648	0.8
635.28290	2.3
667.31146	100.0
668.31714	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	666.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
53.13010	0.8
55.01865	1.5
55.05500	18.0
57.03429	3.7
57.07071	6.3
65.03921	2.3
67.05495	58.0
68.05808	0.9
68.49708	0.7
69.03401	1.3
69.07059	25.7
69.07426	1.8
70.08210	2.9
70.08619	2.2
71.04984	3.0
71.08282	0.8
71.08601	4.5
79.05016	1.1
79.05482	31.8
81.03415	2.2
81.07043	63.8
82.07362	1.5
83.01327	0.8
83.04973	7.3
83.08605	10.0
85.06523	3.8
91.05465	25.6
93.07030	35.7
94.07368	1.3
95.04959	6.9
95.08591	40.2
96.08978	0.8
97.06514	6.7
97.10146	4.8
99.08068	4.6
105.03366	1.0
105.07018	16.2
107.04950	1.0
107.08582	24.7
108.08907	1.5
109.06497	2.7
109.10136	17.2
111.08075	2.4
111.11694	1.5
113.09644	1.2
113.52190	0.9
115.05383	0.9
117.06976	7.4
119.08572	11.3
121.06493	1.0
121.10110	12.6
123.08066	1.6
123.11711	8.0
125.09618	2.1
127.11236	1.0
129.06984	1.3
131.08542	7.1
133.10107	10.4
134.10414	1.2
135.08028	1.7
135.11667	12.6
136.12041	2.0
137.09619	1.2
137.13261	2.1
139.11177	2.6
143.08560	1.7
145.10114	3.0
147.11674	10.8
148.12057	0.9
149.09544	1.0
149.13263	6.4
151.03693	0.8
151.11162	4.6
151.14841	1.0
153.05496	3.3
153.12761	1.4
157.10088	1.9
159.08191	0.9
159.11682	5.4
161.13217	4.4
163.07542	1.3
163.11172	2.4
163.14803	1.7
165.05464	10.3
166.05809	2.9
167.07008	2.9
173.13269	1.4
175.14818	2.5
177.09081	1.7
177.12721	1.4
177.16377	1.1
179.03418	1.3
179.14369	1.2
183.11597	1.0
185.13203	1.1
187.14787	1.2
189.16296	1.6
191.18083	1.1
195.12062	0.8
195.13823	3.4
201.16420	1.8
203.17960	7.0
205.08556	4.7
215.18109	0.9
217.08484	0.9
217.19395	1.0
219.10155	6.6
219.17354	1.0
220.10527	3.2
221.11732	5.2
222.12086	1.6
223.09627	4.4
227.12651	1.7
237.11189	8.3
238.11548	3.0
243.21077	0.8
245.22614	1.0
249.11118	1.9
250.11552	1.4
251.16449	2.1
257.08154	1.5
259.20529	1.6
263.23715	2.4
269.17389	8.2
277.21613	5.5
287.16367	1.2
305.17380	1.1
306.17493	1.3
319.26291	1.1
328.08194	1.4
329.08368	2.0
337.27322	34.7
351.25275	7.2
359.22247	2.0
360.22385	1.2
401.55783	1.0
407.64240	1.2
490.34286	1.2
491.37277	3.4
508.34564	1.1
531.40393	100.0
532.40680	3.4
554.33600	1.8
580.40466	1.0
610.39752	3.1
613.48163	8.6
631.48834	1.1
648.46332	1.2
666.46405	2.3
688.38330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17673	1.7
55.01870	3.0
55.05508	14.6
57.03433	2.3
57.07069	17.2
67.05499	26.7
69.07063	45.1
69.71201	6.6
69.71621	9.3
71.05005	2.9
71.08620	3.2
79.05484	21.8
81.07053	54.1
82.07393	2.6
83.01345	2.8
83.04982	4.5
83.08606	10.9
85.06541	7.4
91.05470	29.0
93.07038	42.5
94.07359	3.0
95.04962	4.7
95.08598	51.2
96.08912	3.0
97.06525	7.7
97.10167	8.5
103.05489	2.0
105.03410	3.8
105.07021	58.8
107.04984	2.1
107.08585	67.0
108.08927	4.6
109.06509	5.6
109.10146	43.5
111.08067	4.1
112.94669	1.8
117.07019	6.3
118.33883	1.8
119.08563	55.1
120.08913	3.4
121.06426	2.0
121.10146	42.5
123.08060	3.6
123.11689	38.8
124.12003	2.1
125.09610	3.8
131.08585	14.3
133.10124	38.6
135.08031	4.9
135.11679	54.9
136.11983	4.9
137.06000	3.1
137.09573	4.3
137.13281	6.4
143.08562	5.4
145.10109	18.1
147.08011	2.1
147.11676	65.5
148.12024	2.1
149.09598	2.4
149.13220	9.5
151.11197	5.3
153.05495	13.1
153.12738	2.3
157.10103	4.8
159.08095	2.3
159.11705	13.1
161.09631	3.0
161.13258	16.9
163.07527	3.4
163.11255	2.2
163.14819	6.1
165.05470	42.8
165.12764	3.1
166.05888	2.8
167.07036	9.2
167.10658	2.3
171.11676	3.0
173.09676	4.2
173.13292	5.7
175.11244	3.0
175.14769	9.4
177.05490	7.3
177.09090	10.9
177.16429	4.8
179.03519	2.7
179.06978	2.2
181.08533	1.9
185.13258	4.0
187.14793	8.4
189.12701	2.6
189.16399	8.2
191.07092	2.9
191.10658	4.8
191.17943	2.5
199.14854	5.3
201.09152	4.5
201.16377	16.5
203.07014	3.0
203.17928	70.6
205.08580	15.8
213.16434	3.0
215.17958	8.1
219.10141	64.1
219.12140	4.1
219.17439	3.6
220.10446	4.2
221.11739	19.6
221.19032	5.5
223.09563	15.0
227.12752	3.1
229.19511	2.7
231.10118	3.2
235.09627	6.5
237.11201	100.0
238.11604	3.9
243.10309	2.5
249.11140	4.2
257.11642	2.3
269.22577	2.7
271.24216	15.4
275.12900	2.6
285.14908	4.7
287.13406	3.9
287.16415	23.4
289.25290	7.7
297.29776	2.1
301.14401	2.5
303.16013	6.7
305.17542	16.5
341.20944	6.1
343.19019	7.0
343.22696	5.9
345.20212	2.4
355.22620	4.9
357.20551	10.2
359.22150	49.8
360.22656	2.8
361.19955	5.2
371.22223	5.5
375.21588	2.0
377.23315	10.9
385.31024	4.1
411.25577	3.0
425.26666	6.3
427.28464	14.3
429.26407	2.4
437.26685	2.2
438.06842	2.2
444.28015	3.2
445.28970	4.4
479.31503	3.2
489.33612	4.8
493.39005	4.0
495.34686	2.6
497.32590	3.1
507.34653	11.0
525.35870	12.0
547.37744	8.2
561.39233	8.1
579.40161	3.3
629.45697	17.9
647.46735	52.8
665.45923	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	665.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01862	1.4
55.05509	13.1
57.03423	3.5
57.07070	16.6
59.04989	1.3
59.74808	0.9
59.88929	1.1
65.03914	2.6
67.05500	27.3
69.03445	1.1
69.07064	32.3
70.75948	1.0
71.08607	1.2
71.42178	2.1
71.42528	1.2
77.19641	1.1
79.05484	22.3
81.07048	58.7
83.01333	2.8
83.04954	2.9
83.08611	9.5
85.06515	3.5
85.95221	1.0
86.56010	1.0
91.04917	2.4
91.05471	37.4
91.06039	2.1
93.06432	1.9
93.07035	49.4
95.04964	5.3
95.08595	66.8
97.06508	3.2
97.10150	4.5
103.05404	1.3
105.07021	68.4
107.04886	1.3
107.08582	68.7
109.06511	3.5
109.10149	43.1
111.11760	1.5
117.06990	9.5
119.08570	61.4
121.06503	2.6
121.10136	49.1
123.08069	1.9
123.11698	53.9
125.09661	1.6
125.13276	1.4
127.07539	1.2
129.07040	1.2
130.18852	1.0
131.08537	18.9
133.10117	46.6
135.08041	4.1
135.11681	34.8
137.05984	1.8
137.09598	2.1
137.13243	4.8
139.03868	1.6
141.05396	1.2
143.08563	3.8
144.09343	1.4
145.10120	24.7
147.11670	82.0
149.09595	4.1
149.13237	13.1
151.11197	4.6
153.05479	7.6
156.09273	1.8
157.10129	3.8
159.08067	1.7
159.11673	16.2
160.12421	1.1
161.13234	17.2
163.07535	5.2
163.11176	2.4
163.14792	9.8
165.05478	22.8
165.12791	1.7
167.06985	4.2
171.11708	3.0
173.09688	1.9
173.13263	9.9
175.11302	1.4
175.14827	7.2
176.08347	1.7
177.05417	3.4
177.09116	12.7
177.16396	6.4
179.03346	1.3
179.06870	1.4
180.09344	1.2
181.08589	1.4
185.13243	3.2
187.14801	23.5
189.16383	8.6
191.06970	2.9
191.10657	7.1
199.14801	2.7
201.09090	5.0
201.16402	14.5
203.06993	1.2
203.10725	2.1
203.17941	49.9
205.08563	6.9
207.10132	1.4
207.17416	2.1
213.16345	3.5
215.17914	13.0
219.10150	64.4
219.17468	1.4
220.10468	1.8
221.11714	6.2
221.19052	3.0
223.09621	5.4
225.11183	2.9
229.19507	3.9
231.10081	1.5
231.21042	2.3
233.11830	1.4
235.09625	2.0
237.11195	96.1
238.11745	1.7
239.12794	3.4
245.11847	1.3
249.11159	3.0
257.11649	1.4
257.15271	1.2
257.97803	1.4
261.11401	2.2
269.22519	6.3
271.24185	52.5
272.24545	1.7
275.16312	1.3
285.14896	3.7
287.16409	17.5
287.23721	1.4
289.25269	16.4
303.15778	4.9
305.17447	12.7
305.23044	1.1
325.18054	1.7
341.21112	5.7
343.19009	4.3
343.22763	1.4
357.20508	4.1
359.22134	94.6
360.22388	3.7
361.19730	2.5
369.20279	1.4
371.22308	5.4
377.23349	3.7
425.26697	3.4
427.28384	3.9
441.30746	1.3
489.33508	3.6
507.34656	18.8
525.35693	28.9
547.37769	2.7
629.45715	13.5
647.46649	100.0
648.46808	5.4
665.47198	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	664.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.01851	0.8
55.05280	0.4
55.05505	6.6
57.03431	7.2
57.07060	0.9
59.04975	1.0
61.02902	1.9
65.03906	1.2
67.05496	50.0
68.05827	0.5
69.03407	1.8
69.07059	8.2
70.92636	0.8
70.92947	0.6
71.01337	2.3
71.04980	12.7
73.02898	0.8
79.05480	21.1
81.03397	3.7
81.07045	14.9
83.04513	0.6
83.04970	6.7
83.08602	3.6
85.02888	2.5
85.06542	2.5
87.04454	0.9
91.03934	0.8
91.05465	11.8
93.07031	28.1
94.07388	0.5
95.04965	3.5
95.08593	6.9
97.02876	1.4
97.06516	7.3
97.10150	6.6
99.04417	0.7
99.08080	1.2
105.07040	2.5
107.04942	1.4
107.08578	19.7
109.02878	0.6
109.06511	0.9
109.10140	33.3
111.08056	2.3
111.11723	0.7
117.06998	2.7
119.08574	8.0
121.06482	1.2
121.10130	5.2
125.09624	1.4
127.03915	0.6
130.07782	0.7
131.08546	0.7
133.10114	2.4
135.08058	1.0
135.11674	34.2
136.12021	0.7
137.09595	6.1
139.07541	0.5
143.08595	0.7
145.10115	6.6
147.11621	0.5
149.02322	0.8
153.12755	1.2
155.10651	1.6
156.20343	0.4
163.11153	5.3
165.34830	0.4
169.12198	0.7
173.11699	6.4
175.11264	0.5
181.12224	6.1
183.16977	0.4
184.07433	0.8
186.41100	0.4
199.13289	1.2
211.13319	0.9
229.14319	0.7
237.14896	0.6
255.15872	13.8
255.18449	0.9
285.07440	0.5
287.18527	5.8
409.25787	40.8
410.26273	2.2
423.27307	4.8
435.27371	100.0
436.27737	6.1
467.29993	22.9
468.30334	2.0
579.31616	0.8
604.69202	0.5
611.34436	1.1
634.75781	0.5
664.35791	0.7
665.19092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.05507	8.6
57.03413	2.3
57.07069	65.1
59.04967	1.1
65.59170	1.6
67.05491	16.7
67.85835	1.3
69.06702	1.7
69.07056	28.9
70.38241	4.9
71.04967	2.6
71.08601	1.2
76.86099	1.4
79.05486	12.5
81.07047	21.6
83.01332	3.8
83.04929	1.8
83.08648	2.3
85.06524	5.4
87.04459	3.0
91.05470	26.5
93.07036	39.9
94.07340	1.4
95.04931	5.0
95.08021	1.7
95.08594	24.6
97.06507	1.9
97.10163	2.9
105.06345	2.3
105.07012	27.5
107.04974	1.3
107.08579	47.2
108.08878	1.4
109.06470	4.7
109.09424	2.2
109.10137	33.3
111.04404	2.5
117.07009	4.2
119.04919	1.3
119.05963	1.3
119.07753	2.0
119.08560	26.0
121.06459	3.4
121.10138	19.2
123.04362	1.8
123.08067	2.0
123.11674	15.2
127.11160	4.3
129.06970	1.6
130.07776	2.1
131.08554	9.9
133.10106	15.8
135.08032	7.6
135.11673	45.2
137.05960	2.9
137.09550	1.8
137.13208	2.6
143.08519	2.7
144.09233	1.4
145.10115	16.0
147.11679	23.9
149.05936	1.8
149.09563	2.1
149.13231	3.4
151.07417	1.3
153.05449	14.8
153.06752	1.8
155.08534	2.1
157.10117	2.4
159.08029	1.8
159.11671	9.5
161.06120	1.6
161.09639	2.5
161.13237	7.5
163.07509	4.3
163.11139	6.5
163.14651	1.3
165.05447	52.4
165.43791	1.2
167.07001	8.7
167.10469	1.4
169.05069	1.2
171.11661	2.0
173.09586	3.2
173.13211	2.9
175.14757	2.7
176.08302	2.9
177.05522	2.1
177.09065	9.1
177.12643	2.3
177.16348	2.4
187.14815	2.5
189.16296	5.7
191.07074	1.8
191.10675	7.4
191.17931	4.6
199.14687	1.2
201.09081	4.8
201.16348	13.7
203.17928	22.8
205.08496	2.0
207.10136	2.0
215.17839	1.3
217.08740	1.8
219.10135	74.8
219.17409	21.4
220.10402	2.4
221.11673	11.4
225.11002	2.2
233.03548	2.9
235.09584	3.1
237.11188	100.0
238.11485	2.8
243.10036	2.7
243.13722	1.8
245.11725	2.6
245.15237	1.4
249.11194	1.6
251.04694	12.0
253.10699	5.1
271.13531	1.6
271.24182	1.9
285.14783	1.8
287.16379	41.0
303.15726	2.2
305.17453	6.0
327.07758	65.8
328.08151	2.2
341.21112	4.4
343.22610	1.5
353.21039	4.5
355.22638	9.1
357.20544	11.2
359.22162	31.1
360.22482	2.6
371.22131	20.2
375.21564	4.5
383.14014	50.1
384.14337	2.9
389.23209	9.0
393.22775	1.7
409.27173	3.3
423.25024	2.1
425.26682	7.7
427.28339	18.6
439.20303	53.8
439.27115	1.8
439.28351	2.2
440.20419	3.5
441.26291	4.0
443.27933	21.3
444.28232	1.4
455.27744	3.9
461.29004	18.4
462.02216	1.6
473.28989	1.6
475.32294	1.8
477.29752	1.5
493.32855	3.1
495.26553	42.3
495.33517	1.6
496.26691	4.5
511.34387	6.2
529.34674	1.5
531.38422	1.3
551.32855	61.1
552.33038	4.8
559.37531	2.8
577.38599	6.8
579.40057	1.7
595.39691	3.3
607.39087	56.8
608.39563	7.3
627.43719	2.0
629.45325	2.5
645.44788	6.1
663.35242	2.0
663.45422	18.3
664.45642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.05502	6.3
57.03394	1.2
57.07069	52.1
67.05505	8.8
69.03394	1.5
69.07059	21.7
69.73328	5.5
69.73759	4.3
77.03939	1.2
79.05480	12.0
81.07047	19.0
83.01317	3.1
83.04968	2.2
83.08615	3.2
85.06526	4.2
91.05464	20.7
93.07031	46.9
95.04951	4.6
95.08594	25.3
97.06477	1.2
97.10152	2.0
99.08098	1.1
105.07008	18.4
107.08579	61.5
108.08889	1.8
109.06494	4.8
109.10139	11.9
117.06998	3.6
119.08559	13.7
121.06413	2.1
121.10136	17.3
123.04404	1.1
123.08065	2.5
123.11690	11.3
125.09574	1.2
129.07045	1.3
130.87262	1.2
131.08568	8.0
133.10124	12.5
135.08031	3.0
135.11678	100.0
136.12027	1.4
137.05975	2.2
137.13240	2.0
143.08539	2.5
144.09389	1.7
145.10103	17.5
147.08009	1.1
147.11656	12.0
149.09587	2.6
149.13235	2.7
151.07608	1.2
153.05455	9.4
153.06926	2.4
153.12753	6.4
155.08524	1.5
157.10083	2.7
159.11687	11.7
161.09616	1.6
161.13229	3.8
163.07504	2.2
163.11153	4.8
163.14790	1.8
165.05449	26.0
167.07037	4.3
171.08038	1.2
171.11678	2.8
173.09659	2.3
173.13229	3.3
175.07605	1.2
175.11212	1.9
175.14816	5.2
177.05363	3.0
177.09102	5.3
177.12621	1.1
177.16365	15.7
185.09541	1.4
185.13205	1.3
187.14777	2.2
189.16296	3.3
191.07004	1.8
191.10637	2.7
191.14372	1.3
191.17909	2.8
199.14783	4.1
201.09132	2.2
201.16362	29.2
203.07001	1.9
203.10706	1.9
203.14143	1.1
203.17934	5.4
207.17284	1.9
217.08548	1.3
219.10132	34.6
219.17424	37.3
219.19548	2.4
220.10582	1.2
220.17836	1.6
221.11707	11.2
225.16469	1.4
233.03603	2.8
237.11171	46.9
238.11420	1.8
249.11111	2.6
251.04643	9.7
255.13837	1.4
259.13022	1.2
265.10593	1.8
287.16342	12.3
305.17490	9.7
307.10861	2.2
327.07761	65.9
328.07947	3.1
339.19720	1.6
341.21118	2.5
343.22757	1.4
353.21030	7.1
355.22678	1.6
357.20410	3.3
359.22116	16.6
371.22128	14.7
373.20364	1.3
377.23212	8.8
377.27994	1.8
383.14020	51.8
384.14334	3.1
389.23712	1.4
395.29510	1.8
407.25775	2.7
409.27359	4.9
419.29294	1.8
425.26843	14.9
427.28253	2.9
433.38174	1.3
439.20306	53.2
440.20724	3.0
443.27997	23.5
443.33881	2.4
455.27872	5.5
461.29004	1.5
475.31830	3.0
493.33179	5.2
495.26541	48.6
496.26477	3.2
511.34161	5.5
543.37714	1.6
551.32837	71.6
552.33118	4.0
559.37274	4.4
561.39063	2.7
577.38800	11.5
579.39929	1.4
595.39777	7.8
607.39032	63.6
608.38611	3.0
627.43860	5.0
645.45001	12.6
663.45715	27.1
664.45264	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.7
55.05491	2.8
57.07070	56.9
57.07450	1.8
64.08738	0.7
65.03898	0.9
67.05495	3.6
69.07059	10.0
71.04939	0.6
77.03973	0.9
79.05482	3.3
81.07047	7.8
83.08562	1.0
85.06502	1.2
87.04419	1.8
91.05470	11.7
92.07523	0.5
93.07030	12.7
94.41450	0.5
95.04916	1.4
95.08598	10.7
97.06462	1.0
105.07010	8.5
107.08578	14.6
109.06442	1.4
109.10151	7.0
111.08051	0.6
111.39220	0.5
115.05328	0.6
117.06954	2.4
117.66328	0.6
119.05969	0.6
119.08553	7.2
121.06412	2.0
121.10145	5.4
122.07508	0.5
123.04380	0.8
123.07995	1.3
123.10896	0.6
123.11691	4.2
131.08560	2.8
133.09369	0.5
133.10112	5.3
135.08044	3.3
135.11671	21.4
136.11946	0.8
137.05923	0.9
137.13176	2.2
143.08572	1.3
145.08961	0.7
145.10089	7.1
147.10620	1.0
147.11676	12.7
149.05898	0.6
149.09601	1.0
149.13170	1.3
152.06154	1.0
153.05542	3.6
153.06898	3.6
153.12679	1.9
155.08449	1.0
157.10060	1.6
159.11684	3.9
161.09554	0.8
161.13182	2.4
163.07465	1.3
163.11148	1.1
163.14767	0.9
165.05469	10.1
167.06995	1.7
169.04904	0.9
173.09506	0.9
173.13197	1.4
175.14705	1.1
176.32903	0.5
177.05423	1.0
177.09036	1.7
177.16409	1.4
179.07014	0.7
187.14851	0.7
189.16342	1.2
191.07152	1.0
191.10605	1.8
191.17822	1.7
199.14645	0.9
201.08980	0.9
201.16362	6.4
203.07001	0.8
203.16475	0.6
203.17940	6.9
205.08522	0.9
207.10165	0.9
215.10629	0.6
219.10136	13.6
219.17435	6.8
221.11714	3.6
228.09387	0.7
229.10156	1.2
233.03600	5.9
237.11177	20.3
238.11635	0.9
251.04643	15.5
253.10660	1.2
271.24225	1.2
287.16367	6.8
305.17450	1.2
307.10889	1.5
315.15869	0.7
327.07767	100.0
328.08191	3.5
341.21136	1.4
353.20953	3.1
357.20496	3.0
358.51126	0.7
359.18903	0.6
359.22238	7.2
371.22049	4.9
375.21500	1.6
383.14026	70.6
384.14331	2.9
407.25613	0.9
409.27698	1.3
425.26834	5.5
427.28287	2.0
437.26465	0.8
439.20291	72.3
440.20636	4.5
441.26239	1.2
443.27960	8.7
444.28421	0.9
448.92371	0.6
455.27917	0.8
461.28909	2.6
475.31946	1.4
493.33194	2.6
495.26544	66.5
496.26862	6.0
511.34140	1.2
523.34381	0.6
551.32825	98.8
552.33276	7.8
559.37823	1.3
561.39642	1.4
577.38538	2.5
595.39478	1.7
607.39032	84.1
608.39215	8.2
627.44336	1.0
645.45245	2.3
663.45374	25.0
664.45935	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	663.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01657	0.9
60.58808	0.9
61.02886	1.0
65.03927	1.4
67.05490	2.8
67.69194	1.0
69.03418	1.0
79.05485	2.6
81.03404	1.8
81.07050	1.9
82.06553	1.0
85.02880	1.5
86.09691	1.9
91.05468	2.6
92.04968	1.0
93.07037	2.4
94.06579	2.0
95.04967	1.3
95.08591	2.6
97.06538	1.0
105.06996	2.5
106.06522	5.5
107.07343	6.4
108.07376	1.2
108.08107	23.0
109.10187	1.5
116.05032	1.2
119.08579	1.1
120.04471	2.7
120.08091	5.5
121.06472	1.0
121.08915	1.6
121.10146	1.0
122.06032	2.2
122.09669	20.9
123.04369	1.0
124.07558	1.1
125.00026	1.4
133.10147	1.3
134.05989	1.6
134.09680	1.3
135.06769	1.5
136.07555	6.3
139.03879	1.3
143.04959	1.0
144.04433	3.3
146.05984	21.4
146.09634	2.1
148.07538	8.4
150.09129	90.1
151.09499	1.7
152.07057	10.2
160.03964	1.0
160.07605	3.1
162.05507	1.5
162.09045	1.4
163.03949	1.3
164.07056	5.6
166.08621	48.3
167.08942	1.0
172.03932	15.1
174.05510	1.7
184.07356	5.0
190.04924	9.6
197.10701	1.9
198.11510	3.6
204.06528	21.8
207.10204	2.6
210.11522	3.5
211.12320	4.0
212.13077	1.4
218.08139	2.7
222.07921	0.9
223.08794	1.4
223.12294	3.0
224.13054	1.5
225.10300	3.8
225.13805	1.4
226.11015	3.0
227.11800	2.7
229.13377	1.9
235.08739	3.0
235.12282	1.7
236.09248	1.8
237.10283	7.2
237.13762	2.8
238.10930	5.9
239.11749	13.0
240.12578	0.9
241.13272	2.7
246.07567	1.6
248.09450	3.8
249.10202	13.1
250.10962	11.0
251.11795	14.9
252.08821	1.7
252.12550	3.1
253.13391	6.4
255.11243	1.9
255.14789	5.5
256.12033	1.5
257.12860	4.2
262.11148	1.2
263.11758	33.0
264.08871	4.1
264.12488	8.6
265.09735	5.7
265.13342	15.3
266.10449	4.4
266.13461	1.3
267.11237	7.4
269.12857	6.2
271.14471	1.7
275.11868	1.9
276.08728	1.4
277.09750	3.0
277.13364	1.2
278.10437	4.2
279.11273	26.5
280.11914	3.8
281.12799	23.6
282.10046	2.2
282.13235	1.9
283.10855	3.1
283.14429	7.8
284.11545	2.5
285.12366	10.7
287.13889	5.8
291.11267	30.1
292.11981	6.1
293.12836	26.2
294.13101	1.4
295.10831	6.2
296.11380	2.8
297.12317	27.0
297.15634	1.9
298.12994	3.8
299.13867	34.6
300.14142	1.4
303.13412	2.1
304.08624	1.8
305.14868	3.2
307.10684	5.4
309.12311	37.7
310.13052	2.2
311.10355	1.9
311.13754	13.5
319.10712	19.2
321.12317	4.0
323.10522	4.7
323.16339	5.6
324.11163	1.4
325.11768	23.4
326.12000	1.2
327.13403	4.5
337.11789	100.0
338.12286	3.4
339.13562	6.0
341.14981	2.1
343.12918	2.1
346.19034	1.2
351.13293	1.4
357.14365	8.1
358.15155	1.4
369.14468	6.4
371.15887	3.4
386.18842	1.3
387.63312	1.0
388.20117	2.3
398.15063	2.6
399.15921	2.5
401.13193	7.1
402.21667	1.3
406.21240	1.9
414.17926	2.0
416.15939	2.9
418.21262	1.4
430.21317	2.7
432.19070	4.5
433.19952	2.4
434.20755	2.5
446.20908	7.7
447.21219	1.1
448.22299	51.1
449.22610	2.8
450.20068	1.3
456.19031	1.7
458.17096	3.8
460.18024	1.6
464.18179	2.5
468.80728	0.9
474.20203	88.6
475.20529	3.9
476.18097	4.3
482.19400	3.3
492.21341	11.6
494.19342	2.1
506.22836	52.5
507.22897	2.7
514.22003	3.4
526.21899	1.6
571.25574	3.7
587.28485	2.2
595.25500	11.8
603.27661	1.6
613.26532	16.2
631.27527	40.1
645.29486	1.5
663.13300	1.1
663.29877	8.2
673.40552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44179	2.2
55.05502	12.9
57.03416	2.9
57.07083	12.0
58.23364	2.1
65.11817	2.3
67.05497	33.1
69.07066	16.0
71.04970	2.8
71.08621	28.8
71.51813	5.5
79.05485	34.6
81.03396	4.5
81.07047	45.5
83.04971	6.2
83.08607	9.7
87.04456	38.2
91.05474	24.6
92.43889	1.9
93.07034	52.9
95.04959	9.1
95.08591	31.6
95.24732	2.5
97.06530	7.0
97.10148	3.6
99.08092	15.5
102.37151	2.6
104.49493	2.4
105.07018	19.7
107.04967	8.3
107.08601	29.2
109.06481	2.9
109.10149	17.8
113.09737	2.0
117.07018	4.3
119.01534	2.1
119.08566	18.4
120.41753	2.4
121.06562	4.2
121.10145	30.7
130.33650	2.1
131.08514	5.0
133.10136	14.7
135.08031	3.2
135.11685	27.1
141.09094	4.4
143.08621	2.7
145.10080	5.0
147.11707	7.6
149.13281	5.9
151.11194	11.5
157.10101	3.5
159.11699	3.6
161.13237	9.6
163.11169	8.0
165.05435	5.7
167.10646	2.7
179.14299	66.3
183.11496	2.5
184.07410	2.8
192.80394	2.4
219.10159	4.6
227.21388	2.3
237.11212	9.3
259.20544	3.6
277.21582	54.2
351.25244	52.1
359.22028	4.2
433.23929	3.0
459.21671	7.7
475.21466	3.8
547.26910	9.1
606.28345	5.3
607.29181	3.4
609.45105	2.7
624.45313	2.9
627.46130	100.0
627.56537	4.9
628.46106	5.0
662.44580	5.0
663.31763	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	662.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47648	0.7
53.03938	2.2
55.01854	2.2
55.05506	14.4
57.03165	1.3
57.03429	19.5
57.07053	0.9
59.72663	0.7
61.02921	3.9
62.73215	0.8
65.03926	1.8
67.05495	38.9
68.37676	0.8
69.03407	3.4
69.07058	11.9
71.01349	3.0
71.04980	4.9
73.02898	1.6
77.03915	1.0
79.05482	38.4
81.03407	49.8
81.07043	27.3
83.04966	15.0
83.08607	16.8
85.02891	16.8
85.06515	3.2
86.09697	1.6
91.05463	28.4
93.07030	36.3
95.04955	20.7
95.08603	9.5
97.02869	3.9
97.06512	8.8
97.10155	10.0
98.20747	2.1
99.08061	1.9
105.07017	15.1
107.04948	5.5
107.08577	23.5
109.06522	3.7
109.10136	5.4
111.04395	0.8
111.08054	7.8
113.05982	2.6
117.06979	3.5
119.08565	17.6
121.06480	2.2
121.10136	8.7
123.08026	2.3
123.11671	1.1
124.99980	1.3
125.09606	2.3
129.06984	6.8
131.08580	7.3
133.06476	2.2
133.10101	10.5
135.08101	0.8
135.11674	37.0
137.09599	2.5
138.98526	0.8
142.07751	2.7
145.10094	7.2
147.08008	1.8
147.11682	12.7
149.09592	3.9
153.12672	0.9
157.10083	11.5
163.11159	5.9
165.12749	1.8
175.11142	9.7
181.12213	8.3
184.07291	4.3
193.12215	32.7
199.13271	2.3
211.13266	42.5
223.71541	0.8
231.55917	0.7
249.14832	2.0
255.15886	73.2
256.16306	1.6
267.15863	26.4
269.80649	0.9
285.16925	27.2
285.20099	1.5
286.17279	1.4
355.22366	1.0
360.09317	0.7
376.59753	0.8
414.38715	0.8
421.25687	2.7
447.27353	70.6
448.27722	3.2
465.28433	100.0
466.28903	6.1
645.84808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55649	0.3
51.02371	0.5
53.00316	0.3
53.03934	0.6
54.18918	0.3
55.01866	2.4
55.05478	0.5
57.03440	0.4
60.08153	0.6
65.03927	1.3
67.05495	2.4
68.99788	0.6
69.03407	1.3
69.07039	0.4
71.79900	0.5
71.80273	0.4
77.03933	0.3
79.01842	0.5
79.05482	2.7
81.03421	1.8
81.07046	1.5
83.01311	0.4
83.04962	0.7
85.02870	1.9
86.09679	1.8
91.05459	2.8
93.03371	0.7
93.07037	0.6
95.04958	5.1
95.08582	0.7
97.02882	1.2
97.06509	0.5
103.05448	2.6
105.03378	2.0
105.04485	0.3
105.07001	0.9
106.04174	0.4
107.04940	5.1
107.08577	0.5
109.02844	1.5
109.06488	0.5
111.04415	1.2
112.04707	0.4
115.04066	0.3
115.05434	1.1
117.06990	4.9
119.04929	4.9
119.08573	0.3
121.02852	0.8
121.06432	0.5
121.10067	0.4
122.03619	0.4
123.04408	37.3
124.05208	0.5
124.99982	1.7
125.05967	0.8
127.03919	1.8
129.06989	0.5
131.04898	6.9
131.08536	0.4
132.05370	0.3
133.06465	0.9
135.04388	4.2
137.02336	0.9
137.05956	9.0
139.03879	15.3
140.04619	0.3
141.07010	0.5
143.04909	0.9
144.05751	0.5
145.06464	10.8
147.04387	18.5
147.11621	0.5
149.05998	1.1
151.03879	100.0
152.04213	2.2
153.05434	3.2
153.06604	0.6
155.07036	1.3
157.06435	0.7
159.08014	0.5
160.05222	0.6
161.05977	4.1
163.03876	5.9
163.07530	3.4
165.05457	8.5
165.06842	0.3
167.07027	10.7
168.07365	0.4
169.04967	0.5
169.06349	0.8
171.06462	0.6
171.07861	0.4
172.05162	0.6
173.05948	4.8
175.03885	1.1
175.07452	1.6
177.05453	1.8
177.09091	5.3
179.03374	0.7
179.06996	2.1
180.51407	0.4
181.04935	19.6
181.08383	0.7
183.06508	2.2
183.07986	0.8
184.07323	6.4
185.07664	0.9
187.07495	3.4
189.05449	1.0
191.07019	0.8
193.04939	4.9
195.06494	0.7
197.05930	0.8
199.07455	0.5
201.05505	0.7
205.08585	8.5
207.06487	3.7
209.08043	2.2
211.07555	0.7
212.16443	1.0
213.05641	0.4
213.16728	0.5
215.07031	2.0
217.08536	1.8
218.05487	0.4
219.06458	0.4
219.10168	0.5
221.06070	0.4
221.08051	0.9
233.08008	3.7
234.06709	0.6
238.18028	0.9
239.07040	0.8
243.04208	0.4
243.06448	1.7
249.09099	2.2
257.07867	0.8
262.06207	0.5
263.06787	0.6
263.09277	0.8
265.08405	0.5
266.09457	0.4
267.06509	1.1
267.15903	0.5
272.32748	0.3
277.05728	0.5
277.08533	2.9
281.11737	0.9
285.04510	0.5
285.07474	3.5
293.08121	0.5
295.09570	0.4
299.05679	0.3
303.08578	91.4
304.08856	3.3
307.09592	0.3
309.11118	2.9
310.11884	0.4
311.09091	0.5
330.22604	1.2
331.22940	1.0
339.08630	0.6
341.13831	2.4
353.10220	1.8
359.14832	86.3
360.15088	3.0
370.01892	0.3
370.10529	0.4
371.14563	0.5
374.21722	1.1
375.22171	0.3
383.11395	0.8
385.12701	3.1
399.14285	0.5
404.15811	0.4
411.14447	1.1
415.13889	0.7
417.15302	2.3
483.92010	0.4
509.17783	0.9
595.21429	0.8
661.21716	0.5
661.33588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03923	0.9
54.13591	0.3
55.01858	0.7
55.05503	5.2
57.03168	0.3
57.03427	4.0
57.07055	0.8
61.02921	2.2
65.03921	0.8
67.05496	26.4
68.05786	0.4
69.03404	1.3
69.06701	0.4
69.07062	7.9
70.07407	0.4
71.04989	2.3
71.08614	0.5
71.80312	0.4
72.86550	0.3
73.02888	1.4
79.05479	14.0
81.03402	2.3
81.07045	34.9
82.07388	0.4
83.04966	2.9
83.08610	7.4
85.02893	2.6
85.06522	2.3
86.09674	0.8
91.03932	1.1
91.05470	10.7
91.06037	0.6
93.07031	23.1
95.04951	3.1
95.08590	9.7
97.02871	1.5
97.06514	5.0
97.10146	1.0
99.04462	0.5
99.08089	1.1
105.07011	6.1
107.04917	0.7
107.08578	12.8
109.06491	1.3
109.10152	2.4
111.08055	2.7
113.09642	0.4
115.05341	0.4
117.07008	5.6
119.08569	2.5
121.06480	1.3
121.10126	7.1
123.08038	0.7
123.11706	2.1
125.09544	0.4
127.03834	0.4
128.06230	0.4
129.06981	1.8
131.07564	0.4
131.08545	7.1
133.06406	0.4
133.10114	7.8
135.08028	1.5
135.11667	4.3
139.11197	0.4
141.06943	0.5
143.08517	1.2
145.06487	0.4
145.10075	1.9
147.11679	1.1
149.09576	0.6
149.13231	9.9
151.11136	1.3
155.08516	0.9
157.10118	1.4
159.11693	6.4
161.09624	0.5
163.11189	0.7
167.14316	0.5
169.10060	0.6
171.11646	0.6
173.13255	0.7
177.12712	3.0
179.08600	0.4
181.10074	0.4
183.11705	0.5
184.07288	1.7
185.13321	0.5
189.09256	0.4
195.11937	0.7
195.13768	7.0
197.13240	0.5
199.14766	0.5
211.14928	0.4
213.12927	0.4
213.14841	1.3
219.13528	0.4
243.59303	0.4
251.16371	1.5
255.15758	0.4
269.17444	25.6
270.17679	1.0
275.20181	0.4
343.26239	0.5
353.24704	2.0
371.25815	1.4
389.26862	1.1
413.21954	0.4
427.28336	0.6
445.23224	0.6
445.29468	13.2
463.30505	100.0
464.30841	3.7
481.31680	1.0
530.81622	0.4
607.34796	3.5
643.36511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01857	1.3
55.05253	0.4
55.05507	6.8
57.03429	7.2
57.07059	1.7
61.02917	6.2
61.76415	0.3
63.56369	0.3
65.03930	1.0
67.05495	33.4
68.05809	0.5
69.03429	2.3
69.06702	0.7
69.07062	10.7
70.06242	1.7
70.06582	0.8
71.04983	3.2
71.08630	0.6
73.02917	2.0
79.05482	18.2
80.27388	0.4
81.03403	3.0
81.07045	45.2
82.11871	0.4
83.04964	3.7
83.08605	9.7
85.02892	6.5
85.06521	2.6
86.03213	0.8
88.07616	1.8
91.03956	3.6
91.05465	11.0
91.06045	0.5
92.05791	0.5
93.07032	30.1
94.07384	0.5
95.04947	3.2
95.08597	11.5
96.08936	0.5
97.02883	5.4
97.06509	5.7
97.10155	1.1
98.03233	0.6
98.20748	0.6
99.04448	1.0
99.08082	1.5
101.22294	0.4
102.09160	0.7
103.03924	0.8
105.07024	4.5
107.04941	0.6
107.08580	18.1
109.02866	0.5
109.06507	1.3
109.10139	2.7
111.04346	0.4
111.08079	3.4
113.06026	0.6
113.09641	0.5
116.41920	0.4
117.07017	4.4
119.08574	1.9
121.06506	1.7
121.10136	8.8
122.10472	0.4
123.08079	0.8
123.11685	2.6
125.09645	0.4
127.03917	1.7
128.04185	0.4
131.08542	5.2
133.10112	8.0
135.08060	1.2
135.11667	5.9
139.11147	0.8
145.04971	0.9
145.10146	0.6
147.11697	1.4
149.02313	1.3
149.09612	0.8
149.13240	14.5
151.11208	0.7
153.09085	0.4
157.10103	0.4
159.11670	7.3
163.05919	0.5
167.14314	0.8
177.12737	3.2
183.06502	0.5
184.07324	0.5
193.04979	1.5
194.05258	0.9
195.13794	8.0
213.14838	0.9
237.07559	0.4
251.16338	1.2
256.26440	1.0
257.26642	1.0
267.15768	0.6
269.17444	44.2
270.17880	1.0
323.76935	0.4
335.25800	1.4
336.26242	2.5
336.29611	0.4
342.25082	0.5
386.09738	0.6
430.12332	0.5
431.12607	0.7
445.29419	0.9
463.30505	100.0
464.30869	3.9
469.45114	0.5
535.30963	0.4
548.16034	0.4
607.35675	0.7
635.74475	0.4
660.36365	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	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01857	1.0
55.05504	5.8
56.37075	0.3
57.03432	6.1
57.07061	1.0
59.04994	0.4
61.02607	0.4
61.02916	6.2
62.03248	0.4
63.35096	0.4
64.11514	0.3
65.03919	1.1
67.05493	27.5
68.05816	0.5
69.03416	2.2
69.07057	9.9
71.01337	0.6
71.04986	2.6
71.80583	0.6
72.08085	0.3
73.02895	2.1
79.05484	15.3
80.83831	0.4
81.03404	2.9
81.07043	36.5
82.07374	0.6
83.04965	3.2
83.08609	7.4
85.02895	7.4
85.06535	2.0
86.03223	0.7
88.07616	0.4
91.03948	3.5
91.05468	9.6
92.04287	0.4
93.07027	26.4
94.07365	0.5
95.04961	2.3
95.08601	8.0
96.08938	0.5
97.02890	5.0
97.06513	5.8
97.10140	1.0
98.03190	0.4
99.04433	0.8
99.08073	1.4
102.09204	0.5
103.03924	0.7
105.07006	3.6
107.04939	0.5
107.08579	15.5
109.02870	0.7
109.06492	1.1
109.10149	2.6
111.04449	0.5
111.08060	3.3
114.62705	0.3
115.03943	0.6
117.06998	3.6
119.08591	1.8
120.59515	0.4
121.06523	1.0
121.10118	9.6
123.08075	0.4
123.11676	1.6
125.09591	0.8
127.03892	1.9
129.05511	0.6
131.08551	4.7
132.08817	0.4
133.10112	6.5
134.10466	0.3
135.08052	1.1
135.11678	4.6
139.11165	0.9
145.04929	1.5
145.10109	0.6
147.11661	0.9
149.02328	0.8
149.09618	0.6
149.13235	13.3
150.02711	0.4
151.11192	0.7
157.10155	0.6
159.11670	5.8
177.12701	3.0
178.65561	0.3
183.06592	0.4
193.04869	0.8
194.05208	0.5
195.13788	6.4
213.14854	1.1
218.82416	0.3
238.07892	0.4
251.16386	0.9
257.26624	0.3
258.27002	0.4
261.22327	0.6
262.22406	0.4
265.44107	0.3
269.17438	39.9
270.17889	0.5
301.16351	0.4
333.24091	0.4
335.25867	1.8
336.26141	3.1
386.09482	0.5
413.21930	0.6
431.12213	0.4
445.29462	0.8
463.30487	100.0
464.30804	2.1
480.30530	0.4
505.83588	0.3
607.34235	0.9
660.36462	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	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03934	0.7
55.01858	1.2
55.05500	5.6
57.03425	5.2
57.07069	1.3
59.04974	0.4
61.02915	1.7
65.03928	0.8
67.05493	32.0
69.03423	0.7
69.07057	10.3
69.32536	0.2
70.13637	1.0
70.14053	0.5
70.35206	0.2
71.01340	0.5
71.04978	3.1
71.08622	0.5
73.02911	1.0
74.55048	0.2
77.03906	0.3
77.17850	0.2
79.05479	16.0
81.03408	1.6
81.07041	40.0
83.04975	2.5
83.08605	7.7
85.02901	1.7
85.06535	2.1
86.57426	0.3
91.03934	0.8
91.05460	7.7
93.07028	27.9
95.04946	3.0
95.08588	9.4
97.02882	1.0
97.06513	6.5
97.10147	0.7
99.04446	0.5
99.08082	1.6
105.07006	3.3
105.97910	0.3
107.04935	0.5
107.08575	16.5
109.02847	0.3
109.06491	1.3
109.10120	2.0
111.08056	3.9
111.11703	0.5
113.06023	0.3
113.09649	0.6
117.06997	4.5
119.08540	1.7
121.06493	0.8
121.10126	10.3
123.08078	0.4
123.11702	1.1
126.98263	0.3
127.07514	0.4
128.95946	0.3
131.08536	5.0
131.09444	0.4
133.10100	4.8
135.08047	1.1
135.11668	5.0
137.09660	0.4
139.11165	0.8
147.11667	1.4
149.09586	0.4
149.13232	20.1
151.11171	0.5
153.09077	0.4
159.11668	8.1
165.12729	0.3
167.14326	0.7
177.12718	3.7
184.07419	0.3
195.13773	6.4
213.14833	1.0
213.75386	0.2
237.62628	0.3
251.16530	0.6
267.15961	0.3
269.17429	50.3
270.17859	1.2
283.15530	0.4
305.76276	0.3
445.29422	0.4
460.42206	0.3
463.30487	100.0
464.30789	3.0
506.73245	0.3
589.07703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01858	1.9
55.05278	0.5
55.05508	7.1
57.03159	0.5
57.03429	8.2
57.07063	0.7
60.08141	1.9
61.02905	1.6
63.45977	0.4
65.03914	0.5
67.05496	19.2
68.05781	0.4
69.03412	1.7
69.07059	6.5
71.01337	1.4
71.04972	3.3
71.07359	1.0
71.81287	0.7
73.02903	0.9
79.05482	23.9
81.03412	4.4
81.07048	16.6
81.07537	0.6
83.04970	6.0
83.08605	5.8
85.02882	2.4
85.06539	2.1
86.09698	11.7
87.04532	0.4
91.03920	0.5
91.05467	8.1
93.07033	32.7
94.07351	0.7
95.04954	4.9
95.08591	20.6
96.08907	0.6
97.02879	3.2
97.06516	6.2
97.10149	5.0
99.04443	2.7
99.08057	0.9
100.08499	0.4
103.05481	0.5
104.10712	1.0
105.07019	5.2
107.04935	4.9
107.08580	27.4
108.08965	0.5
109.02839	0.5
109.06496	1.7
109.10127	4.9
111.04420	0.9
111.08053	1.9
113.06058	0.5
113.09579	0.4
115.05433	0.4
117.07008	6.1
119.08570	8.0
121.06499	4.0
121.10133	9.0
122.10458	0.5
124.99987	8.2
125.05950	2.6
125.09629	1.0
127.03896	0.5
130.07796	1.0
131.08563	1.1
133.10097	3.6
135.08037	1.8
135.11674	51.7
136.11993	1.0
137.09564	0.6
139.07495	0.9
143.08565	1.4
145.10109	18.2
149.13266	0.8
153.12683	1.2
163.11163	40.1
164.11504	1.0
167.77982	0.5
173.09586	0.7
181.12215	11.9
184.07321	37.7
185.07756	0.7
193.12250	0.6
199.13153	0.9
209.11711	1.0
211.20119	0.5
227.12752	35.9
228.13124	1.6
255.15886	56.1
256.16190	1.1
269.17636	0.5
270.18018	0.5
271.73788	0.5
283.15372	29.2
284.15698	1.2
395.27576	0.5
431.93115	0.4
463.26828	100.0
464.27368	4.6
564.07263	0.5
660.35022	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	660.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85358	0.5
51.68675	0.5
53.03933	1.9
55.01869	3.2
55.05246	0.7
55.05502	11.2
57.03167	0.9
57.03431	13.2
57.03709	0.7
57.07056	0.7
59.04980	1.6
60.08133	0.8
61.02920	2.9
62.44179	0.5
67.05494	26.2
68.24951	0.5
69.03435	1.0
69.07056	7.9
70.46508	2.1
71.01346	3.0
71.04980	3.7
73.02892	1.0
79.05482	25.5
79.43102	0.6
81.03405	9.7
81.07047	17.4
83.01318	3.9
83.04968	10.3
83.08608	6.4
85.02895	5.2
85.06529	2.0
86.09704	2.5
91.03939	1.4
91.05467	11.8
93.07033	38.2
94.07368	0.8
95.04958	6.3
95.08585	7.0
97.02885	2.1
97.06512	7.7
97.10151	6.7
99.04436	2.0
99.08086	1.2
105.07018	5.9
107.04941	5.1
107.08579	23.0
109.06507	3.5
109.10120	3.4
111.04442	1.3
111.08076	2.3
111.11678	0.7
117.07015	5.4
119.08553	6.5
120.08909	0.5
121.06503	2.5
121.10135	7.5
123.04390	0.8
123.08054	4.8
125.00004	1.6
125.05927	1.4
125.09611	2.2
127.03932	0.8
129.06969	0.9
130.07771	1.1
131.08536	1.5
133.10127	3.0
135.08047	1.7
135.11673	35.2
136.12013	0.7
137.09567	1.8
139.03920	0.6
139.07526	0.8
143.08479	1.0
145.10106	11.7
147.08022	1.1
147.11584	0.8
153.12721	2.1
155.08501	0.9
163.11160	16.2
173.09616	1.7
181.12206	7.7
184.07330	9.4
191.10623	2.0
199.13287	1.3
209.11708	3.8
227.12813	2.5
255.15887	60.0
256.16232	1.6
265.14359	1.6
269.17285	1.2
283.15359	37.7
284.15710	1.6
301.21033	0.6
445.25662	4.0
463.26770	100.0
464.27237	4.5
488.79254	0.5
543.37549	0.6
660.34302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
56.01372	0.4
56.05004	1.5
60.04495	1.3
65.03933	0.4
67.05470	0.5
69.03390	0.5
69.09125	0.3
70.02941	23.7
71.06081	0.6
71.22739	0.3
71.79739	0.4
71.80122	0.4
72.04482	1.1
74.02122	0.3
74.02436	3.6
76.03991	7.7
77.19898	0.3
77.98605	0.4
79.11198	0.3
80.05002	0.7
82.06545	1.3
83.04966	1.2
83.06085	2.6
84.04492	7.5
85.02880	0.8
88.03587	0.3
88.03991	2.9
95.04956	0.5
95.96880	0.4
96.04477	0.5
98.06057	0.4
99.05554	6.6
100.03960	0.5
101.47928	0.3
103.05042	0.9
107.06074	1.6
108.04465	0.4
109.07635	2.2
110.06006	1.3
111.04420	1.0
112.03931	1.6
112.04606	0.4
116.03434	3.8
117.06592	1.8
119.04922	0.5
121.01048	1.2
123.04411	0.6
124.03930	0.8
125.07098	1.6
127.05014	1.5
127.95429	0.4
128.03433	0.5
129.06573	2.9
130.04979	5.5
135.02547	0.3
135.05521	0.8
136.03902	1.0
137.07082	2.0
139.03874	0.5
145.06059	100.0
146.06395	0.8
147.04367	1.0
149.00543	5.0
150.82582	0.4
153.06567	6.0
155.08131	3.2
160.00629	2.1
161.00671	0.6
162.05551	0.4
163.02136	1.7
163.03935	2.2
165.00015	2.2
167.01575	0.7
169.06070	1.4
171.07666	0.7
177.03175	0.5
179.01593	10.2
179.03181	0.5
181.03169	0.4
181.06058	2.0
183.07686	0.7
187.05371	0.7
189.00058	1.2
191.01643	1.0
192.99568	2.5
193.03181	1.6
193.06114	0.9
194.02698	6.7
195.01089	18.7
199.07106	9.6
201.00098	0.6
203.03410	1.0
206.99187	0.2
207.01085	7.0
208.04271	3.0
209.02676	1.2
211.07104	12.7
212.07414	0.4
216.92770	0.3
218.02711	0.4
219.01117	3.4
231.04390	0.7
236.03717	6.2
237.02179	1.5
256.09216	0.9
257.04611	0.4
257.07693	1.2
264.03220	28.5
265.03662	0.7
274.10294	7.6
275.10501	0.4
297.05310	1.8
299.05402	0.6
322.03827	1.3
339.06360	5.0
347.06894	0.6
348.05194	0.4
365.07968	1.1
372.67181	0.4
393.07443	12.2
394.07996	0.5
405.07422	2.1
407.25543	0.4
409.09064	0.9
411.08386	1.0
423.08698	1.5
428.10141	1.8
433.09262	0.8
437.62286	0.3
450.09518	0.4
451.08884	0.7
468.10663	7.2
491.12073	0.5
513.11359	0.6
531.12775	7.3
539.13849	0.6
567.12848	0.6
585.13794	8.7
642.15802	0.5
643.13800	0.6
660.16980	26.9
661.17310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40833	0.3
51.02380	0.6
53.03931	2.2
55.01862	0.9
55.05504	7.7
57.03432	5.6
57.07066	0.9
59.05001	0.4
59.94917	0.4
59.96889	0.3
61.02909	1.0
65.03922	0.9
67.05494	25.5
68.05811	0.4
69.03415	1.0
69.07057	6.7
69.99474	1.7
71.01346	1.0
71.04989	2.1
73.02897	0.7
73.06533	0.9
77.03882	0.4
78.04765	0.4
79.05480	32.0
79.44517	0.4
80.05786	0.5
81.03407	5.3
81.07041	17.3
83.04964	6.5
83.08613	3.0
85.02879	1.8
85.06529	1.5
86.90640	0.3
91.03962	0.5
91.05463	20.7
92.05760	0.3
93.07028	35.6
94.07366	0.8
95.04952	7.5
95.08593	9.4
95.09193	0.6
97.02864	1.6
97.06511	5.2
97.10154	4.3
99.04465	0.4
99.08081	0.6
105.04485	0.5
105.07010	13.8
106.07308	0.3
107.04918	2.6
107.08575	15.6
109.06512	2.4
109.10159	3.1
111.08041	1.0
114.29453	0.3
115.05427	0.5
116.00195	0.4
117.07000	3.9
119.08560	10.2
121.06476	1.2
121.10125	4.2
123.08046	2.3
125.09602	0.8
127.07513	0.5
128.06212	0.5
129.06982	5.3
131.08542	1.4
133.06474	0.5
133.10121	4.8
135.08040	1.0
135.11671	17.8
137.09573	1.0
143.08546	3.0
145.10098	6.5
147.08041	1.1
147.11661	12.5
149.13272	0.6
151.11186	0.4
153.12679	0.4
156.09265	0.4
159.11757	0.4
161.09584	1.5
161.13220	3.6
163.11143	2.8
171.11659	8.4
171.12874	0.4
175.11108	0.4
181.12196	3.5
189.12714	3.7
193.12215	0.4
207.13770	9.3
225.14853	0.9
255.15875	25.1
256.16391	0.5
263.16544	0.5
267.15948	1.2
269.17432	0.8
281.17435	20.6
282.17822	0.8
297.07043	0.4
305.82794	0.4
403.61090	0.3
440.90457	0.4
443.27802	0.8
461.28918	100.0
462.29208	4.3
479.30179	0.5
605.33075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01863	17.9
55.05267	2.2
55.05503	28.7
57.03158	2.1
57.03427	34.6
57.07060	4.7
59.04984	3.9
60.75915	1.3
61.02904	4.4
65.03925	5.3
67.05493	100.0
68.05821	2.5
69.03421	37.3
69.07057	20.8
71.01353	3.7
71.04977	12.0
71.55598	1.5
72.90078	1.5
73.02904	23.9
74.65048	1.4
79.05479	51.9
81.02930	3.0
81.03407	60.2
81.07042	83.0
82.04169	1.7
83.01309	1.7
83.04970	31.9
83.08604	23.0
85.02892	32.7
85.06522	7.7
85.51736	1.5
87.04450	2.4
91.05466	37.7
93.06425	2.6
93.07027	51.1
95.04953	22.3
95.08590	25.6
97.02876	26.2
97.06507	15.1
97.10161	9.4
98.07257	2.1
99.04436	7.9
99.08072	4.0
101.02332	3.1
101.05959	2.7
103.03929	4.1
103.05441	2.0
105.07014	24.5
107.04927	17.8
107.08575	36.2
109.02871	11.0
109.06480	7.2
109.10141	48.4
111.04429	11.7
111.08070	10.5
113.06003	1.9
115.03914	2.1
115.05450	1.7
116.04727	8.1
117.06996	13.7
119.04919	2.2
119.08566	18.7
121.06501	5.6
121.10121	18.2
123.04466	3.1
123.08028	5.3
123.11653	6.0
125.05997	1.8
125.09613	10.6
127.03886	13.7
129.05466	26.4
129.06931	7.3
131.03368	5.6
131.04880	2.0
131.08546	18.1
133.06482	2.3
133.10112	15.7
135.04402	8.1
135.08044	4.7
135.11656	10.6
137.09581	4.9
139.03847	2.4
139.11150	1.9
141.06937	1.6
142.07805	1.7
143.07028	7.4
143.08530	4.8
145.04935	2.1
145.06393	2.3
145.10110	5.4
147.04289	1.6
147.08041	4.0
147.11674	12.3
149.05901	3.3
149.09602	6.6
149.12131	1.7
149.13248	22.8
151.11218	1.6
153.05415	4.5
153.09056	1.4
155.10605	2.7
157.08575	12.7
157.10077	6.1
159.07982	2.3
159.11650	11.8
163.11186	4.2
165.12744	3.2
171.06532	2.7
171.10182	3.4
171.11604	2.7
173.04460	6.6
173.09674	2.8
173.11711	16.0
173.13084	2.5
175.11133	5.9
177.12729	6.5
181.04944	2.7
181.12210	2.1
185.11708	3.7
189.11186	3.9
191.10645	2.1
193.04887	2.5
193.10609	1.8
193.12196	11.2
195.13756	13.9
199.06038	2.7
199.13246	4.4
200.14104	2.8
209.11646	4.9
211.13263	9.4
213.14780	2.5
217.07031	3.7
227.12766	7.9
229.14296	39.1
229.16418	2.8
241.13231	8.2
255.15775	2.2
267.15909	9.0
269.04398	2.5
269.12820	2.9
269.17441	51.2
273.14658	1.8
283.15363	7.4
285.16891	4.3
301.16443	21.6
339.17856	4.0
393.26276	1.8
411.27304	3.5
413.21579	8.9
423.27347	87.5
424.27850	3.3
445.20181	1.6
459.27313	3.9
460.27713	4.8
461.28879	2.1
463.29596	1.8
477.28357	12.8
478.29092	4.1
479.30423	1.9
489.30270	1.6
495.29477	17.7
565.76758	1.6
621.32861	2.3
639.33453	11.0
642.62360	1.6
657.33990	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	657.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01092	1.6
53.03929	6.1
55.01862	7.0
55.05505	24.2
55.44027	1.6
57.03433	13.7
61.02919	3.4
65.03914	2.7
67.05501	34.5
69.03421	16.6
69.07064	10.5
70.37009	3.3
70.37404	3.1
71.04978	8.1
73.02911	2.3
74.29906	1.2
79.05486	33.9
81.03410	100.0
81.07047	34.0
82.03725	2.3
83.04967	34.4
83.08614	24.3
85.02898	30.1
91.05473	35.5
93.06499	2.3
93.07037	24.7
95.04401	2.3
95.04960	29.4
95.08610	15.5
97.02879	17.9
97.06526	6.8
97.10159	9.4
98.21322	1.7
99.04442	2.9
101.02381	2.0
105.07030	31.2
107.04941	9.4
107.08577	13.7
109.02884	13.6
109.06502	5.5
109.10149	7.5
111.04442	10.9
111.08083	12.5
113.06017	2.3
115.05437	1.6
115.14442	1.3
117.06996	6.8
119.04910	1.4
119.08574	27.0
121.06474	5.8
121.10146	12.7
123.04425	1.9
123.08017	4.1
123.11687	3.6
125.09614	5.3
127.03916	9.0
129.05515	7.6
129.06972	13.7
131.08562	17.1
133.06459	6.1
133.10124	15.9
135.08041	2.8
135.11658	3.1
137.05933	1.8
137.09586	3.3
139.03864	1.6
140.76390	1.3
142.07719	2.8
143.08575	1.9
145.06477	2.5
145.10092	4.6
147.08044	4.9
147.11678	19.3
149.09586	6.2
152.90422	1.3
153.08994	1.7
153.12752	2.1
155.08530	1.6
157.10106	19.4
159.07994	1.9
159.11658	1.8
163.11182	6.5
165.12744	4.8
165.46947	1.2
169.10033	2.1
173.04430	1.9
173.09564	1.7
175.11183	19.7
177.12665	1.4
179.03311	2.4
181.12242	2.2
184.07353	2.0
189.11252	2.5
189.12773	2.5
191.10674	2.7
193.12222	49.5
194.12665	1.6
196.48232	1.3
197.13219	1.8
211.13269	80.2
219.10092	2.0
224.84555	1.4
225.12666	1.5
227.12630	6.9
229.14337	5.8
233.15445	1.8
235.09695	3.4
249.14743	2.7
267.15881	32.6
268.16046	1.7
273.14789	1.7
283.15466	4.1
285.16956	33.6
301.14307	4.6
319.15515	3.1
337.16425	2.3
341.20929	1.9
355.17654	6.5
359.21954	3.0
367.22678	4.9
378.82391	1.8
385.23715	3.9
393.18936	4.0
403.24701	3.3
411.20151	6.6
429.21219	8.0
431.27774	3.5
433.25644	2.5
441.26514	3.2
449.29013	2.4
451.26703	3.3
459.27426	27.4
460.27859	1.9
477.28583	33.8
478.28851	1.9
495.29556	40.8
522.26886	1.4
585.30389	1.6
603.31274	3.1
621.32495	9.0
639.33649	33.7
640.34308	2.4
670.10974	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	655.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.7
57.07061	1.6
67.05481	1.4
69.03416	0.9
69.07060	10.3
69.49143	7.2
71.05001	0.9
76.37546	0.6
79.05476	1.3
81.07047	5.1
83.01319	3.7
85.06529	1.2
90.50126	0.6
91.05463	2.0
93.06532	0.7
93.07041	4.7
95.04946	0.8
95.08597	2.1
105.06962	1.5
107.08575	6.6
109.02843	0.8
109.06489	1.8
109.10150	2.8
110.39356	0.6
116.16237	0.6
119.04982	0.7
119.08629	0.9
121.06484	3.7
121.10136	1.7
123.11697	16.2
127.03846	1.6
131.08533	1.3
133.10086	1.1
135.08029	5.2
135.11679	10.1
137.05971	4.5
145.10135	0.8
149.05939	0.9
149.09595	3.8
151.07498	0.9
153.05450	8.0
159.08055	5.4
162.06746	5.3
163.07520	8.1
165.05452	89.1
167.07034	0.9
169.04958	1.7
175.07552	0.9
177.05562	0.7
177.09073	13.8
178.09506	0.9
179.06950	1.0
187.07455	4.0
189.09064	1.0
191.06981	1.3
191.10631	1.2
192.57875	0.8
193.08568	1.8
201.09004	0.7
203.07050	1.7
205.08574	71.1
206.08919	0.8
207.10173	3.5
211.09641	3.4
219.10144	9.6
221.11697	45.7
223.09621	100.0
225.11182	9.3
231.10114	1.2
237.11156	11.0
243.10156	1.0
249.61908	0.7
269.15308	1.0
275.16544	1.1
277.14160	0.8
287.16388	49.7
291.15857	19.3
305.17419	14.4
316.75497	0.7
325.17783	0.7
327.19415	1.1
343.18854	2.2
343.22632	6.7
345.20566	56.3
357.20557	11.1
359.22079	5.7
363.21567	9.4
371.22034	1.3
375.21518	1.9
413.26746	6.0
431.27905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03171	0.8
53.03930	1.5
55.01864	2.9
55.05503	18.5
57.03422	3.3
57.07066	0.9
59.04966	0.8
61.02906	2.1
65.03906	0.9
65.24380	0.5
67.05492	19.1
68.05824	0.5
69.03419	4.2
69.07048	6.1
70.40477	1.5
71.04967	2.1
77.15681	0.5
79.05480	16.4
81.03407	5.3
81.07043	17.0
82.03741	0.5
83.04961	3.4
83.08603	11.3
84.08963	0.8
85.02888	3.8
85.06519	1.8
91.03934	1.0
91.05460	16.5
92.05819	0.6
93.07030	11.9
95.04958	2.9
95.08582	5.9
97.02856	1.8
97.06503	2.1
97.10151	20.7
102.29876	0.6
103.05449	9.1
105.03384	0.8
105.07007	14.2
106.07367	0.5
107.04952	3.2
107.08582	10.9
108.08936	0.5
109.02811	0.6
109.06488	2.1
109.10149	5.6
111.04445	1.1
111.08037	1.8
111.08749	0.5
115.03925	0.5
115.05443	3.0
116.06212	0.9
117.07000	26.9
119.04903	0.9
119.08562	7.8
121.06491	1.8
121.10103	3.4
123.08041	1.8
123.11697	0.7
125.09609	19.4
127.03867	1.1
128.06216	1.7
129.05490	0.7
129.06976	10.9
131.04912	1.4
131.08545	17.0
133.06464	5.0
133.10112	3.6
135.04381	0.7
135.08018	4.8
135.11653	1.2
137.09593	1.0
141.06943	5.7
143.04861	0.9
143.08522	5.6
143.10680	0.9
145.06454	5.5
145.10103	6.6
147.07991	2.5
147.11662	1.4
149.09641	3.4
151.11191	0.6
153.06979	1.1
153.09052	2.6
153.12613	0.5
155.08525	7.1
156.09288	0.7
157.06464	3.0
157.10141	3.0
159.08018	2.8
159.11649	2.5
161.09569	0.9
163.11198	0.9
163.31842	0.5
165.07097	0.8
167.08478	2.4
168.09299	0.8
169.10069	4.4
171.07986	2.4
171.10275	1.1
171.11603	4.0
173.04402	0.8
173.09555	1.8
173.11835	0.7
173.13303	1.7
175.11163	0.8
179.08543	0.8
181.10112	1.4
183.08061	0.9
183.11627	1.0
185.09604	1.3
185.13248	1.6
187.11098	0.8
187.14774	5.6
189.11185	9.6
189.12776	1.0
193.10080	0.6
193.12177	0.7
195.08173	0.6
195.11688	2.3
197.09653	0.8
197.11543	1.0
197.13208	8.2
199.11195	1.4
205.10152	0.7
207.11588	1.0
209.09801	0.6
209.13240	1.6
213.12737	1.9
215.14279	29.2
216.14656	0.6
217.12279	0.7
219.11647	0.7
221.13316	0.8
221.48434	0.5
223.11203	1.1
223.14857	0.8
227.12700	14.7
231.13918	0.7
233.13235	0.8
233.15318	1.9
237.12651	1.4
241.12231	1.4
241.15869	0.9
243.13806	0.6
245.13788	1.4
255.13910	0.9
257.15366	0.9
259.13300	1.0
269.15253	1.0
271.16824	1.7
273.18594	0.5
287.16345	0.6
289.18100	0.8
308.18491	0.6
321.22058	1.2
331.20630	0.8
339.23215	2.2
349.21585	5.3
357.24356	0.6
367.22614	11.4
385.23694	6.7
403.24753	3.3
423.25467	1.2
431.27820	0.8
441.26309	48.8
442.26401	1.4
444.28409	0.8
458.26459	1.0
459.27347	100.0
460.27853	3.5
462.29251	1.7
477.28400	12.2
478.28781	0.7
494.32336	0.7
495.28967	0.5
566.11456	0.8
603.31677	0.7
621.32343	0.7
639.33203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01860	6.3
55.05501	24.7
56.32417	1.0
57.03423	10.5
57.07059	3.3
59.04991	2.3
61.02920	2.3
65.03925	2.9
67.05494	66.3
69.03410	18.9
69.07062	13.1
71.01346	1.6
71.04981	45.3
71.12583	3.4
73.02891	1.8
73.06548	1.1
79.05479	40.8
80.05787	1.1
81.03403	100.0
81.07040	87.6
82.03771	1.2
82.07372	1.8
83.01332	1.1
83.04966	21.9
83.08605	28.4
85.02888	26.0
85.06525	8.1
87.04476	1.8
88.77988	1.0
90.50200	0.9
91.05465	53.8
93.07027	34.8
95.04946	30.6
95.08587	19.5
97.02872	16.8
97.06506	12.3
97.10161	8.2
99.04446	7.6
99.08094	3.1
103.03934	1.8
105.07017	33.8
107.04918	10.7
107.08576	25.3
109.02863	18.0
109.06497	8.8
109.10126	13.0
111.04420	12.6
111.08057	9.5
113.05991	3.0
115.05460	2.5
117.06998	7.6
119.04957	1.9
119.08569	20.8
121.06504	4.8
121.10122	15.0
123.04429	3.6
123.08076	4.5
123.11686	12.5
125.05963	1.5
125.09582	5.4
127.03916	8.9
127.07543	2.3
129.05463	4.5
129.06985	13.0
131.04922	2.1
131.08540	15.7
133.06516	3.4
133.10107	24.6
133.11113	1.5
135.04407	1.5
135.08035	4.1
135.11656	7.0
137.09642	2.6
142.07733	1.9
143.08553	3.1
145.06467	2.6
145.10126	7.1
147.04382	1.4
147.08037	3.9
147.11662	18.4
149.02336	1.3
149.05968	1.8
149.09608	7.6
149.13194	7.7
151.11189	7.3
151.31824	1.1
153.05586	1.2
153.12793	1.4
155.08572	1.6
157.10088	11.8
159.11620	5.8
161.05934	1.9
161.09639	2.6
163.07533	1.3
163.11209	3.8
165.12808	5.0
169.10133	1.8
169.12334	1.5
171.06619	2.6
171.08028	2.1
171.11679	2.3
173.04449	11.3
173.05887	1.9
173.09628	2.6
173.13274	1.7
175.11166	15.6
177.12776	5.2
181.12262	3.0
183.06425	1.2
183.13882	3.4
185.13237	1.5
187.13257	9.8
187.14658	1.2
189.05466	2.1
189.11224	2.7
191.10664	2.5
191.14250	1.4
193.12199	32.0
195.13844	3.3
201.12846	1.7
201.14857	3.8
209.11743	1.5
211.13249	42.0
213.13023	1.4
213.14781	1.2
225.14804	2.3
227.12856	3.6
229.14299	2.3
231.13788	1.2
249.14888	1.8
257.04477	2.5
257.17502	2.6
259.13492	1.7
267.15860	12.1
267.18475	1.3
269.04483	1.4
269.17511	4.5
273.14862	2.6
275.16617	1.3
277.14456	2.4
281.17563	1.4
283.15488	3.6
285.03992	1.3
285.17020	9.2
291.16061	1.9
293.17468	1.2
299.18729	2.7
301.14487	3.3
301.19955	2.3
303.15915	1.8
309.16891	1.3
319.15625	1.3
321.16986	2.7
323.09097	1.6
333.17084	1.2
333.20584	1.8
339.17950	5.2
343.22598	2.7
359.18399	1.5
363.12210	1.4
369.19095	1.2
369.23990	1.4
375.18170	2.0
377.19595	1.2
393.19260	1.9
395.20718	5.9
407.59253	1.3
411.20093	1.8
413.21896	2.5
417.26321	3.7
427.23502	3.0
435.27429	17.6
445.24579	3.8
453.28397	15.2
454.28802	1.4
459.27435	2.4
461.28922	23.3
467.29898	9.3
475.26816	2.4
477.28482	2.4
479.30011	6.0
493.27512	1.8
503.30121	1.7
511.32864	12.0
519.29645	2.2
539.31171	1.1
543.29871	1.5
545.31189	2.1
561.31006	2.3
569.31134	2.6
575.31635	1.3
579.12836	2.0
579.31635	1.6
587.32184	3.6
605.33240	5.6
623.34216	17.5
637.36255	5.2
655.36804	47.0
656.37299	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	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
50.37579	0.5
50.90579	0.6
51.02380	0.5
53.03934	6.3
55.01863	11.2
55.05502	26.2
56.05832	0.6
57.03426	18.4
57.07061	5.9
59.04988	2.4
61.02903	1.3
65.03927	3.7
65.66453	0.6
66.04752	0.8
67.05492	56.3
68.05827	0.5
69.03418	31.8
69.07053	11.5
69.51187	0.7
69.51491	5.9
71.01342	3.8
71.04978	8.7
73.02905	7.2
77.03914	0.6
79.04794	0.8
79.05478	42.7
81.03403	100.0
81.07041	39.4
82.03748	1.1
82.04190	1.1
83.01356	0.8
83.04969	25.1
83.08605	22.6
85.02888	27.4
85.06522	3.2
87.04443	1.1
88.15480	0.5
91.05463	38.1
92.05796	0.7
93.03372	0.8
93.07029	27.4
94.04172	1.0
95.01288	0.5
95.04954	36.1
95.08591	15.7
96.08894	0.7
97.02876	30.0
97.06517	7.1
97.10152	11.8
98.07280	0.7
99.04438	6.5
99.08065	1.5
101.02364	2.1
101.06013	0.7
103.03929	1.4
103.05470	1.2
105.04514	0.7
105.07010	25.2
107.04948	16.4
107.08572	17.3
109.02861	18.0
109.03625	0.8
109.06487	6.2
109.10136	23.6
111.04427	14.0
111.08063	13.0
113.02293	0.8
113.05992	1.1
115.03898	3.2
115.05460	2.3
116.04691	0.9
116.06224	0.9
117.07001	6.8
119.04916	2.1
119.08559	21.8
121.02863	1.8
121.06487	5.7
121.10118	13.4
123.04420	7.1
123.08036	4.7
123.11702	2.3
125.02342	1.0
125.06004	2.1
125.09603	10.4
125.10492	0.8
127.03902	11.3
127.11191	1.7
128.06230	1.9
129.05492	4.4
129.06975	11.6
131.03345	1.8
131.04913	1.5
131.08543	15.4
133.06479	4.3
133.10114	14.0
135.04396	6.5
135.08031	4.5
135.11661	6.5
137.05988	2.2
137.09592	3.2
139.03891	1.9
141.07011	1.4
142.07706	2.9
143.03387	1.7
143.08560	2.6
143.10590	0.8
145.04927	0.5
145.06471	3.2
145.10094	8.7
147.04387	1.6
147.08037	4.4
147.11658	15.0
149.05972	1.4
149.09570	7.7
149.13269	0.6
151.03976	0.7
151.11253	1.0
153.05431	3.8
153.09097	1.3
153.12740	4.6
155.08549	1.7
155.10663	1.5
157.05051	1.0
157.06490	1.2
157.08774	0.8
157.10089	12.8
158.05731	0.8
159.08052	1.1
159.11694	1.4
161.05968	1.7
161.09619	1.8
163.03966	1.1
163.07530	0.6
163.11147	10.6
163.12454	0.8
165.05460	1.1
165.09207	0.6
165.12735	4.4
167.08594	0.6
167.10759	0.8
169.06543	0.8
169.10164	1.7
171.06538	1.3
171.10220	0.6
171.11690	2.3
173.04449	9.3
173.05925	1.1
173.09595	3.1
173.11748	6.0
173.13136	0.9
175.11153	14.8
177.12732	0.8
179.10692	0.7
181.04939	1.9
181.12230	4.6
183.06557	2.6
183.08012	0.7
183.11662	0.8
183.13849	0.6
185.09619	0.9
185.13199	0.9
187.11177	0.9
189.09520	0.8
189.11237	4.5
189.12685	1.1
191.10658	7.0
193.12207	39.1
194.12556	0.9
195.13612	0.7
197.13312	0.7
199.04230	0.9
199.06010	5.6
199.11263	1.0
199.13277	2.4
201.12782	1.6
201.14795	0.9
205.12267	1.0
207.13861	0.9
209.11670	11.7
209.13440	0.7
211.13255	40.1
212.13617	0.7
217.12373	1.2
217.14264	1.1
219.13739	1.3
221.11659	0.6
223.13327	1.9
227.12688	12.0
229.12187	0.6
229.14308	14.1
230.14777	0.6
231.13779	0.7
235.13235	1.2
237.12817	0.9
241.14442	0.8
243.15967	0.8
247.13371	2.0
249.14868	2.1
255.16032	0.9
259.13260	1.2
261.14920	1.1
263.12784	0.6
265.14462	1.7
267.15872	17.9
268.16519	1.1
271.13290	1.8
273.14752	1.6
277.14349	0.8
281.13831	0.8
283.15369	9.4
285.16913	9.4
289.14380	3.2
295.15616	0.8
301.13608	0.8
301.16959	3.4
307.15317	1.3
309.16907	0.9
311.22015	0.7
317.13873	0.7
319.15402	1.0
321.17075	1.3
325.16467	1.1
337.16425	2.0
337.21832	0.6
347.18338	0.7
353.15988	2.4
355.17633	2.2
361.39767	0.6
363.17917	0.7
365.21085	0.9
371.16980	1.1
375.17889	0.8
383.22330	2.2
391.17267	0.7
393.19113	1.4
401.23349	1.0
403.24796	0.7
409.18741	1.8
409.25961	1.6
411.20200	2.9
421.25757	12.7
427.19745	3.7
427.27237	1.5
429.21313	0.9
439.26877	13.4
440.27066	1.1
447.27466	0.8
457.25833	2.2
465.28543	1.1
475.26770	11.3
475.32996	0.8
476.27438	1.2
477.28226	0.8
483.22083	0.7
490.29163	0.6
493.27878	12.7
494.28949	0.8
495.29468	1.5
511.28946	1.9
516.85382	0.6
517.27783	0.7
573.30774	1.1
583.30292	1.5
601.30206	1.5
619.31195	2.5
620.31781	0.7
637.31982	10.6
638.32758	1.8
655.33020	16.9
656.33618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58329	0.6
53.03934	5.9
55.01606	1.2
55.01863	13.8
55.05504	27.6
57.03431	17.8
57.07082	4.9
59.04991	2.0
61.02919	1.6
61.86089	0.9
63.27401	0.7
65.03939	4.4
67.05494	50.0
69.03420	31.1
69.07052	12.3
70.43227	3.3
71.01337	3.6
71.04978	7.6
73.02905	5.2
77.03906	1.3
79.05483	42.3
81.03407	100.0
81.07045	38.4
82.03745	1.4
82.04199	1.4
83.01326	1.2
83.04967	23.2
83.08603	22.9
84.04497	0.7
85.02892	24.2
85.06544	3.2
86.09721	1.3
87.04465	2.2
91.05467	37.6
93.06437	1.6
93.07030	29.1
94.04176	1.5
95.01297	0.8
95.04955	30.3
95.08593	18.0
97.02253	1.7
97.02877	29.7
97.03489	1.6
97.06523	9.6
97.10152	11.1
98.07322	0.8
99.04434	8.2
99.08075	1.3
101.02353	2.1
103.05480	2.0
105.07018	26.6
107.04943	16.9
107.08576	17.1
109.02865	12.9
109.06498	8.1
109.10142	18.1
111.04434	14.2
111.08059	9.3
111.11681	0.8
113.05988	2.3
115.03910	3.1
115.05432	2.2
116.04702	1.0
116.29415	0.7
117.06994	8.7
119.04947	2.5
119.08558	21.2
121.02856	1.2
121.06496	5.8
121.10132	14.4
123.04430	5.8
123.08047	5.5
123.11684	3.6
125.05985	2.6
125.09604	9.4
127.03889	9.6
127.07520	0.7
127.11193	2.0
128.06230	1.6
128.44421	0.8
129.05493	4.0
129.06978	11.5
131.04901	2.0
131.08545	17.0
133.06465	5.3
133.10121	13.0
133.11052	1.2
135.04382	4.3
135.08022	4.4
135.11670	8.9
137.05972	2.7
137.09576	3.9
139.03928	1.7
139.11169	1.2
141.06982	2.3
142.07779	2.1
143.03395	2.1
143.06992	1.2
143.08560	2.2
143.10748	1.0
145.05026	1.6
145.06496	2.6
145.10126	9.5
146.08095	1.0
147.04404	2.6
147.08006	4.6
147.11668	17.1
149.05968	2.0
149.09608	8.2
149.13214	1.8
151.03868	1.0
151.07539	1.0
151.11148	1.5
153.05431	2.3
153.06885	0.8
153.09071	1.3
153.12721	4.1
155.08540	1.9
155.10680	0.9
157.06506	1.3
157.08842	1.4
157.10106	11.9
159.08060	0.9
159.11687	1.6
161.06021	1.3
161.09619	2.1
163.03886	1.7
163.11171	14.2
165.05400	1.0
165.09113	1.3
165.12782	4.3
167.07135	1.6
169.10136	1.6
171.06522	1.8
171.08003	0.9
171.10248	1.1
171.11708	2.0
173.04494	7.3
173.05934	1.5
173.09554	3.6
173.11707	2.8
173.13106	0.8
175.11154	13.9
177.05504	1.0
177.12762	1.7
181.04950	2.1
181.12184	5.2
183.06516	1.1
183.11519	1.2
184.07320	4.1
185.06018	0.8
185.07826	1.1
185.09657	1.3
185.13338	0.8
187.07466	0.9
187.11137	1.3
189.05464	0.9
189.09413	1.0
189.11224	3.8
189.12675	1.5
191.10654	6.5
192.11215	1.0
193.12216	36.2
193.43959	0.8
199.04379	0.8
199.06075	2.9
199.11401	1.1
199.13286	1.8
203.07072	1.0
203.12718	1.0
205.08691	1.9
205.12328	1.0
207.13782	1.0
209.11697	10.8
211.13263	39.8
213.11075	0.9
217.12253	1.1
217.14238	1.0
223.13321	2.2
227.12727	13.3
229.14310	10.0
231.13997	1.1
235.09599	1.4
235.13342	1.8
241.14249	0.8
245.13774	1.1
247.13341	1.7
249.14928	2.2
253.12186	0.7
255.15958	1.1
257.04578	0.9
259.13257	1.1
261.14908	1.0
265.14355	2.5
267.15906	15.3
268.16452	1.3
269.04587	0.8
271.13263	1.3
273.14914	2.2
277.14230	1.1
283.15488	8.4
285.16956	10.2
289.14362	2.7
301.13605	1.0
301.16858	4.6
307.15536	1.4
319.15369	1.2
321.16968	1.2
325.16409	1.7
335.14880	0.8
337.16479	2.9
353.15884	2.3
355.17615	2.6
363.17834	0.8
365.21164	1.1
371.17215	1.1
375.17685	1.0
383.21805	1.1
401.23459	1.2
409.18402	1.1
409.26086	1.7
411.20059	3.4
421.25793	4.4
427.19586	3.2
429.20807	1.0
439.26868	7.0
440.27176	0.9
445.20572	1.0
447.27884	1.2
457.25980	6.5
458.26462	1.4
459.27570	1.2
475.26926	12.8
476.27429	1.9
477.28583	0.9
493.28024	11.9
495.29282	1.0
511.28870	2.7
519.29865	1.2
581.29541	1.1
583.30560	1.5
601.30072	1.6
619.31317	2.2
620.31677	0.8
637.32129	10.2
638.32788	1.3
655.33179	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	655.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
69.53274	0.2
70.04356	1.2
75.04475	0.4
79.05514	0.3
81.07040	0.4
83.13673	0.2
89.30879	0.2
91.05465	0.2
93.07043	0.2
96.85854	0.2
98.20744	0.3
103.66096	0.2
122.85871	0.2
127.28532	0.2
128.19096	0.2
178.62418	0.2
223.12247	0.2
291.19424	0.3
343.76376	0.2
377.17468	0.4
379.19800	0.2
391.19217	1.0
392.19928	0.5
393.20383	0.2
403.19592	0.3
404.20050	0.5
405.16431	1.5
405.21094	0.6
406.17358	0.4
406.21762	0.6
407.22495	4.1
408.23041	0.2
418.17563	0.4
418.22299	0.3
419.18256	3.0
419.23529	0.3
420.18829	1.3
421.19861	1.1
432.19211	0.3
433.15448	0.3
433.20566	4.5
433.25296	0.3
434.20953	4.4
435.21866	7.5
436.22501	0.8
445.20160	0.3
446.21283	0.4
447.17517	1.1
447.23035	2.2
448.18283	0.7
448.22845	1.0
449.19028	1.8
451.21487	0.3
459.22015	0.3
460.22626	0.3
461.19266	0.9
461.23776	1.1
462.20288	4.6
463.21210	4.0
464.22220	0.3
475.21222	1.4
476.22003	1.2
477.22760	1.4
478.23615	0.4
479.20602	0.7
479.25769	0.3
489.22906	0.8
493.22202	0.8
493.26837	0.4
494.23108	0.3
495.23724	1.2
503.24139	0.3
505.22424	0.5
507.19653	0.6
508.24832	1.9
509.25323	1.9
517.21991	0.4
520.24237	0.2
521.25623	12.0
522.25867	0.7
534.22687	0.2
535.26819	0.7
540.27081	0.4
547.26978	0.4
549.24908	17.2
550.25012	0.9
553.23895	1.0
563.26624	3.0
564.27209	0.8
565.26392	0.2
567.26660	0.2
577.24329	0.6
580.25562	0.4
581.27600	3.3
595.29218	11.6
596.29437	0.5
607.29205	0.7
609.27039	11.1
610.27344	0.4
623.28870	1.1
655.31165	100.0
656.31494	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.3
71.81960	0.4
75.04469	18.6
77.80461	0.2
81.07052	0.3
93.07054	0.2
103.29845	0.2
109.10242	0.2
126.01763	0.2
144.07863	0.2
172.81412	0.2
199.51918	0.3
234.28209	0.2
389.17581	0.3
390.18161	0.4
391.19171	0.7
392.20203	0.3
394.21976	0.2
403.19135	0.3
404.20053	1.3
405.16348	1.0
405.21100	0.7
406.17487	0.3
407.22479	2.6
418.17429	0.5
419.18283	2.1
420.18994	1.0
421.20184	0.9
432.19513	0.4
433.15393	0.3
433.20786	4.4
434.20963	3.1
435.21738	5.8
436.22476	0.5
446.16647	0.3
447.17297	2.1
447.23215	0.4
448.13196	0.3
448.18851	1.1
449.19046	1.1
451.21384	0.3
461.19507	11.1
462.20416	5.1
463.21194	3.4
464.22122	0.4
474.94293	0.2
475.21402	1.7
476.22107	0.4
477.23044	0.9
478.24457	0.3
479.19894	1.1
481.25952	0.5
489.22986	0.7
493.21649	1.1
494.22787	0.4
495.23618	1.2
505.22028	0.3
507.24530	1.4
508.24698	2.9
509.25415	2.8
517.22406	0.4
520.24554	0.6
521.25104	3.4
533.21906	0.8
535.27167	0.3
548.24121	1.7
549.24921	13.1
550.25360	0.5
553.24078	1.2
563.26324	0.9
565.24011	1.1
567.28265	0.4
576.23529	1.3
580.26654	0.5
581.27521	1.5
589.02136	0.3
591.26129	0.4
593.23914	0.7
595.29114	13.0
596.29346	0.5
608.26068	3.2
609.26935	2.5
623.28485	2.9
655.31165	100.0
656.31396	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	655.2755
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.01875	0.4
55.05499	0.7
57.03423	0.4
67.05499	1.6
69.07047	0.7
71.05000	0.3
79.05464	1.3
81.03414	0.6
81.07050	1.5
83.04988	0.4
83.08622	0.4
91.05461	1.5
93.07018	1.2
95.04958	0.9
95.08593	0.7
97.02930	0.3
104.33497	0.2
105.07033	1.0
107.04958	0.3
107.08576	0.6
109.10134	0.7
111.04456	0.3
117.06966	0.4
119.08570	0.7
121.10161	0.4
131.08531	0.3
133.06516	0.3
133.10115	0.5
135.11668	0.5
145.10123	0.5
147.11629	0.3
152.00192	0.3
157.10216	0.3
159.11717	0.3
176.81210	0.2
213.43765	0.2
239.11964	0.3
249.13971	0.3
251.11769	0.3
271.06018	1.1
275.11911	0.3
275.20096	0.5
289.18295	0.3
291.19620	0.7
315.13895	0.3
340.14127	0.3
341.15182	0.3
347.22052	0.3
357.42105	0.3
363.16119	0.3
376.16806	0.4
377.17447	1.2
378.18729	0.5
379.19083	0.6
389.17630	0.7
390.18738	0.7
391.14719	0.4
391.19403	2.1
392.20078	0.8
393.20847	1.2
403.19446	0.5
404.15939	0.6
404.20435	0.6
405.16397	2.4
405.21014	1.1
406.17847	1.2
406.21857	0.9
407.22458	4.0
408.22906	0.7
417.17081	0.8
418.17380	1.3
419.18286	5.7
419.23514	0.6
420.18875	2.2
421.20261	2.1
430.17374	0.3
431.18759	0.7
432.19635	0.8
433.20358	11.7
434.21094	6.4
435.21884	6.9
436.21796	0.4
437.19656	0.7
439.21875	0.4
444.19684	0.3
445.20438	0.5
446.21399	0.7
447.17636	1.4
447.22128	2.0
448.19009	1.0
449.19424	1.9
450.20319	0.7
451.21432	0.4
452.22659	0.3
461.18695	1.6
462.20230	3.1
463.21371	4.0
465.18661	2.1
475.21671	1.6
477.18460	0.5
478.19730	0.3
479.20221	1.4
480.21167	0.6
489.22647	0.9
490.20230	1.0
491.20474	1.5
493.21622	1.5
494.22943	0.3
495.20096	0.4
503.21002	0.8
505.22559	1.0
506.23123	0.6
508.21014	0.6
509.21704	0.8
517.22247	1.0
520.24823	1.3
521.25677	9.0
522.23743	0.4
523.27161	0.4
538.50958	0.3
545.21857	0.3
548.24048	1.0
549.24927	13.6
550.24994	0.9
551.23627	0.4
552.24017	0.9
553.20538	0.4
563.22839	0.5
565.24286	1.5
577.24426	9.7
578.24884	0.9
579.22528	0.4
580.26794	1.6
581.27521	2.2
583.24811	0.3
595.25427	5.3
596.26013	0.4
609.27039	3.2
623.66437	0.3
637.26526	4.9
638.26807	0.5
653.52570	0.3
655.27563	100.0
656.27936	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	655.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01857	0.2
55.05501	0.3
55.92653	0.1
57.03422	0.1
57.07080	0.1
61.02919	0.1
63.02367	0.3
65.03941	0.2
67.05476	0.6
68.99760	0.2
69.03400	0.3
69.07056	0.1
70.06570	0.2
71.04977	0.2
71.78979	0.1
71.79360	0.1
79.05479	1.1
81.03401	0.4
81.07034	0.5
83.04973	0.8
83.08611	0.1
84.08134	0.1
85.02899	0.7
85.06516	0.2
89.03903	4.0
91.03942	0.1
91.05474	0.4
93.03376	0.1
93.07025	0.4
95.04955	0.7
95.08595	0.5
96.68002	0.1
97.02873	0.3
105.07005	0.5
107.04944	1.5
107.08585	0.4
109.02870	0.1
109.10111	0.4
111.04418	0.4
115.05439	0.1
115.62984	0.1
117.03361	4.6
117.06956	0.1
118.03645	0.1
119.08572	0.2
121.06432	0.2
121.10121	0.4
123.04397	0.3
123.08025	0.1
123.11706	0.2
127.03883	0.3
131.08549	0.3
133.10117	0.4
134.03604	0.2
135.04396	12.5
135.11633	0.2
136.04706	0.2
137.02315	1.0
137.09688	0.1
139.03853	0.3
145.02818	9.1
145.10077	0.2
146.03143	0.2
147.04237	0.1
147.08002	0.2
147.11621	0.2
149.05949	0.2
149.09624	0.2
153.01819	0.9
159.11490	0.1
161.05940	0.2
163.03879	100.0
164.04208	2.7
165.01932	0.1
167.07021	0.2
171.04393	0.1
173.09593	0.2
177.05415	0.3
179.03372	0.6
181.05072	0.1
186.05450	0.3
189.05423	0.4
191.03365	3.1
192.03816	0.1
193.86324	0.1
197.04463	0.2
199.03874	0.2
201.05478	0.1
201.09081	0.2
203.03455	0.3
205.04680	0.3
213.05327	0.1
217.04936	0.5
217.08537	0.1
218.05412	0.1
219.10138	0.2
227.03372	1.1
228.04056	0.3
229.04932	0.4
235.09622	1.0
245.04417	1.4
246.04900	0.1
255.02934	1.0
256.03671	0.2
257.04498	0.3
273.03894	26.1
274.04349	1.4
285.03906	0.2
287.05417	0.2
299.05542	0.2
301.03400	7.8
302.04156	7.8
302.06860	0.1
303.04834	1.2
319.15323	0.2
335.14783	0.1
337.08932	0.2
357.20486	0.3
373.20044	0.2
391.21109	0.3
399.21808	0.1
435.07416	0.2
439.24786	0.3
457.26297	0.5
463.06534	3.9
464.07153	0.2
475.26898	1.4
493.27521	0.4
637.32007	0.2
655.23065	0.2
655.32739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
57.07055	2.0
67.05495	5.8
69.07066	13.6
71.81670	2.2
79.05488	6.9
81.07047	25.2
82.07363	1.5
83.01347	2.0
88.91315	1.1
91.05458	3.9
93.07029	10.4
95.04991	1.7
95.08604	11.9
105.07009	5.5
107.08590	10.2
109.10152	7.3
113.21354	1.3
117.07038	1.4
119.08597	3.4
121.06479	3.5
121.10126	8.0
123.11694	19.9
127.67406	1.4
131.08524	3.6
133.10158	3.2
135.08054	3.9
135.11685	14.5
136.12090	1.3
137.05945	2.5
137.13225	1.8
147.11665	4.9
147.99582	1.3
149.09628	2.8
149.13237	3.4
153.05444	9.3
159.08049	2.6
161.13170	1.5
162.06735	3.5
163.03853	1.4
163.07520	6.3
165.05466	67.0
167.06984	2.4
175.07550	1.7
177.09109	10.0
179.06992	2.4
187.07509	1.9
189.16281	1.2
191.07083	2.7
193.08607	2.2
203.07069	4.7
203.17998	2.1
205.08582	55.5
206.08926	3.6
211.09712	2.4
219.10094	5.1
221.08151	3.9
221.11699	42.0
221.13745	2.7
223.09634	100.0
224.09979	4.6
225.10406	1.3
231.10049	2.1
237.11098	2.5
243.10057	2.3
245.11658	1.8
261.11038	1.9
271.13162	1.8
287.16385	32.2
291.15881	21.3
305.17474	12.4
317.17380	1.6
323.18628	3.0
327.19446	2.1
343.18903	3.3
343.22668	8.4
345.20578	41.8
346.20786	1.7
357.20602	9.0
359.21973	1.5
363.21649	21.3
375.21402	2.8
411.25220	2.1
413.26749	9.0
431.27878	3.3
449.28772	3.0
477.29794	2.1
491.34940	2.7
549.39307	2.4
617.44397	2.3
678.62769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76091	0.2
55.05256	0.3
55.05495	1.7
56.05044	0.3
56.92047	0.2
57.05814	0.2
57.07061	0.4
58.06321	0.4
58.06590	5.6
59.28706	0.2
67.05481	0.7
69.07053	2.0
70.06568	0.2
70.69888	0.2
71.08625	0.3
71.81419	0.4
72.08146	3.1
73.06546	2.1
80.21703	0.2
81.07043	0.4
83.04985	1.5
83.08610	0.8
84.08141	0.3
85.08880	0.3
86.09690	30.9
86.64829	0.2
87.10032	0.3
93.07030	0.3
95.08590	0.3
97.10152	0.9
98.06056	0.4
98.09673	0.4
100.11239	100.0
101.06009	2.2
101.11592	1.0
107.08593	0.4
109.10174	0.3
112.07568	0.4
121.10178	0.3
123.49971	0.2
125.09600	0.5
128.10713	0.4
140.53622	0.2
143.61630	0.2
144.10210	0.3
146.11751	3.1
154.12253	0.5
154.15871	4.3
168.13795	1.4
172.13283	1.7
176.26663	0.2
182.15413	0.3
184.07281	0.4
186.14838	1.3
189.11201	0.4
196.13324	0.4
200.16418	1.4
205.08664	0.3
210.14905	0.5
214.14342	1.4
220.09962	0.3
223.09621	0.4
225.16008	0.6
228.15926	6.3
263.21265	0.3
282.20544	0.3
285.21704	5.1
309.21649	0.5
313.21259	0.6
313.24750	6.8
327.22745	1.0
327.26279	0.2
341.24313	10.8
342.24716	0.3
381.27493	0.5
409.26898	1.0
409.31577	0.2
426.33054	0.3
440.30893	0.2
454.32498	2.3
458.31747	0.4
458.83575	0.2
472.33780	5.3
481.35321	1.6
489.54327	0.2
498.35129	0.7
526.34717	0.8
540.36194	1.2
554.38098	0.3
602.45410	0.2
625.45264	30.4
626.45441	1.8
653.28009	0.6
653.44757	13.5
654.44775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3522
Annotation	Withanoside III
Peak:m/z	Relative Intensity
50.52922	1.4
51.02375	2.3
53.03938	11.9
55.01864	8.7
55.05500	32.9
57.03434	18.1
59.04984	2.5
65.03934	3.9
67.05493	75.4
68.05831	1.9
69.03419	23.9
69.07056	19.2
71.01341	2.1
71.04984	23.9
71.80003	2.0
73.02908	3.6
73.06560	2.1
79.05481	86.9
79.24747	1.5
81.03406	100.0
81.07043	74.7
82.07377	3.0
83.01327	3.3
83.04969	35.5
83.08604	29.0
85.02898	22.3
85.06550	8.1
86.09704	1.8
87.04483	2.1
91.05465	83.9
93.07027	83.4
95.04956	46.6
95.08590	37.1
97.02884	20.1
97.06503	9.2
97.10143	11.0
99.04427	7.4
99.08079	2.8
105.04529	2.3
105.07015	64.7
107.04927	19.9
107.08580	36.1
107.09126	1.0
109.02860	19.4
109.06503	13.6
109.10152	13.7
111.04430	16.1
111.08085	9.9
115.05428	2.5
117.06998	18.4
119.04937	2.3
119.08565	41.3
121.06499	8.4
121.10115	18.1
123.04391	7.2
123.08054	9.0
123.11709	4.6
125.09622	5.3
127.03884	13.3
127.07585	1.7
128.06229	3.4
129.05473	5.8
129.06969	26.8
131.04921	2.0
131.08534	17.9
133.06473	6.7
133.10095	22.2
135.04341	2.3
135.08055	4.7
135.11676	12.2
137.02235	1.6
137.09575	3.6
139.03912	1.9
140.01314	1.5
142.07820	2.5
143.08505	11.9
145.06471	4.2
145.10100	16.9
147.04382	3.0
147.08029	7.2
147.11661	47.4
149.09570	8.3
149.13251	5.1
151.03905	3.4
151.11172	4.5
153.12791	5.5
155.08511	3.2
157.06427	2.4
157.10110	13.9
159.11707	10.0
161.09624	5.5
161.13234	10.1
163.11172	12.3
165.05492	2.2
165.09041	2.1
165.12706	5.2
167.08575	2.1
169.10133	1.7
171.08034	1.7
171.11671	22.6
173.04474	7.5
173.09583	5.4
173.13370	1.5
175.11201	12.4
177.12718	4.3
181.12267	6.0
184.07314	3.8
187.11264	1.7
187.13231	3.9
189.09123	2.3
189.12738	12.4
190.34375	1.6
191.10710	5.7
193.12212	29.8
195.13788	2.7
199.13321	1.5
201.14757	2.8
201.16402	2.4
206.40344	1.9
207.13788	26.3
208.14218	1.8
209.11632	2.4
211.13266	38.3
213.12837	2.0
224.68747	1.6
225.14856	4.8
227.12712	9.3
229.14365	3.6
249.14784	2.2
267.08926	1.7
267.15869	33.1
269.04434	4.3
279.15991	1.9
281.17435	87.0
283.15466	4.4
285.03955	3.8
285.16974	13.1
287.05502	2.1
287.16330	4.6
301.14120	2.1
325.06952	2.0
327.08713	2.5
337.16840	2.2
338.23016	2.1
339.19220	3.7
351.18063	2.0
355.17490	6.0
356.28027	1.6
411.19965	3.7
425.21777	1.9
429.21118	19.6
435.27600	2.6
451.06772	1.7
451.26910	2.8
459.27255	2.2
465.27957	2.0
473.28967	76.7
474.28683	3.4
477.29114	2.8
491.23819	2.1
491.30008	38.1
492.30725	2.0
509.31082	3.4
585.10529	14.5
586.10254	2.7
595.31262	2.0
597.10602	2.0
617.33350	3.9
621.32300	7.2
635.34143	46.8
636.34515	3.4
653.16449	3.3
653.35864	23.5
654.35413	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	653.3522
Annotation	Withanoside III
Peak:m/z	Relative Intensity
50.11697	1.4
51.02369	1.4
51.20508	1.0
53.03938	10.0
55.01859	5.4
55.05504	24.3
57.03436	13.9
57.07064	1.4
57.19513	1.1
59.04977	1.9
61.02932	1.7
65.03928	3.0
67.05496	47.2
69.03423	18.2
69.07057	13.8
71.04978	7.0
73.02917	1.8
79.05483	71.7
80.81061	1.2
81.03408	100.0
81.07044	50.3
81.38378	1.1
82.03729	1.4
83.04969	31.5
83.08609	24.3
85.02905	16.9
85.06516	3.5
91.05469	67.3
91.68324	1.2
93.07033	63.4
93.10577	1.1
95.04957	34.1
95.08591	25.7
97.02882	14.5
97.06521	7.8
97.10150	7.6
99.04456	3.6
99.08054	1.6
100.29329	1.2
105.04556	1.3
105.07015	46.4
107.04936	11.0
107.08571	19.4
109.02869	11.6
109.06511	10.0
109.10152	7.3
111.04436	8.9
111.08056	10.4
115.05457	2.8
117.06984	11.0
119.08567	28.6
121.06513	5.7
121.10133	11.4
123.08086	4.7
125.09617	2.8
127.03893	7.9
127.07540	1.4
128.06178	3.4
129.05461	4.5
129.06985	24.7
129.07957	1.6
131.08548	13.2
133.06491	4.8
133.10115	14.5
135.08018	3.3
135.11667	4.1
137.09592	3.2
142.07756	2.3
143.08521	10.5
145.06491	2.4
145.10106	10.7
147.08032	7.2
147.11668	39.9
149.09608	6.3
153.12727	2.4
155.08543	1.9
157.10095	12.0
159.07990	1.3
159.11700	2.0
161.09567	3.8
161.13263	8.2
163.11195	4.9
165.09061	1.8
165.12708	2.7
169.10117	1.6
171.08095	1.7
171.11678	22.3
173.04390	1.6
173.09546	1.5
175.11163	12.7
177.12836	1.3
181.12202	2.7
185.09712	1.5
189.12750	10.6
191.10660	2.0
193.12222	34.8
207.13791	26.7
211.13260	43.2
212.13576	1.3
225.14865	1.7
227.12741	6.6
229.14339	3.6
243.63618	1.2
249.14769	2.3
267.15894	38.3
268.16187	1.8
269.15454	1.8
281.17435	68.4
282.17627	2.4
285.16974	11.1
287.05493	3.9
287.16443	2.6
337.16486	2.9
355.17511	3.3
361.20169	1.5
389.19885	1.7
411.20062	2.3
429.21124	22.3
455.27679	2.0
473.28940	95.3
474.29053	9.4
491.29999	26.8
492.30542	2.5
506.12738	1.5
515.29590	1.6
529.00787	1.3
599.32520	1.4
617.32971	2.3
635.34204	47.7
636.34198	6.9
653.35596	1.7
658.29889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.7
55.01873	16.1
55.05504	34.6
57.03429	16.8
57.07069	8.6
58.10209	1.0
59.04979	3.7
59.56359	1.0
65.03924	3.7
67.05495	59.2
69.03421	31.2
69.07057	14.6
69.65352	9.1
71.01343	4.2
71.04980	9.2
73.02902	3.6
76.90984	1.1
79.05482	60.3
81.03407	100.0
81.07044	50.9
81.07537	1.7
82.03745	1.6
82.04187	1.9
82.07400	1.3
83.01317	4.0
83.04501	2.1
83.04968	31.1
83.08610	22.0
85.02890	23.0
85.06525	3.7
91.05467	58.3
93.03421	1.2
93.07033	55.2
95.04952	37.0
95.08002	1.5
95.08595	22.7
95.09187	1.7
97.02882	33.8
97.06500	10.4
97.10159	14.2
98.20700	2.3
99.04443	6.1
99.08089	1.4
101.02365	2.2
103.03920	1.2
103.05452	2.2
105.04490	2.3
105.07013	37.7
105.07725	2.3
106.07335	1.3
107.04945	24.3
107.07896	2.1
107.08575	24.2
109.02863	17.5
109.06502	10.1
109.10143	15.9
111.04437	12.9
111.08056	11.3
113.06006	1.2
115.03915	3.2
115.05428	3.2
117.07011	13.7
118.77364	1.1
119.04916	2.1
119.08567	26.5
121.06526	7.8
121.10145	13.1
123.04404	7.5
123.08067	10.3
123.11671	2.5
125.05961	2.3
125.09619	12.7
127.03907	13.4
127.11153	1.4
128.06197	2.2
129.05452	4.2
129.06981	14.8
131.04941	2.1
131.08557	13.2
133.06441	4.2
133.10118	13.2
135.04404	4.4
135.08035	5.2
135.11682	13.7
137.05911	2.2
137.09605	3.7
139.03949	1.6
139.07607	1.6
141.07005	2.1
142.07713	2.4
143.03380	2.0
143.08533	7.8
145.05011	1.2
145.06474	4.5
145.10118	14.0
147.04410	2.1
147.08072	5.1
147.11668	21.4
149.05984	2.0
149.09625	6.4
149.13187	1.8
151.11111	2.0
153.05479	2.7
153.09047	2.2
153.12723	8.1
155.08498	2.2
157.06421	1.2
157.10095	9.2
159.11629	2.8
161.05978	2.1
161.09581	3.9
161.13246	5.7
163.11157	23.3
165.12714	2.7
169.10094	1.4
171.06572	1.9
171.11658	10.6
173.04491	10.0
173.09616	5.0
173.11717	2.7
175.07545	1.8
175.11189	7.8
181.12193	8.3
185.08101	1.2
185.09634	1.5
187.07500	1.4
187.11226	1.5
189.09071	1.2
189.11195	4.9
189.12737	3.8
191.10614	7.1
193.12206	21.9
197.04321	1.7
197.09705	1.3
199.05992	3.8
199.13188	1.5
205.12355	1.8
207.13791	11.4
209.11667	12.9
209.13271	1.2
211.13255	21.3
223.13345	2.7
225.14857	1.3
227.12730	16.8
229.14276	5.3
231.13844	1.2
233.11542	1.4
249.14841	1.5
255.15833	2.2
259.13306	1.4
261.14838	1.5
265.14270	3.4
267.15881	19.5
271.13318	1.4
273.14740	1.2
281.14343	1.0
281.17435	29.5
283.15363	18.3
285.16992	6.6
287.12936	1.2
289.14426	1.6
319.15442	1.5
323.15054	1.6
337.16040	1.9
351.18301	1.2
353.16214	5.2
355.17484	2.4
375.17902	1.8
427.19559	2.5
429.21011	6.4
437.25287	7.6
445.67465	1.2
463.27063	2.0
473.29050	48.8
491.29889	8.1
509.27039	1.9
553.32117	1.7
585.09448	1.4
595.31177	1.4
617.32190	2.3
635.34302	18.0
636.31293	2.5
651.29645	1.3
653.31537	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.9
55.10387	1.9
57.07066	4.8
65.32942	1.8
66.21714	1.9
67.05493	11.9
69.07057	21.3
69.49084	3.1
69.49495	19.0
70.07384	3.3
71.04971	3.9
71.08625	1.9
74.09692	2.4
77.58954	2.1
79.05477	7.8
81.07040	23.7
82.07397	4.4
83.01316	2.4
83.08606	3.6
89.60030	1.9
91.05463	12.6
93.07047	25.8
94.07378	4.9
94.23032	2.0
95.04961	3.7
95.08588	20.3
96.08939	5.3
100.70494	2.0
101.56664	1.9
105.07008	18.9
106.07363	5.1
107.08585	23.7
108.08870	3.9
109.06526	4.1
109.10155	16.3
110.10485	5.8
111.08035	2.1
117.07040	4.4
119.08577	17.3
120.08916	3.2
121.06548	4.5
121.10116	14.9
122.10496	2.6
123.11710	17.2
124.12041	4.5
131.08572	5.7
133.10138	10.0
134.10422	2.9
135.08084	5.6
135.11668	17.4
136.12053	7.8
142.07765	2.0
145.10149	6.1
147.11670	17.4
148.12047	8.0
149.09578	2.8
149.13286	3.6
149.19627	2.1
153.05496	7.5
159.08136	2.8
159.11644	3.7
160.11963	2.9
161.13208	3.6
162.06770	2.8
163.03821	2.3
163.07440	6.7
165.05444	29.3
166.05844	8.0
167.07077	4.8
171.11584	2.4
175.07625	2.5
177.05515	2.4
177.09143	8.3
187.07646	2.6
188.15129	2.2
189.05527	2.5
191.07106	2.6
199.15054	2.3
201.16492	2.8
203.07077	7.7
203.17982	13.2
204.18260	11.1
205.08604	36.9
206.02481	1.8
206.08931	19.0
207.09097	3.0
219.10178	7.5
221.08110	6.2
221.11731	3.7
223.09624	56.8
224.09959	27.6
225.10356	6.7
233.10663	2.4
237.11108	3.1
243.10248	3.7
271.23868	2.0
277.14359	3.2
278.57916	2.0
287.16486	8.5
288.16785	4.6
289.17307	2.5
291.15955	5.0
293.95682	2.0
305.17517	12.0
306.17798	14.1
307.17941	4.8
343.18939	6.8
343.22852	2.5
344.23096	2.1
345.20688	9.9
346.20911	10.5
347.21396	3.2
357.20529	2.6
358.20816	2.0
359.21939	2.3
363.21503	9.1
364.22058	12.4
365.22284	5.4
403.19928	2.8
404.19763	3.1
405.21002	9.5
413.26526	3.2
414.27249	3.3
415.27689	2.8
417.21402	3.2
419.22351	7.3
420.23230	4.5
431.27643	3.3
432.28287	7.3
433.23816	5.5
433.28876	3.5
434.24640	3.0
443.27972	4.1
445.25748	4.3
447.21378	3.8
449.19580	5.5
463.21545	7.7
464.21991	3.0
475.21274	2.6
477.22748	3.7
478.23367	4.8
479.24432	33.8
487.21487	3.0
491.20203	4.0
492.25305	3.4
501.22784	4.7
502.23788	2.4
507.27481	17.2
509.32339	3.1
519.23846	3.5
533.25482	3.8
537.24976	7.1
551.26660	21.8
561.25000	6.6
565.27850	14.3
566.28839	64.0
566.37604	3.6
567.29272	6.9
567.37946	3.0
575.26727	2.2
585.40240	2.9
593.27563	8.3
621.26794	12.7
635.28479	5.9
635.45825	5.4
653.29620	100.0
653.45990	3.9
654.29865	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	653.2963
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05502	0.4
57.07073	0.4
66.76846	0.4
67.05481	0.7
69.07052	1.8
70.05901	2.5
77.63177	0.4
79.05482	1.0
81.07033	1.9
83.01318	0.5
85.06540	0.4
91.05462	1.1
93.07043	2.1
95.04968	0.5
95.08606	1.7
99.21056	0.4
105.07032	1.2
107.08620	2.0
107.09240	0.4
109.10144	2.0
117.07005	0.6
119.08538	0.8
121.06544	0.7
121.10123	1.4
123.11695	1.9
131.08530	0.7
133.10107	0.9
135.07991	0.4
135.11690	1.8
143.10663	0.5
145.10088	0.9
147.11682	0.8
149.09647	0.4
149.13225	0.5
153.05452	1.0
159.08064	0.4
159.11632	0.8
163.07498	0.4
165.05452	2.9
167.06978	0.6
185.01320	0.4
189.16406	0.7
191.07021	0.6
203.07007	1.0
203.17918	0.5
205.08617	2.7
206.08969	1.0
207.64165	0.4
219.10181	1.2
221.08092	0.7
221.11684	1.4
223.09650	3.2
223.11734	0.6
224.10040	1.0
237.13797	0.6
242.33559	0.3
271.23642	0.4
287.16364	1.0
327.19720	0.7
343.18906	0.7
345.20480	0.8
345.79202	0.5
357.20493	0.5
376.17172	0.8
377.17474	1.2
389.18491	1.0
390.18707	0.9
391.19095	3.8
392.19666	2.4
393.21774	0.6
393.27914	0.5
403.19458	0.7
404.20407	1.1
405.20688	8.0
406.21420	8.1
407.22150	1.3
418.17505	0.6
419.22711	3.2
420.22983	6.2
421.17288	0.7
421.23795	12.1
422.24414	0.7
424.71100	0.4
425.26743	0.8
427.24689	0.7
432.23297	0.6
433.20334	3.1
433.24695	1.4
434.24734	1.5
435.18237	0.9
436.19000	2.4
443.28241	0.5
445.20267	1.9
445.26031	0.5
447.21844	1.6
449.19305	0.9
449.27628	0.6
450.20322	2.6
451.21088	1.7
452.22009	1.8
458.17038	0.7
459.17505	0.8
460.22769	1.8
461.23380	0.8
463.21783	0.9
464.22028	0.9
465.22812	41.0
466.23376	2.7
473.19263	2.0
475.20569	0.4
475.24924	1.4
477.22824	0.5
478.23773	0.8
479.24353	7.7
480.25085	3.5
487.21329	1.6
488.21878	4.7
489.22824	0.7
491.21005	1.4
492.21661	1.6
501.22647	1.5
503.24380	43.4
504.24872	3.3
505.22217	0.6
507.27713	3.0
508.28064	0.6
533.25470	0.8
535.27002	33.5
536.27161	2.2
547.23877	0.5
547.37201	0.5
549.39038	0.6
551.26501	5.3
561.24988	2.2
561.38043	0.4
562.25684	0.7
566.28748	0.6
579.25940	33.7
580.26416	3.2
593.27496	1.3
594.28381	12.8
595.28418	0.8
617.45575	1.1
621.27063	12.6
622.27441	1.2
635.44977	0.4
653.29620	100.0
654.29852	10.1
684.55811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.295
Annotation	Haplophytine
Peak:m/z	Relative Intensity
51.24400	0.4
55.05470	0.6
67.05453	0.9
69.07022	0.7
71.81123	0.8
79.05435	1.0
79.27061	0.4
81.07001	0.6
82.06536	0.6
83.04948	0.5
91.05418	0.8
93.07000	0.6
97.17483	0.3
105.06959	0.7
107.04903	0.7
109.10072	1.0
119.08505	0.4
138.08194	0.3
146.08052	1.6
194.71750	0.4
205.08601	0.4
216.39540	0.3
289.17972	0.6
291.19388	0.9
312.54407	0.4
376.17441	0.7
377.17667	1.0
378.18521	0.4
379.18829	0.4
390.18558	0.4
391.19138	1.6
392.20013	0.8
393.20718	1.4
405.16589	3.9
405.21478	0.7
406.17722	1.1
407.22498	6.4
408.22989	0.8
418.17474	0.9
419.18176	4.9
420.19208	2.5
421.20068	2.9
423.21521	1.1
432.19507	0.7
433.20847	5.6
434.21164	5.0
435.21817	9.8
436.22354	1.1
444.12253	0.4
446.21326	0.7
447.17712	2.1
447.22086	2.3
448.18839	1.5
449.19589	3.5
460.18829	0.5
461.18747	2.5
462.20334	6.9
463.21176	5.7
464.22000	0.7
475.21469	3.1
476.21875	0.9
479.20096	0.4
479.24963	0.5
489.22812	2.3
493.22641	0.8
494.23062	0.6
506.22849	0.6
507.20178	0.7
517.22467	0.7
519.86737	0.4
520.20227	0.4
521.25537	10.9
534.13812	0.4
534.22546	0.7
549.24927	47.3
550.25177	2.9
577.24261	1.1
581.27545	4.7
593.27490	1.1
609.26996	40.1
610.27173	2.4
653.29602	100.0
654.29950	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	651.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01546	0.9
52.45760	0.7
53.03935	1.6
55.01858	0.9
55.05509	5.1
57.07057	3.7
60.04075	0.7
60.29570	0.7
65.03919	1.3
66.04774	0.9
67.05498	14.2
69.03400	1.3
69.07057	28.8
69.37044	0.8
70.07382	1.3
70.91661	2.6
71.04973	2.8
71.08621	1.1
79.05480	9.4
81.07047	39.0
83.01318	2.6
83.04968	1.6
83.08611	4.7
85.06507	1.1
85.10164	0.8
91.05456	15.1
93.07032	19.6
94.07363	1.1
95.04961	1.7
95.08595	31.5
96.08893	1.1
97.06522	6.1
97.10179	1.9
103.05409	0.9
105.07011	28.7
106.07364	1.1
107.04967	0.9
107.08580	23.3
108.08936	2.0
109.02877	1.0
109.06490	2.5
109.09399	1.9
109.10142	33.3
110.10453	1.2
111.08070	2.4
111.11672	1.1
113.05956	1.0
117.06989	3.4
119.08556	21.9
121.06493	4.2
121.10124	18.0
122.10463	1.3
123.11691	13.4
125.09597	0.8
127.11176	2.6
129.06985	1.3
131.08551	8.3
133.10097	20.0
135.08025	5.6
135.10747	1.3
135.11674	16.9
136.11983	1.6
137.05933	2.0
137.09607	1.2
137.13261	4.1
143.08545	1.2
145.10097	10.3
146.10454	0.9
147.11670	30.6
148.11935	0.9
148.88164	1.0
149.05946	1.4
149.09552	3.9
149.13219	3.6
151.03804	1.0
153.05440	17.7
153.12669	1.0
157.10074	1.9
159.07974	3.9
159.11661	7.9
161.05922	1.4
161.09578	1.0
161.13249	6.7
162.06760	5.5
163.07509	7.3
163.11147	1.2
163.14804	2.1
165.05458	43.0
166.05841	1.0
167.05737	1.3
167.07027	12.2
171.11684	1.7
173.09592	1.0
173.13235	2.7
175.07442	0.9
175.14828	4.6
177.05449	2.5
177.09074	11.5
177.16364	3.1
178.09474	1.1
179.03320	1.0
179.06969	1.4
181.08556	0.9
184.07362	1.3
187.07471	3.8
187.14790	3.3
189.09100	2.3
189.16321	3.3
191.06975	2.7
191.17915	2.1
192.07370	1.0
193.08565	1.9
199.14824	1.5
201.16322	8.6
202.16695	1.5
203.07004	2.3
203.17920	24.3
204.18246	2.0
205.08575	66.4
205.19141	0.8
206.08961	2.3
211.09370	1.3
215.17899	3.1
217.08502	2.7
217.19490	2.6
219.10106	4.8
219.17429	3.8
220.17622	1.7
221.08099	2.1
221.11703	25.3
221.18932	7.3
222.12057	1.1
223.09621	100.0
224.10001	3.6
229.08641	1.3
229.19414	1.2
231.10164	2.1
233.11766	1.3
235.09625	5.2
237.11188	2.4
243.10101	1.7
245.11688	1.1
261.11240	1.5
261.14331	0.8
271.24075	6.1
273.14810	1.0
275.16476	1.1
283.13171	1.0
285.14798	1.0
287.16364	12.4
289.14621	1.6
289.17932	6.3
289.25049	1.2
291.15875	11.7
301.14471	1.0
303.15854	2.5
314.68359	0.9
327.19345	1.2
337.28864	2.1
341.20886	1.5
343.18896	2.9
345.20557	22.2
346.21136	1.0
347.22076	7.4
353.21213	1.2
355.22546	1.1
357.20447	4.7
359.22073	2.1
363.21481	2.2
371.22098	3.3
372.22406	1.1
389.22754	0.9
395.25122	1.1
411.24759	4.2
413.26593	6.2
423.29547	1.2
425.26797	1.6
429.26245	7.7
430.26501	1.4
431.27310	2.0
447.27414	4.6
459.27170	1.2
477.33728	1.1
489.33722	2.3
493.32895	1.6
497.32562	5.4
507.34219	1.1
511.34045	1.6
547.37714	4.5
565.38623	4.7
567.20111	0.9
583.39563	2.0
612.26202	0.9
615.44098	4.3
633.45038	33.7
634.45557	1.6
651.45740	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	651.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.30352	0.9
55.05500	8.6
57.07075	6.1
61.08844	1.0
65.03928	1.6
67.05498	18.9
69.03411	1.2
69.07062	24.8
69.47955	11.4
71.05000	2.5
71.08614	1.1
77.03947	1.1
79.05482	14.2
81.07045	47.0
83.01337	2.6
83.04988	1.7
83.08615	7.6
91.05466	22.9
93.06421	1.7
93.07029	36.0
95.04960	2.8
95.08595	50.7
96.08961	1.2
97.06509	1.9
97.10168	3.0
98.21448	2.4
103.05479	1.1
105.07014	49.6
106.07445	1.2
106.62271	0.9
106.63053	0.8
107.08578	50.0
109.06514	2.2
109.09393	1.9
109.10142	40.2
111.08126	1.4
111.11696	1.3
117.07021	5.8
119.08566	49.0
121.06482	1.8
121.10129	39.7
123.08064	2.0
123.11692	47.9
127.11237	2.3
129.07016	1.2
131.08540	14.0
133.10110	34.4
135.08015	2.9
135.11670	25.4
137.05991	1.0
137.09674	1.2
137.13258	5.8
143.08574	1.4
145.10103	19.5
147.11665	68.1
149.05972	1.3
149.09627	3.8
149.13245	11.1
151.11182	1.2
151.14859	1.4
153.05420	7.3
157.10165	1.8
158.10838	1.1
159.08040	3.1
159.11658	10.4
161.13234	13.8
162.06790	3.7
163.07518	6.4
163.14803	9.1
165.05461	18.5
165.12730	1.8
167.06999	2.2
169.89339	0.9
171.11726	2.7
173.13248	9.9
175.07404	1.1
175.14780	8.6
176.48888	0.9
177.05621	1.2
177.09100	12.3
177.16391	7.0
181.08688	1.6
185.13263	3.2
187.07568	2.9
187.14781	18.6
189.09084	1.4
189.16310	5.0
193.08621	1.0
199.14841	2.2
201.09146	1.4
201.16374	17.6
203.06995	1.3
203.16222	0.7
203.17924	46.3
205.08582	62.3
205.15868	1.1
206.08878	1.2
207.10172	2.1
208.92650	1.1
211.09665	1.9
213.16472	1.5
215.17932	9.3
217.08588	1.4
219.10216	3.0
221.11758	9.7
221.19008	3.3
223.09621	100.0
224.09938	1.4
225.11275	3.0
228.18723	1.1
229.08762	1.7
229.19547	1.9
229.56680	1.1
231.10182	1.4
235.09590	1.6
237.11133	1.7
243.10242	1.3
247.09650	1.5
269.22678	6.1
271.13287	1.3
271.24158	50.2
272.24536	1.1
273.14960	1.7
275.16458	1.4
287.16373	15.2
287.23550	1.1
288.16641	1.2
289.14432	3.3
289.25217	13.7
291.15842	12.7
303.15900	1.4
305.17447	1.8
327.19504	2.6
343.19055	2.5
343.22729	1.6
345.20557	96.3
346.21039	3.2
357.20538	5.2
363.21680	7.6
411.25647	1.9
413.26959	3.5
417.21252	1.7
429.17065	1.3
429.26492	1.4
431.18582	2.1
431.27866	1.6
445.20178	5.0
447.22418	1.1
473.19525	1.3
475.32120	3.3
477.22995	1.7
478.23599	1.3
489.19485	1.2
490.19949	1.8
491.20670	1.8
493.33029	15.7
504.21442	5.7
505.21982	6.8
506.22882	1.9
511.34186	25.7
511.41415	1.8
517.22217	1.8
518.22424	1.1
531.23932	1.7
533.25330	1.5
549.21198	1.4
559.23126	1.2
591.25922	14.3
592.26526	2.5
615.44110	9.4
619.25330	2.9
633.45062	87.8
634.45349	7.1
651.28058	67.0
651.39075	2.0
651.46069	3.8
652.28253	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	651.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05505	8.2
57.03444	1.2
57.07063	5.2
57.20307	1.0
65.03911	1.3
67.05498	20.9
69.07059	54.5
71.00467	2.2
71.00819	2.4
71.04990	6.3
71.92807	1.3
77.18828	1.2
79.05483	14.2
81.03403	1.5
81.07043	81.9
83.01314	3.3
83.04954	1.9
83.08607	5.0
88.67688	1.2
91.05466	14.0
93.07025	18.2
95.04947	2.8
95.08593	40.4
97.06529	2.8
97.10141	1.5
105.07017	19.5
107.08582	20.7
109.06493	1.5
109.10143	85.4
110.10410	1.8
111.08065	2.2
111.11748	1.5
117.07014	2.7
118.49277	1.2
119.00343	1.1
119.04881	1.3
119.08558	16.9
121.06505	3.9
121.10118	9.9
123.11688	15.6
127.11175	51.6
131.08559	7.8
133.06459	1.5
133.10107	13.4
135.08040	5.8
135.11670	11.1
137.05949	3.9
137.13219	7.5
143.08548	2.9
145.06447	1.7
145.10100	9.8
147.11662	22.0
149.05942	2.4
149.09599	2.9
149.13240	6.4
151.07504	2.8
153.05437	37.4
153.12704	1.8
157.10068	1.6
159.07990	2.3
159.11679	6.3
161.05946	3.3
161.09590	2.0
161.13219	4.9
162.06740	5.5
163.07561	8.0
163.14807	4.5
165.05447	27.4
167.07019	15.2
173.13220	3.1
174.98878	1.2
175.14784	6.7
177.05447	14.4
177.09090	13.3
179.07027	2.3
184.07352	1.6
187.07491	4.4
187.14792	3.4
189.05435	7.1
189.09134	2.9
189.16364	3.2
191.07019	13.6
193.08566	1.9
201.16397	7.4
203.06972	6.6
203.17949	14.9
205.08582	69.9
206.08958	1.8
215.07060	1.5
215.17915	2.8
217.08569	5.3
219.06606	1.5
219.10170	4.5
219.17400	4.5
221.08095	2.5
221.11713	15.9
221.18935	3.0
223.09622	100.0
224.09941	2.3
229.08531	13.8
231.10123	14.5
233.11691	2.8
237.11128	2.1
243.10149	11.6
245.11671	9.5
247.09618	7.8
247.13254	1.4
249.11037	1.7
255.10193	1.8
257.11606	2.3
259.13321	4.7
261.11240	3.5
267.91589	1.3
269.11743	2.0
269.22485	1.7
271.13309	1.7
271.24176	8.4
273.14902	2.6
275.12845	2.5
275.16281	1.6
283.13708	1.6
285.14877	3.7
287.12973	2.9
287.16406	7.9
289.14267	2.6
289.25290	2.6
291.15875	5.2
299.16412	8.3
301.14334	3.0
315.19501	12.1
327.16095	1.6
327.19388	9.3
341.21109	4.2
343.18948	2.3
345.20541	25.2
353.21033	3.1
355.22369	1.9
357.20422	4.9
359.22006	5.4
363.21317	3.5
371.22131	9.1
383.25781	12.3
385.23676	2.3
389.23053	2.3
393.24084	2.7
401.26959	1.3
404.38068	1.3
409.27301	5.7
411.25421	10.2
413.26450	1.6
427.28577	7.7
429.26294	26.0
445.25809	1.7
447.27386	18.5
453.29166	1.4
459.27414	1.3
460.21426	1.7
493.32867	1.8
495.34250	1.5
511.33804	3.0
515.33533	12.2
529.19073	1.6
547.37817	1.8
552.79120	1.4
565.38373	2.3
581.72058	1.3
591.28540	1.5
600.61743	1.4
615.43738	4.0
633.44983	18.5
649.27087	1.5
651.30408	9.5
651.46393	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	651.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.05511	11.6
57.07063	7.8
57.76629	1.8
59.08348	2.2
67.05498	20.2
69.07059	30.0
71.04984	6.0
71.81969	4.5
79.05481	16.1
81.06598	3.9
81.07047	49.6
83.01330	4.0
83.08604	8.0
91.05470	30.8
93.07036	40.6
95.04951	3.1
95.08596	63.7
97.10147	2.7
105.07018	51.9
107.04964	2.1
107.08582	49.7
109.10145	41.9
117.06990	9.7
119.08571	55.9
119.20129	2.1
121.10133	40.6
123.11697	45.1
127.11132	1.9
131.08553	17.9
133.10117	37.7
135.08067	5.2
135.11684	23.6
137.13258	4.9
142.60931	2.0
143.08536	6.1
145.10120	24.0
147.11665	73.0
149.09607	4.4
149.13248	11.5
149.59087	2.6
152.61571	2.5
153.05446	8.8
157.10150	4.1
159.08005	3.3
159.11668	15.4
161.13248	12.3
162.06747	4.2
163.07532	6.1
163.14796	10.3
165.05469	30.2
167.07047	8.4
171.11702	2.5
173.13272	8.7
175.14833	5.2
177.05466	2.6
177.09093	12.4
177.16333	3.4
183.11778	2.5
185.13269	5.8
187.07547	4.0
187.14781	25.5
189.16403	7.0
199.14795	5.4
201.16357	20.1
203.17943	52.6
205.08583	64.6
213.16429	3.3
215.17937	11.3
219.10023	5.1
221.11688	9.8
223.09625	100.0
224.09868	2.2
225.11212	4.8
229.19554	4.0
243.10126	3.2
259.16647	3.2
261.11258	2.8
269.22641	8.1
271.13141	2.9
271.24179	52.8
287.16403	19.3
289.14496	3.0
289.25226	4.5
291.15845	8.0
305.17487	4.5
332.65863	2.1
343.18970	4.0
345.20557	82.3
355.22623	2.8
357.20462	8.5
363.21597	9.3
373.23749	2.5
413.26990	5.6
475.31989	4.5
493.33060	28.3
511.34192	19.4
565.38971	5.9
615.43958	48.9
616.44482	2.8
633.45135	75.9
634.45184	3.1
651.28406	4.9
651.37878	5.9
651.46869	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	650.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.4
57.07056	0.3
58.06614	0.4
59.07369	0.1
60.08155	5.9
67.05483	0.9
69.07056	0.3
70.06583	0.1
71.07362	2.6
71.08606	0.2
71.81165	0.2
79.05463	0.1
79.74196	0.1
81.07053	0.4
83.08675	0.1
86.09692	29.3
87.10018	0.4
91.05463	0.3
91.71762	0.1
93.07025	0.3
94.07335	0.1
95.04959	0.2
95.08607	0.3
98.98447	2.2
104.10719	1.9
105.07017	0.3
107.08569	0.3
109.10136	0.4
119.08588	0.2
121.10134	0.2
123.11688	0.1
124.99984	18.7
129.82288	0.1
133.10110	0.2
143.01022	0.4
145.10121	0.2
166.02681	0.2
167.07111	0.1
168.79512	0.1
173.09604	0.6
181.05840	0.1
184.07314	100.0
185.07689	1.0
192.43234	0.1
205.08702	0.2
219.17360	0.1
223.09622	0.3
252.52229	0.1
397.81750	0.1
457.98654	0.1
496.33624	0.2
509.38431	0.3
650.43860	9.2
651.27722	0.2
651.45129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	1.7
51.02359	1.5
53.03937	15.4
54.52739	1.6
55.01858	13.0
55.05505	29.0
55.76836	1.6
57.03426	16.3
57.07039	1.6
59.04980	4.1
60.86767	1.4
65.03921	4.3
67.05146	3.1
67.05494	60.1
68.05824	1.7
69.03425	28.0
69.07065	15.5
71.01345	2.3
71.04978	11.1
73.02895	2.3
73.06523	2.4
77.03902	2.0
77.18114	1.4
79.05480	87.5
80.05808	2.0
81.03407	100.0
81.07045	61.8
83.01323	6.1
83.04513	2.7
83.04968	37.7
83.08606	14.3
85.02891	16.5
85.06523	4.8
86.21681	1.3
90.58688	1.6
91.05465	67.7
91.49321	1.3
93.07030	79.8
94.07373	1.7
95.04956	35.7
95.08589	30.5
97.02870	19.0
97.06516	11.1
97.10142	11.3
99.04422	12.6
103.05417	2.1
105.06342	3.1
105.07014	48.0
107.04939	31.0
107.08575	34.0
109.02856	19.8
109.06503	12.1
109.10135	7.7
111.04430	13.9
111.08070	7.4
114.44794	1.4
115.05383	3.2
117.07001	23.7
119.04974	2.0
119.07753	2.0
119.08562	32.2
121.06498	8.1
121.10133	14.4
123.04398	3.8
123.08044	9.7
125.05940	2.6
125.09560	3.7
127.03897	21.3
127.07553	2.6
128.06181	6.6
129.05472	3.8
129.06979	24.3
130.07771	2.6
131.04897	3.7
131.08557	14.3
133.06425	3.9
133.10127	14.2
135.08051	4.9
135.11678	17.7
139.07462	1.9
141.06888	2.0
141.09009	1.9
143.08546	14.0
145.05074	1.6
145.06435	5.8
145.10097	27.8
147.08031	9.4
147.11664	28.5
149.09569	3.0
151.03828	2.0
151.07520	1.8
151.11226	2.2
153.12724	12.2
155.08470	5.9
157.06425	2.6
157.10065	3.8
159.07990	3.4
159.11630	3.2
160.12054	1.7
161.09583	5.6
161.13211	11.7
163.03824	1.7
163.11168	29.1
169.10031	4.0
171.08047	2.8
171.11662	23.5
173.04381	3.4
173.05812	1.9
173.09604	5.9
173.13155	2.2
181.10034	1.9
181.12251	8.8
184.07390	2.2
185.09644	2.2
189.09189	1.6
189.11205	2.9
189.12730	9.2
191.10677	10.9
193.12181	2.1
207.13773	29.7
209.11647	7.6
213.16402	1.8
225.14801	2.3
227.12747	22.6
241.15857	2.6
259.16913	1.8
265.14395	8.8
269.04373	3.8
269.15274	4.4
275.20120	2.1
279.15790	3.0
281.17453	62.6
283.15372	37.8
287.16507	8.5
311.14859	2.9
317.13724	1.7
331.15228	1.8
335.14862	2.4
351.18112	3.6
353.15961	10.1
361.20096	2.4
389.19138	2.1
409.18890	2.4
425.21426	4.0
427.19608	31.3
454.19330	1.9
471.27216	24.6
489.28333	39.4
503.29233	1.8
507.29855	2.9
531.29480	1.7
569.30933	4.7
615.30975	2.1
633.32562	58.5
634.32806	2.0
651.32593	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	649.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
57.03430	2.6
57.07065	9.8
57.89517	0.5
67.05498	3.6
69.03410	0.8
69.07053	11.4
69.77667	1.2
69.78081	2.1
71.16277	0.5
79.05468	3.2
81.03461	0.5
81.06565	0.6
81.07046	12.1
83.01319	3.6
83.08599	1.2
85.06516	0.8
91.05470	4.8
93.07024	8.2
95.04932	0.7
95.08588	9.2
97.10177	0.7
105.07018	6.7
107.08569	10.1
109.06499	1.6
109.10126	6.7
109.31026	0.5
110.10502	0.5
117.06969	1.6
119.08550	5.1
121.06477	2.8
121.10117	7.6
123.08119	0.6
123.10786	0.8
123.11686	15.6
127.03909	0.9
129.07013	0.8
131.08540	2.5
133.10120	5.4
135.08049	3.2
135.11674	11.3
137.05942	2.2
137.09619	0.6
137.13213	0.8
139.03874	1.0
139.07541	0.9
143.65094	0.5
145.10098	5.5
147.11649	8.6
147.12733	0.8
149.05923	2.0
149.09633	2.5
149.13202	2.2
153.05424	6.3
155.07011	1.0
155.08513	0.7
157.10060	0.9
159.11678	1.7
161.05910	0.6
161.13222	5.6
162.06783	0.7
163.07513	4.8
163.11162	1.5
163.14810	0.6
165.05447	44.7
166.05693	0.5
167.07014	38.1
171.11621	0.5
173.09621	2.2
173.13242	0.6
175.07487	1.2
175.14751	1.4
176.08307	1.4
177.05510	2.7
177.09067	12.3
177.16312	3.3
179.06953	1.5
181.08441	0.8
187.14716	0.6
189.09164	0.6
189.16371	2.5
191.06972	3.4
191.10596	6.7
191.17921	1.4
195.06563	0.6
199.14767	0.6
201.09056	4.4
201.16360	4.7
203.10527	0.6
203.17920	18.6
204.07831	1.6
205.08560	6.9
205.19479	1.8
207.10149	1.0
215.17902	1.0
217.08646	1.0
217.19576	1.2
219.10126	66.9
219.17331	1.1
220.10435	1.4
221.11693	30.5
223.09608	4.3
225.11160	1.5
231.10188	1.0
233.11700	3.8
237.11172	100.0
238.11511	2.0
243.10225	0.9
243.20972	0.8
245.11794	1.0
245.22615	5.0
247.13297	0.7
251.12775	3.6
257.11713	1.4
259.13336	0.6
261.11383	0.6
271.24438	0.5
275.12708	2.9
275.16278	0.8
285.14789	1.4
287.16376	7.3
289.14685	0.5
289.17920	12.9
289.25085	0.8
291.15744	0.8
303.15768	1.6
305.17462	8.6
317.17386	1.1
327.19321	0.7
337.28647	1.0
339.30444	1.5
341.20990	1.2
343.18805	0.7
343.22525	1.3
345.20520	1.2
357.20343	0.8
359.22122	25.1
371.22025	1.2
373.23578	1.3
411.25235	1.3
427.28290	1.0
429.26123	1.6
491.28400	0.9
491.35141	14.2
545.39691	2.0
547.41394	0.9
561.39221	1.1
563.40930	12.8
575.40845	1.7
631.46667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.4
53.03933	2.0
53.51294	1.6
53.81834	1.6
55.05500	11.6
57.03426	2.8
57.07058	5.6
65.03938	1.8
67.05496	17.2
69.03413	3.2
69.06680	2.8
69.07057	51.7
69.50562	15.9
71.04971	5.5
77.03899	1.8
79.05484	19.8
81.07043	42.2
83.01328	8.1
83.04968	2.8
83.08607	4.6
88.02165	2.2
91.05467	26.0
91.94782	1.4
93.07033	65.0
95.04951	6.3
95.08595	50.3
97.06517	2.1
97.10153	6.6
98.20649	3.7
104.29906	1.5
105.07006	35.1
107.04976	1.9
107.08579	82.4
108.21243	1.6
109.06509	8.1
109.10147	28.4
111.07990	1.6
117.07005	9.2
119.08569	26.8
121.06502	3.5
121.10125	33.2
123.04401	1.5
123.08058	2.1
123.11682	18.8
125.09625	2.7
129.06967	2.3
131.08559	12.0
133.10115	20.7
135.08043	9.7
135.11673	100.0
137.05957	5.8
137.09593	2.2
137.13257	7.9
143.08563	4.6
145.10121	28.9
147.07962	2.2
147.11679	10.6
149.05914	2.7
149.09613	4.9
149.13246	7.4
149.85599	1.7
151.07515	2.3
153.05463	18.1
153.12711	8.0
155.08609	2.2
157.10095	4.5
159.08057	5.8
159.11684	15.1
161.09673	2.6
161.13220	7.9
162.06770	4.2
163.07524	10.0
163.11159	5.4
163.14772	2.4
165.05467	42.0
167.07028	10.3
171.11642	2.8
173.09586	3.4
173.13248	4.8
175.14771	4.1
177.05444	3.7
177.09084	18.8
177.16364	6.5
179.07034	3.4
181.08575	3.3
185.13289	3.8
187.07593	2.6
187.14876	2.0
189.05458	1.6
189.16370	6.1
191.07007	8.4
191.10658	4.5
191.17986	9.1
192.07828	2.4
193.08495	3.4
197.13295	2.0
199.11218	1.7
199.14856	5.6
201.09026	4.7
201.16370	31.7
203.07051	4.9
203.10641	2.5
203.17850	8.6
205.08572	65.5
206.08987	2.4
207.10121	3.2
213.09056	1.8
215.07010	2.1
215.18013	1.8
217.08580	7.0
219.10150	44.4
219.12128	3.1
219.17398	33.0
220.10814	2.1
220.17610	2.2
221.08214	2.6
221.11684	28.7
223.09612	77.2
224.09937	2.0
224.12051	1.6
229.08578	3.3
229.12128	2.3
231.10254	2.5
233.11650	2.5
235.09625	2.2
237.11194	5.7
243.10139	6.6
245.11600	3.5
247.13272	4.2
257.11737	2.6
259.13235	2.3
261.11295	4.4
269.11740	2.8
269.22739	1.9
271.13144	3.3
287.16425	15.0
287.23718	2.6
289.14511	2.4
291.15903	3.5
311.16550	1.7
317.20935	2.3
325.17819	3.4
327.19534	3.0
329.88602	1.8
339.19382	3.4
341.21124	12.5
343.18945	4.0
343.22711	1.7
345.20615	14.1
351.19638	1.5
353.21024	15.1
357.20743	7.1
359.22064	5.6
360.22925	1.6
369.20535	2.4
371.22067	17.7
379.22559	2.1
393.24112	3.2
395.29010	2.2
407.26318	1.7
409.27365	7.1
411.25229	39.9
412.25909	1.8
423.24268	3.7
423.28918	6.3
425.26712	3.0
427.24808	5.6
429.26328	85.2
430.26703	2.3
437.30405	2.4
441.25998	5.0
441.30359	4.8
475.31992	3.4
479.31461	4.6
491.35049	2.4
493.33191	3.8
497.32535	6.0
505.32959	1.8
509.36490	8.7
543.38434	1.7
545.35950	7.7
561.39258	11.4
562.39758	3.2
563.37152	8.8
579.40076	3.8
581.38239	5.8
595.40430	1.8
613.42426	6.2
631.47125	20.8
649.45819	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	649.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01848	1.2
55.05509	10.5
57.03422	1.1
57.07069	13.0
65.03922	1.6
67.05499	15.7
69.03429	2.6
69.07064	38.4
69.68118	4.3
69.68548	4.7
71.04981	4.2
71.08613	1.7
77.03948	1.2
79.05486	17.9
81.06608	2.1
81.07051	31.0
82.07388	1.3
82.16908	0.9
83.01338	5.9
83.04973	3.7
83.08602	3.1
85.06528	4.4
91.05468	21.2
93.07036	61.3
95.04954	6.5
95.08006	1.9
95.08598	35.8
96.08912	1.5
97.06491	2.0
97.10149	4.0
98.21453	1.9
100.47270	1.0
105.03336	1.5
105.07021	29.5
106.07314	1.0
107.08584	81.5
108.08919	1.4
109.06500	7.5
109.10148	21.9
109.13557	1.0
111.08058	1.3
113.05970	1.5
115.05425	1.2
117.06992	6.5
119.06023	1.1
119.08571	24.4
121.06465	4.9
121.10136	28.7
123.08029	5.1
123.11698	22.9
125.09624	2.5
127.03899	2.2
127.11204	2.0
129.06938	2.4
130.07813	1.4
131.07637	1.8
131.08565	13.1
133.06508	1.1
133.10120	20.1
135.08055	7.0
135.11682	100.0
136.11983	1.5
137.05991	4.1
137.09628	2.6
137.13261	5.1
139.07504	1.5
143.08542	5.8
145.10118	24.0
146.13353	1.1
147.08000	2.8
147.11691	13.8
149.05992	2.5
149.09599	5.6
149.13266	6.2
151.03809	1.2
151.07524	2.1
153.05461	27.6
153.12703	6.4
155.07219	1.1
155.08485	2.4
157.10143	4.0
159.08072	5.1
159.11702	13.8
161.05957	1.6
161.09607	3.6
161.13248	7.0
162.06776	1.7
162.65024	1.0
163.07552	8.5
163.11179	5.8
163.14825	4.4
165.05466	54.9
165.09183	1.3
167.07028	11.8
167.10670	1.3
169.10097	1.5
171.11655	5.0
173.09621	2.5
173.13193	5.4
175.07538	2.6
175.14752	5.9
177.05490	4.1
177.09085	14.8
177.12610	1.8
177.16353	13.8
177.66113	1.1
179.03360	2.5
179.07036	3.4
181.04979	2.5
181.08569	1.8
181.10065	2.5
183.11623	2.0
185.09564	2.0
185.13298	2.4
187.07512	4.4
187.14778	3.8
189.05501	2.6
189.09103	2.5
189.12679	1.4
189.16379	4.3
191.07030	9.5
191.10620	2.4
191.17943	3.6
192.07629	1.5
193.08630	2.8
195.11667	1.4
197.04471	1.1
197.13211	1.4
199.14801	3.5
201.09126	1.6
201.16379	31.3
203.06998	3.7
203.10681	1.6
203.17928	10.2
204.07887	1.4
205.08595	53.4
205.15862	2.1
205.19427	1.6
206.08774	1.6
207.10159	1.5
207.17516	1.7
211.09579	2.3
211.14775	1.4
213.12663	1.5
213.16454	1.2
215.10722	1.4
215.17833	1.6
217.08601	6.1
217.12241	1.3
217.15848	2.0
219.06641	2.5
219.10144	21.4
219.17422	32.1
221.04749	1.2
221.08118	2.8
221.11708	18.7
223.09621	62.3
225.12753	1.3
227.10683	1.8
229.08495	2.2
229.12160	1.3
231.10190	3.3
233.11720	2.3
235.09608	6.0
235.13100	1.4
237.11198	21.6
243.10149	2.8
243.13826	1.5
243.17448	1.8
245.11708	1.9
247.09598	1.5
255.13725	1.6
257.07864	1.5
257.11630	2.8
257.15466	1.7
259.13425	1.6
261.11102	1.3
271.13318	2.8
271.24338	1.4
273.14908	2.2
275.13220	1.7
275.16422	5.3
285.14679	2.2
287.16388	18.6
287.23624	1.3
289.14157	1.4
289.17450	1.6
289.25250	2.8
291.15836	6.4
297.18213	1.1
303.15900	1.6
305.17496	10.9
311.16397	1.9
313.21539	1.4
325.17896	2.8
327.19507	2.6
331.22702	6.7
339.19522	2.0
341.21063	3.5
343.18954	2.1
343.22711	4.7
345.20572	19.3
345.24716	1.5
351.19638	1.9
353.20956	5.4
355.22540	2.2
357.20465	5.6
359.21942	5.8
363.21692	5.8
369.20456	3.2
371.22113	11.7
377.23526	8.6
377.27933	2.4
389.23199	4.0
393.23999	3.1
395.29474	1.7
409.23029	1.8
409.27676	2.3
411.25296	14.1
413.26984	3.0
419.29416	1.5
423.25140	3.6
425.26776	3.2
427.24515	3.0
429.26328	23.6
431.27740	1.4
441.26151	8.8
447.27136	3.4
459.27356	1.2
475.32034	3.0
479.31821	1.6
491.31635	4.3
493.32968	4.6
497.32278	5.4
509.32581	4.8
527.35339	1.2
543.37927	1.9
545.35962	7.0
549.14270	1.3
561.40002	5.0
563.37091	18.1
581.37958	6.4
613.42596	5.6
631.43396	18.0
632.44232	1.7
649.44598	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	649.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01857	1.2
55.05500	5.7
57.07068	3.0
65.03935	1.2
67.05497	11.1
69.03418	1.4
69.07057	26.2
71.04979	3.9
79.05480	11.2
81.07043	21.4
81.07501	1.9
83.01343	2.7
83.04913	1.4
83.08626	2.6
85.06540	1.2
85.15337	0.8
90.45332	0.8
91.05467	17.5
93.07027	33.0
95.04961	4.5
95.08588	19.6
97.06461	1.2
98.20765	2.4
105.07006	21.4
107.08578	36.6
109.06509	3.1
109.09417	1.9
109.10138	24.9
111.08058	1.1
111.11717	1.4
117.07017	3.3
119.08560	18.3
121.06467	4.2
121.10129	12.3
123.08051	2.6
123.11684	15.5
125.09621	1.6
127.03857	1.0
129.06963	1.9
131.08546	7.5
133.06525	1.0
133.10110	12.6
135.08069	5.0
135.10648	1.9
135.11671	36.0
136.11978	1.7
137.05954	1.6
137.13214	1.8
138.22850	0.9
139.11244	1.0
143.08539	2.7
144.09335	1.1
145.10077	13.1
147.11659	17.0
148.11980	1.2
149.05962	1.6
149.09605	4.0
149.13275	2.6
151.03914	1.0
153.05428	13.7
153.12738	2.5
157.10147	2.1
159.08054	4.4
159.11694	10.1
161.13261	7.3
162.06705	3.0
163.07520	8.2
165.05457	40.8
166.05792	1.5
167.07051	6.1
169.04938	7.2
171.11606	1.8
173.13269	3.2
175.11243	1.4
175.14810	2.8
177.05458	1.7
177.09055	14.6
177.16374	2.1
179.03378	1.6
179.07053	1.3
185.13242	1.9
187.07501	4.4
187.14845	1.9
188.15408	0.9
189.16335	1.8
191.07065	2.6
191.10635	1.2
191.18010	1.1
193.08635	2.3
199.14766	2.5
201.16330	12.0
202.16896	1.0
203.06926	1.6
203.10724	1.1
203.17937	13.7
205.08566	66.9
209.15419	1.1
211.09624	2.3
211.14911	1.0
217.12114	1.0
219.10170	3.4
219.17508	4.9
221.08061	1.0
221.11710	7.0
223.09615	100.0
224.09996	1.9
225.16261	1.0
229.08389	1.5
229.19543	1.3
231.10056	2.5
237.11229	3.1
239.08995	1.3
243.10126	1.4
245.11696	1.5
259.12997	0.9
261.11179	2.2
269.22577	1.4
271.13174	1.6
271.24106	1.3
285.14856	1.7
287.13257	1.4
287.16406	23.1
287.23608	2.1
288.16751	1.5
289.14273	1.9
291.15897	3.9
301.14420	1.0
305.17480	6.8
313.17981	1.1
325.18176	1.3
327.19766	1.3
339.19391	1.1
341.21094	2.4
343.19003	5.5
343.22513	2.0
345.17285	1.4
345.20557	37.3
346.20822	1.1
353.20917	1.2
355.22745	2.2
357.20389	6.6
363.21585	5.8
369.20364	1.0
371.22049	3.4
375.21735	1.6
387.21695	1.7
389.23218	11.9
411.25244	3.9
413.26849	9.9
423.24640	1.1
425.26715	2.0
427.24670	1.2
429.26328	10.0
441.26163	2.5
445.25665	1.5
447.27335	30.9
459.27438	2.1
475.32065	2.0
480.44067	1.1
493.33322	1.3
497.32736	2.4
505.34152	1.2
509.33224	1.2
511.34036	2.2
515.33527	2.6
545.36017	2.0
563.37073	6.2
579.39691	1.0
581.38208	6.4
613.42493	1.4
631.43713	4.6
649.44476	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	649.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.2
55.05494	9.6
57.07071	15.0
58.12305	2.0
63.28383	2.0
63.60970	2.1
67.05499	30.5
69.03414	2.8
69.07062	47.4
69.31841	2.3
71.04977	11.4
71.08630	2.5
71.43097	5.1
75.63203	2.8
79.05492	20.4
80.20013	2.2
81.03400	3.0
81.07047	48.7
83.01353	3.1
83.04969	5.2
83.08591	5.6
85.06551	4.5
91.05470	26.4
93.06438	3.0
93.07031	61.4
95.04951	7.9
95.08599	34.2
97.10149	6.0
105.06325	3.3
105.07028	50.1
107.04979	3.4
107.08579	63.9
109.06492	8.2
109.10146	100.0
111.08066	3.1
111.11699	3.1
117.07010	10.1
119.08562	41.5
121.06466	3.8
121.10129	45.5
122.10480	3.1
123.08056	4.5
123.11685	28.7
125.09608	6.1
127.11180	28.5
129.07036	3.6
131.08557	20.9
133.10109	34.7
135.08011	7.0
135.11682	66.1
137.05949	5.9
137.09688	3.2
137.13243	5.2
143.08540	7.9
144.09293	4.5
145.10110	38.8
147.11671	19.4
149.09586	7.3
149.13234	12.7
151.11198	3.9
153.05450	23.4
153.09125	3.1
153.11548	3.1
153.12717	5.2
155.08504	2.8
157.10162	7.2
159.08047	6.5
159.11670	28.3
161.09627	4.5
161.13213	24.6
162.06735	3.1
163.07527	10.9
163.11157	9.3
163.14874	2.8
165.05466	63.6
165.09129	5.8
167.07011	6.2
171.11647	4.7
173.09549	3.5
173.13254	5.4
175.14825	9.7
177.09100	16.7
177.16376	5.0
183.11688	2.7
184.07358	4.6
185.13249	3.9
187.14847	3.1
189.16298	3.8
191.06995	5.1
193.08592	3.8
201.09036	3.3
201.16371	26.9
202.16757	4.0
203.06978	4.8
203.14388	4.3
203.17970	13.1
205.08575	67.0
206.08942	3.4
215.17914	3.3
217.08487	4.0
219.10236	12.7
219.17442	15.4
221.08118	3.9
221.11665	16.7
223.09636	93.0
223.14503	2.9
231.10136	2.7
235.09650	4.5
237.11221	7.1
243.10115	4.3
269.22629	4.7
271.13208	3.1
275.16382	3.3
287.16354	35.0
287.23630	4.4
289.25201	6.8
291.15930	8.5
297.18845	3.5
297.21939	14.1
305.17438	9.1
315.23175	40.0
325.18091	3.1
327.19604	4.8
343.18936	7.0
343.22632	5.7
345.20520	54.0
353.21307	4.7
357.20633	12.3
359.22305	4.3
363.21561	10.3
364.90472	3.2
371.22009	5.5
389.23181	3.3
411.25189	5.1
413.26926	7.6
429.26431	9.8
447.27301	5.1
475.31757	3.6
493.33328	3.4
541.31189	2.6
545.36133	5.3
561.38733	3.7
563.37091	4.4
579.40131	5.0
581.37415	6.1
631.43420	11.0
649.44788	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	649.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.6
53.03943	9.5
55.01854	6.8
55.05504	23.4
57.03429	14.3
65.03941	7.3
67.05493	62.7
69.03421	18.6
69.07055	15.1
69.65726	11.2
71.04991	7.9
73.02905	1.9
73.06541	1.8
79.05479	100.0
81.03401	43.2
81.06548	1.9
81.07043	58.4
83.04970	23.1
83.08611	10.4
85.02900	13.3
85.06518	5.3
91.05466	92.0
93.07030	87.4
95.01279	1.8
95.04955	36.8
95.08593	33.8
97.02891	9.6
97.06522	8.6
97.10164	5.2
99.04432	5.2
99.08070	2.3
101.02319	1.4
103.03856	1.9
103.05430	2.9
105.04507	3.5
105.07013	62.5
107.04958	14.1
107.08578	25.3
109.02855	7.0
109.06532	10.4
109.10135	5.4
111.04433	3.2
111.08060	2.1
115.05444	6.1
117.07004	25.3
119.04901	1.9
119.08561	34.9
121.06461	8.6
121.09353	1.2
121.10109	8.5
123.04425	2.3
123.08048	10.5
123.11725	1.4
127.03878	5.6
127.07540	2.0
128.06200	8.8
129.05492	2.8
129.06984	39.4
130.07738	1.5
131.04890	6.5
131.08549	22.5
133.06444	9.1
133.10110	16.2
135.04395	2.1
135.08015	4.3
135.11667	4.5
137.09616	1.8
141.06978	8.3
142.07802	1.7
143.08551	23.7
145.06433	10.1
145.10095	18.7
147.08023	5.8
147.11665	44.8
149.05870	2.3
149.09587	2.4
152.06192	2.1
155.08505	7.0
156.09315	3.0
157.06458	4.8
157.10094	5.8
159.08006	6.2
159.11639	3.9
161.09602	8.4
161.13240	22.3
163.11171	3.4
164.61905	1.3
166.07724	1.6
167.08524	5.4
169.10101	6.3
171.08070	6.8
171.11676	37.2
173.04420	10.8
173.09671	2.4
173.13266	1.9
175.07643	1.8
177.12706	1.8
179.08557	2.1
179.14235	2.8
181.10095	5.0
183.08084	3.2
183.11662	3.4
185.09605	5.9
185.13208	3.9
187.11139	5.1
189.12714	19.5
195.11780	3.3
197.13269	2.9
199.11151	1.9
199.14809	1.9
203.10622	1.7
203.14307	1.8
207.13766	44.9
209.13196	2.7
211.11113	1.5
221.15289	2.1
223.14716	6.9
225.12773	1.5
225.14845	4.8
227.14339	2.4
231.13713	1.7
233.13266	2.4
233.15346	2.5
239.14400	2.1
241.15898	8.8
245.15401	1.9
251.14256	7.6
257.15225	2.0
259.16953	4.5
263.16422	2.4
269.15302	16.0
273.14850	1.7
279.15897	2.2
281.17435	77.7
282.18106	1.7
287.16367	17.0
297.14694	2.8
305.17426	4.9
309.17004	3.3
315.15869	3.1
333.16858	4.8
335.18466	1.5
343.18936	2.8
351.17990	3.4
361.20001	3.8
379.21008	1.8
389.19366	1.8
407.20465	4.3
425.21579	10.2
459.30777	2.5
469.29468	3.4
487.30475	63.0
488.30844	1.9
501.31815	4.5
529.31458	3.2
537.31445	2.2
539.33319	4.2
549.31946	2.0
553.32111	1.5
567.33038	12.4
585.33722	2.6
613.33319	3.2
631.34723	12.8
649.36127	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	647.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01869	0.9
55.05495	6.7
57.02317	0.9
57.03421	2.5
57.07070	16.2
65.03934	1.3
65.29543	0.8
67.05490	12.4
69.06683	1.6
69.07059	30.8
70.04948	4.3
73.20151	0.9
79.05483	12.7
81.03380	1.2
81.07043	23.8
83.01328	3.8
83.08612	3.9
85.06552	4.3
91.05467	18.9
93.07030	37.2
95.04966	4.2
95.08589	24.2
97.06510	1.5
97.10148	2.4
97.57624	0.8
105.07015	30.3
107.04954	1.0
107.08578	38.7
109.06495	3.7
109.10139	18.9
111.04414	0.9
111.11687	1.3
117.06992	2.5
119.08566	24.1
121.06490	2.1
121.10133	23.1
121.10973	1.7
123.08079	2.2
123.11691	17.9
125.09562	1.3
131.08530	5.1
133.06477	0.9
133.10114	18.4
134.10321	0.7
135.08057	5.5
135.11678	40.3
137.06000	2.0
137.13243	2.0
139.03876	1.0
142.07709	1.3
143.08549	3.2
145.10094	8.9
147.08002	5.6
147.11661	35.6
149.05951	1.5
149.09599	2.4
149.13260	3.5
153.05463	8.7
153.12743	2.0
155.08569	1.8
157.10135	2.5
159.08015	1.2
159.11632	8.6
161.09641	1.0
161.13257	6.0
163.07547	3.6
163.11162	5.7
165.05457	46.0
165.58852	0.9
166.05748	1.0
167.07030	12.3
167.08363	1.8
167.10712	1.1
169.10144	1.1
171.08052	1.1
171.11635	2.3
173.09616	3.7
173.13235	2.5
175.11212	1.6
175.14813	2.8
176.08208	1.3
177.05463	3.5
177.09076	12.5
177.16270	4.2
179.07027	1.1
181.08476	0.9
181.10037	1.2
183.11737	2.0
185.13284	1.3
187.14803	2.1
189.16371	3.5
191.07007	1.9
191.10681	6.6
191.17950	1.7
199.11142	1.0
199.14806	2.4
201.09061	4.1
201.16359	6.3
202.16736	0.9
203.17928	38.7
204.07790	1.3
205.08591	3.2
207.17273	1.2
215.17877	1.4
217.08574	1.7
217.19582	1.1
219.10141	76.2
220.10506	2.5
221.11679	11.3
225.11130	1.2
227.17963	1.3
228.36833	0.9
231.10205	2.6
231.13795	1.4
231.17458	6.1
233.11755	2.5
235.09637	3.7
237.11183	100.0
238.11540	1.7
243.10074	1.2
251.12758	1.1
253.19560	1.2
257.11606	1.8
259.13275	1.6
261.11041	1.2
267.13602	1.0
271.13211	2.0
271.24084	1.6
273.14801	1.8
285.14789	2.0
287.13187	1.2
287.16376	19.5
293.17407	1.0
303.15878	3.1
305.17499	10.2
313.17874	1.1
317.17575	1.4
325.17999	1.1
337.28961	2.0
339.19629	1.8
341.21094	3.7
343.18958	3.3
343.22714	1.4
355.22659	21.8
355.29715	1.3
357.20502	6.8
359.22122	27.6
367.29916	12.3
371.22174	6.2
375.21552	3.4
377.23383	4.5
379.29999	1.7
405.27838	1.0
407.25946	1.4
409.27463	1.9
423.29193	1.1
425.26874	6.7
427.28394	38.9
428.28796	1.0
439.28354	11.8
443.27856	2.4
477.29782	2.9
489.33536	2.3
493.32861	1.1
495.34769	7.5
507.34692	1.6
543.38391	1.6
545.39801	2.3
547.56354	1.1
561.39282	13.7
579.39862	3.5
611.44250	3.1
629.45575	17.9
630.45746	1.0
647.46362	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	647.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01866	1.2
55.05508	5.7
57.03421	2.4
57.07069	16.1
65.03946	1.6
67.05499	7.0
69.07060	23.0
73.14165	0.7
79.05484	9.9
81.06599	1.3
81.07047	17.1
83.01331	2.6
83.04923	0.9
83.08589	1.9
85.06519	3.1
91.05466	13.9
93.07035	30.4
95.04957	2.3
95.07996	1.0
95.08597	17.9
97.10165	1.7
98.20718	1.5
105.07022	23.8
107.04960	1.0
107.08582	33.6
109.06496	2.3
109.10143	13.0
111.11724	0.8
117.06990	2.5
119.04949	0.7
119.08567	19.7
121.06453	1.4
121.10134	21.4
123.08054	1.5
123.11703	10.9
127.07508	0.8
131.08519	3.0
132.04784	0.8
133.06479	1.0
133.09160	1.1
133.10112	15.5
135.08038	4.1
135.11681	35.5
137.05978	2.6
137.13268	1.6
139.03853	1.4
143.08488	1.5
145.10109	6.7
147.08083	4.1
147.11664	25.0
149.09576	2.4
149.13239	2.4
151.07477	0.7
153.05453	6.8
153.12708	1.1
155.08449	1.5
157.10100	2.2
159.07988	0.7
159.11667	6.4
161.06029	0.7
161.09596	0.9
161.13225	4.7
162.06810	1.1
163.07512	4.0
163.11165	3.8
163.14850	1.7
165.05460	41.2
167.07040	7.7
167.10657	0.9
169.10136	1.2
173.09555	3.4
173.13170	1.0
175.07446	1.4
175.11156	0.9
175.14781	1.8
176.08289	1.7
177.05447	2.4
177.09070	10.4
177.16344	2.5
181.08401	0.9
185.13261	1.2
186.01717	0.8
187.14839	1.2
189.09167	0.8
189.16353	3.2
190.06111	1.2
191.07047	1.4
191.10640	6.2
191.17935	2.7
199.14838	1.1
201.09007	4.8
201.16316	4.5
203.10637	0.9
203.17935	29.7
204.07776	1.1
205.08548	0.9
207.10149	1.2
207.17380	1.6
209.13339	0.8
211.14658	1.0
213.16336	0.9
215.17947	0.9
217.08560	2.0
219.10146	70.5
220.10489	1.5
221.11678	12.2
225.11113	1.0
227.14255	1.7
227.35576	0.8
231.17409	6.7
235.09575	1.2
237.11188	100.0
237.85851	0.7
238.11473	2.0
239.17928	0.9
243.10402	1.0
245.11603	0.8
261.11194	0.9
271.13187	1.5
271.24115	2.8
285.14685	0.9
287.16391	24.1
287.23608	1.9
295.20544	0.8
299.16553	0.9
303.15717	1.6
305.17474	11.8
311.16498	0.8
313.18008	1.1
337.28812	1.5
339.19547	1.5
341.21030	2.6
343.18909	2.0
343.22672	1.7
349.28845	0.9
353.21024	1.1
354.03680	0.9
355.22644	26.7
356.22955	1.1
357.20505	4.8
359.22134	32.5
367.29929	12.3
371.22144	7.7
375.21844	1.5
377.23245	5.4
379.29834	1.9
407.25876	1.6
409.27127	2.0
421.27112	0.9
425.26794	7.8
427.28427	43.0
428.28735	2.3
439.28415	14.5
475.32037	0.8
477.29944	2.9
489.33734	1.2
495.34854	8.3
507.34720	0.9
543.37958	2.1
545.39685	2.5
561.39392	13.1
579.40271	1.0
611.44354	4.4
629.45502	23.1
630.45648	1.3
647.46814	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	647.465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01860	1.4
55.05497	3.5
57.03421	2.2
57.06803	1.3
57.07066	16.1
65.24102	0.7
67.05490	8.6
67.27928	0.8
69.07059	26.5
71.04135	0.9
71.06046	2.7
71.08621	0.8
75.47937	0.8
79.05489	8.1
81.07045	17.2
83.01337	3.1
83.04984	1.0
83.08602	2.7
85.06541	2.1
85.10163	1.1
87.34662	0.8
90.87137	0.7
91.05470	10.2
93.07028	21.7
95.04932	1.6
95.08588	24.9
97.10145	2.3
105.04572	1.0
105.07016	15.5
107.08584	24.5
109.06544	1.6
109.10137	11.1
111.11723	0.9
117.07014	2.7
119.08557	14.4
119.09317	1.4
121.10131	9.8
123.08053	1.0
123.11680	7.9
129.07001	1.1
131.08543	6.0
133.10107	11.3
135.08040	3.5
135.11673	30.9
137.05978	2.1
137.09604	1.5
137.13245	2.1
139.03815	1.4
143.08586	2.5
145.10112	7.7
147.11665	17.3
149.05998	1.1
149.09613	1.6
149.13297	3.4
151.11171	1.5
153.05444	10.5
155.08551	0.9
157.10150	1.8
159.08035	1.1
159.11662	5.8
161.09665	1.2
161.13266	3.8
162.06781	0.9
163.07509	4.1
163.11189	2.0
163.14784	1.0
165.05453	45.4
166.05823	0.9
167.07002	14.4
169.10289	0.9
171.11636	1.2
173.09656	3.1
173.13274	1.6
175.14828	1.8
176.08330	2.3
177.05513	2.2
177.09093	11.2
177.16353	2.1
177.20323	0.8
180.44553	0.8
181.08543	0.9
183.11717	1.0
185.13321	1.3
187.14775	1.0
189.09094	1.4
189.12743	1.1
189.16380	2.3
190.06355	1.3
191.07063	2.2
191.10648	8.4
191.17894	4.9
193.08569	0.9
199.14877	0.9
201.09073	4.8
201.16357	10.8
203.17929	22.6
204.07819	1.4
205.08582	2.1
207.10075	0.9
213.16339	0.9
217.08577	2.0
219.10135	81.1
220.10620	2.0
221.11636	11.1
225.11165	1.2
227.14264	1.4
235.09676	1.3
237.11171	100.0
238.11613	1.5
239.17966	1.2
245.11574	1.2
251.12718	1.4
271.13339	1.4
285.14902	2.9
287.16440	9.4
287.23712	1.2
293.17642	1.5
297.14847	1.1
299.16254	0.9
300.33966	0.9
303.15921	2.4
305.17477	8.6
313.27243	1.3
317.17874	1.2
325.28943	1.2
335.21933	6.6
335.27322	0.9
337.29004	3.2
339.19513	1.5
341.21112	2.3
343.19037	3.2
345.20538	1.0
353.21136	2.9
355.22626	38.3
357.20490	7.1
359.22150	10.8
367.29968	1.2
371.22116	4.4
375.21759	1.8
379.29953	1.6
385.23679	1.5
391.24588	3.1
395.98404	0.9
409.27448	2.3
416.46597	0.9
421.27661	1.4
425.26855	8.7
425.31760	1.0
427.28394	55.8
428.28763	2.7
439.28372	12.5
443.27881	1.2
477.29459	1.4
489.33401	4.0
495.34464	11.0
507.34799	1.0
517.31586	1.0
521.36346	1.3
545.40216	2.3
559.37213	1.1
560.38849	1.1
561.39307	15.5
610.56689	1.0
611.44281	3.2
629.45569	20.9
630.45532	1.3
647.48419	80.5
648.48517	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	646.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.01021	0.2
55.01867	0.6
55.05502	3.3
55.48085	0.2
57.03430	0.9
57.07070	13.0
62.06067	0.3
65.03934	0.2
67.05136	0.4
67.05497	8.1
69.03419	0.6
69.07063	3.8
70.55148	1.1
71.04982	0.7
71.08622	10.8
79.05482	4.2
81.03409	28.9
81.07047	9.0
81.07542	0.3
83.04968	0.9
83.08609	8.7
85.06512	0.2
85.10176	5.8
91.04916	0.4
91.05471	5.7
93.07030	2.8
95.04961	8.6
95.08595	9.6
97.02893	0.9
97.06533	0.4
97.09561	0.3
97.10152	2.5
99.08083	0.4
102.89066	0.2
105.07018	4.0
107.04959	1.8
107.08598	1.1
109.06495	1.1
109.10141	3.3
111.04438	0.6
111.08070	1.8
111.11754	0.3
115.05444	0.4
117.06981	0.6
119.04951	0.4
119.08561	3.3
121.06477	0.8
121.10130	2.1
123.08078	0.6
123.11700	1.7
125.13209	0.2
129.06992	2.7
131.08553	3.0
133.06496	1.1
133.10129	1.1
137.09654	0.5
137.13251	0.5
142.07722	1.0
145.10155	0.4
147.08008	1.0
147.11656	2.3
149.09579	1.5
151.14874	0.3
155.01083	0.4
157.10106	3.2
159.15929	0.2
165.12692	0.5
175.11168	2.6
184.07368	0.3
193.12224	5.9
193.13983	0.3
198.60037	0.2
205.12515	0.2
236.16412	3.7
239.23671	1.3
249.14883	2.1
267.15991	1.3
282.27872	1.1
313.27335	1.3
332.44031	0.2
370.37183	0.2
386.06171	0.2
390.17233	0.2
412.35522	0.2
436.28204	0.4
454.29092	0.4
505.38834	100.0
506.39117	3.5
621.48987	0.2
646.40509	0.2
671.12939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68460	0.2
53.03930	0.9
55.01857	0.8
55.05503	5.9
57.03165	0.4
57.03429	6.5
57.07055	0.9
59.04978	0.3
59.45229	0.2
61.02914	1.8
65.03911	0.8
67.05495	25.4
68.05798	0.3
69.03414	0.6
69.06693	0.4
69.07059	7.6
71.01338	1.3
71.04983	2.4
71.08617	0.4
71.80929	0.4
73.02886	0.6
79.05481	18.2
81.03406	3.1
81.07042	23.5
82.07387	0.3
83.04976	4.0
83.08602	5.3
85.02883	1.9
85.06525	1.4
86.09690	0.3
91.03931	0.8
91.05468	9.1
93.07029	25.6
94.07361	0.4
95.04954	2.7
95.08590	6.6
96.08896	0.2
97.02876	1.3
97.06515	5.9
97.10152	3.6
99.04433	0.5
99.08089	1.2
105.04504	0.3
105.07009	3.7
107.04930	0.8
107.08575	17.3
108.08913	0.5
109.06480	1.0
109.10135	2.9
111.08096	2.0
113.09649	0.3
115.05412	0.2
117.07011	3.2
119.08554	2.6
121.06494	1.4
121.10133	5.1
122.10443	0.2
123.08053	0.3
123.11683	1.3
125.09612	1.2
127.07534	0.3
130.07724	0.2
131.08560	1.8
133.10104	4.8
135.08035	0.7
135.11671	20.0
137.09567	0.5
139.07509	0.5
143.08592	0.3
144.28070	0.2
145.10101	3.1
147.11691	0.4
149.13231	5.1
151.11195	0.8
153.09050	0.3
153.12717	0.3
155.08517	0.3
159.11688	2.4
163.11157	2.4
177.12712	1.2
181.12215	3.4
184.07307	0.7
189.07655	0.2
195.13782	4.1
199.13344	0.6
213.14833	0.7
229.14258	0.3
251.16481	0.3
255.15877	26.4
256.16342	0.6
259.09558	0.3
269.17435	14.8
275.20108	0.4
301.16351	0.3
321.13409	0.3
431.27481	0.4
433.21298	0.2
449.28922	100.0
450.29282	2.8
480.30759	0.2
593.32800	0.8
596.92383	0.2
646.36646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03924	0.8
55.01853	1.0
55.05502	5.9
57.03157	0.5
57.03429	7.2
57.07071	1.2
59.04985	0.3
61.02907	1.6
65.03927	0.7
67.05494	28.8
69.03402	0.9
69.07058	9.1
70.86015	0.8
71.01338	1.7
71.04983	2.7
73.02900	0.8
77.03925	0.3
79.05481	20.8
81.03408	2.7
81.07043	26.7
82.07356	0.4
83.04964	4.8
83.08607	5.2
85.02892	2.1
85.06532	1.9
86.09695	0.3
91.03945	0.9
91.05464	8.8
93.07030	29.3
95.04961	3.2
95.08591	7.0
97.02863	0.7
97.06516	7.0
97.10157	4.5
99.04441	0.4
99.08070	1.5
105.07022	2.4
107.04932	0.8
107.08576	18.9
108.08955	0.3
109.06452	1.1
109.10137	3.0
111.08083	2.9
111.11682	0.6
113.09625	0.5
117.07004	3.6
119.08581	2.8
121.06477	1.0
121.10122	7.8
123.08079	0.3
123.11696	0.8
125.09644	0.9
130.07883	0.3
131.08557	2.4
133.10115	3.3
135.08018	0.9
135.11673	22.1
135.77594	0.3
136.12053	0.4
137.09604	0.8
139.07520	0.4
139.11160	0.7
143.08530	0.4
145.10103	3.3
147.11702	0.6
149.09581	0.4
149.13237	10.1
151.11160	0.7
153.12788	0.4
157.10156	0.4
159.11664	4.3
163.11140	2.6
167.14360	0.4
177.12755	2.0
181.12212	3.8
184.07333	0.6
195.13766	3.2
199.13368	0.8
213.14917	0.8
225.12976	0.2
255.15881	29.4
256.16196	0.6
269.17438	25.4
270.17838	0.5
281.50311	0.3
429.12036	0.3
431.27643	0.7
449.28918	100.0
450.29303	2.3
493.96591	0.3
528.52539	0.3
585.01819	0.3
593.33173	0.3
624.90820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99799	1.0
53.00312	1.2
53.03934	5.3
55.01857	5.2
55.05238	2.0
55.05502	29.6
57.03427	8.1
57.07061	9.4
59.05000	1.9
65.03924	2.5
67.05494	69.7
68.05818	1.6
68.10422	1.3
69.03408	3.5
69.07059	27.5
71.04981	6.3
71.08621	61.0
71.81340	1.8
75.04462	5.3
79.05482	62.8
79.37642	1.3
80.05845	2.1
81.03417	10.5
81.07045	82.1
83.04971	13.8
83.08609	19.2
85.02886	1.6
85.06526	5.5
85.10178	1.5
89.06022	2.2
91.05469	51.2
93.07031	83.3
95.04960	18.5
95.08591	55.9
97.06509	13.2
97.10160	9.8
98.98450	2.7
99.07439	2.4
99.08076	40.7
105.06341	2.6
105.07016	37.1
106.07304	1.4
106.38194	1.5
107.04969	10.0
107.08580	45.4
109.06505	7.5
109.10142	24.9
111.08078	6.0
111.11708	1.6
113.09606	6.8
115.05412	1.4
117.07024	11.6
119.08571	31.7
121.06508	5.2
121.10128	37.7
122.10578	1.2
123.08064	5.6
123.11678	6.8
125.09597	6.6
127.11151	1.4
129.07008	6.1
130.07719	1.3
131.08554	11.7
133.06422	1.7
133.10109	24.7
135.08025	4.7
135.11670	40.3
137.09544	6.0
137.13205	2.2
139.07510	1.3
139.11147	2.1
141.09113	3.5
141.12828	1.7
143.08563	6.6
145.10107	15.0
147.08008	3.6
147.11676	12.5
149.09622	3.9
149.13239	13.2
151.11165	30.9
153.05449	2.4
155.01094	1.9
157.10115	4.7
159.11646	10.2
161.09621	2.8
161.13228	19.8
163.11148	20.2
163.14799	3.5
165.05466	7.2
165.12738	4.5
167.10655	2.6
169.10182	1.6
171.11681	4.5
173.09604	2.3
173.13239	3.8
175.11180	3.3
175.14827	4.8
177.09082	2.2
177.12737	5.8
179.14287	100.0
180.14545	2.7
181.12206	2.3
184.07285	1.3
185.13242	5.7
187.11092	1.3
187.14734	1.9
189.11131	2.7
189.12738	3.8
193.12166	1.9
195.13820	2.2
199.14867	4.4
201.16283	2.9
203.17953	1.8
205.08578	8.5
216.52362	1.5
219.10129	4.2
221.08087	2.2
221.11713	4.6
221.15297	2.6
223.09592	7.5
223.17105	1.8
227.12697	5.1
231.17310	1.6
231.21158	1.7
235.16925	4.3
237.11159	2.5
237.14845	3.2
241.19516	5.7
245.11761	3.0
249.21857	1.3
259.20496	8.7
277.21597	93.5
278.21881	4.0
285.14728	1.3
291.19366	1.6
293.21103	5.3
295.22632	8.2
301.25204	1.6
303.15817	3.7
311.25986	1.4
351.25259	74.4
352.25632	3.1
357.20813	1.4
411.25101	1.6
449.32458	5.1
491.37347	2.3
527.37219	4.8
529.38470	4.7
545.38312	40.9
546.38959	2.7
609.44696	3.6
627.46082	70.3
628.46552	6.5
645.47131	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	645.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01863	1.3
55.05509	7.5
55.05722	1.5
57.03425	2.3
57.06840	1.3
57.07069	13.9
67.05492	7.6
69.07060	24.7
69.43620	1.1
71.25671	3.1
79.05490	13.2
81.07047	19.8
83.01321	2.8
83.04964	3.1
83.08583	3.2
85.06527	5.3
91.05473	17.6
93.07034	53.2
95.04948	5.8
95.08600	23.0
97.06528	1.4
97.10126	1.6
105.07016	21.7
107.08585	65.7
109.06496	5.7
109.10138	11.6
117.07006	4.1
119.05975	1.3
119.08566	13.9
121.06458	2.3
121.10120	20.8
123.08059	2.0
123.11691	10.4
129.06992	2.1
130.07787	2.0
131.08534	9.1
133.06361	1.3
133.10124	14.1
135.08026	5.8
135.11682	100.0
136.12132	1.4
137.05942	2.8
137.13206	3.8
139.03951	1.6
143.08543	3.3
145.10103	20.0
147.11662	8.6
149.06012	1.3
149.09592	2.3
149.13239	2.6
153.05455	9.3
156.09210	1.5
157.10101	3.5
159.11688	10.8
161.09570	1.8
161.13232	4.6
163.07504	2.9
163.11150	6.9
163.14764	2.4
165.05467	35.1
167.07034	3.7
171.11694	2.6
173.09613	2.6
173.13278	4.9
175.14786	6.4
176.08282	2.2
177.05420	3.1
177.09058	7.5
177.12784	1.7
177.14905	2.7
177.16370	31.6
185.09601	2.5
185.13275	1.9
187.14723	1.5
189.16357	5.1
189.87718	1.4
191.06978	3.2
191.10645	5.2
195.11720	1.7
199.14761	4.0
201.09044	3.5
201.16376	39.2
203.17975	8.8
207.10097	1.5
217.08603	1.7
217.15845	1.8
219.10144	54.2
219.17415	26.8
221.11717	20.1
229.08549	1.8
229.15784	1.5
233.11632	1.9
235.09430	1.6
237.11194	72.9
249.11153	1.6
265.10764	4.9
271.20734	1.5
273.14908	2.0
279.13550	1.5
287.16391	19.1
297.14828	1.4
303.15747	2.3
305.17447	11.5
317.17435	1.7
335.27151	2.4
337.17929	1.6
339.19461	3.5
341.17349	1.5
341.20853	6.2
351.19540	2.0
353.21027	11.4
357.20691	4.4
359.22125	27.3
371.22134	13.5
377.28192	1.9
383.22156	2.1
407.25684	1.9
409.27228	11.3
419.29691	1.7
425.26917	19.3
427.28366	4.6
437.26669	4.7
437.99606	1.3
439.28323	1.7
443.27948	8.8
455.27875	6.2
475.31894	6.5
493.32953	6.0
505.32816	1.6
511.34213	3.3
543.38458	2.0
557.36432	1.5
559.37775	7.3
561.39032	3.0
577.38623	7.6
624.73193	1.4
627.44330	9.9
645.45245	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57380	0.4
53.03928	0.6
55.01862	0.9
55.05501	3.7
57.03168	0.4
57.03431	4.2
59.73505	0.4
61.02625	0.4
61.02917	6.5
66.18723	0.3
67.05493	5.5
69.03410	2.1
69.07039	1.9
70.06529	0.6
71.04980	1.4
71.78305	0.4
71.78716	0.4
73.02898	1.6
79.05479	6.2
81.03407	23.1
81.07043	6.9
83.04972	5.6
83.08603	9.1
84.08102	0.5
85.02891	15.4
85.03407	0.8
85.06493	0.4
86.09666	0.5
91.03947	5.6
91.05463	8.1
92.69771	0.4
93.07021	5.1
95.04958	9.5
95.08614	2.9
97.02879	3.5
97.06507	1.4
97.10147	1.2
99.08054	0.5
103.25877	0.4
105.07019	6.6
107.04933	1.7
107.08594	2.3
109.06475	1.6
109.10148	0.9
111.04413	1.0
111.08067	3.9
113.06023	0.6
115.05438	0.4
119.04936	0.7
119.08566	5.0
121.06549	0.4
121.10132	3.0
123.08051	0.9
123.11671	0.6
125.09621	0.5
127.03911	1.8
129.06981	3.2
131.08559	3.9
133.06506	1.1
133.10112	4.0
133.89003	0.4
137.09602	0.6
142.07756	1.0
145.04941	2.1
145.10109	0.6
147.08005	1.0
147.11670	6.3
149.09590	2.5
154.08653	0.5
157.10110	5.8
157.34071	0.4
163.03896	0.7
163.05997	3.3
165.12703	2.0
175.09666	0.7
175.11143	7.3
179.06921	0.4
193.12215	22.6
194.12511	0.4
198.58385	0.4
211.11241	0.8
211.13266	16.5
267.15869	7.4
285.16922	100.0
286.17261	2.2
303.04974	0.8
411.20099	0.7
429.21304	2.3
447.22241	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	643.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
60.36762	0.2
67.05499	1.2
69.86638	0.8
69.87065	1.0
71.55623	0.2
79.05490	1.3
81.03376	0.6
81.07047	1.4
91.05445	1.0
93.07040	1.3
93.07526	0.3
95.04965	0.4
95.08572	0.8
98.20670	0.3
105.06980	0.8
107.08556	0.5
109.06439	0.3
109.10108	0.5
117.06965	0.4
119.08537	0.9
121.10116	0.5
133.10077	0.8
145.10109	0.3
253.14221	0.3
275.20126	0.3
333.24112	0.3
396.12158	1.0
397.12900	1.6
398.13705	0.9
399.14539	0.5
409.13248	0.4
410.13596	2.4
411.14496	5.4
412.15274	3.8
413.16135	2.6
423.09894	0.5
423.15350	1.2
424.11304	1.4
424.15387	2.1
425.16229	11.8
426.11057	0.5
426.16809	8.8
427.17560	1.5
428.18796	1.4
436.15216	0.4
437.16583	0.6
438.12061	2.7
438.17590	1.0
439.13528	15.2
440.13449	0.5
440.18991	5.2
441.19229	40.1
442.19626	1.8
444.18839	0.3
450.13248	0.4
451.13339	0.5
452.14230	3.2
453.15222	17.0
454.15802	4.5
455.21381	0.4
456.13947	0.4
457.15088	0.9
458.20099	0.3
459.20456	0.5
463.13995	0.8
465.15616	0.8
466.12064	0.5
466.17413	0.4
467.17093	26.3
468.17847	15.3
469.18787	14.1
470.18631	0.9
471.16959	0.8
472.17853	0.4
478.15970	0.6
479.16507	0.5
480.17123	1.0
481.14655	13.3
482.15186	3.1
483.16434	0.3
485.18167	1.2
486.19199	0.6
494.17767	0.4
495.16864	2.7
496.17120	11.2
497.17816	2.1
498.18600	0.9
499.21115	1.3
508.19788	0.7
509.18182	3.1
512.20251	1.3
513.20837	0.5
514.22461	2.8
522.17999	0.9
523.19659	1.7
524.20551	0.4
526.18561	0.3
527.23346	2.9
528.23615	0.6
537.19244	0.5
540.19989	0.8
542.21576	0.8
555.22345	30.5
556.22888	1.6
568.19562	0.7
583.21832	100.0
584.22064	6.2
586.20648	0.4
587.25006	1.8
611.21472	1.7
614.23639	0.8
615.24396	12.1
616.24579	0.4
625.44470	0.3
643.23877	76.1
644.24048	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	643.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03913	0.8
55.01848	1.0
58.76411	0.2
63.85439	0.2
65.03626	0.3
65.03925	2.5
67.05499	1.3
69.03405	0.8
69.64029	2.1
77.03881	0.3
78.04694	2.2
79.05482	1.9
81.03384	0.8
81.07022	0.7
82.04158	0.8
85.02886	2.1
89.03889	0.3
91.05461	3.5
93.03372	0.4
93.07013	0.9
95.04959	2.3
96.05749	0.3
97.02856	0.4
97.06493	1.0
98.21483	0.2
103.05449	3.0
104.00410	0.2
105.03355	0.4
105.06997	0.8
106.04164	1.6
107.04940	3.6
107.05607	0.4
108.02025	0.3
109.06470	0.4
110.03658	1.3
111.04402	1.0
115.05439	5.3
117.03358	0.4
117.06999	8.2
118.04141	0.3
118.07326	0.3
119.04916	0.9
119.08530	0.4
119.37231	0.2
121.06492	2.7
122.03633	0.6
123.04418	8.5
124.05200	2.7
125.05997	1.3
127.05410	0.9
128.06184	0.3
129.07010	0.6
130.04059	0.5
131.04897	2.5
132.05653	0.5
133.02849	0.4
133.06508	0.7
134.03609	0.9
135.04366	0.9
137.02324	0.3
137.05933	2.1
138.03094	0.8
140.04657	0.8
142.02567	1.0
143.04881	0.6
144.05658	0.6
145.06454	14.5
146.06773	0.4
147.04343	0.8
147.08009	0.8
147.11642	0.3
147.45688	0.2
148.05156	1.1
149.05957	2.9
151.03862	1.5
151.07523	0.7
152.04668	2.2
153.05467	1.2
155.04843	0.3
155.06000	3.5
155.07074	0.4
159.04366	0.9
160.05110	0.5
161.05939	1.0
163.03886	1.4
163.07536	0.8
165.05467	1.2
166.02554	0.3
167.07011	100.0
168.07315	1.5
171.04314	0.5
171.06512	2.7
172.05222	0.4
173.05957	22.0
174.06471	0.5
175.07468	1.2
176.04720	0.3
177.05450	3.7
179.06972	0.6
179.08496	0.3
181.04927	48.5
182.05266	0.9
187.07530	0.3
188.04646	0.6
189.05453	0.5
190.06219	0.4
191.07008	3.2
192.07733	0.5
193.04822	0.4
193.08656	0.3
194.05608	0.3
195.06526	1.4
195.08092	0.4
201.05443	0.8
203.06964	2.3
203.70123	0.2
205.08563	5.5
207.06375	0.3
207.08122	0.3
207.09920	0.3
209.08018	2.5
213.05467	0.4
217.08632	0.5
219.06499	0.8
219.09995	0.3
221.08063	0.5
222.06784	0.4
223.07510	0.3
225.07401	0.3
231.06407	1.1
233.08028	5.6
234.06642	0.4
235.07553	0.4
235.09607	6.1
237.09100	0.3
241.08632	0.5
249.11226	0.4
250.06279	0.6
251.07103	0.5
263.09219	0.5
265.08664	0.7
267.06467	0.4
267.10080	0.3
272.79388	0.2
278.05557	0.3
279.06598	0.3
282.08835	0.3
283.09628	0.3
285.17151	0.3
292.07144	0.4
293.08008	1.0
295.06070	0.3
295.09552	0.4
297.11322	0.8
299.09174	0.2
306.08731	0.2
307.09436	0.5
309.07581	0.3
310.08337	1.1
311.09052	0.3
313.10895	0.4
321.07373	0.3
323.05478	0.3
323.09030	0.4
325.10596	1.3
326.11438	0.6
327.08752	0.3
327.12299	0.4
329.13931	0.5
337.10678	0.3
342.11044	0.5
343.11847	0.2
353.10092	0.6
355.11786	0.4
357.13312	5.4
367.11655	0.4
369.13556	0.4
370.10266	0.3
371.14838	0.3
381.13434	0.3
385.12756	31.1
386.13107	1.5
387.14328	5.6
399.14517	0.8
415.13943	0.8
416.14975	0.3
417.15387	14.3
418.15637	0.7
557.52960	0.2
577.20337	0.3
613.22473	0.3
643.23749	53.8
644.24017	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	643.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
65.03919	0.7
67.05474	0.6
68.99757	2.2
69.03405	0.5
71.80589	1.0
77.03916	0.5
85.02874	0.6
89.30845	0.6
91.05448	2.0
95.04932	1.0
97.02873	1.2
103.05397	1.0
104.62545	0.6
105.03288	0.6
105.07087	0.8
107.04942	1.3
111.00761	0.7
111.04413	1.8
115.05437	0.8
119.04933	6.1
123.04411	45.4
124.07562	2.9
125.02341	1.1
125.07957	0.8
127.03855	0.7
131.04895	1.4
133.06488	1.9
135.04404	5.0
137.02301	1.5
137.05972	0.8
139.03885	5.6
141.01776	1.7
142.26265	0.6
143.04893	1.4
145.02791	0.6
145.06418	0.9
147.04382	36.7
148.04674	1.1
149.02254	0.6
149.05931	2.0
151.03897	1.3
153.01793	2.0
153.05417	0.9
155.04849	0.7
157.06488	0.8
159.04338	2.0
161.05957	10.2
162.02946	0.6
163.03893	9.0
164.04138	0.5
165.05473	5.9
167.04893	0.9
167.77011	0.6
169.00829	0.6
169.06422	1.2
171.04358	1.9
173.05957	1.9
175.03880	3.4
177.05431	8.9
179.04892	0.7
179.06998	0.8
179.32877	0.6
181.06589	0.8
183.04396	3.7
185.06000	1.2
187.03822	1.9
189.05441	48.0
190.05727	1.0
191.03374	0.7
193.04924	2.3
195.04269	0.8
197.05949	2.1
199.03860	5.2
201.05434	4.4
203.03363	76.0
204.03775	2.1
205.05028	2.6
207.04381	1.8
207.06480	1.8
211.03882	5.1
213.05446	4.8
215.03365	0.8
217.04941	13.1
221.04457	1.6
225.05399	3.2
227.03423	3.0
229.04933	8.6
230.05740	0.9
231.06415	1.0
233.04396	9.2
235.03920	1.6
237.05388	1.7
239.03342	2.1
241.04918	2.2
243.06494	1.0
245.04410	22.9
247.05972	1.5
253.04926	17.7
255.02856	2.6
255.06548	3.6
257.04422	57.0
258.05026	2.8
259.05957	3.8
265.05063	1.1
269.04361	2.2
271.05981	6.4
273.03909	2.5
275.05414	3.6
281.04410	19.2
283.05994	2.9
287.05450	5.6
289.07019	1.7
295.05945	1.0
299.05447	25.5
311.05475	3.8
317.06433	1.1
323.05606	0.9
343.25867	0.7
345.07498	0.7
363.08731	0.9
387.08508	1.7
389.09937	0.7
391.08054	7.8
405.09622	3.9
409.09131	100.0
410.09332	2.4
415.08203	2.7
433.09146	12.9
451.10172	10.6
473.10687	1.0
491.11758	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	642.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
54.54713	0.4
55.01850	1.3
55.05503	9.4
55.32084	0.3
57.03423	3.9
57.07067	23.7
65.03911	0.9
67.05496	24.3
69.03433	0.5
69.07059	8.2
70.97281	1.4
71.04971	1.9
71.08620	20.0
75.15778	0.4
77.99107	0.4
79.05484	15.0
81.03411	1.7
81.07046	30.0
82.64958	0.4
83.04970	4.6
83.08607	10.0
85.06531	1.2
85.10172	8.2
89.06016	0.5
91.05466	10.5
93.07033	16.2
95.04964	5.5
95.08594	22.0
97.06518	4.3
97.10146	3.8
99.08064	2.7
99.11736	0.5
101.77075	0.4
105.07025	5.1
107.04976	0.5
107.08582	8.6
109.06489	1.4
109.10132	7.5
111.08076	1.5
111.11710	0.7
117.07001	4.1
119.08570	2.9
121.06506	0.6
121.10123	4.3
123.08080	0.8
123.11691	2.7
125.09641	0.6
129.06993	1.1
131.08549	4.5
133.10101	5.3
135.08051	0.8
135.11687	2.8
137.09579	0.5
137.13278	1.0
139.11188	0.9
143.08582	0.6
145.10110	0.8
147.11662	1.4
149.09549	0.5
149.13237	6.3
151.11153	4.3
159.11739	2.5
161.13255	1.4
163.11168	2.4
171.11693	0.7
173.13255	0.4
175.14803	0.5
177.12746	1.7
179.14328	0.8
195.13795	3.8
213.14821	0.6
227.12807	1.1
233.15393	1.3
239.23640	2.7
241.19482	1.4
251.16402	2.1
259.20596	2.4
269.17444	9.0
269.20337	0.5
277.21628	6.2
285.62582	0.5
290.31912	0.5
295.22754	0.5
313.27319	25.1
314.27603	0.6
341.26846	0.6
351.25238	9.5
409.58832	0.5
411.34995	0.5
467.37225	0.9
507.40417	100.0
508.40701	4.2
589.48291	5.7
592.60156	0.5
603.25281	0.5
607.49194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.9
55.01870	7.0
55.05247	1.7
55.05506	32.2
57.03172	1.5
57.03432	25.0
57.07051	4.5
59.04982	2.6
65.03930	4.1
67.05495	77.3
69.03417	25.0
69.07059	25.7
71.01349	2.5
71.04990	13.6
71.80190	2.4
73.02911	3.3
79.05483	58.9
81.03407	100.0
81.07047	89.9
82.03732	1.4
82.07378	2.0
83.04968	45.7
83.08610	33.9
85.02896	28.7
85.06518	5.8
91.05465	60.5
93.07034	63.8
95.04958	33.1
95.08598	32.1
97.02874	18.2
97.06532	13.8
97.10160	9.4
99.04432	5.8
99.08055	3.9
103.03910	1.9
103.05412	1.8
105.06343	2.5
105.07018	38.7
107.04943	14.2
107.08579	33.1
109.02880	13.1
109.06509	10.4
109.10123	10.3
111.04427	14.4
111.08047	15.0
113.05963	3.6
113.09563	1.7
115.05470	1.9
117.06983	15.6
119.04927	2.6
119.08557	29.8
121.06512	7.9
121.10128	25.7
123.04411	3.9
123.08056	4.1
123.11669	6.3
125.05924	1.5
125.09605	6.2
127.03855	12.2
128.06105	1.8
129.05473	12.8
129.06987	15.0
131.04881	2.6
131.08551	29.1
132.08875	2.3
133.06461	6.7
133.10107	26.1
135.07997	4.6
135.11668	10.0
137.09619	2.1
141.06963	1.5
142.07726	4.0
143.08521	6.0
145.06480	2.6
145.10117	8.8
146.10416	1.8
147.08014	5.8
147.11653	21.8
149.09589	9.1
149.13240	21.6
151.11124	2.2
153.09068	1.8
155.08560	3.4
157.10118	17.7
159.11688	12.7
161.13226	1.5
163.11176	3.5
165.12758	7.4
169.10146	2.6
171.11670	2.5
173.04471	2.6
173.09650	3.5
175.11172	16.2
177.12758	8.3
181.12167	1.8
185.13184	1.7
189.11128	2.7
189.12747	2.1
191.10632	3.0
193.12213	43.7
194.12550	1.8
195.13797	11.7
197.13248	2.5
211.11276	2.2
211.13260	58.5
213.14799	3.6
215.14337	2.0
217.15749	2.0
227.12727	5.9
229.14307	4.4
239.14374	2.5
243.13980	1.8
249.14777	4.2
256.34152	1.7
257.15317	1.7
267.15863	32.6
269.04401	3.2
269.17441	40.2
270.17886	2.3
271.05905	2.2
273.14896	2.1
275.20038	4.7
285.16925	38.3
291.19537	1.8
293.17548	1.6
297.03903	16.3
301.14178	1.7
302.98227	1.6
303.15741	2.9
321.17087	1.8
337.16431	1.9
339.18066	5.3
349.23572	2.4
349.81287	1.6
355.17444	4.8
369.24136	4.9
387.25156	3.1
393.19073	1.6
395.20529	4.1
405.26227	1.6
411.20175	3.6
413.21680	10.6
429.21152	8.0
433.29373	1.9
433.44199	1.7
435.27017	2.9
443.28018	7.3
461.28937	55.0
479.30017	80.7
489.10400	3.8
531.28967	1.7
587.31708	3.9
605.32965	6.1
623.24146	2.9
623.34119	55.2
623.42889	3.0
624.34131	3.5
641.34521	6.2
641.44110	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01853	0.6
55.05489	1.2
57.03426	0.6
57.07043	0.3
67.05496	3.0
69.03418	0.3
69.07055	0.9
71.04998	0.4
71.80882	0.4
79.05474	2.7
81.03396	1.2
81.07041	3.0
83.04971	0.4
83.08607	0.7
85.06516	0.3
89.32596	0.3
91.05469	2.5
93.07022	2.0
95.04951	0.9
95.08587	1.7
97.06516	1.1
97.10148	0.5
105.07012	2.7
107.04927	0.5
107.08577	1.8
109.06475	0.7
109.10147	0.8
111.08076	0.3
114.14078	0.3
117.07022	1.0
119.08546	1.7
121.06474	0.3
121.10128	1.2
123.07975	0.4
123.11671	0.5
125.09634	0.3
129.06999	0.8
131.08568	1.0
133.10100	1.6
135.08124	0.4
135.11673	0.7
141.07024	0.3
143.08600	0.6
145.10103	0.9
147.11697	1.0
149.09656	0.4
149.13290	0.4
155.08551	0.3
157.10104	0.7
159.11705	0.6
161.13298	0.3
163.11142	0.5
169.10237	0.6
169.11995	0.3
171.11723	0.5
173.09561	0.4
179.14220	0.3
185.13231	0.4
239.17841	0.4
269.04468	0.4
273.02118	0.3
273.18607	0.3
275.20047	2.2
282.29633	0.3
291.19574	0.4
297.03937	2.4
349.23828	0.5
369.66959	0.3
377.17645	0.6
379.18930	0.5
391.19131	0.8
392.20224	0.6
393.20776	1.2
394.21509	0.3
405.16599	1.8
406.17865	1.1
406.22314	0.5
407.22504	4.3
408.23007	0.9
418.17734	0.5
419.18262	2.6
419.23505	0.6
420.19083	1.5
421.20026	4.0
422.20648	0.6
423.22272	0.3
432.19910	0.4
433.20529	4.8
434.21213	3.7
435.21844	6.9
436.22516	1.0
447.22928	1.6
448.18457	0.6
448.23196	0.5
449.19452	7.2
450.20154	0.5
451.20883	0.7
461.20221	0.4
461.23459	0.6
462.20224	3.2
463.21054	3.7
464.21899	1.7
467.24158	0.5
475.21033	1.0
476.21777	0.7
477.23065	1.0
478.23755	0.5
479.20654	1.2
480.21262	0.4
481.22256	0.4
489.10284	0.4
489.23032	0.5
493.22382	1.3
494.23166	2.4
495.23752	2.9
507.24185	6.6
508.24390	1.3
509.26120	0.6
519.23871	0.4
520.24634	0.4
521.25897	4.5
522.26141	0.4
525.35681	0.5
535.23334	7.6
536.24335	0.6
539.26123	0.3
543.36780	1.6
549.24927	2.3
550.25970	0.7
553.25183	0.9
563.26263	0.5
567.25879	2.1
568.26080	0.4
580.26776	0.4
581.27576	19.3
582.27826	2.2
595.25464	7.9
596.25848	0.6
609.27252	1.4
613.29724	0.5
623.42755	1.5
641.29602	100.0
642.29926	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	641.296
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05479	0.3
67.05490	0.5
71.05780	0.5
79.05481	0.4
81.07054	0.4
88.48058	0.2
91.05479	0.3
92.46423	0.2
92.70208	0.2
93.06998	0.3
96.17928	0.2
105.07009	0.4
107.08570	0.2
119.08598	0.2
128.96315	0.2
133.10179	0.2
184.09895	0.2
211.12440	0.2
251.08339	0.2
275.20212	0.4
297.03796	0.3
302.13095	0.3
328.14566	0.3
365.18005	0.2
377.17651	0.7
378.18524	0.2
379.19144	1.1
390.18329	0.5
391.19394	1.2
392.19858	0.8
393.16446	0.4
393.20804	1.6
394.21536	0.4
395.22363	0.5
405.16376	1.9
405.21045	0.6
406.17255	1.4
406.22244	0.4
407.18335	0.8
407.22714	4.3
408.22879	1.4
418.17624	0.3
419.18192	3.0
419.23438	0.4
420.19012	2.1
421.20203	4.8
422.21033	0.6
423.21838	1.2
432.19360	0.2
433.20126	4.4
434.21179	4.1
435.21835	8.2
436.22562	1.7
446.20700	0.3
447.22632	1.4
448.18295	0.4
448.23007	0.6
449.19519	8.9
450.20044	0.9
451.21216	0.4
461.18924	0.4
461.23959	0.5
462.20593	0.6
463.21051	3.2
463.30975	0.3
464.22040	2.2
465.18320	0.4
465.23590	0.4
467.25104	0.4
468.25211	0.3
475.21625	0.3
476.22198	0.3
477.22934	0.8
479.19745	1.0
480.21451	0.8
481.22137	2.5
489.23135	0.4
493.21512	2.3
494.22980	3.4
495.23727	3.4
496.24219	0.4
506.23740	0.2
507.23886	2.1
508.24615	0.3
509.24915	0.6
521.25641	10.3
522.26038	1.3
523.27551	0.9
524.28546	0.2
526.25513	0.5
535.23560	0.7
539.22150	1.1
549.24628	1.0
550.25653	0.5
551.26642	0.3
552.23816	0.3
553.24176	1.1
563.27106	1.1
566.24951	0.3
567.26056	0.4
580.26758	0.3
581.27533	22.6
582.27838	2.9
595.25977	0.4
609.27417	0.9
610.27576	0.3
612.24902	0.3
613.29871	0.3
623.28870	0.4
641.29590	100.0
642.29852	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	641.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26741	0.5
53.03920	0.6
55.01843	1.5
55.05496	0.5
57.03417	0.8
65.03934	4.9
67.05498	3.2
69.03417	3.5
69.07037	0.8
70.06555	0.6
70.35617	0.5
71.04948	1.0
71.79952	0.8
78.04679	1.7
79.05492	4.5
81.03413	3.0
81.07053	2.7
82.04174	2.0
83.04955	1.2
84.04509	0.5
85.02892	4.9
86.09686	0.8
91.05461	8.5
91.18435	0.5
92.06266	0.8
93.03401	1.4
93.07003	1.9
95.04938	4.2
95.08613	1.3
97.02873	1.0
97.06490	1.7
103.05460	3.6
105.03367	0.7
105.06989	2.2
106.04147	0.9
107.04945	9.3
107.08559	0.8
108.02094	0.8
109.06485	2.6
109.10132	0.8
110.03657	2.7
111.04398	2.1
115.05429	7.9
117.06999	12.2
119.04927	2.3
119.08556	1.5
120.05698	1.1
121.06501	1.3
121.10084	1.4
123.00776	0.6
123.04437	5.2
123.08020	0.8
123.11673	0.8
124.05177	1.6
125.05970	3.0
127.03890	1.1
127.05403	1.0
128.06187	1.0
129.06960	1.2
131.04913	3.5
131.08522	0.9
132.05615	0.6
133.02823	1.2
133.06474	2.4
133.10101	1.0
134.03589	0.6
135.04350	1.8
135.11679	1.2
137.02354	0.5
137.05956	5.8
138.03091	1.6
139.03957	0.8
140.04666	0.7
142.02586	1.9
143.04878	2.1
144.05714	0.8
145.06470	21.9
145.10146	0.8
147.04367	3.2
147.08003	1.4
147.11664	0.6
148.05199	4.2
149.05910	1.2
149.09630	1.1
151.03894	1.0
151.07506	3.5
152.04617	1.5
153.05452	1.7
154.06264	1.0
155.04866	1.0
155.06009	3.9
155.07068	0.8
157.06476	0.9
159.04414	2.0
159.08012	0.8
160.05196	1.3
161.06003	2.9
162.06677	0.6
163.03908	1.6
163.07555	1.2
165.05469	11.2
167.07019	58.1
168.07219	0.6
171.04359	1.1
171.06531	6.2
173.05963	26.9
173.09549	1.0
174.06656	1.3
175.03848	1.0
175.07504	4.4
175.11215	0.5
176.04755	0.8
177.05446	2.0
177.09082	1.1
179.06947	0.9
181.04933	100.0
182.05267	1.1
184.07364	1.0
185.06058	0.9
187.07613	0.6
188.04692	1.1
189.05486	1.2
189.09056	1.0
190.06241	1.8
191.07021	7.6
193.04991	0.8
193.08562	0.7
193.12242	0.7
195.06509	1.5
197.07994	0.7
200.04636	0.6
201.05431	12.0
202.06158	1.4
203.07004	9.5
205.04958	1.6
205.08569	8.4
206.09378	0.6
207.06567	1.7
208.07265	1.5
211.07581	0.6
213.05489	1.5
214.06262	0.8
217.08551	4.7
219.06464	11.3
220.07292	5.1
221.06068	0.7
221.08041	1.8
225.07512	4.7
226.08641	0.6
231.06477	2.8
233.05748	1.0
233.08057	17.1
234.08824	12.0
235.09637	6.6
241.05048	0.7
249.08971	0.6
252.07928	0.6
265.08435	0.9
267.06375	0.7
267.09976	0.6
269.04401	2.3
271.05966	1.5
276.07846	0.5
277.08652	0.6
279.10120	0.6
291.06689	0.7
291.10077	1.3
293.08160	1.0
297.03885	10.9
297.11166	1.1
298.04263	1.0
301.14032	0.5
303.05020	0.8
305.13699	0.9
307.09708	1.2
309.07809	0.7
310.08337	0.8
311.12421	0.5
315.08716	0.7
323.08923	0.9
325.10812	1.7
327.12097	0.5
329.10193	1.2
355.11713	2.5
357.13251	5.1
359.11224	4.0
365.10336	0.8
367.12079	0.6
368.12112	0.6
373.19992	0.6
383.11185	0.8
385.12790	30.1
386.13419	3.0
387.14249	2.8
394.69986	0.6
397.12811	2.2
398.13577	1.4
401.12024	0.7
415.13812	9.1
415.18820	0.8
416.14600	17.5
417.15427	8.8
425.22839	0.8
429.15628	0.9
430.12576	0.7
443.18527	0.5
443.24448	2.0
449.08554	1.0
461.24554	2.3
479.26572	1.1
489.10333	2.0
526.37830	0.5
611.21460	3.9
641.22308	62.6
642.22601	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	641.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	0.2
67.05460	0.3
68.99754	0.5
69.03380	0.5
70.06554	0.3
71.79124	0.3
72.08112	0.2
73.02863	0.3
83.04925	0.6
84.08064	0.2
85.02895	1.6
91.05387	0.3
95.04942	0.2
97.02877	1.5
107.04889	0.3
111.00729	0.2
111.04395	0.4
119.04881	0.7
121.02789	0.3
123.03648	0.2
123.04417	2.9
125.10666	0.2
127.03843	0.3
131.04900	0.2
135.04352	0.9
137.02345	1.0
139.03873	1.0
139.05362	0.3
141.01759	0.6
143.04869	0.4
145.04865	0.3
145.06424	0.2
145.86479	0.2
147.03484	0.2
147.04381	2.0
153.01755	0.8
157.04927	0.3
157.06299	0.3
159.04475	0.2
161.05919	0.4
163.03879	1.3
165.05385	0.2
167.04829	0.4
171.04300	0.4
173.05861	0.2
175.03835	0.6
177.05415	0.3
185.05931	0.5
187.03851	0.4
189.05443	0.6
195.04315	0.5
197.05931	0.3
199.03864	1.1
200.04550	0.2
201.05325	0.7
203.03334	3.2
205.04929	0.3
211.03906	0.9
213.05450	5.6
215.03252	0.3
215.06888	0.2
217.04898	0.7
217.06873	0.3
223.03856	0.7
225.05469	0.3
227.03358	1.2
229.04971	1.0
231.02904	0.5
239.03358	0.5
241.04910	4.8
243.02719	0.3
243.06467	1.3
244.09598	0.2
245.04372	0.7
247.05923	0.6
249.03932	0.7
251.03571	0.2
255.06384	0.3
257.04349	1.5
259.05939	2.9
263.05435	0.4
269.04407	17.8
270.05008	0.5
271.05957	8.5
272.06583	0.5
273.03867	0.3
281.04578	0.5
283.05933	0.6
285.01135	0.2
285.03882	1.3
287.05350	1.0
293.04349	0.2
295.35059	0.2
297.03882	100.0
298.04227	1.7
299.05426	0.6
299.13840	0.2
301.06946	0.8
303.04956	14.1
304.05280	0.3
309.04013	2.4
309.07385	0.4
311.05527	0.7
327.04916	2.4
339.05078	0.4
341.06671	0.5
385.06900	0.4
387.08664	0.4
389.06482	0.4
403.07898	0.5
405.09686	0.5
407.07654	0.6
413.06674	0.3
423.10663	1.3
431.07605	3.8
449.08649	6.3
465.10309	1.9
467.09842	0.6
471.09308	0.3
489.10223	23.5
490.10440	0.5
614.92712	0.2
623.13446	0.4
641.14886	20.1
642.15491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88150	0.1
65.03909	0.2
67.05460	0.2
68.99747	0.3
69.03378	0.3
69.88470	1.0
83.04906	0.5
85.02854	0.3
91.05432	0.3
95.04912	0.2
97.02824	0.4
110.55381	0.1
111.04391	0.3
119.04947	0.8
123.04401	3.6
124.82016	0.1
137.02274	0.2
139.05402	0.2
141.06955	0.3
145.06409	0.2
147.04370	1.8
153.01778	0.3
157.06369	0.2
165.05394	0.2
167.04832	0.2
171.04324	0.2
185.05956	0.4
195.04358	0.6
199.03957	0.3
213.05424	5.3
214.05772	0.2
217.05000	1.0
223.03896	1.1
227.03308	0.6
227.06909	0.3
229.04974	0.4
241.04918	5.3
243.02878	0.3
243.06506	1.4
251.03329	0.3
253.04787	0.2
255.06439	0.3
257.04279	0.2
259.05966	3.7
269.04401	18.3
270.04935	0.7
271.05960	8.3
272.06564	0.5
281.04425	0.5
283.06000	0.6
285.03922	0.9
285.06677	0.2
288.30902	0.2
293.04269	0.3
297.03876	100.0
298.04282	2.5
299.05389	0.3
301.06909	1.0
303.04959	1.4
309.03867	2.3
311.05313	1.1
327.04907	3.3
339.05106	0.4
341.06317	0.2
375.09097	0.1
405.09537	0.2
413.06497	0.2
423.10623	1.7
431.07578	2.5
449.08615	7.8
467.09918	1.2
471.09134	0.2
489.10217	21.7
490.10181	0.3
591.38629	0.2
623.14056	0.2
641.14899	21.4
642.15149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01853	2.6
55.05234	1.1
55.05503	21.5
57.03437	4.8
57.07070	13.7
59.04984	0.8
65.03938	1.2
65.17898	0.7
66.35488	0.7
67.05497	19.9
67.78400	0.6
68.25430	0.7
69.03407	3.0
69.07052	9.7
70.08215	1.2
70.08628	3.8
71.04961	0.8
71.08247	0.8
71.08620	9.4
74.09714	1.9
79.05022	1.0
79.05486	17.6
80.05805	0.9
81.07053	16.7
82.07403	0.8
83.04951	2.9
83.08163	1.0
83.08614	13.8
85.06528	1.2
85.10162	4.5
85.75789	0.8
91.05470	7.9
93.07029	12.2
94.07344	0.9
95.04936	1.9
95.08598	11.0
96.08887	0.7
97.06514	1.7
97.10160	29.2
98.10494	0.7
99.08038	0.8
105.07020	7.6
107.04957	1.4
107.08580	26.4
108.08941	0.8
109.06508	2.7
109.10137	8.3
111.08042	1.8
117.06959	3.7
119.08586	4.9
121.10107	3.8
123.11690	2.8
125.08689	1.4
125.09618	25.7
131.08536	3.2
133.10143	6.0
134.10324	0.7
135.08023	3.2
135.11674	3.1
138.20662	0.7
143.08554	1.6
145.10106	6.1
147.11674	3.6
149.09581	2.4
149.13229	1.0
153.09079	1.5
157.10057	1.1
159.11667	1.7
161.09592	0.8
161.13272	1.6
163.11143	1.5
171.10143	2.4
171.11522	0.9
173.13228	1.2
177.12646	0.8
177.16330	0.9
189.11185	15.4
189.12842	1.1
203.17921	1.4
218.59653	0.8
227.12755	100.0
228.13040	3.4
229.19441	0.9
239.17928	1.3
239.23691	1.3
244.02638	0.9
257.18991	5.0
269.17184	1.4
275.20023	21.9
276.20325	1.5
311.25711	2.9
312.26279	1.4
313.27325	35.2
314.27768	1.2
331.22662	4.1
337.68637	0.8
349.23715	21.8
350.23962	1.2
394.77032	0.8
477.99692	0.8
483.36871	9.3
484.37091	1.2
493.38553	1.1
505.38705	7.6
506.39294	1.4
507.39624	2.3
587.46576	23.8
588.46735	2.5
605.46826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
53.03941	1.9
54.25573	0.9
55.01860	3.7
55.05502	18.9
57.03429	10.4
57.07069	41.4
57.07356	2.0
65.03941	2.4
67.05495	47.9
69.03421	1.8
69.07062	21.3
69.54286	1.5
69.54688	7.4
71.04974	2.6
71.08619	29.8
73.60371	0.8
79.05482	30.5
81.03400	3.9
81.07046	59.4
83.04967	8.0
83.08602	17.0
85.06526	3.3
85.10171	14.8
89.06018	1.6
91.05470	27.9
93.07034	36.6
95.04947	8.1
95.08591	36.5
95.09210	1.5
95.84605	0.8
97.06521	9.2
97.10154	6.1
99.08062	1.5
103.07557	1.7
105.07007	20.5
107.04946	2.9
107.08583	19.7
109.06516	5.1
109.10139	15.9
111.08064	4.0
115.05449	1.5
116.06246	0.9
117.07007	10.0
119.08564	15.7
121.06490	2.4
121.10118	9.8
123.08046	2.9
123.11681	7.3
125.09618	1.4
128.06168	1.1
129.06981	2.3
131.08563	12.8
133.10112	13.7
135.08026	2.0
135.11679	10.0
137.09627	2.8
137.13261	1.8
139.54028	0.9
143.08571	2.3
145.10118	8.8
147.11688	8.3
149.09607	5.9
149.13220	7.3
151.11115	1.8
157.10162	2.6
159.11690	7.8
161.09534	0.8
161.13263	1.7
163.11169	4.8
169.10103	1.5
171.11699	1.8
173.13303	2.6
175.11143	1.1
175.73830	1.0
177.12694	2.7
181.12187	1.5
183.11725	1.3
185.13231	0.9
195.13722	5.2
197.13234	1.0
217.15848	1.4
229.19502	1.4
233.15457	1.0
239.17987	1.6
239.23708	2.9
247.20509	2.1
251.16525	1.9
255.15903	13.1
257.18979	6.8
257.24573	1.8
267.15836	1.5
269.17477	16.5
275.20029	23.8
275.23056	1.4
276.20377	0.9
291.19907	1.1
293.21082	1.7
309.20572	1.3
313.27307	68.4
314.27798	1.2
331.22693	2.5
341.26743	1.7
349.23712	17.2
367.24884	3.4
404.96155	0.9
443.16354	0.8
467.36996	0.9
493.38788	17.3
505.38806	1.4
507.40405	100.0
508.40475	4.1
528.10107	1.1
547.43195	2.2
551.23181	1.0
587.46686	12.3
590.61353	0.9
605.47754	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	639.4318
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
51.15603	0.2
55.05502	1.9
56.05013	0.3
57.07057	0.9
58.06311	0.4
58.06590	6.0
63.21904	0.2
67.05484	0.4
69.07051	0.6
70.06571	0.6
72.08141	11.3
73.06547	1.7
76.18470	0.2
79.05466	0.5
81.07049	0.5
83.04976	1.6
84.08133	0.7
85.06541	0.2
85.08894	0.3
86.09692	20.0
91.05468	0.4
93.07046	0.3
93.97747	0.2
95.04958	0.2
95.08605	0.3
96.08135	0.2
98.06043	0.5
98.09705	0.3
100.11239	100.0
101.05991	1.9
101.11571	0.7
105.07015	0.2
107.08524	0.2
109.10139	0.2
111.11707	0.2
119.08607	0.2
128.10701	0.5
140.14317	3.5
146.11737	2.5
148.04610	0.2
154.12251	1.5
154.15897	0.6
172.13289	2.7
182.11792	0.4
182.74025	0.2
185.16545	0.2
199.36760	0.2
200.12852	0.5
200.16409	1.4
210.14851	0.4
211.14455	0.6
214.14311	1.0
228.15912	7.0
245.18654	0.2
249.19713	0.4
275.20105	0.2
285.21680	5.6
285.24615	0.3
299.23245	7.8
313.21356	0.6
327.22736	12.6
367.25891	0.5
382.36981	0.2
394.90799	0.2
395.25250	0.9
412.31821	0.6
440.31149	3.0
458.32224	6.2
484.33798	0.9
512.33289	0.7
526.34869	1.3
540.36359	0.4
578.28345	0.2
611.43677	33.1
612.44153	1.1
639.43170	14.4
640.44086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01866	5.8
55.05505	18.3
57.03436	11.3
65.03933	1.7
66.28188	0.9
67.05494	24.0
69.03417	13.0
69.07066	6.9
69.85276	3.6
69.85704	4.2
71.01327	1.5
71.04974	6.9
78.61550	0.9
79.05482	23.8
81.03408	100.0
81.07045	26.3
82.03715	1.1
83.04970	20.1
83.08607	23.8
85.02893	19.1
85.06551	1.7
87.04470	1.1
91.05466	33.3
93.07030	19.1
95.04956	28.2
95.08598	8.5
96.36720	1.2
97.02879	10.2
97.06522	4.5
97.10165	7.8
99.04444	4.3
105.07014	21.2
107.04942	10.6
107.08582	11.3
109.02877	15.7
109.06516	4.4
109.10139	6.6
111.04434	11.9
111.08059	9.8
113.06013	2.4
115.05446	2.2
117.07019	2.8
119.04933	1.6
119.08566	17.8
120.08919	1.2
121.06488	4.7
121.10136	11.1
123.04437	3.1
123.08058	2.5
123.11696	2.0
125.06001	1.7
125.09638	3.9
127.03891	6.5
129.05518	2.4
129.06978	11.9
131.04926	1.3
131.08545	11.8
133.06509	3.3
133.10120	10.1
135.08095	2.0
135.11684	2.5
137.05984	1.7
137.09621	1.3
141.06976	1.0
142.07761	2.3
143.08556	1.5
144.50099	1.1
145.06483	2.4
145.10103	4.4
147.08043	4.0
147.11658	17.9
149.05991	1.9
149.09587	7.4
151.11086	0.9
153.12778	3.6
155.08572	1.6
157.06534	1.3
157.10117	12.2
159.07956	1.2
159.11647	1.3
161.05974	2.0
163.11150	5.2
165.12753	4.9
169.10115	1.3
173.04514	2.4
175.11174	14.1
181.12247	3.8
189.11205	2.0
191.10684	2.6
193.12216	43.9
194.12569	2.2
207.47141	1.0
211.13275	55.9
212.13577	1.1
217.12308	1.3
227.12709	4.8
229.14433	2.2
231.14143	1.4
235.13365	1.1
249.14928	3.2
267.15900	24.8
273.14911	2.5
283.15506	3.4
285.16931	18.7
285.19650	1.5
301.14322	5.5
309.17029	1.5
319.15479	2.7
337.16559	3.2
355.17450	6.5
367.22714	2.7
375.18066	1.5
385.23691	3.6
393.19263	4.2
411.20276	4.4
429.21140	4.9
459.27548	13.0
477.28400	16.8
495.29501	21.3
519.29187	1.8
561.30499	2.6
573.30133	1.8
585.30646	4.8
603.31421	3.6
621.32642	19.0
639.33698	49.4
640.33844	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	639.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69226	0.5
52.83068	0.4
53.03936	4.8
55.01862	5.9
55.05504	16.9
56.78647	0.5
57.03429	9.7
57.07066	1.7
59.04995	0.8
59.61821	0.5
61.02924	0.9
63.27186	0.4
65.03925	2.2
67.05494	26.9
69.03418	14.9
69.07059	7.9
70.01839	3.2
71.01334	1.1
71.04984	5.9
73.02911	0.9
74.94370	0.5
79.05482	28.3
81.03407	100.0
81.07043	29.3
82.03720	1.3
83.04969	22.0
83.08101	1.1
83.08607	21.7
85.02895	24.5
85.06521	2.2
87.04448	0.8
91.05468	32.9
92.05817	0.7
93.07031	19.6
95.04956	30.8
95.08591	11.0
96.58937	0.5
97.02880	15.9
97.06519	6.3
97.10154	6.6
98.21376	0.6
99.04449	4.7
99.08080	1.2
101.02401	0.7
101.05971	0.5
103.03958	1.0
103.05458	1.3
105.07015	24.8
106.07320	0.6
107.04938	8.6
107.08582	11.9
109.02866	16.1
109.06503	7.0
109.10139	5.7
111.04433	12.5
111.08067	11.1
113.05996	2.5
115.05463	2.5
117.07008	4.7
119.04924	1.1
119.08562	19.4
121.02837	0.9
121.06479	4.7
121.10133	11.0
121.10970	0.9
123.04423	2.7
123.08057	2.7
123.11674	3.7
125.05967	1.2
125.09611	4.1
127.03890	9.2
127.07566	0.6
127.11177	0.7
128.06216	1.0
129.05470	1.8
129.06982	12.9
131.04913	1.6
131.08554	12.2
133.06505	3.4
133.10109	12.1
134.10437	0.7
135.04388	1.1
135.08063	2.2
135.11667	3.8
137.06018	1.4
137.09605	1.9
137.13200	0.8
139.03893	0.5
142.07744	3.0
143.08533	1.5
145.04909	0.7
145.06471	2.3
145.07520	0.6
145.10101	5.7
147.04387	1.4
147.08006	4.6
147.11664	21.3
149.05983	1.5
149.09604	9.4
151.03917	0.6
151.11183	1.5
153.05458	0.7
153.09138	0.7
153.12709	2.5
155.08522	1.5
157.06514	1.0
157.10109	15.3
159.08070	1.2
159.11674	1.2
161.06015	1.4
161.09564	0.9
161.13167	0.5
163.07582	0.7
163.11153	5.4
165.05515	0.9
165.06927	0.7
165.12743	5.9
169.10033	1.0
171.08055	0.9
171.11752	1.7
173.04465	2.5
173.05876	1.1
173.09666	1.9
173.13260	0.6
175.07576	0.9
175.11165	14.2
177.09192	0.6
177.12746	0.7
179.03377	4.2
181.12241	3.3
183.06633	0.6
185.13286	0.7
187.11205	0.8
189.05391	0.8
189.11249	1.7
189.12756	1.4
191.07034	0.6
191.10609	4.1
193.04976	1.0
193.12218	41.1
197.04417	1.1
199.07556	0.7
199.11266	1.1
203.07094	0.5
205.12277	0.9
209.11684	0.8
211.13261	57.0
212.13676	1.7
213.12837	0.8
217.05080	0.5
217.12299	1.1
219.10236	1.0
223.13242	1.0
227.12708	5.4
229.12204	0.9
229.14113	2.5
231.13889	0.7
233.15474	0.7
235.09613	7.7
235.13289	1.1
237.11101	0.8
247.13321	0.8
249.11154	1.1
249.14865	2.2
255.13867	0.7
255.52487	0.5
257.04697	0.8
259.13275	1.0
265.14618	0.7
267.15894	26.3
268.16293	0.8
273.11975	0.8
273.14728	3.1
277.14359	1.4
283.15640	1.6
285.16959	16.7
287.12952	0.5
289.14508	0.9
295.15475	0.7
297.27957	0.5
298.33588	0.5
301.14255	7.5
303.15891	1.1
309.17010	1.0
313.16513	1.1
319.15533	3.6
321.16953	0.9
337.16537	4.0
339.18594	0.5
347.19232	0.6
349.21841	1.2
351.17825	0.7
355.17691	5.3
357.20541	10.3
357.24414	1.0
367.22650	2.5
375.17987	1.5
375.21906	1.6
385.23636	4.0
393.18964	4.4
403.24899	1.7
411.20203	7.9
411.25375	1.1
429.21347	4.2
441.26758	3.1
459.27438	16.9
477.28442	19.8
493.27548	0.6
495.29486	14.4
496.29794	0.7
501.28494	1.2
511.28720	1.1
519.29248	1.4
543.29333	0.9
547.28656	0.8
561.30591	1.1
567.29883	0.7
573.30518	1.6
585.30396	3.6
603.31622	5.1
621.32513	17.9
622.32751	1.1
639.33667	48.3
640.34076	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	639.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01862	5.6
55.05502	19.4
57.03431	8.9
57.07082	0.9
59.04980	0.9
62.30964	0.9
62.40897	0.8
65.03941	2.3
65.05408	0.7
67.05495	30.5
69.03416	14.9
69.07049	7.5
69.57762	7.9
71.04984	6.2
73.44405	0.9
73.44794	0.9
79.05478	29.2
80.05831	1.2
81.03405	100.0
81.07047	31.3
82.03742	1.1
82.07409	1.0
83.04971	20.9
83.08605	23.5
85.02892	23.9
85.03403	1.4
85.06544	3.1
87.04419	0.9
89.22484	0.9
91.05464	32.9
93.07031	22.3
95.04955	31.0
95.08585	12.1
95.87508	0.8
97.02884	13.4
97.06514	5.3
97.10143	8.5
99.04445	3.9
99.08076	2.0
101.02315	0.8
103.03923	0.8
105.07014	26.2
107.04941	8.8
107.08582	13.7
109.02862	19.2
109.06519	6.1
109.10134	5.1
111.04430	11.7
111.08060	10.6
113.05982	2.3
115.05452	2.4
117.06995	4.8
119.04886	1.5
119.08562	20.8
121.06506	5.1
121.10123	12.5
123.04386	1.5
123.08062	3.5
123.11707	2.5
125.09588	5.0
127.03889	8.1
129.05495	2.4
129.06999	11.5
131.04921	1.7
131.08556	13.6
133.06491	3.5
133.10109	10.2
135.04431	1.1
135.08055	2.3
135.11668	4.2
137.05994	1.0
137.09592	1.7
141.07024	1.4
142.07787	3.1
143.08580	1.9
145.06450	2.1
145.10118	3.9
147.04407	1.2
147.08049	4.9
147.11664	18.1
149.06023	1.6
149.09645	6.3
151.11150	1.6
153.12737	2.3
155.08519	1.5
157.06581	1.0
157.10127	15.6
159.08092	0.9
159.11694	1.5
161.05917	1.1
163.03900	1.9
163.07594	1.4
163.11172	6.4
165.12750	5.9
169.10059	1.2
171.11772	1.6
173.04527	2.1
173.05998	1.1
173.09615	1.0
175.11168	16.6
181.12242	3.8
183.06555	1.1
187.11310	1.0
189.05406	1.2
189.11185	2.3
189.12758	1.6
191.10655	3.8
193.12222	40.3
194.12576	2.3
195.13820	1.1
199.11159	1.0
209.11797	2.4
211.13263	57.6
212.13605	2.0
217.12195	1.2
227.12662	5.7
229.14403	1.7
235.13367	1.9
249.14917	1.9
255.13690	1.6
259.13132	1.1
265.14108	1.1
267.15869	26.5
273.14813	4.3
277.14386	1.6
277.42300	1.0
283.15491	2.4
285.16977	15.9
301.14157	5.1
309.16928	1.3
319.15359	1.8
337.16321	2.9
351.18066	1.4
355.17621	5.5
367.22687	1.3
375.17789	1.5
385.23584	5.0
393.18918	5.3
403.24725	1.8
411.20190	6.3
429.21436	4.5
441.26077	2.1
459.27441	15.8
460.27966	1.6
477.28394	20.4
478.28900	1.3
495.29514	19.4
496.29709	1.4
501.28067	1.6
511.28983	1.7
519.29523	1.3
561.30713	1.8
567.29541	1.1
573.30231	1.4
582.74365	1.0
585.30396	4.1
603.31293	5.6
621.32574	17.8
622.32611	1.6
639.33606	53.8
640.34167	4.1
644.49799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01847	0.2
55.05493	0.3
57.07058	0.3
59.82175	0.2
67.05495	1.0
69.03409	0.4
69.07059	0.5
79.05483	0.9
81.03396	0.5
81.07049	1.3
83.08572	0.3
91.05469	1.2
93.07032	1.0
95.04937	0.5
95.08600	0.5
97.06528	0.5
105.07007	0.8
107.04945	0.3
107.08564	0.4
109.06470	0.2
109.10132	0.2
117.07020	0.3
119.08566	0.9
121.10128	0.4
123.38036	0.2
130.95122	0.2
131.08546	0.6
133.10139	0.7
135.11655	0.3
140.63837	0.2
145.10143	0.4
147.11676	0.2
159.11644	0.4
177.12788	0.3
197.10753	0.3
199.43948	0.2
204.06487	0.3
220.89841	0.2
251.08118	0.3
252.64833	0.2
275.20065	0.7
376.16647	0.3
377.17615	0.5
378.18649	0.3
379.19193	0.8
381.48364	0.3
390.18707	0.5
391.19443	1.2
392.19940	0.4
393.21045	1.1
395.22220	0.3
403.15222	0.3
405.17014	1.4
405.20871	1.1
406.17899	0.9
406.22168	0.4
407.18283	0.9
407.22870	3.0
408.23157	0.5
415.15530	0.2
418.17285	1.2
419.18298	4.2
419.23425	0.4
420.19012	1.6
421.20169	3.3
422.20959	0.5
423.21695	0.7
431.18954	0.3
432.19373	0.6
433.20212	10.3
434.21109	4.8
435.21899	5.9
436.22479	0.8
445.15976	0.3
446.21115	0.2
447.22226	1.7
448.18527	0.4
449.19537	5.5
450.20352	0.7
451.21002	0.3
461.18707	1.2
462.20416	0.7
463.21780	1.7
464.21957	1.6
465.23233	1.6
466.23557	0.4
475.21387	0.4
477.23166	0.3
478.20197	0.7
479.20401	1.4
481.22025	0.3
489.22998	0.4
491.20486	1.6
492.21368	3.3
493.21939	4.5
494.22589	0.3
505.22467	1.8
506.23108	0.6
507.23865	0.8
509.24957	0.3
519.23834	0.9
520.24469	0.9
521.25598	8.2
522.25995	0.9
523.27606	1.1
524.23944	0.5
535.23383	0.5
537.20935	1.0
538.25635	0.3
549.24805	0.4
551.25507	1.1
552.24255	0.3
565.24316	0.5
579.25989	20.2
580.26166	2.2
581.27448	1.9
582.28162	0.4
607.25269	0.6
608.26239	0.3
610.24377	0.3
611.28467	0.3
621.41443	0.3
639.28027	100.0
640.28308	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.86156	0.3
55.17994	0.3
60.35320	0.3
67.05482	0.5
69.35115	0.4
69.58436	1.5
69.58865	1.8
81.07052	0.5
108.33603	0.4
109.10124	0.5
111.34459	0.4
121.10181	0.4
196.67755	0.3
210.11572	0.4
221.10818	0.7
222.11272	0.4
312.14807	0.4
313.15762	0.5
315.17523	0.4
322.72305	0.4
326.16580	0.4
377.17673	1.9
378.18643	1.3
387.17111	0.5
388.17966	0.4
389.18115	0.8
390.18622	1.3
390.38483	0.4
391.19128	4.6
392.19843	3.5
393.20920	1.5
402.22159	0.4
403.19656	1.2
404.19974	1.6
405.20670	8.9
406.21417	4.6
407.22235	12.7
408.22482	0.4
412.19406	0.4
417.21075	0.9
418.21704	1.0
419.22357	4.8
420.22964	4.8
421.23776	19.0
422.17401	0.6
422.24573	3.8
431.22946	0.8
432.23499	0.5
433.24374	4.2
434.24704	1.5
435.18201	1.4
435.25259	0.8
436.18781	2.1
437.19666	0.5
445.20169	1.0
446.20587	0.6
447.20813	0.6
447.25754	1.4
449.19751	1.0
449.27029	1.0
450.20395	1.5
450.26968	0.6
451.21222	15.0
452.22009	4.0
458.17267	0.6
459.21674	0.6
460.22220	0.5
461.23804	1.7
463.21298	2.1
464.22244	1.3
465.22794	18.4
466.23383	2.6
472.18958	0.5
473.19629	1.3
475.20667	1.2
475.25720	1.1
476.21317	0.6
477.23004	1.1
478.23639	1.8
479.24615	1.6
487.21124	2.1
488.22012	2.3
489.22971	0.5
491.20804	1.4
492.20377	1.7
493.26212	2.2
501.22760	2.2
502.23672	0.7
503.24304	14.5
504.24792	1.6
505.22116	1.0
507.27542	11.5
508.28238	2.6
518.22687	0.4
519.23956	1.0
523.23267	3.7
533.25574	1.4
535.27020	17.1
536.27356	1.3
537.24829	9.7
551.26471	5.4
552.27264	16.0
552.34094	0.2
561.24854	4.4
562.26257	0.8
579.25952	6.5
580.26514	2.1
593.27686	1.4
595.29150	6.1
621.27020	16.3
622.28192	0.5
639.28015	100.0
640.28137	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	638.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01853	4.3
55.05505	37.9
56.77110	1.1
57.03428	12.0
57.07071	19.0
67.05145	2.4
67.05495	43.4
69.03414	2.4
69.07060	55.6
69.07434	3.1
71.04976	3.9
71.08624	12.0
71.81249	1.7
79.05486	28.9
81.03407	3.0
81.07045	48.9
83.04983	7.4
83.08605	42.2
85.06529	2.9
85.10176	3.7
89.06007	3.1
91.05469	23.2
93.07036	32.3
95.04973	6.6
95.08588	22.3
95.09188	1.6
97.06517	12.3
97.10152	26.4
99.08077	3.2
105.07021	20.7
107.04938	3.0
107.08578	24.8
109.06518	4.6
109.10146	8.3
111.08073	4.9
111.11716	6.4
117.06998	8.9
118.18629	1.6
119.08566	17.3
121.06544	2.0
121.10130	12.7
123.08083	2.5
123.11711	4.0
125.09586	2.6
125.13229	1.4
129.07007	2.9
131.08563	11.3
133.10120	14.4
135.08054	3.9
135.11679	14.3
137.09586	3.0
143.08585	1.5
145.10098	11.9
147.08055	2.3
147.11659	8.3
149.09593	5.3
149.13226	7.3
151.11118	1.8
157.10120	4.2
159.11646	7.9
161.13281	1.7
163.11163	4.1
165.12709	2.1
171.11551	1.6
173.13223	3.1
177.12738	2.3
179.14308	1.8
181.12215	1.7
195.13808	4.6
213.35426	1.3
217.15988	2.1
221.08133	1.5
229.19537	1.3
237.22112	4.5
239.17981	2.3
251.16470	1.8
253.14336	2.4
255.15846	10.1
257.18994	4.2
267.15884	2.8
269.17462	15.7
275.20035	22.6
275.27988	1.3
291.19537	1.9
293.21039	1.5
311.25769	75.1
312.26202	1.4
313.27408	2.0
321.49426	1.4
331.22702	2.4
349.23691	21.2
367.24808	3.0
491.37216	31.3
505.38837	100.0
506.39090	4.5
521.38507	1.4
545.42023	2.4
585.45105	19.1
603.46222	7.4
620.44806	1.6
642.21027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.3
53.80801	1.5
54.72334	1.4
55.01865	7.4
55.05505	24.9
57.03427	16.4
57.07040	2.0
61.02900	2.2
63.25013	1.3
65.03911	4.2
67.05493	82.0
69.03420	22.2
69.07052	22.5
71.01334	1.8
71.04980	10.7
71.78132	2.8
73.02902	2.0
77.03886	2.0
79.05480	72.7
81.03405	50.8
81.03883	2.1
81.07044	81.5
82.69290	1.4
83.01304	1.5
83.04967	24.7
83.08602	17.4
84.53099	1.3
85.02902	15.2
85.06520	5.2
91.05466	63.9
93.07029	86.9
95.04955	28.1
95.08595	33.4
97.02892	13.9
97.06524	13.1
97.10152	5.7
99.04430	6.8
99.08057	3.5
101.02364	2.0
103.05421	3.4
105.07018	37.4
107.04948	12.5
107.07840	2.6
107.08575	33.0
109.02839	9.6
109.06527	10.4
109.10141	8.2
111.04428	5.9
111.08057	7.5
115.05418	3.6
117.07008	22.7
119.04942	2.5
119.08565	25.8
121.06534	6.6
121.10126	18.0
123.04388	4.5
123.08077	6.9
123.11681	2.6
125.09640	2.0
127.03885	8.8
127.07499	1.7
128.06227	4.9
129.05458	3.4
129.06985	25.3
131.04897	3.1
131.08539	22.0
133.06436	5.8
133.10098	16.1
135.08029	3.9
135.11694	10.2
137.09610	2.4
141.06949	3.6
142.07642	1.4
143.08546	16.0
145.06461	6.9
145.10098	12.3
147.08046	7.4
147.11659	27.1
149.06015	1.7
149.09590	2.3
149.13237	19.6
151.11234	1.7
153.07002	1.8
155.08511	3.9
156.09412	1.5
157.06453	3.4
157.10095	3.7
159.08041	5.5
159.11674	11.3
161.05998	1.6
161.09612	5.8
161.13176	10.1
163.11157	3.5
165.12776	2.2
167.08569	1.8
169.06303	1.6
169.10060	1.8
171.07997	3.4
171.11644	15.3
173.04402	5.4
173.05846	1.7
173.09555	1.7
173.13235	2.7
175.11224	1.9
177.12688	8.2
181.10109	1.8
181.12212	1.7
182.69505	1.5
183.08020	1.7
183.11723	2.1
185.13179	2.9
189.12637	7.8
195.12019	1.7
195.13721	9.2
197.13142	1.8
205.12323	1.8
207.13765	23.4
211.13197	2.6
213.12738	1.7
223.14850	1.5
225.14799	3.4
227.12614	3.5
231.13593	1.5
241.15802	4.2
251.16379	2.1
257.15317	2.0
259.16821	3.1
269.15268	5.2
269.17581	33.2
271.16843	2.3
273.14960	1.8
281.17447	33.8
287.16333	11.6
305.17444	2.1
315.15692	1.7
333.16800	2.8
339.18036	3.8
343.19064	1.6
351.18054	3.1
359.18591	1.6
361.20001	3.2
395.20749	2.0
413.21597	14.0
425.21500	5.0
475.30594	100.0
476.30856	2.7
489.31436	2.8
527.33258	2.3
555.32880	6.2
601.33417	2.9
619.34888	23.5
637.31824	5.8
637.39404	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	637.3572
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
50.50792	0.8
53.03938	6.6
55.01846	4.1
55.05503	19.7
57.03185	1.0
57.03428	10.3
57.07059	1.6
57.70898	0.9
59.79236	0.7
65.03916	4.1
67.05494	52.5
69.03416	13.9
69.07058	15.7
70.68277	0.8
71.01317	1.1
71.05004	5.4
71.55709	0.8
71.80741	1.0
73.02905	1.2
73.06541	1.4
77.17129	0.9
79.05479	60.4
81.03406	30.6
81.07043	63.1
83.04964	22.3
83.08605	11.1
85.02895	6.7
85.06522	3.5
91.05466	48.5
93.07027	64.4
95.04949	19.5
95.07993	1.6
95.08588	26.0
97.02881	8.2
97.06517	6.2
97.10161	4.4
99.04420	3.4
99.08085	2.1
99.12387	1.0
103.05495	1.6
105.04478	1.3
105.07012	31.1
107.04947	7.3
107.08577	22.1
107.09311	0.9
109.02844	6.8
109.06482	6.3
109.10157	5.5
111.04427	4.8
111.08051	4.0
113.09651	1.1
115.05421	1.7
117.07001	14.2
119.08561	22.7
121.06474	3.0
121.10123	11.1
123.08054	5.8
123.11684	2.7
125.09634	1.1
127.03924	7.6
128.06165	2.5
129.05501	4.7
129.06984	13.2
131.04941	1.5
131.08537	11.8
133.06480	3.3
133.10109	13.1
133.90269	1.1
135.08000	1.6
135.11678	6.7
137.09615	1.7
141.06985	2.1
141.09093	1.0
142.07712	1.7
143.08539	9.3
145.06415	2.7
145.10100	8.5
147.08020	3.5
147.11662	25.1
149.09619	1.0
149.13239	10.4
151.11093	1.2
155.08479	2.4
157.10069	3.4
159.11635	7.2
161.09552	2.0
161.13232	6.8
163.11143	2.1
165.12694	1.0
167.08549	1.6
169.10083	1.3
171.07979	1.1
171.11661	17.1
173.04463	1.7
173.05882	1.5
173.09496	1.3
173.13217	1.3
175.11183	1.5
177.12680	4.3
179.14282	1.2
183.11562	1.2
189.12704	6.2
191.14247	1.6
195.13751	5.9
207.13756	21.6
213.14774	1.3
219.13745	0.9
225.14751	2.4
251.16483	2.0
265.49863	0.8
267.15857	2.6
269.14975	1.5
269.17419	10.4
275.16455	1.3
281.17432	43.9
287.16354	1.3
297.17175	0.9
306.34082	1.1
321.16968	1.3
339.18079	4.2
344.60529	0.9
351.17902	1.5
365.24576	1.2
377.19656	1.1
395.20615	4.7
413.21649	19.6
425.20972	1.2
438.11539	0.9
457.29626	4.4
475.30499	100.0
476.30896	3.3
583.32666	1.2
619.34613	43.8
637.24664	1.5
637.41162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.9
55.01628	1.1
55.01867	12.1
55.05504	25.6
57.03193	1.0
57.03436	12.6
57.07069	1.8
59.04992	2.4
61.02913	1.6
64.15443	0.8
65.03931	3.6
67.05495	48.2
68.05827	1.3
69.03421	22.9
69.05526	0.8
69.07058	9.3
69.62380	3.0
69.62806	4.4
71.01340	3.4
71.04983	9.4
73.02914	3.2
77.03905	1.3
79.05018	1.8
79.05482	37.5
81.03405	100.0
81.07043	34.9
82.03754	1.8
83.01328	3.4
83.04969	24.0
83.08604	20.2
85.02892	21.7
85.06555	2.8
85.28527	0.9
87.04464	1.0
91.05463	34.3
92.05766	1.1
93.07031	31.1
95.04952	28.6
95.08596	17.3
97.02876	19.8
97.06527	7.3
97.10155	12.7
98.20670	1.1
99.04440	7.9
99.08089	2.0
101.02345	0.9
103.05473	2.3
105.07017	26.3
105.07729	1.7
107.04939	18.6
107.08574	18.6
107.81178	0.7
109.02859	21.8
109.06507	7.7
109.10136	21.4
109.10863	1.3
110.10476	1.9
111.04424	14.2
111.08072	9.6
113.05994	1.2
115.05448	3.4
117.07005	9.6
119.04950	2.1
119.08562	19.5
121.02840	3.4
121.06484	8.2
121.10134	14.2
123.04408	4.0
123.08039	6.0
123.11716	2.3
125.05989	3.0
125.09608	10.0
127.03898	12.8
128.06239	2.8
129.05469	1.9
129.06979	11.1
130.07782	1.1
131.04921	3.6
131.08548	14.6
133.06474	3.4
133.10110	8.8
135.04425	4.0
135.08009	5.2
135.11662	10.4
137.05957	3.1
137.09628	3.6
138.15894	0.8
139.03903	1.6
141.07022	2.5
142.07784	2.4
143.08560	4.0
145.06415	4.5
145.10110	14.4
147.04399	1.9
147.08017	5.1
147.11679	11.6
149.05995	3.0
149.09610	5.3
151.03935	1.2
151.07568	1.1
151.11151	1.3
153.06960	0.9
153.09116	1.2
153.12759	5.8
155.08588	2.1
155.10698	1.1
157.06485	1.5
157.10098	8.9
159.08073	2.0
159.11636	1.9
161.05975	3.2
161.09641	2.3
163.07574	1.1
163.11157	17.0
165.12753	3.6
167.08562	1.5
169.06567	1.1
169.10103	1.3
171.04480	1.1
171.08032	2.6
171.10307	1.2
171.11693	1.6
173.04460	11.7
173.09598	5.8
173.11685	4.1
173.13173	1.2
175.07468	0.9
175.11160	9.1
177.12782	1.1
181.10117	1.3
181.12201	7.2
183.06523	1.5
183.08029	0.9
183.11703	1.8
185.06100	1.2
185.09589	1.7
187.07693	1.1
187.11180	2.1
189.09413	1.2
189.11215	5.6
189.12721	1.6
191.10635	9.5
193.10408	1.0
193.12209	24.7
194.12573	2.9
197.09662	1.3
201.12740	2.0
205.12204	1.1
209.11653	7.9
211.11267	2.2
211.13258	32.8
212.13657	3.0
213.12718	1.2
219.13818	3.3
220.82059	0.9
223.13234	0.9
227.12709	18.4
228.13152	1.1
229.12245	1.4
229.14279	11.9
230.14705	3.5
231.13823	1.8
235.13344	1.3
247.13260	4.9
249.14841	3.0
253.12212	1.4
255.13794	1.8
257.04675	0.9
259.13361	1.3
265.14331	4.5
267.15906	12.0
268.16180	1.7
271.13199	1.3
273.14832	3.7
283.15405	8.2
285.16965	5.7
286.17358	1.5
289.14417	2.6
301.14362	2.7
304.60297	1.0
309.17310	1.1
311.16110	0.9
319.15469	2.3
321.17041	1.9
335.15021	1.8
337.16492	2.8
353.16104	4.4
355.17566	3.8
355.22504	1.5
359.22467	0.9
365.21106	2.0
375.18198	1.1
383.22211	3.0
393.18961	1.4
401.23178	1.9
403.25220	1.5
409.18579	2.9
411.20209	3.0
421.25778	4.7
422.26224	2.8
427.19623	2.6
439.26672	4.4
440.27179	14.0
447.27313	2.1
457.25946	7.1
475.26904	22.9
476.27481	1.5
493.27945	10.3
499.26843	1.4
509.25909	1.1
517.28296	2.3
529.27850	1.0
555.29297	1.2
559.29016	0.9
583.29114	2.0
601.30029	3.5
619.31207	12.9
620.31683	1.3
637.32086	63.1
638.32495	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	637.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
54.06153	1.0
55.01631	1.3
55.01871	12.9
55.05508	26.2
57.03433	10.5
59.05001	2.3
61.02884	1.1
64.26760	0.9
64.93136	1.0
65.03940	2.0
66.62777	1.0
67.05137	1.8
67.05500	26.3
69.03426	20.2
69.07060	6.8
71.00292	1.2
71.00647	2.7
71.01344	2.1
71.04987	8.2
73.02905	2.5
77.03903	1.1
79.05488	36.0
81.03412	100.0
81.07049	28.2
82.03725	1.0
83.01346	5.5
83.04974	27.8
83.08614	21.2
85.02898	18.4
85.06520	2.4
91.05469	26.8
93.02848	1.0
93.07041	30.5
95.04962	25.8
95.08600	14.9
97.02888	16.5
97.06528	8.9
97.10166	10.1
99.04457	8.0
103.05507	1.3
105.03387	1.1
105.07021	23.5
107.04961	17.5
107.08582	16.6
109.02871	21.7
109.06504	9.4
109.10130	5.8
111.04440	15.7
111.08073	10.7
113.06023	1.7
115.05470	2.0
117.07004	9.9
119.04936	1.4
119.08570	18.6
121.06497	6.3
121.10133	11.4
123.04418	4.0
123.08025	5.1
123.11713	2.5
125.05969	2.4
125.09621	7.8
127.03909	15.0
128.06247	1.3
129.05476	2.4
129.06978	7.8
131.04947	2.6
131.08551	9.7
133.06480	2.7
133.10141	7.2
135.04401	1.9
135.08040	3.7
135.11688	11.9
137.05984	1.8
137.09645	1.3
140.24080	1.1
141.06956	1.1
142.07715	1.7
143.08572	1.9
145.06474	3.5
145.10101	13.2
147.04393	2.4
147.08047	4.1
147.11690	10.7
149.05923	1.6
149.09634	5.0
153.12758	8.9
155.08588	2.5
157.06532	1.1
157.10124	8.6
159.08112	1.4
161.05989	1.5
161.09569	1.8
163.11179	21.3
165.12697	2.7
169.09938	1.3
173.04472	3.8
173.05890	1.2
173.09645	5.2
175.11172	10.6
181.12204	9.6
183.06622	1.3
189.11188	3.6
189.12756	2.0
191.10664	7.6
193.12227	25.1
209.11761	6.8
211.11237	2.2
211.13271	40.0
227.12740	18.6
229.12241	1.1
229.14331	2.1
231.13931	1.7
235.13370	2.3
243.13995	1.2
249.14890	2.0
265.14429	4.1
267.15881	12.1
271.13339	1.2
273.14957	2.7
283.15384	13.2
285.17041	3.6
289.14319	2.2
301.14383	4.4
319.15430	1.6
319.32172	1.0
337.16556	2.8
353.15939	5.9
355.17587	5.2
355.22144	1.2
381.14340	1.1
383.22375	3.5
391.17487	1.7
391.72519	1.0
393.19000	1.8
401.23349	1.7
409.18454	1.8
411.20145	4.5
427.19775	3.1
439.25943	1.1
440.27747	1.3
453.01151	1.1
457.25903	7.2
475.26834	18.9
493.27957	19.0
494.28354	1.5
509.26627	1.8
517.27856	1.3
559.28619	2.0
565.26740	1.4
571.29498	1.5
583.28894	2.0
589.29742	1.5
601.30176	3.0
619.31299	11.8
637.32135	82.0
638.32782	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	637.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34675	0.4
65.86491	0.4
67.05453	0.7
69.07021	0.8
81.06979	1.1
81.17120	0.3
91.05392	0.5
93.06992	0.8
95.08541	0.7
97.10125	0.5
105.06949	0.4
107.08528	0.9
109.10105	0.8
119.08520	0.6
121.10074	0.7
123.11598	1.3
131.08511	0.4
135.11601	0.9
144.91176	0.4
165.05432	2.7
177.09036	0.6
196.32246	0.4
203.06975	0.6
205.08606	3.2
219.10042	0.5
221.08064	0.6
221.11612	1.4
223.09624	3.8
287.16373	1.8
291.15710	0.7
326.16464	0.4
343.19174	0.5
345.20404	2.3
363.21655	0.4
377.17477	0.6
388.17685	0.5
389.18448	0.6
390.18884	0.5
391.19025	1.4
392.19870	0.7
393.21246	0.4
393.27173	0.4
399.16220	1.0
400.16949	1.0
401.17670	1.1
402.19156	0.7
403.19312	0.8
404.20856	0.7
405.20694	4.0
406.21429	4.4
413.17661	1.3
414.18488	1.9
415.19287	3.9
416.20291	0.5
417.20914	0.9
419.17786	0.6
419.22336	1.5
420.23068	4.2
421.23816	6.7
422.24347	0.4
427.19318	1.6
428.20178	2.1
429.20819	9.0
430.21805	2.4
431.22382	1.3
432.23297	0.7
433.19904	1.7
433.24045	1.7
434.24631	1.2
441.21124	0.5
442.21832	2.0
443.22507	6.1
444.23334	4.2
445.19684	2.8
446.20969	1.0
447.17328	1.8
449.26974	0.6
455.18613	0.4
456.19675	1.0
457.19455	1.3
457.24060	2.2
458.19223	0.5
458.24731	5.2
459.21793	6.8
460.22748	3.9
461.19217	5.4
462.20282	0.6
465.35559	0.6
470.20947	1.1
471.21951	1.6
472.22449	5.2
473.18399	2.1
473.24442	0.6
475.20737	1.9
476.21823	3.8
477.26205	0.5
485.23431	10.8
486.19769	1.4
486.24405	1.9
487.20593	2.1
488.22006	4.7
489.22745	1.2
490.23962	0.9
491.24332	0.7
492.25449	0.5
493.22668	0.5
499.21359	0.8
500.22220	1.7
502.23395	0.6
503.24365	14.5
503.31778	0.7
504.21826	0.7
505.22565	0.6
507.27765	0.4
513.22607	2.6
514.23572	1.7
517.26031	7.1
519.23816	0.6
529.26233	2.0
535.26996	19.9
536.27692	0.8
545.25446	60.6
546.26013	2.0
563.26270	3.9
573.24921	14.1
577.27911	1.2
578.28467	0.6
605.27515	60.8
606.27734	2.1
637.30133	100.0
638.30420	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	637.301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13588	0.2
66.04995	0.3
67.05476	0.5
69.07049	0.3
69.50644	0.6
69.51057	2.1
79.72811	0.2
81.07043	0.6
93.07042	0.5
107.08540	0.3
109.10120	0.5
117.34681	0.3
121.10086	0.3
123.74396	0.3
387.16159	0.4
389.17627	0.5
391.19058	0.4
400.16934	0.3
401.17847	0.4
402.18201	0.7
403.19260	1.0
404.20340	0.7
405.20889	0.5
406.21680	0.5
415.19263	1.5
416.19958	0.9
417.16644	0.9
417.21692	1.6
418.21774	0.3
419.22491	2.0
420.23193	0.4
429.16757	0.8
429.21555	0.6
430.17096	1.7
431.17935	2.8
431.23425	0.6
432.18527	0.6
432.24039	1.3
433.20175	0.8
434.21143	0.3
435.21793	0.9
442.17548	0.4
443.18069	2.0
444.18909	2.3
445.19968	9.2
446.20978	3.0
447.22235	1.2
457.20337	0.8
458.20880	8.5
459.21683	6.1
460.22708	6.1
461.19495	4.1
462.20508	0.9
471.22183	0.5
472.22736	0.5
473.23267	1.1
474.20599	0.3
475.21158	2.3
476.21918	1.5
477.22778	1.8
485.23312	0.3
489.22861	0.4
490.23676	0.9
491.24561	1.4
503.19806	0.3
503.25314	0.4
504.25381	0.5
505.22583	1.0
517.21832	1.4
518.23004	5.7
519.23712	0.6
531.23969	1.0
532.24695	0.6
533.25476	3.1
535.23163	1.5
545.25378	2.7
546.26282	2.1
547.26532	0.8
549.25128	1.0
560.24066	0.6
562.25732	0.6
573.24585	1.5
577.27948	3.2
592.26703	1.0
605.27545	15.3
606.27753	1.2
637.30090	100.0
638.30389	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	637.2642
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.70177	0.3
51.66018	0.3
51.76285	0.3
55.05497	0.3
64.83850	0.3
67.05501	0.3
67.25726	0.3
68.15527	0.3
71.81693	0.4
73.09670	0.3
79.05492	0.3
81.07029	0.5
93.07047	0.3
149.32253	0.3
168.47090	0.3
182.67804	0.3
209.10629	0.4
219.56592	0.3
221.10530	0.3
223.12419	0.4
324.52676	0.3
376.17371	0.4
387.16064	0.6
388.16666	0.7
389.17569	1.8
390.18787	0.5
401.17740	1.4
402.18423	1.2
403.19357	2.6
404.19894	1.0
405.20679	1.0
415.14780	0.6
415.19656	0.7
416.15991	0.9
417.17038	2.1
417.20996	1.7
418.21573	0.9
419.14499	0.4
419.22372	2.9
420.22852	0.6
429.16748	1.6
430.17905	0.9
431.17831	2.3
431.23627	0.5
432.19125	1.7
433.20468	0.9
443.18753	0.7
444.19351	0.6
445.20068	4.6
446.20999	2.5
447.22607	2.0
457.16064	0.4
459.21960	1.0
461.15091	1.6
462.16449	0.6
463.21396	3.5
471.18475	0.4
475.17703	1.6
476.17856	1.7
477.18701	1.9
489.18600	2.5
490.19873	7.8
491.20612	11.8
492.21078	1.1
503.20868	3.5
504.21533	1.2
505.25626	0.6
517.22479	2.3
518.23175	0.6
533.25458	6.8
535.20154	1.2
545.21655	0.8
549.25171	1.6
561.24744	0.5
562.22211	0.5
563.23083	0.4
577.24384	27.5
578.24939	2.4
593.27631	1.4
605.23804	1.3
609.27014	0.6
619.25372	0.5
637.26453	100.0
638.26764	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	637.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09032	0.4
62.90576	0.5
66.41370	0.6
67.05511	0.6
71.13452	1.4
81.07048	0.7
136.87560	0.5
156.22328	0.6
208.34354	0.5
209.10800	0.5
223.12599	0.5
238.55312	0.5
253.84581	0.6
264.94666	0.5
316.20685	0.6
363.16275	0.7
375.16745	0.8
376.17148	0.7
377.17572	1.9
378.18518	0.9
387.16397	0.9
388.17697	0.5
389.17957	0.6
390.18781	1.0
391.19107	2.7
392.20013	2.5
393.20770	3.7
398.16254	0.8
399.16174	1.6
400.16931	1.3
401.17621	2.9
402.18787	0.6
403.19464	1.1
405.20804	2.0
406.21442	0.9
407.22214	5.7
408.22461	0.5
413.17563	2.0
414.18524	2.3
415.19424	5.5
416.20313	1.1
417.21326	1.3
419.18594	1.1
420.19272	1.0
421.20047	4.1
427.19476	1.2
428.20157	1.6
429.21509	5.0
430.21484	1.6
431.18317	1.2
432.19357	0.7
433.20471	0.7
435.21573	4.3
436.22491	1.5
442.17651	1.2
443.17929	1.5
443.22522	2.7
444.18631	4.0
445.20065	1.9
446.20923	1.7
447.18213	2.1
448.18716	1.0
456.19754	1.2
457.20557	3.4
458.21115	3.2
459.17413	2.3
461.19388	2.4
463.21378	1.7
464.22043	0.6
471.22198	5.0
472.23297	3.6
473.19446	5.4
474.20425	2.5
475.22168	0.8
476.17978	0.6
484.18799	0.9
485.19763	3.2
486.20599	4.8
487.21500	2.5
488.21832	1.4
489.18884	2.2
489.23123	3.0
490.19135	3.7
491.20572	2.3
499.21292	9.1
500.23138	3.2
501.22711	1.0
502.20142	0.9
503.24286	3.2
513.19177	6.7
514.19678	2.0
516.21411	1.7
517.22333	13.8
518.22412	2.0
519.20490	1.2
521.25470	1.4
527.20703	2.0
528.21466	1.4
529.22205	1.3
530.22186	0.7
531.24335	11.4
532.24707	0.8
543.23846	1.4
544.21667	0.8
545.21802	1.8
549.24872	8.1
550.25378	1.0
559.23352	57.4
560.23767	4.9
577.24084	2.7
578.25238	1.5
587.22894	8.7
588.23352	0.8
591.26013	3.6
605.24005	6.4
609.26996	0.8
619.14587	0.7
619.25433	57.4
620.25781	5.6
637.26471	100.0
638.26825	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	637.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.3
59.19659	0.3
68.49653	0.4
69.73674	3.3
74.79871	0.4
91.56213	0.4
92.32201	0.3
108.84238	0.3
148.59344	0.4
178.74469	0.4
181.74167	0.4
218.83719	0.4
233.10580	0.4
235.12238	0.6
261.10342	0.4
278.32263	0.4
295.41583	0.4
348.38544	0.4
363.16290	0.5
373.14917	0.5
375.16217	0.5
377.17499	0.8
378.18301	0.5
385.14883	0.5
386.15189	0.6
387.15881	0.6
388.17300	0.7
389.18204	0.5
390.18805	0.6
391.19095	1.4
392.19684	1.1
393.20569	1.5
398.15781	0.5
399.15948	2.0
400.16974	2.4
401.17609	3.9
402.18777	0.9
403.19186	0.6
405.20590	1.1
406.21707	0.5
407.22241	2.9
409.56406	0.4
410.15915	0.5
411.16721	0.4
413.17712	2.4
414.18539	4.0
415.19348	6.7
416.19824	1.2
417.20877	0.8
419.18524	0.8
421.20151	2.2
425.17706	1.0
427.19193	1.4
428.20404	3.2
429.15720	0.5
429.21283	7.5
430.21396	1.7
435.21436	2.2
439.19104	0.6
441.16727	1.1
442.17834	1.6
443.18054	2.6
443.22406	3.5
444.18771	4.8
445.20056	2.2
446.21042	0.6
447.17621	0.7
455.18759	1.1
456.19226	1.4
457.20474	4.6
458.21317	2.8
462.20566	0.6
470.16708	0.5
471.22287	6.0
472.22925	4.8
473.19424	3.5
474.20410	1.0
475.17950	0.5
484.18829	0.8
485.19580	3.1
486.20566	5.2
487.21255	2.7
488.21716	1.2
489.22534	1.2
490.19644	2.7
491.20444	0.7
499.21332	9.7
500.22760	2.9
501.22314	0.7
502.19934	0.8
503.24771	4.3
511.21765	0.5
513.18842	1.0
514.19800	0.6
516.21631	1.5
517.22241	4.3
518.23230	0.8
521.25885	0.5
527.20624	3.0
528.21655	0.9
530.23035	0.8
531.23834	11.8
532.24207	0.6
541.22150	0.9
543.24194	1.3
545.21698	0.8
549.24799	1.1
550.25287	0.7
552.13660	0.4
559.23334	78.4
560.23816	4.7
577.24951	0.5
578.25165	0.5
587.22791	13.5
588.23187	0.8
605.23352	0.6
619.25427	100.0
620.25726	5.2
637.26483	14.1
638.26984	0.7
667.58496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.5
53.03926	1.6
55.01855	2.7
55.05503	10.1
56.23577	0.5
57.03157	0.6
57.03430	10.0
57.07063	1.7
59.04988	3.6
61.02907	3.9
65.03929	1.5
67.05494	56.8
68.05836	0.6
69.03418	6.1
69.07062	5.7
71.01359	0.4
71.04981	5.4
71.80943	0.7
73.02898	1.5
79.05479	16.3
81.03405	33.8
81.07042	20.2
83.04974	9.6
83.08611	14.7
83.09112	0.3
85.02894	17.6
85.06525	2.8
87.04441	1.0
91.03938	2.5
91.05467	18.5
93.07028	15.9
95.04948	13.9
95.08588	11.4
97.02876	6.3
97.06506	2.3
97.10158	3.1
99.04440	1.6
99.08045	1.2
101.06078	0.5
105.07017	12.9
107.04951	4.7
107.08572	8.6
109.02863	1.8
109.06499	3.0
109.10139	49.5
110.10501	0.7
111.04440	2.2
111.08058	7.0
113.05986	1.5
115.05433	0.8
117.07014	1.9
119.04945	0.9
119.08559	13.7
121.06451	1.2
121.10118	7.1
123.04418	1.0
123.08038	2.3
123.11684	0.9
125.05957	0.7
125.09616	1.7
127.03904	2.5
128.06149	0.7
129.06973	6.1
130.07768	0.6
130.08694	0.6
131.08560	6.3
133.06458	0.8
133.10109	7.0
134.10486	0.5
135.08031	1.0
135.11662	3.9
137.05991	0.7
137.09621	3.1
139.03893	0.9
142.07750	1.6
143.08546	0.7
145.04999	0.7
145.06500	0.5
145.10115	4.1
147.04425	0.9
147.08043	2.1
147.11673	8.3
149.09590	3.6
149.13252	0.8
153.12738	0.8
155.10686	2.3
157.06400	0.5
157.10107	6.9
159.11702	1.0
163.11166	2.8
165.12755	2.2
171.11731	0.7
173.04503	0.9
173.06017	0.5
173.11732	13.1
173.13142	0.7
175.11169	8.7
177.12813	0.5
181.12231	0.9
184.07330	0.6
191.10776	1.0
193.12218	22.2
209.11713	1.0
211.13260	34.1
227.12715	2.8
229.14313	52.6
230.14737	0.9
259.20392	0.8
267.15866	15.0
268.16245	0.7
273.03931	1.1
274.04059	0.7
277.21570	9.1
283.15372	2.1
285.16922	29.9
303.15732	0.7
329.21082	0.6
355.17755	0.6
383.21866	0.8
391.17029	0.7
401.22900	0.7
403.24591	1.4
411.20032	0.6
421.25769	18.0
422.26038	0.7
439.26871	100.0
440.27216	3.8
457.25745	1.9
475.26846	3.5
493.27863	1.5
583.30676	1.1
619.30811	2.2
626.66571	0.6
636.30664	0.7
637.32123	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	636.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
53.03928	2.0
55.01850	2.0
55.05246	0.9
55.05502	12.5
57.03168	0.8
57.03427	11.7
57.07053	1.5
59.04993	3.3
61.02919	4.6
61.05809	0.7
65.03910	1.4
67.05492	62.2
68.05829	0.9
69.03419	6.0
69.07060	5.5
70.24474	2.3
71.04977	5.0
71.33198	0.5
73.02901	1.1
74.09667	0.6
79.05029	1.0
79.05481	16.1
81.03405	38.9
81.07042	21.8
82.07326	0.5
83.01323	0.6
83.04964	10.4
83.08607	17.2
85.02895	17.2
85.06532	2.9
87.04423	0.6
91.03928	1.6
91.05467	20.8
93.07030	16.0
95.04954	16.5
95.08591	11.3
97.02885	6.0
97.06503	2.4
97.10123	3.5
99.04453	1.5
99.08058	1.1
103.03927	0.9
105.07008	11.5
106.07346	0.5
107.04939	5.7
107.08583	7.7
107.22338	0.6
109.02864	3.0
109.06524	2.9
109.10137	51.9
110.10500	0.8
111.04424	2.7
111.08061	8.3
113.05983	1.6
115.05439	1.2
117.06991	2.9
119.04954	0.7
119.08562	14.6
121.06486	1.5
121.10119	7.3
123.04376	1.2
123.08052	2.2
123.11668	0.9
125.09624	2.2
127.03903	2.6
129.05472	0.7
129.06976	4.2
131.04979	0.6
131.08527	5.6
133.06534	1.4
133.10094	7.1
135.04443	1.0
135.08000	0.8
135.11670	3.3
137.05936	0.8
137.09618	3.3
141.06918	0.6
142.07721	1.1
143.08482	1.0
145.04907	1.1
145.06494	0.9
145.10097	3.1
147.04401	0.7
147.08046	2.0
147.11655	8.4
148.28249	0.5
149.05988	0.6
149.09621	3.5
153.09143	0.6
153.12766	0.8
155.08530	0.7
155.10637	2.1
157.10095	8.7
159.11659	0.9
161.09651	0.7
163.11145	3.2
165.12721	1.8
169.10052	0.6
171.08107	1.0
171.11623	0.8
173.04439	1.3
173.09503	0.6
173.11710	13.5
175.11143	8.9
181.12216	0.8
183.11702	0.9
189.11171	1.2
191.10660	0.9
193.12219	22.4
209.11542	0.6
211.13257	37.0
212.13611	0.6
227.12798	2.0
229.14314	54.1
230.14751	0.9
247.13344	1.2
249.14828	1.4
265.14334	1.1
267.15881	14.2
273.03778	0.9
273.14929	0.8
277.21576	6.4
283.15393	1.5
285.16922	26.8
301.14139	0.7
329.10352	1.2
330.10443	1.6
337.16724	0.7
383.22482	0.7
403.24747	1.4
411.20340	0.7
413.28012	0.6
421.25797	15.9
422.26306	0.7
439.26852	100.0
440.27356	4.2
475.27051	3.0
493.27795	1.2
513.60657	0.6
583.31335	1.2
601.29230	0.6
619.30951	2.1
636.20300	0.6
637.32062	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	635.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.05496	3.0
57.03407	1.0
57.07054	1.9
67.05502	4.4
69.03408	1.5
69.07058	18.8
69.08037	0.8
71.04963	0.9
71.08600	1.3
71.59441	0.8
71.59772	1.6
79.05495	5.2
80.85121	0.7
81.07047	15.3
83.01339	4.0
83.01770	0.8
83.04955	1.3
83.08598	2.6
85.02902	0.9
91.05463	5.9
93.07030	14.1
95.04946	1.8
95.08588	14.7
97.06505	1.3
97.10122	1.0
105.07012	12.9
107.07909	1.4
107.08580	16.7
109.02844	1.3
109.06491	2.3
109.10146	9.2
117.07015	2.0
119.08563	16.7
120.89540	0.7
121.06492	8.5
121.10114	12.1
123.08026	1.7
123.11686	8.5
125.09612	1.0
127.03871	1.5
131.08530	3.3
133.10121	8.5
135.08025	4.8
135.11681	15.2
137.05940	2.3
137.09531	1.4
137.13246	1.8
142.07785	0.8
143.08583	1.9
145.10085	5.9
147.07993	1.1
147.11667	8.3
149.05911	1.5
149.09573	3.5
149.13226	3.7
151.03900	0.8
151.07526	2.4
151.11229	1.4
153.05400	4.4
157.10107	2.2
159.08040	3.5
159.11662	4.9
161.09627	1.0
161.13243	4.1
162.06731	1.5
163.03827	1.6
163.07506	6.7
163.14746	1.1
165.05460	18.6
165.09117	1.8
166.05768	0.9
167.07072	8.3
173.13246	2.5
175.07504	1.7
175.11215	0.9
175.14775	3.9
177.05417	2.5
177.09091	11.7
177.12660	0.9
177.16396	5.0
179.07037	3.3
179.10632	3.7
181.04889	2.0
181.08525	1.9
183.73912	1.0
187.07469	2.4
187.14778	1.3
189.05432	1.1
189.09056	4.2
189.16339	2.6
191.07014	6.6
191.10603	1.0
191.17902	2.2
192.07762	2.3
193.08621	5.8
195.10158	1.1
199.14699	2.0
201.16357	3.8
203.07004	11.5
203.10576	0.9
203.17917	10.4
203.19705	1.3
204.07735	1.0
205.08572	100.0
205.19481	1.3
206.09053	3.1
207.10133	59.6
208.10541	1.5
209.08467	1.0
209.11674	3.5
213.16269	1.5
215.10616	1.4
215.18094	1.0
217.08574	2.2
219.10172	6.1
221.08049	1.6
221.11690	4.4
221.19066	1.1
223.09615	14.8
224.09941	1.0
229.08496	1.0
231.10089	4.8
233.11699	10.9
235.13315	2.5
237.11179	1.2
243.10075	1.7
245.11690	3.2
255.21019	2.3
257.11902	1.3
257.22531	4.5
259.13303	1.0
271.13266	2.6
273.14865	4.0
275.16287	2.8
283.13351	1.3
285.14590	1.9
287.16357	3.1
289.17691	1.9
291.15958	1.1
301.17969	1.1
311.16159	1.3
325.17917	2.0
327.15564	1.2
327.19482	22.4
327.23157	1.8
328.19833	2.0
331.26483	1.2
339.19641	1.0
341.20798	1.5
343.18964	2.6
345.20569	5.6
347.22006	1.6
353.20993	2.6
354.21631	0.9
355.22604	2.2
365.21075	5.4
397.27246	1.3
407.25897	1.4
409.27414	17.1
410.27597	0.9
413.26685	1.3
423.28680	1.0
425.26291	1.2
427.23199	1.4
427.28479	19.4
431.27435	1.0
445.26251	1.5
477.33704	5.7
487.31747	5.2
495.34674	18.8
505.32700	2.4
529.36646	2.2
530.37567	4.3
531.38330	6.6
547.37781	17.5
548.38770	6.6
549.39404	23.1
550.39722	1.5
565.38892	5.0
567.39624	3.1
599.44733	1.6
617.45551	42.4
618.45758	4.6
635.46814	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05492	1.4
57.07061	0.5
58.14947	0.5
67.05485	2.7
69.03404	0.7
69.07059	9.0
71.05005	0.7
71.31767	1.1
79.05476	2.7
81.03420	0.4
81.07043	9.2
83.01328	3.6
83.08602	1.3
91.05463	3.2
93.07030	7.6
95.04947	0.7
95.08593	6.8
97.10172	0.7
105.07014	5.4
107.08582	8.1
109.02866	0.5
109.06475	0.6
109.10149	5.5
113.05990	0.5
117.07027	0.7
119.04943	0.5
119.08548	4.2
121.06489	3.9
121.10132	6.3
123.08055	0.6
123.11694	14.2
127.03878	0.7
131.08546	2.9
133.10123	4.1
134.07272	0.4
135.08035	4.2
135.11679	8.1
137.05957	1.5
137.13222	0.9
139.07518	1.2
141.52077	0.4
145.10094	1.8
147.11661	7.0
149.05965	1.3
149.09612	3.8
149.13199	2.7
151.07498	0.5
153.05438	5.5
155.07013	0.7
159.08026	5.3
159.11700	1.2
161.13240	6.0
162.06720	4.9
163.07530	8.5
163.14847	0.6
165.05460	30.8
167.07019	29.2
173.13272	0.7
175.07478	0.4
175.14780	1.4
176.08253	0.6
177.09090	16.9
177.16380	1.7
179.06987	1.2
181.08600	1.2
182.59926	0.4
187.07516	4.4
189.16348	2.8
191.07060	2.4
191.10680	1.0
191.17929	1.3
192.07747	0.8
193.08603	1.2
201.09059	0.6
201.16428	3.0
203.06938	0.6
203.10744	0.5
203.17924	17.1
205.08569	70.6
205.19559	2.5
206.08931	1.4
209.11678	0.6
211.09636	1.1
215.10631	0.9
215.18117	0.6
217.08554	0.5
217.19510	1.2
219.10136	4.2
221.11702	22.6
223.09618	100.0
224.09924	2.6
229.08679	0.7
231.10138	1.2
231.21007	0.6
233.11778	2.0
237.11169	4.6
243.10129	2.4
245.11667	0.9
245.22667	3.9
247.13239	0.5
261.11151	3.6
271.13406	1.0
271.24222	0.6
275.16345	0.8
285.14584	0.6
287.16394	3.8
288.16666	0.4
289.14261	2.2
289.17932	7.9
291.15903	6.6
292.16211	0.5
303.15842	1.8
317.27911	0.4
327.19543	2.2
327.30133	0.5
330.16397	0.4
337.28809	0.6
339.30423	1.8
343.18973	0.9
343.22693	0.8
345.20551	23.7
346.20959	1.2
357.20386	1.4
359.22363	1.9
363.21774	0.6
413.26788	0.8
465.29797	0.5
491.35306	8.2
531.38409	0.5
545.39874	0.5
547.38428	0.6
549.39404	13.1
550.39551	1.0
561.39233	1.4
617.45300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.7
51.02368	1.5
53.03937	13.2
55.01867	7.0
55.05502	29.1
57.03423	10.7
61.02904	2.1
65.03928	4.6
67.05494	61.2
69.03419	24.4
69.07056	13.4
71.04984	8.8
71.19559	1.1
71.19908	2.6
73.06554	1.6
77.45564	1.2
79.05482	75.9
81.03405	100.0
81.07044	54.7
81.93255	1.5
83.04967	24.4
83.08607	18.8
85.02896	17.0
85.06534	3.6
87.04442	1.5
91.05465	72.1
92.05824	1.5
93.07033	62.5
95.04953	41.1
95.08591	24.7
97.02883	21.4
97.06502	8.4
97.10152	9.8
99.04453	7.0
99.08085	2.0
103.05475	2.4
105.04504	1.6
105.07016	48.0
107.04935	12.8
107.08575	21.0
109.02863	16.5
109.06502	7.3
109.10155	7.3
111.04424	13.6
111.08081	9.5
115.05457	3.6
116.06165	1.3
117.07002	14.6
119.04890	2.0
119.08566	30.0
121.06499	5.4
121.10119	10.4
123.04409	3.7
123.08057	5.0
123.11703	2.0
123.92252	1.2
125.09636	4.8
126.38103	1.1
127.03893	11.0
128.06212	3.6
129.06990	24.7
131.04910	2.5
131.08545	14.1
132.05533	1.2
133.06459	5.9
133.10118	15.4
135.08078	2.2
135.11671	5.3
137.09612	1.3
141.06978	2.4
142.07803	2.0
143.08560	9.7
145.06473	3.5
145.10095	13.6
147.08009	6.2
147.11667	34.0
149.05949	1.8
149.09630	4.0
153.06958	1.7
153.09088	1.6
153.12744	3.4
154.07832	1.2
155.08498	2.9
156.09387	1.4
157.06502	2.6
157.10123	9.8
159.08028	2.5
159.11679	2.9
161.05949	2.2
161.09639	4.4
161.13252	8.0
163.11201	5.3
165.12753	3.6
167.08540	2.2
169.10054	3.1
171.08066	3.4
171.11659	19.8
173.04424	8.7
173.09596	1.9
175.11189	9.9
181.10130	1.7
181.12215	3.7
183.08029	1.3
183.11746	2.3
183.13751	1.5
185.09682	1.6
185.13354	1.4
187.11089	1.7
189.11189	3.2
189.12746	9.6
191.10678	3.7
193.12230	24.0
207.11838	1.5
207.13795	26.3
207.15648	2.0
209.13354	1.7
211.13245	38.0
211.15121	2.6
225.12808	1.7
225.14862	4.0
227.12695	8.1
229.14224	1.8
249.14862	2.2
257.15329	1.8
267.15829	14.3
267.18018	1.2
273.14871	4.5
279.15897	2.2
281.17419	23.5
285.16995	2.2
287.16364	2.3
301.14410	1.7
305.17276	1.6
309.16837	1.7
319.15384	1.4
333.16824	1.4
337.16528	3.9
351.17975	2.5
355.17462	8.5
361.20306	1.2
381.24512	1.9
389.19629	1.4
393.18823	1.8
394.60815	1.4
399.25311	1.6
411.20093	8.7
455.28186	1.9
463.30634	1.9
473.28964	21.1
474.29190	2.4
491.30371	10.6
497.28873	1.8
515.29803	2.2
553.31946	2.4
557.31769	1.4
571.32007	1.9
581.30804	1.4
599.32361	3.1
617.33160	10.5
635.34155	89.9
636.34686	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	635.2854
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
57.03405	0.4
58.07010	0.3
69.07061	0.5
69.64825	2.2
69.65254	1.4
76.52245	0.4
81.07026	0.6
83.33646	0.4
93.07047	0.7
98.21442	0.7
103.08393	0.4
108.21774	0.4
121.10147	0.8
147.11662	0.4
153.04156	0.4
153.05594	0.4
165.05434	0.4
193.22903	0.4
205.08568	0.7
208.09940	0.5
210.51389	0.4
223.09650	0.5
236.13260	0.4
267.08569	0.4
345.20612	0.9
388.16919	0.8
389.17688	1.6
390.18430	0.5
401.17804	0.7
402.18521	1.3
403.19144	3.2
404.19904	1.6
405.20935	0.9
414.18887	0.5
415.15503	1.7
416.15878	1.0
416.20599	0.8
417.16724	1.9
417.21561	4.0
418.21738	2.1
419.22284	4.4
420.23169	0.5
429.16757	1.5
429.21579	0.9
430.17392	3.1
431.18051	8.3
432.19257	2.3
432.23511	1.8
433.24146	5.4
434.24460	1.2
443.18680	1.4
444.19116	2.6
445.19974	13.7
446.20737	4.1
447.21747	4.6
457.20255	0.9
458.21060	1.6
459.21915	8.2
460.22549	11.0
461.23428	8.7
470.20810	0.4
471.21887	0.6
472.22586	0.6
473.23367	1.7
474.24045	1.0
477.22504	0.8
488.21588	0.8
489.22827	1.1
491.24380	1.4
492.25589	0.5
503.20367	0.9
504.25629	0.5
505.21423	2.4
506.26755	0.5
515.24084	0.6
517.22418	1.6
518.23102	0.6
519.23187	3.9
531.23846	2.7
532.24475	1.1
533.25079	0.6
546.26245	3.1
547.27020	18.8
548.27240	1.0
575.26526	1.7
577.24249	3.2
578.25055	0.8
591.26154	3.9
605.27466	0.6
606.28278	13.3
607.29095	24.4
608.29486	1.6
617.27002	0.9
635.28546	100.0
636.28925	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
55.44000	0.2
57.07057	0.3
66.92177	0.2
67.05499	0.7
69.07079	1.1
69.07383	0.2
69.89336	1.2
79.05475	0.5
81.07043	0.9
83.00884	0.2
83.08631	0.2
91.01948	0.2
91.05469	0.6
93.07054	0.6
95.08592	1.0
105.06998	0.9
107.08582	1.0
108.08919	0.2
109.10133	0.9
109.81572	0.2
110.80013	0.2
119.08573	0.9
121.10134	1.0
123.11720	0.9
131.08539	0.3
133.10149	0.8
135.11693	1.1
136.11955	0.2
141.74571	0.2
144.08138	0.2
145.10109	0.4
147.11710	1.0
148.12022	0.4
153.05486	0.8
159.11758	0.3
161.13318	0.2
165.05449	1.7
166.05835	0.4
167.07059	0.2
169.10136	0.2
175.15059	0.2
189.16412	0.2
197.10789	0.2
201.16298	0.2
203.07025	0.2
203.17932	0.9
204.18295	0.4
205.08574	1.4
206.08878	0.2
209.10710	0.2
211.14793	0.2
221.08154	0.2
221.10808	0.3
222.11488	0.2
223.09668	1.3
223.12068	0.4
224.10030	0.2
224.13033	0.5
225.10187	0.3
225.14014	0.2
233.10739	0.3
235.12398	0.4
236.12988	0.4
237.13820	0.3
247.12466	0.3
249.10394	0.2
249.13884	0.4
257.11295	0.2
260.13080	0.2
275.11749	0.2
277.13580	0.2
287.16513	0.6
288.16791	0.5
298.13467	0.2
311.19952	0.2
314.16373	0.2
324.14944	0.3
345.20654	0.7
346.21021	0.3
356.23108	0.2
358.20966	0.4
363.21585	0.2
385.15576	0.2
387.15683	0.3
388.16721	0.4
389.17764	1.1
401.17856	0.7
402.18362	0.6
403.19174	2.4
404.20111	1.1
405.20969	1.5
415.19382	0.8
416.15985	0.5
416.20322	0.6
417.16870	0.8
417.21338	3.2
418.21896	1.7
419.22482	1.1
427.19043	0.2
429.16779	0.6
429.21341	0.5
430.17285	1.7
431.17987	5.1
431.23489	0.8
432.18579	2.1
433.24249	2.7
434.24457	0.4
443.18771	0.7
444.18777	1.0
445.19882	6.2
446.20847	2.4
447.21832	0.9
457.20062	0.6
458.20969	0.6
459.17532	1.3
459.22980	2.4
460.22870	3.0
461.23599	3.3
462.23856	0.3
469.19974	0.2
471.22015	0.3
473.19604	1.1
473.23941	0.7
473.30042	0.4
474.19675	0.5
475.21088	1.2
476.21997	0.3
477.22568	0.4
478.24017	0.3
487.21396	0.9
488.21948	2.8
489.22748	4.8
490.23526	0.5
491.24918	0.4
491.35281	0.3
492.25226	0.4
494.37634	0.6
501.23108	1.2
502.23599	0.6
503.24741	0.3
504.24902	0.6
505.22467	0.6
515.24640	1.1
517.22406	0.7
518.23499	0.7
519.20361	0.4
519.26794	0.7
532.24689	1.1
533.21173	0.9
543.24182	0.4
546.23157	0.2
547.27386	7.3
548.26660	0.6
549.39325	0.5
559.23993	0.3
575.26459	21.5
576.26837	1.7
578.25226	0.3
579.29962	0.3
591.26263	0.4
603.25830	0.8
606.25189	0.4
607.28925	1.4
617.45453	0.4
635.28564	100.0
636.28839	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	633.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.54164	0.8
55.01854	1.0
55.05501	7.1
57.03407	1.0
57.07059	4.2
62.74466	0.7
67.05491	10.8
69.03417	1.7
69.07056	28.4
71.04977	3.3
71.08627	1.4
71.78612	1.0
71.78960	1.2
73.06559	0.9
74.79649	0.8
79.05482	11.2
81.07045	25.0
83.01317	4.6
83.04979	1.9
83.08599	3.3
85.06529	41.3
91.05463	16.1
93.07028	29.3
95.04950	3.9
95.08017	1.6
95.08588	23.3
97.06564	1.7
97.10149	1.7
101.83484	0.8
103.05521	0.8
105.07013	30.7
107.04912	1.2
107.08579	34.5
109.06482	4.6
109.10135	16.2
111.08140	0.9
113.06005	1.4
116.06267	0.8
117.06978	2.8
119.08562	22.2
121.06490	4.2
121.10126	21.0
123.08048	2.9
123.11684	15.9
125.09615	3.5
129.06949	1.8
131.08546	7.1
133.06398	1.1
133.10103	18.3
135.08043	5.8
135.11668	26.0
137.05956	3.1
137.13203	1.2
139.07509	1.0
143.08546	4.3
144.09308	1.2
145.06490	0.8
145.10110	8.8
147.07994	2.8
147.11665	33.0
149.05968	1.5
149.09615	5.0
149.13237	2.9
151.03790	1.1
151.07446	1.3
151.11163	0.9
153.05464	8.6
153.12689	1.1
155.08490	1.1
157.10098	2.8
159.07962	4.2
159.11647	8.1
161.05925	2.1
161.09615	4.0
161.13245	6.7
162.06760	4.1
163.03864	2.2
163.07518	9.9
163.11125	5.2
163.14847	1.2
165.05446	35.8
167.07004	7.3
169.10040	1.2
171.08060	1.9
171.11636	2.3
172.86185	0.8
173.09575	1.4
173.13234	2.3
175.07506	2.0
175.11118	1.5
175.14784	3.3
177.05501	4.9
177.09096	13.7
177.16393	3.8
179.07027	3.0
181.08554	1.6
183.11624	1.1
184.23384	0.8
185.13258	1.4
187.07442	4.7
187.11224	1.1
187.14828	2.0
189.09068	8.8
189.16368	3.0
190.06203	0.9
191.03448	1.6
191.07037	4.9
191.10701	1.3
191.17976	2.6
193.08543	3.6
195.06429	1.1
197.13144	1.2
199.14786	2.4
201.08983	1.2
201.16374	5.5
203.06996	4.0
203.10651	1.3
203.15973	1.0
203.17928	42.9
205.08568	77.3
206.08888	2.3
207.10106	1.4
211.09601	2.3
213.16313	1.4
215.07036	1.2
215.10652	1.4
215.17859	2.2
217.08580	12.5
217.12198	1.2
219.10152	7.5
219.17371	1.4
221.08038	4.5
221.11612	9.2
223.09608	100.0
224.09932	2.0
229.08563	1.8
231.10101	4.4
231.17406	2.4
233.11633	2.2
235.09604	16.9
237.11157	3.4
243.10059	5.7
245.11711	1.8
247.09613	1.5
247.13496	1.1
249.11182	4.2
253.19456	1.4
255.13797	0.9
259.13098	1.3
261.11264	5.6
267.13632	0.8
271.13181	1.7
271.24271	2.3
273.14709	1.4
277.08817	0.9
279.12128	1.9
283.13324	1.9
285.14832	2.8
287.16321	12.1
289.14249	3.6
289.17307	1.1
291.15814	6.3
293.22803	0.9
301.14471	2.8
303.15875	3.7
305.17523	7.8
307.15271	3.8
319.15390	1.8
325.17978	2.5
327.15829	1.1
327.19647	1.3
329.17435	1.7
337.28717	3.9
339.19406	1.3
341.17529	1.0
341.21118	2.1
343.19003	10.5
343.22681	1.4
345.20535	23.9
353.21008	1.6
355.18716	1.2
355.22659	10.1
357.20605	7.4
359.22134	1.0
361.20050	5.2
363.21576	7.2
365.28171	1.0
367.29919	7.7
375.21844	2.0
407.25937	1.1
409.27234	2.7
411.25189	7.6
413.26794	25.2
425.26834	11.5
429.26230	2.3
463.28152	3.5
475.31860	2.2
481.33926	4.4
489.33594	2.0
493.32663	2.3
507.34247	1.5
511.35211	0.9
529.36658	2.0
545.40607	1.7
547.37756	17.1
565.39056	4.2
597.42950	2.2
615.43756	12.5
633.44946	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	633.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04393	2.1
50.89488	1.8
53.03928	2.2
54.71218	1.9
55.05510	12.1
55.05719	1.9
57.07057	9.0
60.05633	4.4
67.05491	18.1
69.07057	48.8
70.07429	2.1
70.53142	1.7
71.04983	3.9
72.85064	2.0
79.05472	16.9
80.48356	1.9
81.07043	77.1
83.01318	2.8
83.08610	6.7
85.06523	12.9
85.51317	2.2
91.05464	20.0
93.07030	35.8
95.04968	4.1
95.08588	46.1
97.10131	2.5
105.07014	39.2
107.08581	41.0
109.06487	6.8
109.10144	36.7
110.10484	2.5
117.06994	6.8
119.08558	38.0
121.06495	4.3
121.10131	26.0
123.08076	4.7
123.11696	30.9
131.08543	10.3
133.10112	29.7
135.08060	5.9
135.11670	29.7
137.05980	6.3
137.09671	2.5
137.13240	6.1
143.08578	5.0
145.10104	17.1
147.11664	51.4
149.09584	4.6
149.13237	5.2
151.07526	2.0
153.05432	21.9
157.10048	3.5
159.08015	5.8
159.11668	14.3
161.05954	3.6
161.13213	12.6
162.06793	4.0
163.07538	6.7
163.11130	4.5
163.14879	3.2
165.05457	100.0
167.06996	17.1
169.04955	29.6
169.06297	3.7
171.11684	3.7
173.13235	4.7
175.14818	5.9
177.05460	7.0
177.09096	15.2
177.16386	12.7
179.07013	3.9
187.07535	2.6
187.14883	4.8
189.05476	2.6
189.09183	3.3
189.16360	6.6
191.07054	3.7
191.17924	4.6
199.14716	3.0
201.16422	19.7
203.07021	5.2
203.17949	39.0
204.18373	2.1
205.08585	69.1
207.10226	2.8
207.17554	2.9
211.09689	2.4
215.17970	6.5
217.08600	3.7
219.10110	13.1
219.17380	13.3
221.08118	5.0
221.11702	19.7
223.09612	96.3
227.17867	3.4
229.08652	3.2
229.19543	6.4
235.09616	6.1
237.11237	6.1
239.09062	10.6
241.19455	3.1
243.10191	4.0
245.11610	2.9
249.11220	2.9
261.11102	2.5
269.15338	3.0
271.24158	3.6
285.14893	4.4
287.16345	39.5
291.15814	7.9
303.15878	2.5
305.17291	3.4
311.16400	5.2
313.17844	2.8
341.21091	6.0
343.18878	4.7
345.20477	27.1
347.22040	3.0
353.20984	10.0
355.22604	17.3
357.20560	21.5
359.22211	4.2
361.20044	9.5
371.22104	9.3
387.25064	2.9
393.24362	3.2
409.27792	4.1
411.25156	11.0
413.26715	7.6
425.26898	7.8
429.26404	19.7
430.26862	3.3
433.27237	5.9
441.26312	4.4
475.32013	7.4
477.33380	12.1
491.35095	4.0
493.32916	3.2
497.32437	6.2
503.31659	3.0
509.36163	4.8
545.40430	14.6
546.36633	3.1
547.37567	16.6
563.40668	2.9
565.38959	7.1
615.43652	9.1
633.44836	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	633.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58501	0.7
53.03945	1.8
55.05499	3.2
57.07067	0.8
57.74545	0.7
65.03944	0.8
67.05492	6.3
69.07058	19.9
69.85003	5.8
70.55496	0.8
71.04964	1.8
77.03902	0.7
79.05475	8.3
80.35439	0.8
81.07044	10.9
83.01325	3.0
83.08610	2.3
91.05455	11.9
93.07031	25.0
95.04943	3.0
95.08589	14.9
97.10148	1.2
105.07018	18.1
107.08578	28.6
109.06515	1.6
109.10146	8.5
111.11742	1.1
113.05952	1.2
117.07021	1.9
119.08566	19.0
121.06463	2.5
121.10120	17.5
123.04302	0.9
123.08083	1.3
123.11691	9.3
131.08548	3.5
133.10112	10.4
135.08046	3.8
135.11673	29.8
137.05983	1.0
137.13170	1.2
143.08464	1.1
145.10094	3.8
147.08046	2.7
147.11662	20.3
149.09599	3.3
149.13280	2.1
153.05405	4.8
153.12675	1.9
157.10136	2.1
159.08018	3.4
159.11673	5.9
161.13248	4.7
162.06749	3.4
163.07550	6.3
163.11153	1.7
163.14728	1.2
164.76288	0.8
165.05460	26.8
167.07014	5.5
167.10620	0.9
171.11588	1.1
173.13264	1.7
175.14816	2.0
177.09096	12.3
177.16339	2.3
179.07018	1.0
181.08499	1.4
185.13176	1.6
187.07487	2.9
187.14812	1.6
189.09157	1.3
189.12759	1.1
189.16379	2.2
191.07063	1.0
191.17911	2.5
193.08377	1.4
195.06332	0.8
199.14755	1.5
201.12733	0.9
201.16286	5.3
203.07033	1.6
203.17921	22.4
205.08569	61.5
206.08897	1.7
207.17482	2.1
211.09647	1.5
215.10617	0.9
217.08539	1.5
219.10110	2.8
220.10194	0.9
221.11620	5.6
223.09613	100.0
224.09978	3.1
227.14282	1.6
229.19505	1.3
231.17395	4.8
237.11287	1.5
243.10161	1.8
247.09572	1.1
271.24258	3.0
273.14780	1.2
273.22150	1.1
275.16486	1.1
285.14926	1.4
287.16357	15.3
289.14304	0.9
291.15781	5.3
303.15933	1.0
305.17386	1.8
325.18103	1.4
327.19391	1.3
329.17490	1.6
337.28812	1.1
341.17148	1.1
341.21082	2.0
343.18933	3.0
345.20584	34.5
346.20688	1.6
349.28897	1.4
355.22598	18.1
357.20544	7.1
361.19989	2.6
361.28784	0.9
363.21646	4.9
367.29849	10.6
368.30121	1.1
371.22232	0.9
375.21997	1.1
393.24249	1.1
395.25781	2.0
409.27090	1.9
411.25266	6.7
413.26834	43.6
414.27258	1.5
425.26813	12.6
429.26279	1.1
461.30487	1.0
463.28293	5.3
477.33868	1.1
481.33414	6.7
529.37048	1.9
547.37799	12.0
565.38690	1.3
597.42712	3.9
615.44031	20.9
616.44153	1.8
633.44421	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	633.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05496	11.2
57.07054	3.9
65.03920	1.3
67.05499	16.1
69.03377	1.5
69.07057	25.9
70.98367	3.2
71.04980	1.9
77.44139	1.0
79.05481	14.7
81.07046	49.4
83.01328	2.6
83.04978	2.2
83.08616	7.5
88.02203	1.6
91.05464	25.5
91.32156	1.0
93.07036	42.3
94.07351	1.6
95.04969	3.1
95.07994	2.6
95.08595	49.0
96.08930	1.2
97.06479	1.9
97.10155	3.8
105.07015	56.8
106.07342	1.5
107.08582	50.8
107.88744	1.2
108.08959	1.6
109.03015	1.0
109.06519	2.1
109.10141	35.9
111.08068	1.4
111.11707	1.7
117.07047	5.4
119.08560	45.0
121.06483	2.2
121.10129	45.7
122.10477	3.2
123.08043	2.1
123.11691	38.3
129.06996	1.2
131.08545	14.4
133.10107	32.3
135.08055	3.8
135.11679	31.8
137.05855	1.7
137.09573	1.4
137.13269	5.0
143.08498	2.9
145.10124	20.4
147.11670	59.6
149.09665	2.8
149.13203	9.2
151.11269	2.6
153.05440	8.8
156.09348	1.4
157.10103	2.7
159.08054	4.9
159.11681	12.5
160.12335	1.9
161.09688	1.1
161.13243	13.8
162.06712	2.2
163.07506	6.3
163.11208	3.8
163.14810	8.0
165.05455	41.1
165.06792	2.4
165.09157	1.4
167.07019	10.5
171.11743	1.9
173.09587	1.3
173.13274	7.8
175.14767	6.5
177.05482	1.2
177.09106	9.3
177.16376	2.1
185.13297	2.0
187.07530	2.6
187.14786	14.7
189.09146	1.3
189.16335	5.2
191.06995	2.5
191.17949	2.2
193.08606	3.0
197.13403	1.1
199.14798	1.5
201.16351	15.2
203.06946	1.9
203.17938	37.6
205.08578	54.5
206.08929	1.5
211.09454	2.4
215.17889	8.5
219.10205	2.7
221.08194	1.2
221.11705	5.7
223.09625	93.0
229.19537	2.1
231.10265	1.6
235.09669	3.0
243.10178	2.4
243.71678	1.3
267.33029	1.1
269.22696	2.6
271.13290	2.5
271.24182	31.5
275.16425	2.7
285.14966	2.2
287.16364	25.3
289.14392	2.0
289.25192	5.5
291.15842	5.4
303.15805	1.2
327.19522	3.3
341.21063	1.3
343.15021	1.1
343.19095	4.4
345.20560	55.2
353.21002	1.8
355.22687	4.8
357.20554	10.8
373.23746	8.0
394.27234	1.2
395.16742	1.3
411.25403	2.8
413.26901	7.8
443.27841	2.8
444.67850	1.2
493.32831	8.8
495.34641	5.2
511.34406	5.8
517.40283	1.8
547.37775	4.3
562.36646	2.0
563.41040	6.8
564.39178	1.2
565.38916	4.8
615.34930	2.0
615.44080	25.9
633.45056	100.0
634.44983	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	633.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.10107	0.7
55.01870	0.9
55.05500	4.3
55.65159	0.7
56.46028	0.7
57.07053	2.6
59.09149	0.7
67.05190	0.9
67.05493	11.1
69.07058	19.8
70.24251	3.0
71.04971	2.0
71.08629	0.7
77.03854	0.7
79.05487	8.5
81.07049	21.9
83.01340	2.6
83.08619	4.3
91.05466	14.6
93.07033	24.9
95.04935	3.4
95.08004	1.5
95.08593	23.4
97.06495	0.9
97.10136	2.1
105.07017	27.5
107.08582	30.6
107.09329	1.6
109.06480	2.4
109.09408	1.2
109.10142	22.4
109.99969	0.8
110.51226	0.6
111.11629	0.8
117.06986	2.3
119.08564	20.4
121.06479	3.4
121.10128	14.2
123.08054	1.5
123.11692	16.0
127.03957	0.8
129.06975	1.2
131.08557	4.0
133.10115	15.3
135.08083	3.8
135.11674	22.8
136.11961	1.1
137.05992	1.1
137.13216	1.6
139.03865	0.9
143.08545	1.5
145.10103	6.2
147.11662	37.5
148.12018	0.8
149.05972	1.0
149.09593	3.4
149.13304	1.5
151.07489	1.1
153.05460	7.7
153.12828	0.8
155.08456	1.0
157.10126	1.1
159.08014	5.9
159.11687	4.0
161.09654	1.2
161.13242	7.5
162.06737	3.6
162.13589	0.7
163.07503	7.8
163.11171	1.7
163.14732	1.2
165.05460	37.4
167.07031	6.1
169.05038	1.5
171.11644	1.7
173.09535	1.4
173.13245	1.6
175.07483	1.1
175.11081	1.1
175.14810	2.6
177.05418	1.4
177.09091	12.1
177.16385	2.1
179.06906	1.2
185.13159	1.0
187.07449	3.4
187.14781	2.1
189.16325	2.1
191.07018	1.7
193.08623	1.3
201.16402	6.5
203.07080	1.1
203.17935	37.9
205.08577	62.5
211.09560	1.3
215.17957	1.3
219.10161	2.2
219.17375	1.2
221.08260	1.2
221.11681	7.9
223.09618	100.0
224.09920	1.4
229.08669	1.3
231.10077	1.0
237.11285	1.1
245.11629	1.3
261.11023	1.2
271.13342	0.9
271.24130	2.8
273.14822	0.9
285.14780	1.0
287.13129	1.0
287.16379	18.6
289.14233	1.0
291.15945	4.5
303.15680	1.7
305.17456	19.9
325.17862	1.0
327.19537	1.7
337.21490	1.0
337.28308	1.0
341.17410	0.9
343.18906	4.1
343.22638	3.2
345.20554	38.2
346.20883	0.9
353.21030	1.6
355.22659	7.1
357.20654	6.2
359.22104	0.9
361.20020	2.0
363.21600	17.6
373.23709	7.7
375.21747	4.1
409.27643	1.2
411.25302	3.2
413.21643	1.6
413.26825	26.3
419.29114	1.2
425.26825	3.7
429.26123	3.8
431.27905	19.5
443.27902	1.7
475.31796	1.4
477.33313	1.4
481.33127	2.4
493.32947	1.5
495.34061	1.4
499.34177	4.5
517.40259	1.7
545.39313	1.0
547.37720	7.0
563.39459	1.5
565.39056	4.6
589.38135	1.6
597.43262	1.3
613.02173	0.8
615.43866	7.3
633.45441	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	633.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01844	1.2
55.05500	6.7
57.07050	4.2
65.03921	1.9
67.05496	17.8
69.03394	1.7
69.07057	25.5
71.04985	2.0
71.08607	2.2
71.81898	1.0
79.05473	14.6
81.07045	33.7
82.07379	0.9
83.01334	2.4
83.04970	2.0
83.08607	4.7
91.05466	26.9
93.07026	30.6
94.07336	1.3
95.04955	3.4
95.08595	34.5
97.06491	2.8
97.10178	2.4
105.07015	53.3
106.07320	1.1
107.08575	40.4
109.06484	3.1
109.10142	40.0
111.08050	2.1
111.11683	1.8
113.06003	1.2
117.06986	3.7
119.08568	48.8
121.06513	3.5
121.10127	28.4
122.10482	2.3
123.08054	3.7
123.11685	36.3
125.09570	1.0
127.03912	2.0
129.06964	1.2
131.08543	8.8
133.10109	29.4
135.08037	2.5
135.11667	26.9
137.05978	3.6
137.09569	1.1
137.13223	2.3
143.08516	2.4
145.10088	11.0
146.10461	1.4
147.11662	75.9
148.11975	1.4
149.05937	2.1
149.09589	2.0
149.13216	4.3
151.07541	1.7
152.27599	1.0
153.05450	11.5
157.10100	2.6
159.08029	3.4
159.11691	9.7
161.05965	1.1
161.09563	1.2
161.13229	12.5
162.06715	1.8
163.03835	1.1
163.07509	5.5
163.11180	3.2
163.14822	2.8
164.11534	1.3
165.05453	100.0
165.13000	1.1
166.05788	1.9
167.05707	1.0
167.07007	17.9
171.11713	1.4
173.09660	1.1
173.13223	3.2
175.14781	5.2
177.05467	4.2
177.09081	5.5
177.16307	2.8
179.06976	4.8
181.08557	1.2
183.06474	1.5
186.27556	1.0
187.07516	2.6
187.11110	1.1
187.14795	5.8
189.05493	1.1
189.09068	2.3
189.16383	3.9
191.06990	3.9
191.17926	4.3
193.08653	2.1
201.16353	10.3
203.07001	4.5
203.10683	1.1
203.17923	67.5
205.08568	39.1
207.10161	2.2
207.17383	2.5
215.10652	1.5
215.17949	5.8
217.08533	2.6
219.10178	5.0
219.17532	2.1
221.11656	6.1
221.15321	1.1
223.09612	45.2
224.09969	1.6
229.08553	2.2
231.10211	2.9
231.13899	1.2
231.21129	0.9
233.11617	3.0
235.09685	2.9
243.10086	3.3
245.11740	1.6
259.13129	1.1
261.11075	1.8
269.15231	1.5
271.13187	2.7
271.24161	11.3
273.14667	1.2
275.16400	3.5
283.13281	1.5
285.14734	4.2
287.16370	46.5
288.16653	1.3
289.14038	1.6
289.25278	3.4
291.15836	2.1
299.16116	1.2
303.15875	2.2
305.17496	3.3
311.16306	6.7
327.19543	2.1
329.83450	1.0
339.19086	1.1
341.17535	1.4
341.21051	3.5
343.18829	3.3
343.22751	2.5
345.20572	44.6
346.20764	1.5
353.20999	4.3
355.22678	16.2
357.20596	30.9
358.20807	1.0
361.20105	2.5
363.21735	10.1
375.21664	1.8
413.26682	4.7
423.28851	3.6
425.27029	10.4
431.27652	2.3
433.27133	7.8
463.28577	1.5
470.35559	1.5
471.32483	1.8
475.32214	7.9
476.32428	2.2
477.33606	9.9
489.33380	1.1
493.33121	2.5
503.31485	2.4
517.40039	1.5
545.40546	10.5
546.36462	4.7
547.37738	13.4
559.37469	3.2
563.41016	1.2
565.38690	2.4
571.37146	1.3
580.36682	2.1
615.44031	6.7
633.45325	19.9
634.45770	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	0.9
55.05503	3.7
57.03426	1.9
57.07069	2.7
57.46363	0.5
59.04977	0.8
60.05633	0.5
65.03927	0.8
67.05492	8.0
69.03422	1.0
69.07058	18.9
71.04983	2.8
71.08614	0.8
71.81721	0.8
79.05470	3.0
81.03384	0.6
81.07048	11.5
81.07486	1.0
83.01328	4.2
83.04956	2.5
83.08599	1.5
85.06531	100.0
87.24462	0.5
91.05451	4.7
93.07030	7.7
95.04958	2.2
95.08593	10.0
97.06520	1.1
97.10161	1.2
105.07011	9.2
106.07316	0.5
107.05004	0.6
107.08572	9.6
108.08963	0.5
109.06499	2.4
109.10141	9.7
110.66327	0.5
111.08025	3.0
117.06979	1.5
119.08570	6.2
121.06487	2.2
121.10124	5.0
123.04433	0.9
123.08051	1.2
123.11685	4.0
125.09605	3.3
127.11215	0.8
128.06180	0.7
129.06941	1.1
131.08565	4.6
133.06520	0.5
133.10104	6.5
135.08047	3.3
135.11646	4.6
137.05943	3.0
137.09605	0.6
137.13266	1.0
137.95370	0.5
139.03911	1.0
141.05531	0.5
141.17172	0.4
143.08498	2.6
143.10646	0.5
145.06482	1.0
145.10133	4.5
147.08020	1.1
147.11658	5.0
149.05972	1.6
149.09625	1.9
149.13249	1.5
151.03888	0.8
151.11261	0.6
153.05461	5.0
153.12726	0.9
155.08487	0.6
155.10631	1.1
157.10107	1.6
159.08084	2.3
159.11676	2.8
161.05995	1.8
161.09605	3.7
161.13243	1.8
162.06760	1.5
162.63756	0.5
163.03860	1.0
163.07512	3.5
163.11223	1.1
164.04691	0.8
165.05461	15.3
165.09149	1.0
167.07010	3.6
169.04938	16.9
169.10153	0.7
171.08025	1.4
171.11700	1.2
173.09695	1.2
173.13332	1.6
174.06805	0.5
175.07576	2.6
175.11237	0.6
175.14822	1.2
176.08318	0.6
177.05464	12.5
177.09096	5.6
177.16351	0.9
179.07071	1.7
181.04950	0.7
185.09512	0.8
185.13193	1.0
186.14096	0.6
187.07558	1.3
187.14832	1.1
189.05443	0.6
189.09084	8.8
189.16301	1.0
191.07005	2.7
193.05016	1.9
193.08650	1.6
199.07440	0.5
199.14864	1.3
201.09131	1.2
201.16382	6.0
203.06982	4.6
203.10600	0.9
203.17918	5.1
204.07793	1.4
205.08574	23.9
207.06450	0.7
207.10217	1.5
211.09612	1.0
213.09044	0.9
214.09843	0.6
215.07195	0.8
215.10677	1.5
215.17862	2.5
217.08568	9.6
217.10468	0.6
217.12164	0.6
219.10121	6.6
219.17502	0.8
221.08041	2.9
221.11647	4.6
223.09615	22.4
225.09106	0.7
228.07640	0.7
229.08678	1.4
229.12202	0.6
229.19493	5.0
231.10150	3.7
233.08118	0.8
233.11610	3.8
235.09621	18.9
236.09996	0.6
237.11089	2.9
239.09111	6.2
241.12180	0.7
241.19530	1.7
243.10143	9.3
243.21259	0.6
245.11710	1.4
247.09665	0.7
249.11206	4.3
255.10036	0.7
255.13779	0.8
255.21251	0.6
257.11734	1.6
259.09726	0.7
259.13321	2.4
261.11130	5.5
263.12860	0.8
268.09366	1.0
269.11807	0.7
271.13434	0.7
271.24133	0.8
273.14929	1.4
275.12845	0.7
277.10654	0.6
279.12213	0.6
283.13181	2.4
285.14917	1.7
287.13049	1.0
287.16449	2.5
289.14459	1.2
291.15930	2.3
297.14877	0.7
299.16360	2.6
301.14340	3.7
303.15762	2.4
315.15723	0.6
319.15454	1.8
337.29184	0.6
339.19370	0.6
341.21262	1.0
343.19000	2.4
343.22754	0.8
345.20447	4.2
357.20651	1.2
359.18198	0.7
359.22415	0.6
361.19962	5.0
371.22110	0.6
375.21802	0.9
377.19666	0.7
411.25208	1.8
413.26999	1.6
425.26956	1.6
429.26532	1.7
463.27377	0.7
489.33664	2.0
497.32852	0.6
507.34491	1.4
545.39996	2.1
547.37683	4.0
563.41278	0.8
565.39325	2.5
615.43854	2.1
633.45306	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	633.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95880	0.1
55.01861	0.2
61.01141	0.3
67.05511	0.1
68.99791	0.4
69.03429	0.4
71.77748	0.2
72.04513	0.9
78.03775	0.8
81.07055	0.2
85.02901	0.3
86.09695	0.1
88.02190	0.6
91.05470	0.5
95.04947	0.3
95.08592	0.2
97.02880	0.5
99.05547	0.2
102.03770	0.8
103.05447	0.1
105.07026	2.4
107.04921	0.2
107.08533	0.2
109.06549	0.2
116.30851	0.1
117.07033	0.2
119.04916	0.3
119.08555	0.8
121.06469	0.2
123.04424	2.9
123.08064	0.1
129.06989	2.7
130.08495	0.1
131.06374	0.6
131.08556	0.3
132.04750	0.9
137.02306	0.6
137.05952	1.6
142.08621	0.4
147.04364	0.2
147.08012	3.5
149.06009	1.0
149.07423	5.9
151.03918	0.4
151.07504	0.7
157.06494	0.7
159.05823	0.7
160.05177	3.1
161.05954	0.3
163.03818	0.3
163.07556	0.4
164.04681	0.4
165.05414	0.3
165.09126	1.3
175.07526	26.6
176.07899	0.4
178.06247	0.5
179.06976	0.4
183.02946	0.1
184.09682	0.3
191.03404	0.4
192.03778	0.2
193.08583	100.0
194.08862	0.9
233.07988	0.9
243.11554	0.1
249.07661	0.2
261.12650	7.5
262.12848	0.1
267.06390	0.2
279.13797	0.4
297.07385	0.2
301.07092	0.2
341.15219	0.2
343.08157	0.3
344.08221	0.2
351.15726	0.2
355.13824	7.5
387.18082	0.2
503.20538	2.3
615.25854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01854	1.1
55.05246	0.5
55.05502	7.8
57.03427	12.0
57.07057	0.8
61.02914	1.5
65.03915	1.0
67.05493	29.6
68.05832	0.4
69.03419	1.0
69.07056	8.8
71.01346	2.5
71.04975	2.7
73.02890	0.7
77.03904	0.5
79.05479	26.3
80.05811	0.2
81.03403	5.8
81.07044	14.6
83.04965	6.2
83.08599	3.5
85.02886	2.7
85.06528	2.2
91.03944	0.9
91.05463	10.4
92.66450	0.2
93.07027	32.9
94.07347	0.3
95.04947	4.0
95.08593	4.6
97.02892	0.8
97.06512	8.3
97.10153	7.7
97.10639	0.2
99.04461	0.6
99.08073	1.5
100.57516	0.2
105.04475	0.3
105.07007	3.3
107.04932	1.5
107.08575	23.6
108.08904	0.5
109.06502	0.9
109.10134	4.8
111.04376	0.4
111.08062	2.0
111.11703	0.4
113.05969	0.2
115.05457	0.3
117.06994	3.5
119.08552	5.7
121.06487	1.0
121.10123	5.7
123.08030	0.4
125.05946	0.4
125.09612	1.7
127.03901	0.4
127.07507	0.3
129.07010	0.5
130.07808	0.4
131.08586	0.9
133.10109	3.2
135.08006	0.7
135.11670	40.7
136.12001	0.7
137.09579	1.6
143.08554	0.7
145.10091	7.1
147.11667	1.4
149.09601	0.5
151.11172	0.4
153.12668	1.4
157.10115	0.5
159.11711	0.3
163.11154	6.0
165.12822	0.4
173.11757	0.4
173.13188	0.3
175.11151	0.7
181.12195	8.2
189.11191	0.2
193.12242	1.1
199.13263	1.6
207.13852	0.3
211.11563	0.3
211.13231	1.5
227.12790	0.3
229.14378	0.8
234.13303	0.3
247.90790	0.3
255.15874	56.8
256.16278	1.0
267.15903	1.1
269.17453	1.1
277.21658	0.5
281.17499	0.7
285.16907	2.1
351.25424	0.4
361.23575	0.3
435.27362	100.0
436.27719	3.6
439.26996	1.1
461.28973	0.8
479.29941	2.9
526.17358	0.3
543.36200	0.4
561.37811	0.6
579.30841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05493	1.2
57.03413	1.4
57.07070	6.9
67.05503	2.4
69.07059	8.5
71.81575	0.4
71.81964	0.7
79.05489	2.2
81.07046	7.7
83.01322	3.3
83.08603	1.3
85.06541	0.6
91.05475	3.2
93.07028	4.8
95.04967	0.5
95.08592	6.4
97.10141	0.5
105.07011	5.7
107.07915	0.6
107.08585	7.5
107.45628	0.4
109.02899	0.6
109.06491	1.5
109.10132	3.8
115.05435	0.4
117.06995	0.6
119.08570	3.8
120.67768	0.4
121.06478	1.8
121.10133	4.7
123.08092	0.7
123.11691	16.4
127.03905	0.6
130.07768	0.5
131.08562	2.3
131.09355	0.4
133.10114	3.9
133.21808	0.4
134.44705	0.4
135.08032	3.4
135.11684	6.7
137.05957	1.4
137.09625	0.5
137.13193	0.6
139.03923	0.9
139.07465	1.1
141.82103	0.4
143.08578	1.0
144.74959	0.4
145.10123	4.2
146.10596	0.4
147.08061	0.4
147.11676	7.2
149.05957	1.8
149.09566	1.8
149.13225	1.2
153.05435	4.7
155.08536	0.9
157.10065	0.9
158.07335	0.4
159.08075	0.6
159.11642	1.0
161.05992	0.6
161.13248	4.4
162.06699	1.5
163.07506	4.8
163.11150	1.4
163.14774	1.0
165.05463	24.4
167.07019	39.1
169.04909	0.5
173.09581	3.0
173.13255	0.7
175.07495	0.6
175.14835	1.1
176.08331	1.9
177.05566	2.1
177.09087	11.5
177.16328	2.1
179.03487	0.4
181.08521	0.8
183.06490	0.4
185.11014	0.4
189.16341	1.9
191.07030	1.6
191.10643	6.1
191.17973	0.5
197.13269	0.9
199.14798	1.2
201.09090	4.8
201.16365	4.7
203.17929	16.6
204.07831	1.4
205.08560	3.7
205.19452	1.3
207.10072	0.5
215.10852	0.4
215.17883	1.0
217.19464	0.7
219.10139	63.1
220.10442	0.7
221.11719	16.2
223.09628	1.7
227.88428	0.4
231.10072	0.5
233.11726	1.2
237.11186	100.0
238.11505	1.4
243.10146	0.6
243.21152	0.6
245.11800	0.6
245.22588	1.9
251.12717	0.8
253.19295	0.6
271.24149	0.7
275.12823	1.3
275.16293	0.4
285.14767	0.5
287.16409	3.8
289.17957	10.9
303.15634	0.6
305.17438	5.9
317.17444	0.8
325.28940	0.6
327.30600	0.6
337.28824	0.7
339.30408	1.3
341.20892	1.3
343.22665	1.6
355.22574	0.5
357.20547	0.7
359.22144	9.9
371.22049	1.0
373.23819	0.5
402.17783	0.4
411.25256	0.6
427.28705	0.9
487.32446	0.5
491.35135	12.0
518.18652	0.5
545.40405	0.8
547.41187	0.9
563.41064	8.3
575.40558	1.3
631.47107	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	630.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36099	1.5
53.03933	6.2
55.01642	1.5
55.01868	20.3
55.05243	2.8
55.05502	45.3
55.52239	1.4
57.03431	22.8
57.07071	8.8
59.04987	2.7
65.03918	3.5
67.05496	100.0
69.03429	7.7
69.07059	28.4
70.04197	1.9
71.01344	4.2
71.04975	8.8
71.08620	24.4
71.80871	2.4
73.02895	6.9
77.03892	2.3
79.05486	71.3
80.05807	1.6
80.06267	2.6
81.02950	2.7
81.03406	44.2
81.07047	89.5
82.04182	5.5
83.04977	30.1
83.08118	1.8
83.08609	31.0
84.05752	1.4
84.82269	1.4
85.02898	12.1
85.06514	6.0
91.05470	75.2
93.07034	70.5
94.07848	1.9
95.04958	39.0
95.08017	3.0
95.08596	48.0
95.09206	2.5
97.02866	4.4
97.06519	20.5
97.09573	2.4
97.10149	18.6
98.07324	3.5
99.08074	24.6
102.22308	1.5
105.06346	3.1
105.07018	49.9
107.04939	15.4
107.08581	41.3
108.08874	1.7
109.06527	9.8
109.10139	25.8
111.04430	2.9
111.08079	15.4
113.05992	3.0
113.09624	2.2
115.05412	1.9
116.04702	6.1
117.07020	17.8
119.08562	37.9
121.06474	6.3
121.10116	23.2
123.08060	9.6
123.11683	6.1
125.05948	3.0
125.09628	16.5
127.11196	4.2
129.05467	18.9
129.06969	13.0
131.08545	23.3
133.06491	3.7
133.10130	31.0
135.08017	6.3
135.11674	12.8
137.09647	8.4
139.11185	10.6
143.06995	5.0
143.08553	2.5
143.10638	2.0
145.10100	12.9
147.08037	5.6
147.11659	20.0
149.09596	9.4
149.13240	13.1
151.11169	25.3
153.09050	2.5
153.12698	1.9
155.10547	1.8
157.08600	8.4
157.10115	13.2
159.11670	8.4
161.09601	2.3
161.13217	7.9
163.11192	14.2
163.14854	1.9
165.12697	6.1
167.14281	2.2
168.50223	1.7
171.06514	5.1
171.10220	2.8
171.11629	3.3
173.09554	1.9
173.11710	10.0
173.13229	3.9
175.11124	11.4
175.14793	4.0
177.12708	4.5
179.14288	6.5
185.08116	2.8
185.11702	1.6
185.13231	2.6
189.11226	7.8
193.10558	2.6
193.12228	30.4
195.13802	6.9
197.13141	1.6
199.11394	1.5
199.13313	6.7
209.11766	3.9
211.13261	33.3
227.12741	14.1
229.14282	8.2
241.19528	3.8
251.16330	1.9
255.15918	3.9
259.20523	6.7
267.15887	18.4
269.17480	19.5
271.05988	2.5
275.20010	2.3
277.21609	18.3
283.15350	4.0
285.16879	19.6
293.21039	5.1
295.22678	2.0
301.16449	45.5
323.18893	2.0
351.25253	36.0
365.23041	3.8
367.24826	2.5
383.24109	7.2
393.25879	2.0
399.24026	1.9
423.27246	4.9
450.97806	1.8
461.28601	2.6
463.30313	7.0
478.29263	3.6
479.29865	4.8
489.35666	3.1
495.29489	55.1
543.36609	4.3
559.36481	1.9
561.37994	7.4
577.37225	8.7
595.38110	3.1
630.41711	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	629.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01863	4.8
55.05233	1.4
55.05502	25.4
57.02982	0.7
57.03429	9.5
57.07072	7.7
59.05006	1.1
63.12817	0.7
65.03931	3.5
65.12422	0.7
66.04750	0.9
66.27094	0.8
67.05493	79.9
68.05815	1.7
69.03421	1.4
69.07056	23.9
71.04992	3.7
71.08618	51.1
71.42222	1.4
74.09708	0.9
77.03926	1.6
79.05481	73.8
81.03413	6.4
81.07044	82.0
82.07362	1.7
83.04975	8.6
83.08601	16.0
85.06521	4.6
85.10187	1.1
89.06025	1.2
91.05466	47.9
92.05809	1.3
93.07029	97.0
94.07385	1.8
95.04958	13.1
95.08592	61.0
96.08926	1.0
97.06528	9.0
97.10152	5.2
99.07432	1.8
99.08077	30.2
105.04530	1.2
105.07014	41.0
106.07350	1.3
107.04932	9.6
107.08573	48.5
108.08914	1.3
109.06498	5.9
109.10140	21.6
111.07405	0.7
111.08056	4.1
111.11678	0.9
113.09639	3.8
115.05440	1.4
117.07012	11.7
119.08572	29.1
121.06519	2.4
121.10125	37.3
122.10429	1.6
123.08064	3.8
123.11702	8.4
125.09645	1.7
127.11205	2.2
128.06277	0.8
129.05466	1.9
129.06998	6.0
130.07771	1.4
131.08545	19.4
133.06461	2.0
133.10110	20.1
134.10475	1.1
135.08041	2.7
135.11673	35.9
137.09567	3.7
137.13223	4.0
139.07538	1.0
139.11169	1.1
141.06952	1.5
141.09090	3.1
142.07759	1.4
143.08543	8.5
145.10094	16.5
146.10435	0.8
147.08060	1.2
147.11662	15.7
147.12729	1.4
149.09619	4.3
149.13242	15.0
151.11154	14.7
151.14877	1.1
153.12730	1.6
153.19278	0.7
155.08525	2.3
157.10117	7.1
159.11665	10.6
161.09662	1.6
161.13226	16.4
163.11174	6.5
163.14796	6.5
165.05466	3.6
165.12750	2.0
165.16374	0.9
167.10660	2.2
169.10109	2.4
171.11731	4.4
171.13069	0.8
173.11696	2.4
173.13268	7.8
175.11151	1.2
175.14780	4.6
177.12709	3.9
177.16316	4.1
179.14282	73.2
180.14600	1.1
181.10098	0.9
181.12204	1.0
183.11707	1.7
185.13181	4.0
187.14828	4.6
189.12718	2.8
189.16388	1.8
191.14383	1.1
195.11746	1.4
195.13785	1.9
197.13245	2.6
199.14833	3.0
201.16283	3.7
203.17943	2.8
205.08580	0.9
207.11905	0.9
213.16354	1.4
215.17987	1.2
217.19429	1.0
219.10081	1.9
219.17381	1.7
219.20934	1.0
221.15343	2.7
225.16351	1.2
233.22749	1.6
235.16965	3.0
237.11200	2.3
241.19473	3.1
243.21046	13.8
243.67615	0.7
257.19012	1.1
259.20483	4.5
261.22113	13.1
275.20044	2.9
276.20346	1.3
277.21588	60.6
278.21851	1.6
287.16443	1.7
287.23889	0.9
295.22650	6.8
298.40436	0.8
299.23849	1.4
317.24716	11.5
335.25754	56.7
336.26172	3.7
350.24252	0.9
351.25238	52.9
352.25519	1.4
357.20584	2.4
437.34045	1.6
439.35666	2.7
457.36301	1.6
503.37097	1.6
513.39435	6.1
515.37323	5.6
519.42004	1.5
529.38611	3.5
531.40283	1.5
537.42804	2.7
555.43835	1.3
559.37506	0.9
611.46588	100.0
612.46649	4.4
629.47620	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01864	6.8
55.05508	31.7
57.03435	5.6
57.07072	13.9
58.07393	1.1
59.04996	2.3
60.96181	1.3
65.03938	2.9
67.05499	70.5
69.03408	1.4
69.07063	31.8
71.04979	4.6
71.08624	24.8
75.04460	2.0
79.05484	37.4
81.03405	4.2
81.07048	66.7
83.04972	4.6
83.08610	17.9
85.06551	5.4
85.10179	5.1
87.04483	1.2
88.39774	1.1
89.06020	4.7
89.51011	0.9
91.05473	34.4
93.06423	1.3
93.07034	47.7
95.04955	9.0
95.08598	53.0
97.06513	5.2
97.10153	9.0
98.20621	1.7
99.08079	13.7
103.05420	1.4
105.07022	40.9
106.07418	1.4
107.04971	2.1
107.08582	31.8
108.08894	1.4
109.06517	5.7
109.10143	22.8
110.10432	1.3
111.08061	6.1
113.09644	4.4
115.05475	1.6
117.07002	17.0
119.08573	36.0
121.06517	3.1
121.10129	21.1
121.10973	1.7
123.08075	3.8
123.11702	11.0
125.09622	4.8
127.11169	1.3
129.06979	11.7
130.07756	1.3
131.08551	29.6
133.08549	2.7
133.10124	23.1
135.08025	3.0
135.10704	2.1
135.11678	15.5
137.09622	3.0
137.13222	2.9
139.11147	4.9
141.06987	3.0
141.12677	1.4
143.08531	13.4
145.10106	24.9
147.08070	1.6
147.11667	16.2
149.09569	1.6
149.13278	8.7
151.11176	3.5
151.14793	1.1
153.09106	1.1
153.12749	1.2
155.08543	6.2
157.10118	14.9
159.11674	14.7
161.09671	1.6
161.13237	13.6
163.11179	4.3
163.14799	5.2
165.05475	1.5
165.12750	3.3
169.10118	7.2
169.12315	1.1
171.11694	8.2
173.09590	1.6
173.11810	2.2
173.13275	10.7
175.11165	1.6
175.14815	8.0
177.11339	1.2
177.12750	2.0
177.16492	2.4
179.14297	3.0
181.10141	3.2
183.11679	7.7
185.13243	8.3
187.13350	2.0
187.14842	8.7
189.12823	1.7
189.16388	3.2
191.14333	1.4
195.11734	3.3
197.13312	4.4
199.14793	8.9
201.16383	7.8
203.18013	3.6
209.13252	3.2
209.15250	1.4
211.14857	4.5
213.16447	4.0
215.17969	3.0
217.15965	1.7
217.19614	1.3
219.17458	1.7
219.21024	1.4
223.14862	3.5
225.16438	4.2
227.12714	2.3
227.17918	3.2
229.19652	2.3
229.58418	1.5
231.21114	2.0
235.20482	1.7
237.16432	1.8
241.19525	1.6
243.21211	3.1
255.21133	2.6
257.22919	1.5
259.20639	1.5
261.22156	4.6
265.21646	5.0
267.20883	1.6
271.20575	2.1
273.22147	3.3
275.20093	3.2
276.20523	1.4
277.21628	6.9
281.22717	1.4
285.22308	1.6
287.23752	1.3
291.23325	2.7
297.22101	1.4
299.23795	2.0
303.23230	1.6
311.23703	1.8
313.25290	1.3
315.23267	1.4
316.64600	1.2
317.24878	3.1
325.25150	1.6
327.23273	1.3
331.26431	1.4
333.24530	1.5
335.25888	4.8
345.31381	1.5
349.24127	1.9
351.25497	3.6
357.31647	1.5
383.33344	1.8
391.28848	1.2
407.33020	1.6
423.32547	4.8
425.34100	2.8
437.34140	2.5
439.35794	4.2
441.33575	1.5
455.35342	1.8
457.37216	2.2
497.36368	3.9
499.37906	4.5
501.40268	1.7
503.37497	2.4
511.37494	1.8
513.39575	6.7
515.37286	33.0
516.37750	2.0
517.38910	4.5
519.41913	7.7
529.38763	14.8
531.40131	3.1
537.43024	11.6
543.40497	4.9
555.44232	10.6
593.45856	2.7
601.48303	3.0
601.63605	1.3
611.46643	65.5
612.46838	4.1
629.47705	100.0
630.47998	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	629.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.6
55.01852	0.7
55.05498	4.3
57.03409	2.3
57.07069	12.7
59.67376	0.5
65.03920	0.7
67.05496	7.6
69.03404	1.2
69.07062	22.2
70.41009	1.1
70.41372	2.1
71.01304	0.9
79.05481	8.7
81.07044	16.7
83.01333	2.6
83.04958	0.8
83.08575	2.1
85.06511	1.8
88.45862	0.5
91.04942	0.6
91.05466	13.5
93.07034	28.7
95.04951	2.8
95.08031	0.9
95.08596	15.2
97.10121	1.4
105.07021	24.5
107.04919	0.7
107.08582	27.9
109.06458	2.6
109.10152	13.9
111.11653	0.9
113.76072	0.6
117.07023	3.2
119.08563	21.4
121.06493	1.3
121.10130	11.1
123.08028	1.3
123.10893	0.7
123.11696	9.1
127.03892	0.8
127.07550	0.9
130.07774	1.2
131.08560	5.4
133.10114	12.8
135.08032	4.2
135.11678	21.8
137.05939	2.8
137.09608	0.9
137.13202	1.5
139.03862	1.5
139.07492	0.7
143.08525	2.0
145.06380	0.6
145.10094	10.0
147.08075	0.7
147.11671	35.1
149.05940	1.4
149.09593	2.2
149.13223	2.0
151.07533	0.7
153.05466	4.8
155.08507	1.2
157.10092	2.1
159.08002	0.9
159.11688	7.5
161.05888	0.8
161.09598	0.7
161.13239	5.0
162.06752	1.1
163.07516	3.8
163.11139	2.3
163.14781	1.0
165.05463	45.7
166.05760	0.9
167.07021	12.1
171.07922	0.6
171.11688	1.1
173.09602	3.7
173.13246	1.2
175.07513	1.0
175.11240	0.8
175.14783	2.5
176.08286	1.9
177.05467	1.7
177.09088	11.6
177.16331	1.3
179.07088	0.9
181.10123	0.7
185.13202	1.0
187.14746	1.1
189.16383	2.2
190.06158	0.7
191.07053	1.1
191.10643	8.0
191.17944	1.7
193.08575	1.0
197.13222	0.7
199.14784	1.4
201.09099	5.1
201.16376	17.1
203.07095	0.7
203.10765	0.6
203.17931	22.9
205.08626	0.6
207.10191	1.4
207.17409	0.7
211.14711	0.6
213.16368	0.9
215.17987	1.0
217.08553	1.4
219.10144	79.8
220.10426	1.5
221.11702	8.9
225.11179	1.5
229.19495	0.7
233.11647	0.7
235.09677	1.1
237.11186	100.0
238.11613	2.2
245.11653	0.7
251.16411	1.2
257.11722	1.0
257.15369	0.6
269.22534	1.0
271.13361	0.7
271.24136	1.4
273.14877	0.6
285.14874	1.2
287.13141	0.8
287.16382	17.7
287.23676	0.8
297.15045	0.8
303.15967	1.2
305.17542	3.6
313.18185	0.8
337.21552	1.1
337.28748	0.6
339.19455	1.3
341.21106	1.8
343.19150	1.3
343.22766	0.7
353.21207	1.7
355.22659	34.6
356.22836	0.7
357.20389	3.7
359.22137	22.7
365.21320	1.0
371.22180	3.4
407.25958	1.1
409.27414	2.4
412.77002	0.6
423.28851	1.2
425.26816	6.2
427.28421	51.6
428.28821	2.8
439.28433	9.4
475.32202	0.9
477.33737	1.8
489.33948	1.1
495.34821	5.4
543.38397	1.7
545.39856	2.3
561.39355	8.0
611.44489	2.3
629.35095	1.0
629.45581	21.4
630.45544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.3
57.07072	13.4
66.26083	1.7
67.05504	10.1
69.07058	27.1
71.11304	3.5
73.80115	1.3
79.05476	9.1
81.07046	19.8
83.01337	2.4
83.08592	3.2
84.22922	1.3
85.06541	2.5
91.05472	16.5
93.07036	25.9
95.04975	1.9
95.08596	23.7
97.04848	1.5
105.07014	34.0
107.08580	24.7
109.06486	1.5
109.10145	21.9
112.77736	1.5
117.07007	4.8
119.08562	24.7
121.10142	10.9
123.11707	10.0
129.06990	3.3
131.08530	10.5
133.10120	15.6
135.08038	4.1
135.11658	21.9
137.05988	2.4
137.13225	3.3
143.08533	3.4
144.09248	1.8
145.10112	27.4
147.11673	40.9
149.05971	2.2
149.09532	3.1
149.13246	1.7
153.05444	5.6
153.11394	1.6
157.10089	3.9
159.11690	9.5
160.12068	1.3
161.13232	5.9
162.06761	2.2
163.07523	4.3
163.11154	2.1
165.05464	48.1
167.07057	9.8
171.11649	4.7
173.09644	4.5
173.13235	2.2
175.14850	2.1
177.09093	12.3
179.07097	1.5
185.13261	5.9
189.16243	2.0
191.10661	6.2
191.17970	2.5
195.47339	1.5
199.14786	3.4
199.25040	1.3
201.09045	4.8
201.16360	75.2
203.10583	1.2
203.17938	32.5
204.07880	1.4
213.16367	2.2
219.10139	80.5
221.11720	11.5
227.14278	2.2
237.11191	100.0
238.11546	3.7
269.22559	2.4
273.14554	1.7
287.16373	28.0
305.17340	4.4
337.28668	3.1
341.21216	1.9
343.19043	2.1
353.20938	5.2
355.18704	2.2
355.22659	23.3
357.20593	6.0
359.22144	20.9
371.22177	5.8
425.26682	5.8
427.23715	1.3
427.28378	34.6
428.28546	1.7
437.26816	2.6
439.28485	5.8
475.31290	2.2
493.33273	3.2
495.34451	1.9
505.33316	2.9
543.38086	3.0
561.39526	11.9
611.44330	4.3
629.45569	19.1
630.45514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88386	0.8
53.03935	1.6
54.31369	0.8
55.01859	2.7
55.05503	7.8
56.78836	0.8
57.03426	6.3
57.07058	1.6
61.78827	0.8
65.03957	0.8
67.05492	20.3
69.03423	1.6
69.07059	8.1
70.96941	0.8
71.04973	1.2
71.08620	14.1
71.82072	1.1
79.05489	20.5
81.03410	32.0
81.07047	24.4
82.07391	1.0
82.25473	0.8
83.04975	4.5
83.08604	10.9
85.02876	1.0
85.06521	1.7
91.05468	16.6
93.07029	24.5
94.07370	1.1
95.04960	12.1
95.08602	13.3
97.02869	0.8
97.06512	5.4
97.10169	1.7
99.08089	8.8
105.07021	14.7
107.04925	4.0
107.08579	14.3
109.06510	1.9
109.10131	6.3
111.08080	4.8
113.09621	0.9
117.06999	2.6
119.08563	10.4
121.06522	2.3
121.10140	13.8
122.10458	0.8
123.08057	1.4
123.11678	2.8
125.09550	1.1
129.07011	3.0
131.08553	5.8
133.10120	8.4
134.58350	0.9
135.11691	11.9
137.09598	2.1
141.09077	1.2
142.07761	1.1
143.08545	1.4
145.10106	3.2
147.11639	4.7
149.09616	4.5
149.13261	3.4
151.11191	5.3
157.10120	4.9
157.90356	0.8
159.11714	2.3
161.13216	4.6
163.11147	4.4
163.14839	0.9
165.12762	1.3
167.10622	1.2
173.13205	1.2
173.43117	0.8
175.11139	4.0
179.14291	30.3
181.94008	0.9
183.73198	0.8
193.12192	5.8
235.16833	1.1
241.19577	1.0
249.14894	2.1
259.20596	0.8
267.15878	45.1
275.19955	1.4
276.20313	1.1
277.21634	18.8
295.22610	1.4
335.25613	1.6
336.26242	0.9
351.25281	17.6
543.36743	100.0
544.37427	1.7
610.45441	2.8
628.29694	1.0
628.46600	2.2
629.47522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01859	0.6
55.05507	2.3
57.03429	3.8
57.07067	0.7
60.07965	0.3
61.02670	0.4
61.02915	3.9
67.05495	14.3
69.03434	1.5
69.07059	5.8
70.06589	0.3
70.91798	0.3
70.92129	0.7
71.04988	1.4
73.02898	1.5
77.03871	0.3
79.05482	6.5
81.03393	0.9
81.07044	19.5
83.04955	1.3
83.08613	3.9
85.02893	5.6
85.06530	1.2
86.09693	0.5
89.79731	0.3
91.03938	3.9
91.05460	4.0
93.07031	15.7
95.04954	1.7
95.08596	4.9
97.02880	3.2
97.06522	3.3
97.10152	0.5
99.04429	0.8
99.08062	1.3
101.00536	0.4
103.03899	0.4
104.07076	0.3
105.07046	1.6
107.08582	7.7
108.08060	0.4
109.02885	0.4
109.06524	0.6
109.10097	0.9
111.04410	0.4
111.08056	2.2
111.11725	0.3
115.03861	0.3
117.07018	2.2
119.08559	0.5
120.01190	0.3
120.08068	0.3
121.06480	0.9
121.10124	5.3
123.04422	1.1
123.11678	0.4
124.05216	0.5
125.05979	0.5
127.03909	1.6
131.08566	2.6
133.06456	0.3
133.10088	2.7
135.08063	0.5
135.11684	3.3
137.05919	0.7
139.03871	0.7
139.07486	0.3
139.11168	0.7
145.04938	2.1
147.11668	0.6
149.09595	0.4
149.13245	13.6
151.03868	0.5
151.11162	0.6
153.05357	0.3
155.87556	0.3
159.11678	6.3
160.95065	0.3
161.13232	0.4
163.03850	0.5
163.06015	2.6
163.13361	0.3
163.77051	0.3
165.12766	0.3
167.07013	0.5
177.05548	0.3
177.12729	5.8
179.14252	0.8
181.04930	1.0
191.07068	0.4
195.13774	4.8
205.04921	0.3
207.06409	0.4
209.08012	0.4
213.14807	0.6
217.04919	0.3
251.16505	0.9
255.02040	0.6
259.05945	0.5
269.17441	100.0
270.04279	2.9
270.17780	1.3
289.01761	0.3
290.02448	0.5
305.10107	0.4
309.04202	0.8
345.08084	0.4
377.10553	1.6
395.20590	0.4
413.21576	1.1
431.22678	3.1
448.11014	0.4
466.14975	1.0
472.12021	0.3
628.17224	0.4
629.17590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01863	20.4
55.05501	26.3
57.03439	13.4
57.07059	5.0
65.03912	2.8
67.05492	82.2
69.03423	4.6
69.06699	3.2
69.07053	45.7
69.62327	1.6
71.04979	3.1
71.79964	3.8
79.05476	56.3
81.03398	8.5
81.07043	92.5
83.04974	9.7
83.08591	9.0
85.06505	5.1
91.05465	72.1
93.07029	69.0
95.01315	8.6
95.04963	14.1
95.08586	55.1
95.68430	1.9
97.06513	35.8
97.10159	5.3
99.08058	3.8
101.95889	1.6
104.52432	1.8
105.07016	81.2
107.04947	18.9
107.08574	34.9
109.06480	10.5
109.10136	23.1
111.08058	3.9
111.11725	1.9
113.09650	2.9
115.05463	2.5
117.06990	17.5
118.05505	1.9
119.08553	45.2
119.09318	1.9
121.06486	5.4
121.10122	29.1
123.04414	2.3
123.08041	6.2
123.11676	7.5
125.09617	3.2
129.07010	4.7
131.05954	1.7
131.08545	31.6
133.10109	49.5
135.08063	3.6
135.11682	21.0
137.09628	3.4
137.13260	2.0
139.11221	2.1
143.08562	5.9
145.10097	25.0
147.11659	21.0
149.09612	8.6
149.13203	6.6
151.11124	2.7
155.08536	2.9
157.10109	5.4
159.11653	17.6
161.09587	4.2
161.13246	7.2
163.11162	8.4
165.05496	2.1
165.09160	2.2
169.10048	2.7
171.11655	4.0
173.13252	6.2
175.11234	2.7
177.12721	6.0
179.14299	13.6
183.11626	2.4
185.13261	4.3
187.11087	2.1
187.14850	2.7
197.13264	2.6
199.14938	2.0
201.16396	3.7
203.17912	3.4
219.17409	44.1
229.14204	2.8
229.19496	3.2
237.11217	3.0
239.17851	4.1
247.20680	3.5
257.18991	9.0
261.22064	3.4
275.20020	93.5
293.21060	3.4
335.25760	88.4
335.29816	4.3
337.27328	2.3
338.27701	2.6
349.23715	25.1
485.36911	2.2
609.45093	100.0
610.45386	2.6
612.00708	2.2
627.45764	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	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01629	1.3
53.03937	3.8
55.01852	7.4
55.05503	28.7
55.93364	1.3
57.03426	8.9
57.07076	8.4
59.04982	3.4
65.03934	4.2
67.05495	63.1
69.03414	1.6
69.07058	26.7
70.90079	3.7
71.04974	4.9
71.08622	10.6
79.05482	47.9
81.03392	2.2
81.07046	65.9
83.04981	6.9
83.08605	14.7
85.06534	4.8
85.44598	1.3
87.16836	1.2
91.05466	39.3
93.07032	51.3
93.86176	1.2
95.04952	10.1
95.08596	44.7
97.06519	8.1
97.10141	10.1
97.39280	1.3
99.08074	9.3
99.08627	1.2
105.07014	42.6
107.04924	6.1
107.08579	38.1
109.06495	5.9
109.10143	26.6
111.08054	3.6
113.09647	2.8
115.05451	2.4
117.07005	15.2
118.07600	1.3
119.08566	34.9
121.06528	3.7
121.10131	26.2
123.08104	4.4
123.11681	7.6
125.09617	8.2
128.06232	3.4
129.06982	12.9
130.07784	2.6
131.08551	29.1
131.09468	2.0
133.10106	22.6
135.08043	4.4
135.11665	16.9
137.09616	2.9
137.13313	1.7
139.11168	2.0
141.06990	4.0
142.07793	3.6
143.08557	16.3
145.06502	1.3
145.10101	28.9
147.08044	1.9
147.11649	19.2
149.09610	8.0
149.13226	6.2
151.11151	3.4
151.14841	1.3
153.12735	1.6
154.07744	1.7
155.08522	8.0
156.09341	3.1
157.10135	13.4
159.08084	1.2
159.11676	17.1
161.09621	3.5
161.13269	8.3
163.07576	1.9
163.11128	7.8
163.14819	3.1
164.71535	1.3
165.05519	3.1
165.12805	1.8
167.08586	4.7
169.10077	10.4
171.11647	12.7
173.09676	3.0
173.11841	2.7
173.13252	15.2
175.11234	1.4
175.14853	5.7
177.12825	2.1
179.14362	3.6
181.10167	4.5
183.11674	10.2
185.13226	8.6
187.11169	1.7
187.14790	6.8
189.11241	3.5
189.12747	1.5
189.16481	1.7
191.14311	1.8
193.10129	1.6
195.11710	3.7
197.13235	7.1
199.14856	8.2
201.12613	1.7
201.16483	5.5
203.17966	4.2
205.08569	1.9
207.11745	1.9
209.13246	3.9
211.14890	5.6
213.16481	3.7
215.14439	1.9
215.17981	3.0
217.15848	1.6
217.19435	2.3
219.17493	1.6
221.13441	1.8
223.09624	2.0
223.14836	3.3
225.16425	3.5
227.12683	7.5
227.18044	2.6
229.19585	2.5
231.17461	2.2
233.19002	1.4
237.16447	2.0
239.18044	4.2
241.19585	5.5
243.21091	2.6
245.19084	1.3
247.20660	1.4
253.19572	1.6
255.21262	1.3
257.19040	3.7
259.20667	4.0
261.22174	3.5
271.20450	1.6
275.20020	21.3
277.21643	3.7
289.21677	3.0
293.21201	1.8
315.23309	1.6
323.23459	1.5
329.24561	1.6
333.24335	2.1
335.25717	13.4
349.23633	8.6
351.25543	4.0
367.30386	1.6
405.31610	1.4
419.28195	1.4
423.32477	2.1
437.34128	1.9
441.33615	2.1
443.28085	1.6
450.91647	1.4
467.24231	1.4
497.36060	2.0
501.35489	3.4
511.37823	2.2
513.35437	9.1
515.37555	2.9
517.40186	6.4
527.37073	6.1
529.39056	4.1
535.41705	8.2
553.42609	5.9
591.44244	3.1
599.46283	1.6
609.45135	51.3
610.45630	1.9
627.29144	3.3
627.46155	100.0
628.46722	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	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68895	1.4
51.02367	2.5
53.03927	4.7
55.01869	15.8
55.05503	23.5
57.03426	7.1
57.07073	8.9
59.04985	1.8
63.16240	1.7
65.03929	5.1
67.05494	60.8
69.03375	1.8
69.06694	2.9
69.07054	37.1
71.04985	5.0
71.08620	46.7
71.79939	2.2
79.05481	58.4
81.03407	5.9
81.06557	3.9
81.07043	78.5
83.04962	5.2
83.08610	14.8
85.06538	6.8
87.04465	1.7
91.05468	61.8
93.07030	78.3
95.01315	3.8
95.04946	13.1
95.08591	57.8
97.06512	23.5
97.10158	7.0
99.08075	28.9
103.05456	1.8
105.04503	1.5
105.07012	69.4
107.04932	9.6
107.08580	40.1
109.06498	6.2
109.10149	21.9
111.08083	4.5
113.09686	1.9
115.05484	1.9
117.07001	21.6
119.08563	46.5
121.06505	4.4
121.10133	36.9
123.08023	4.7
123.11698	9.0
125.09641	5.8
127.11156	3.4
128.06195	3.0
129.06970	14.8
131.08543	33.5
133.06523	1.8
133.10107	37.2
133.11046	3.0
135.07979	3.0
135.11659	28.2
137.09637	2.6
137.13251	3.7
139.11201	3.5
141.07018	3.8
141.09062	2.2
142.07736	2.4
143.08528	19.9
145.10114	34.9
147.08032	2.8
147.11662	28.2
149.09621	6.9
149.13283	12.6
151.11177	13.1
155.08510	7.6
156.09328	2.1
157.10097	17.9
159.11647	21.5
161.09645	4.5
161.13226	24.9
163.11133	12.4
163.14882	4.1
165.09000	2.1
165.12764	2.1
167.08557	2.3
169.10081	11.4
171.11688	15.7
173.09636	2.2
173.11816	3.2
173.13261	11.7
175.11134	2.4
175.14758	9.0
177.12668	3.0
177.16426	1.8
179.14281	33.5
179.15746	2.6
181.10144	4.1
183.11633	10.4
185.13226	10.6
187.11177	2.1
187.14861	7.0
189.12613	2.5
189.16400	1.6
195.11646	4.7
195.13687	1.5
197.13284	8.4
199.14822	7.0
201.16406	4.3
203.17894	2.4
209.13208	3.2
211.14835	4.9
213.16403	4.2
215.17973	2.9
217.19617	2.5
219.17448	4.4
223.14816	3.9
225.16420	3.4
229.19592	2.3
231.21008	3.0
233.15247	1.8
235.16820	2.0
237.11165	2.8
237.16362	2.5
239.17929	2.8
241.19493	19.8
243.21133	7.2
257.18979	4.0
259.20538	22.6
261.22180	7.3
275.20032	29.8
277.21619	26.6
291.20016	1.9
293.21146	5.9
295.22678	5.4
297.22028	2.3
299.23718	1.7
315.23035	4.2
317.24893	2.5
333.24219	27.5
335.25806	19.5
349.23666	23.6
351.25293	32.4
419.32965	3.9
437.34094	15.4
455.35251	2.4
501.35672	2.7
511.37869	11.0
513.35254	3.3
515.37201	3.8
517.40448	4.0
527.37384	2.4
529.38867	4.9
535.41589	6.3
553.42438	4.0
609.45032	100.0
610.45660	3.7
627.46161	80.1
628.46558	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	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.0
53.03936	6.6
55.01860	20.9
55.05507	29.3
57.03437	9.7
57.07063	6.3
65.03927	4.1
67.05500	90.1
69.03408	4.6
69.07061	34.5
71.04991	8.5
71.08625	3.7
79.05489	77.8
80.05868	1.8
81.03420	5.5
81.07050	100.0
83.04993	7.1
83.08615	18.8
83.20523	2.2
85.06554	6.6
91.05475	58.9
93.07037	73.4
95.04964	15.4
95.08597	65.4
97.06522	27.1
97.10159	10.1
98.20681	4.8
98.21375	8.6
99.08109	4.9
105.07017	50.1
107.04964	11.2
107.08588	44.8
109.06510	14.4
109.10130	30.9
111.08082	5.5
113.09590	1.8
117.07008	17.8
119.08570	43.8
119.09399	2.2
121.06515	6.4
121.10138	34.7
123.08083	6.2
123.11675	12.3
125.09640	6.6
128.06209	2.5
129.06967	9.8
130.07762	3.0
131.08554	28.1
133.10120	34.3
135.08087	6.4
135.11691	23.0
137.09604	5.1
137.13271	3.1
141.06982	3.0
143.08540	11.7
145.10115	29.0
147.11664	24.9
149.09596	19.9
149.13268	9.0
151.11185	5.0
153.05479	1.9
153.12718	2.5
155.08620	2.3
156.09381	2.4
157.10153	10.7
159.11700	18.6
161.09673	4.2
161.13277	11.0
163.11169	14.8
163.14799	3.2
165.12796	5.0
169.10141	4.7
171.11728	8.3
173.13220	14.9
175.11214	4.3
175.14851	7.6
177.12752	2.4
179.14371	3.9
183.11751	7.7
185.13301	7.6
187.11206	2.9
187.13199	2.0
187.14830	4.7
189.16345	2.5
191.10757	2.0
195.11794	3.0
197.13258	5.1
199.14809	3.5
201.16438	4.1
215.18037	2.1
219.17340	2.5
227.12791	4.9
229.19705	2.9
239.17767	3.7
241.19452	2.6
243.21175	2.2
245.18755	2.0
247.20679	2.9
257.19016	11.5
259.20685	6.1
261.22156	6.9
267.16052	3.7
275.20029	55.6
277.21783	5.5
293.21127	14.4
317.24826	3.8
333.24435	5.3
335.25781	40.1
349.23740	26.0
351.25531	2.9
505.35822	2.5
515.37665	5.5
517.40637	4.5
535.41016	3.7
553.43182	2.3
567.24988	5.1
591.44629	3.1
609.35858	3.0
609.45258	44.9
610.46149	4.0
627.46332	66.7
628.47247	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	627.3365
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
53.03933	8.5
54.95316	2.1
55.01865	6.3
55.05500	30.6
56.79084	2.3
57.03428	24.4
57.07052	3.7
67.05137	3.5
67.05495	63.2
69.03413	16.8
69.07053	21.3
71.01331	5.3
71.04968	9.2
71.20609	5.9
74.62218	2.3
79.05482	52.7
81.02934	5.0
81.03407	100.0
81.07047	46.7
81.67702	2.3
83.04967	36.8
83.08607	23.4
85.02898	21.0
85.06510	5.3
88.85574	2.4
91.05459	48.1
93.07030	60.0
95.04951	34.3
95.08588	15.8
97.02875	18.8
97.06498	15.6
97.10152	12.2
99.04434	6.6
105.07014	24.1
107.04928	13.2
107.08584	36.1
109.02852	10.9
109.06526	5.1
109.10132	10.5
111.04458	12.9
111.05071	2.3
111.08073	11.6
115.05393	3.6
117.06966	9.1
119.04858	2.1
119.08554	24.0
121.06492	7.9
121.10154	16.1
123.04413	4.6
123.08089	4.5
123.11700	3.9
125.09618	5.2
127.03897	11.6
129.05458	8.4
129.06990	13.9
131.04889	2.8
131.08572	15.7
133.06464	4.1
133.10123	15.0
135.11670	52.8
137.09569	4.3
138.91010	2.5
139.29314	2.9
142.07712	3.2
143.08513	3.8
145.04967	2.7
145.06476	3.2
145.10101	13.4
147.08037	6.2
147.11674	13.5
149.05949	3.9
149.09581	9.0
153.12695	7.5
155.08553	2.4
157.10132	13.2
163.11131	10.5
165.12799	2.8
167.07062	6.7
175.11168	17.9
181.12177	17.6
191.03270	2.4
193.12187	43.4
205.08516	4.4
205.12114	2.6
211.13258	47.3
219.10204	7.0
223.09595	8.0
227.12688	4.7
229.14233	2.8
249.14714	3.9
255.15881	79.1
256.16147	3.4
257.04428	5.5
267.15872	32.8
269.04129	3.0
276.71371	2.5
285.03912	29.9
285.16843	11.7
289.14502	4.1
322.16843	2.9
325.16440	3.1
327.08514	3.9
345.20682	4.2
348.44250	3.3
355.17532	3.6
355.22482	2.6
399.14023	4.1
399.20023	3.4
401.15903	5.7
411.19583	3.5
411.25204	2.6
421.25806	3.3
429.21005	13.5
429.26205	6.4
447.27322	98.4
448.27722	7.2
465.28461	61.7
466.28546	4.8
591.31836	5.2
609.32690	61.7
610.32849	4.5
627.32446	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	627.2808
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.31020	0.2
55.05500	0.8
57.03431	0.2
63.73161	0.2
67.05493	1.3
69.03411	0.2
69.07054	0.6
69.22398	0.2
71.04971	0.2
79.05476	0.8
81.03415	0.5
81.07037	0.9
83.04961	0.2
83.08591	0.3
89.78796	0.2
91.05475	0.7
93.07039	0.8
95.04975	0.3
95.08604	0.4
97.10156	0.3
98.20667	0.4
105.07031	0.4
107.04912	0.2
107.08581	0.8
108.30794	0.2
109.10160	0.5
117.07077	0.3
119.08499	0.5
121.10092	0.3
131.08594	0.3
133.10141	0.4
135.11699	0.4
145.10078	0.2
145.29543	0.2
151.11151	0.2
193.12242	0.3
197.10757	0.2
199.02005	0.2
221.10588	0.2
229.96556	0.2
255.15939	0.2
302.16537	0.2
314.16776	0.2
377.17563	0.5
379.19125	0.6
391.19205	0.8
392.20026	0.5
393.20938	1.6
395.22375	0.4
405.16602	2.0
405.21738	0.4
406.17212	1.4
406.21790	0.5
407.18314	0.6
407.22678	3.1
408.23285	0.6
418.17712	0.5
419.18372	2.6
420.19174	2.1
421.20306	3.6
422.20810	0.6
423.21881	1.2
433.20309	3.5
434.21194	3.8
435.21976	5.8
436.22601	1.4
437.23615	0.3
447.22772	1.0
448.18143	0.3
448.23221	0.4
449.19492	6.3
450.20078	0.7
453.23074	0.3
461.23853	0.4
462.20386	0.4
463.20947	2.6
464.22083	1.9
465.18576	0.3
465.23129	0.6
466.23807	0.4
467.24713	0.4
475.21439	0.3
476.22150	0.6
477.22653	0.7
479.19971	1.9
480.21420	0.6
481.22134	2.4
491.24176	0.3
493.22141	1.6
494.23132	2.5
495.23877	2.4
507.23987	10.1
508.24698	0.9
509.25250	0.6
510.26349	0.5
511.26736	0.2
521.24878	0.6
525.24799	0.5
526.25464	0.5
535.23267	0.5
536.24017	0.4
537.25421	0.4
538.21948	0.3
539.22290	1.9
549.24963	1.7
553.24500	0.6
566.25684	0.3
567.26031	18.8
568.26294	1.9
581.26166	0.3
595.25647	0.3
596.26068	0.3
598.23840	0.3
609.26422	0.4
627.28027	100.0
628.28345	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	627.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.9
67.05495	1.5
68.99766	2.0
69.03405	1.6
70.06576	3.3
71.47383	0.7
71.47708	1.6
73.02877	0.7
81.03401	0.7
83.04948	1.3
83.08583	0.7
84.04515	1.0
85.02887	2.1
86.06052	0.9
88.04914	0.6
91.05460	0.9
93.03381	0.8
95.04974	4.1
97.02888	1.0
111.04436	1.8
112.26678	0.7
119.04932	4.0
123.04416	54.8
124.04716	1.1
127.03931	1.6
135.04410	1.5
137.02335	0.9
139.03885	100.0
140.04225	0.8
143.04875	1.2
147.04393	21.8
147.70810	0.8
151.03867	2.3
153.05414	1.3
159.04439	0.8
161.05943	7.3
163.03920	3.3
165.05470	13.8
167.24596	0.7
169.04927	1.6
171.15427	0.7
175.09688	0.8
177.05458	1.8
179.07030	2.5
181.04890	1.2
183.83623	0.7
189.05524	1.6
207.06526	7.4
243.08679	4.0
244.09456	2.4
249.07726	0.8
257.10535	0.8
273.07556	2.5
273.11246	1.0
291.08603	62.2
292.09061	0.9
303.04950	4.6
303.87939	0.7
315.13425	1.0
378.15457	2.2
379.16031	1.4
465.16995	1.7
530.67456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2803
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05481	0.6
61.62585	0.4
67.05497	1.3
69.68475	1.4
77.21958	0.4
79.05469	1.0
81.07054	0.8
83.04995	0.4
91.05446	0.9
93.07018	0.7
95.04965	0.5
105.06988	0.7
106.06596	0.6
107.08525	0.6
108.08096	0.8
109.10180	0.6
118.06574	0.6
119.08525	0.5
120.04410	0.6
121.10112	0.5
123.08178	0.4
129.07059	0.5
131.07283	0.8
131.08609	0.4
134.06038	0.5
136.07570	1.4
138.09116	0.6
140.81459	0.4
144.08084	0.4
146.05916	0.4
146.09641	0.6
158.08453	0.4
172.07538	0.5
172.10005	0.6
174.09116	4.0
182.09694	0.5
187.08644	1.1
187.12279	3.2
188.10680	1.1
190.05046	0.6
197.07091	0.9
197.10698	0.7
198.09145	0.5
199.08641	0.7
199.12357	0.8
200.09410	0.4
211.08696	1.7
211.12250	0.5
212.09489	1.0
213.10210	1.0
215.11708	2.1
223.08655	0.8
223.12213	0.4
224.09427	1.2
225.06725	0.6
225.10162	2.6
226.10818	1.0
227.11772	2.5
235.08690	1.3
236.09554	0.4
237.10309	1.0
239.11722	2.0
240.12570	0.5
241.13234	2.4
243.11259	17.8
244.11455	0.6
249.10219	0.9
250.08603	0.6
251.11862	1.0
252.08875	0.6
253.09723	1.7
255.11232	0.6
261.10117	0.5
263.11841	0.7
265.09729	0.8
267.11252	6.1
269.12875	2.0
277.09741	1.0
279.11407	0.6
285.12390	1.9
291.11182	0.9
293.12613	0.6
295.10770	2.7
299.13953	1.0
300.11746	0.7
301.12393	0.6
301.15363	2.4
302.12805	0.7
309.12305	1.3
311.14063	0.7
314.12888	1.1
315.14017	0.6
316.10773	1.3
316.14337	0.8
317.11823	0.5
318.12625	0.4
319.10739	0.8
325.15439	6.2
326.12976	0.6
327.13358	4.7
327.16928	0.4
328.10718	1.6
328.14566	1.3
329.11694	0.9
330.12372	2.0
330.16049	0.9
334.15482	0.8
336.13382	0.5
341.11731	0.7
342.12421	2.4
342.15845	0.7
343.13043	2.6
344.13953	3.0
344.17712	0.7
345.14542	1.3
346.15521	1.7
348.13324	2.8
354.16086	0.5
356.13992	2.7
357.14798	1.6
358.11850	0.5
358.15378	2.6
359.16287	0.5
360.17001	0.7
366.18298	0.6
368.14261	0.4
370.15683	1.5
371.16364	1.0
372.17145	3.7
374.14749	1.0
374.18887	0.6
382.15329	1.0
384.17188	0.8
385.17938	0.8
386.14935	1.7
386.18753	1.4
387.15707	0.5
390.94629	0.4
393.17575	0.5
398.15131	0.9
400.16565	2.1
403.15887	1.1
404.16458	0.6
407.14853	0.5
412.16788	0.5
416.15598	0.8
417.16907	0.6
418.17368	0.7
419.18933	0.7
420.16812	0.8
421.16788	0.9
422.17709	0.9
428.15997	0.6
430.17548	1.0
431.18451	0.9
432.19522	2.9
433.19949	0.6
434.18015	0.5
435.14148	1.1
437.19843	1.3
438.20319	0.5
444.19278	0.7
445.20529	0.6
446.20218	0.5
447.21643	2.0
448.20432	0.5
449.15707	1.3
449.20834	0.6
450.16830	1.3
451.17667	1.6
452.22128	0.7
460.18506	0.9
461.23666	0.9
462.25229	1.9
463.21735	2.4
464.18607	1.4
465.18701	9.7
466.19650	0.9
468.21072	0.5
472.18988	0.6
473.19730	0.5
475.20895	0.8
477.19269	0.8
478.20316	1.3
479.20566	3.7
480.21201	3.7
481.22293	2.8
489.22845	1.4
490.19693	0.9
491.20618	0.9
492.21390	2.5
493.22568	3.7
494.22882	0.8
504.21262	2.3
505.21393	0.8
507.24149	3.7
508.20920	0.9
517.22174	1.9
520.20856	1.1
521.24274	0.7
535.23419	4.6
536.23492	0.8
537.21442	0.7
540.24066	0.6
541.23871	1.2
549.24921	9.2
550.25256	0.7
552.23615	1.5
553.24585	1.0
554.24908	0.7
567.25995	45.7
568.26215	2.9
577.24573	1.6
595.25452	33.0
596.25751	2.7
609.27087	0.7
627.28046	100.0
628.28326	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
53.19856	0.2
57.03419	0.4
60.04540	0.2
61.02920	7.2
65.35607	0.2
67.05472	0.3
68.99786	0.4
69.03410	1.0
69.86703	1.8
70.06570	0.4
71.04966	0.4
73.02906	2.7
81.03390	0.7
81.07026	0.3
81.11452	0.3
85.02893	9.6
86.09651	0.3
91.03944	5.8
95.04989	0.5
97.02879	4.4
98.46459	0.2
99.04427	0.6
101.02396	0.3
105.07031	0.3
109.02861	0.7
111.00783	0.7
115.03921	0.7
121.02846	0.7
127.03913	2.4
129.35019	0.2
135.04471	0.2
137.02335	2.8
145.04942	2.3
146.06741	0.2
149.02388	0.3
153.01816	2.5
163.03879	0.5
163.05972	2.1
165.01834	1.6
173.05988	0.4
183.02864	0.5
201.05472	1.2
205.04945	0.3
219.03122	0.3
229.04918	2.8
247.05952	0.5
257.04437	2.4
267.94604	0.3
274.04910	0.6
275.05533	0.4
285.03925	1.2
303.04959	100.0
304.05304	2.2
315.05017	1.1
327.05002	0.4
345.05911	1.2
369.06076	1.0
411.06897	0.3
447.09070	0.4
465.10370	3.0
534.16809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01867	9.8
55.05507	12.5
57.03428	4.3
57.07058	1.1
65.03945	1.1
67.05497	27.1
69.03421	1.5
69.06690	1.4
69.07062	25.3
71.04983	1.6
72.14835	0.9
79.05487	18.8
81.03384	1.9
81.07050	27.2
83.04987	3.6
83.08614	6.8
85.06544	1.9
91.05466	22.1
92.59537	0.9
93.07034	24.3
95.01308	1.2
95.04966	5.6
95.08599	20.1
97.06519	12.7
97.10162	2.9
98.20709	2.9
99.08084	2.3
105.07018	27.1
107.04950	5.8
107.08582	14.3
109.06508	2.9
109.10156	9.1
111.08064	2.0
115.05444	1.4
117.07019	8.2
117.07748	1.4
119.08565	20.0
121.06495	1.9
121.10155	9.5
123.08066	2.0
123.11699	3.4
125.09596	2.4
128.06174	1.2
129.07001	7.8
131.08556	18.5
133.06511	1.2
133.10124	16.3
135.08066	1.8
135.11703	6.5
137.09695	1.1
137.13272	0.8
141.07018	3.0
143.08554	8.3
144.09354	1.2
145.06422	1.0
145.10112	13.2
145.11113	1.5
147.08061	1.4
147.11679	10.3
149.09621	4.9
149.13286	3.2
151.11217	1.8
151.16118	1.0
155.08571	5.0
157.10104	8.8
159.08096	1.4
159.11671	10.7
161.09651	2.1
161.13225	7.0
163.11162	2.8
165.07007	1.0
167.08586	2.7
168.09422	1.4
169.10141	8.0
171.07964	0.9
171.10309	1.8
171.11635	9.3
173.09610	1.1
173.13235	7.3
175.11026	1.0
175.14841	3.0
177.12796	2.1
179.08574	1.7
179.14360	1.9
181.10146	3.6
183.11674	7.1
184.07344	1.0
185.13319	6.2
185.14735	1.0
187.11212	1.7
187.14847	3.1
189.16205	1.1
193.10123	1.7
195.11702	5.2
197.13272	4.7
199.14824	4.8
201.12697	1.0
201.16493	2.0
203.17757	1.0
205.12202	1.0
207.11717	1.6
207.14041	0.8
209.13306	3.4
211.14861	3.7
213.16428	1.8
215.17862	1.7
221.13327	1.4
223.14857	2.9
225.16399	2.7
227.14435	1.1
227.18074	1.0
229.99577	1.3
235.14771	1.7
237.16441	1.8
239.18066	1.9
241.19545	6.0
254.34114	1.0
257.19098	3.7
259.20551	6.9
263.17654	1.0
265.19611	1.1
270.25549	0.9
275.20099	14.0
276.20068	0.9
277.21576	2.8
285.22128	1.4
293.21204	1.2
297.22113	1.4
313.22037	1.4
315.23224	2.5
333.24429	6.9
349.23663	9.8
376.16837	1.0
391.19669	1.0
392.20020	1.4
407.22183	2.6
419.18503	2.3
419.33264	1.5
421.31055	1.2
433.20203	3.7
434.21112	1.8
435.17566	1.1
435.32507	2.3
436.18613	2.2
437.20129	2.2
437.34204	4.8
449.15427	4.4
451.21719	4.5
452.21686	2.1
463.16855	5.7
464.18600	3.6
465.19254	3.7
477.19446	3.3
478.19955	9.1
479.20319	8.3
480.21271	1.6
491.20932	4.0
492.21317	1.6
493.36151	1.3
505.22427	1.6
505.40384	1.1
509.36026	1.2
511.37878	6.2
513.36005	3.0
515.38947	3.0
521.25616	2.2
523.20239	2.2
527.37396	3.1
529.38501	2.1
533.40015	4.9
537.24023	1.4
551.41028	3.1
555.37000	1.9
556.37573	1.5
565.24420	29.5
566.24860	5.8
597.44891	2.0
607.43542	29.6
625.26599	100.0
625.44196	52.8
626.26965	18.3
626.44684	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90276	1.6
53.00288	1.5
53.03927	5.6
54.07645	1.9
55.01865	21.1
55.05505	22.1
57.03434	9.4
57.07064	4.8
61.79627	1.3
65.03941	2.7
66.94208	1.3
67.05496	47.5
69.07060	67.9
69.07439	3.3
71.04985	4.6
71.79744	1.7
79.05482	37.9
81.03412	6.3
81.07043	56.9
83.04975	6.7
83.08611	11.2
85.06522	3.3
85.52049	1.3
91.05470	53.6
93.06441	2.4
93.07033	41.8
95.01324	4.7
95.04957	9.1
95.08599	39.2
96.08961	2.2
97.06521	32.2
97.10166	7.0
99.08076	3.8
103.05482	2.3
105.07018	60.0
107.04945	12.6
107.08578	25.6
109.06512	5.6
109.10134	16.7
111.08093	3.5
115.05449	3.1
117.07001	18.6
119.08568	42.5
119.09441	2.3
121.06480	3.8
121.10106	18.8
123.08065	6.0
123.11700	4.4
125.09628	4.5
128.06248	3.5
129.06979	12.4
129.07800	1.6
130.07700	2.2
131.08546	34.3
133.10117	36.9
135.08089	4.3
135.11678	14.6
137.09644	2.8
138.16243	1.4
139.11221	2.0
141.06987	4.3
143.08536	18.6
145.06494	3.7
145.10106	30.3
147.08044	2.7
147.11665	26.6
147.12726	2.0
149.09586	6.8
149.13223	6.8
151.11189	4.0
155.08559	9.1
157.10117	21.5
159.08112	1.6
159.11679	23.2
161.09705	2.2
161.13245	14.9
163.11183	5.0
163.14848	1.7
165.09111	1.4
167.08568	4.1
169.10129	13.1
171.08087	2.7
171.10226	3.1
171.11652	18.8
173.09731	1.8
173.13237	14.4
175.11235	1.7
175.14833	7.2
177.12793	3.8
179.08516	1.5
179.14304	5.2
181.10104	8.4
183.11671	11.0
185.13216	13.0
186.50058	1.3
187.11244	4.2
187.14862	5.4
189.12720	1.7
189.16431	2.0
193.10112	2.7
195.11699	8.7
197.13315	9.4
199.14827	8.0
201.12663	2.3
201.16415	2.4
207.11754	3.3
209.13255	7.3
210.13947	1.8
211.14868	5.1
213.12762	2.5
213.16411	6.1
215.14302	1.8
215.18037	2.6
217.15836	1.9
217.19522	2.7
221.13219	2.6
223.14819	4.5
225.16423	3.8
229.19464	2.6
231.17427	1.7
231.21051	2.0
235.14838	1.8
237.16418	2.8
237.68573	1.4
239.18089	3.1
241.19487	17.9
249.16360	2.3
251.17960	1.8
257.18906	8.4
259.20544	23.6
265.19406	1.6
266.12430	1.4
267.21313	1.6
273.18573	3.8
275.20038	42.1
277.21878	2.7
283.20389	2.0
293.21198	4.9
297.22244	3.7
299.19537	1.6
313.21619	1.9
315.23264	5.4
333.24231	27.4
337.25299	1.6
341.24948	1.7
349.23651	31.5
407.77176	1.3
419.32846	2.1
421.31012	1.9
435.32605	5.4
437.34052	13.1
453.35834	1.7
455.34811	1.8
475.35754	1.8
493.36954	2.2
501.35547	3.6
505.40250	1.9
509.36230	3.7
511.37772	12.5
513.35999	7.9
515.38733	4.6
527.37299	6.6
529.38861	4.9
533.39996	9.5
538.37091	1.9
551.40924	9.0
555.36896	4.5
556.37634	2.9
589.42401	3.3
597.45093	3.9
607.35663	1.3
607.43469	64.4
625.29510	12.9
625.44574	100.0
626.45416	2.7
629.94476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05492	0.7
63.59760	0.2
66.72658	0.2
67.05489	1.3
69.07053	0.7
71.81862	0.5
72.21231	0.2
79.05502	1.1
79.05884	0.2
80.80765	0.2
81.02654	0.2
81.07053	1.4
82.37308	0.2
83.08595	0.4
91.05463	1.3
93.07036	1.3
95.04969	0.6
95.08594	0.9
105.07005	1.2
107.04943	0.2
107.08591	0.8
109.06516	0.5
109.10150	0.8
117.06986	0.5
119.08583	0.8
121.10140	0.9
125.09586	0.2
129.07014	0.2
131.08539	0.4
133.10120	0.6
135.08017	0.4
135.11691	0.6
143.08598	0.4
145.10135	0.4
147.11708	0.3
153.05409	0.2
159.11722	0.5
164.29684	0.2
172.50133	0.2
179.14348	0.3
197.10651	0.2
214.87500	0.2
233.89137	0.2
237.18904	0.2
239.62787	0.3
273.18460	0.6
275.20160	0.3
277.21753	0.3
291.19522	0.8
335.25726	0.4
376.16971	0.2
377.17566	1.0
378.18231	0.3
379.19293	0.7
391.14871	0.4
391.19345	1.1
392.20111	1.0
393.20670	2.0
395.22482	0.3
403.19339	0.4
404.20090	0.4
405.16406	2.6
405.21042	0.9
406.17300	1.0
406.22415	0.3
407.22479	5.4
408.23077	0.7
417.21213	0.5
418.17462	0.5
419.17978	3.2
419.23096	0.6
420.19055	2.0
421.20151	2.8
421.24561	0.3
423.21909	0.3
431.18048	1.0
432.19379	0.7
433.19839	4.1
433.25226	0.4
434.21008	4.0
435.21878	6.2
436.22372	0.7
437.23361	0.3
445.20306	0.9
446.20657	0.7
447.22217	1.8
448.23044	0.4
449.19415	3.1
450.20187	0.4
451.25592	1.3
452.25787	0.4
459.21436	0.4
460.22583	0.7
461.23853	1.5
463.20746	2.2
464.21735	1.5
465.22894	2.3
466.23306	0.4
467.24380	0.4
473.23642	0.2
477.22614	1.9
478.23633	5.1
479.24890	4.5
480.25089	0.5
491.24921	1.6
492.25363	0.4
493.22122	0.8
495.23776	0.4
505.25977	0.8
507.23676	0.6
509.21768	0.2
510.26016	0.3
521.25500	9.9
522.25891	0.7
523.22839	1.8
533.25305	0.4
535.23792	0.3
537.24646	1.1
547.27020	1.8
549.25305	0.6
551.26801	0.3
565.28040	22.3
566.28088	1.6
581.27570	2.6
593.27386	0.6
596.26282	0.5
597.30286	0.5
607.28857	1.1
607.43408	0.3
608.28009	0.3
625.30121	100.0
626.30499	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	624.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	15.0
57.03413	9.9
57.07065	39.8
58.06813	4.1
67.05501	43.5
69.07059	21.3
69.82029	23.9
69.82446	7.3
71.08624	29.1
79.05482	30.7
81.06609	5.6
81.07053	43.3
81.15405	4.0
83.08611	12.5
85.10182	11.9
91.05476	38.1
93.07018	38.0
94.35186	4.1
95.08589	36.4
97.10139	4.2
98.20674	4.3
105.07029	42.3
107.08582	17.6
109.10166	16.7
117.06999	14.2
119.08578	36.5
121.10114	13.4
123.11684	5.4
129.07068	7.2
131.08545	16.1
133.10075	23.2
135.11674	17.7
145.10124	13.2
147.11659	28.2
157.10094	5.0
159.11662	13.3
161.13220	22.2
173.13246	8.6
175.14891	9.2
185.13341	7.4
196.57903	3.9
199.14865	8.4
231.21060	7.3
241.19487	26.1
259.20532	73.3
269.59192	5.1
277.92993	4.5
282.73840	4.8
313.27338	100.0
315.23218	9.6
333.24210	64.6
571.46991	8.7
589.48010	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	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01864	9.2
55.05502	30.2
57.03426	11.9
57.07069	2.4
61.02913	4.6
64.08273	1.8
65.03925	4.7
67.05495	55.4
69.03419	21.0
69.07056	19.8
69.64791	6.8
69.65219	5.8
71.04974	7.1
73.02902	3.0
79.05481	47.6
79.05940	2.5
81.03405	94.7
81.07046	77.5
83.04970	24.5
83.08601	28.4
85.02897	25.5
85.06544	3.9
91.03942	1.5
91.05461	52.9
93.07030	51.5
95.04959	32.0
95.08593	25.3
97.02879	16.6
97.06522	10.6
97.10193	8.4
99.04427	5.3
100.88029	1.9
103.05444	3.2
105.07014	31.4
107.04935	12.0
107.08574	25.6
109.02853	16.0
109.06525	8.3
109.10158	7.2
111.04432	13.9
111.08067	11.1
113.06005	3.0
115.90037	1.6
117.06982	11.5
119.04890	1.7
119.08566	24.0
121.06479	9.4
121.10123	18.0
123.04419	3.4
123.08060	4.5
123.11684	5.2
125.09620	6.0
127.03866	11.1
127.07529	1.4
128.06178	1.8
129.05473	3.4
129.06981	14.1
131.04892	3.1
131.08546	23.8
133.06491	8.0
133.10103	18.0
135.08037	5.2
135.11693	7.1
137.05969	1.7
137.09593	2.4
141.06979	2.8
142.07813	2.6
142.70084	1.7
143.08563	4.2
145.06433	8.4
145.10094	9.2
147.04378	4.0
147.08025	5.9
147.11679	16.0
149.09653	7.0
149.13210	9.3
151.11159	2.0
153.12775	2.9
155.08591	2.7
157.10072	14.2
159.08090	3.8
159.11632	10.3
161.05949	2.1
161.09512	2.9
163.11200	4.9
165.12781	4.4
169.10182	3.6
171.08040	3.3
171.11661	3.8
175.09889	1.6
175.11172	10.1
177.12788	5.2
179.03386	3.0
183.06561	2.8
183.11703	2.2
185.13290	2.7
189.11186	2.8
189.12762	2.1
191.10680	4.3
193.12192	30.0
193.13782	2.1
195.12157	1.6
195.13722	8.0
196.65938	1.7
199.14963	1.5
211.13217	41.6
213.12820	1.7
213.14777	3.7
215.14418	2.2
217.15865	1.7
227.12856	6.4
235.09669	2.6
249.14902	2.5
261.14832	3.3
267.15930	15.7
269.17462	17.1
273.14877	3.8
275.16449	3.4
277.14270	2.3
278.25626	1.6
283.15479	2.4
285.17166	8.3
287.16776	1.8
301.14197	3.1
303.16049	3.4
309.16888	2.8
321.17044	4.7
325.21225	1.9
325.29388	1.7
337.16620	1.9
339.18018	6.1
355.17554	4.4
369.24323	6.2
371.20621	2.6
377.19522	3.3
393.19089	2.2
395.20773	9.3
411.20071	3.5
413.21683	4.4
417.26425	2.3
425.26791	1.8
435.27441	4.4
443.27795	10.4
461.28925	55.8
462.29520	4.6
479.29916	16.9
495.29037	2.3
497.29544	1.7
503.29932	5.6
545.31189	5.8
551.30225	1.6
569.30957	7.2
587.32184	9.2
605.33118	16.1
623.34174	100.0
624.34662	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	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.4
51.02355	1.3
53.03941	10.2
55.01855	8.3
55.05503	27.6
57.03205	1.2
57.03427	12.2
57.07058	1.3
61.02917	2.3
61.31052	1.1
65.03931	4.2
67.05493	51.6
68.05834	1.6
68.35724	1.1
69.03056	1.5
69.03419	20.3
69.07055	18.9
71.01347	2.3
71.04980	8.9
71.22781	2.2
73.02906	2.5
79.05038	2.5
79.05482	41.8
79.47984	1.0
81.03406	100.0
81.07043	62.1
82.07394	1.7
83.04972	21.3
83.08610	21.9
85.02891	20.5
85.06525	4.5
91.05467	44.7
93.06440	2.4
93.07030	45.3
95.04958	27.1
95.08598	20.8
96.05270	1.1
97.02878	17.2
97.06512	10.7
97.10156	6.4
99.04431	5.2
99.08092	1.8
103.05511	1.2
105.07018	30.2
107.04951	8.8
107.08581	22.5
109.02869	18.6
109.06501	7.5
109.10112	6.0
111.04411	12.6
111.08067	9.5
115.05455	3.7
117.06982	10.2
119.04940	1.7
119.08567	20.8
121.06480	5.5
121.10122	15.3
123.04418	3.1
123.08071	4.6
123.11710	5.7
125.05975	1.6
125.09606	4.5
127.03900	9.0
127.07574	1.9
128.06226	1.4
129.05473	2.8
129.06995	14.0
131.04919	1.9
131.08557	18.4
133.06442	6.5
133.10110	13.4
135.04315	1.8
135.08055	3.3
135.11691	7.4
137.05949	2.0
137.09581	2.4
141.06940	2.0
142.07738	3.2
143.08565	3.8
145.06491	5.3
145.10100	8.4
147.08031	4.5
147.11665	16.4
149.05952	1.7
149.09628	5.0
149.13245	13.3
151.07549	1.2
151.11205	1.4
153.09041	1.7
153.12743	2.1
155.08577	3.2
157.06508	1.7
157.10100	11.6
159.08098	1.9
159.11612	7.8
161.09657	1.5
161.13220	1.5
163.11206	4.7
165.12738	5.7
167.08575	2.0
171.08087	1.4
171.11723	2.4
173.04515	5.7
173.05804	1.3
173.09639	2.5
173.13242	1.5
175.11142	11.5
177.12778	5.2
181.10155	1.7
181.12326	1.1
183.08026	1.1
183.11743	2.3
184.07277	1.2
185.13228	1.4
189.11244	2.7
191.10680	2.5
193.12224	29.3
195.11755	1.3
195.13829	8.6
199.05971	1.8
201.12793	1.5
207.13855	1.5
209.11725	1.7
211.13249	40.1
211.15138	2.1
213.12741	1.3
213.14777	1.9
217.15865	1.3
219.13814	1.4
227.12714	5.9
229.14320	1.7
231.13867	1.4
235.13356	2.0
239.14320	1.4
249.14885	3.7
252.45895	1.1
257.15359	1.9
261.14780	1.8
267.15894	15.2
269.17438	14.8
270.17673	1.2
273.14819	2.9
275.16452	2.6
277.14465	1.7
283.15396	1.4
285.14291	1.5
285.17218	6.1
301.14255	2.9
303.15811	5.6
309.16837	1.7
321.17017	4.2
337.16422	3.4
339.18094	5.1
351.23410	1.9
355.17471	3.8
369.24258	3.3
375.17856	1.9
377.19540	2.8
387.25278	2.0
393.18991	2.0
395.20541	5.5
411.20291	5.5
413.21411	1.8
417.25989	1.4
435.27594	1.9
443.27655	7.0
461.28915	28.5
462.28998	2.2
479.29968	18.6
480.30148	1.7
503.30185	2.8
527.30029	1.9
545.31079	3.7
549.30591	1.6
557.31403	1.9
569.31207	3.2
587.32062	7.2
605.33118	15.8
623.34180	97.9
624.34662	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	623.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.7
55.01860	6.3
55.05501	21.2
57.03437	7.5
57.07047	1.5
59.04985	1.3
61.02930	1.7
65.03934	3.0
65.09095	1.1
67.05495	45.7
69.03425	15.9
69.07064	15.2
70.97297	2.8
70.97658	2.2
71.01322	1.6
71.04980	5.8
73.02918	1.5
73.06481	1.3
73.48822	1.0
78.94175	1.3
79.05479	36.5
81.03403	76.5
81.07043	57.4
83.04963	19.2
83.08607	18.5
85.02895	14.1
85.06522	3.3
89.70252	1.1
91.05466	33.8
91.06049	1.8
93.07031	41.3
94.07382	1.6
95.04948	21.5
95.08589	18.2
97.02884	13.9
97.06506	8.7
97.10146	7.9
99.04430	4.8
99.08081	2.6
105.07018	22.6
107.04959	7.0
107.08572	20.4
109.02858	15.1
109.06503	5.1
109.10149	6.6
111.04442	13.5
111.08047	7.8
113.05985	1.6
115.05453	1.7
117.07005	11.8
119.04888	1.6
119.08558	14.5
119.53955	1.0
121.06516	7.0
121.10121	14.0
123.04480	2.5
123.08050	2.9
123.11683	4.4
125.09624	4.1
127.03873	8.9
129.05492	2.2
129.06995	8.0
130.07784	1.2
131.04898	1.3
131.08557	13.5
133.06494	3.2
133.10123	12.4
135.08026	3.4
135.11699	7.9
142.07751	2.0
143.08572	3.3
145.06494	1.9
145.10118	5.0
147.08029	2.4
147.11696	10.2
149.09602	3.3
149.13246	11.9
153.12770	2.6
155.08511	2.8
157.10094	8.4
159.11641	8.0
161.09647	1.7
163.11162	5.2
165.12746	4.3
167.08559	1.4
169.10191	1.4
171.08031	1.3
171.11621	1.9
173.04495	3.5
173.09706	1.9
173.13303	2.0
175.11145	8.6
177.12759	3.0
181.12286	4.3
183.11716	1.3
187.98450	1.5
189.11226	2.2
191.10632	4.0
193.12207	24.0
195.13805	7.9
211.13266	39.3
211.15179	2.3
213.14864	2.2
227.12749	5.4
229.13913	1.2
235.16895	1.2
249.14738	1.6
267.15918	9.7
269.17416	10.8
273.14893	1.4
283.15488	1.9
285.16946	4.8
291.99878	1.4
293.46329	1.3
301.14407	1.7
321.16959	2.0
337.16470	2.7
339.17990	3.2
355.17468	9.7
369.24310	4.7
377.19571	1.8
387.25366	2.7
393.18533	1.2
395.20569	2.6
405.25977	1.5
411.20392	3.4
417.26520	2.3
422.52911	1.3
433.29831	2.4
435.27328	2.4
443.28232	5.9
451.30399	1.3
459.28046	1.4
461.28940	28.2
479.30063	15.1
503.29883	2.3
527.29950	2.0
545.30774	1.4
569.31006	2.2
587.32147	2.9
605.33142	9.8
623.34167	100.0
624.34631	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	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27840	1.0
53.03934	5.5
55.01860	5.1
55.05504	17.4
55.32206	1.2
57.03429	9.3
57.03669	1.5
57.07063	1.7
60.30658	1.1
61.02917	21.6
62.12114	1.3
65.03918	1.5
67.05156	2.6
67.05496	40.3
69.03422	9.1
69.07060	15.3
71.01330	1.8
71.02407	1.1
71.02763	3.5
71.04978	4.6
73.02908	7.4
78.93567	1.1
79.05484	34.5
81.03407	20.9
81.07047	40.7
83.04992	7.4
83.08614	13.7
84.11692	1.3
85.02888	22.9
85.06515	3.9
91.03948	10.9
91.05468	40.5
93.07030	36.4
95.04942	11.1
95.08594	20.9
97.02885	16.4
97.06528	7.5
97.10147	6.2
99.04453	2.4
99.08048	1.8
101.43699	1.4
103.05472	2.6
105.06355	2.3
105.07014	32.5
107.04970	6.7
107.08580	16.3
108.97095	1.1
109.02845	5.3
109.06507	5.2
109.10130	9.5
111.04392	2.7
111.08067	5.4
115.05463	2.9
117.07013	24.1
119.04954	2.6
119.08571	19.2
119.39754	1.3
121.06517	6.4
121.10125	10.9
123.04401	1.7
123.08037	4.0
123.11720	2.4
125.09627	3.6
127.03890	5.1
128.06175	6.5
129.06993	27.1
131.04922	2.7
131.08549	35.7
133.06454	5.2
133.10109	14.1
135.08034	4.1
135.11656	4.8
137.09627	1.8
141.06953	9.9
141.11635	1.2
142.07729	3.8
143.08536	22.4
145.06470	8.7
145.10097	19.1
147.08034	5.1
147.11649	7.7
149.09622	6.7
149.13232	3.5
153.06985	2.5
154.07712	1.7
155.08563	16.4
156.09224	1.3
157.06508	3.2
157.10092	14.9
159.08026	4.8
159.11684	10.8
161.09610	4.1
161.13264	1.4
163.11143	3.5
165.12723	1.9
166.07770	1.4
167.08531	8.6
169.10100	12.4
171.08086	3.5
171.11664	9.9
173.09529	2.7
173.11850	1.4
173.13266	5.0
175.11140	3.2
177.12724	3.0
179.08539	3.5
181.10072	10.0
183.11705	8.5
185.09634	3.0
185.13240	5.8
187.11188	2.3
187.14806	1.6
189.12755	1.8
193.10110	3.8
193.12248	5.5
194.10779	1.8
195.11655	11.5
195.13478	1.8
197.13210	7.6
199.11205	1.5
199.14729	3.0
201.12709	2.9
203.14320	2.3
207.11621	4.3
209.13164	6.4
211.11142	3.4
211.13249	7.0
211.14877	2.9
213.12732	3.1
213.16374	2.3
214.18054	3.4
215.14305	4.9
217.12193	1.3
221.13277	7.9
223.14816	5.3
225.12758	3.0
229.14207	1.5
231.11661	1.3
231.17432	1.4
233.13263	1.7
233.15477	1.4
235.14822	4.3
237.16386	2.1
239.14366	4.1
245.15395	2.6
247.16933	1.3
249.16553	1.7
253.15796	2.5
257.15393	2.9
259.16870	1.6
267.15799	2.9
269.17474	2.7
271.16879	4.1
273.18579	1.2
285.18646	2.4
323.23657	5.3
333.18207	1.5
333.22012	9.6
341.24637	6.0
351.23148	37.1
352.23499	1.5
355.17233	1.3
359.25748	1.3
369.24185	28.8
387.25174	15.4
407.25824	1.9
411.19360	1.3
415.27515	1.5
425.27072	8.0
433.29263	1.6
443.27875	100.0
444.27930	5.8
461.28934	80.3
461.34021	1.2
462.29694	2.6
479.29739	3.6
480.29410	1.2
569.30579	1.5
587.31555	2.2
595.15918	1.5
605.32922	4.1
623.34070	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	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.7
53.03941	2.8
55.01868	4.4
55.05502	7.3
57.03424	5.7
57.07043	2.0
59.04974	0.9
61.02920	5.5
65.03914	1.4
67.05159	1.1
67.05491	17.8
68.99786	0.9
69.03118	0.8
69.03420	9.7
69.07054	5.0
70.03737	0.7
70.14275	3.3
71.01327	0.8
71.04980	4.9
73.02899	5.4
79.05039	0.9
79.05478	14.2
81.03404	20.4
81.03883	1.2
81.06555	0.9
81.07038	17.7
83.04975	5.9
83.08606	6.1
83.57573	0.6
85.02887	12.5
85.06519	2.0
87.04436	0.8
91.03938	3.1
91.05461	17.9
91.07355	0.6
93.07032	13.9
95.04954	8.9
95.08591	7.8
97.02872	9.8
97.06503	2.7
97.10144	2.5
99.04406	2.2
99.08058	1.1
103.05449	1.4
105.06355	0.8
105.07014	13.2
107.04939	6.8
107.08580	8.1
109.02872	4.9
109.06507	3.1
109.10135	5.5
111.04439	2.0
111.08054	2.2
115.03928	2.8
115.05414	0.7
117.06998	6.2
119.04914	1.2
119.08556	7.6
121.06490	4.7
121.10112	5.9
123.04399	1.8
123.08075	3.0
123.11655	1.9
125.09572	1.9
127.03900	3.9
128.06195	1.6
129.05486	0.8
129.06984	5.7
131.04907	1.4
131.08546	7.8
133.04964	3.3
133.06470	3.0
133.10112	8.1
135.08041	3.0
135.11661	3.5
137.05899	1.3
137.09599	1.5
141.06967	1.4
142.07773	1.2
143.08556	4.5
145.04915	1.7
145.06395	3.0
145.10132	4.3
147.04478	0.6
147.08049	3.8
147.11652	4.5
149.06006	0.8
149.09569	2.7
149.13242	1.6
151.11142	1.8
153.05505	0.9
155.08539	2.7
157.06381	1.6
157.10091	4.6
159.08015	2.2
159.11656	3.3
161.05907	1.2
161.09573	1.9
163.11192	1.6
165.12801	1.1
167.08539	1.1
169.10112	2.2
171.08035	3.0
171.11670	2.1
173.04422	5.2
173.05836	1.1
173.09566	2.5
173.13208	1.1
175.11183	2.3
177.12720	1.1
181.10033	1.6
183.08083	0.8
183.11711	1.6
184.07336	1.1
185.09573	1.4
185.13243	0.9
187.11214	0.7
189.12720	0.9
193.10423	0.8
193.12160	4.2
195.11653	0.9
195.13791	1.0
197.09601	0.8
197.13211	1.2
199.11174	1.4
199.14781	0.8
203.14291	1.1
209.13246	0.8
211.11348	1.1
211.13252	4.4
211.14908	0.7
213.12666	1.1
217.04926	2.2
217.12097	0.7
219.10155	0.6
221.11650	1.1
225.12851	0.8
229.14255	0.6
230.90240	0.6
231.13785	0.8
235.13188	1.1
239.14223	0.6
241.15820	0.7
245.04391	13.4
249.14879	0.8
255.13594	0.7
257.15335	0.9
267.15955	2.0
269.17499	1.7
273.03900	87.4
273.14749	1.5
274.04245	5.5
274.11847	0.6
275.16541	1.1
285.17191	0.8
287.05554	1.6
301.14304	1.8
301.17935	2.9
303.15842	2.1
305.13971	0.9
317.17661	0.7
321.16782	1.0
323.23788	0.7
329.10141	100.0
330.10522	6.6
337.16861	0.8
341.21185	0.8
341.24930	1.2
351.23071	1.5
359.22003	1.2
359.25977	0.7
369.24216	6.1
377.19650	0.8
385.23495	0.8
387.25156	2.6
395.10638	0.6
401.65945	0.7
405.26126	1.0
407.22009	1.3
411.20361	0.9
411.25220	0.9
417.26324	1.2
425.22684	1.6
425.27646	0.7
435.27530	1.4
443.28268	15.8
461.29111	56.6
462.29187	0.7
479.29654	2.3
485.29034	4.8
491.15247	1.0
495.27216	0.9
503.30072	4.6
513.27753	0.7
527.29980	0.8
551.29926	0.8
569.30994	2.0
587.32013	4.1
591.30920	0.8
605.33270	4.6
623.34021	17.0
624.32880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60209	0.2
57.22642	0.2
78.33662	0.2
80.48206	0.2
91.05447	0.3
93.07040	0.3
105.07009	0.3
121.10142	0.3
127.62036	0.2
189.24968	0.2
277.10330	0.2
281.57983	0.3
349.14667	0.3
375.16299	0.5
376.17065	0.4
389.17694	0.6
390.18405	1.1
391.19214	1.2
393.21378	0.2
400.16760	0.3
401.18076	0.3
402.19135	0.3
403.19431	0.6
404.20419	0.4
405.20911	2.5
407.22174	0.5
413.18140	0.3
414.18475	0.6
415.19138	0.8
416.20432	0.3
417.21124	1.1
418.17502	0.5
419.17725	1.5
419.23026	0.6
420.23581	1.2
421.24277	0.4
427.19293	0.4
428.20270	0.5
429.20834	2.1
431.22766	0.6
433.19824	3.5
435.21823	0.7
443.22586	1.2
444.23779	1.1
445.24115	0.8
446.17242	0.9
447.17789	7.4
448.23065	2.0
449.23492	2.4
452.22061	0.7
458.24734	0.9
459.21454	2.5
460.22537	1.3
461.19339	8.4
462.20590	0.9
463.21078	1.4
471.21759	0.7
472.22592	1.1
473.23706	1.4
474.24185	0.4
475.20923	1.2
476.22003	19.5
477.22827	3.3
479.20758	1.1
485.23618	2.4
487.25217	2.4
489.18405	1.1
491.24283	0.4
503.24402	1.7
508.24719	0.5
513.23407	0.4
515.24146	0.3
517.25903	1.3
518.23145	0.6
519.23499	1.4
521.22003	0.9
531.23834	3.6
532.24237	0.3
535.24408	0.2
545.25409	14.5
546.26147	0.9
547.26752	0.7
549.25330	0.4
559.22852	0.3
563.26447	8.3
564.27063	0.6
577.27936	0.6
591.26099	1.5
605.27289	2.6
623.28552	100.0
624.28900	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
55.85980	0.3
66.95348	0.2
67.05487	1.0
70.28171	0.7
70.28587	0.8
72.92108	0.3
74.71181	0.3
79.05484	0.9
81.07059	0.7
83.04958	0.5
91.05473	0.6
93.07011	0.3
95.08611	0.5
105.07006	0.7
107.08607	0.4
118.06543	0.5
120.08144	0.5
133.10181	0.3
135.11671	0.3
145.10114	0.4
147.11656	0.4
159.11696	0.3
175.87846	0.3
221.10785	0.4
223.67673	0.3
232.73892	0.3
237.13850	0.4
268.61862	0.3
289.17822	0.5
295.11502	0.3
326.13016	0.4
375.16318	0.4
376.17026	0.4
377.17804	0.7
387.16095	0.3
388.17227	0.4
388.72089	0.3
389.17825	0.9
390.18921	0.4
391.19196	1.1
392.19983	0.5
393.20944	0.5
396.17200	0.3
401.17474	0.6
402.18665	0.7
403.19614	0.7
404.15851	0.4
404.20413	0.7
405.16669	0.8
405.21323	2.0
406.21884	0.9
407.22385	0.9
417.17108	1.1
417.21454	0.6
418.17697	0.9
419.17609	2.2
419.22659	1.7
420.23318	0.4
421.24136	1.9
428.20505	0.4
429.17130	0.9
431.18231	0.9
431.22739	1.0
432.19171	1.4
433.20044	3.7
434.21133	1.2
435.21780	1.5
443.18777	0.4
444.19376	0.6
445.20258	2.5
446.21286	1.3
447.22809	2.9
448.23102	1.5
449.23438	4.0
456.19586	0.4
458.20950	1.2
459.21964	1.8
460.22736	0.9
461.18869	2.5
462.19821	0.7
463.21030	1.5
475.20660	1.7
476.22083	4.9
477.22815	4.3
478.23450	0.4
489.23224	1.9
490.23544	0.6
493.22385	0.5
503.24896	1.4
505.21872	0.4
508.24936	0.5
520.24390	0.5
521.22119	1.3
531.23859	0.4
533.25366	3.5
535.27545	4.0
545.25189	1.8
563.26477	18.6
564.26886	0.4
591.26141	0.7
593.27374	0.8
595.28821	1.0
605.27393	2.7
623.28558	100.0
624.28918	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
67.05488	0.8
69.07048	0.2
70.01624	0.2
75.72681	0.2
79.05463	0.6
81.03421	0.3
81.07047	0.5
83.04964	0.4
83.08595	0.3
91.05482	0.4
92.85243	0.2
93.07020	0.5
95.08589	0.3
100.19544	0.2
105.07010	0.4
107.08568	0.3
109.30564	0.2
119.08556	0.4
121.10153	0.2
128.28659	0.2
143.08522	0.2
145.10080	0.3
149.26251	0.2
159.11800	0.2
197.10786	0.2
209.10956	0.2
230.19061	0.2
275.19962	0.3
289.18048	0.5
375.16165	0.4
376.16794	0.2
377.17593	0.3
378.18155	0.3
389.17560	0.3
390.18332	0.5
391.19061	1.4
392.20108	0.9
393.20868	0.4
403.19086	0.6
404.16183	0.6
404.20529	0.5
405.16925	0.8
405.21420	1.9
406.21588	1.9
407.22223	1.6
417.16690	0.4
418.17166	1.9
419.18005	3.6
420.23468	3.6
421.23914	3.0
431.18146	0.5
432.19000	1.8
433.19937	8.4
434.20859	2.9
435.21866	0.8
445.20422	0.4
446.21002	1.0
447.21970	5.3
448.22656	4.5
449.23566	2.7
450.24158	0.2
459.22156	0.3
460.22861	0.5
461.19101	0.6
461.23959	0.7
462.20294	1.2
463.21140	2.4
465.22940	0.4
475.20453	1.5
476.21979	4.9
477.22849	6.2
478.22980	0.6
479.24539	0.7
489.22968	1.5
490.23807	0.4
491.24619	0.2
492.25650	0.3
493.21936	0.4
503.24487	1.4
504.25070	0.4
505.22424	0.8
506.23019	0.3
507.27151	0.7
508.24084	0.5
519.23840	0.5
520.24554	0.4
521.20837	1.1
531.23615	0.4
534.26385	3.2
535.27496	4.6
549.25244	0.3
563.26489	25.0
564.26910	0.9
565.24402	0.7
580.26733	0.3
591.25665	0.9
594.28503	1.1
595.29132	0.9
623.28564	100.0
624.29034	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.3
69.07061	0.2
69.61227	0.5
69.61652	1.3
77.30192	0.1
81.07040	0.3
86.94090	0.1
91.05490	0.2
93.07014	0.3
95.08594	0.3
105.07008	0.2
107.08563	0.2
121.10126	0.2
133.10178	0.2
135.11653	0.2
138.69975	0.2
157.08792	0.2
183.09300	0.2
195.09134	0.2
199.93285	0.2
209.10756	0.3
223.08742	0.2
223.12318	0.4
235.12253	0.2
237.13860	0.2
268.44879	0.2
309.12469	0.2
322.57318	0.2
375.16559	0.2
377.17664	0.4
378.19113	0.1
386.16687	0.2
387.16165	0.2
388.17261	0.4
389.17563	0.8
390.18320	0.4
391.19223	1.0
392.19989	0.4
393.20737	0.2
400.17014	0.3
401.17706	0.6
402.18692	0.8
403.14661	0.3
403.19434	1.4
404.15741	0.3
404.20163	0.7
405.16748	0.4
405.21164	1.5
406.21469	0.5
407.22415	1.1
414.18582	0.3
415.19550	1.3
416.19968	0.6
417.16968	1.4
417.20859	1.6
418.17831	0.7
418.22632	0.3
419.18271	0.7
419.22867	2.4
420.18439	0.2
420.23865	0.7
421.23895	0.5
425.67307	0.2
428.16208	0.3
429.16681	0.5
429.21802	0.9
430.16953	1.5
430.22528	0.4
431.17801	2.8
431.23135	0.8
432.19409	1.2
432.23917	0.6
433.20117	6.1
434.20932	0.7
435.21747	0.4
438.19965	0.2
443.18002	1.7
444.18982	2.0
445.19882	4.4
446.21268	2.3
447.21991	4.4
448.23022	1.0
449.23199	0.7
457.20258	0.5
458.20859	6.1
459.21780	4.8
460.22650	3.8
461.19965	0.9
462.20499	0.7
463.21106	1.9
464.22202	0.3
465.22928	0.4
471.21854	0.5
472.22592	0.6
473.23938	1.0
475.20218	0.9
476.22165	1.0
477.22928	1.9
478.23724	0.4
479.24597	0.2
485.23407	0.5
486.24365	0.3
487.24939	0.4
489.18921	0.5
489.24048	0.3
490.23639	0.4
491.24332	0.5
503.19659	0.3
503.24591	0.6
504.25082	0.6
505.22324	0.7
507.27707	0.2
517.21362	0.9
518.23035	4.1
519.23676	0.5
521.21375	1.2
530.23102	0.4
531.23907	0.7
532.25018	0.5
533.25433	7.9
534.25562	0.7
535.26703	1.2
545.25378	3.2
546.26044	0.9
549.25079	0.3
563.26471	6.1
564.26965	0.4
573.25024	1.1
577.28278	0.8
590.25031	0.3
591.26141	0.8
594.24127	0.2
605.27545	11.0
606.28113	0.5
623.28552	100.0
624.28931	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	623.2856
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.01860	0.5
55.05507	1.4
57.07061	0.4
58.85954	0.2
67.05503	1.9
69.07052	0.9
69.73914	1.7
70.14973	0.3
71.08603	0.2
73.00447	0.2
79.05482	1.5
81.07046	1.4
83.04978	0.3
83.08605	0.8
87.71095	0.3
91.05472	1.1
93.07029	1.2
95.04965	0.3
95.08585	1.0
95.45727	0.2
97.10167	0.5
105.07021	0.9
107.08578	1.2
109.10137	0.7
110.54346	0.2
115.05438	0.3
117.07027	1.1
119.08551	1.2
121.10143	0.7
125.08713	0.3
125.09618	0.9
129.06987	0.3
131.08548	0.5
133.10123	0.6
135.08051	0.2
135.11679	0.3
141.06970	0.3
143.08470	0.5
143.10684	0.3
145.06429	1.1
145.10075	0.4
147.11678	0.4
155.03278	0.2
155.08539	0.3
157.10103	0.4
159.08051	0.3
171.11658	0.4
189.11244	0.9
225.16628	0.2
227.12665	0.5
271.16895	1.9
289.17966	0.6
375.15790	0.3
375.24207	0.2
376.16855	0.4
377.17645	1.0
379.19189	0.6
389.17773	0.7
390.18585	0.6
391.19272	1.9
392.19806	0.8
393.20874	0.8
403.19055	0.5
404.15958	0.6
404.20709	0.4
405.16129	2.0
405.20938	1.3
406.17285	0.4
406.22116	0.4
407.17511	0.3
407.22360	5.0
408.23129	0.5
418.17212	1.6
419.17847	3.7
419.22894	1.1
420.18878	1.7
421.20151	1.8
432.19363	0.3
433.20197	11.4
434.20847	4.9
435.21790	6.7
445.20703	0.4
446.21719	0.4
447.18140	3.1
447.22623	1.1
448.17892	0.4
448.23236	0.5
449.23468	2.9
461.18954	3.5
462.19904	1.4
463.21133	2.1
465.23227	0.4
475.21060	2.4
476.21988	5.9
477.22815	5.0
479.20337	0.3
489.23123	2.4
490.23416	0.8
493.22415	0.9
493.26572	0.3
503.24396	1.0
505.22620	0.5
507.24249	0.5
508.24591	0.3
520.24963	0.5
521.25690	11.2
522.25946	0.5
531.23456	0.3
535.24164	1.1
548.24341	0.9
549.25104	0.6
563.26471	24.2
564.26685	1.1
565.24213	0.6
580.27332	0.5
581.27252	2.6
591.26019	0.6
595.28821	0.7
605.33807	0.3
605.42596	0.6
623.28546	100.0
623.42755	2.6
624.28790	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	623.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25275	0.3
52.74796	0.3
53.42892	0.3
55.01883	0.3
55.05503	0.5
57.90656	0.3
62.35711	0.3
67.05502	0.9
71.73476	0.6
73.21497	0.4
79.05483	0.7
81.07047	0.9
91.05479	0.8
93.07056	0.8
95.08582	0.7
105.07033	1.0
107.08574	0.6
117.07063	0.5
119.08587	0.7
125.09650	0.4
131.08511	0.4
133.10118	0.4
143.10655	0.7
145.06500	0.9
159.11632	0.4
187.09378	0.3
189.11192	0.4
191.41072	0.3
234.85677	0.4
271.16928	0.6
300.55832	0.3
312.15408	0.3
328.37415	0.3
375.15790	0.5
389.17740	2.8
390.18576	1.0
391.19110	2.3
401.17789	0.7
402.18665	0.6
403.19553	2.6
404.19809	1.0
405.20737	7.2
406.21512	1.3
416.19949	0.6
417.16461	5.9
417.21747	0.9
418.17264	2.9
419.18399	3.6
431.18359	5.4
432.19318	6.2
433.20081	9.0
434.20856	0.6
435.21704	0.5
443.18344	0.6
445.20349	2.6
446.21149	0.8
449.23444	1.1
450.24179	0.4
459.21759	1.7
461.19388	1.8
462.20361	1.1
463.20996	1.9
473.19760	0.3
475.20914	1.9
476.21918	3.6
477.23492	4.1
478.23639	0.7
489.22980	1.3
490.23849	0.4
491.24661	1.8
503.25186	0.5
504.21744	0.5
505.22256	0.6
508.24634	0.4
519.23853	23.0
520.24365	1.3
521.21826	1.1
535.26630	0.5
547.23584	0.6
563.26440	13.8
564.26617	0.8
579.25916	5.7
591.26367	0.5
605.27692	0.4
623.28534	100.0
624.28723	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75386	0.2
53.56233	0.2
54.71524	0.2
55.01848	0.3
55.05499	0.7
60.54482	0.3
61.08127	0.3
67.05504	1.4
69.07071	1.2
69.94987	0.2
70.41371	1.2
72.93449	0.2
78.41921	0.2
79.05486	1.4
81.03413	0.3
81.07047	1.5
83.04969	0.4
83.08620	0.3
87.01813	0.3
91.05464	1.0
93.07030	1.1
95.04946	0.3
95.08600	0.9
97.06546	0.3
98.21347	0.3
105.07008	0.9
107.08598	0.4
109.10147	0.3
111.80669	0.3
117.07054	0.3
119.08553	0.8
121.10157	0.4
128.03340	0.2
131.08557	0.6
133.10059	0.4
134.39423	0.3
143.08534	0.4
145.10141	0.4
159.11630	0.3
163.11156	0.3
190.17421	0.3
198.14282	0.2
236.49278	0.3
275.20029	0.9
280.11060	0.2
374.15128	0.3
387.16321	0.4
388.16531	0.4
389.17786	0.7
390.18600	0.6
391.19150	0.7
400.16721	0.4
401.17587	0.7
402.18317	1.0
403.19556	1.3
404.19989	1.2
405.21005	1.6
414.14508	0.3
415.19434	1.0
416.20105	1.1
417.17026	2.1
417.20999	1.6
418.17358	0.5
418.21942	0.5
419.22534	4.6
420.23047	0.3
429.17123	1.0
429.21744	0.4
430.17679	0.9
430.22485	0.4
431.18619	3.0
431.22897	1.5
432.19061	1.7
433.20093	2.3
435.21857	0.6
442.17654	0.5
443.18451	3.2
444.19272	1.5
445.20081	8.3
446.21060	4.8
447.22183	4.3
448.18417	0.3
449.23553	1.8
450.24442	0.3
457.20148	0.7
458.21039	1.0
459.21909	3.2
460.22763	0.5
461.18866	1.3
462.19980	1.4
463.21246	2.2
473.23590	1.2
474.24344	0.4
475.21030	1.6
476.22003	4.9
477.22791	6.4
478.23544	0.6
489.23151	1.7
490.23782	0.6
491.20053	0.5
492.25400	0.4
503.24243	1.0
505.25742	0.8
508.25018	0.4
518.23206	0.6
519.24384	0.4
521.21405	1.3
531.23840	0.5
533.25470	15.7
534.25110	0.3
535.23981	1.2
545.25531	1.0
561.24884	0.4
563.26526	17.7
564.26489	0.7
565.28229	0.4
591.26111	0.4
592.26544	0.4
593.27454	4.5
594.26556	0.5
595.29211	0.4
605.27185	1.3
623.28589	100.0
624.28857	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10233	0.2
69.07069	0.3
71.82161	0.3
79.05483	0.2
93.07041	0.3
119.08528	0.2
162.44746	0.2
181.78604	0.3
211.69971	0.2
342.59335	0.3
350.16568	0.2
361.14297	0.3
375.16299	0.4
376.16977	0.6
377.17715	0.4
389.18054	0.5
390.18518	0.8
391.19138	1.2
393.21802	0.3
403.19492	0.3
404.16000	0.5
404.20627	0.4
405.20786	3.0
406.21066	0.3
407.22440	0.3
413.17630	0.4
415.19263	0.9
416.19995	0.5
417.21048	0.4
418.17978	0.7
419.18127	1.7
419.23407	0.4
420.23679	1.1
421.24014	0.5
428.20084	0.6
429.20911	2.3
430.21732	0.4
431.18445	0.3
431.22900	0.4
432.15567	0.4
433.20007	4.2
435.21860	0.5
443.22678	1.4
444.23639	1.2
445.19223	0.4
445.24207	0.9
446.17493	0.9
447.17844	7.9
448.22928	2.8
449.23486	2.8
452.22070	0.5
456.19604	0.3
457.24612	0.4
458.24771	0.9
459.21194	2.4
460.22855	1.1
461.19165	6.8
462.20331	1.3
463.21301	1.0
470.21265	0.4
471.21762	0.7
472.22491	1.5
473.23395	2.0
474.24399	0.3
475.20969	1.3
476.22043	22.0
477.22711	3.6
479.20612	1.4
485.23209	2.4
486.24405	0.4
487.25403	1.8
488.21826	0.3
489.19550	1.0
491.23672	0.3
493.21997	0.4
503.24896	1.8
507.27811	0.3
517.26324	1.8
519.23682	2.0
521.21704	0.6
531.23889	3.5
535.26550	0.4
545.25439	14.5
546.25977	1.0
547.27155	1.1
549.24817	0.3
563.26404	9.1
564.27393	0.4
573.25092	0.4
577.28070	0.3
591.25885	1.4
605.27454	2.8
621.30560	0.3
623.28552	100.0
624.28931	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53824	0.4
61.58633	0.3
65.79726	0.4
69.64886	3.0
96.94176	0.4
100.80077	0.4
110.35247	0.3
146.07693	0.4
148.61882	0.4
209.10686	0.4
235.12357	0.4
237.13832	0.6
238.14612	0.5
243.62219	0.4
314.12732	0.4
376.17200	0.7
377.17639	1.1
378.18527	1.2
386.15610	0.7
388.17874	0.7
389.18311	1.1
390.18591	1.3
391.19232	3.5
392.19815	2.7
393.20737	1.7
399.16257	0.7
400.16730	1.2
401.17657	2.3
402.19385	0.7
403.19516	1.7
404.20483	1.3
405.20932	4.6
406.21490	4.9
407.22278	13.1
412.17346	0.7
413.17719	2.3
414.18353	2.7
415.19189	4.5
416.19986	1.6
417.21179	1.0
418.22174	1.0
419.17972	1.1
419.22330	1.6
420.23294	2.3
421.23810	11.7
422.24619	2.7
427.19073	2.1
428.20105	3.3
429.15567	0.7
429.20810	12.6
430.21893	2.7
431.22684	1.1
432.19354	1.0
433.15265	0.6
433.19986	1.5
433.24261	1.3
435.25891	0.7
440.15930	0.5
441.21109	0.7
442.21744	2.0
443.22604	6.9
444.23563	4.3
445.19641	2.5
447.18048	1.6
449.23114	0.6
452.21942	0.7
455.18552	1.5
456.19427	1.5
457.24887	3.4
458.24805	6.5
459.21619	7.4
460.22928	2.1
461.18909	4.5
462.20038	2.2
463.21207	0.9
470.20908	1.5
471.21753	2.1
472.22623	6.8
473.18259	0.5
473.23215	2.1
474.20471	1.1
475.21222	5.6
476.21524	4.3
477.22644	3.5
478.23792	0.4
483.18121	0.6
484.19131	1.2
485.23502	13.9
486.20023	1.9
486.24249	2.1
487.21249	1.3
488.21945	2.0
489.22885	3.5
490.24048	0.5
493.26154	0.8
499.21237	4.3
500.21964	1.8
501.22601	0.5
502.23526	1.1
503.24399	6.6
504.24460	0.7
505.24719	0.4
507.23477	0.7
508.28348	1.1
513.22791	3.7
514.23639	1.4
515.24292	0.8
517.26251	7.2
518.23566	0.6
521.25281	0.9
529.25983	1.8
530.22791	0.6
531.23395	0.9
535.27069	4.7
545.25427	75.0
546.25751	1.9
547.27356	0.5
562.25751	0.6
563.26880	0.8
564.27386	1.6
573.24866	18.1
591.25995	1.5
605.27496	83.1
606.27875	3.1
623.28571	100.0
624.28918	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	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91293	0.4
52.35747	0.4
55.01851	0.7
55.05498	1.6
57.03419	0.6
67.05490	3.0
69.03410	0.5
69.07053	1.5
69.92941	0.5
71.79514	0.8
78.49594	0.4
79.05489	2.9
81.03398	1.4
81.07051	3.8
83.04969	0.7
83.08586	0.6
91.05466	2.6
93.07018	3.0
95.04965	1.3
95.08607	1.8
97.06516	1.0
97.10162	0.5
105.07009	2.5
107.08560	2.2
109.06476	0.5
109.10147	1.2
114.27224	0.4
117.06990	1.1
119.08555	1.6
121.06435	0.6
121.10178	1.1
123.08060	0.6
125.09633	0.7
131.08543	1.6
133.10126	1.4
135.11658	0.7
137.09607	0.5
141.07100	0.6
143.08539	1.1
145.10110	2.0
147.11693	1.3
155.08519	1.0
157.10078	1.0
159.11739	1.0
163.11157	0.7
169.10086	0.7
171.11688	0.6
173.13335	0.6
177.14218	0.4
183.11696	0.9
184.07286	1.0
193.12361	0.5
238.18268	0.6
257.19046	0.6
275.20139	1.6
285.29788	0.5
336.15024	0.5
375.16766	0.5
376.16821	0.5
377.17508	1.5
379.18848	0.6
387.16281	0.8
389.18008	1.2
390.18658	0.6
391.19177	1.9
392.19913	1.9
393.20773	1.5
399.16034	1.1
400.16910	1.2
401.17694	2.2
403.19174	1.2
405.16238	0.7
405.20709	1.7
406.21390	0.7
407.22229	2.8
413.17435	1.4
414.18387	1.5
415.19348	2.7
416.20032	1.3
417.16513	0.8
417.21552	0.9
419.18790	2.3
420.23444	0.6
421.20236	1.5
427.19049	1.2
428.20276	0.7
429.20731	1.6
430.21609	1.1
431.18472	1.0
432.19910	0.7
433.15945	1.0
434.20889	0.6
435.21594	1.3
441.16971	0.5
443.22263	1.8
444.19266	1.6
445.20364	0.8
446.20956	1.3
447.17343	3.9
448.18750	1.4
449.19153	0.7
457.20764	1.0
458.21387	0.8
459.18018	1.6
460.18930	0.8
461.19604	3.0
462.20441	1.3
463.21222	1.7
471.22702	3.1
472.22647	0.5
473.19028	2.3
474.20526	2.1
475.16745	1.1
475.21457	2.0
476.17862	0.7
483.21390	0.5
485.19815	2.2
486.20355	1.8
489.22601	4.4
490.19186	3.9
491.20575	2.5
493.22333	0.8
499.21301	10.0
500.22769	0.8
501.23700	2.8
502.20010	0.9
503.20734	3.1
507.23572	1.5
508.24646	0.8
511.21304	0.9
513.19293	3.4
514.19635	1.1
516.20959	0.8
517.22369	13.2
518.22058	1.6
527.20782	1.9
528.21356	0.7
529.22369	6.3
531.20154	2.8
535.23035	2.6
545.21796	18.3
546.22266	1.3
555.20020	0.8
563.21906	2.1
564.23529	1.8
573.21246	5.8
577.24634	2.7
591.22424	3.4
595.25439	0.9
605.23889	35.0
605.39874	1.1
606.24237	1.5
623.24890	100.0
623.42505	6.0
624.25140	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	623.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01867	1.0
55.05505	4.8
57.03417	0.9
57.07074	0.5
57.29496	0.4
67.05498	7.9
69.07058	3.0
71.04976	0.6
71.36823	0.5
71.37150	0.7
79.05483	5.9
81.03404	5.8
81.07046	7.4
83.04971	1.1
83.08610	2.5
85.06537	0.5
85.76062	0.4
91.05476	6.3
93.07030	6.2
95.04935	2.4
95.08601	4.3
97.02901	1.0
97.06515	0.7
97.10140	2.6
103.05475	0.5
105.07015	4.8
107.04962	1.3
107.08577	4.2
109.06523	0.9
109.10143	2.7
111.08097	0.4
113.30016	0.4
115.05429	1.0
117.07005	2.5
119.08551	3.3
121.06529	0.5
121.09307	0.4
121.10117	2.0
123.08051	0.5
123.11700	0.5
123.28246	0.4
125.09624	1.7
128.06212	1.1
129.06973	2.4
130.77328	0.4
131.08534	3.0
132.08002	0.5
133.10132	2.4
135.08034	0.8
135.11710	1.4
141.06973	1.1
142.07762	0.7
143.08545	2.4
145.06448	0.9
145.10097	2.9
147.04457	0.6
147.08087	0.6
147.11690	1.0
149.09587	0.5
149.13214	0.8
153.07021	0.5
155.08536	1.5
157.10094	2.3
159.08089	0.7
159.11700	1.6
160.05220	0.9
161.05998	1.2
161.09595	1.0
161.13316	0.7
163.11182	0.7
167.08601	1.1
168.09346	0.4
169.10155	1.5
171.07953	0.5
171.11671	1.6
173.05991	1.2
173.13306	0.9
179.08577	0.5
180.09369	0.4
181.10130	0.9
183.09113	0.6
183.11690	2.1
185.13251	1.0
187.07617	0.5
187.14775	0.7
189.11249	0.8
191.07182	0.5
193.10181	0.7
195.11641	1.2
197.13292	1.0
209.10783	0.8
209.13235	0.9
211.14783	0.8
213.12579	0.5
221.13242	0.6
223.12347	0.5
223.14847	0.9
225.16418	1.0
227.12805	1.2
235.14888	0.5
237.10149	0.5
240.27032	0.4
241.19366	0.5
249.10370	0.5
257.19025	0.5
259.20682	0.5
263.11862	0.4
271.13354	1.1
271.16910	0.5
273.14700	0.7
275.20132	1.0
289.14343	0.5
291.19687	1.7
298.13275	0.5
324.14807	0.5
347.18411	0.5
352.14407	0.6
362.15417	0.6
363.16074	1.1
375.16803	0.5
376.16940	0.9
377.17548	2.8
378.18594	1.3
379.19177	0.7
379.29898	1.0
384.14551	0.6
386.15424	0.8
387.16159	1.2
388.17422	1.0
389.18088	1.2
390.18713	1.0
391.14835	0.7
391.19424	2.7
392.19925	1.7
393.20749	3.5
399.16232	0.9
400.17239	1.2
401.17874	2.9
402.18427	0.7
403.19547	0.7
404.16153	0.6
404.20508	0.6
405.16895	2.0
405.21591	2.0
406.17416	0.6
406.21979	0.7
407.22562	2.8
412.17117	0.5
413.17609	1.7
414.18427	1.7
415.19449	4.0
416.19894	1.3
417.16489	1.0
417.21106	1.2
418.17471	0.9
419.18372	3.9
419.23474	0.7
420.19272	1.3
421.20105	3.6
427.19492	1.0
428.20468	2.6
429.21524	2.8
430.21466	1.6
431.18661	1.0
432.19595	1.0
433.15869	0.9
433.20389	1.6
435.22324	2.0
436.22595	0.5
441.16476	0.9
442.17801	0.7
443.17871	1.3
443.22437	2.7
444.19235	2.8
445.20221	1.9
446.21497	0.9
447.17432	4.3
448.18427	2.5
449.19684	2.7
450.20142	0.7
456.19394	1.2
457.20361	1.3
458.21466	1.9
459.18271	1.6
460.18985	0.8
461.19189	2.6
461.29233	0.6
462.20474	2.0
463.20752	2.5
463.36542	0.5
471.22281	6.5
472.18375	0.8
472.23578	0.5
473.18283	2.3
473.23978	1.5
474.20245	2.0
475.16751	1.2
475.21463	2.3
476.18539	1.6
477.19418	1.8
479.24448	0.5
483.22281	0.9
484.19260	0.7
485.19955	2.4
486.20523	3.2
488.22812	0.6
489.23917	4.1
490.19391	3.8
491.19949	2.9
493.22290	0.7
499.21317	14.7
500.18924	1.4
500.22113	1.2
501.23172	4.9
503.20670	5.2
504.20963	0.5
507.24371	3.2
508.24545	0.9
511.21158	0.7
513.19586	1.0
514.19800	1.8
516.22125	0.8
517.22253	10.0
518.22614	1.7
525.35791	1.8
527.21069	3.0
529.22321	9.8
531.19781	0.9
531.38318	0.7
535.23480	5.7
536.23608	1.2
545.21808	31.9
546.21899	2.5
549.39856	0.6
555.20355	1.4
563.22681	10.7
564.23175	2.6
573.21301	9.6
574.21643	0.6
577.24609	1.0
591.22772	0.8
595.25403	1.8
605.23877	68.6
605.41510	3.3
606.24213	3.8
623.24921	100.0
623.41602	15.4
624.25116	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	622.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.4
71.78451	0.5
72.08141	0.5
85.02898	1.0
87.43147	0.5
91.05482	1.3
97.02872	0.7
98.97556	1.3
116.98554	0.7
117.03357	1.0
119.04945	2.7
123.04416	1.2
127.03823	0.5
135.04396	1.9
136.06166	100.0
139.03880	0.7
145.02820	1.2
145.04939	0.5
146.99673	0.8
147.04379	8.2
147.05469	0.7
148.04713	0.8
161.01299	0.6
163.03880	12.0
164.04210	1.4
186.04382	0.6
189.00658	0.6
203.02405	0.4
219.01779	0.9
237.00670	0.8
237.02806	1.5
255.01656	0.8
268.10367	29.7
359.76239	0.5
422.03659	0.5
531.07361	0.5
622.16852	0.9
623.14648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1978
Annotation	Lethedioside A
Peak:m/z	Relative Intensity
50.59675	0.2
53.03913	0.8
55.01867	2.3
55.05497	2.2
57.03429	3.8
57.07058	0.3
59.04985	0.4
61.02927	2.3
65.03909	0.6
67.05495	6.6
69.03419	4.4
69.07050	2.0
70.67297	0.2
70.67645	0.5
71.01315	0.7
71.04987	1.6
73.02536	0.3
73.02906	3.9
79.05481	4.3
80.05811	0.2
81.03402	6.7
81.07048	5.7
82.03720	0.3
82.07378	0.2
83.04971	1.4
83.08601	1.5
85.02894	7.8
85.06509	0.6
87.04412	0.7
87.77289	0.2
91.03917	0.8
91.04947	0.3
91.05468	5.3
93.07035	4.8
95.04955	2.8
95.08592	5.7
97.02886	4.6
97.06502	1.0
97.10133	0.8
99.04429	0.9
103.03901	0.7
103.05415	0.4
105.06378	0.2
105.07022	4.2
106.07325	0.2
107.04339	0.2
107.04947	2.0
107.07938	0.3
107.08580	3.0
108.40979	0.2
109.02854	1.5
109.06505	1.0
109.10139	1.8
111.04451	0.9
111.08047	0.5
113.00989	0.2
113.05932	0.3
114.38437	0.2
115.03914	2.5
115.05421	0.4
117.07008	1.8
117.56977	0.2
119.04893	0.5
119.07882	0.2
119.08572	2.0
121.06495	1.2
121.10128	1.4
123.04430	0.5
123.08054	3.0
123.11666	0.8
125.09612	0.6
127.03204	0.2
127.03921	2.0
128.06190	0.4
129.05461	0.2
129.06975	1.4
131.04889	0.5
131.08560	2.5
133.04964	3.3
133.06470	1.1
133.10118	2.5
135.08003	0.6
135.11627	0.9
137.05920	0.2
137.09604	0.4
139.03845	0.3
141.06924	0.5
142.07710	0.5
143.08548	1.0
145.04953	1.3
145.06422	0.7
145.10085	1.4
147.04381	0.3
147.08055	1.0
147.11682	1.5
149.05962	0.4
149.09566	0.6
149.13213	0.4
151.11134	0.3
153.05347	0.2
155.08549	0.9
157.06442	0.5
157.10103	1.0
159.08063	0.9
159.11722	1.0
161.06001	0.2
161.09587	0.5
161.13150	0.3
162.06685	0.2
163.11188	0.4
165.09018	0.3
165.12727	0.4
167.08583	0.3
169.10081	0.7
171.08022	0.8
171.11638	0.6
173.04456	1.9
173.09584	0.8
173.13205	0.3
175.11145	0.7
177.12697	0.3
181.10129	0.3
183.08026	0.2
183.11699	0.4
185.09564	0.3
185.13290	0.3
189.05396	0.2
189.12778	0.4
191.10623	0.4
193.12257	1.0
194.12585	0.3
195.11693	0.2
197.09619	0.4
197.13249	0.3
199.14772	0.2
201.12698	0.3
211.11356	0.3
211.13210	1.3
211.14989	0.2
213.12639	0.3
217.04955	1.8
225.12830	0.2
229.12196	0.2
231.02855	0.3
239.14368	0.3
245.04428	14.5
246.04852	0.2
249.14870	0.2
259.05746	0.2
259.16757	0.2
261.03864	0.9
267.15933	0.7
269.04196	0.2
269.17441	0.6
271.16812	0.2
273.03897	93.4
274.04205	2.5
283.13162	0.2
285.03955	0.4
285.17154	0.4
287.05444	2.1
293.08151	0.2
296.06812	0.4
301.14236	0.5
303.15598	0.3
311.09103	0.6
315.04846	0.5
329.10150	100.0
330.10495	3.4
337.17014	0.2
339.18567	0.2
341.09979	0.5
341.17474	0.3
351.23221	0.5
353.10202	0.3
369.20459	0.2
369.24225	2.3
371.11215	0.6
375.18057	0.5
387.25226	0.8
395.11188	0.6
401.27087	0.2
405.25909	0.3
407.11191	0.2
407.22144	0.4
417.26218	0.4
420.94540	0.2
425.12164	0.6
425.23065	0.6
425.27798	0.2
433.29419	0.4
435.27234	0.2
443.28226	3.6
461.15363	0.9
461.29114	14.3
473.14459	0.3
477.27258	0.3
479.29898	0.7
485.28879	1.4
491.15625	1.2
495.27487	0.2
503.29819	1.2
527.29657	0.5
551.30048	0.5
569.30994	0.7
587.31842	1.2
605.32965	1.6
623.33905	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	621.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90892	0.6
53.03938	7.6
55.01863	5.6
55.05247	1.2
55.05502	19.5
57.03429	9.2
57.07047	1.5
65.03922	2.9
67.05496	29.9
69.03061	1.3
69.03410	14.0
69.07063	8.0
71.01329	1.6
71.04988	6.7
73.02889	1.1
77.03897	1.0
79.05482	32.0
79.75122	0.7
81.03406	100.0
81.07045	32.0
81.53255	0.6
82.03753	1.0
83.04971	13.9
83.08605	22.2
85.02895	20.4
85.06529	2.2
91.05470	36.6
93.07031	19.5
95.04956	33.7
95.08592	11.7
97.02883	13.2
97.06521	5.4
97.10150	8.5
98.21452	1.3
99.04433	3.7
99.08081	1.4
103.03957	0.7
103.05459	2.4
105.03407	0.8
105.04500	0.9
105.07015	25.2
107.04939	14.5
107.07954	0.4
107.08585	12.3
109.02865	26.1
109.06506	6.4
109.10145	4.1
111.04447	9.1
111.08061	8.0
113.05961	1.4
115.05474	2.4
117.06989	7.5
119.04932	2.8
119.08568	19.9
121.02833	1.4
121.06499	7.6
121.10122	9.7
123.04388	4.6
123.08076	2.8
123.11674	2.8
124.35740	0.6
125.02308	4.4
125.05971	1.0
125.09626	5.7
127.03912	7.8
128.06206	2.9
129.05505	0.7
129.06984	15.4
131.03418	1.0
131.04865	4.5
131.08551	14.2
131.09470	1.0
133.06488	6.6
133.10117	11.4
135.04361	0.7
135.08037	4.3
135.11662	3.2
137.02332	0.6
137.05972	3.1
137.09627	1.9
141.07010	2.4
142.07785	2.9
143.08556	4.6
145.06470	5.5
145.10101	6.2
147.04408	2.4
147.07986	5.3
147.11656	16.6
149.05975	2.9
149.09575	6.2
151.07501	0.9
151.11108	1.5
153.06931	0.7
153.09126	1.8
153.12730	1.2
155.08524	3.0
157.06471	3.0
157.10112	12.3
159.06801	0.7
159.08000	3.1
159.11705	2.6
160.05017	0.6
161.05986	2.9
161.09612	2.7
163.11143	6.1
165.05562	1.1
165.06903	1.0
165.12712	3.7
167.08540	1.4
169.10170	1.3
171.08051	2.7
171.11700	2.6
173.04463	5.3
173.06007	1.9
173.09630	2.8
174.06725	1.1
175.03912	0.8
175.07607	1.0
175.11171	11.4
177.05455	0.8
177.12732	1.0
181.10147	1.3
181.12251	2.3
183.08073	1.1
183.11774	0.7
185.05914	0.9
185.09619	1.2
185.13245	1.1
187.07542	1.8
187.11182	1.1
189.05489	2.6
189.09236	0.9
189.11206	2.5
189.12756	2.0
191.09030	0.6
191.10701	2.6
193.12212	32.9
194.12608	1.2
195.11751	0.9
197.09676	0.9
199.07597	1.0
199.11206	1.1
201.05568	0.8
201.09097	0.7
203.14354	0.8
205.12241	1.9
207.13803	1.5
209.11624	0.7
209.13423	0.8
211.13260	41.6
212.13628	1.9
213.09302	0.8
213.12694	2.0
217.12323	1.2
223.13332	1.5
227.12538	3.8
227.14650	1.0
229.12247	0.9
229.14323	1.1
231.13873	1.8
233.15379	1.0
233.33580	0.8
235.13153	3.3
237.12807	1.9
241.12256	1.0
243.13814	1.1
247.13365	1.3
249.14949	2.0
255.13818	2.6
257.15518	1.4
259.13434	1.8
260.53476	0.7
261.14905	0.8
267.15839	12.6
271.13284	1.4
273.14780	9.2
274.15332	0.8
277.14362	2.2
283.13208	2.1
283.15729	0.9
285.17010	11.3
289.14319	2.3
291.15897	2.1
301.14270	10.6
302.14798	0.9
303.15918	2.0
309.16974	1.0
313.16348	1.0
319.15408	6.4
329.17593	0.9
337.16376	4.5
339.23108	0.8
347.18454	0.8
355.17667	2.7
357.16983	1.5
357.24435	0.9
363.18039	1.0
367.22699	2.4
375.18002	4.9
385.23984	3.4
393.19073	6.3
403.24841	1.9
411.19833	3.3
421.25696	0.8
423.25400	0.8
431.28488	0.7
441.26440	1.9
459.27402	9.4
475.25055	0.8
477.28494	7.3
483.27377	1.0
493.26337	1.1
495.29489	8.1
501.28244	1.3
511.27069	0.8
513.28284	0.8
539.30225	0.7
543.29352	1.9
555.30127	1.0
557.30591	1.4
567.29468	2.2
573.30316	4.2
585.30377	10.0
586.30359	1.0
593.02930	0.7
594.79034	0.8
603.31598	15.6
604.31976	1.4
621.32611	71.5
622.32916	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	621.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.4
55.01867	6.0
55.05501	17.1
57.03434	8.1
59.04990	1.3
60.01670	0.8
65.03928	2.3
67.05138	1.6
67.05493	30.0
67.97123	0.9
68.69057	0.7
68.97868	0.8
69.03050	1.3
69.03408	14.1
69.07059	8.8
71.01338	1.5
71.04980	7.2
73.02903	1.9
79.05478	29.6
81.03403	100.0
81.07041	36.0
82.03728	0.9
83.04962	19.1
83.05421	1.6
83.08604	19.3
85.02892	18.8
85.06524	2.3
87.04444	1.0
91.05464	39.0
93.07028	24.8
95.01318	1.2
95.04951	34.1
95.08600	14.4
97.02876	16.8
97.06516	6.5
97.09538	1.1
97.10135	7.9
99.04434	4.2
99.08081	1.4
103.03901	1.5
103.05483	1.7
105.04536	1.0
105.07013	30.8
107.04926	15.1
107.08575	12.1
109.02858	22.5
109.06496	7.4
109.10112	5.1
111.04433	9.9
111.08067	10.7
113.06022	2.2
115.05441	3.7
117.07011	7.9
119.04942	3.1
119.08555	20.5
121.02875	0.9
121.06496	8.6
121.10108	12.7
123.04379	5.5
123.08073	3.4
123.11681	4.1
125.02351	2.5
125.06016	1.8
125.09610	6.2
127.03904	12.0
128.06223	1.7
129.05464	1.3
129.06979	15.7
131.04915	3.2
131.08545	15.2
133.06462	7.2
133.10104	16.4
135.04430	2.1
135.08012	4.9
135.11678	3.5
137.05872	1.7
137.09618	2.3
139.03932	0.9
141.07014	2.4
142.07771	3.0
143.08549	4.1
145.06479	4.9
145.10109	7.1
147.04404	3.7
147.08046	5.5
147.11662	19.3
149.05956	3.4
149.09605	7.7
151.03899	1.3
151.07475	1.5
151.11139	1.7
153.09135	1.4
153.12750	1.9
155.08553	3.8
157.06485	2.9
157.10109	13.4
159.08025	2.7
159.11705	2.3
161.05942	4.4
161.09624	2.8
163.07504	1.7
163.11188	7.2
163.19754	1.0
165.05496	1.2
165.12772	5.2
167.06888	1.0
167.08472	1.1
169.10139	2.4
171.07997	2.0
171.11667	2.2
173.04463	7.3
173.05943	2.2
173.09613	1.9
175.07617	1.0
175.11156	12.1
177.05530	1.4
179.03424	3.1
181.10092	1.1
181.12193	2.0
183.08089	1.8
183.11708	2.1
185.05940	1.0
185.09612	1.1
185.13295	1.5
187.07573	1.7
187.11092	2.0
187.14738	1.0
189.05484	2.6
189.09300	1.2
189.11214	2.6
189.12752	1.8
191.10693	3.6
193.12206	37.1
194.12646	1.2
195.11752	1.1
197.09618	1.1
199.07559	1.0
199.11252	1.8
203.14395	1.1
205.12285	1.2
208.08719	0.9
209.11653	1.1
211.13255	41.8
212.13615	1.0
213.09106	1.3
213.12668	1.3
217.12260	1.8
219.13727	1.0
223.13292	2.1
227.12537	5.4
229.12224	1.5
229.14333	2.3
230.00497	1.2
231.13843	2.4
235.09564	4.0
235.13396	2.8
237.12939	1.6
247.13297	1.6
249.14891	3.2
255.13750	1.8
257.04431	1.4
257.15396	1.1
259.13309	2.0
265.14429	1.2
267.15903	17.5
271.13318	1.4
273.14783	10.5
277.14401	1.2
283.15646	1.9
285.17065	9.4
289.14355	1.8
291.15833	2.7
301.14240	13.7
303.16037	1.9
313.16528	0.9
319.15356	8.1
321.16928	1.2
329.17044	1.1
337.16446	4.9
349.21964	1.1
355.17578	3.4
357.20679	3.1
357.24475	1.1
367.22540	3.1
372.22162	0.9
375.18005	4.9
385.23535	3.1
393.18930	7.0
403.25049	2.1
411.19876	2.3
421.25613	1.2
433.25635	0.9
441.26410	3.8
459.27432	12.2
475.24908	1.1
477.28317	8.8
493.25946	1.3
495.29443	5.8
501.20709	0.8
501.28397	2.4
511.27161	1.6
519.29321	1.1
525.27942	1.2
529.27875	2.2
543.30078	1.9
555.29352	1.3
557.31274	2.4
567.29590	2.6
573.30438	3.3
585.30426	10.6
591.32025	1.9
603.31482	17.4
621.32642	80.8
622.32715	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.78004	0.3
53.03921	0.3
55.05499	0.6
56.21555	0.3
64.86887	0.2
67.05492	1.3
69.07047	0.5
71.81493	0.3
79.05495	0.9
81.03432	0.3
81.07039	0.8
81.27750	0.2
85.02938	0.3
91.05475	0.7
93.07034	1.1
93.90940	0.3
95.04943	0.5
95.08616	0.8
97.10136	0.3
105.07047	0.7
107.08572	0.6
107.45703	0.2
109.06501	0.3
109.10168	0.4
117.06985	0.5
119.08585	0.4
131.08577	0.4
133.10126	0.7
159.11674	0.3
275.20096	0.3
300.15210	0.2
363.16254	0.4
372.14749	0.2
373.14532	0.3
374.15381	0.4
375.16217	0.6
376.17444	0.5
387.16351	0.3
388.16791	0.8
389.17538	2.4
390.18307	1.0
391.19257	0.6
401.17896	0.8
402.18536	1.2
403.19406	3.8
404.19968	1.7
405.20795	2.0
406.21661	0.3
415.19193	0.8
416.16022	0.8
416.20605	0.5
417.16119	3.3
417.21127	1.5
418.17615	0.9
418.22195	0.6
419.22366	6.5
420.22998	0.9
429.16513	0.5
429.21417	0.3
430.17944	0.9
431.18085	7.0
432.19022	2.6
433.20023	2.0
443.18680	0.6
444.19693	0.7
445.20032	6.3
445.29208	0.3
446.21033	5.6
447.21762	8.2
448.22266	0.6
459.17145	0.6
459.21960	1.6
460.18210	0.4
460.23126	0.4
461.19815	1.2
462.20761	0.3
463.21487	0.3
473.19357	0.9
473.23615	1.1
474.20242	5.7
475.21222	7.2
476.21844	0.3
477.22949	0.5
487.21381	2.9
488.21942	0.5
491.19870	1.3
501.22751	1.7
502.23709	0.4
504.22055	0.3
505.22577	0.3
505.27103	0.4
506.22437	0.3
518.23273	0.6
519.20844	0.4
529.22137	0.7
533.25446	14.4
534.25757	0.7
546.22455	0.4
561.24927	22.1
562.25403	1.0
575.13177	0.3
589.24579	0.7
593.27386	3.5
594.27704	0.3
621.26971	100.0
622.27368	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	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05436	0.2
69.06980	0.2
81.06982	0.3
95.08537	0.2
105.06948	0.3
107.05888	0.2
118.65959	0.2
147.11668	0.2
169.07483	0.2
170.01326	0.2
206.02786	0.2
207.09032	0.2
223.12239	0.2
258.11829	0.2
310.13327	0.2
333.39386	0.2
362.16055	0.3
373.14529	0.5
374.15195	0.3
375.15945	0.8
376.16843	0.3
383.14612	0.3
387.15958	0.6
388.16663	0.8
389.17599	2.2
390.18512	1.0
391.19153	0.7
399.16367	0.2
400.16989	0.2
401.17743	1.0
402.13788	0.2
402.18726	1.3
403.15271	0.4
403.19382	3.1
404.19974	2.3
405.20697	1.4
413.17371	0.4
414.18332	0.4
415.14871	0.4
415.19351	0.6
416.15924	0.7
416.19946	0.7
417.16769	1.7
417.20761	2.3
418.16675	0.3
418.22281	1.1
419.22372	4.5
420.22974	0.9
427.19162	0.3
429.16339	0.3
429.21005	0.6
430.17841	0.8
430.22598	0.3
431.17740	3.2
431.22812	1.4
432.18600	1.3
433.19815	1.0
435.21817	0.3
437.71472	0.2
441.20831	0.3
442.21390	0.2
443.18381	0.5
444.19785	0.4
445.15131	0.4
445.20572	4.0
446.21008	3.2
447.16235	0.3
447.21823	5.5
458.21301	0.4
459.18103	3.1
460.18967	1.0
461.19495	2.2
472.18381	0.2
473.19714	1.5
473.24585	0.4
474.20355	7.3
475.21249	12.8
476.21420	0.6
478.23724	0.2
486.20111	0.3
487.21335	3.0
488.21942	1.2
490.23837	0.2
491.19968	0.2
491.25003	0.5
492.25311	0.2
501.22888	2.9
503.20322	0.3
504.23508	0.2
505.26636	1.5
517.22028	0.2
518.22931	0.7
519.20355	0.7
529.22687	0.9
532.24036	0.4
533.25531	7.5
534.25677	0.3
543.23193	0.2
546.22552	0.7
547.23029	0.3
561.24902	34.4
562.25336	1.5
565.28003	0.6
589.24573	1.1
593.27704	0.7
621.27002	100.0
622.27264	3.3
622.36664	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37501	0.4
56.80114	0.4
62.25261	0.4
66.70419	0.5
70.24790	1.5
70.25205	1.1
82.98758	0.4
88.52754	0.5
125.19791	0.5
132.23651	0.5
209.10738	0.6
219.09068	0.5
221.10539	0.6
233.10712	0.5
374.15140	0.7
388.16870	0.9
389.17651	4.0
390.18158	2.2
391.19269	1.0
401.17865	1.1
402.18375	1.6
403.19266	6.3
404.19928	2.6
405.20493	1.9
415.19296	0.9
416.15643	1.1
416.20401	1.0
417.16907	4.4
417.20898	3.1
418.16833	0.7
418.21564	1.5
419.22287	9.4
430.17661	1.5
431.18124	8.8
432.19070	2.9
433.20160	2.0
445.20197	7.9
446.20898	5.9
447.21719	10.8
459.17685	1.9
459.22607	1.3
460.18289	0.7
473.18967	1.4
473.24268	0.8
474.20300	10.6
475.21222	16.2
476.21387	1.8
487.21304	4.1
488.22003	1.7
501.22684	2.5
503.21008	0.6
505.25665	1.7
506.22430	0.5
520.24139	0.7
529.22131	0.9
533.25482	12.9
534.25568	0.7
546.22333	1.3
561.24884	76.8
562.25531	4.1
589.24341	1.6
593.27460	3.4
621.27002	100.0
622.27258	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	621.2696
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.26339	0.3
70.08353	1.7
70.08751	1.0
93.75954	0.3
98.20700	0.4
139.02867	0.3
182.50847	0.4
375.15976	1.4
376.17075	0.4
387.16052	0.7
388.16690	1.0
389.17667	2.9
390.18481	1.4
391.19077	1.1
401.18051	0.6
402.18658	0.7
403.19394	4.3
404.20273	1.8
405.20615	2.5
410.13623	0.4
415.19501	0.8
416.15732	0.7
416.20456	0.6
417.16202	3.7
417.21066	1.9
418.21698	1.3
419.22360	6.5
420.23053	0.6
430.17499	1.0
431.18060	7.2
431.23529	1.0
432.18823	2.7
433.19983	2.7
444.19312	0.5
445.20148	5.4
446.20859	4.6
447.21759	8.6
448.22485	0.5
459.17108	0.8
459.21808	2.6
460.18262	0.8
460.23584	0.5
461.19427	0.8
473.19632	1.3
474.20187	5.8
475.21295	7.6
487.21338	3.1
488.22147	0.5
491.21152	1.3
501.22870	1.3
505.25974	0.8
518.23523	0.5
533.25421	14.5
561.24921	20.8
562.25378	1.1
589.24268	1.1
593.27478	3.0
621.27014	100.0
622.27295	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	617.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05498	1.2
57.03438	0.2
57.07060	1.6
67.05495	2.0
69.03421	0.7
69.07059	7.5
70.11649	0.3
71.04994	0.4
79.05475	1.8
79.31881	0.2
81.07047	6.5
81.07536	0.3
82.77103	0.2
83.01327	3.1
83.08609	0.8
87.04459	0.6
87.06789	0.3
91.05465	3.2
93.07032	4.7
95.04966	0.6
95.08599	4.9
97.10160	0.2
98.21391	0.5
105.07025	3.8
107.04961	0.4
107.08582	5.8
109.06525	0.9
109.10144	3.3
116.55150	0.3
117.07007	0.7
119.08560	3.3
121.06497	2.9
121.10136	4.3
123.11688	12.5
124.12041	0.3
127.03905	0.4
129.07043	0.2
131.08546	2.8
133.10120	3.2
135.08047	3.7
135.11674	4.7
137.05949	1.0
137.13249	0.4
139.07515	0.8
143.08562	0.4
145.10066	1.5
147.04420	0.4
147.11661	6.2
149.05965	0.9
149.09593	3.8
149.13281	0.9
153.05444	3.3
155.07008	0.4
157.10150	0.4
159.08034	5.2
159.11678	0.6
161.05960	0.3
161.09593	0.3
161.13245	3.1
162.06743	4.8
163.07527	7.3
163.14806	0.8
165.05463	18.1
167.07022	27.0
168.07358	0.2
173.13228	0.6
175.14780	0.8
177.05479	0.5
177.09088	13.2
177.16353	1.3
178.09412	0.3
181.08577	0.7
183.06584	0.3
187.07516	4.1
187.14795	0.7
189.16347	1.7
190.06213	0.5
191.07056	1.4
191.17917	0.6
193.08585	0.5
201.16377	2.7
203.07063	0.5
203.17932	14.5
204.18326	0.2
205.08578	62.0
205.19487	1.4
206.08905	0.9
207.10110	0.5
211.09599	0.7
215.17938	0.8
217.19563	0.4
219.10173	1.9
221.11705	11.0
222.12112	0.3
223.09621	100.0
224.09949	1.9
231.10083	0.4
231.21088	0.3
233.11655	0.5
237.11140	1.4
243.10147	0.8
243.20996	0.3
245.11635	0.5
245.22665	1.6
261.11099	1.0
271.24179	0.5
273.15051	0.3
275.16284	0.4
285.14807	0.4
287.16422	2.3
288.16705	0.3
289.14392	0.6
289.17920	6.6
291.15854	4.7
303.15894	1.2
327.19513	0.6
327.30237	0.9
337.28748	0.6
339.30350	1.1
343.18900	0.5
343.22614	0.4
345.20566	10.6
345.24783	0.5
346.20889	0.4
347.21844	0.3
357.20483	0.5
359.22110	0.6
397.23773	0.2
407.25089	0.3
413.26608	0.7
491.28375	0.4
491.35184	7.6
492.35748	0.3
531.38391	0.5
545.39771	0.4
547.38104	0.5
549.39325	8.9
550.39294	0.4
561.39423	1.2
599.44043	0.5
617.45422	2.2
619.88953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.4
55.05497	22.5
57.03426	8.4
57.07059	14.1
67.05495	33.3
69.03406	4.3
69.07063	41.8
70.07427	4.5
71.05004	10.1
71.81731	4.8
77.46007	5.0
79.05481	22.8
81.03400	22.8
81.07043	100.0
83.04974	5.8
83.08595	19.4
91.05465	33.3
93.07022	43.4
95.04950	14.7
95.08600	65.1
97.10156	8.1
105.07018	37.7
107.08591	40.6
109.06483	9.0
109.10141	50.0
111.11729	5.9
119.08570	33.5
121.06496	7.4
121.10124	33.9
123.11681	58.0
123.76780	5.0
125.09561	4.6
131.08575	13.8
133.10126	29.2
135.11710	23.5
137.13239	12.0
143.08589	8.5
145.10112	14.3
147.11646	53.1
147.12540	5.1
149.09607	13.0
149.13260	7.0
153.05458	5.1
157.10107	10.9
159.11697	11.6
161.13278	9.2
163.11165	6.5
165.05508	25.3
166.05762	6.2
167.07050	10.9
175.14819	6.3
177.09106	7.2
177.16399	9.6
179.07114	7.8
189.16360	8.2
193.12158	7.3
201.16371	12.4
202.34210	5.0
203.17934	99.9
205.08672	24.5
211.90468	5.0
215.18039	6.3
219.10179	11.5
219.17496	7.7
221.08177	7.8
221.11778	10.3
222.12073	4.9
223.09645	33.0
224.10013	9.9
237.11247	11.5
238.11516	6.3
239.09088	13.3
245.11754	4.9
267.15808	46.6
287.16260	8.0
291.15759	5.7
305.17264	5.6
306.02142	4.7
339.28824	25.4
343.18964	23.1
345.20660	14.2
361.19925	10.2
363.21707	11.0
379.29846	6.1
383.16339	5.3
404.06726	5.9
414.27432	8.9
531.40454	30.7
547.37726	29.5
565.38751	5.6
610.22571	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	616.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.8
57.07058	12.7
67.05195	4.0
67.05498	40.1
67.86060	3.2
69.03408	7.6
69.07060	53.7
70.99047	8.2
71.01327	3.2
71.04964	5.0
79.05482	24.8
81.07045	93.9
83.08613	16.4
91.05467	24.8
93.07044	49.3
95.04940	8.0
95.08594	75.8
97.06511	3.7
97.10152	6.0
105.07018	55.4
106.07388	4.5
107.08588	50.6
108.08908	4.8
109.06507	7.4
109.10147	64.9
110.10477	3.2
113.06004	6.4
117.06994	7.5
119.08571	37.7
120.08936	4.1
121.06516	4.0
121.10120	43.7
123.08065	3.3
123.11675	27.9
125.05957	4.2
127.07551	3.4
127.45340	3.1
131.08574	18.3
133.06506	4.3
133.10115	35.8
135.08051	7.7
135.11693	34.4
137.13243	8.7
143.08530	7.6
145.10110	24.2
147.08020	5.6
147.10486	3.9
147.11665	68.0
148.12090	3.7
149.05965	4.7
149.09616	7.2
149.13231	11.4
152.89534	3.2
153.05406	7.7
155.08487	3.9
157.10114	12.3
159.08052	4.5
159.11671	15.3
161.13239	12.6
163.07555	7.2
163.14775	3.8
165.05437	17.2
167.07030	5.8
168.07356	3.2
169.04861	4.3
169.10123	3.0
171.08063	4.9
171.11658	3.4
173.13261	6.4
175.14832	4.0
177.09068	7.5
177.16379	44.7
179.07040	6.8
183.11726	3.8
185.13252	4.9
189.16364	14.0
191.14262	3.6
193.08586	5.0
199.11185	4.6
199.14804	7.7
201.16376	22.8
203.06944	5.4
203.17931	100.0
204.18205	6.8
205.08556	28.8
206.08955	11.9
209.13275	3.4
213.07491	20.4
219.10233	6.3
219.17400	8.6
221.08096	10.0
221.11655	6.4
223.09601	39.8
224.10014	10.1
227.14267	3.7
237.25565	3.8
239.09132	11.9
287.16449	5.7
288.16803	4.3
325.17923	3.9
343.19037	6.9
345.20511	11.6
363.21808	4.1
379.30002	18.9
411.25223	8.0
414.27206	9.0
427.24319	5.1
429.26300	13.1
431.75980	3.7
446.31735	3.7
491.30997	4.4
529.36328	8.7
547.37561	21.0
548.38123	7.7
565.38757	3.5
616.44373	9.8
641.77600	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	616.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94048	3.8
55.05494	13.4
57.03427	4.5
57.07050	12.6
65.78313	3.8
67.05501	24.5
69.03426	3.5
69.07069	31.1
70.12544	8.4
70.12956	16.4
71.04974	4.7
71.08619	5.6
79.05484	22.9
81.03412	22.1
81.07050	64.9
83.08620	17.1
91.05470	22.8
93.06999	27.0
95.04942	10.2
95.08591	43.5
97.10144	6.9
98.20673	3.4
105.07031	38.7
107.08585	23.4
109.06480	4.7
109.10137	29.9
111.11709	3.7
117.07030	5.2
119.08574	30.1
121.06445	5.8
121.10123	29.5
123.11689	48.3
131.08559	9.0
133.10120	20.1
135.07990	4.8
135.11684	12.3
137.13275	5.9
145.10066	15.1
147.11659	63.3
149.13293	6.4
157.10088	7.8
159.11685	9.6
161.13220	8.8
165.05489	5.7
167.07007	4.4
169.24913	4.3
175.11157	4.0
177.16374	6.7
179.06975	3.6
193.12218	5.3
201.16350	26.2
203.17947	100.0
205.08563	12.0
220.48521	3.4
221.07979	5.1
223.09631	15.9
227.09106	6.1
267.15903	38.4
325.17929	7.0
339.28931	38.2
343.19003	16.5
345.20670	8.7
487.34088	3.8
531.40399	33.7
547.37561	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	616.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05498	10.6
57.07056	6.9
58.94778	1.4
59.04983	1.7
60.12025	1.3
62.62410	1.5
62.83946	1.4
66.43835	1.5
67.05490	21.5
69.03422	2.2
69.07059	28.3
71.04987	4.6
71.82113	3.0
73.67293	1.6
79.05480	19.3
81.07046	100.0
83.01328	3.0
83.04968	2.3
83.08601	5.0
85.06513	3.1
91.05458	21.5
93.06506	2.2
93.07034	27.6
95.04951	4.3
95.08591	45.0
97.06504	3.4
97.10171	2.2
103.05447	2.0
105.07018	37.1
107.08575	27.3
109.06519	4.9
109.10138	39.6
109.35375	1.7
110.10488	2.7
113.05973	2.4
117.07004	6.2
119.08569	35.2
121.06496	3.7
121.10139	26.8
123.08031	5.0
123.11694	59.6
125.09641	2.3
131.08571	7.4
133.10100	17.2
135.08058	3.4
135.11676	14.3
136.12027	1.7
137.09592	2.0
137.13217	10.7
143.08562	3.0
145.10126	16.3
147.08051	3.0
147.11658	48.9
148.12018	4.7
149.09610	4.7
149.13225	3.2
153.05443	3.4
157.10092	2.8
159.08038	1.7
159.11671	11.0
161.13216	13.6
163.07504	5.5
163.11145	7.0
165.05426	10.3
165.12703	5.1
166.05783	2.1
167.07028	15.5
169.04926	16.5
173.13216	3.1
175.14806	6.9
177.09122	3.2
177.12769	2.2
177.16344	2.8
181.08554	1.9
187.14832	3.5
189.16281	2.6
191.07011	9.5
195.06425	1.8
199.14847	2.7
201.16335	22.1
203.17931	71.7
204.18268	8.0
205.08560	20.2
206.08989	3.7
207.06555	1.7
209.08051	6.8
209.13268	1.7
218.86041	1.4
219.17421	14.1
221.11617	1.6
223.09610	27.0
224.10007	9.7
225.07532	3.9
227.09087	25.0
229.15807	1.7
231.89069	1.8
239.09062	4.7
263.12656	2.2
273.14529	1.9
279.12247	2.9
287.16394	3.9
288.16711	2.2
291.15863	4.4
325.18027	5.3
339.19348	1.8
343.18997	25.3
345.20691	10.8
346.20715	3.1
355.22952	3.7
356.22937	3.5
361.20016	11.4
363.21732	3.9
393.24426	1.9
411.25256	2.8
413.26761	5.7
414.27017	8.8
419.25446	1.8
429.26236	2.1
463.27756	2.4
477.33823	2.0
529.36627	3.8
547.37732	15.9
548.38257	4.3
563.36438	2.0
565.38531	5.7
599.39166	1.8
616.44189	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	615.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.03938	1.0
55.01861	0.9
55.05505	10.2
56.25528	0.5
57.03429	3.3
57.07068	4.8
65.03920	1.1
67.05494	22.8
69.07059	16.3
69.71261	1.9
69.71686	3.7
71.04971	0.9
71.08622	1.9
73.93860	0.7
79.05486	13.8
79.83755	0.6
81.07046	27.7
83.04978	0.8
83.08605	8.6
85.06544	1.2
85.10152	1.3
90.97740	0.6
91.05469	12.7
93.06427	1.0
93.07031	20.0
95.04960	1.7
95.08596	21.1
97.06518	1.8
97.10146	4.1
99.08122	0.7
100.84109	0.7
103.05384	0.6
103.11077	0.6
105.04454	0.8
105.07019	14.1
107.08572	13.6
109.10142	9.6
111.08090	1.0
111.11721	0.9
111.54954	0.6
117.07011	4.3
119.08569	15.3
119.09403	0.9
121.10123	8.5
123.08052	1.2
123.11686	4.5
124.12491	0.6
125.09604	0.8
126.25053	0.7
129.06996	2.6
131.08557	9.5
132.00121	0.7
133.10117	9.3
135.08020	1.1
135.11664	7.3
137.09680	0.8
137.13216	1.9
143.07567	0.6
143.08507	3.5
145.10107	10.4
147.11664	6.1
149.09595	1.0
149.13208	4.3
151.11168	0.8
155.08565	1.2
157.10159	2.4
159.11716	5.3
161.13283	4.7
163.14790	3.0
165.05472	2.1
167.07019	1.1
169.10139	1.3
171.11687	2.5
173.13223	3.8
175.14799	3.3
177.09155	1.2
177.16351	1.4
183.11722	1.1
185.13271	2.4
187.14841	2.2
189.16371	2.1
197.13214	1.0
199.14862	1.3
201.16397	2.8
203.18033	1.5
205.08507	4.1
205.19501	1.1
213.16428	1.1
215.17992	1.0
217.19478	1.1
219.10216	0.8
219.21103	0.7
221.11543	0.9
223.09624	8.3
229.19528	1.1
233.22610	0.9
235.20346	0.7
243.21112	1.6
259.20636	1.6
261.22153	2.0
287.23779	1.0
301.25305	1.0
311.25916	1.0
325.27328	0.8
335.25943	2.1
337.27438	3.0
345.20728	0.8
357.31647	1.1
371.33038	0.8
393.31085	0.8
393.52524	0.7
413.26736	1.5
485.36993	1.0
489.34235	1.2
491.37274	0.7
502.53052	0.7
505.44843	1.1
523.45215	3.0
531.40930	1.1
541.45581	1.5
545.41705	0.8
547.37817	1.1
597.48682	7.8
614.11420	0.7
615.49762	100.0
616.49994	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	615.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.05509	4.4
57.07046	1.6
65.03915	0.6
67.05492	6.2
68.65179	0.8
69.03426	0.8
69.07059	23.4
71.01337	1.4
71.04957	1.7
77.03933	0.7
79.05486	7.8
81.06612	0.8
81.07047	12.6
82.59690	0.5
83.01309	2.7
83.08595	1.8
89.99796	0.5
91.04934	1.0
91.05466	12.6
93.07031	24.8
95.04929	2.0
95.08035	1.0
95.08596	14.4
97.10129	1.2
98.20641	1.1
100.51475	0.6
105.07017	20.9
107.08577	25.9
109.06482	1.8
109.10136	12.6
111.11671	1.1
113.05943	1.1
117.06968	2.5
119.08565	16.0
121.06480	3.0
121.09375	0.9
121.10139	10.3
123.08040	1.4
123.11694	7.3
129.06978	1.3
130.07797	0.9
131.08549	7.3
133.06502	0.8
133.10112	14.4
135.08067	4.2
135.11673	19.5
137.05916	1.3
137.13210	2.0
143.08528	2.5
145.10106	7.3
147.08038	1.1
147.11667	24.4
149.05905	0.6
149.09564	3.5
149.13222	1.4
151.07518	0.7
153.05441	3.7
157.10080	1.8
159.08055	5.8
159.11661	6.5
161.05894	0.7
161.09698	0.7
161.13252	3.8
162.06682	3.2
163.07503	7.7
163.14857	0.6
165.05458	30.6
167.07021	9.4
167.08385	1.2
169.10019	0.7
171.11664	1.9
173.09518	0.7
173.13217	1.6
175.14806	1.5
177.05507	0.8
177.09079	15.0
177.16359	2.2
179.06972	0.7
181.08589	0.6
183.11537	0.9
185.13306	1.0
187.07510	4.3
187.14774	1.3
189.09091	0.9
189.16357	2.1
191.06982	1.3
191.17905	1.8
193.08534	1.3
195.06427	1.0
197.13249	1.0
199.14865	1.0
201.16368	14.2
203.07086	1.3
203.17931	16.6
205.08575	68.9
206.08887	1.9
207.06664	0.6
207.10074	0.7
211.09618	1.7
213.12808	0.7
219.10162	2.5
221.11697	5.2
223.09621	100.0
224.09958	2.7
227.10619	0.8
229.08525	1.1
231.10011	0.9
235.09529	0.9
237.11177	1.5
237.14705	1.4
239.10646	0.8
239.17932	0.8
243.10155	1.4
245.11810	0.9
253.12323	0.9
261.11084	1.0
269.22766	0.9
271.13168	1.2
271.24182	1.8
275.16647	0.6
285.14752	1.0
287.16397	10.6
291.16003	4.3
303.15955	0.9
325.18060	1.3
327.19482	1.3
329.17374	1.3
343.19046	2.4
345.20581	19.1
346.21106	1.2
351.19333	0.8
353.21014	0.8
355.22635	17.3
356.23019	0.6
357.20682	3.7
371.22256	0.6
376.73724	0.9
379.29987	0.9
380.78482	0.6
393.24002	1.2
395.25818	1.8
409.27176	1.7
411.25131	4.3
413.26810	49.7
414.27097	2.7
425.26865	8.9
463.28378	1.8
475.32208	1.1
477.33679	1.3
481.33102	5.7
489.34158	0.8
527.38177	0.8
529.37305	1.2
545.39050	0.9
547.37646	7.1
548.37708	0.9
597.34027	0.7
597.42371	2.8
615.43872	25.4
616.44336	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	615.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01874	1.1
55.05500	5.7
57.07059	2.8
67.05495	7.6
69.03400	1.0
69.06693	1.8
69.07057	30.9
70.91171	3.1
71.08636	0.9
79.05479	8.3
81.06555	1.0
81.07041	19.7
83.01326	2.9
83.08609	2.5
89.06027	1.2
91.05476	14.7
93.07036	22.0
95.04972	2.0
95.08593	22.6
96.08934	0.8
97.10161	1.9
103.05453	0.9
105.07017	29.9
107.08575	23.5
107.09248	1.4
108.08900	0.9
109.06504	2.3
109.10139	19.3
111.11713	1.4
112.22939	0.9
115.05444	0.8
117.06995	5.3
119.08567	22.7
121.06470	2.7
121.10135	10.8
123.08078	1.3
123.11711	9.4
125.64712	0.8
128.06255	0.9
128.32578	0.7
129.06963	2.5
129.80981	0.9
131.08545	11.5
133.08548	1.2
133.10117	14.7
135.08041	3.3
135.11687	22.1
137.05988	1.2
137.13225	3.2
142.07861	1.0
143.08563	4.6
145.10101	18.1
147.11662	35.5
148.11995	1.8
149.09636	4.0
149.13239	2.0
153.05423	5.4
155.08493	1.3
157.10109	2.7
158.10858	1.2
159.08046	3.4
159.11671	10.6
161.13234	5.3
162.06744	4.1
163.07532	7.3
165.05453	31.8
165.06836	1.9
166.05812	1.1
167.07034	6.8
169.10101	0.9
171.11659	3.7
173.13264	3.3
175.14845	1.4
177.09103	13.8
177.16394	2.7
183.11696	1.9
185.13197	6.5
187.07562	2.4
189.08960	1.1
189.16393	2.9
190.06248	0.9
191.17995	4.1
193.08559	1.5
199.14835	2.8
201.16365	69.4
202.16687	2.4
203.07072	1.4
203.17928	26.0
205.08574	68.0
207.10013	1.6
211.09659	1.8
211.14790	1.2
213.16391	1.4
219.10159	2.1
221.11661	7.5
223.09621	100.0
224.09979	2.7
227.14276	2.4
231.17139	0.9
237.11063	1.9
245.11795	1.0
253.19447	1.1
267.21057	1.6
269.22568	3.3
271.13324	0.9
271.24097	1.0
273.22018	1.0
285.14838	1.1
287.13205	1.6
287.16388	22.8
289.17801	1.4
291.15900	6.4
325.18033	1.9
325.28894	1.4
327.19620	1.1
329.17392	2.0
337.28922	1.4
341.21252	1.9
343.18994	6.2
343.22690	1.3
345.20557	22.5
346.21021	1.5
347.22189	1.5
353.21030	3.3
355.22626	14.4
357.20520	7.7
359.22400	1.0
367.19028	1.2
411.25119	6.2
413.26831	38.4
414.26889	1.6
423.24960	1.5
425.26804	6.2
463.28275	2.8
475.32034	1.2
477.33807	1.9
479.31287	3.3
481.33011	3.7
489.33447	2.6
491.31476	3.0
529.36481	2.5
534.37543	1.1
547.37750	17.8
548.38171	1.6
597.42889	4.0
615.43701	25.5
616.44153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
54.26565	1.3
55.01882	2.8
55.05507	19.9
57.03434	16.5
57.07053	4.6
65.03912	2.3
67.05498	48.3
69.03386	1.7
69.06737	1.8
69.07064	24.5
71.04969	3.8
71.08630	1.2
79.05485	20.5
81.03411	75.1
81.07047	53.2
83.04958	5.0
83.08611	24.3
85.06537	1.8
86.00662	1.3
89.06017	4.2
91.05473	25.0
93.07035	19.1
95.04962	24.8
95.07990	2.4
95.08589	38.1
96.08891	1.5
97.02853	1.3
97.06509	3.8
97.10153	8.7
99.08086	1.8
105.06403	1.9
105.07028	18.4
106.07430	1.3
107.04942	5.8
107.08580	16.2
109.06485	3.7
109.10155	16.9
109.10887	2.1
111.08088	6.5
111.11649	1.9
115.05421	1.7
117.06975	3.2
119.04898	2.5
119.08559	18.1
121.06520	2.7
121.10132	13.1
123.08023	3.1
123.11688	7.3
125.09620	2.0
129.06981	11.7
131.08545	9.8
133.08554	2.9
133.10098	7.9
135.07996	1.6
135.11736	7.8
137.09554	2.6
137.13231	3.1
145.10069	5.3
146.12616	1.5
147.08055	2.0
147.11670	13.0
149.05846	1.2
149.09573	4.4
149.13203	2.3
151.11128	1.9
157.10114	9.3
159.11681	1.5
161.13196	5.4
163.11165	2.3
163.14772	2.1
165.12712	2.4
175.11153	6.4
175.14821	3.1
177.11308	1.7
185.13261	1.8
189.11197	1.8
189.16389	2.5
193.12199	21.1
203.17831	2.4
205.08578	1.7
211.13223	1.7
219.10107	4.0
220.10432	2.7
227.12735	3.7
237.11238	4.6
238.11510	3.5
245.22523	1.6
263.23615	5.1
267.15878	100.0
268.16232	1.6
303.26733	1.9
319.26279	1.5
337.27335	90.5
338.27509	3.5
359.22168	2.8
435.27274	1.5
437.34238	1.9
455.35059	5.1
473.36267	1.8
529.38849	72.6
530.38922	5.8
547.39874	35.7
548.39923	3.5
561.42059	1.6
596.40259	1.6
614.39954	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
53.22692	2.0
55.01862	7.6
55.05503	38.2
57.03429	26.1
57.07068	6.2
59.04989	2.6
63.64950	2.0
65.03931	6.8
67.05497	97.3
67.51492	1.7
69.03418	7.3
69.07064	23.9
71.04987	12.0
71.08619	6.0
79.05019	4.3
79.05483	80.0
80.06300	2.3
81.03413	69.5
81.07047	100.0
83.04970	27.6
83.08615	38.2
85.02898	26.2
85.06527	6.0
91.05470	82.3
93.07035	83.9
95.04960	47.4
95.08004	3.6
95.08598	59.3
97.02901	3.7
97.06519	17.0
97.10146	7.9
97.41839	2.2
99.08086	11.2
100.11230	2.4
105.07018	54.8
107.04967	10.4
107.08586	42.2
109.06487	12.7
109.10146	20.2
111.04429	2.1
111.08058	16.4
113.06011	3.1
115.05476	2.7
117.07001	18.8
119.08566	39.6
121.06473	4.6
121.10138	32.8
123.08060	8.0
123.11703	6.3
125.09631	3.7
127.07512	2.4
128.06166	3.1
129.05495	2.1
129.06999	16.4
131.08554	34.5
133.06462	4.7
133.10109	35.4
135.08075	3.7
135.11655	15.0
137.09610	5.7
137.13263	2.2
139.11147	3.6
142.07755	6.5
143.08536	6.4
145.10097	13.5
147.08072	4.0
147.11676	25.1
149.09590	9.1
149.13261	19.1
151.11195	11.0
151.14731	2.6
157.10107	21.8
159.11658	13.8
161.13210	4.6
163.11166	10.0
163.14824	7.9
165.12755	4.9
165.15332	2.1
171.11708	3.4
173.13211	5.2
175.11177	21.5
175.14803	4.2
177.12740	4.7
185.13321	2.7
187.14793	4.2
193.12230	63.5
194.12634	2.4
195.13765	8.2
201.16345	3.1
211.13261	73.6
227.20148	3.5
233.15195	2.4
241.19472	3.3
243.21101	8.4
245.13303	2.2
249.15048	2.6
261.22144	15.2
262.70804	2.1
267.15820	19.5
269.17505	5.2
277.21579	8.1
285.16940	55.6
317.24692	3.2
324.36557	2.1
335.25772	29.1
351.25119	6.8
435.32477	4.9
453.33606	4.7
461.28885	4.0
479.30005	43.6
527.37256	19.6
545.38306	31.5
561.37555	2.5
578.37958	2.4
614.28595	3.0
614.37885	4.8
615.35687	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	614.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01856	6.8
55.05236	1.7
55.05502	30.5
57.03431	18.7
57.07067	4.2
58.83261	1.2
59.04987	1.7
65.03931	3.2
67.05495	68.8
68.47038	1.0
69.03423	5.0
69.07058	22.4
69.53383	8.0
69.53804	3.2
70.06567	3.1
71.01363	1.2
71.04984	7.0
71.08620	13.8
77.03928	1.0
79.05482	57.0
80.85686	1.1
81.03407	47.2
81.07044	77.3
83.04966	24.9
83.08611	27.4
85.02895	21.7
85.06531	4.1
87.04418	1.1
89.27964	1.2
91.05464	59.9
93.07032	59.4
95.04961	34.5
95.08592	31.7
97.02883	2.8
97.06512	15.5
97.10152	8.6
99.08080	15.1
103.05495	1.2
105.03385	2.9
105.04501	1.5
105.07014	42.4
107.04933	9.2
107.08582	25.3
109.06503	7.5
109.10151	10.8
111.04452	2.1
111.08064	13.4
113.05967	2.2
113.09606	1.4
115.05457	2.0
117.06994	12.3
119.08564	27.7
121.06500	3.7
121.10111	18.5
123.08048	6.5
123.11681	4.9
125.09628	4.5
128.06200	1.6
129.06982	12.0
131.08540	24.1
132.10190	1.3
133.06450	2.2
133.10114	24.0
135.08063	3.4
135.11678	10.6
137.09627	2.7
137.13239	1.2
139.11171	2.9
142.07773	4.0
143.08539	3.7
145.10097	8.4
146.11798	1.8
147.08063	2.7
147.11658	19.3
149.01080	1.1
149.02289	3.5
149.05957	14.1
149.09602	8.1
149.13226	12.7
150.10138	1.1
151.11172	22.3
157.10115	16.3
159.11673	9.0
161.09656	2.0
161.13254	7.4
163.11150	14.5
165.12755	3.8
171.11707	2.5
175.11148	13.2
175.14772	4.2
177.12759	3.3
179.14262	6.0
185.13101	1.3
189.11267	1.9
193.04951	2.9
193.12225	42.4
195.13808	6.2
198.99248	1.1
211.13257	64.7
227.12738	5.4
231.21210	1.1
233.15381	1.6
235.00554	1.2
241.19557	2.9
249.14566	1.1
249.22203	1.1
251.16397	2.8
259.20532	6.5
267.15881	23.6
269.17438	25.6
277.21558	15.8
285.16925	51.7
297.07544	3.9
300.28992	4.1
341.10193	15.4
351.25287	29.6
365.22833	1.5
383.24197	2.2
443.27682	1.5
445.29370	1.5
461.28876	26.7
463.30389	2.5
479.29974	100.0
480.29691	1.7
543.36816	6.2
561.37793	18.7
614.36920	23.7
615.36621	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03928	1.8
55.01861	1.1
55.05504	12.5
57.03431	5.0
57.07066	3.4
65.03917	1.3
67.05494	38.3
68.24138	0.5
69.07055	15.2
69.51572	6.3
70.21899	0.5
71.04974	2.0
71.08615	0.9
77.03895	0.6
79.05481	20.2
80.53890	0.5
81.07043	45.6
83.04958	1.6
83.08604	9.0
85.06489	1.0
91.05468	17.6
92.28872	0.6
93.06425	0.7
93.07030	27.0
95.04938	2.8
95.08591	38.9
96.08909	0.5
97.06496	2.4
97.10160	4.6
98.20736	1.1
99.08059	1.3
103.05504	0.7
105.07011	21.1
107.08578	21.0
109.06521	1.2
109.10137	20.0
111.08077	1.3
111.11654	0.8
115.05431	0.9
117.06990	7.7
119.08559	19.7
121.10127	17.0
123.08085	1.1
123.11686	8.1
125.09572	1.1
129.06981	3.7
130.07800	0.8
131.08545	16.4
133.10098	16.1
135.08012	1.2
135.11679	12.1
135.12642	1.0
137.13223	2.8
139.11133	0.9
141.06998	0.7
143.08521	5.4
145.10100	14.1
147.11653	13.9
149.13228	8.0
151.11076	0.7
151.14821	0.9
155.08514	1.8
157.10106	5.6
159.11678	10.6
161.13239	7.6
163.11174	1.2
163.14824	3.8
165.05537	0.7
165.12798	0.7
169.10129	1.5
171.11662	5.4
173.13226	9.5
175.14777	4.7
177.16394	1.7
179.14291	1.6
181.10139	0.8
183.11711	2.1
185.13217	4.8
187.14790	5.3
189.16322	2.7
191.17899	1.3
195.11697	0.9
197.13297	1.4
199.14769	3.6
201.16357	4.2
203.14386	1.0
203.17896	3.4
205.19415	0.7
211.14763	1.2
213.16411	2.3
215.17917	1.7
217.19534	1.6
218.08998	0.7
219.17516	1.4
223.09601	1.0
225.16411	1.0
227.17944	1.5
229.19347	0.9
231.21051	1.4
236.10143	0.9
239.18076	0.9
241.19560	2.5
243.21097	2.2
245.19090	0.9
245.22679	1.0
247.20634	1.2
259.20502	5.4
261.22092	7.5
263.23770	1.0
273.22195	1.3
277.21555	1.8
279.23291	0.7
287.23669	1.4
291.23001	0.8
299.23785	1.5
301.25299	1.0
302.10129	0.7
309.24277	0.6
313.25287	1.4
315.23056	1.0
315.26569	0.7
317.24731	1.5
325.25253	0.6
327.26898	0.8
333.24225	3.7
335.25748	12.9
337.27332	7.4
341.28363	0.9
347.25778	1.0
357.20715	1.1
358.20999	1.3
359.21613	0.9
369.31732	0.8
381.31900	0.7
415.32214	0.8
429.33707	0.8
451.35626	0.8
475.33731	0.6
489.35873	2.1
503.37259	1.9
515.37433	0.9
517.38977	0.8
521.43768	4.4
529.38483	1.7
531.40137	0.7
539.44678	3.0
543.40704	1.5
595.47198	12.2
613.48193	100.0
614.48254	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02373	0.8
53.03935	1.7
55.01853	1.2
55.05503	15.9
57.03426	5.3
57.07061	4.2
62.03902	0.6
65.03928	2.7
67.05495	54.9
69.07055	17.8
70.91775	1.1
70.92178	1.4
71.04980	1.6
71.08614	0.8
79.05482	28.6
81.07044	54.8
82.07386	0.7
83.04970	1.3
83.08608	8.0
84.27856	0.7
85.06527	1.6
91.05464	20.4
91.06042	1.0
93.07030	36.5
95.04948	3.8
95.08591	48.5
97.06505	3.4
97.10139	5.2
99.08097	1.1
105.04536	1.0
105.07013	23.2
107.04853	0.6
107.08581	23.4
109.06508	1.5
109.10143	24.3
111.08067	2.4
111.11682	1.2
113.09646	0.7
115.05409	0.6
117.06994	10.7
119.08559	22.4
121.10129	19.7
123.08042	1.0
123.11703	10.1
129.07001	3.5
131.08551	18.4
133.10106	18.4
135.11668	12.5
137.09601	0.7
137.13240	3.1
141.06973	1.5
143.08536	6.5
145.10106	18.7
147.11668	15.9
149.09595	0.7
149.13237	8.1
151.11203	0.7
151.14824	1.3
155.08569	2.0
157.10133	6.0
159.11679	13.6
161.13248	9.4
163.14847	3.5
165.16400	0.9
169.10103	2.1
171.11667	5.8
173.13258	11.2
175.14812	4.3
177.16376	1.3
181.10144	0.9
183.11696	2.1
185.13171	4.9
187.14812	5.5
189.16385	2.5
195.11745	0.9
197.13242	2.5
199.14832	4.1
201.16386	3.2
203.17992	1.7
205.68860	0.6
211.14857	0.8
213.16405	2.2
215.17987	1.6
217.19553	1.4
223.14717	0.7
225.16348	1.1
227.18024	0.9
229.19479	1.6
231.17473	1.0
231.21045	1.5
233.18965	1.1
237.16261	0.7
241.09995	0.6
241.19695	2.9
243.21082	1.9
245.19026	1.3
245.22649	1.1
247.20479	1.0
259.20584	7.0
261.22122	11.4
263.23715	1.6
273.22113	1.2
279.23111	1.0
285.22177	0.9
287.23697	1.0
297.24484	0.8
299.23535	1.6
301.25317	0.8
309.24112	1.0
311.23730	1.1
313.25107	1.0
315.26791	0.7
317.24686	1.8
323.25845	1.3
327.26794	1.3
333.24106	5.1
335.25763	14.7
337.27332	10.4
341.28354	1.4
347.25885	0.7
355.29868	0.9
415.32095	0.8
470.02225	0.7
489.36154	1.3
501.38983	0.6
503.36783	1.2
517.38959	2.0
521.43451	4.8
529.38690	1.1
539.44757	3.1
543.40338	1.4
577.45825	1.0
595.47156	11.1
613.48163	100.0
614.48828	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03935	1.2
54.30959	0.3
55.01880	1.8
55.05507	11.5
57.03434	2.8
57.07070	4.9
59.04971	0.5
62.90753	0.3
65.03923	0.7
67.05497	25.2
68.05838	0.5
69.03414	0.4
69.07061	11.5
69.73495	2.6
71.04980	1.0
71.08614	2.4
75.04456	0.4
79.05486	13.9
81.07049	23.8
83.04972	1.4
83.08612	6.7
85.06532	1.7
85.10178	1.0
91.05466	13.3
92.05768	0.4
93.07032	16.6
95.04961	1.7
95.08598	17.9
97.06520	1.4
97.10144	3.6
99.08080	0.8
100.64944	0.4
103.05466	0.4
105.07018	16.0
107.08575	10.7
109.06500	0.9
109.10149	8.1
111.08090	0.9
111.11719	0.6
113.09609	0.4
115.05456	0.7
117.07011	7.1
119.08568	18.4
120.08910	0.5
121.10127	7.8
123.08051	0.9
123.11687	4.8
125.09673	0.8
128.06229	1.0
129.06979	4.7
130.07799	0.5
131.08549	14.7
133.10112	8.9
135.08044	0.9
135.11668	5.3
137.09637	0.8
137.13254	1.7
141.06967	1.8
142.07747	0.7
143.08553	8.1
144.09328	0.7
145.08972	0.8
145.10112	16.4
147.08075	0.7
147.11653	5.6
148.11981	0.5
149.09618	1.0
149.13249	2.8
151.11221	0.9
151.14803	0.8
153.05476	0.8
153.12785	0.6
155.08546	3.7
157.10110	6.3
159.08044	0.4
159.11687	8.2
161.13242	6.2
163.11191	0.7
163.14844	1.3
165.05484	3.7
167.07051	1.4
167.08418	0.7
169.10130	3.4
171.11684	4.7
173.09703	0.5
173.13246	4.6
175.14784	4.6
177.09171	0.4
177.12762	0.5
177.16354	0.6
179.14333	1.4
181.10088	2.3
183.11670	2.8
185.13234	4.2
187.11208	0.4
187.14804	5.4
189.16273	2.5
191.17993	0.6
191.42105	0.4
193.19476	0.6
195.11700	1.7
197.13252	3.2
199.14822	3.7
199.49683	0.4
200.15266	0.4
201.16370	6.0
203.17923	1.8
205.19589	0.6
207.21086	0.5
209.13243	1.6
211.14838	2.2
213.14857	0.3
213.16432	2.9
215.14474	0.4
215.17981	1.9
217.08659	0.4
217.15974	0.5
217.19537	1.4
219.10190	1.8
219.17485	0.5
219.21024	0.5
223.09718	0.4
223.14807	1.4
225.16328	1.9
227.17986	1.5
229.19507	1.1
231.21144	1.5
235.14890	0.8
237.11174	2.7
237.16388	1.1
239.18048	1.0
241.19595	1.1
243.21072	1.0
245.22675	0.9
247.20505	0.4
251.17993	0.8
253.19730	0.7
255.21205	0.8
257.18665	0.4
257.22668	0.9
259.20554	0.6
259.24304	0.6
267.21155	0.9
269.22580	0.6
271.24246	0.8
274.34109	0.4
275.72217	0.4
277.21631	1.1
281.22684	0.6
283.20447	0.5
283.24149	0.7
285.18698	0.4
285.22217	0.8
285.25549	0.6
287.16531	1.2
291.23428	0.5
297.22116	0.7
303.23099	0.7
311.23578	0.7
313.25354	1.0
315.23126	0.7
320.77814	0.5
323.26187	0.4
325.25189	0.9
327.26889	0.6
333.24432	0.7
335.26010	0.5
337.27347	0.7
339.26846	0.7
354.62521	0.5
355.22592	0.6
355.30011	0.6
359.22104	1.4
369.27536	0.6
369.31622	0.6
377.23093	0.4
383.33228	0.5
385.30969	0.5
389.23096	3.4
395.33319	0.6
397.34708	0.8
407.27817	0.5
421.34695	0.5
437.34583	0.6
443.35483	0.4
451.35376	0.6
473.29355	0.8
503.42532	1.9
515.36945	0.7
521.43555	9.9
522.44031	0.5
529.38831	0.7
539.44482	4.7
543.40240	0.5
577.45984	1.1
595.38245	0.9
595.47137	10.3
596.47540	0.6
613.48187	100.0
614.48712	5.6
631.58435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.7
57.03429	4.3
57.07065	18.2
60.95519	1.9
67.05147	2.4
67.05495	25.9
69.03416	2.4
69.07057	30.9
70.49641	9.5
71.04970	4.5
71.08593	3.8
73.53798	1.9
79.04771	2.1
79.05476	18.9
81.07049	55.4
83.01321	4.8
83.04957	6.2
83.08586	8.0
85.06526	5.0
91.05452	25.2
93.07031	42.5
95.04952	4.0
95.08011	3.5
95.08593	45.2
96.08878	3.0
97.06508	4.2
97.10144	5.1
105.07014	40.6
107.04935	2.9
107.08581	44.4
109.06485	7.3
109.10137	39.0
117.06991	11.4
118.65735	2.1
119.08559	34.2
119.47373	2.1
121.06455	4.4
121.10131	34.6
123.04401	2.8
123.08027	3.3
123.11682	28.0
129.06982	4.4
130.07744	2.0
131.08543	14.3
133.10106	25.0
135.08043	7.9
135.11681	39.3
136.12070	3.0
137.05923	2.7
137.13240	3.5
139.11217	2.7
143.08557	5.9
145.10104	35.7
147.11668	29.4
149.09590	5.7
149.13226	4.4
153.05467	8.7
157.10095	6.3
159.11646	17.2
161.09546	2.6
161.13274	11.0
163.07553	5.8
163.11131	8.2
165.05463	27.2
167.07013	9.6
168.45207	2.2
171.11655	4.7
173.09555	4.0
173.13243	5.7
175.14799	6.6
177.05371	2.6
177.09088	14.4
177.16319	3.4
185.09688	2.4
187.11189	3.4
187.14807	2.5
189.16331	4.8
191.07063	2.1
191.10637	7.8
191.17860	12.9
199.14774	3.1
201.09081	5.7
201.16324	25.5
203.17928	28.6
204.18402	2.0
205.08578	8.4
217.08572	3.9
219.04019	2.1
219.10149	67.4
219.17375	23.4
221.08075	2.7
221.11668	3.0
223.09612	9.8
235.09451	2.8
237.11183	100.0
237.18465	36.4
277.21594	2.4
287.16339	8.6
308.74460	2.3
341.21280	3.4
345.20493	4.5
355.22528	4.3
357.20483	3.7
359.22131	58.3
371.22131	4.2
377.23169	6.4
379.85092	2.2
389.23041	7.4
439.28256	5.9
441.26044	4.0
465.59216	2.1
473.28845	9.0
545.35461	3.2
577.38379	7.5
595.39832	9.7
613.48651	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18739	0.2
53.03920	0.7
55.01860	0.4
65.03931	2.5
66.04695	0.2
67.05493	0.9
69.03394	0.8
69.07050	0.2
70.53513	0.9
75.89041	0.2
78.04700	3.0
79.05486	1.5
81.03391	0.6
81.07026	0.3
82.04169	0.8
85.02899	1.8
91.05470	4.2
93.03378	0.7
93.07054	0.3
94.04183	0.3
95.04457	0.2
95.04959	1.9
96.05719	0.2
97.02879	0.3
97.06525	0.9
103.04898	0.2
103.05467	1.9
105.03360	0.3
105.07025	0.6
106.04158	1.8
107.04946	2.2
108.02073	0.2
109.02856	0.3
109.06475	0.3
110.03650	1.3
110.67957	0.2
111.04453	0.9
115.05445	5.1
117.07006	9.4
119.04924	3.4
119.08503	0.4
121.02809	0.3
121.06470	0.4
122.03632	0.7
123.04416	8.2
124.05206	2.9
125.05988	1.1
127.05408	1.2
130.04114	0.3
131.04916	1.2
132.05693	0.4
133.02829	0.4
133.06476	0.5
134.03644	0.5
135.04375	0.5
137.04933	0.4
137.05965	5.7
138.03088	0.5
140.04704	0.2
142.02559	0.7
143.04897	0.6
144.05681	0.6
145.06467	15.0
147.04387	4.6
147.08020	0.8
148.05119	0.3
149.05959	0.4
149.17960	0.2
151.03889	2.9
151.07497	0.6
152.04662	2.4
153.05447	2.5
155.04892	0.3
155.06010	3.1
155.07097	0.2
160.05199	0.2
161.05981	0.9
162.06749	0.2
163.03960	0.2
163.07410	0.4
165.05586	0.9
165.06744	0.3
167.07019	100.0
168.07390	0.5
171.06511	2.5
173.05965	23.1
174.06683	0.3
175.03880	0.3
175.07478	1.1
177.05493	0.4
179.06992	1.3
181.04935	34.3
182.05350	0.4
185.06001	0.2
189.09082	0.3
189.98317	0.2
190.06319	0.4
191.07085	1.1
195.06494	0.3
201.05443	0.9
203.06970	1.3
205.06740	0.2
205.08578	5.4
207.06503	0.3
207.10110	0.3
216.04198	0.2
217.08673	0.3
219.06493	0.5
219.08304	0.3
219.10190	0.4
221.08043	0.3
231.06566	0.8
233.08051	4.9
235.07556	0.2
235.09608	4.7
249.05466	0.2
249.09091	0.3
250.06204	0.3
251.06995	0.4
263.06992	0.3
265.08621	0.5
267.10117	0.2
283.09650	0.4
291.06342	0.2
293.08057	0.6
295.06204	0.4
295.09500	0.4
297.11237	0.6
299.09146	0.2
310.08282	0.6
323.09290	0.3
325.10709	0.8
326.11362	0.2
327.08450	0.3
329.13907	0.2
342.10861	0.3
353.10217	0.4
355.11496	0.4
356.12360	0.3
357.13251	3.3
362.67203	0.2
369.13171	0.3
381.13232	0.4
385.12784	18.2
386.13336	0.5
387.14325	5.9
411.14407	0.2
415.13821	0.4
417.15433	10.7
547.19977	0.2
583.21643	3.3
613.22736	54.9
614.22949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2274
Annotation	C11830
Peak:m/z	Relative Intensity
51.52643	0.2
53.03925	0.6
55.01855	0.4
59.15858	0.2
61.18048	0.2
62.20448	0.2
65.03930	2.4
67.05504	1.0
67.08132	0.2
69.07024	0.2
69.88620	1.2
78.04707	2.8
79.05478	1.5
81.03400	0.4
81.07036	0.5
82.04163	0.6
85.02898	1.5
86.42800	0.2
91.04931	0.3
91.05468	5.1
91.48126	0.2
92.57655	0.2
93.03365	0.7
94.04173	0.3
95.04970	1.6
96.70370	0.2
97.02868	0.2
97.06509	1.2
99.91290	0.2
103.05442	1.8
105.03332	0.4
105.07005	0.6
106.04164	1.5
107.04966	1.8
108.02029	0.3
109.02829	0.4
109.06478	0.3
110.03627	0.9
111.04420	1.2
111.08041	0.3
115.04634	0.2
115.05441	5.3
117.07001	9.2
119.04928	3.6
119.08552	0.3
121.06508	0.5
121.10085	0.2
121.88978	0.2
122.03616	0.9
123.04419	7.5
124.05192	3.0
125.05965	1.3
127.05409	0.9
129.06984	0.3
131.04906	1.1
133.02821	0.6
133.06438	0.5
133.10117	0.3
134.03641	0.5
135.04427	0.6
136.05147	0.3
137.02367	0.3
137.05965	10.0
138.03102	0.4
142.02602	0.9
143.04866	1.3
144.05682	0.5
145.06470	15.1
147.04385	4.2
147.08037	0.9
149.05951	0.6
151.03877	2.7
151.07481	0.8
152.04683	2.4
153.05450	2.2
155.04921	0.4
155.06020	3.5
155.07214	0.2
158.30530	0.2
159.04466	0.3
159.07988	0.2
160.05107	0.3
161.05992	1.0
162.06682	0.2
163.03809	0.4
163.07506	0.2
164.04782	0.3
165.05476	0.7
167.07018	100.0
168.04155	0.4
168.07370	0.7
171.04430	0.2
171.06517	2.5
172.05228	0.5
173.05963	23.5
175.07523	1.1
176.04506	0.3
177.05447	0.4
179.06995	1.6
181.04933	33.0
187.03925	0.3
188.04643	0.4
189.05431	0.3
190.06209	0.5
190.94426	0.2
191.07001	1.3
193.08603	0.4
200.04684	0.2
201.05475	0.9
203.06969	1.2
203.15002	0.2
205.06619	0.3
205.08566	5.0
207.06418	0.2
213.05487	0.4
219.06509	0.3
221.05956	0.2
221.07928	0.3
231.06581	0.7
233.08073	4.8
235.07527	0.2
235.09604	5.3
235.13135	0.2
251.06941	0.3
263.06854	0.4
265.08627	0.5
267.06348	0.3
267.10184	0.2
279.06381	0.2
280.07211	0.5
283.09656	0.3
293.07825	0.5
294.08899	0.3
297.11261	0.6
299.09488	0.2
304.42230	0.2
309.07599	0.3
310.08490	0.5
323.09146	0.3
325.10745	0.8
327.12112	0.3
337.11136	0.2
342.11234	0.2
353.10449	0.3
355.11703	0.5
357.13235	3.2
385.12781	18.6
386.13361	0.6
387.14349	7.0
411.14392	0.3
411.50937	0.3
417.15393	14.1
418.15829	0.4
583.21631	3.3
613.22736	56.6
614.23218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1755
Annotation	Huangqioside E
Peak:m/z	Relative Intensity
53.03929	1.1
55.01873	1.7
57.03429	11.3
61.02911	1.7
65.66792	1.0
68.99786	1.7
69.03417	11.6
69.93549	7.0
71.04980	84.8
73.02899	3.1
75.04460	3.7
81.03447	1.2
83.04964	3.8
85.02890	100.0
86.03228	1.3
87.04464	2.5
95.04960	3.0
97.02882	2.3
99.04420	1.6
100.86342	0.9
107.04974	1.5
110.23729	1.0
111.04446	5.7
121.02885	3.1
123.04415	36.1
124.04691	1.1
127.03894	5.5
129.05460	31.1
131.04947	0.9
133.02795	1.1
135.04385	4.6
137.02345	4.7
139.03899	4.0
145.04935	1.5
147.06528	8.6
148.05978	1.1
149.02318	30.2
151.03876	4.0
153.01801	49.5
161.02303	3.2
163.03880	4.6
165.01845	4.5
167.03384	6.8
168.50189	0.9
171.02887	5.4
173.02347	3.6
175.03841	2.3
177.01820	3.9
179.03383	2.6
181.06503	1.3
183.02873	4.5
185.05939	2.8
187.03894	1.4
191.03406	4.8
195.02866	20.9
203.03392	4.1
209.06129	1.0
213.05458	5.0
215.03365	1.9
217.04936	1.6
219.02789	4.9
219.06525	1.4
221.04323	1.4
221.54106	1.2
225.05443	1.4
231.02962	1.6
231.06497	20.5
235.85722	1.1
236.86052	1.0
241.04893	3.3
245.04408	2.9
249.03722	1.4
255.06386	3.2
255.08798	1.3
257.04333	1.2
258.79495	1.0
259.05972	26.0
259.08661	2.0
261.03882	1.7
263.05450	6.5
269.08029	1.1
271.05923	3.1
281.06491	5.3
283.06027	3.5
285.03842	1.2
287.05466	15.6
297.07416	1.3
299.07578	3.2
301.06998	5.2
305.06516	75.7
306.06845	3.0
311.05493	4.1
317.06470	2.8
325.07013	2.9
329.06516	7.2
347.07611	12.9
369.09344	1.4
371.07495	9.9
395.07712	1.1
397.09109	4.2
415.10284	11.2
425.10788	1.5
431.09561	2.3
433.10992	2.1
449.10580	2.9
451.12347	9.5
461.03302	1.1
467.11823	1.7
537.72473	1.2
560.87836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.8
53.70113	1.6
53.89830	1.6
55.01852	2.8
55.05507	23.0
57.03433	20.0
57.07055	4.7
65.03929	3.4
67.05497	68.9
68.05824	2.4
69.03403	3.4
69.07059	15.6
69.66377	6.9
69.66803	9.2
71.04975	5.1
71.55958	1.8
79.05486	50.4
80.05824	1.9
81.03409	87.6
81.07048	70.1
82.07377	2.2
83.04966	3.9
83.08614	26.8
85.06519	2.9
91.05459	38.0
93.07037	49.3
94.07371	2.8
95.04958	24.5
95.08598	50.3
97.02892	2.0
97.06525	5.0
97.10168	6.3
102.49709	1.8
105.07022	34.8
106.07352	3.6
107.04949	5.4
107.08585	26.7
109.06515	4.8
109.10133	21.7
111.08059	8.6
117.06982	7.7
119.08565	27.1
121.06501	3.9
121.10126	25.5
123.08064	2.9
123.11680	10.5
125.09608	5.7
129.06978	13.4
131.08551	20.3
133.06464	3.5
133.10101	18.5
135.07980	4.9
135.11671	20.9
137.09563	2.3
137.13214	3.7
142.07695	2.9
143.08513	5.1
145.10088	13.7
147.08052	4.0
147.11662	14.5
149.09607	5.2
149.13231	7.3
151.11230	1.9
155.08470	2.0
157.10057	12.3
159.11716	8.6
161.13258	7.1
163.11133	2.6
163.14879	4.2
165.12715	3.1
169.10086	2.0
171.11800	3.5
173.11879	1.7
173.13298	7.5
175.11185	6.3
175.14780	2.9
183.11684	2.5
185.13127	1.8
187.14799	3.0
189.11293	3.7
193.12215	19.8
201.16339	2.8
203.17958	2.9
227.12730	5.5
243.21098	6.1
261.22079	16.9
267.15900	100.0
278.19022	1.9
285.22104	1.9
301.25223	5.7
317.24600	2.3
335.25763	88.7
336.26096	5.4
435.32761	4.3
443.59741	2.0
453.33606	6.0
471.34738	2.6
527.29895	3.1
527.37341	56.5
527.45154	3.4
545.38293	29.3
594.26300	3.5
594.46356	2.8
612.28009	12.6
612.36841	2.7
612.47260	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01862	5.3
55.05244	1.0
55.05504	19.1
57.03429	10.0
57.07065	1.5
59.04977	1.5
65.03912	2.9
67.05496	36.2
68.05830	1.2
69.03413	2.7
69.07059	15.3
69.61209	8.6
71.04989	4.3
71.08620	9.7
74.09727	0.9
77.03905	0.9
79.05482	32.4
81.02940	1.4
81.03405	21.6
81.07043	37.5
82.07386	1.4
83.01317	2.8
83.04963	12.9
83.08605	14.0
85.02897	7.1
85.06546	2.5
86.07854	0.9
91.04924	1.8
91.05466	31.2
93.07033	35.1
95.01304	1.0
95.04947	17.3
95.08586	20.4
97.02894	2.2
97.06527	6.1
97.10147	5.1
99.08070	7.2
103.05450	1.0
105.07013	24.7
107.04919	7.0
107.07912	1.4
107.08579	18.3
109.06508	8.1
109.10142	7.4
111.04421	1.4
111.08070	7.2
113.05978	2.2
115.05453	1.5
117.07011	8.1
119.08563	15.6
121.06472	4.9
121.10122	18.1
123.04380	1.0
123.08011	5.7
123.11678	2.9
125.09598	3.4
127.07520	1.0
128.06157	1.8
129.06978	7.0
131.08560	9.8
133.06516	2.3
133.10114	14.0
135.08022	3.4
135.11671	10.7
137.09608	1.8
139.11124	1.5
142.07744	1.1
143.08484	2.0
145.10112	10.0
147.04402	3.7
147.08022	1.6
147.11638	8.6
149.09612	4.1
149.13216	6.9
151.11162	6.3
155.08540	1.2
157.10085	6.3
159.11655	5.7
161.09602	1.6
161.13210	3.1
163.11142	14.9
165.12674	1.5
171.11604	2.1
173.09633	2.2
173.13255	1.2
175.11168	5.0
177.12730	2.7
179.14299	1.9
185.13240	1.1
189.11230	2.1
191.14438	1.1
193.12231	14.2
195.13803	3.2
203.14171	0.9
209.11726	1.7
211.13280	16.2
214.11151	1.0
227.12820	5.2
241.19502	1.6
259.13257	1.9
259.20554	4.0
260.13504	1.6
267.15878	9.0
269.17401	5.7
275.20010	5.0
277.21558	5.0
283.15372	20.3
285.16888	19.2
293.21063	52.8
325.18130	0.9
333.24185	1.9
334.16797	1.1
349.23737	1.4
351.25217	7.1
367.19485	1.8
367.24634	11.9
380.16107	1.5
381.16998	1.9
381.23041	1.0
395.18600	3.1
396.19318	3.6
409.15970	1.7
409.20630	1.2
410.20691	1.1
411.21548	2.1
423.18170	3.9
424.18896	3.7
425.19553	1.1
437.20010	1.4
438.20352	3.3
439.21176	7.8
451.17715	3.7
452.18271	1.7
453.19116	1.2
461.28778	1.6
465.19199	3.7
466.19846	4.0
467.20740	1.6
477.28397	67.2
478.28543	3.3
479.20688	3.9
479.29919	1.2
493.22330	2.6
495.19482	1.2
497.24942	1.2
510.22556	1.8
525.25146	9.4
538.21881	2.8
541.35089	1.5
543.36285	2.0
552.26837	1.4
553.24341	19.7
559.36432	12.1
577.37244	11.7
595.25299	1.3
595.35852	1.3
598.24030	1.1
612.28461	10.1
613.26477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01870	12.5
55.05269	2.8
55.05506	35.2
56.00045	1.9
56.59254	1.9
57.03438	22.7
57.07070	1.9
59.04964	2.4
64.67247	2.1
65.03962	2.7
67.05495	78.5
69.03414	7.1
69.07060	35.5
69.47967	2.1
69.61912	17.8
71.04993	14.1
79.05484	74.2
81.03407	63.5
81.07043	100.0
83.04969	28.3
83.08609	36.2
85.02893	28.3
85.06512	6.1
91.05461	79.1
92.05805	2.4
93.07031	79.8
95.04953	39.1
95.08595	40.4
97.06514	20.5
97.10173	10.2
99.08089	7.1
100.91705	2.1
105.07011	59.1
106.07381	2.7
107.04945	16.7
107.08582	37.1
109.06512	13.0
109.10172	12.4
111.04427	3.0
111.08072	17.5
113.05990	3.1
115.05405	2.9
117.07013	15.3
119.08559	42.7
121.06493	6.7
121.10134	27.6
123.04395	2.6
123.08056	6.6
123.11668	6.8
125.09603	6.6
129.06978	18.5
131.08553	30.3
133.06447	2.7
133.10112	32.8
135.08060	6.0
135.11656	14.4
137.09625	5.3
141.06947	2.7
141.11407	2.0
142.07715	4.8
143.08534	3.7
145.10091	18.3
145.70642	2.5
147.04349	6.3
147.08020	6.0
147.11658	27.4
149.09599	24.2
149.13268	11.7
151.11139	2.9
155.08580	2.4
157.10097	19.7
159.11658	12.6
161.13257	3.6
163.11128	12.1
165.12704	5.1
169.10130	2.8
169.90627	1.9
171.11690	3.8
173.13237	5.5
175.11166	20.1
177.12715	5.3
179.14261	4.3
183.11684	2.6
187.11145	3.0
189.11301	3.2
191.06972	7.6
193.12215	55.3
195.13814	9.2
197.13165	3.1
205.11890	2.1
211.13263	79.1
227.12759	4.4
229.19402	3.0
239.17999	3.5
255.15872	18.9
256.26477	3.2
257.18994	7.9
267.15881	35.8
269.17407	27.2
275.20032	34.2
285.16937	68.6
349.23743	29.8
367.24533	2.6
383.11118	3.6
411.11319	2.6
447.27350	7.6
461.28955	21.2
465.28329	18.1
479.30063	75.8
480.30533	3.4
500.04715	2.3
541.35022	8.5
559.36047	17.0
577.36731	4.3
612.35303	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79086	0.4
53.03935	1.4
55.01854	1.2
55.05247	0.9
55.05503	11.3
57.03434	3.3
57.07066	3.0
59.04984	0.7
65.03936	1.1
67.05494	21.5
69.07056	11.5
69.90922	3.3
70.80432	0.4
71.04984	1.3
71.08610	0.9
79.05483	14.1
81.07047	24.0
83.04974	1.2
83.08608	6.6
85.06530	1.3
87.83356	0.4
91.05463	12.8
93.06439	0.9
93.07030	17.7
95.04939	2.0
95.08595	20.2
97.06503	2.3
97.10150	3.4
98.20807	0.9
99.08086	0.9
105.04476	0.4
105.07016	16.2
107.04939	0.5
107.08575	13.9
107.09261	0.9
109.06493	1.1
109.10143	9.2
111.08095	1.0
115.05441	1.6
117.07007	7.8
118.18813	0.5
119.07756	0.8
119.08573	13.2
121.06487	0.5
121.10124	9.2
123.08034	1.1
123.11685	4.1
125.09590	1.2
125.13208	0.5
128.06233	1.6
129.06989	7.8
130.07776	1.0
131.08546	16.0
133.10112	9.8
135.11659	8.3
137.09619	0.8
137.13249	1.8
141.06920	2.5
142.07770	1.3
143.08543	10.4
144.09277	1.0
145.10103	15.0
147.11664	5.3
149.09662	0.7
149.13232	2.7
151.11229	0.5
153.06935	0.6
154.07826	0.8
155.08537	6.5
156.09334	0.9
157.10107	11.2
158.10872	0.4
159.11667	9.4
161.09637	0.6
161.13237	3.6
163.11212	1.0
163.14825	0.5
167.08577	1.9
168.09294	0.7
169.10107	8.8
170.10872	0.6
171.11665	8.9
173.09532	0.5
173.13239	6.5
175.14851	2.2
177.16386	0.9
179.08495	0.6
179.14352	1.3
181.10106	3.0
182.10944	0.5
183.11658	6.7
185.13232	7.1
187.14798	4.4
189.16417	1.7
191.17928	1.2
193.10170	0.9
195.11638	3.1
197.13254	5.1
199.14792	4.6
201.16388	3.8
203.17918	2.9
205.19489	0.8
207.11734	0.7
209.13239	3.6
211.11223	0.5
211.14799	3.8
213.16425	3.3
215.17915	2.4
217.08536	0.5
217.19518	0.6
221.13309	1.3
223.14847	2.5
225.16386	3.0
227.18120	2.3
229.19513	1.8
233.18945	0.5
235.14870	1.3
237.11224	0.8
237.16354	1.2
239.17947	2.2
241.15750	0.7
241.19574	1.9
243.21144	1.1
247.14691	0.5
251.17873	1.1
253.19508	1.4
255.17299	0.6
255.21193	0.9
257.22583	0.7
261.22223	0.6
263.18124	0.5
265.19470	0.9
267.21207	1.0
269.22592	0.5
275.20242	0.6
277.21753	1.0
283.20477	0.7
285.18527	0.8
285.22095	0.6
293.22299	0.5
295.20615	0.5
297.21918	0.8
309.22061	0.7
311.20255	0.6
311.23648	0.8
313.25278	0.7
315.23343	0.5
325.25302	0.7
337.25211	0.6
339.26642	0.6
353.28510	1.8
357.20523	0.9
367.26147	0.7
367.30283	0.8
393.31805	0.6
395.33325	0.6
397.31128	0.8
407.33310	0.8
409.31201	0.8
419.33115	0.6
441.33765	0.7
449.34311	0.8
455.35358	0.5
463.32138	0.9
475.35049	0.9
499.33972	0.6
501.40894	1.7
503.37598	0.5
519.41913	7.2
523.38141	0.9
525.32306	0.5
529.38861	0.6
537.42950	4.9
541.38812	1.1
549.39478	0.5
555.43921	0.5
565.90894	0.8
575.44867	1.1
577.96741	0.6
593.37817	1.0
593.45813	9.2
594.46320	1.0
611.46619	100.0
612.46790	6.9
612.56061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03945	1.9
55.01866	1.5
55.05507	14.8
57.03422	3.2
57.07062	4.2
59.04994	1.0
65.03925	1.9
67.05499	34.7
69.07061	16.2
71.04987	2.2
71.08622	1.7
73.04741	0.6
75.04478	0.7
77.03929	0.7
79.05487	22.7
80.64248	0.6
81.03416	1.8
81.07048	37.6
82.07388	0.9
83.04977	1.6
83.08607	6.9
83.09064	0.6
85.06544	2.5
91.05466	23.7
92.05816	0.7
93.07034	30.3
95.04986	4.7
95.08598	28.7
97.06532	2.1
97.09649	0.5
97.10157	3.4
98.21482	1.2
99.08093	1.6
103.05485	0.6
105.07021	22.9
106.07380	0.6
107.04968	0.6
107.08586	19.7
108.08944	0.7
109.06496	1.7
109.10151	13.8
111.08096	1.8
115.05418	1.3
117.07009	10.4
119.08572	21.6
120.08936	0.8
121.06544	0.8
121.10136	14.0
121.10962	0.9
122.10405	0.6
123.08057	1.2
123.11699	5.8
125.09620	1.2
127.11237	0.7
128.06216	1.7
129.06987	8.6
130.07767	0.8
131.08556	19.3
133.10115	17.5
135.08090	1.5
135.11684	11.5
137.13220	1.4
139.11198	1.0
141.06990	2.5
142.07799	1.9
143.08553	11.8
144.09265	1.0
145.08960	0.8
145.10120	16.7
145.11221	1.2
147.08008	0.9
147.11670	13.5
149.09605	1.4
149.13243	5.0
151.11145	0.8
151.14828	0.7
155.08554	5.9
156.09288	0.9
157.10112	10.5
158.10568	0.6
159.08029	0.6
159.11673	11.9
161.13240	9.0
163.11169	1.8
163.14819	2.9
167.08540	1.6
169.10146	6.2
170.10641	0.8
171.11678	9.6
172.12325	0.8
173.09726	1.1
173.13246	8.3
175.11151	1.3
175.14786	5.7
177.12779	0.8
181.10107	3.1
182.10873	0.5
183.11681	5.8
185.13231	7.8
187.14784	5.6
189.16426	1.7
191.14247	0.7
193.10075	0.9
195.11642	2.7
197.13210	4.7
199.14803	6.0
201.12729	1.0
201.16423	4.8
203.17943	3.3
204.18158	0.6
207.11728	1.0
209.13313	2.3
210.13762	0.6
211.14902	2.8
213.12637	0.6
213.16377	3.9
215.18004	1.9
217.15877	0.7
217.19513	0.8
219.10194	0.9
221.13364	0.7
223.14822	2.1
225.16403	2.3
227.17972	2.3
229.19533	1.2
230.01707	0.9
231.17502	0.8
237.11342	1.0
237.16405	1.5
239.18042	2.6
241.19576	6.4
243.21165	1.1
253.19597	0.9
255.21039	1.2
257.18939	2.6
259.20551	10.7
261.22156	2.7
267.21219	1.0
269.22745	0.7
275.20050	0.6
277.21692	1.2
283.20468	1.0
287.23615	0.8
297.22217	1.1
299.23737	0.7
311.23578	1.2
325.25302	0.9
327.23294	0.7
333.24246	6.6
335.25806	11.5
336.26242	0.7
337.28778	0.6
339.27032	0.9
341.24579	0.7
351.26367	0.9
357.20755	1.2
367.29907	0.8
393.31842	0.9
449.33936	0.8
453.26764	0.9
501.41220	1.0
519.41760	5.3
527.36914	1.0
537.43420	2.9
541.38568	0.9
551.25757	0.7
565.91449	0.8
575.44409	0.8
576.39581	0.7
593.38257	1.0
593.45868	6.8
611.46619	100.0
612.47168	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03929	1.9
55.01857	1.3
55.05504	16.8
57.03426	6.1
57.07070	3.5
57.42598	0.7
60.06920	0.8
65.03939	2.2
67.05495	43.8
69.03419	1.1
69.07057	15.6
69.84461	5.1
71.04977	1.7
71.08619	0.9
71.64944	0.7
79.05480	30.9
81.03402	0.9
81.07045	45.5
83.04955	1.8
83.08604	7.6
85.06545	1.6
88.02341	0.8
91.05461	29.9
93.07029	36.3
95.04973	4.1
95.08591	34.4
97.06527	2.0
97.10159	3.4
98.21488	1.3
99.08074	1.4
105.07013	32.0
107.04883	0.9
107.08575	25.3
109.06533	1.0
109.10146	15.4
111.08051	1.3
115.05492	1.3
117.07002	12.8
119.08559	28.4
121.06457	1.3
121.10129	23.7
123.08065	2.3
123.11676	6.7
125.09618	1.9
128.06232	2.5
129.06990	9.2
131.08545	22.1
132.16356	0.8
133.10110	22.7
135.07982	0.9
135.11670	16.0
137.13266	2.7
141.06979	2.2
142.07794	2.5
143.08545	13.1
144.09219	0.7
145.10107	22.6
147.11665	17.5
149.09605	1.0
149.13245	8.1
151.14777	0.6
155.08488	4.8
157.10095	9.7
159.08058	0.8
159.11678	15.3
161.09612	1.1
161.13228	13.9
163.11198	2.9
163.14832	2.8
165.12726	0.8
167.08617	1.4
169.10094	7.7
169.93391	0.7
171.11659	11.7
173.13220	12.6
175.14792	7.2
177.12759	1.2
177.16393	1.2
181.10094	2.0
183.11632	5.9
185.13217	8.6
187.14783	6.3
189.12697	0.8
189.16426	2.4
191.17935	1.0
195.11757	2.4
197.13211	5.8
199.14775	6.9
201.16321	4.8
203.17880	2.3
209.13278	2.7
211.14804	3.6
213.16388	3.5
215.17978	2.6
217.15898	1.3
219.17453	1.7
219.21117	0.7
223.14832	1.6
225.16399	2.1
227.18063	1.4
229.19513	1.7
231.21143	2.8
237.16464	1.2
239.18015	2.2
241.19560	10.6
243.21074	2.0
255.21173	1.2
257.19009	4.1
259.20541	19.7
261.22147	3.3
273.22165	0.8
277.21667	0.9
287.23468	0.9
297.22174	1.4
299.23657	1.0
309.59677	0.8
311.23434	1.0
313.25467	1.1
315.23230	2.0
325.25180	0.9
333.24207	12.8
335.25800	18.4
337.27512	2.2
351.26483	1.0
353.28580	1.8
355.19247	0.8
357.20578	1.4
461.32779	1.0
489.35757	1.3
503.36868	1.2
518.95819	0.9
519.42084	6.1
529.38373	0.9
537.42975	4.1
541.38770	1.5
593.38397	0.9
593.45941	8.4
611.46619	100.0
612.47119	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	611.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28444	2.1
53.54543	1.6
55.05500	2.3
57.03425	2.4
57.07057	7.2
67.05494	4.1
69.07053	4.7
71.00917	4.2
71.01261	2.0
73.52106	1.6
79.05481	4.1
81.07047	14.5
86.70927	1.7
87.44572	1.6
91.05439	3.3
93.07009	7.7
95.08574	4.9
103.22316	1.6
105.07009	18.8
107.08593	11.3
109.10124	5.7
119.08566	17.8
121.06460	2.0
121.10088	6.9
123.11674	21.6
129.07030	2.2
131.08534	4.5
133.10135	9.8
135.08025	6.0
135.11668	7.6
143.08545	6.1
145.10080	4.3
147.08037	3.1
147.11752	4.7
149.09598	7.3
151.03893	4.2
157.10159	1.7
159.11775	2.4
161.09573	8.1
161.13217	1.6
163.03862	7.7
163.07529	1.8
164.64670	1.8
171.08003	5.0
173.13290	1.9
175.03973	2.4
175.07520	11.5
179.03360	4.8
189.09096	15.5
197.04401	2.3
199.07549	8.6
203.17993	5.3
205.08699	2.5
217.08569	97.2
218.08881	3.8
219.10156	2.6
223.09543	2.5
233.29958	1.7
235.09624	79.5
236.10013	3.2
237.11209	2.8
253.10730	2.0
293.41461	1.7
339.19409	5.3
357.20538	100.0
358.20825	6.5
365.55698	1.9
375.21661	5.7
437.26825	30.9
438.27374	2.2
611.46088	4.1
620.00775	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Rutine
Peak:m/z	Relative Intensity
53.10499	0.2
57.03431	1.3
61.02903	0.4
68.99800	0.2
69.03404	0.8
69.72942	1.5
71.01319	0.2
71.04982	8.6
73.02896	0.3
75.04469	0.3
81.03409	0.3
82.78217	0.2
83.04977	0.4
85.02891	12.5
87.04424	0.3
91.03918	0.3
97.02866	0.8
99.04449	0.3
109.02828	0.3
111.00782	0.5
121.02770	0.2
127.03880	0.8
129.04567	0.3
129.05464	3.4
132.39674	0.2
137.02303	1.0
145.04950	1.0
147.06494	1.2
149.02231	0.2
153.01790	1.2
162.21449	0.2
165.01802	1.0
183.02855	0.4
201.05379	0.6
229.04933	1.6
247.06068	0.4
257.04266	1.0
285.03897	0.7
303.04947	100.0
304.05298	0.9
344.62314	0.2
465.10052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01869	3.6
55.05502	19.8
57.03419	3.1
57.07061	5.6
59.38175	2.2
60.87391	1.9
67.05134	3.8
67.05495	49.4
69.07047	22.4
71.04996	2.6
71.08623	24.8
71.81931	4.3
76.39919	2.5
79.05486	44.4
81.03427	4.5
81.07046	56.1
83.04971	5.9
83.08604	7.9
91.05463	60.3
93.07030	61.6
93.07573	3.9
95.04964	12.7
95.08596	36.2
97.06535	9.5
97.10168	4.1
99.08085	18.2
105.07009	55.6
105.07712	3.1
107.04933	11.9
107.08574	31.4
109.06528	6.3
109.10128	17.1
111.08135	3.6
113.09643	3.3
116.12909	2.3
117.06985	16.6
119.08569	42.6
121.10123	30.1
123.11687	5.6
129.06201	2.3
129.07042	9.5
131.08548	21.6
133.10117	31.0
135.11681	30.8
137.09695	3.4
141.09032	3.0
143.08566	10.1
145.10089	18.6
147.11676	18.2
149.13258	8.2
151.11220	7.9
155.08534	4.5
157.10158	7.7
159.11679	15.4
161.09700	4.1
161.13264	16.2
163.11183	10.4
163.14897	3.5
165.05475	2.7
169.10088	3.4
171.11736	6.8
173.13309	7.5
175.14877	3.4
177.12776	4.8
179.14296	61.6
185.13321	7.2
187.14795	4.4
189.12714	2.8
197.13356	4.1
199.14816	4.9
201.16411	2.7
235.16998	3.5
241.19580	10.5
257.19247	2.8
259.20615	10.3
261.22232	2.9
275.10321	2.7
275.19977	15.3
277.21564	41.7
315.23120	18.1
317.24826	4.0
351.25342	9.8
355.07208	3.0
457.28296	2.7
483.34247	2.7
487.30670	2.6
517.40222	2.5
524.90491	3.0
591.44208	3.0
609.35687	4.9
609.45123	100.0
610.45972	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	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01863	2.4
55.05504	13.3
57.03428	3.2
57.07065	3.1
65.03947	0.9
67.05499	26.6
69.03422	0.9
69.07059	12.7
71.04989	1.4
71.81895	0.8
79.05486	18.7
81.03384	1.4
81.07048	28.1
83.04967	1.7
83.08623	6.9
85.06538	1.5
85.30080	0.8
91.05469	18.4
93.07037	23.4
95.04960	3.0
95.08600	22.6
97.06538	2.4
97.10154	3.6
99.08105	0.9
105.07023	17.1
105.07715	1.2
107.04925	1.7
107.07891	1.5
107.08584	16.0
107.09239	1.5
108.26751	0.7
109.06525	2.5
109.10136	11.4
109.10758	1.0
111.08060	1.1
116.96138	0.7
117.07011	9.4
119.08564	15.1
119.09395	0.9
120.16776	0.8
120.90160	0.7
121.06492	1.1
121.10137	9.1
123.08092	1.3
123.11710	3.5
125.09568	0.9
128.06264	2.6
129.06976	8.3
130.07814	1.3
131.08554	13.4
133.10104	11.9
135.11664	9.1
141.06973	5.0
142.07753	2.5
143.08537	9.9
145.10124	13.4
147.11690	6.4
149.09624	2.8
149.13263	3.2
153.07068	1.4
154.07861	1.1
155.08551	9.3
157.10118	11.6
159.11678	9.5
161.09615	1.1
161.13210	3.8
163.11203	2.6
163.14790	1.0
165.05502	1.0
166.07813	0.9
167.08492	3.9
168.09380	1.6
169.10123	11.6
171.11693	10.6
173.13242	5.9
175.14819	2.5
179.08604	1.1
181.10123	6.9
183.11662	12.2
185.13194	7.7
187.14764	3.9
189.16379	1.8
193.10229	1.9
195.11728	6.2
197.13243	7.3
198.67375	1.0
199.14755	5.7
201.12888	0.9
201.16415	2.0
203.18007	0.9
207.11732	2.9
209.13231	4.8
210.13858	1.0
211.14803	4.8
213.16423	3.2
215.17938	0.9
217.16029	0.8
221.13316	3.5
223.14742	4.3
225.16458	3.3
227.18037	2.5
235.14914	2.0
237.16367	3.8
239.18011	2.7
245.18985	1.0
249.16382	1.5
251.17964	1.9
257.19016	2.5
263.17963	1.1
275.20096	4.5
277.19400	0.8
279.21005	1.3
281.22696	1.1
293.21350	0.8
297.22055	1.1
303.15863	1.1
309.22394	0.8
311.23798	1.0
313.21902	1.3
313.25327	1.0
321.22208	1.5
323.23639	1.1
335.26086	1.1
337.25348	1.1
339.23364	0.8
349.24924	1.1
351.26880	1.5
363.26657	1.0
407.22299	1.4
407.29346	1.4
409.30914	1.0
435.21844	2.5
435.32870	1.1
447.32355	2.2
462.20731	2.6
463.21194	1.7
475.21277	1.0
499.39163	0.9
513.35535	1.2
517.40497	7.7
521.35760	1.7
535.41193	4.1
539.37463	1.5
549.25098	8.0
550.25818	1.2
573.42932	0.9
591.44165	8.7
609.27887	21.7
609.45087	100.0
610.27618	3.2
610.45642	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	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03935	1.5
53.44158	0.6
55.01854	0.9
55.05509	10.8
57.03428	2.7
57.07056	2.9
65.03935	0.9
67.05500	18.0
68.62801	0.6
69.07055	8.8
69.37928	0.7
70.26590	3.4
71.04973	1.0
73.02913	0.7
79.05486	14.1
81.06610	1.5
81.07051	20.1
83.04996	1.3
83.08621	5.4
85.06543	1.8
91.05468	12.1
93.07038	13.7
95.04978	2.2
95.08597	17.1
97.06506	2.2
97.10160	2.8
100.55720	0.8
101.05968	0.7
103.05465	1.0
105.07022	12.2
106.20604	0.7
107.08578	10.1
109.06528	1.5
109.10137	7.6
111.08040	1.5
115.05415	1.1
117.07003	7.5
119.08575	11.6
121.06429	1.0
121.10123	13.5
123.08079	1.1
123.11723	1.7
125.09653	1.2
128.06227	2.3
129.07007	8.5
131.08568	10.5
133.10117	10.1
135.11676	5.2
137.13240	1.2
141.07024	3.4
141.93933	0.8
142.07788	2.8
143.08543	11.0
145.10097	10.8
147.11694	5.7
149.09650	1.2
149.13263	2.0
153.07018	0.8
155.08542	10.0
156.09338	1.4
157.10120	10.7
159.11681	7.9
161.13261	2.9
163.11201	1.6
165.07002	0.9
167.08533	5.0
169.10123	14.0
171.11659	9.3
173.09662	0.8
173.13228	4.2
175.14839	2.0
179.08588	2.0
181.10120	5.7
182.10953	1.3
183.11674	11.3
183.13148	1.0
185.13220	6.8
185.66129	0.8
187.14871	2.5
189.16341	1.2
193.10164	3.1
194.10916	1.1
195.11687	8.2
197.13255	10.6
199.14845	5.2
201.16441	1.9
207.11775	3.1
208.12543	1.0
209.13223	7.1
210.14091	0.8
211.14806	6.6
213.16408	4.7
217.15778	1.0
221.13258	2.2
223.14777	5.6
223.83836	0.8
225.16347	4.3
227.17995	3.2
229.19534	1.0
233.13330	0.9
235.14828	2.4
237.16422	3.9
239.17960	3.0
241.19623	1.1
247.14827	1.2
249.16437	1.4
251.18091	1.6
253.19501	1.7
255.21088	1.3
263.17761	1.3
265.19751	1.7
267.21237	1.1
275.20282	1.0
277.19489	0.8
279.21152	1.3
283.20422	1.0
313.21570	1.0
323.23691	1.1
335.23605	1.4
337.25031	0.9
342.40872	0.7
349.25125	1.0
351.26819	1.4
355.19028	1.1
357.20636	1.1
363.26733	1.2
365.28494	1.6
377.28403	1.1
379.26266	0.9
399.87793	0.8
417.31253	0.9
421.30759	1.0
433.31247	1.1
449.34406	0.9
461.34027	0.9
499.39337	2.4
517.40558	12.5
521.36420	0.9
535.41602	6.6
539.37115	1.0
543.39337	0.8
555.42639	1.1
573.42572	1.8
591.35291	1.4
591.44086	14.6
609.45105	100.0
610.45868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02372	0.6
53.03934	1.1
54.26307	0.4
55.01847	0.9
55.05505	10.8
57.03437	2.7
57.07066	2.0
57.63923	0.4
65.03924	0.7
67.05151	1.1
67.05497	18.6
69.07056	9.0
69.28480	0.5
70.46550	2.2
71.05005	1.2
77.03926	0.6
79.05485	12.4
81.07045	19.8
83.04938	0.8
83.08601	5.6
85.06542	0.7
91.05463	9.5
91.19402	0.5
93.07035	13.3
95.04948	1.6
95.06089	0.5
95.08597	15.2
97.06521	1.4
97.10165	2.9
99.08051	0.8
105.07019	12.5
107.08579	8.5
109.06531	0.9
109.10145	7.4
111.08063	1.0
115.05420	0.8
115.41718	0.5
117.07017	5.9
119.08564	11.0
121.10137	6.3
123.08071	1.0
123.11715	1.6
125.09653	1.1
128.06190	2.6
129.06979	7.5
131.08546	10.6
133.10115	8.4
135.08080	0.7
135.11659	4.1
137.09669	0.8
137.13315	0.7
141.06963	4.7
142.07753	2.4
143.08554	10.1
145.10121	10.4
145.61899	0.6
147.11682	5.1
149.09647	0.6
149.13260	2.0
153.06934	0.6
154.07788	1.2
155.08527	8.6
156.09326	2.1
157.10109	11.0
159.11693	7.8
161.13216	2.4
163.11200	0.9
165.06981	1.1
166.07748	0.6
167.08514	4.6
168.09335	1.4
169.10126	10.9
171.11649	8.8
173.13243	5.5
175.14828	2.3
177.12759	0.6
177.16408	0.5
179.08572	2.1
180.09343	0.9
181.10101	6.5
182.10846	1.4
183.11661	12.6
183.13158	0.8
185.13248	6.8
187.14868	2.2
189.16330	1.0
193.10135	2.6
195.11659	7.6
196.12447	0.5
197.13234	9.4
198.13837	0.8
199.13264	0.9
199.14807	4.3
201.16414	1.2
203.17886	0.7
205.10176	0.8
207.02513	0.6
207.11693	2.2
209.13228	6.8
210.14037	0.8
211.14766	5.5
213.16382	3.5
215.18059	0.9
219.11743	0.9
221.13295	2.8
223.14766	4.0
225.16376	3.5
227.18044	2.7
233.13281	1.1
235.14859	1.7
237.16434	3.4
239.17987	2.9
241.19673	1.2
247.14932	0.9
249.16478	1.4
251.17966	1.9
253.19577	1.2
255.17462	0.6
255.21143	0.6
257.19089	0.9
261.16449	0.7
263.17993	0.9
265.19495	1.1
267.20886	0.7
269.18842	0.5
277.19382	0.7
279.21143	0.9
281.22852	0.8
283.20413	1.0
285.21942	0.7
294.78976	0.6
295.20447	0.7
297.18604	0.5
297.21933	0.8
307.20398	1.0
309.22055	0.8
313.21848	0.8
313.25354	0.5
318.40204	0.5
321.22165	1.4
323.23535	0.8
325.21671	0.6
333.21805	0.5
335.23718	1.3
337.25336	1.3
339.26736	0.6
349.25391	1.0
351.26743	1.4
353.24368	0.7
363.26981	1.1
365.28436	1.1
367.26306	0.5
369.28235	0.6
377.28369	1.3
379.26019	0.8
379.30325	0.6
383.29556	0.6
385.27570	0.5
391.30072	0.9
393.27374	0.8
395.29312	0.6
403.29242	0.6
407.29416	0.7
433.31076	0.7
435.32541	0.6
447.32343	1.5
449.34467	0.7
461.33923	0.9
475.34668	0.6
489.35742	0.5
499.39270	1.7
501.35501	0.6
517.40411	10.8
518.40729	0.8
521.36041	0.9
535.41394	6.2
539.37134	2.0
541.38873	0.7
573.42566	1.0
579.44305	0.8
591.43976	14.0
609.25922	3.3
609.45062	100.0
610.27350	1.5
610.45593	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.5
54.39210	1.2
55.01857	5.6
55.05267	1.7
55.05503	22.0
57.01998	1.1
57.03430	11.3
61.02912	1.6
65.03922	2.4
67.05130	2.6
67.05492	46.4
68.06232	1.2
69.03419	15.5
69.07055	13.4
70.07966	7.3
71.01332	3.2
71.04971	6.0
72.60485	1.0
79.05480	41.9
81.03403	89.6
81.07042	32.7
83.04962	21.8
83.08607	14.1
85.02887	15.6
85.06516	3.6
89.48368	1.1
91.03922	1.2
91.05461	42.0
93.07028	43.5
95.04944	23.8
95.08586	12.9
97.02866	13.7
97.06499	10.2
97.10150	10.3
99.04439	6.1
99.08054	2.7
103.05451	1.5
105.04524	1.3
105.07017	20.5
107.04925	8.3
107.08569	24.8
109.02859	13.0
109.06516	5.7
109.10143	9.1
111.04426	13.3
111.08063	6.6
113.06001	2.1
115.05452	2.4
117.07004	10.4
119.05000	1.4
119.08564	17.4
121.06483	4.6
121.10127	10.3
123.04399	1.3
123.08045	2.5
123.11668	1.6
125.06029	1.5
125.09595	4.5
127.03899	9.7
128.06175	1.8
129.06985	8.8
131.04895	2.1
131.08549	11.7
133.06480	3.8
133.10115	10.1
135.08009	2.7
135.11661	27.0
137.09578	2.4
141.06956	1.9
142.07765	1.9
143.08511	2.3
145.06477	4.2
145.10098	9.0
147.08054	3.5
147.11647	9.5
149.05989	1.2
149.09630	4.6
153.12724	4.3
155.08516	1.6
157.06471	1.3
157.10077	9.6
159.08057	2.0
163.11192	10.3
165.12721	3.4
169.10019	1.8
171.11714	2.2
173.04405	1.4
173.09578	1.6
175.11139	8.1
181.12215	12.0
183.11664	1.5
187.11270	1.4
191.10623	2.8
193.12206	24.2
199.11348	1.3
199.13205	2.2
201.12729	1.2
205.08658	2.0
211.11243	2.8
211.13248	38.6
211.15140	2.2
227.10774	1.4
227.12614	6.9
229.12187	2.1
229.14250	1.6
231.13783	1.6
235.13214	2.5
237.14969	1.7
243.13702	1.6
245.70132	1.2
249.14859	1.2
253.14365	1.8
253.32494	1.1
255.15913	12.7
267.15863	6.7
283.15445	2.1
285.16943	3.9
289.14206	1.4
301.14389	1.6
307.15436	1.9
309.17029	2.5
325.16238	5.7
337.16605	3.6
338.87805	1.1
355.17551	6.8
355.22766	3.3
363.17950	1.9
373.23608	1.7
381.19153	3.7
393.19250	1.9
399.20279	1.3
411.20078	6.0
411.24838	2.1
421.25882	1.9
429.26343	4.7
447.27350	28.8
465.28442	14.8
489.28448	2.6
531.29443	1.5
543.29382	2.0
555.29279	3.2
573.31012	1.5
588.76489	1.3
591.31342	8.9
609.32599	100.0
610.33020	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	609.3263
Annotation	5-Acetoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
51.02361	1.6
53.03937	11.9
55.01857	5.9
55.05503	27.2
57.03429	16.7
57.07064	1.2
61.02911	2.7
65.03928	3.4
67.05495	55.6
69.03419	22.4
69.07056	14.7
69.76217	1.7
69.76548	9.8
69.99306	1.1
70.07387	1.3
71.01361	3.3
71.04983	10.5
73.02895	2.5
79.05025	2.8
79.05482	54.5
81.03407	98.3
81.07045	47.8
82.03719	1.6
82.06564	1.3
82.93168	1.2
83.04971	26.5
83.08608	15.3
85.02894	20.5
85.06531	4.2
87.04443	2.1
88.80936	1.2
91.05464	43.7
93.07032	60.9
94.06562	4.0
94.07390	1.9
95.04957	27.4
95.08591	23.4
96.08884	1.4
97.02880	21.0
97.06522	13.6
97.10156	12.7
99.04427	6.8
99.08085	4.1
105.04493	1.5
105.07021	27.4
107.04938	10.4
107.08575	33.1
109.02856	19.0
109.06477	9.3
109.10135	11.5
110.09722	2.0
111.04452	15.3
111.08065	10.2
113.06030	2.1
115.05441	2.8
117.07006	10.4
119.04910	1.2
119.08569	21.0
121.06506	5.9
121.10119	16.4
122.09663	7.9
123.04446	3.3
123.08065	10.0
123.09995	2.4
123.11731	6.0
123.17589	1.1
125.06001	1.6
125.09631	5.4
127.03891	16.3
127.07550	1.7
128.10718	5.9
129.05479	2.3
129.06979	11.1
131.04965	2.0
131.08542	10.7
133.06499	5.7
133.10123	13.4
135.04385	2.4
135.08073	4.1
135.10632	1.7
135.11678	34.6
135.12654	2.4
137.05965	3.6
137.09573	2.6
139.03871	2.0
140.10690	21.1
141.06953	3.0
141.09105	2.3
141.11023	5.8
142.09428	1.3
143.08554	5.0
145.06453	3.9
145.10118	13.1
147.04390	1.7
147.08034	4.0
147.11665	14.8
149.05998	1.8
149.09578	6.2
151.11137	2.7
153.09093	1.3
153.12743	3.8
155.08549	2.3
157.06450	2.0
157.10118	10.7
159.08005	2.3
159.11649	1.9
161.09608	1.9
162.72110	1.2
163.07524	1.9
163.11163	11.9
165.05475	1.6
165.12750	4.8
167.08635	2.0
169.10117	1.9
171.08154	1.7
171.11690	3.7
173.04456	2.5
173.09625	2.9
175.11153	9.9
177.09106	1.4
177.12779	2.0
181.04922	1.4
181.12207	14.5
183.06480	2.2
183.11765	2.1
183.13739	1.9
185.09593	2.3
185.13268	1.7
187.11186	1.6
189.11188	2.7
189.12758	1.8
191.10657	3.9
193.08409	1.5
193.12227	23.6
199.11201	1.7
199.13248	2.1
201.12589	1.8
203.10666	1.6
205.08528	1.7
209.13374	1.9
211.11244	3.1
211.13245	35.2
221.15501	1.9
225.12640	1.3
227.12723	5.8
228.98753	1.2
229.12283	1.3
236.09908	1.7
247.13313	1.6
249.14954	3.6
253.10597	3.2
253.14394	3.0
254.11063	4.7
255.15906	23.9
259.13440	1.5
261.14841	1.8
267.15836	11.3
273.14890	2.4
277.14368	2.1
283.15463	2.3
285.17035	5.3
289.14508	2.6
291.16016	2.0
301.14301	2.8
307.15527	4.2
319.15259	1.9
325.16367	3.9
337.16528	5.6
337.21506	1.2
343.22672	1.5
355.17487	7.6
355.22369	3.1
363.18130	2.2
373.23901	3.0
376.21729	1.3
377.22104	1.9
381.19223	3.8
393.19086	2.2
393.32037	2.5
399.20245	1.9
410.32654	4.9
411.20139	5.4
411.24939	2.3
411.32825	15.8
421.26105	3.8
428.33707	3.4
429.26337	10.5
429.34067	12.4
447.27374	26.5
463.26276	1.7
465.28491	20.8
481.27557	1.5
531.29199	1.8
539.27673	4.1
573.30597	3.0
591.31506	15.8
609.32617	100.0
610.33618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05514	0.4
56.20190	0.3
58.91690	0.4
67.05498	1.2
70.32280	1.2
70.32700	0.7
79.05480	1.1
81.07029	0.7
90.02790	0.3
91.05451	0.7
93.07023	1.6
95.08578	0.6
105.07024	0.9
107.08583	1.0
109.10128	0.5
117.06970	0.6
119.08569	0.7
121.10171	0.7
133.10091	0.8
135.11665	0.5
145.10152	0.5
147.11560	0.5
150.54535	0.4
159.11694	0.6
163.11217	0.5
237.14026	0.4
251.15512	0.6
257.19080	0.4
275.20242	0.5
338.10635	0.4
344.01105	0.4
374.16589	0.4
376.16919	0.5
377.17502	0.9
389.18469	0.8
390.18536	0.5
391.19122	2.2
392.19894	1.1
393.20529	0.6
400.17038	0.9
401.17679	1.2
403.19507	0.6
404.20242	1.3
405.21021	2.8
406.21741	1.8
406.65857	0.4
407.17996	0.4
407.22397	3.0
414.18393	0.5
415.19238	2.5
416.20218	0.8
417.16144	0.5
417.21289	0.7
419.18542	1.6
419.22586	1.2
420.23135	0.7
421.23969	4.4
422.24582	0.7
427.19144	0.8
429.20914	3.2
430.21741	1.5
431.22540	0.6
432.19266	0.9
433.20093	1.3
433.24927	0.7
434.20966	0.6
435.21823	1.0
443.22556	1.0
444.22964	1.6
446.20743	0.8
447.17337	2.3
448.18314	0.6
449.23679	0.5
452.22250	0.6
457.24448	1.9
459.21484	3.4
460.23270	0.7
461.19077	5.7
462.20447	3.4
463.20956	2.0
465.23239	0.4
470.20874	0.5
472.22830	0.7
473.19788	1.1
474.20016	0.8
475.20837	7.4
476.21606	5.3
477.22348	3.9
478.23514	1.1
485.23428	9.5
486.19751	2.7
487.20758	0.8
488.21918	0.6
489.22910	4.8
493.21783	1.0
493.26682	0.5
494.26505	1.0
497.23407	0.8
499.21228	2.2
500.21936	1.8
503.24594	4.9
504.20450	0.6
504.25531	1.0
513.22931	1.3
515.24426	7.7
516.24640	0.7
517.22314	0.7
518.23218	0.8
521.25903	3.2
522.25824	0.6
531.23834	14.1
532.24384	1.2
541.22650	0.7
549.25000	4.1
550.25574	5.0
551.25598	0.5
559.23407	5.9
560.23334	0.5
577.24286	0.9
581.27655	0.5
591.25989	26.5
592.26373	2.2
609.26996	100.0
610.27405	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2699
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05500	0.8
55.82804	0.3
57.07062	0.8
61.31098	0.3
63.73150	0.3
67.05493	2.4
68.14066	0.4
69.07049	1.4
79.05495	2.1
81.07043	2.1
91.05453	1.8
93.07041	2.2
95.04969	0.4
95.08595	1.6
97.06509	0.6
98.21445	0.9
105.07026	1.6
107.08583	1.6
109.10155	0.5
117.07023	0.7
119.08581	1.5
121.10144	2.3
123.11706	0.6
129.07045	0.4
131.08556	0.7
133.10127	0.9
135.11665	0.8
143.08560	0.6
145.10114	1.4
147.11658	0.7
157.10144	0.5
159.11691	0.9
163.11192	0.7
171.11694	0.5
185.13248	0.5
197.13168	0.4
201.16400	0.5
209.10774	0.4
223.12349	0.6
237.13818	0.4
239.15282	0.4
251.15506	0.6
275.20151	1.1
299.41345	0.3
304.34860	0.3
305.43726	0.4
374.15796	0.3
377.17612	1.0
389.18616	0.8
390.18494	0.8
391.18906	1.8
392.20001	1.5
393.21130	0.5
401.17816	0.5
402.19064	0.7
403.19510	0.9
404.20538	0.7
405.21143	2.9
406.21579	2.2
407.22217	3.0
413.17853	0.6
414.18457	0.8
415.19089	1.7
416.19644	0.4
419.18002	0.8
419.22610	1.4
420.23059	1.2
421.23984	3.7
422.24615	0.9
427.18964	0.8
428.20337	0.8
429.20782	2.1
430.21899	0.9
431.18298	0.9
431.23151	0.5
432.19281	0.7
433.15741	0.8
433.20178	1.3
433.25055	0.5
435.21790	1.0
443.22491	0.9
444.23499	0.6
445.20377	1.4
446.21301	0.9
447.17310	2.3
448.18530	0.6
449.23816	0.8
452.22061	0.7
457.23846	1.5
458.24957	0.5
459.21954	1.8
460.23404	1.9
461.19046	5.2
462.20215	2.4
463.21069	1.7
470.21414	0.4
472.22705	1.2
473.19211	0.6
474.20224	0.7
475.20996	7.8
476.21790	6.2
477.22421	4.6
478.23322	0.8
479.24481	0.5
481.98975	0.5
484.19431	0.4
485.23523	5.9
486.19897	2.2
487.21121	0.7
487.24915	0.7
488.22357	0.8
489.22910	5.4
490.22961	0.5
493.22192	0.7
494.26990	0.5
499.21198	3.3
500.22055	1.5
501.22714	0.5
503.24542	7.3
504.25018	1.4
505.22537	1.2
507.23557	0.7
513.22876	1.1
515.24475	4.8
517.22369	1.7
518.23303	0.6
521.26074	1.9
522.25421	0.5
531.23785	9.9
532.24432	0.8
535.23492	0.9
541.22906	0.6
549.25012	2.2
550.25677	4.3
551.25549	0.4
559.23511	5.1
560.23883	0.5
563.26483	1.2
577.24365	1.2
591.25928	12.6
591.35590	0.6
592.25824	0.9
609.27026	100.0
609.44629	4.0
610.27393	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.88611	0.2
67.05436	0.4
69.71147	0.4
69.71545	1.8
79.05437	0.3
81.06979	0.6
88.11092	0.2
88.89202	0.2
91.05409	0.4
93.06968	0.4
95.08541	0.4
105.06938	0.4
107.08517	0.2
111.06688	0.2
119.08485	0.4
121.10005	0.3
132.08684	0.2
145.10065	0.3
156.28680	0.2
158.73293	0.2
162.67838	0.2
163.11038	0.3
168.26558	0.2
172.03751	0.3
172.71132	0.2
189.34785	0.3
194.06010	0.3
197.10686	0.4
239.11656	0.3
288.14792	0.2
313.98944	0.2
338.34070	0.2
362.14835	0.3
363.16046	0.3
375.16357	0.4
376.16708	0.7
377.17465	1.9
378.18259	1.0
379.19031	0.5
387.55856	0.3
388.16757	0.3
389.17432	0.6
390.18665	1.3
391.15356	0.3
391.19229	3.2
392.19992	1.7
393.20755	1.7
393.93332	0.2
403.19473	0.6
404.16321	0.9
405.16354	3.8
405.20844	1.4
406.16855	1.3
406.21814	0.6
407.22433	5.7
408.22934	0.4
416.16400	0.3
417.16785	0.3
418.17731	1.0
419.18213	4.9
420.19223	2.7
421.20139	3.1
431.18884	0.4
432.19473	0.7
433.15894	1.8
433.20990	5.2
433.28885	0.3
434.21118	4.7
435.21814	11.6
436.22794	1.3
446.20950	0.3
447.18097	3.5
447.22620	1.2
448.17841	1.5
449.19504	2.4
450.20087	0.4
460.19058	0.4
461.18768	2.4
462.20358	7.6
463.21188	6.7
464.21747	0.7
465.23102	0.3
466.23596	0.3
475.21332	3.6
476.21994	1.0
479.20090	1.1
487.78326	0.3
489.22928	2.1
490.23468	0.4
491.20816	0.3
493.26566	0.4
494.22501	0.4
506.23340	0.4
507.19205	1.3
508.25247	0.4
517.22290	0.5
518.86639	0.2
520.21082	0.4
521.25714	9.3
522.25610	0.8
534.22852	0.6
549.24915	31.9
550.25348	2.5
577.24371	0.8
581.27789	1.4
609.26984	100.0
610.27307	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	609.1443
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03944	1.5
54.26910	0.2
55.01866	0.3
57.03418	0.7
61.02923	0.8
61.88590	0.1
63.11718	0.2
65.03951	0.2
67.90960	0.2
68.99781	0.4
69.03423	4.8
71.04991	1.3
71.40151	0.3
73.02919	1.2
78.29037	0.1
81.03410	6.6
83.01330	0.1
83.04964	0.4
83.93097	0.2
85.02895	13.7
87.04448	0.3
91.03937	0.3
93.03391	0.2
95.04974	0.2
97.02878	8.8
99.04441	9.6
103.03929	10.3
109.02865	6.4
109.03622	0.3
111.00751	0.9
115.03926	0.5
121.02876	0.7
123.04408	0.4
127.03901	20.8
128.04268	0.4
133.51497	0.1
137.02328	2.7
145.04939	7.8
149.02318	0.5
153.01811	3.1
161.05925	0.3
163.03922	0.4
163.06007	1.3
164.73537	0.2
165.01808	1.8
169.04977	0.3
173.05946	0.3
177.01808	0.2
183.02892	0.5
187.04160	0.2
187.05994	2.1
195.02832	0.2
199.06036	0.3
201.05479	1.4
203.79118	0.2
205.07033	0.4
219.06601	0.2
229.04939	3.1
247.06049	0.4
257.04395	2.4
271.08170	1.1
274.04770	0.7
275.05411	0.3
285.03900	1.1
287.05487	0.2
289.09192	0.2
303.04953	100.0
304.02106	0.3
304.05313	3.9
308.54999	0.2
315.04990	0.5
327.04849	0.5
345.06094	2.1
355.07733	0.2
369.06033	0.4
411.07022	0.4
423.26334	0.2
447.08923	0.2
634.25311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
54.40014	0.9
55.01856	5.8
55.05238	1.7
55.05503	22.4
57.03430	9.1
57.07053	3.7
59.04991	1.6
65.03932	4.1
67.05495	66.0
69.03419	17.2
69.07059	20.4
71.04977	7.3
71.80283	1.7
73.02928	0.9
79.05024	2.2
79.05482	38.8
81.03408	58.8
81.07044	82.2
82.07374	1.3
83.04967	16.1
83.08605	15.3
83.26160	1.0
85.02889	8.2
85.06528	4.9
89.05972	1.1
91.05465	38.6
93.07030	55.5
94.07336	1.2
94.07912	1.3
95.04958	14.6
95.08595	28.8
97.02889	9.5
97.06515	12.2
97.10147	2.5
99.04419	5.1
99.08091	2.7
103.05452	1.2
105.07015	23.1
107.04961	7.4
107.08577	31.2
109.02869	11.4
109.06528	5.5
109.10142	10.2
111.04453	6.8
111.08111	6.4
113.05974	1.2
115.05413	1.7
117.07018	13.2
119.04897	1.1
119.08569	14.6
121.06487	6.5
121.10113	16.0
123.04422	2.4
123.08060	3.7
123.11712	5.1
125.06029	2.1
125.09609	2.9
127.03884	8.1
127.07512	1.5
127.11196	2.2
129.05463	1.7
129.07005	4.5
131.04909	1.2
131.08553	16.0
133.06506	4.0
133.10123	15.7
135.08057	3.5
135.11674	10.9
137.05951	1.2
137.09590	1.7
139.03864	1.2
139.11203	1.2
141.07016	2.9
143.08565	5.0
145.06487	3.2
145.10078	6.6
147.04407	1.4
147.08044	3.8
147.11681	15.3
149.05995	1.1
149.09644	3.9
149.13246	16.1
151.11227	1.8
155.08516	2.7
157.10114	6.1
159.08009	1.6
159.11696	13.0
161.05977	1.5
161.09636	2.6
161.13275	1.5
163.11182	3.5
165.12750	4.7
169.10132	1.6
171.08066	1.2
171.11641	3.3
173.04457	2.0
173.09659	1.6
173.11819	2.2
173.13303	2.6
175.11186	2.8
177.12737	7.3
183.06519	2.4
184.07146	1.1
185.13344	1.4
191.10765	1.1
193.12277	3.8
195.13780	15.3
197.13312	1.3
201.12938	1.8
201.14833	3.9
209.96997	1.1
211.13254	2.4
213.12885	1.7
213.14848	2.4
219.13766	1.4
227.12744	2.1
229.14333	3.3
233.15433	1.8
247.16994	1.4
253.18065	2.0
261.14722	1.1
267.15933	5.2
269.17511	11.6
273.18463	1.4
275.16455	2.3
279.15750	1.3
283.15280	1.6
285.17001	4.2
289.17834	1.4
291.19553	1.4
297.17044	2.1
303.15942	2.6
321.17078	4.1
335.18359	1.2
339.18027	10.2
353.24692	1.2
377.19690	1.6
395.20688	13.5
411.27307	3.6
445.29535	6.4
463.30539	13.0
479.29938	1.2
571.32385	3.3
589.33490	6.6
607.34680	100.0
608.34998	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	607.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57214	2.0
53.70870	2.2
54.26807	2.2
55.01867	3.7
55.05502	11.3
57.03413	4.6
58.40998	1.9
61.02902	3.1
65.03923	3.1
67.05505	18.0
69.03421	13.4
69.07056	5.6
71.04995	16.7
71.80064	3.2
73.02896	2.3
79.05473	12.1
81.03414	13.2
81.07051	12.9
83.04961	6.2
83.08575	2.6
85.02903	17.5
85.06535	3.4
91.03945	2.2
91.05455	14.3
93.07029	14.7
95.04964	10.0
95.08585	18.4
96.78453	2.2
97.02869	11.1
97.06506	2.3
97.10100	2.3
99.04439	3.1
105.07024	19.4
107.04932	5.1
107.08573	17.1
109.02852	6.1
109.06516	5.5
109.10139	5.8
109.86222	2.1
109.87090	2.0
111.04446	4.6
113.05993	5.6
117.06992	6.8
119.08589	11.8
121.06502	5.1
121.10122	10.6
123.04409	4.4
123.08035	5.8
123.11684	4.5
125.09576	3.3
127.03844	4.7
128.06226	2.6
129.07021	4.7
131.08548	9.4
133.06493	10.0
133.10091	17.9
135.08043	3.8
135.11685	4.1
137.05931	2.6
137.09653	2.6
139.03899	3.0
142.07782	2.6
143.08533	6.0
145.04936	2.7
145.10104	19.7
147.08041	4.7
147.11662	7.0
149.02316	17.7
149.09599	8.7
150.02666	7.1
151.11185	4.0
156.09245	2.6
157.10135	11.5
159.08034	2.9
159.11699	8.5
161.05846	2.2
161.09602	4.3
163.07503	4.5
163.11150	6.1
165.09047	2.2
169.10106	4.2
171.08037	4.7
171.11714	5.8
173.04477	3.9
173.09598	39.7
173.10942	3.3
173.13159	2.2
175.07590	2.6
175.11166	20.2
177.05412	3.5
177.09026	5.5
183.11667	3.1
184.07318	2.1
185.09499	2.4
187.11201	3.3
191.10696	3.3
193.08524	2.4
195.06523	3.5
195.11612	3.4
196.84508	2.2
197.13213	5.7
199.11107	3.8
199.14726	2.5
201.09102	2.7
205.08551	16.8
206.08897	2.8
206.10880	2.7
207.11708	2.5
207.13745	2.0
209.13251	8.4
211.11342	2.6
211.14873	4.1
219.10129	6.9
221.08044	3.8
221.13229	11.7
223.09578	11.6
223.14766	3.3
228.76118	2.1
233.13206	6.8
237.12794	3.8
243.13794	5.2
249.12691	4.1
251.14203	4.6
251.17934	7.0
253.12186	4.2
255.13745	3.5
257.04376	3.9
260.15594	3.4
261.12704	5.8
261.16449	4.8
263.17917	2.5
265.12149	4.6
269.15335	3.4
271.13092	4.3
273.12503	2.5
275.17926	3.2
279.14172	2.3
279.17419	11.0
285.16425	6.6
287.17679	2.3
288.15128	3.2
289.14307	31.4
291.17358	18.1
293.11670	4.2
293.18918	6.0
303.14001	3.8
303.17383	13.4
305.15103	3.9
307.16745	9.3
321.18515	17.3
323.16388	4.9
325.18002	20.7
331.16928	2.3
335.16428	18.8
339.19540	8.4
341.17435	3.2
343.19135	22.5
345.22025	8.6
357.20615	4.4
361.20093	8.4
363.23236	16.6
373.21533	27.3
391.22662	55.4
409.23703	100.0
410.23657	2.4
427.24731	41.8
444.33371	2.5
445.25845	30.1
454.89157	2.1
463.26700	3.2
547.31506	4.2
589.29694	2.4
607.21790	3.7
607.30981	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	607.2903
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
66.58826	0.2
69.63415	0.2
71.31033	0.5
74.97977	0.2
75.78162	0.2
97.65916	0.2
130.46736	0.2
153.23289	0.2
225.63994	0.2
273.79602	0.2
322.12817	0.2
373.14313	0.2
387.16010	0.4
388.17001	0.4
389.17679	0.9
390.18423	0.2
400.17108	0.3
401.17566	0.4
402.18280	0.6
403.19150	2.2
404.19833	0.7
405.20807	1.2
405.99646	0.2
414.19229	0.2
415.19510	0.4
416.15344	0.3
416.19922	0.6
417.16162	0.6
417.21417	2.7
418.21664	1.4
419.22275	3.4
429.16324	0.2
429.21237	0.4
430.17752	0.7
431.18106	6.1
432.19305	1.0
432.23843	0.5
433.24039	5.1
434.24576	0.8
444.18979	0.5
445.19748	7.3
446.20810	3.2
447.21713	3.5
447.27405	0.2
449.23987	0.2
459.21393	3.4
460.22464	8.4
461.23264	9.0
462.20383	0.3
464.25067	0.2
473.23651	2.4
474.24170	0.7
477.22952	0.8
487.24905	1.4
488.26022	0.2
489.21994	0.3
491.24435	0.6
492.25140	0.6
505.21484	2.0
506.26508	0.4
515.24274	0.5
519.24115	1.2
519.27057	1.1
532.24506	0.7
547.26971	24.7
548.27197	1.0
575.26508	0.7
579.29248	0.5
607.29065	100.0
608.29199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53423	0.2
52.08816	0.2
70.09083	1.4
73.62469	0.2
78.31342	0.2
87.13173	0.2
98.21355	0.4
166.86690	0.2
177.05522	0.2
205.94453	0.3
226.99791	0.3
233.55914	0.2
251.15695	0.3
302.82123	0.2
315.01816	0.2
387.16125	0.3
388.16763	0.6
389.17484	0.9
401.17914	0.6
402.18304	1.0
403.19180	3.2
404.19968	0.6
405.20639	1.2
415.19208	0.6
416.19940	0.9
417.16064	0.7
417.21252	3.3
418.21762	1.8
419.22406	2.5
430.17368	0.8
430.21912	0.7
431.18011	6.0
432.19199	1.0
432.23773	0.5
433.23920	7.9
434.24643	0.8
444.18390	0.4
444.23706	0.6
445.19797	8.2
446.20639	3.7
447.21683	3.6
458.20773	0.3
459.21371	3.2
460.22415	8.6
461.23282	8.6
463.21756	0.3
472.22961	0.4
473.23563	2.2
474.24280	1.1
477.22504	0.5
487.25171	1.2
488.25729	0.3
491.24307	0.5
504.25293	0.3
505.21649	1.8
506.26367	0.4
515.24628	0.3
519.27228	0.9
532.24573	0.4
547.26984	34.6
548.27362	0.7
575.26215	0.7
579.29272	0.7
607.29065	100.0
608.29565	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2543
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
57.85427	0.3
67.05443	0.8
68.15179	0.4
69.07011	0.3
69.49116	4.2
77.07842	0.3
79.05417	0.8
81.07006	0.9
91.05415	0.7
100.96123	0.4
105.06957	1.0
107.04867	0.3
107.08549	0.3
117.06985	0.4
119.08492	0.5
129.06836	0.4
131.08458	0.5
133.10051	0.4
207.17293	0.4
223.12209	0.4
242.22247	0.3
275.20068	0.7
276.20306	0.5
356.21143	0.4
373.14462	0.5
374.15701	0.3
375.16025	0.9
376.17590	0.5
387.16174	0.9
388.16882	1.0
389.17584	3.3
390.18301	1.4
391.19064	1.3
401.17914	0.6
402.13889	0.5
402.18396	1.1
403.19354	5.5
404.20233	2.1
405.21021	2.6
415.19421	0.8
416.16214	1.3
417.16000	3.7
417.20953	2.4
418.17233	1.1
418.21609	1.0
419.17413	0.6
419.22333	7.4
420.22894	0.7
430.17471	0.8
431.18265	8.2
431.23947	0.6
432.19177	3.0
433.19839	2.7
444.19016	0.4
445.20233	6.1
446.20905	5.8
447.21710	9.7
448.22717	0.7
459.17966	2.2
459.22653	1.1
460.18979	1.3
461.19449	1.2
462.24039	0.5
463.24738	1.4
473.19565	1.5
474.20367	9.3
475.21121	10.2
476.21750	0.8
477.22998	1.0
478.23462	0.7
487.21255	2.8
488.22174	0.9
490.23480	1.3
491.20258	0.6
491.25443	0.7
501.22797	1.8
503.24249	0.7
504.21329	0.7
505.22388	0.6
506.23019	0.5
513.61328	0.4
517.22540	0.4
519.23956	13.0
529.22485	0.7
532.20691	0.5
547.23346	59.8
548.23901	1.8
561.24561	1.0
579.25879	3.7
588.46008	0.6
589.24432	1.2
607.25439	100.0
608.25952	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	607.2542
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.72795	0.2
63.37055	0.3
68.15296	0.3
69.59254	2.4
103.53302	0.3
109.08807	0.3
110.09602	0.3
111.58155	0.3
128.78696	0.3
136.25311	0.3
168.85876	0.3
222.92393	0.3
310.13437	0.3
373.14722	0.3
375.15955	0.3
376.17068	0.3
388.16809	0.8
389.17758	2.0
390.18332	1.0
391.19177	0.9
401.17749	0.6
402.14215	0.5
402.18521	0.9
403.15329	0.3
403.19312	3.5
404.20010	1.5
405.20758	2.7
415.19604	0.5
416.16177	0.8
417.16290	3.9
417.21146	1.3
418.17322	0.9
418.21710	1.0
419.22528	5.1
420.23196	1.0
430.17770	1.0
431.18274	7.5
432.19189	3.9
433.20065	4.6
434.20700	0.4
435.22144	0.3
443.18378	0.6
444.18845	0.3
445.20102	5.9
446.20865	7.4
447.21686	9.0
448.22287	1.1
459.17117	0.7
459.21930	1.5
460.18948	1.1
461.19348	2.0
462.24261	0.4
463.20096	0.4
463.25540	0.6
473.18628	0.5
473.23608	1.0
474.20334	5.7
475.21094	5.4
476.22064	0.5
477.22626	0.6
478.23532	0.9
487.21353	1.9
491.19913	2.9
501.22931	1.1
503.24307	0.4
504.21567	0.4
505.22314	0.6
506.23032	0.5
519.24030	19.8
520.24390	1.2
529.22192	0.4
533.25446	0.4
547.23340	15.7
548.23425	1.4
551.26526	0.6
561.24786	0.6
579.26001	5.9
589.24176	0.5
607.25439	100.0
608.25775	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	605.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.6
53.03947	9.6
53.04147	1.7
55.01869	13.9
55.05507	36.2
55.71471	1.8
57.03424	15.7
57.07070	2.5
60.22128	1.7
65.03930	4.1
67.05495	85.8
69.03415	16.8
69.07061	26.6
70.92224	3.6
70.92594	3.7
71.01357	2.6
71.04974	7.0
79.05483	71.4
79.05940	4.1
81.03406	73.5
81.07046	100.0
82.38394	1.7
83.04967	18.2
83.08603	22.2
85.02895	20.8
85.06519	3.8
91.05467	66.2
93.07033	66.1
95.01347	2.0
95.04955	53.4
95.05524	3.4
95.08594	37.9
97.02890	17.9
97.06516	14.1
97.10165	14.6
99.04428	5.1
99.08076	3.5
103.05462	7.1
105.07020	48.1
107.04945	23.5
107.08573	35.6
109.02863	25.2
109.06493	12.6
109.10146	9.9
111.04440	11.2
111.08072	6.4
113.06014	2.5
115.05441	5.8
117.07001	24.9
118.86803	1.8
119.04949	8.9
119.08570	29.6
121.02856	4.5
121.06505	16.5
121.10110	22.0
123.04411	14.2
123.08064	6.2
123.11684	7.8
125.02372	4.3
125.05994	2.2
125.09602	11.6
127.03886	7.6
128.06258	6.2
129.06987	19.0
131.03363	2.6
131.04898	12.2
131.08551	23.5
133.06477	12.4
133.10112	21.4
135.04401	4.6
135.08043	8.6
135.11682	13.6
137.05962	5.5
137.09590	2.2
139.03935	1.9
141.07001	7.6
142.07730	3.9
143.08522	9.3
145.06441	16.0
145.10117	12.2
147.04384	12.0
147.08043	11.6
147.11655	21.4
149.06006	5.9
149.09613	8.8
149.13284	13.9
151.03903	2.2
153.06993	4.2
153.09146	4.4
155.06006	2.3
155.08533	6.8
157.06487	7.3
157.10097	14.2
159.08038	7.1
159.11642	14.0
160.05199	2.5
161.05956	12.2
161.09618	9.5
161.13266	2.8
163.03999	2.1
163.07571	4.0
163.11214	9.3
165.07048	2.5
165.12775	5.5
167.08638	4.9
169.06514	3.4
169.10141	6.4
171.04361	4.1
171.08086	5.9
171.11630	9.8
173.04570	4.4
173.05988	8.4
173.09628	7.6
173.13307	2.3
174.06810	3.1
175.03906	3.2
175.07608	4.7
175.11186	7.5
177.05534	3.1
177.12746	6.6
179.03371	4.1
179.08545	2.6
181.10088	4.6
183.08049	6.0
183.11670	2.6
185.06007	2.5
185.09535	5.0
185.13290	3.3
187.07590	6.2
187.11218	5.6
187.14919	2.6
189.05476	9.0
189.09229	1.9
189.11168	6.1
189.12784	4.8
191.10699	2.7
193.10533	2.5
193.12190	10.4
195.08076	3.2
195.13759	11.5
199.07443	3.1
199.11098	2.5
201.12761	3.4
203.14290	2.6
205.12340	3.6
207.13823	3.8
209.13197	2.3
211.11331	4.1
211.13300	7.3
213.12875	3.4
213.14842	3.4
219.13777	3.4
223.11282	2.2
225.12778	3.2
227.12509	2.6
227.14473	3.2
235.09645	4.7
235.13271	5.2
243.13776	3.5
245.15446	3.5
249.14926	6.1
251.16444	2.2
255.13832	7.0
257.15366	4.9
259.13443	4.3
261.14859	3.2
263.16534	2.7
267.16031	10.3
269.17471	30.9
271.13239	4.8
273.14850	31.5
275.16553	2.9
277.14359	2.2
283.13223	8.7
283.16245	2.2
285.14670	4.1
285.17441	2.5
289.14380	2.9
291.16003	3.0
299.16354	1.8
301.14362	35.8
303.15845	9.3
319.15311	19.5
325.18155	3.6
337.16641	5.3
339.18118	1.9
357.16745	2.8
357.20712	5.2
375.18045	11.7
377.19690	3.7
393.19254	8.6
395.20639	2.8
431.26620	2.6
443.27896	9.5
449.27518	2.4
461.29074	7.0
465.25769	2.0
467.27676	2.4
473.29147	2.4
477.26196	3.3
479.29691	4.2
485.28943	3.9
495.27444	6.1
509.28622	2.5
513.28442	5.5
515.30023	2.4
527.29871	7.2
539.29608	2.7
541.31519	4.1
545.31000	5.3
551.29993	7.8
557.30804	12.7
559.32092	2.4
569.31030	35.8
587.32062	47.3
605.33154	87.6
606.33191	3.1
626.23260	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
53.49410	0.2
55.01864	0.6
55.05490	1.1
57.07062	0.7
59.04980	0.3
65.03915	0.8
67.01844	0.6
67.05474	1.5
68.99783	3.1
69.03409	1.3
69.07053	0.6
70.06551	0.5
71.04962	0.5
71.82249	0.4
78.04707	0.4
79.05481	1.5
81.03413	1.5
81.07061	1.3
83.01360	0.3
83.04947	0.5
83.08601	0.7
84.08118	0.3
85.02884	1.0
86.06044	0.4
86.09651	0.3
89.03919	0.4
91.05463	2.0
93.07026	1.8
95.04950	1.7
95.08574	1.1
97.02845	0.8
97.06508	0.3
97.10162	0.5
99.04406	0.3
100.11231	0.6
103.05412	0.3
105.03377	0.6
105.06998	1.4
106.04139	0.7
107.04947	0.7
107.08574	1.0
109.02837	0.4
109.06473	0.4
109.10143	0.7
111.00763	0.7
111.04414	0.8
115.05437	0.9
116.10677	0.3
117.06990	0.6
119.08540	0.9
121.02841	2.0
121.10117	0.7
121.64748	0.3
123.04428	1.5
123.11636	0.4
125.09586	0.3
127.03881	0.9
129.06953	0.4
131.04900	0.5
131.08569	0.6
133.02863	0.4
133.06453	0.7
133.10135	0.5
134.03616	2.1
135.04366	0.7
135.11655	0.4
137.02316	7.3
137.03336	0.4
139.03923	0.4
143.04860	0.5
145.06468	0.6
145.10091	0.5
147.04416	1.0
147.07944	0.3
147.11688	0.4
149.02324	3.1
149.05910	0.4
150.03073	0.3
153.01802	53.9
154.02138	0.4
155.04889	0.5
157.06467	0.4
157.10121	0.3
159.04379	0.6
161.02304	12.2
161.05939	1.2
161.09628	0.3
163.03876	9.8
163.11142	0.3
165.01804	0.8
167.03381	0.3
169.06444	0.3
171.02849	0.8
171.04373	1.6
173.05945	1.2
173.09541	0.4
175.03857	0.7
177.05394	1.2
179.03397	1.0
183.04439	0.5
185.05914	0.6
185.09489	0.3
189.05440	1.8
193.01384	0.5
193.12178	0.4
195.02881	1.6
197.05934	0.8
199.03938	1.2
200.04733	0.4
201.05415	0.9
203.03279	1.7
211.13200	0.3
213.05469	1.7
217.04919	1.8
219.06427	1.0
227.03380	5.5
228.04160	0.6
229.04912	2.8
230.05655	0.8
231.02750	0.4
231.06493	1.9
235.09508	0.4
239.03333	1.2
240.04173	0.4
241.04939	2.9
242.05641	0.4
245.04445	5.3
253.04974	0.7
255.02866	4.7
256.03629	1.2
257.04419	2.2
258.05157	0.7
259.05930	3.3
267.02896	0.6
269.04419	3.7
271.06000	0.7
273.03891	100.0
274.04346	1.1
285.03903	5.6
287.05405	4.3
293.08078	0.3
297.03894	7.6
301.03391	7.1
301.14368	1.0
302.04138	5.1
303.04941	14.0
304.05518	0.4
305.06418	1.1
315.04935	82.9
316.05270	1.2
326.23380	0.4
341.17358	1.1
344.24200	0.3
357.20630	0.6
361.07132	0.4
377.06396	0.3
389.06253	0.4
393.06000	0.7
397.12921	0.4
405.05856	0.9
407.07822	0.4
417.06030	0.9
423.06970	1.5
435.06973	1.0
451.06439	0.4
453.07974	0.4
541.07666	1.5
559.08130	1.0
568.29382	0.4
569.06696	0.9
586.30597	1.1
587.08032	6.0
587.31665	0.9
604.31342	1.0
605.32062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3159
Annotation	Withalongolide K
Peak:m/z	Relative Intensity
51.02394	1.5
53.03930	4.8
55.01864	10.1
55.05503	30.5
57.03432	12.2
57.07071	1.9
59.04982	1.7
61.02901	1.5
67.05496	38.0
68.99780	1.6
69.03426	8.8
69.07057	13.9
71.01364	1.8
71.04981	7.4
73.02908	1.4
79.05019	1.9
79.05484	46.1
81.03407	49.0
81.03875	2.6
81.07045	36.9
83.04977	15.7
83.08612	21.9
85.02895	23.8
85.06544	2.7
86.06046	1.3
86.09710	2.0
91.05468	47.4
93.03423	2.3
93.07033	31.0
95.01327	2.0
95.04959	49.9
95.08588	17.6
95.73576	1.2
97.02892	7.8
97.06542	5.6
97.10168	16.7
97.10739	2.2
98.20669	2.8
99.04459	2.5
99.08087	1.4
103.05460	6.6
105.03376	1.8
105.07014	30.6
105.86987	1.6
107.04935	16.2
107.08577	17.6
109.02867	13.8
109.06503	8.7
109.10143	7.4
111.04449	9.5
111.08076	8.2
113.06001	2.8
115.05428	11.6
116.10676	1.7
117.06997	16.6
119.04931	5.8
119.08565	19.2
121.02877	7.8
121.06504	13.6
121.10135	15.9
123.04423	9.3
123.08044	6.2
123.11697	3.4
125.06001	3.0
125.09621	11.0
127.03885	2.2
128.06210	4.3
129.06989	20.4
131.04922	12.5
131.08554	19.7
133.06471	14.4
133.10117	12.8
134.06886	1.2
135.04424	4.7
135.08012	7.6
135.11639	6.7
137.02315	6.4
137.05971	2.7
137.09529	2.1
139.03893	1.6
141.06970	6.7
142.07750	2.6
143.08571	10.5
143.10651	1.3
144.05676	1.9
145.02759	1.3
145.06458	18.2
145.10091	12.6
147.04376	13.1
147.05449	1.5
147.08005	8.3
147.11659	10.8
149.05962	6.8
149.09596	8.4
151.03955	3.5
151.07591	1.6
153.07016	4.1
153.09131	2.4
153.12746	3.2
154.07777	3.2
155.03445	1.4
155.08568	5.6
157.06448	9.1
157.10126	11.4
158.07307	1.6
159.04367	2.4
159.08055	9.9
159.11693	2.8
160.05179	3.5
161.05974	19.4
161.09596	7.0
163.03880	2.0
163.07542	2.4
163.11176	12.0
165.05487	2.6
165.06978	3.0
165.12819	3.6
167.07211	1.6
167.08615	4.9
169.06523	4.2
169.10112	4.5
171.04401	3.5
171.08011	10.9
171.11679	3.1
173.05968	26.7
173.09615	6.0
173.13322	1.3
174.06741	7.3
175.03922	3.0
175.07523	6.9
175.11162	9.8
177.05489	2.7
179.08565	2.8
181.06516	2.8
181.10114	3.4
181.12323	2.7
183.08105	6.1
183.11684	2.1
185.05966	5.2
185.09639	4.7
185.13206	2.0
186.06766	3.7
186.68585	1.4
187.07536	12.9
187.11136	2.0
189.05424	22.3
189.09172	2.8
189.11224	5.8
189.12740	1.9
190.06224	1.5
191.07082	2.0
191.10655	3.6
193.10437	2.8
193.12221	20.0
195.08023	4.0
195.11742	2.1
197.09625	3.2
197.13283	1.6
199.07530	6.8
199.11266	3.1
199.14864	1.5
200.08348	2.3
201.05536	2.5
201.09105	2.9
201.12750	1.5
203.06981	2.4
203.10684	3.8
203.60660	1.5
205.08492	1.5
205.12195	2.7
209.09749	2.4
209.11507	1.8
209.13351	2.7
211.07573	4.2
211.11272	3.1
211.13231	25.4
212.08286	1.3
213.09190	2.8
213.12817	2.3
214.09845	1.5
215.07118	3.1
219.13730	1.9
223.11200	2.3
223.13263	1.6
225.12730	2.6
227.10785	1.9
227.12489	6.1
227.14641	2.1
229.94225	1.8
231.02957	1.6
231.13846	1.5
235.13322	2.5
237.12704	4.6
239.10796	1.5
241.08524	1.4
241.12245	2.0
243.13841	3.0
247.13257	2.2
255.13768	8.1
257.15204	7.4
259.13226	3.1
265.12131	2.5
267.15857	6.9
271.13364	3.2
271.17044	1.6
273.14847	22.7
273.17639	1.9
283.13141	10.0
283.15833	1.2
285.03925	1.5
285.14789	9.6
285.17529	12.3
289.14359	5.9
295.16766	2.4
297.14948	3.8
299.16711	2.7
301.14288	74.4
302.14709	2.0
303.15845	6.3
313.14301	2.1
313.18024	2.5
315.16046	4.5
319.15411	10.5
323.16476	5.7
325.14285	1.5
331.15567	1.6
339.15915	2.1
339.19547	2.0
341.17441	9.3
343.15359	9.8
355.19174	2.4
357.16946	4.0
357.20813	1.7
359.18613	3.2
361.16458	2.4
362.63263	1.4
367.08401	2.3
367.22803	1.6
375.17883	17.0
376.18051	1.6
393.19052	6.3
417.18808	1.8
423.25363	3.0
429.24222	1.9
441.26389	5.2
447.25491	4.4
457.24460	1.3
459.27438	1.6
461.27390	1.6
465.26437	2.8
469.26019	1.5
475.24673	3.5
477.28387	1.6
483.27390	1.6
493.25751	8.7
511.26556	11.3
513.05084	1.5
525.28430	2.2
529.27606	2.6
539.29956	5.3
543.29565	12.9
549.28076	4.3
555.29614	6.9
557.31696	2.0
567.29541	23.3
568.30023	2.2
573.30341	15.4
585.10962	3.2
585.30505	88.9
586.30621	6.4
603.11414	8.6
603.31586	100.0
604.32050	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	603.3155
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03932	6.2
55.01866	12.5
55.05501	25.7
57.03431	11.9
57.07074	1.8
59.04992	1.7
63.43654	1.1
67.05493	35.5
67.05849	2.3
68.99774	1.4
69.03409	7.0
69.07064	9.9
71.01327	2.1
71.04984	7.3
78.54800	1.1
79.05116	0.7
79.05479	45.2
81.03405	63.9
81.07043	40.7
83.04961	17.2
83.08608	23.8
85.02893	28.6
85.06538	2.4
88.56474	1.0
90.23338	1.0
91.05466	47.1
93.07029	30.3
95.01333	1.8
95.04954	55.6
95.08587	17.0
97.02893	7.7
97.06506	6.6
97.10153	12.7
99.04455	2.3
99.08117	1.8
102.66774	1.1
103.05450	5.2
105.03422	1.8
105.07011	30.8
107.04942	19.1
107.08580	19.8
109.02859	17.9
109.06495	8.8
109.10168	6.0
111.04422	13.2
111.08068	9.9
113.06004	2.8
115.05444	8.6
116.10722	1.8
117.07008	17.7
119.04928	5.5
119.08557	23.8
121.02869	6.1
121.06493	14.3
121.10123	14.1
123.04395	7.4
123.08054	3.9
123.11698	2.8
125.02366	1.7
125.09599	10.1
127.03939	1.9
128.06238	4.3
129.05540	1.7
129.06985	22.6
131.04909	14.5
131.08549	17.4
133.06482	14.6
133.10104	10.7
135.04410	4.4
135.08022	6.8
135.11655	7.0
137.02316	6.7
137.05977	3.5
137.09598	2.3
139.03854	2.0
141.06998	4.6
142.07732	2.2
143.04941	2.4
143.08548	8.0
144.05708	2.3
145.02882	2.1
145.06439	19.7
145.10107	11.5
147.04385	12.4
147.08014	11.1
147.11684	13.1
149.05949	6.5
149.09610	9.5
151.03983	1.4
151.07593	1.3
151.11226	1.6
153.06985	2.8
153.09082	1.4
153.12721	3.4
154.07744	1.3
155.08566	6.3
157.06456	7.6
157.10101	15.2
158.07156	1.2
159.04378	2.1
159.08032	8.6
159.09300	1.4
159.11700	2.3
160.05235	5.0
161.05954	24.5
161.09607	4.8
161.13177	1.2
163.07561	2.4
163.11154	13.2
165.05406	1.2
165.06960	1.5
165.12721	3.7
167.08440	2.4
169.06479	3.0
169.10135	4.2
171.04437	2.8
171.08005	8.6
171.11688	2.8
173.05951	24.5
173.09608	5.8
173.13272	1.5
174.06734	6.6
175.03896	3.9
175.07625	6.4
175.11148	11.8
177.05511	2.3
177.12823	1.4
178.07755	1.7
179.08562	1.9
181.06483	1.6
181.10133	2.5
181.12236	3.0
183.08093	4.3
183.11662	2.4
185.05957	3.1
185.09625	3.7
185.13258	2.2
186.06761	2.6
187.07520	14.2
187.11206	1.5
189.05449	27.5
189.09152	2.2
189.11206	4.8
189.12761	2.0
190.17212	1.2
191.10683	3.6
193.10304	2.2
193.12193	27.4
194.10712	1.3
195.08008	2.2
195.11794	2.4
197.09648	3.2
199.07565	3.5
200.08249	2.1
201.05507	2.8
201.09056	2.4
201.12704	1.7
203.06975	2.6
203.10655	2.8
205.12187	1.4
207.08052	1.6
209.09688	1.3
209.11581	1.6
209.13326	1.3
210.10483	1.5
211.07614	3.2
211.11301	3.0
211.13257	35.4
211.15164	2.3
213.09030	1.7
213.12775	2.9
214.09956	1.4
223.11159	2.0
227.07040	1.5
227.12486	8.2
229.12328	2.2
237.12761	3.5
241.12212	2.1
243.13834	2.4
245.15373	3.3
247.13345	2.6
249.14931	1.4
255.13786	10.5
257.15396	5.6
259.13431	2.4
265.12189	2.0
267.15836	11.1
271.13388	3.0
273.14825	22.9
277.14343	1.4
283.13153	14.7
285.14780	11.4
285.17484	15.9
289.14236	7.7
291.15842	1.2
297.14771	1.5
301.14273	83.4
302.14850	3.3
303.15948	5.3
311.16595	1.9
313.17877	1.4
315.16174	1.9
319.15353	15.2
323.16550	2.8
337.16522	1.6
339.15970	1.5
341.17551	4.0
345.16803	2.0
349.17694	1.3
357.16885	7.2
359.18631	3.3
375.17950	23.2
385.23779	3.1
393.18851	7.9
405.24115	1.4
447.25351	2.4
459.27255	6.3
465.26404	2.8
475.24881	4.1
477.28558	2.8
483.27283	1.4
493.25821	7.7
511.26794	6.1
521.28802	1.6
529.28021	3.1
539.30048	3.3
543.29333	1.7
549.28027	1.8
555.29639	3.3
557.31165	2.5
567.29492	14.3
573.30444	24.6
574.31244	1.8
585.30511	88.7
586.30847	7.0
603.31555	100.0
604.31683	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	603.3157
Annotation	Withalongolide K
Peak:m/z	Relative Intensity
50.92698	1.4
50.94607	1.6
52.86514	1.5
53.03930	6.2
54.90083	1.6
55.01865	13.0
55.05502	35.3
57.03428	11.5
59.04964	1.9
63.91035	1.7
67.05494	43.5
69.03416	6.0
69.07066	12.4
71.03665	2.8
71.04015	2.6
71.04984	6.6
79.05029	1.0
79.05479	46.4
81.03405	54.3
81.07043	43.3
83.04971	14.0
83.08609	21.4
85.02896	24.4
85.06534	4.9
86.09666	2.1
91.05467	47.8
93.03378	2.1
93.07033	27.6
95.04956	50.8
95.08590	16.5
97.02876	4.4
97.06522	8.5
97.10157	23.2
103.05448	7.7
105.03363	3.1
105.07018	33.0
107.04945	20.4
107.08574	20.6
109.02835	12.8
109.06488	9.0
109.10146	6.7
111.04424	12.5
111.08070	7.0
113.05944	3.0
115.05411	11.9
116.10710	2.2
117.07001	16.4
119.04934	7.9
119.08572	21.3
121.02844	9.6
121.06499	17.1
121.10114	14.0
123.04420	6.9
123.08053	5.2
123.11696	3.0
125.06011	1.7
125.09601	15.3
127.03962	2.5
128.06206	6.4
129.06984	18.8
129.07768	2.1
131.04897	14.9
131.08531	16.8
132.05681	1.5
133.06479	17.0
133.10092	11.6
135.04410	5.0
135.08055	5.2
135.11674	6.5
137.02309	6.0
137.05972	2.3
139.03873	2.2
141.06972	6.1
142.07767	1.7
143.08569	7.7
144.05696	2.7
145.06464	25.8
145.10089	10.9
146.07227	2.1
147.04379	11.7
147.08044	10.6
147.11662	9.6
149.05975	9.9
149.09610	8.4
151.03911	3.6
153.07014	3.2
153.09117	3.1
153.12796	2.7
155.08556	6.4
157.06418	9.7
157.10088	11.2
159.04449	4.0
159.08008	10.9
159.11708	3.5
160.05191	3.3
161.05949	24.0
161.09610	6.2
162.06522	1.7
163.11118	14.7
165.06987	2.9
165.12704	3.0
166.07697	1.8
167.07191	1.7
167.08548	4.1
169.06421	5.8
169.10144	3.9
171.04422	3.6
171.08015	8.8
171.11676	3.5
173.05956	28.7
173.09619	6.3
174.06729	9.3
175.03900	4.6
175.07541	9.6
175.11211	8.5
177.05490	5.5
177.09126	1.7
179.08595	2.5
181.06561	2.0
181.10065	2.2
181.12306	3.2
183.08067	7.2
183.11716	2.7
185.06003	6.2
185.09602	5.6
185.13322	3.6
186.06778	3.6
187.07501	17.6
189.05443	23.7
189.09175	3.2
189.11209	7.7
190.06210	4.2
191.07063	2.3
191.10672	5.2
193.10426	2.3
193.12212	20.5
195.08058	4.6
195.11755	2.4
197.05925	3.5
199.07472	7.5
199.11198	2.2
200.08226	3.5
201.05438	3.3
201.09047	3.9
203.07024	3.5
203.10704	3.9
209.09663	2.5
211.07657	3.2
211.11287	3.1
211.13231	24.6
211.15134	1.7
213.09120	3.8
213.12714	2.7
214.18025	4.9
215.07133	3.6
221.09621	2.1
225.09187	1.9
225.12744	2.6
227.12622	11.4
229.12302	2.6
237.12709	2.0
239.14343	2.5
241.12334	2.8
243.13766	3.7
245.15404	3.7
255.13776	10.0
257.15353	4.7
259.13275	2.9
265.12375	2.3
267.15891	7.3
269.15311	1.9
271.13205	4.4
273.14841	20.8
283.13324	14.0
285.14789	11.0
285.17545	13.3
289.14371	6.7
291.15988	1.8
295.17044	1.6
297.14755	3.7
299.16476	3.5
301.14297	78.3
302.14755	4.9
303.15869	7.0
313.14450	2.7
313.17987	4.5
315.15948	7.1
319.15457	11.8
323.16336	7.0
325.14261	4.4
327.08469	2.2
331.15445	2.3
339.15961	2.2
341.17569	14.5
343.15262	16.8
355.47913	1.5
357.17004	4.7
359.18396	5.0
361.16440	4.0
375.17990	20.9
393.19073	6.0
417.19104	4.0
423.07407	1.8
423.25397	2.8
429.24780	2.1
441.15106	2.9
441.26837	2.2
447.25458	3.0
451.24435	2.3
452.08112	1.9
452.15143	1.7
459.27362	1.9
465.26257	3.4
475.24701	3.8
477.28790	2.8
483.27426	3.2
493.25699	11.6
511.26785	15.9
521.28491	2.0
525.28638	3.1
529.28387	2.2
539.30219	5.5
543.21674	3.2
543.29425	25.2
549.28424	4.3
555.29553	3.5
557.31183	2.9
567.29504	29.7
573.30554	19.6
585.30548	100.0
586.30682	5.9
603.11359	4.0
603.31512	99.3
604.31824	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35289	0.6
53.06995	0.6
55.05490	1.7
57.05521	0.5
57.07055	1.1
62.32040	0.6
67.05499	3.1
67.42344	0.5
69.07059	22.1
69.73625	5.0
70.07401	0.7
79.05475	2.1
81.06601	1.2
81.07047	15.2
83.08594	1.7
91.05453	2.1
92.05821	0.5
93.07056	2.6
95.04938	0.7
95.08605	5.0
98.20732	1.1
105.07018	2.3
106.07274	0.6
107.08556	2.1
109.06506	1.3
109.10137	2.1
110.10419	0.7
119.08574	3.3
121.06491	0.7
121.10119	2.1
123.08068	0.8
123.11681	1.8
123.42295	0.6
131.08531	1.5
133.10097	1.4
135.08083	0.6
135.11659	1.2
137.13231	1.6
143.08530	1.3
145.10065	2.0
147.11598	0.9
155.08577	0.7
157.10088	1.5
159.11659	1.1
163.11066	0.6
165.05496	2.9
165.09079	1.4
171.25560	0.6
179.03403	0.8
190.13377	0.6
195.11705	0.6
201.05490	2.1
203.14294	0.8
205.08530	0.8
219.10110	1.1
221.15338	3.3
222.15681	1.1
223.09642	1.3
229.04933	10.3
234.15692	0.6
235.68130	0.7
237.11357	1.1
257.04413	29.7
258.04739	1.0
269.04468	1.3
271.05804	0.8
273.03931	2.3
285.03894	100.0
286.04321	3.6
287.05502	1.6
294.05206	0.8
297.03900	2.6
299.05533	4.5
311.05338	1.5
311.08722	0.7
313.07010	3.1
313.10715	1.7
321.07602	0.9
323.09100	1.3
325.06961	1.7
327.08459	3.2
335.09225	1.1
339.08698	2.1
340.23917	0.7
341.10153	53.7
342.10669	1.3
345.20465	0.8
353.10065	4.1
353.23868	0.6
355.11600	2.6
367.11563	0.9
369.13300	1.6
383.14633	1.4
391.14999	0.6
395.14899	1.3
397.16409	47.3
407.14844	1.8
409.16330	8.3
415.58743	0.7
440.29611	0.7
441.29474	1.5
451.21088	1.2
463.20865	1.1
465.22675	65.4
466.23026	2.1
477.22620	3.5
521.35529	1.5
533.28888	24.2
601.42285	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79107	3.6
51.87456	3.2
55.05504	13.5
57.07071	27.1
65.03920	4.9
67.05498	23.6
69.03428	9.3
69.07056	18.2
70.88123	3.6
71.08620	25.3
71.82032	7.2
73.06541	5.6
73.38815	3.6
79.05483	28.7
81.07040	34.8
83.04980	12.2
83.08613	12.6
85.06515	6.9
85.10173	10.5
87.04459	13.5
89.06023	100.0
89.06581	5.4
91.05461	34.9
93.07037	49.8
94.07362	4.7
95.04977	19.2
95.05560	3.1
95.08587	25.1
97.06550	11.5
97.10145	4.2
97.33810	3.4
105.07021	61.5
106.01512	3.7
107.08583	47.8
108.08941	3.8
109.06504	12.6
109.10134	28.9
111.11681	4.4
113.09640	5.3
117.07011	10.8
117.09108	7.0
119.08574	60.4
121.06480	8.4
121.10133	41.0
123.08062	21.3
125.09594	8.2
128.06186	11.6
129.06970	11.9
131.08553	34.4
132.09267	3.9
133.08594	58.1
133.10101	44.2
135.08058	12.8
135.11681	8.7
137.09625	10.4
139.11171	5.2
141.06982	8.5
142.07756	20.2
143.08556	34.6
144.09358	11.9
145.06529	6.0
145.10123	50.7
146.10542	3.8
147.08023	11.7
147.11674	24.0
148.78802	3.5
149.09599	15.0
151.07521	7.6
152.10564	3.4
155.08589	11.7
155.10677	9.5
156.09370	17.0
157.10114	52.8
158.10902	4.7
159.08025	18.0
159.11670	36.3
161.09590	11.7
161.13239	7.4
163.11140	9.2
165.06970	9.6
165.09079	9.2
167.08546	7.7
167.10695	14.0
168.09341	5.6
169.10095	24.7
169.21080	3.8
170.10884	6.1
171.11668	31.7
173.09660	7.1
173.13300	15.8
175.11206	12.2
175.14857	5.0
177.08994	3.7
177.11206	24.4
179.08553	10.4
180.09398	6.5
181.10178	12.8
181.12186	5.0
182.10938	7.0
183.11658	21.9
185.13243	15.5
187.11125	5.2
187.14804	10.4
189.12709	6.8
191.14346	4.5
192.09380	5.1
193.10155	11.0
194.10960	9.9
195.11623	17.3
196.12465	5.8
197.13261	24.7
199.11171	7.5
199.14796	8.5
201.12836	6.8
203.14337	9.1
207.11652	9.8
208.12521	5.5
209.13374	17.5
209.15213	5.0
211.14868	14.7
212.11800	4.1
213.12764	9.0
213.16383	5.2
213.22217	4.4
215.14339	9.4
221.13416	11.0
221.15398	20.7
223.09599	5.7
223.14818	13.8
225.16394	5.1
227.14291	4.4
229.15814	4.6
233.13290	4.7
233.15382	15.6
234.16199	8.7
235.14726	6.8
237.16339	8.7
245.09821	4.5
245.13206	5.5
246.13875	5.3
247.14857	5.2
249.16330	10.8
251.18004	5.7
253.16006	4.0
255.17421	21.6
257.24814	8.5
261.16263	8.3
263.17938	4.4
265.19547	4.4
269.19046	8.1
270.19705	4.8
281.18970	4.6
282.19733	3.8
285.18430	5.3
289.19351	3.9
295.20477	6.1
299.20074	4.9
301.27383	6.5
327.20090	5.0
383.25815	5.4
415.25406	14.9
442.41147	4.5
582.39429	6.0
583.43353	9.1
600.41754	17.2
601.37146	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01846	2.5
55.05499	9.4
57.07070	17.8
59.04988	3.3
61.09881	2.9
65.03941	3.4
67.05493	18.0
67.61295	2.2
68.05843	2.3
69.03429	5.6
69.07058	25.8
69.51215	24.5
79.05480	19.3
81.07052	43.2
82.07371	3.7
83.04967	7.4
83.08602	3.3
85.06535	8.1
89.06025	10.5
91.05460	30.6
92.06287	2.5
93.07029	42.6
94.07328	3.1
95.04957	12.8
95.08594	35.6
97.06554	2.5
105.07016	51.4
107.04942	2.9
107.08567	31.3
107.09242	2.6
108.08910	3.0
109.05858	2.3
109.06490	14.0
109.10141	14.5
110.10479	3.8
111.08048	3.6
115.05381	3.4
117.07022	11.8
119.08569	64.1
121.06504	6.9
121.10127	34.2
123.08060	18.7
123.11686	12.6
125.05985	11.4
128.06224	5.3
129.06993	12.3
130.07784	4.1
131.08553	25.1
132.09291	2.7
133.06505	5.8
133.08600	6.7
133.10120	25.2
135.08051	19.8
135.11699	14.8
137.09604	13.0
141.07018	2.6
142.07777	10.1
143.08559	26.1
144.09331	8.1
145.06548	2.9
145.10114	45.3
146.10387	2.8
147.08044	32.7
147.11676	12.8
149.09607	10.6
149.13266	2.6
151.07542	11.1
151.11095	3.4
153.09116	2.8
153.12831	2.3
155.08553	9.9
156.09325	9.3
157.10103	34.2
157.11237	2.9
158.10855	5.1
159.08084	6.4
159.11690	22.7
160.08824	3.7
160.12202	2.7
161.09560	11.7
161.13257	7.0
163.11142	22.6
164.11531	2.6
165.05482	6.6
165.09102	49.9
166.09445	4.3
166.54277	2.2
167.08530	2.5
168.09317	3.7
169.10083	15.1
170.10867	5.3
171.11629	18.2
172.12331	3.3
173.09634	8.6
173.13292	10.0
175.11153	20.0
175.14726	3.0
177.09081	3.5
177.12714	2.9
178.09901	2.9
181.10078	8.0
181.12228	25.3
182.10802	5.1
183.11673	15.1
184.12463	4.2
185.09612	3.0
185.13226	7.6
187.11208	8.5
187.14885	4.5
189.12718	12.4
190.13530	9.2
191.10641	6.8
193.10229	4.4
193.12245	12.2
195.11639	9.1
195.13667	3.4
196.12416	4.3
197.09618	2.6
197.13251	10.1
199.11180	7.7
199.14911	3.9
200.11804	3.7
201.12732	10.2
201.16409	5.7
203.14259	18.8
203.17998	2.5
204.18141	3.5
205.08531	13.1
206.08923	2.6
207.11853	4.6
207.13779	10.5
208.12679	2.7
208.14543	7.7
209.13237	8.0
209.15303	3.3
210.13951	5.1
211.11282	4.2
211.14795	7.3
213.12613	4.3
215.10597	3.1
215.14352	4.0
217.15926	2.6
219.13809	6.1
221.13464	4.0
221.15349	100.0
221.17535	5.3
222.15681	8.9
223.09557	11.0
223.14839	6.1
224.09932	5.7
225.12787	3.9
225.16281	3.3
227.14317	5.4
229.04936	5.5
229.12274	3.4
229.16048	3.4
233.15317	4.6
234.16118	24.1
237.16431	3.0
241.15794	3.4
247.16946	28.5
248.17557	4.3
249.16371	3.3
251.17976	3.0
253.16034	2.8
257.04376	12.6
257.08179	2.5
257.15689	2.6
259.16919	5.3
271.17075	3.2
273.18484	3.1
274.19214	17.0
279.17358	3.7
281.14703	2.8
283.26303	7.3
285.03909	35.4
286.19315	6.7
287.20020	8.4
297.18536	3.3
299.20016	18.5
300.20618	2.7
311.19974	2.8
312.20798	11.5
313.21561	9.8
325.21478	17.2
327.23260	2.5
337.21643	5.2
339.23224	8.6
340.23898	19.1
341.10150	17.9
345.20593	6.9
346.21008	7.7
352.23877	35.2
365.24777	7.4
366.25348	3.8
377.24533	2.9
379.26205	5.8
387.25284	5.6
391.26257	3.4
397.16544	18.3
400.26190	3.4
402.27649	3.1
413.26785	5.5
419.29410	11.9
420.29938	4.0
425.26999	12.6
426.27628	7.0
427.28470	17.4
440.29214	54.5
442.26181	5.4
465.22659	18.4
505.33124	3.8
507.34271	2.6
508.35150	5.0
520.35504	44.0
521.36108	4.6
533.29077	11.4
549.50818	2.8
564.37524	5.0
582.38409	9.1
585.39130	3.7
600.41589	36.2
600.51538	3.2
600.55804	5.3
601.34845	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	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05506	7.7
57.07066	13.1
59.04974	3.1
67.05506	10.3
69.03416	7.8
69.07043	6.4
70.04236	5.0
70.04665	5.5
79.05479	10.1
81.03378	2.0
81.07040	19.6
83.04958	7.2
83.08582	1.8
85.06519	5.4
89.06042	2.7
91.05468	29.2
92.06230	2.6
93.07029	36.1
95.04947	9.0
95.08595	22.6
95.55076	1.6
97.06505	4.7
97.33833	1.5
102.12838	1.9
103.05460	2.0
105.07016	41.6
106.07814	2.5
107.08582	20.2
109.06493	10.0
109.10134	7.4
109.72063	1.6
111.08078	2.7
115.05441	1.7
117.07001	14.2
119.04870	1.8
119.08558	55.2
119.09402	3.4
121.06503	7.0
121.10134	18.8
122.07264	2.0
123.08040	18.7
125.05965	12.6
128.06168	3.5
129.06996	9.4
130.07704	5.0
131.08553	20.4
132.09406	1.7
133.06432	5.6
133.08560	2.9
133.10106	21.1
134.10896	2.5
135.08031	18.9
135.11646	8.8
137.05939	2.2
137.09575	13.6
139.07494	2.7
141.06943	6.4
142.07758	8.9
143.08533	18.5
144.09297	5.9
145.06436	2.4
145.10117	39.0
146.10637	2.0
147.08034	32.4
147.11671	8.4
148.08687	2.6
149.09590	12.0
151.07526	10.2
154.07727	1.8
155.08510	8.5
156.09354	7.5
157.10110	32.3
158.10847	4.9
159.08052	8.9
159.11658	18.5
160.12173	2.8
161.09604	11.1
161.13226	5.9
162.10335	2.2
163.07489	2.3
163.11177	20.5
165.09094	52.9
166.09401	3.1
167.08534	2.9
168.09329	4.2
169.10080	14.6
170.10835	5.2
171.11668	17.5
172.12352	3.9
173.09604	8.2
173.13191	7.4
174.10341	2.8
175.11163	20.3
175.14603	2.7
177.09079	3.0
178.09921	2.9
179.08549	3.6
179.10515	2.6
180.09290	2.3
180.11429	2.1
181.10109	5.7
181.12204	22.7
182.10771	3.2
183.11630	13.3
184.12358	2.8
185.09558	2.9
185.13237	9.7
187.11180	6.8
187.14801	2.8
189.12660	8.5
190.13515	11.4
191.10626	4.5
191.14351	2.8
191.28841	1.8
193.10126	4.3
193.12204	12.7
194.10880	3.9
194.12674	1.6
195.11690	8.7
195.13658	2.8
196.12425	3.2
197.09584	2.1
197.13246	10.7
199.11191	6.1
199.14734	4.1
201.12648	8.5
203.08661	1.7
203.10526	2.0
203.14290	20.3
205.12202	2.3
206.12872	1.8
207.11777	4.8
207.13786	13.8
208.12416	3.3
208.14545	7.2
209.13181	10.7
209.15092	3.2
210.13959	3.9
211.11226	3.0
211.14790	7.4
212.11938	3.1
212.15572	2.1
213.12691	5.8
213.16304	2.0
215.14415	3.9
216.14986	2.5
219.13812	9.9
221.13297	5.6
221.15323	100.0
222.15710	7.8
223.14807	5.6
225.12767	3.4
225.16322	2.6
227.14262	4.3
229.15741	2.8
231.13850	2.0
233.13239	3.7
233.15370	4.1
234.16100	19.8
235.14639	3.8
235.16768	2.3
237.12726	3.8
239.14420	4.3
240.18692	2.7
241.15907	3.7
243.13739	3.0
247.14769	1.5
247.16910	33.1
248.17712	2.7
249.16270	2.1
251.14206	3.2
253.15894	2.1
259.16949	5.1
260.17490	2.1
261.15988	1.8
261.18542	3.5
265.15884	2.8
267.17325	2.3
269.15381	2.7
269.18738	2.2
271.16858	3.8
273.18460	3.0
274.19287	17.3
279.17520	4.2
281.19037	3.3
285.18542	4.4
286.19174	5.2
287.20084	12.6
297.18442	2.2
298.19220	2.1
299.20099	17.5
300.20395	3.0
307.20471	3.7
311.19977	4.5
312.20755	8.3
313.21603	8.8
319.20590	2.7
325.21484	18.5
327.23080	2.5
337.21555	3.1
339.23068	6.0
340.23880	19.6
352.23901	30.6
353.24628	3.5
365.24655	4.8
366.25278	4.9
377.24866	2.1
379.26138	4.8
387.25357	3.6
391.26117	4.8
393.27728	2.8
400.25754	3.5
411.24731	2.1
413.26712	6.8
419.29434	8.2
420.30060	4.1
425.26971	10.6
426.27335	6.3
427.28494	17.9
440.29160	57.9
441.29401	3.3
442.30737	3.9
454.30173	2.2
507.34415	3.6
508.34991	3.6
520.35394	42.5
521.35950	3.1
585.38885	4.2
600.41498	36.8
601.41394	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.1
55.19314	3.3
57.07059	16.2
59.04983	5.1
64.10284	3.3
66.05345	3.7
67.05487	17.9
69.03413	10.2
69.07051	8.7
69.61768	36.7
79.05470	10.5
81.07059	18.9
87.41859	4.0
89.06013	16.1
91.05467	25.9
93.07039	29.4
95.04948	14.3
95.08592	20.0
105.07018	46.2
107.08599	20.3
109.06516	9.8
109.10153	9.4
117.06991	9.4
119.08560	53.4
120.08907	3.7
121.06490	8.2
121.10142	21.7
123.08048	17.5
123.11668	5.9
125.05980	14.9
128.06274	4.9
129.06999	4.0
131.08560	21.4
133.08575	11.5
133.10133	19.4
135.08043	16.4
135.11673	10.1
137.09572	13.7
142.07791	4.0
143.08548	14.9
144.09332	5.4
145.10106	37.8
147.08023	29.2
147.11681	10.7
149.09596	14.2
151.07550	11.3
155.08521	8.4
156.09412	5.9
157.10106	29.9
158.10957	4.6
159.08095	4.2
159.11652	23.7
160.08820	4.0
161.09575	10.6
163.11179	24.6
165.09096	40.2
166.09641	4.4
168.09303	5.9
169.10103	11.3
171.11656	12.3
172.12343	4.7
173.09662	5.7
173.13304	9.2
175.11147	15.6
177.09067	4.6
177.11134	3.9
181.10164	9.5
181.12233	17.0
183.11671	14.2
184.12500	4.0
185.13159	6.5
187.11127	8.1
187.48454	4.6
189.12769	7.7
190.13443	9.2
193.12230	11.9
195.11661	7.7
197.13300	10.9
201.12694	6.7
203.14316	20.2
207.11603	6.6
207.13733	8.8
208.14526	12.0
209.13231	12.5
211.14865	7.0
215.14445	5.5
219.13635	9.8
221.13293	6.8
221.15350	100.0
222.15688	10.6
223.09476	6.5
223.14703	6.6
227.14372	6.1
233.15424	6.2
234.16167	16.5
237.12680	5.4
239.56580	3.7
247.16960	23.7
248.17648	5.5
253.15967	3.7
274.19266	15.7
287.20145	9.6
297.18463	7.1
299.20047	17.8
310.19470	4.2
312.20767	6.6
325.21686	10.7
327.23010	6.5
339.23108	6.9
339.29309	3.6
340.23947	17.8
352.23984	32.7
365.24796	8.8
371.21774	4.1
379.26047	4.6
387.25134	4.2
392.27014	7.0
396.44400	3.9
413.26822	7.3
415.25494	5.7
419.29434	14.5
420.30051	6.4
425.26703	7.1
426.27383	5.7
427.28317	14.3
440.29294	54.9
476.22165	4.4
508.35147	8.2
520.35492	42.7
600.41669	40.5
600.55634	6.1
601.42725	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63240	1.5
53.03933	2.1
55.05507	7.9
57.07069	11.4
59.04969	3.7
63.61521	2.0
67.05495	9.6
69.03426	7.5
69.07058	9.0
71.06415	3.5
77.03907	1.9
79.05159	1.3
79.05492	14.2
81.07043	21.8
81.40900	1.4
83.04940	7.7
83.08606	2.6
85.06526	5.6
91.05467	25.6
93.07034	27.9
95.04955	10.2
95.08594	19.0
97.06521	7.6
105.07015	47.1
106.07233	1.9
106.07845	2.3
107.04937	2.0
107.08583	23.9
109.06509	12.2
109.10125	6.9
111.08068	2.2
117.07006	13.5
118.07782	1.5
119.07734	3.1
119.08572	55.0
120.09424	1.7
121.06493	6.1
121.10122	20.4
123.08057	17.2
125.05979	14.6
128.06213	4.6
129.06999	10.3
130.07765	3.3
131.08557	21.8
133.06468	3.9
133.08521	2.1
133.10118	22.5
134.10890	2.3
135.08044	19.4
135.11647	6.4
137.05981	2.8
137.09608	12.8
139.07451	2.0
141.06960	3.7
142.07799	8.7
143.08580	18.6
144.09241	5.1
145.06488	1.7
145.10114	35.4
146.10541	2.1
147.08040	28.5
147.11652	10.4
148.08571	2.4
149.09564	13.2
151.07538	10.4
151.11124	1.9
155.08507	8.7
156.09361	9.4
157.10118	29.1
158.10818	5.1
159.08040	6.6
159.11685	20.1
160.12248	2.1
161.09653	10.9
161.13231	6.8
163.11156	19.5
165.07004	2.3
165.09100	48.5
166.09460	2.7
167.08522	3.3
168.09302	3.4
169.10066	14.1
170.10759	5.6
171.11670	15.2
172.08931	2.1
172.12349	3.2
173.09598	9.7
173.13258	6.3
175.11111	16.9
175.14792	2.2
177.09088	4.2
177.12703	2.2
178.09859	2.5
179.08514	2.8
179.10800	1.8
180.09280	3.4
180.11333	2.3
181.10127	5.5
181.12225	19.2
182.10881	5.6
183.11684	12.7
184.12379	3.0
185.09618	5.1
185.13210	8.4
187.11171	6.2
187.14767	2.7
189.12802	8.4
190.13477	10.7
191.10632	5.8
191.14183	1.9
192.11238	2.0
193.10268	3.7
193.12242	14.1
194.10864	3.2
195.11685	9.2
195.62543	1.6
196.12410	2.8
197.09613	3.0
197.13139	7.6
199.11163	6.9
199.14810	4.3
201.12762	7.5
203.14325	20.1
203.17937	5.1
204.14687	1.9
205.08530	2.4
206.10826	2.0
207.11716	5.1
207.13794	11.8
208.12474	4.5
208.14528	10.5
209.13199	9.0
209.15068	2.2
210.13936	1.9
211.11198	3.9
211.14801	6.8
213.12692	5.6
215.14285	2.9
216.15132	2.4
219.11787	2.8
219.13670	7.9
221.13283	5.7
221.15324	100.0
222.13983	1.7
222.15723	13.2
223.09557	3.8
223.14812	2.8
225.12682	4.4
227.14250	2.2
229.15924	2.5
231.13745	2.1
233.15332	4.7
234.16086	18.0
235.14740	2.5
237.16428	2.8
241.15846	3.9
243.13843	2.1
247.14679	2.8
247.16924	27.5
248.17493	7.5
249.16313	3.0
253.15858	3.0
257.15332	2.5
257.18994	1.8
259.16940	3.5
265.15836	3.1
267.17209	2.1
269.15399	3.6
271.16983	2.0
273.18753	2.1
274.19235	11.9
281.18970	1.9
285.18323	2.4
286.19296	3.8
287.20004	10.3
291.17404	1.9
293.18860	2.2
297.18811	2.5
297.22256	1.7
298.19165	2.7
299.20056	18.4
300.20667	4.1
307.20520	2.2
310.19122	2.2
311.19907	4.9
312.20782	8.2
313.21738	7.7
319.20523	2.1
325.21631	16.8
326.22198	1.8
326.29190	1.7
327.23032	3.7
337.21341	2.9
339.23068	6.4
340.23929	17.0
352.23914	29.1
353.24567	3.1
365.24686	5.2
366.25302	5.1
379.26157	6.1
384.05209	1.7
387.25314	2.5
391.26001	2.7
392.26868	4.2
400.26093	2.1
413.26816	4.2
419.29285	8.1
420.30157	3.4
425.26517	7.3
426.27576	6.1
427.28552	16.4
428.28696	2.0
440.29190	52.5
442.30780	2.2
454.30756	3.5
505.33322	2.2
507.34497	3.0
508.35220	6.0
520.35474	44.9
524.81927	2.0
582.39587	2.8
585.39130	2.6
600.41455	51.0
601.41858	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	599.4301
Annotation	Hericenone G
Peak:m/z	Relative Intensity
53.03930	2.9
54.61292	1.9
55.05510	10.1
55.44439	1.9
57.03433	2.4
57.07067	26.5
59.04985	2.6
67.05495	33.2
69.03391	3.1
69.07053	38.0
71.58742	2.0
71.80981	2.1
71.81422	4.5
79.05487	19.0
81.07047	51.6
83.08603	8.5
85.06528	7.3
91.05477	19.9
93.07035	44.9
94.07340	2.2
95.04964	5.1
95.08589	32.8
97.10175	4.3
105.03393	2.9
105.07008	21.8
107.08582	38.5
109.06500	5.1
109.10144	28.6
117.07015	4.4
119.08570	11.0
121.06453	3.0
121.10125	27.1
123.11687	21.2
127.07544	2.5
131.08525	3.6
133.10124	35.0
133.11063	4.1
135.08055	2.3
135.11668	45.9
137.05971	2.9
137.09561	3.1
137.13228	2.9
139.33369	1.8
143.08551	4.7
145.10069	9.8
147.11652	14.6
149.05952	2.5
149.09631	3.1
149.13243	8.1
151.07555	1.9
153.05435	8.8
157.10085	6.9
157.11281	2.0
159.11696	10.0
161.13266	6.6
163.07545	3.3
163.11140	3.5
163.14764	5.1
165.05469	21.8
165.09084	2.6
165.12799	2.7
167.07011	33.1
171.11719	3.4
173.09581	2.7
173.13196	2.6
175.14781	8.6
175.96686	2.2
176.08278	1.9
177.09076	10.1
177.16394	2.9
179.06995	9.9
181.08603	5.5
189.09012	4.0
189.16333	3.4
191.07021	8.6
191.10657	7.9
201.09145	3.3
201.16383	2.5
203.06985	4.2
203.10461	2.3
203.17989	5.6
205.08600	33.1
207.10153	5.9
213.16354	2.7
215.10771	3.7
215.17923	3.2
217.08589	3.8
219.06552	7.2
219.10123	47.5
221.11760	2.5
221.15260	3.6
223.09631	7.6
225.11108	5.2
231.10139	7.4
233.11667	25.5
237.11191	47.5
245.11703	4.1
251.12759	26.6
257.11676	12.6
259.13202	2.5
261.11316	2.4
269.22696	5.0
271.24219	8.9
275.12747	26.0
275.15976	3.9
285.14813	9.0
287.16306	21.0
289.14734	2.7
289.17935	40.8
303.15851	18.6
305.17612	2.5
317.17358	4.4
318.74771	2.7
341.21097	12.3
343.22641	3.2
345.20584	11.7
357.20505	8.3
359.22119	100.0
373.23596	7.3
423.28906	66.7
477.33679	3.5
493.32907	5.3
495.34665	96.2
496.34598	3.1
507.34555	11.1
563.40863	17.5
571.35181	2.3
581.40387	4.2
599.40759	2.8
599.51044	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	599.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01886	1.2
55.05487	1.6
56.03643	1.0
57.03427	2.4
57.07068	8.2
58.42702	1.1
65.13203	1.0
67.05486	4.7
69.07064	9.5
69.75482	1.2
69.75889	8.2
73.26360	0.9
79.05482	5.3
81.06664	1.0
81.07053	12.0
83.01311	2.1
85.06521	1.5
91.05468	5.5
93.07027	10.8
95.08601	6.6
97.10150	1.2
104.01021	1.2
105.07006	5.2
107.08585	8.7
109.06479	2.4
109.10119	5.3
117.07008	1.1
119.08585	2.7
121.06454	2.7
121.10121	5.9
123.11694	25.3
131.08569	1.6
133.10133	5.4
135.08029	2.5
135.11673	15.1
137.05992	1.6
139.03859	1.3
139.07449	1.2
145.10124	5.3
147.11667	3.0
149.05971	2.4
149.09619	2.3
149.13193	1.4
151.07516	1.3
153.05447	7.1
157.10143	1.9
159.08003	1.2
159.11665	1.6
161.00438	1.1
161.05936	1.4
162.06754	2.1
163.07491	3.2
163.11110	1.9
163.14751	1.5
165.05455	55.0
167.07021	31.6
173.09587	2.4
175.18689	1.1
176.08336	2.1
177.05453	1.1
177.09088	11.9
177.16400	1.9
191.07008	1.2
191.10641	6.1
201.09192	4.9
203.17903	3.4
204.07770	1.7
205.08603	4.9
215.17735	1.0
219.10141	72.2
221.11697	41.8
221.15067	1.3
223.09676	3.9
229.08653	1.1
237.11188	100.0
238.11351	1.2
271.24036	1.5
287.16379	5.8
289.18060	5.3
305.17386	10.2
305.70200	1.0
343.22659	6.7
344.23538	1.2
345.20505	3.0
359.21912	6.7
423.28867	21.3
427.28354	4.4
450.39825	1.1
479.35089	3.8
493.33539	1.3
495.34695	17.7
507.34509	2.2
539.40826	1.2
563.40704	3.6
599.41748	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59656	0.6
53.03941	2.4
53.08086	0.7
55.01860	1.3
55.05506	9.7
57.03416	1.3
57.07068	5.2
59.04993	2.5
64.00710	0.7
65.03934	1.8
67.05498	18.1
69.03414	10.9
69.07059	8.7
71.04982	2.4
71.78159	0.9
77.03918	0.8
79.05481	14.8
81.03406	5.3
81.07048	18.6
81.07497	1.3
83.04969	11.1
83.08609	5.7
85.02898	1.3
85.06532	5.5
87.04439	1.5
87.96246	0.7
91.05467	24.4
93.07037	25.9
95.04952	12.6
95.08593	14.2
97.02878	1.9
97.06501	6.0
97.10155	3.6
103.05463	3.0
105.07017	35.1
107.04952	2.6
107.08582	26.9
108.05792	0.7
108.08927	0.8
109.02881	2.2
109.06518	9.4
109.10140	12.6
110.10501	0.7
111.04439	0.9
111.08077	4.1
113.09628	1.4
115.05455	3.3
115.95259	0.7
117.07008	8.3
117.55708	0.8
119.04917	0.9
119.08566	31.5
121.06483	8.6
121.10130	27.3
123.04462	0.9
123.08063	11.5
123.11691	2.7
125.05967	1.9
125.09632	6.4
128.06192	5.0
129.07005	7.8
130.07751	1.9
131.08549	17.0
131.09483	1.2
132.09119	0.7
133.06505	2.6
133.10100	17.9
133.11029	1.2
135.08032	10.3
135.11687	8.2
135.18816	0.7
137.05965	1.4
137.09598	7.8
139.07571	2.0
139.11189	2.6
141.06981	3.8
142.07774	9.3
143.08546	19.8
144.09364	5.7
145.06487	1.9
145.10106	24.7
145.11253	1.4
146.07202	0.9
146.10602	0.8
147.08023	14.5
147.11671	6.8
148.08739	0.8
149.09608	12.4
149.13268	1.7
151.07507	12.7
151.11159	1.6
153.06937	1.9
153.09108	2.6
154.07787	1.9
155.08534	10.4
155.10571	1.1
156.09319	7.9
157.10110	23.5
158.10834	3.0
159.08043	9.7
159.11664	15.0
160.08847	1.1
161.09605	8.7
161.13290	3.0
163.11179	7.7
165.06985	2.7
165.09099	18.8
166.07825	1.6
167.07306	0.8
167.08542	3.7
167.10652	12.0
168.09325	3.9
169.10106	16.5
170.10866	3.5
171.08058	1.9
171.11685	14.0
172.08754	1.7
172.12309	0.8
173.09599	5.8
173.11812	1.0
173.13219	7.9
174.10439	0.9
175.11163	5.7
175.14816	1.9
177.09148	2.4
177.12752	1.9
179.08566	4.3
179.10701	0.9
180.09340	2.5
181.10117	5.8
181.12180	4.8
182.10863	5.4
183.11656	11.9
183.13158	1.0
184.12436	1.7
185.09637	2.9
185.13240	7.4
186.10466	1.2
187.11174	4.3
187.14801	2.5
189.11238	1.4
189.12665	5.6
190.13333	1.3
191.10709	1.5
191.14330	3.1
192.09334	1.8
193.10182	5.2
193.12251	2.5
194.10886	4.1
195.11662	9.5
195.13457	1.3
196.12416	3.6
197.09624	2.1
197.13237	10.5
198.10329	1.1
198.14006	1.1
199.11206	4.2
199.12984	0.8
199.14807	3.8
200.11943	1.3
201.12802	3.2
201.16391	1.0
203.08293	0.8
203.10374	0.7
203.14291	6.4
205.10168	1.9
205.12363	1.1
206.10808	3.6
207.11711	7.8
207.13824	7.7
208.12471	4.2
208.14273	1.0
209.13284	9.8
209.15395	2.8
210.14037	1.9
211.11237	2.6
211.14868	4.5
213.12814	2.8
213.16302	1.1
215.14232	5.2
217.10150	1.2
217.12282	1.7
217.15900	1.4
218.10890	1.9
219.11690	2.3
220.12459	1.9
221.13275	6.7
221.15291	34.2
222.13896	1.4
223.11343	1.7
223.14806	4.7
225.12700	3.5
225.16298	3.5
227.12717	2.3
227.14587	1.5
229.12257	1.7
229.15997	1.2
231.11742	1.9
231.13770	1.1
232.12350	1.7
233.13268	3.1
233.15323	27.9
234.13892	1.0
234.16054	1.4
235.14917	4.6
235.16888	1.3
236.15602	1.4
237.12694	1.5
237.14764	2.1
237.16624	2.1
239.14326	1.9
239.18092	1.0
241.15915	1.3
243.11655	1.1
244.12491	1.0
245.13293	2.2
246.14049	1.5
247.14836	3.3
247.17049	2.5
248.15637	1.6
249.12679	1.0
249.16376	2.4
251.14406	1.4
251.18076	1.0
253.15947	1.3
255.17584	1.3
257.13245	1.0
257.19147	1.1
259.14838	2.8
260.15424	1.1
261.16446	2.0
262.17178	1.4
263.14188	1.0
263.18021	1.8
265.15820	1.2
265.19644	1.2
266.06229	0.8
267.17548	1.4
269.13190	0.9
269.19061	1.9
273.16187	1.3
273.18680	1.3
274.19315	1.3
275.17865	1.4
277.15848	0.9
279.17380	1.2
281.18985	6.9
283.15332	1.3
284.15536	1.1
285.16016	1.2
285.18805	1.8
286.19339	2.9
287.20172	2.0
289.19598	1.1
293.19159	1.1
295.20505	0.8
297.18744	1.0
299.14981	0.9
299.20200	3.2
301.22031	1.0
307.20551	1.1
311.20261	1.7
312.20883	1.3
325.21515	1.1
349.21597	1.4
351.23337	0.9
352.23880	1.1
355.24399	0.9
364.24011	2.8
365.24756	3.0
373.25293	1.9
377.24612	1.6
383.25687	1.2
391.26373	3.4
401.27258	1.3
417.28030	1.0
423.29190	1.0
441.29987	2.5
445.31140	0.9
471.32568	1.0
489.33838	2.6
493.33368	2.4
507.34653	65.7
508.34857	3.9
581.30542	1.9
581.39966	5.9
599.40961	100.0
600.41138	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	599.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.9
55.05491	4.1
55.12556	0.7
57.07067	6.9
59.04959	2.7
65.03908	0.8
67.05492	9.2
68.05804	0.7
69.03416	7.1
69.07049	3.4
71.04958	1.1
71.78913	1.2
73.35850	0.7
79.05479	8.5
80.54727	0.7
81.03372	2.5
81.07043	10.0
82.69971	0.8
83.04955	3.8
83.08575	1.4
85.02891	0.8
85.06511	4.5
91.05461	14.3
93.07022	17.2
95.04938	6.3
95.08585	13.4
97.06491	2.4
103.05407	1.3
105.07009	21.4
107.04987	0.7
107.08572	13.1
109.06502	5.5
109.10126	6.5
111.08047	1.4
115.05403	1.3
117.06978	4.7
119.08560	26.4
121.06485	4.5
121.10120	12.9
122.07262	0.7
123.04488	0.8
123.08036	10.9
123.11683	2.2
125.05953	2.6
125.09588	0.9
128.06174	2.0
129.06969	3.8
130.07698	2.3
131.08543	10.1
133.06450	2.2
133.10097	12.5
135.08037	10.6
135.11673	4.4
137.05943	1.0
137.09575	11.2
139.07539	1.7
141.06894	2.2
142.07750	4.9
143.08536	9.3
144.09329	1.6
145.10094	16.4
147.08020	22.4
147.11722	3.5
149.09560	3.2
151.07509	8.7
153.06946	0.9
155.08493	3.7
156.09325	4.2
157.08899	1.2
157.10098	14.0
158.10777	0.9
159.08008	2.6
159.11679	8.7
161.09607	4.9
161.13234	6.1
163.11151	6.8
165.09087	45.0
167.08546	1.5
167.10623	2.0
168.09279	2.6
169.10124	7.1
170.10846	2.7
171.07977	0.9
171.11642	9.4
173.09586	3.1
173.13226	3.2
175.11140	3.0
175.14789	1.8
177.09077	1.8
177.12692	0.8
179.08481	1.4
179.10641	1.0
180.09276	0.9
181.10175	3.5
181.12160	6.4
182.10884	2.2
183.11644	11.7
185.09724	0.8
185.13213	7.5
187.11148	3.3
187.14809	1.6
189.12730	3.9
191.10597	3.7
192.11380	0.7
193.10077	2.1
193.12245	0.8
194.10870	1.0
195.11610	3.5
195.13521	1.0
196.12468	1.2
197.13261	5.0
198.14053	0.8
199.11122	2.3
199.14810	1.2
201.12772	1.8
203.14279	18.2
205.10046	0.9
207.11612	2.6
207.13788	4.3
209.13257	3.9
209.15150	1.1
211.11174	1.3
211.13054	0.8
211.14796	5.4
213.12747	2.5
215.10616	0.8
215.14268	1.3
217.12199	0.9
219.11766	1.3
219.13686	1.3
221.15323	100.0
222.15709	2.3
223.11166	1.1
223.14751	1.8
225.12737	1.1
225.16338	1.4
227.14374	1.1
229.12248	1.3
229.15926	1.4
232.12222	0.9
233.13214	2.2
233.15376	1.9
235.14899	1.7
235.16968	1.1
239.14240	1.3
247.16914	15.1
253.15862	1.1
257.15344	1.0
259.14798	1.0
261.18604	1.1
263.17947	1.2
267.17267	0.9
269.18970	1.1
281.18881	2.0
283.77264	0.9
287.20117	6.8
299.20154	4.9
301.21613	2.4
307.20218	0.8
311.20035	1.9
313.21628	2.1
325.21643	2.4
327.23090	1.9
365.24857	4.7
373.25333	0.8
387.25946	0.9
391.26318	9.7
413.26810	1.6
419.29401	2.7
427.28436	4.6
453.29968	1.8
507.34708	7.9
519.13843	0.8
519.34644	3.0
539.22662	1.9
581.39630	3.6
582.40100	1.1
599.26318	9.5
599.40790	77.3
600.25580	1.8
600.41095	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	599.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01868	1.2
55.05487	4.2
56.41661	1.1
57.03433	1.4
57.07064	1.9
65.03908	1.1
67.05495	13.4
69.03401	2.7
69.07053	11.0
71.04969	2.7
71.08585	1.1
71.82202	1.3
72.52336	1.1
79.05473	7.9
81.07048	16.8
83.01328	4.4
83.04949	1.2
83.08604	2.5
85.06540	2.6
91.05461	14.6
93.07042	18.3
95.04936	3.0
95.08588	15.0
97.06503	1.2
105.07010	19.3
105.07642	2.1
107.08581	16.7
109.06521	2.4
109.10139	19.8
111.08066	3.5
113.05968	1.4
117.07007	4.3
118.09273	1.1
119.08567	12.8
121.06470	4.6
121.10124	11.5
123.08067	2.1
123.11693	9.9
128.56693	1.1
129.07024	2.4
131.08551	8.2
132.49106	1.2
133.10115	12.5
135.08017	6.7
135.11664	15.1
137.09563	1.4
143.08531	2.1
145.10117	8.6
147.11667	14.5
149.05946	2.3
149.09602	3.7
149.13254	1.4
151.07530	1.5
151.11148	1.5
153.05457	3.2
157.10017	1.6
159.08017	4.6
159.11700	7.4
161.09506	1.1
161.13202	3.2
162.06737	3.0
163.07500	8.5
163.11195	3.0
165.05458	19.6
165.08998	1.7
166.06110	2.1
167.07043	10.1
167.59898	1.0
169.04927	6.5
171.11642	1.4
173.13246	1.5
174.88148	1.4
175.07487	1.5
175.14764	2.0
177.09090	13.2
177.12720	1.2
179.07133	1.3
183.11621	1.2
187.07491	5.1
189.16327	1.6
190.06325	1.4
191.18013	1.5
193.08614	1.8
201.16389	5.3
203.06923	2.9
203.17915	17.8
203.46912	1.1
205.08565	63.4
211.09633	2.0
217.08521	1.4
219.10088	1.3
219.17377	1.7
221.08052	2.6
221.15347	2.9
223.09613	100.0
237.18535	1.5
239.09073	2.3
245.11667	3.4
261.11255	2.1
272.79303	1.2
287.12823	2.4
287.16348	5.9
311.16370	1.3
325.18152	1.2
329.17462	3.1
343.18997	3.8
343.23181	1.0
345.20529	44.5
355.22583	4.7
357.20532	3.6
361.19888	1.3
363.21701	3.2
389.23175	27.6
425.26709	3.6
459.27350	22.5
511.34113	3.0
563.37964	1.1
581.37927	9.5
589.43329	1.2
599.40912	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	599.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03321	1.8
53.03923	2.3
55.05492	8.8
57.07066	2.6
60.61626	1.9
67.05500	17.0
69.07062	14.0
69.56077	20.4
71.04974	3.8
73.01359	2.1
74.67268	2.0
79.05468	10.7
81.07052	22.5
83.01344	4.0
83.04925	2.3
91.05470	17.9
92.75343	1.8
93.07024	22.3
95.04953	4.9
95.08588	21.3
97.06490	2.7
97.50635	1.8
101.94174	2.3
105.07011	26.3
107.08562	21.4
109.06512	2.5
109.10149	21.6
111.08051	2.3
117.06950	2.7
119.08562	17.5
121.06483	2.5
121.10124	22.4
123.08046	3.2
123.11684	16.3
131.08557	8.1
133.10117	15.2
135.08055	6.7
135.11653	15.6
137.05949	2.2
143.08528	3.1
145.10086	8.0
147.07918	2.0
147.11670	20.4
149.09575	3.9
149.13257	2.4
153.05409	5.2
157.10100	2.5
159.08005	5.5
159.11699	7.4
161.13206	6.0
162.06732	4.1
163.07530	7.5
165.05479	33.9
166.06189	2.0
167.07018	14.4
169.04924	6.3
173.09648	2.7
173.13271	2.5
175.07410	2.1
175.14792	2.2
177.09137	12.8
177.12758	2.3
179.07004	3.0
181.15974	2.2
183.11615	2.2
187.07491	3.7
191.07068	2.1
201.16350	4.4
203.06996	4.3
203.17918	27.6
205.08586	64.1
205.10521	3.2
219.10291	2.3
221.08096	2.7
221.15356	7.3
223.09627	100.0
245.11719	3.1
259.62265	2.0
262.18530	2.3
273.14847	2.1
277.09763	2.3
287.12946	2.7
287.16287	10.0
301.14221	3.0
333.17044	3.2
343.19052	6.9
345.20554	53.0
355.22607	8.6
357.20612	4.1
363.21408	5.3
389.18207	2.4
389.23154	38.5
402.30890	2.0
425.26630	6.4
459.27368	28.7
511.34158	2.5
581.38159	13.1
599.40045	6.1
603.30945	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03321	1.8
53.03923	2.3
55.05492	8.8
57.07066	2.6
60.61626	1.9
67.05500	17.0
69.07062	14.0
69.56077	20.4
71.04974	3.8
73.01359	2.1
74.67268	2.0
79.05468	10.7
81.07052	22.5
83.01344	4.0
83.04925	2.3
91.05470	17.9
92.75343	1.8
93.07024	22.3
95.04953	4.9
95.08588	21.3
97.06490	2.7
97.50635	1.8
101.94174	2.3
105.07011	26.3
107.08562	21.4
109.06512	2.5
109.10149	21.6
111.08051	2.3
117.06950	2.7
119.08562	17.5
121.06483	2.5
121.10124	22.4
123.08046	3.2
123.11684	16.3
131.08557	8.1
133.10117	15.2
135.08055	6.7
135.11653	15.6
137.05949	2.2
143.08528	3.1
145.10086	8.0
147.07918	2.0
147.11670	20.4
149.09575	3.9
149.13257	2.4
153.05409	5.2
157.10100	2.5
159.08005	5.5
159.11699	7.4
161.13206	6.0
162.06732	4.1
163.07530	7.5
165.05479	33.9
166.06189	2.0
167.07018	14.4
169.04924	6.3
173.09648	2.7
173.13271	2.5
175.07410	2.1
175.14792	2.2
177.09137	12.8
177.12758	2.3
179.07004	3.0
181.15974	2.2
183.11615	2.2
187.07491	3.7
191.07068	2.1
201.16350	4.4
203.06996	4.3
203.17918	27.6
205.08586	64.1
205.10521	3.2
219.10291	2.3
221.08096	2.7
221.15356	7.3
223.09627	100.0
245.11719	3.1
259.62265	2.0
262.18530	2.3
273.14847	2.1
277.09763	2.3
287.12946	2.7
287.16287	10.0
301.14221	3.0
333.17044	3.2
343.19052	6.9
345.20554	53.0
355.22607	8.6
357.20612	4.1
363.21408	5.3
389.18207	2.4
389.23154	38.5
402.30890	2.0
425.26630	6.4
459.27368	28.7
511.34158	2.5
581.38159	13.1
599.40045	6.1
603.30945	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
53.51201	1.6
55.05505	11.2
57.07065	10.3
65.03950	3.0
67.05494	31.1
69.03418	4.5
69.07059	30.6
71.04981	5.3
71.81805	2.5
71.82230	2.3
79.05477	18.2
81.07047	95.9
83.01340	3.6
83.04957	3.7
83.08614	5.5
85.06547	4.6
91.05479	27.4
93.07031	33.9
93.07585	2.5
94.07877	1.8
95.04968	7.1
95.08593	57.6
97.06509	6.7
97.10169	4.0
105.07018	48.5
107.04984	2.1
107.08578	34.6
109.06503	6.8
109.10149	48.9
111.08082	4.3
113.05988	4.1
117.07042	5.3
119.08569	41.1
121.06493	4.3
121.10122	31.8
123.04433	2.2
123.08082	4.5
123.11689	100.0
125.09644	2.7
127.11153	2.7
129.07001	3.2
131.08551	15.6
133.10109	23.4
135.07999	4.2
135.11699	20.4
137.05920	2.4
137.09616	3.3
137.13229	11.5
137.14203	1.6
139.11214	1.7
141.05424	1.9
142.07767	2.7
143.08539	4.2
145.10101	17.2
147.08047	2.2
147.11667	50.4
149.05988	2.0
149.09633	5.6
149.13252	6.8
151.07533	4.4
153.05482	4.0
157.10182	6.2
159.08029	4.9
159.11652	10.2
161.09651	3.2
161.13216	11.2
162.06786	2.2
163.07541	7.9
163.11197	4.8
165.05486	15.5
165.09106	2.9
165.12730	5.3
167.07079	10.9
169.05011	5.8
170.63968	1.9
171.11720	2.9
173.09630	4.4
173.13284	2.5
175.07538	2.3
175.11186	3.5
175.14767	9.6
177.05507	2.6
177.09108	9.8
177.12752	2.8
177.16365	2.2
179.06987	3.1
183.11685	2.5
187.07562	2.6
187.14723	4.0
189.05513	4.1
189.09145	2.3
189.16388	2.2
191.07054	5.7
191.17882	2.6
199.14873	4.6
201.16347	21.4
203.06998	3.8
203.17941	73.4
205.08575	31.0
207.06459	2.2
207.09979	2.5
209.08069	4.1
209.13292	1.8
209.36906	1.8
213.12691	3.0
217.08601	2.4
217.15947	2.4
219.10123	3.1
219.17435	11.6
221.15356	2.9
223.09615	48.6
225.07480	3.6
227.09085	12.1
231.13957	2.1
233.11618	2.5
237.11143	2.7
239.09105	2.6
239.14230	2.6
255.21280	1.8
261.11292	2.6
273.11188	4.2
273.14832	2.7
283.16562	2.3
287.13190	2.4
287.16403	8.2
289.14526	2.9
289.17838	2.6
299.19830	2.5
307.16913	3.2
325.18005	7.1
327.19476	2.2
332.27383	1.6
343.19034	25.9
344.19516	3.0
345.20572	28.6
355.22696	5.5
357.20621	4.2
359.22327	3.5
361.19910	9.3
363.21558	4.0
383.25876	2.6
387.63129	2.3
389.23120	3.6
411.25323	3.7
413.26480	2.3
425.26761	6.1
441.25949	2.8
443.28241	2.4
445.25812	1.9
459.27335	3.5
511.34048	2.5
529.36609	2.3
545.36597	2.7
547.37518	10.9
563.37061	6.3
565.38495	5.4
581.38245	11.6
599.39606	17.8
599.49487	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	599.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05502	13.7
57.07067	11.4
67.05491	26.1
67.25277	1.5
69.07056	18.7
71.04980	3.9
71.08621	4.5
71.79904	2.9
75.94130	1.9
79.05476	13.8
81.07045	38.7
83.01342	4.5
83.04969	3.5
83.08595	9.8
85.06526	3.4
85.10154	2.6
89.06021	14.7
90.06384	1.8
91.05472	20.7
93.07023	32.2
95.04955	5.9
95.08592	32.2
97.06530	5.2
97.10141	3.1
105.03377	2.0
105.07006	32.4
107.08579	41.8
109.06477	3.5
109.10127	24.6
111.08062	2.7
117.07021	6.3
119.08550	29.4
121.06491	5.6
121.10136	23.2
123.08067	5.6
123.11697	20.1
125.09608	2.8
129.43388	2.3
131.08531	10.2
133.08551	8.5
133.10100	20.3
135.08078	6.2
135.11664	25.1
137.09608	3.2
139.11147	2.4
143.08560	3.7
145.10117	19.5
147.08055	5.4
147.11662	22.4
148.11969	2.2
149.09630	6.4
149.13231	5.6
153.05391	3.9
155.08578	2.0
157.10095	6.2
159.08052	6.2
159.11707	12.4
161.13268	6.3
162.06702	2.7
163.07468	10.8
163.11140	6.8
163.14783	2.2
165.05466	23.1
165.09058	4.9
167.07057	5.9
169.04921	2.6
171.11789	2.2
173.09721	2.3
173.13332	4.1
175.14774	4.0
177.09097	12.5
177.11246	4.4
181.10197	1.7
181.12128	1.9
183.11789	2.1
187.07521	4.5
187.14713	2.7
191.07152	2.1
191.17961	11.5
193.08606	2.5
195.11707	2.3
197.13203	2.7
201.09088	1.9
201.16367	14.7
203.07097	3.7
203.14244	3.7
203.17900	18.2
205.08578	62.2
205.10504	3.5
205.15868	2.4
209.13258	3.7
216.54042	1.8
219.10220	3.7
219.17407	15.9
221.07994	2.3
221.11743	3.1
221.15356	10.7
223.09619	100.0
227.14363	2.0
237.11131	5.8
237.18500	29.3
243.10057	2.0
287.12900	2.3
287.16364	6.6
343.18900	2.6
345.20615	49.3
355.22729	5.3
357.20685	2.4
359.22159	2.7
361.19858	2.2
363.21643	5.1
371.22122	2.5
389.23016	8.7
425.26801	6.4
441.26126	3.9
459.27338	6.4
474.06824	2.3
563.37500	5.3
581.38220	9.1
582.46313	2.4
599.41827	10.7
599.50000	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	599.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21332	0.4
53.03930	0.4
55.01855	1.0
57.03418	0.7
71.22211	1.2
79.05477	1.2
81.03402	0.7
82.68836	0.4
85.02888	2.0
95.04929	1.2
97.02888	0.9
103.05428	0.4
107.04939	100.0
108.05275	0.8
109.02872	0.8
114.11720	0.4
121.02857	2.0
121.06499	0.9
123.04427	0.8
131.04918	1.4
133.06563	0.8
135.04398	0.6
139.03891	0.5
145.06427	0.4
147.04401	1.1
149.05963	0.7
151.03868	1.5
157.06522	0.5
159.04381	0.6
161.05960	0.7
163.03915	2.5
165.05453	0.6
171.04410	0.8
173.05997	1.1
175.03857	1.9
177.05489	0.9
181.04944	2.2
185.05937	0.6
187.03850	1.6
187.07579	0.7
189.05437	1.9
191.03436	1.1
191.07068	0.6
193.04907	2.6
197.05896	0.6
199.04044	0.7
201.05524	1.2
203.03474	0.5
205.04912	4.4
213.05424	0.9
215.03503	0.6
215.07118	0.6
217.04939	4.6
219.02826	1.1
219.06502	2.1
221.04510	1.7
223.05934	1.5
225.05486	0.9
227.07091	0.6
229.05022	1.9
231.06540	1.8
233.04390	0.7
235.05898	3.3
239.07130	0.7
241.04942	1.3
243.06587	1.3
245.08110	0.8
247.05995	5.1
253.04883	1.0
255.06520	1.0
257.04401	0.5
259.05994	8.0
261.07504	0.6
267.06616	0.6
271.05960	3.5
273.07574	1.0
277.07028	1.8
279.06589	0.6
281.08051	0.5
283.05975	1.9
285.07541	1.1
287.05652	0.5
287.09021	1.2
289.07071	2.8
297.07401	0.6
299.05881	0.5
299.09152	1.8
301.06998	4.2
311.05911	0.5
311.09064	2.0
313.07077	3.3
317.10342	1.1
319.08099	1.2
323.09192	0.9
325.06964	2.5
327.08481	0.7
329.10104	3.6
341.10165	3.9
343.08163	1.5
347.09418	0.5
353.10144	6.1
355.08151	0.8
359.11255	0.6
361.09082	0.5
365.10037	4.2
367.08206	0.8
377.10156	1.9
383.11166	7.2
389.10074	1.4
391.11530	0.4
395.11203	8.0
407.11255	6.8
411.09760	0.5
413.12363	3.0
419.11151	5.7
425.12201	3.9
425.30612	0.5
431.13400	11.8
437.12308	0.8
443.13303	3.8
449.12415	6.6
450.12509	0.5
461.13043	4.5
467.13348	3.9
473.12177	1.2
479.13312	3.4
485.14307	3.6
491.13339	2.4
497.14340	6.1
509.14334	3.7
527.15381	2.8
545.16339	3.1
563.17383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37608	1.4
53.03923	3.1
55.01860	4.0
55.05500	18.2
57.03430	9.1
57.07060	5.0
58.98735	1.5
65.03925	3.5
67.05138	3.4
67.05498	63.3
69.03417	3.2
69.07059	25.5
71.04977	6.6
71.08624	12.8
71.81732	2.4
79.05482	46.2
79.05930	3.3
81.03420	7.3
81.07046	82.0
83.04977	13.0
83.08617	17.5
84.04485	6.2
85.06536	4.4
91.05473	30.3
93.07034	66.8
93.07476	1.5
95.04958	15.1
95.08600	34.3
97.06512	11.8
97.10153	2.8
99.08089	12.6
105.07014	21.8
107.04922	2.9
107.08585	40.6
109.06527	5.0
109.10147	13.3
111.08068	7.2
117.07013	12.9
119.08590	14.0
120.31786	1.4
121.06491	3.9
121.10137	24.1
122.10456	1.8
123.08086	3.6
123.11680	5.8
125.09591	4.0
129.06989	3.0
131.08569	16.0
133.10106	14.9
134.42023	1.5
135.08014	3.5
135.11688	13.7
137.09599	2.0
139.07574	1.9
139.11130	2.4
143.08578	2.2
145.10114	6.5
147.08105	1.9
147.11713	7.1
149.13248	28.2
151.07574	1.6
151.11163	14.6
157.10143	4.3
157.31216	1.6
159.08069	1.5
159.11711	15.3
161.13280	7.1
163.11148	10.0
163.12259	1.5
167.10692	1.6
171.11650	2.4
173.13223	1.8
175.11171	2.2
175.14848	4.1
177.12737	7.2
179.14343	3.2
183.11559	2.1
185.13315	2.2
189.11212	1.8
193.12253	2.6
195.12030	2.2
195.13770	13.0
198.76665	1.6
199.14813	1.9
204.18285	1.7
204.85843	1.5
211.13321	5.4
221.15303	1.9
223.09599	2.3
227.12668	3.0
241.19510	3.1
251.16344	1.7
258.64432	1.5
259.20505	6.6
269.17459	59.2
277.21640	10.5
285.16940	4.8
287.18680	2.1
333.24246	2.9
335.25754	6.1
344.19736	1.7
351.25296	18.4
367.24716	4.9
435.32162	2.3
445.29520	1.7
447.31134	3.2
463.30524	100.0
464.31107	2.8
487.33926	5.7
498.74860	1.6
527.37329	4.2
545.38361	30.4
563.39417	2.8
598.43573	2.0
599.39685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33018	3.8
51.79104	4.4
53.03942	5.4
55.05503	40.4
57.03428	19.6
57.07064	15.9
67.05495	93.8
68.60654	3.7
69.03416	9.5
69.07068	28.7
70.06567	4.9
70.15385	3.9
71.04980	6.9
71.08622	11.9
71.81073	7.3
76.01225	3.8
79.05476	84.2
81.03412	73.5
81.07047	100.0
83.04975	18.3
83.08608	37.0
84.04485	35.0
85.02885	24.7
85.06537	7.1
88.07631	9.6
91.05466	69.8
93.07037	92.5
95.04960	30.7
95.08594	56.9
97.02975	4.8
97.06532	12.9
97.10158	11.2
99.04452	4.4
102.09166	5.4
105.03402	4.9
105.07006	55.9
107.04948	10.2
107.08578	52.1
109.06512	12.8
109.10154	27.3
109.20174	4.8
111.04441	5.2
111.08081	15.1
117.07023	14.7
119.08553	43.4
121.10130	45.4
123.08076	8.1
123.11696	9.8
125.09599	8.3
127.03857	4.7
127.42062	4.1
129.06996	21.1
131.08568	36.0
133.10097	21.1
135.08122	6.6
135.11684	23.4
143.08560	10.5
145.10130	18.6
147.07993	7.7
147.11653	31.6
149.05978	14.4
149.09657	17.2
149.13280	14.5
151.11211	6.0
151.14719	5.0
153.12674	3.9
155.08569	8.0
157.10120	24.3
159.11714	12.9
161.13275	17.2
163.11211	6.3
163.14787	9.9
171.11621	4.8
173.13272	13.9
175.11182	9.6
178.55486	4.6
185.13261	5.5
193.04918	5.3
193.12233	49.5
201.16336	5.6
211.13274	53.7
227.12823	15.9
233.22729	5.6
243.21140	22.6
250.14456	5.0
258.93100	4.3
259.15311	6.3
261.22107	34.7
261.54211	4.8
267.15894	38.2
284.29428	7.1
285.16937	56.6
317.24750	10.5
335.25735	65.0
341.10184	17.5
351.25082	5.3
357.23965	4.5
358.17719	4.6
435.32645	12.0
439.26822	4.6
453.33698	13.7
517.38422	7.4
527.37177	61.4
535.35309	4.9
545.38379	90.9
580.40955	5.8
598.35803	21.7
599.39807	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	597.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51285	2.1
53.03935	3.3
55.01856	2.0
55.05494	6.3
57.03416	4.3
57.07066	13.4
65.03934	2.3
67.05487	20.7
69.03415	3.1
69.07059	28.3
71.04976	3.8
79.05476	18.5
81.03402	5.1
81.07041	56.0
83.01326	4.2
83.04990	4.6
83.08572	5.7
85.06502	4.3
87.86989	1.9
91.05462	22.6
93.07030	41.2
95.04928	5.6
95.08595	43.8
97.06502	3.2
98.21439	8.3
105.07016	42.4
107.04929	2.8
107.08575	45.1
109.06497	11.6
109.10144	28.2
110.10497	2.2
111.04429	2.4
111.11745	2.5
117.06989	7.3
119.08556	43.8
121.06470	9.4
121.10112	32.0
123.04343	4.0
123.08063	3.4
123.11680	22.4
124.97133	2.0
125.05928	2.1
125.09614	2.6
127.03885	2.6
129.07016	3.5
131.08548	11.1
133.10109	25.6
135.08057	10.8
135.11673	42.0
137.05957	6.1
137.13211	4.3
137.34930	1.9
139.11143	2.2
143.08562	5.4
145.10068	18.0
147.07980	2.8
147.11664	32.5
149.09601	5.3
149.13202	3.6
151.07492	2.4
153.05399	13.1
155.08522	2.8
157.10132	6.1
159.08067	3.5
159.11656	13.9
161.06064	2.5
161.09564	4.9
161.13255	13.7
163.07538	7.5
163.11180	11.0
163.14732	3.6
165.05432	36.4
165.09088	3.5
167.07047	11.1
169.10037	2.1
171.11812	2.2
173.09615	8.1
173.13232	4.7
175.07529	3.2
175.11197	3.4
175.14775	6.5
177.05449	8.6
177.09036	15.2
177.12729	4.7
180.09171	1.9
181.04918	2.7
183.11571	2.6
185.13042	2.5
187.07449	2.4
189.09216	2.6
189.16270	2.3
191.07050	3.4
191.10646	10.8
191.17757	2.7
193.12021	2.3
199.14801	4.0
201.09064	8.2
201.16403	11.3
203.07069	4.8
203.10536	3.0
203.14421	2.3
203.17931	35.4
205.08577	10.2
207.10182	6.8
217.08594	6.1
217.15912	3.4
219.10129	74.2
219.12163	4.5
219.17426	9.3
221.08029	3.8
221.11670	5.7
223.09608	9.1
225.11194	4.0
230.08681	2.8
233.11829	2.6
235.09549	3.7
237.11165	100.0
238.11557	3.3
243.10071	2.5
249.11041	3.5
257.11459	2.9
263.09064	2.8
267.15970	2.9
273.11307	2.2
273.14828	4.9
275.16342	3.3
285.14822	5.1
287.16422	13.1
299.16635	2.9
303.15829	3.3
325.18155	2.0
338.27707	2.6
341.20880	12.3
343.18982	5.7
343.22803	3.2
345.20483	4.7
355.22525	9.5
357.20529	5.0
359.22092	49.5
360.22452	2.4
361.19608	2.5
373.23773	13.3
377.23172	10.9
439.28217	6.4
457.29852	12.4
477.33484	2.5
495.34686	5.1
509.32806	4.2
543.34485	4.0
561.36005	9.3
579.39667	19.6
596.58643	3.0
597.40692	14.8
597.59692	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	597.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02539	1.2
55.01876	1.6
55.05519	2.4
57.07058	3.2
65.84339	1.2
67.05501	4.7
69.07059	6.4
69.53138	13.3
79.05477	4.5
81.07047	15.1
91.05479	6.1
93.07029	10.5
95.04928	1.3
95.08598	6.3
103.79589	1.7
105.07014	13.7
107.08582	8.6
109.06468	1.3
109.10155	8.2
117.07002	2.5
119.08562	14.9
121.06464	7.0
121.10143	5.2
123.11694	20.6
129.06973	2.2
131.08554	3.1
133.06479	3.1
133.10121	6.1
135.08049	10.7
135.11667	5.7
144.08862	1.6
145.10126	5.0
147.08057	3.7
147.11681	7.8
149.13274	1.5
151.03864	1.9
157.06508	2.2
159.11671	1.7
161.06024	9.3
161.13246	2.7
163.03929	3.9
165.05479	6.0
167.06984	1.8
175.07550	16.5
177.05476	1.8
185.06038	2.8
191.07059	1.8
195.06487	1.7
201.16400	5.0
201.57481	1.5
203.07007	78.9
203.17969	9.3
204.07320	1.9
205.08618	2.4
217.08598	2.6
219.10091	6.7
219.17474	2.1
221.08058	71.6
223.09673	5.4
228.09305	1.6
235.09645	2.2
237.11130	8.1
239.09116	2.7
261.54803	1.4
284.27756	1.4
325.17938	2.8
343.18979	100.0
344.19455	2.9
355.22568	2.3
357.20538	4.2
359.22147	5.4
361.20074	5.9
375.21609	1.6
389.23416	1.7
423.25211	29.6
457.25488	1.7
566.85413	1.6
579.39880	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	597.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35483	2.8
52.97349	3.0
53.94173	3.2
55.01860	6.7
57.03406	4.6
65.03922	3.4
69.03419	3.0
69.81953	22.9
70.80843	2.9
79.05463	2.9
80.10615	2.7
81.03397	7.9
83.01328	2.6
84.82679	2.8
85.02885	19.0
85.89214	3.2
93.03385	13.0
95.04964	4.4
97.02865	11.1
105.06935	3.8
107.04939	23.8
109.02863	10.6
111.04433	3.4
112.18357	2.9
115.05426	5.1
119.04916	10.5
121.02821	19.1
121.06480	9.0
123.04441	16.3
127.03833	3.2
131.04892	7.0
133.06456	3.9
135.04411	18.2
137.02348	3.7
139.03851	7.3
145.02821	3.6
145.06493	4.4
147.04352	21.6
147.36478	3.0
149.02324	7.9
151.03857	7.9
153.01772	5.2
159.04358	8.7
161.05930	9.0
163.03856	9.4
165.01807	9.9
173.02271	5.7
173.05946	7.8
175.00206	3.8
175.03911	7.1
177.01814	17.7
177.05479	10.2
183.02806	7.1
187.03902	8.1
189.01839	22.9
189.05324	5.0
191.03372	16.9
195.02884	45.7
197.05994	3.0
201.01823	4.7
201.05412	15.8
203.03363	8.5
205.01237	4.4
205.04910	7.5
207.02829	49.2
213.05583	3.1
215.03323	15.7
215.07054	3.5
217.04848	2.9
219.00862	6.1
219.02855	86.7
221.00940	3.2
221.04373	8.2
223.02403	14.3
225.03822	24.7
227.03270	7.0
229.04890	21.2
231.02852	50.5
233.04428	22.6
237.03896	22.2
241.04861	4.9
243.02832	31.8
243.06409	6.6
245.04359	8.5
247.06020	4.6
249.03899	17.8
255.02785	8.9
255.06653	3.5
257.04504	16.8
259.02289	6.5
259.06110	3.5
261.03903	100.0
261.06680	5.5
269.04498	6.0
271.02676	2.6
271.05942	11.7
273.01163	3.8
273.03922	42.6
275.05420	5.2
280.58640	3.1
281.04300	6.1
285.03906	47.3
287.05450	4.7
291.04959	21.7
295.06052	3.5
297.03842	18.7
297.07507	12.8
299.05466	13.1
303.04892	30.8
309.03824	8.6
309.07489	11.9
315.04941	4.9
321.05804	18.5
327.04892	41.0
327.08548	22.5
339.08023	39.0
345.06064	10.4
351.08752	17.6
357.05975	9.9
357.09875	4.7
363.07050	36.8
369.05942	5.6
375.07162	7.2
375.73151	3.1
381.09622	35.1
387.07037	13.4
393.09302	32.0
405.08371	36.2
411.10623	18.1
417.09677	10.8
423.10098	24.7
429.11771	39.7
441.10898	41.8
447.10681	24.6
459.12720	33.4
465.11734	12.2
477.11667	6.9
483.13104	15.0
489.11804	3.7
495.12729	18.7
507.12228	7.4
525.13586	13.6
543.14709	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	597.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56726	7.0
55.01862	6.3
57.03417	10.4
69.03392	8.2
69.96786	18.7
69.97210	24.5
71.04995	8.6
71.24461	6.0
81.03413	15.9
81.41588	6.4
85.02902	49.0
93.03404	14.4
97.02868	20.0
99.04435	9.1
103.03905	13.2
107.04961	24.0
109.02859	20.2
111.04379	11.4
119.04913	10.1
121.02845	25.8
121.06508	13.9
121.52786	6.5
123.04374	45.1
127.03900	32.1
131.04962	6.6
132.07381	6.6
135.04398	30.6
137.02377	13.7
139.03891	81.1
141.68680	5.5
145.04924	11.4
147.04358	34.1
149.02339	9.7
151.03893	13.3
159.04408	13.4
163.03925	39.2
165.01811	10.2
173.05919	12.3
175.03938	8.9
177.01852	15.8
177.05461	19.7
187.03946	12.7
189.01799	26.4
189.05461	7.0
191.03336	21.4
195.02925	45.8
197.01154	10.3
201.05368	9.4
203.03349	16.1
205.01402	9.7
205.04922	11.9
207.02826	31.1
215.03328	19.7
219.02855	99.6
219.06316	7.0
221.04370	9.9
223.02304	18.9
225.03978	23.7
227.03244	8.4
229.04976	26.1
231.02798	46.8
233.04413	17.9
237.00696	17.5
237.03970	24.0
243.02924	25.3
245.04384	13.9
245.16121	7.4
247.05969	16.5
249.03906	24.9
255.01947	18.4
257.04373	30.5
261.03937	100.0
269.04517	8.3
271.05966	24.1
273.03903	37.1
273.07428	9.3
285.03958	39.4
285.06927	8.2
289.06528	7.4
291.04950	22.5
297.03940	15.9
297.07516	21.5
299.05444	19.3
303.04990	57.9
309.07617	12.3
321.06073	15.7
323.05307	8.1
327.04971	46.2
327.08682	23.7
339.08093	21.8
345.06000	17.6
351.08627	11.9
363.07321	38.2
369.05853	11.2
381.09491	40.2
387.07028	15.2
393.09259	26.9
405.08453	44.2
407.07687	7.2
411.10876	10.7
423.10175	22.5
427.05997	10.0
429.11993	41.7
441.11008	47.3
447.10657	28.6
451.11838	16.0
459.12701	45.4
465.11752	11.3
477.12088	10.0
483.12549	13.9
495.12973	15.5
507.12384	7.2
525.13934	17.0
543.14655	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01867	1.7
55.05489	1.5
57.03431	13.7
59.80167	1.0
68.99777	2.3
69.03059	2.1
69.03423	38.2
70.29073	5.9
71.01305	1.3
71.04983	88.8
73.02901	3.6
75.04460	3.2
80.77003	1.1
81.03385	1.2
83.04983	7.2
83.07055	1.2
85.02893	100.0
87.04463	2.7
93.03352	1.7
95.04959	3.0
98.21444	1.8
99.04423	3.1
107.04929	3.4
109.02892	2.2
111.04433	11.6
117.05460	2.3
121.02794	2.0
123.04408	44.7
125.05978	2.0
127.03883	3.0
129.05466	30.1
135.04404	14.2
137.02353	3.0
137.06044	1.3
139.03876	2.5
147.04460	2.6
147.06496	6.5
149.02319	4.8
151.03853	3.0
153.01833	8.1
153.05438	1.8
157.06502	1.5
161.02298	2.5
161.05998	2.0
163.03883	5.0
163.06024	2.7
165.01820	10.2
171.04298	1.3
173.02328	5.2
173.05956	1.5
175.03810	1.8
177.01834	7.0
177.05434	4.0
179.03392	3.7
181.06497	1.9
183.02849	6.6
187.03848	2.0
189.01825	2.6
189.05513	1.4
191.03403	9.5
193.04840	1.7
195.02872	23.4
197.05971	1.5
201.05452	1.4
203.03368	6.2
207.02847	3.2
209.05849	1.5
213.05562	1.3
215.03339	3.7
217.04980	3.1
219.02879	12.7
219.06540	1.8
221.04369	3.3
227.07019	3.0
229.04953	2.3
231.02977	1.6
231.06503	4.7
233.04330	1.7
237.03946	4.4
241.04933	1.4
241.08513	1.3
243.06451	1.3
245.04446	11.1
249.03731	1.7
255.06554	7.3
257.04401	4.3
258.05389	1.6
259.05978	3.5
261.03851	5.1
263.05432	11.7
269.04465	2.1
269.07935	1.3
271.06000	4.2
271.96704	1.3
273.07474	4.8
275.05405	1.5
281.06458	4.5
283.05981	9.4
285.04056	2.8
285.07361	1.5
287.05487	10.5
289.06506	1.7
297.07455	5.5
299.05118	1.9
299.07904	2.2
301.06949	9.1
305.06534	18.9
311.05478	10.1
315.05008	1.5
317.06613	2.2
323.07587	6.6
325.07010	4.4
329.06531	13.9
337.07111	1.4
347.07535	23.1
351.08618	2.1
353.06393	2.7
369.09586	4.1
371.07562	15.6
373.09314	5.5
383.07352	1.5
391.10272	15.9
397.09128	8.9
409.11276	9.9
415.10153	26.4
421.09036	1.9
433.11246	17.0
439.10135	3.1
447.78326	1.4
451.12253	27.3
452.12518	1.9
457.11084	3.9
463.10651	1.4
475.12085	2.0
481.11099	1.7
499.12469	1.5
507.12598	2.3
543.14349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1444
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.03932	0.2
55.01862	0.9
57.03429	2.3
58.24302	0.1
59.04973	0.2
61.02916	2.0
66.17278	0.2
68.99789	0.3
69.03423	3.8
69.56021	1.7
71.01332	0.6
71.04472	0.1
71.04976	0.3
73.02908	10.2
76.38593	0.2
81.03407	1.1
85.02898	7.5
87.04452	0.4
91.03922	0.4
93.03412	0.2
95.04969	0.5
97.02881	4.7
99.04436	0.3
105.07001	0.2
109.02872	1.1
111.00784	0.6
115.03909	2.8
119.09368	0.2
121.02802	0.9
123.04456	0.4
127.03938	2.0
133.04944	2.1
137.02324	2.3
145.04936	1.9
149.02286	0.3
153.01810	3.1
157.17027	0.2
163.03880	0.5
163.05978	0.3
165.01819	1.6
166.02544	0.2
173.05870	0.2
177.01990	0.2
183.02855	0.7
191.06950	0.2
201.05495	1.3
205.05128	0.2
219.06551	0.3
224.97810	0.2
229.04924	3.2
247.06041	0.7
249.54066	0.2
257.04398	2.2
274.04758	0.8
275.05414	0.2
285.04022	1.0
303.04956	100.0
304.05243	1.3
315.34341	0.2
345.05972	0.2
435.08759	0.2
465.10046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18894	4.3
53.03905	5.6
55.05500	27.3
57.03421	15.3
59.86761	4.9
67.05496	59.8
69.03405	6.8
69.07052	28.7
71.04961	5.8
71.08623	31.5
71.81403	5.8
71.81783	7.5
79.05484	68.4
81.03407	46.9
81.07052	67.9
83.04965	19.9
83.08625	26.5
83.87083	4.4
85.02913	25.5
87.30075	5.1
91.05470	64.7
93.06499	7.9
93.07031	76.9
95.04959	27.5
95.05441	4.1
95.08601	54.5
97.06491	13.9
99.08095	16.7
105.07003	49.1
107.04929	7.1
107.08564	36.1
109.06527	10.0
109.10148	27.2
111.08059	8.7
119.08587	35.2
121.10130	43.0
123.11677	6.4
129.06979	7.3
131.08546	17.9
133.04648	4.9
133.10118	30.3
135.11682	29.8
145.10123	10.7
147.11678	17.3
149.09573	11.7
149.13162	8.3
151.11192	14.3
157.10121	15.0
161.13220	19.3
163.11134	10.0
175.11128	13.3
179.14299	81.9
193.12222	22.6
205.42719	5.6
211.13269	40.8
264.10916	5.1
267.15854	31.0
277.21567	76.1
285.16977	98.6
295.22665	6.4
351.25330	40.2
463.30615	7.2
543.36829	61.3
561.37805	100.0
596.38995	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	596.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01597	0.9
55.01863	17.8
56.05011	1.2
61.68743	0.4
65.03926	2.0
67.05492	0.5
68.86733	0.5
68.99776	1.5
69.03412	0.9
69.98157	3.0
70.02936	0.6
74.00648	2.2
74.09727	0.4
76.02206	1.4
76.03987	2.4
81.03401	1.2
83.04955	0.8
83.06089	8.2
84.04495	28.9
88.94501	0.4
91.05490	0.5
93.03409	0.9
95.04945	1.5
97.02895	0.7
98.20766	0.6
99.02676	3.3
99.04453	0.5
99.05546	1.8
102.05484	0.5
107.04956	0.6
107.06081	0.7
109.07613	0.7
111.04423	2.7
112.03951	21.6
123.02648	0.7
123.04409	1.6
127.02122	15.2
128.03394	0.7
129.06587	16.6
129.76555	0.5
130.04987	90.3
135.02634	8.1
135.04420	0.6
136.03996	0.4
137.02321	0.5
139.03883	67.7
142.03297	0.5
145.06082	1.6
147.02643	0.6
147.04367	0.9
147.07616	1.9
148.05194	0.8
149.00542	1.3
151.02081	2.0
151.03891	3.4
153.00031	0.9
153.03716	1.3
153.05473	0.5
153.06569	1.1
155.01593	30.3
155.08156	0.8
161.00534	1.2
162.02171	0.9
163.02124	13.3
163.03889	23.0
165.00046	2.0
165.01393	0.5
165.05453	1.5
167.01613	1.5
175.02139	2.5
177.03346	0.8
178.03209	1.7
179.01601	22.0
179.03210	1.1
179.04863	1.0
181.03227	5.1
181.04779	1.1
181.06116	1.4
183.01097	46.9
189.00041	3.4
191.01607	13.1
193.03139	0.5
193.38184	0.7
195.01112	1.6
196.04276	3.6
199.07127	1.5
203.01598	7.6
207.01089	2.2
208.04271	3.8
209.02646	17.4
217.03206	0.6
218.02684	0.9
219.01132	1.9
220.04266	0.7
221.02592	1.0
226.05295	4.8
236.03693	1.5
237.02092	2.7
241.04935	1.5
242.05675	3.8
243.06357	0.5
257.02628	1.3
257.07962	0.7
262.05417	0.9
269.04428	0.8
270.05197	4.4
275.03757	1.3
281.05814	2.6
282.04279	13.2
287.05594	1.7
288.05853	3.5
292.06250	0.9
299.07007	2.2
303.02963	18.0
311.03497	0.6
311.06812	0.7
312.05338	11.4
320.05908	0.6
321.04123	1.0
329.04889	3.6
329.07983	100.0
330.08231	1.3
341.08026	0.9
346.07272	2.3
347.05878	3.0
353.07819	0.8
357.04327	1.4
364.08560	0.8
365.08017	1.5
383.09058	13.4
390.95367	0.5
395.09088	0.9
432.07504	4.1
440.11218	2.1
441.10193	0.7
449.10068	8.8
458.12241	69.2
459.12268	0.6
467.11118	4.8
503.11209	4.3
515.11224	0.7
521.12286	15.9
522.72034	0.5
578.14069	1.6
596.15375	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.5
56.05027	1.1
60.31030	1.0
65.03938	1.1
68.03619	1.0
68.99773	1.2
69.86727	5.4
70.02942	3.6
74.00658	2.8
74.02431	1.3
76.03986	1.5
83.06091	10.6
84.04491	23.6
99.05575	3.5
100.03923	1.1
107.04971	1.9
109.07619	2.6
111.04426	4.5
112.03935	11.6
116.01677	1.9
117.06597	1.3
119.04924	2.8
121.01037	2.4
123.02621	1.6
123.04442	2.6
125.07112	0.9
127.03968	1.0
129.06583	19.0
130.04985	43.7
135.02623	2.4
135.04391	1.4
136.02246	1.5
137.00568	1.6
139.03882	76.2
141.00079	2.0
145.06053	14.1
147.04401	4.6
148.05188	9.4
149.00523	10.7
149.02364	1.2
151.02138	3.3
151.03899	1.2
153.00069	1.2
153.03676	5.4
153.06566	6.6
154.36639	1.0
155.01591	29.8
155.08130	4.8
160.00568	1.1
161.05954	1.2
162.02405	1.4
162.03749	4.2
162.05463	7.0
163.02145	12.0
163.03896	30.5
163.06090	1.3
164.01628	1.8
165.00067	5.3
166.00836	1.0
167.01567	8.0
175.06268	4.9
177.03316	1.0
179.01593	19.1
181.03160	26.3
181.06012	2.1
182.02638	6.1
183.01146	4.1
184.04324	3.7
186.06351	1.0
187.05316	1.1
190.03186	5.5
191.01610	3.1
193.03192	1.4
194.02667	1.3
195.01045	1.4
196.04247	7.1
199.07095	6.5
203.01608	1.1
207.01103	2.5
207.03481	1.3
208.04245	31.2
209.02704	8.0
217.03114	1.0
219.01128	2.8
220.04295	2.5
226.05389	7.2
229.03186	2.6
233.02620	1.6
236.03722	2.1
245.02357	1.4
245.20193	0.9
245.95520	1.0
253.04878	1.2
257.02609	9.9
265.06430	1.7
266.04736	1.2
270.05045	7.1
282.04254	6.3
284.01013	1.0
285.02124	6.8
286.03036	1.0
287.06833	4.2
288.00925	1.7
288.05823	3.9
296.06668	2.1
299.06918	30.9
303.03168	100.0
304.03348	1.6
311.06921	98.0
312.05338	4.0
321.04059	1.4
329.04630	5.1
329.07983	30.1
337.08160	1.0
346.07495	2.9
353.08035	2.7
355.43408	1.0
364.08459	2.2
365.08014	1.7
383.09000	21.6
440.11478	2.2
449.10107	33.2
458.12225	52.8
467.10989	3.7
469.95676	1.1
503.11115	16.1
521.12146	18.9
578.14203	3.6
596.15460	5.0
598.82367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05781	2.4
55.05502	10.4
57.07069	27.1
59.91575	2.2
67.05494	26.1
69.03423	3.5
69.07053	26.5
69.27752	2.5
71.04990	2.9
79.05499	20.1
79.42471	2.0
81.07039	60.6
83.01337	3.5
83.08604	6.7
91.05467	23.6
93.07042	39.1
95.04961	5.6
95.08591	56.1
105.07018	35.1
107.08582	51.8
109.06521	5.7
109.10148	51.2
111.11684	3.7
116.18241	2.5
117.06975	15.4
119.08573	33.3
121.06506	2.6
121.10117	34.7
123.08035	4.3
123.11676	30.5
127.11185	3.3
130.07854	2.8
131.08546	28.7
133.10143	21.8
135.08109	2.6
135.11674	38.3
137.05943	2.6
137.13240	7.9
142.07777	2.9
143.08545	5.7
145.10106	70.5
146.10735	3.0
147.11670	14.0
149.09647	4.3
149.13237	6.5
153.05461	14.2
157.10138	8.6
159.11658	39.2
161.09657	3.2
161.13272	8.9
163.07591	4.1
163.11183	11.6
163.14882	2.7
165.05463	18.4
167.06985	5.9
173.09534	3.6
173.13234	11.5
175.11194	3.7
175.14859	12.5
175.16273	2.6
177.09131	9.3
177.16380	8.2
187.14836	3.6
189.16418	5.0
191.07028	5.0
191.17929	20.5
199.14815	9.0
201.09206	3.1
201.16373	81.5
203.07036	2.8
203.17935	19.0
205.08675	3.1
215.10667	3.3
217.08676	7.3
219.10165	30.7
219.17401	54.8
235.09590	3.6
237.11186	48.1
287.16339	9.1
353.21164	8.1
357.20654	8.4
359.22061	18.1
359.29138	2.7
371.22122	11.2
375.21692	2.6
377.23065	4.2
419.25897	4.4
437.26733	10.3
455.21454	5.2
455.27881	100.0
475.32053	7.0
511.33862	3.7
559.37817	8.3
577.38794	89.4
578.39392	3.2
595.39911	17.5
595.58722	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
55.01846	0.1
59.14831	0.1
59.41095	0.1
65.37220	0.1
68.99769	0.2
69.03378	0.1
76.08287	0.1
79.75520	0.1
81.03343	0.1
85.02860	0.3
85.23684	0.1
97.02856	0.1
99.04385	0.1
103.03908	0.3
109.02809	0.1
118.97616	0.1
120.04449	0.2
121.02823	0.3
123.04388	0.3
127.03896	2.5
130.04964	0.1
137.02324	1.8
137.03336	0.1
139.03854	0.2
143.04897	0.1
144.08070	0.1
145.04959	0.2
147.04375	0.2
149.02284	0.4
150.96823	0.1
151.03877	0.1
157.06418	0.2
161.05937	0.3
163.03835	0.1
163.05919	0.1
165.01747	0.1
171.04343	0.2
175.03795	0.2
177.85968	0.1
185.05991	0.6
189.05405	0.4
193.04990	0.2
199.03859	0.1
203.07042	0.1
213.05426	1.7
216.04205	0.2
229.04857	0.1
231.06525	0.5
241.04851	1.0
242.05676	0.2
258.05298	0.2
259.05994	0.3
269.04416	0.3
287.05447	100.0
288.05783	0.9
433.11307	0.4
449.10776	2.1
595.16473	5.4
620.06116	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	595.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.01846	4.1
55.05498	13.7
57.07064	36.7
65.03917	5.2
67.05503	29.9
69.07066	47.4
71.04991	5.3
71.81686	4.0
71.82117	4.4
77.66174	3.4
78.64630	4.1
79.05481	38.3
81.03409	3.4
81.07049	100.0
82.07401	3.4
83.04963	8.4
83.08617	10.3
85.06540	9.7
88.07619	5.0
91.05463	31.0
93.07036	73.8
95.04973	9.4
95.08595	64.4
97.06514	4.0
97.10177	5.9
97.71403	3.7
105.07019	56.3
107.08577	92.6
109.06488	11.3
109.10140	42.5
111.08100	4.1
117.07009	13.4
119.08578	42.4
121.06483	7.0
121.10124	55.7
123.08069	9.0
123.11687	48.4
125.09602	21.3
127.11175	3.9
129.06975	6.2
131.08531	25.2
133.10115	26.8
135.08037	10.8
135.11665	52.0
137.09648	5.4
137.13237	23.6
140.71519	3.9
143.08534	8.9
145.10114	30.3
147.11665	21.5
149.09595	6.8
149.13266	7.7
153.05467	12.9
157.10112	9.7
159.11659	24.8
161.09641	4.9
161.13269	9.0
163.07526	8.4
163.11177	19.2
163.14818	40.0
165.05490	21.1
167.07042	8.9
169.04977	5.0
169.10074	4.6
173.09697	6.1
173.13257	10.4
175.07626	4.0
175.11212	5.0
175.14796	9.6
177.05457	4.5
177.09123	12.5
177.12773	6.6
177.16368	5.3
179.06944	3.7
181.15881	32.4
187.07474	3.8
189.05559	6.8
189.09109	7.4
189.16394	5.1
191.06990	10.8
191.10667	6.6
199.14784	6.5
201.16356	40.2
203.07108	7.2
203.17972	20.0
205.08606	10.5
213.12825	6.5
215.14441	3.8
217.08586	15.1
217.15874	9.8
219.10161	39.6
219.17378	25.2
221.07927	4.3
223.09636	7.5
231.10262	4.4
235.09639	11.9
237.11189	60.9
243.10204	4.9
257.11664	5.6
259.13284	14.8
265.74902	4.2
265.77753	3.9
267.16110	4.0
285.14987	4.4
287.12921	6.2
287.16309	6.1
299.16360	4.6
303.15985	6.9
325.17755	5.4
337.27399	6.3
339.19449	14.7
341.21051	8.0
353.20898	4.6
357.20587	39.2
359.22211	26.0
371.22125	7.3
375.21609	8.3
379.22638	4.7
381.24127	6.4
389.23315	7.7
397.23691	6.7
423.24890	5.6
425.27002	9.7
437.26947	7.8
441.26312	8.1
455.28015	29.7
459.27109	7.8
493.32837	11.5
507.30450	5.0
511.34271	7.1
535.26007	6.1
559.37500	13.3
577.38837	47.6
578.37976	5.8
595.27789	15.8
595.39252	28.9
595.58459	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	595.1651
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.61676	0.1
53.03926	0.2
55.01841	0.2
57.02126	0.2
57.03193	0.2
57.03433	1.6
61.02904	0.5
68.99791	0.2
69.03430	1.0
69.48179	1.4
71.04985	9.4
73.02888	0.3
75.04445	0.6
81.03382	0.5
82.18388	0.1
83.04977	0.5
85.02898	12.5
85.31654	0.1
87.04453	0.2
91.03973	0.2
97.02877	1.2
99.04414	0.4
106.13390	0.2
107.04923	0.3
109.02866	0.5
111.00780	0.5
111.04412	0.3
121.02843	1.4
127.03938	0.8
127.81803	0.2
129.05467	3.0
133.02821	0.2
137.02293	0.4
145.04947	0.5
147.04335	0.3
147.06531	0.9
153.01804	2.5
157.06494	0.4
165.01842	1.3
179.78268	0.2
183.02846	0.7
185.05923	0.4
213.05469	1.0
231.06532	0.4
241.04881	0.8
258.05225	0.6
259.06055	0.3
270.05594	0.2
287.05466	100.0
288.05792	1.6
449.10721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
53.03934	1.2
55.05490	2.5
57.03430	10.3
57.05045	0.8
68.99786	0.8
69.03418	8.2
70.06556	3.7
70.06969	1.7
71.01350	1.5
71.04983	64.5
73.02905	13.3
75.04479	3.9
81.03397	1.1
83.04513	1.1
83.04972	12.6
85.02893	72.1
87.04449	2.3
95.04992	2.0
95.80753	0.7
97.06506	1.2
99.04469	4.4
101.05994	1.5
109.02842	1.3
111.00789	0.9
111.04427	8.6
113.06037	1.7
117.05476	9.1
118.07410	0.9
121.02898	0.8
121.06548	0.8
123.04465	1.2
124.02816	0.9
127.03896	2.9
129.05455	24.1
129.06422	1.2
137.02335	6.7
137.05907	1.0
147.06528	6.4
153.01823	2.5
153.05452	3.8
163.03940	1.4
163.06003	12.5
165.01784	2.0
169.02132	0.8
171.06508	1.5
173.91177	0.7
183.06561	1.4
201.07448	0.8
229.04915	3.8
239.09248	3.2
257.04446	3.2
275.11533	0.9
285.03748	0.9
287.05515	3.2
299.05383	0.9
302.04221	1.4
303.04956	100.0
304.05212	1.7
315.04907	8.3
316.05847	1.1
326.98532	0.8
327.04929	2.2
341.06433	2.1
345.05997	18.5
353.06821	1.1
367.08072	1.7
369.05978	5.5
395.07568	4.6
413.08633	10.9
431.09689	6.6
449.10724	20.8
595.16949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
54.20876	0.7
55.01857	3.5
55.05505	14.7
57.03429	9.4
66.03265	0.8
67.05498	21.5
69.03413	3.3
69.07063	4.9
70.14758	4.5
70.15170	2.2
71.04973	4.1
79.05487	22.4
79.07162	0.9
81.03410	48.7
81.07047	22.6
82.03722	1.3
82.07386	1.0
83.04969	4.3
83.08611	16.9
85.02915	1.7
85.06535	2.3
87.04436	1.0
91.05473	17.2
93.07035	18.8
95.04955	22.3
95.08602	9.2
97.02876	2.5
97.06513	3.5
97.09565	1.9
97.10148	15.3
99.08080	1.0
103.06409	0.8
105.07015	12.7
106.07355	1.2
107.04961	11.0
107.08586	10.8
109.06528	8.2
109.10133	7.9
111.04435	1.9
111.08071	4.1
115.05398	1.4
117.06989	6.0
119.04935	1.8
119.08566	11.4
121.06507	10.0
121.10132	9.5
123.04405	1.1
123.08083	4.4
123.11697	2.2
125.06034	1.0
125.09615	14.5
129.07002	6.9
131.04863	1.5
131.08562	11.1
133.06482	3.8
133.10106	5.5
135.08046	5.4
135.11684	2.4
137.09615	2.4
141.06993	1.1
142.07799	1.9
143.08575	2.9
145.06462	5.0
145.10130	4.1
147.04388	1.3
147.07982	5.4
147.11679	5.8
149.09612	4.3
153.09077	1.5
153.12764	1.2
155.08545	3.0
157.10132	8.4
159.08037	1.3
159.11700	1.9
161.09601	1.5
163.11163	3.8
165.12755	1.5
171.07997	1.7
171.11665	2.0
173.09709	1.6
173.13188	1.5
175.11156	6.4
177.12712	1.4
183.08025	1.4
185.09607	1.1
185.13097	1.3
189.09029	1.1
189.11224	5.3
189.12711	1.6
191.14352	1.4
193.12228	14.4
195.11687	1.2
197.09570	1.4
197.13304	2.5
199.11198	2.1
199.13353	1.0
205.12161	1.6
209.13307	1.0
211.11247	1.0
211.13246	2.1
213.12782	2.0
215.14302	1.8
219.13811	3.1
223.13240	1.9
225.12724	1.4
227.12694	2.6
228.42726	1.0
231.13840	1.3
233.15370	5.9
237.12813	1.1
249.14908	1.9
251.31320	1.0
267.15878	35.0
268.16138	1.8
269.04333	3.0
269.15100	1.0
273.14810	5.3
287.05463	30.2
293.17383	2.3
339.23187	2.3
349.21585	5.0
357.24139	1.9
366.22934	1.0
367.22757	14.7
385.23703	24.0
386.23795	1.3
403.24802	8.3
405.24115	1.4
441.26257	10.7
459.27405	100.0
460.27914	5.5
477.28439	85.8
478.28851	2.3
491.29929	10.7
509.30914	3.8
541.33795	1.8
566.88147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18032	0.3
58.41925	0.3
69.83525	2.9
71.79072	0.3
89.86312	0.4
93.26031	0.4
141.36938	0.3
200.06165	0.4
211.12379	0.4
279.43188	0.4
360.65182	0.4
388.17017	0.5
389.17575	0.8
390.18997	0.5
402.18317	0.8
403.19138	1.6
404.19913	0.6
405.20844	1.4
409.25208	0.4
417.21356	2.8
418.21811	1.8
419.22235	2.7
430.17612	1.0
431.18192	6.0
432.19308	1.6
433.24103	5.6
434.24619	1.3
445.19830	7.4
446.20581	2.7
447.21613	3.5
458.21378	0.6
459.21396	2.9
460.22464	7.8
461.23199	7.8
462.23950	0.7
473.23169	1.5
474.24081	0.5
476.25769	0.7
477.22485	0.9
487.24820	0.4
491.24530	0.6
492.25076	0.7
505.21954	2.3
518.22974	0.5
519.23523	0.6
533.25397	30.1
534.25800	3.0
538.20703	0.5
547.27283	0.5
565.28174	0.9
593.27509	100.0
594.27686	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	593.2749
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.23696	0.3
54.93755	0.3
57.40231	0.3
63.60251	0.3
70.32446	2.0
70.94038	0.4
86.85674	0.4
98.20747	0.5
107.52405	0.3
110.66163	0.3
139.32288	0.3
153.70366	0.3
234.73602	0.3
388.16690	0.4
389.17477	0.6
399.17496	0.4
402.18292	0.8
403.19049	1.8
404.19586	0.6
405.20621	2.0
416.20413	0.8
417.16275	0.8
417.21414	3.0
418.21408	1.5
419.22241	3.9
430.17743	0.7
431.18195	7.2
431.24054	0.6
432.18549	1.8
433.24097	5.4
434.24619	1.2
445.19931	9.0
446.20700	4.0
447.21536	4.3
449.23730	0.6
459.21344	3.5
460.22485	8.7
461.23288	7.6
462.23947	0.4
473.24054	1.7
474.23880	0.8
476.25806	0.7
487.25095	0.8
489.26807	0.7
491.24307	0.7
492.25171	1.0
505.21957	5.4
515.24750	0.5
519.23932	0.8
533.25433	21.9
534.25787	0.7
564.23218	0.7
593.27509	100.0
594.27856	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	593.1496
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
52.89003	0.2
53.03941	1.8
55.05495	0.9
56.70612	0.2
57.03409	0.7
58.04338	0.3
61.02900	0.8
67.05492	0.3
67.75161	0.3
68.99776	0.5
69.03091	0.4
69.03420	5.0
69.90336	0.5
69.90757	1.5
71.04977	1.3
73.02919	1.3
79.05467	0.3
81.03411	5.5
81.07040	0.5
83.04965	0.8
85.02895	13.3
86.09695	0.7
91.03954	0.3
91.44591	0.3
92.43273	0.3
95.04952	0.7
95.08615	0.3
97.02882	8.9
99.04444	8.7
100.11213	0.3
101.05990	0.8
103.03930	9.0
105.07020	0.3
107.04900	0.6
109.02865	5.6
111.00781	0.4
111.04447	1.3
121.02834	2.0
123.04402	1.2
125.78942	0.3
127.03903	18.6
129.05435	0.9
133.02768	0.5
137.02339	1.4
139.03882	1.2
145.04936	8.2
147.04378	0.6
147.06500	0.6
151.03857	1.0
153.01816	3.3
161.05981	0.3
163.03827	0.6
163.05913	1.4
165.01837	1.5
167.07065	0.4
175.03824	0.4
181.05014	0.3
183.02869	0.8
185.05942	0.8
187.05959	1.8
199.06020	0.3
213.05432	1.2
229.04877	0.4
231.06517	0.6
241.04863	0.7
245.04422	0.3
246.91748	0.3
254.46667	0.3
258.05255	1.0
259.06073	0.6
271.08124	0.8
285.03940	0.8
287.05463	100.0
288.05856	2.2
289.06616	0.4
299.05557	0.3
303.04950	7.3
303.08044	0.3
311.05453	0.6
316.21069	0.5
329.06522	2.1
350.54535	0.3
353.06372	0.5
355.07684	0.6
367.92816	0.3
395.07550	0.5
431.09555	0.3
441.11490	0.3
593.43427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
55.22763	0.5
57.03423	0.8
57.07045	0.9
64.22422	0.5
65.62597	0.6
67.05490	4.9
69.03416	1.1
69.07062	3.2
71.04975	5.9
71.81216	0.7
79.05489	3.8
81.03391	1.3
81.07040	4.7
83.04967	2.2
83.08604	0.9
84.08132	2.6
86.81394	0.7
91.05445	3.9
93.07032	3.8
95.04947	1.6
95.08595	4.5
97.06509	0.6
99.04446	1.2
105.06335	1.3
105.07016	19.0
107.04961	0.9
107.08578	5.3
109.06483	1.9
109.10151	2.0
111.04462	3.0
111.08050	0.7
113.05976	1.6
117.06989	1.9
119.08563	3.1
121.06483	1.3
121.10123	3.7
122.10467	0.8
123.04415	1.7
123.08030	1.7
127.03902	1.6
127.11246	0.7
129.05440	1.2
129.06967	1.0
130.07765	0.8
130.08633	3.8
130.15916	1.3
131.08534	2.3
133.10104	2.2
135.08038	0.6
135.11676	1.1
137.06041	1.0
139.07523	0.9
143.08527	1.2
145.10120	14.0
147.11693	3.8
149.05922	2.7
149.09631	0.8
151.07529	4.3
151.11185	1.1
155.08536	0.9
157.10094	1.8
159.08084	0.7
159.11673	1.8
163.11166	1.6
169.08607	8.8
171.08017	1.3
171.11661	0.9
173.09578	5.0
173.13293	0.6
175.07538	0.7
175.11154	1.7
181.08542	3.7
183.11740	0.7
185.13240	1.1
189.12656	0.7
191.10632	14.6
193.08585	2.7
195.10135	3.7
197.13272	1.7
201.09082	1.8
201.14806	1.9
203.10577	0.7
207.10033	0.6
209.09972	0.6
209.11597	3.5
211.11157	0.8
213.12791	1.0
214.13336	0.6
215.14330	1.6
219.09969	0.6
221.11612	0.9
225.12802	1.2
227.10645	0.8
227.14423	0.9
229.12271	1.7
239.09048	3.2
241.12215	0.7
243.13734	8.1
245.15308	0.9
258.12405	0.9
259.13504	0.7
261.14917	1.2
271.13202	6.8
272.14020	1.2
273.14749	0.9
299.16092	2.6
313.17914	24.1
314.18515	1.6
315.19501	28.1
316.19977	0.8
329.21115	1.3
331.19058	2.0
337.17834	1.4
341.17508	2.0
355.18854	1.6
359.18475	57.7
360.18787	1.4
377.19540	100.0
378.19839	2.2
383.18567	1.3
395.27786	2.1
401.19760	1.3
445.25552	1.5
471.23724	1.5
477.30542	0.7
511.99957	0.6
539.29907	0.7
574.33765	0.7
593.33044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.6
62.31831	0.2
68.05015	0.5
68.99787	0.5
69.03446	0.3
69.81719	1.3
69.82132	0.3
70.06586	9.0
79.05480	0.3
81.03414	0.4
81.07035	0.4
84.04480	0.6
85.02912	0.6
88.40725	0.2
91.05472	0.8
93.07018	0.4
93.42583	0.2
94.06541	0.2
95.04936	0.3
96.04481	37.3
97.04806	0.4
103.05450	0.6
107.04936	0.7
114.05515	100.0
115.05854	0.8
119.04933	1.3
121.06503	1.7
122.06034	1.5
123.04414	12.4
124.04739	0.3
131.04942	0.4
135.04420	1.6
136.07559	0.6
137.06010	0.4
139.03903	0.3
145.06374	0.3
147.04395	5.9
149.05977	3.9
151.03886	0.3
153.01817	0.4
159.04436	0.5
161.06006	0.6
162.05351	0.2
163.04004	0.3
165.05464	4.7
173.06041	0.4
175.03926	0.2
175.07512	0.4
177.05449	56.6
178.05803	1.5
189.05458	0.4
191.89870	0.3
207.06476	1.2
216.10178	0.9
219.06575	0.3
234.11263	0.9
242.08162	0.4
245.04408	0.3
260.09122	2.0
278.10184	1.1
311.09030	0.3
329.10156	18.6
330.10464	0.7
386.15918	0.7
412.13837	5.9
413.14450	0.3
430.14935	56.7
431.15289	2.4
439.06793	0.3
440.06744	0.9
451.06949	0.2
452.07013	0.4
461.26654	0.2
574.19458	0.4
592.19519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.5
58.06585	0.4
68.99784	0.8
69.03433	0.4
70.06219	0.6
70.06585	9.3
70.10715	0.3
79.05492	0.3
81.03378	0.5
81.07061	0.4
84.04504	0.5
85.02895	0.5
91.05464	0.9
93.07053	0.7
95.04943	0.5
96.04480	35.0
97.04767	0.3
98.06059	0.3
99.74252	0.3
101.41039	0.3
105.05698	0.3
105.07046	0.4
107.04925	0.7
114.05515	100.0
115.05862	1.0
119.04933	1.7
121.06475	1.5
122.06010	1.1
123.04417	11.3
124.04843	0.4
126.82098	0.4
135.04391	1.5
136.07608	0.7
137.05948	0.5
139.03908	0.4
147.04393	6.2
147.05569	0.4
149.05974	3.7
159.04398	0.7
161.06026	1.0
163.03949	0.4
165.05486	5.3
165.61884	0.3
166.05852	0.3
177.05449	56.0
178.05838	0.9
179.03529	0.5
189.05530	0.4
207.06511	1.1
216.10173	0.6
234.11334	0.6
260.09143	2.2
278.10214	0.8
329.10153	18.1
330.10458	0.6
386.15820	1.0
412.13824	7.1
413.14371	0.4
430.14941	53.8
431.15515	1.7
440.06967	0.8
452.06552	0.5
548.20764	0.3
592.20258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08183	1.2
53.03925	2.5
55.05497	11.2
57.03425	10.6
57.07064	34.0
60.96103	1.1
65.03914	1.2
65.11975	1.4
67.05492	51.3
69.07057	14.9
69.69069	8.3
69.69485	2.6
70.42009	1.1
71.04980	1.4
71.08620	24.3
71.92072	1.1
79.05477	26.4
81.07045	58.1
83.08606	11.8
85.06544	2.0
85.10169	13.8
91.05467	12.2
93.07033	37.1
95.04923	2.3
95.08588	53.0
97.06505	1.8
97.10168	5.6
98.32685	1.1
99.08083	2.5
105.07013	10.8
107.08575	26.9
109.06437	1.4
109.10143	25.6
111.11665	1.3
117.07003	6.6
119.08564	9.1
121.10124	19.4
123.11667	10.6
127.37575	1.1
131.08543	10.4
132.11015	1.1
133.10104	10.0
135.11681	17.3
137.13219	4.6
145.10091	8.0
147.11690	5.6
149.13231	13.4
151.14761	1.7
159.11676	8.3
161.13177	5.7
163.14845	7.2
165.16360	1.1
173.13213	9.0
175.14786	3.0
177.16354	2.9
187.14793	5.1
233.22621	2.2
239.23595	5.6
243.21075	13.3
257.24576	1.4
260.09171	1.3
261.22119	57.9
262.22543	1.9
279.23032	2.4
289.75952	1.2
313.27310	100.0
314.27948	1.6
317.24747	12.2
335.25739	69.4
336.26019	1.4
446.43231	1.5
499.44891	1.7
573.40344	1.8
573.48669	22.8
588.52814	1.3
591.49939	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	591.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05494	0.3
55.27591	0.3
65.03912	0.4
67.01849	0.7
67.05459	0.4
68.07569	0.3
68.99775	2.5
69.03417	0.3
77.65975	0.3
79.05482	0.4
79.65413	0.3
83.01357	0.3
83.04956	0.8
85.02885	0.4
86.64785	0.3
89.03900	0.3
91.05460	0.4
93.03383	0.6
95.04964	0.6
97.02890	0.4
99.26059	0.3
105.03381	0.4
105.07071	0.4
107.01293	0.3
107.04935	0.8
109.02861	0.6
111.04428	3.1
115.05411	0.4
119.04924	0.5
123.04417	14.1
125.02352	0.5
127.03896	1.0
129.07042	0.4
131.04887	0.8
133.02844	0.5
133.06458	0.3
135.04401	8.0
137.02310	0.8
139.03883	100.0
140.04236	1.0
140.46213	0.2
141.01770	0.6
141.06972	0.5
143.04852	0.4
145.06447	0.8
147.04376	1.9
151.03883	4.4
153.06946	1.3
157.06477	0.7
159.04388	1.6
161.02208	0.3
161.05960	1.3
163.03883	9.4
164.04184	0.3
165.05498	0.5
167.03505	0.3
167.04965	0.3
169.06468	0.8
171.04385	0.5
171.07964	0.3
173.05946	0.9
175.03874	2.0
177.05508	0.7
179.03375	7.9
181.05016	0.5
181.06396	1.5
185.05939	1.8
187.03880	2.5
187.07619	0.4
189.05434	5.6
191.03394	1.0
193.04985	0.7
195.04387	0.3
197.05971	0.9
199.03871	0.6
199.07491	0.7
201.05444	2.1
203.03360	3.1
203.07132	0.6
207.04510	0.3
209.06055	1.3
213.05429	3.0
215.03357	2.4
215.06917	0.5
217.04973	3.4
225.05411	0.5
227.03389	0.7
227.06966	1.5
229.04929	2.7
231.06511	0.5
237.05409	1.4
241.04897	2.5
242.05823	0.3
243.06563	0.4
245.04420	8.1
247.05986	0.5
253.04878	0.4
255.06512	4.4
257.04398	2.5
259.05991	6.6
263.05405	1.4
265.04965	0.9
269.04419	3.5
270.05127	0.4
271.05957	4.5
273.07565	1.1
275.05444	0.4
281.04443	0.9
283.05981	17.8
284.06311	0.4
287.05466	14.5
290.49619	0.3
291.08707	1.0
299.02786	0.2
299.05466	8.3
301.07028	13.2
302.07150	0.4
303.08527	0.3
311.05484	2.7
319.89825	0.3
320.55432	0.3
403.08200	0.3
411.10715	1.4
421.09146	16.0
422.08810	0.3
433.09341	0.9
439.10260	9.3
440.10269	0.3
451.10184	1.2
523.46222	0.3
591.14514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49740	3.6
55.05498	13.1
57.03428	15.1
57.07073	38.5
67.05496	20.7
69.07059	11.3
69.89948	28.5
71.08620	26.4
79.05470	12.2
81.03405	79.3
81.07060	20.9
83.08604	23.8
85.10163	11.9
89.06042	5.1
91.05473	13.8
91.22101	4.3
93.07021	11.1
95.04971	16.2
95.08583	22.7
97.10165	5.1
105.06982	7.7
107.04916	6.3
107.08600	5.7
109.06508	4.4
109.10165	6.4
109.19633	4.0
111.08102	6.9
119.08570	5.8
121.10118	7.0
125.13836	3.9
129.06996	6.6
131.08511	7.1
147.11700	7.1
157.10104	9.1
159.61282	4.0
175.11145	7.8
193.12224	19.4
211.13116	3.9
224.86353	4.2
267.15869	100.0
313.27365	98.5
350.94492	3.9
505.38895	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35128	0.7
53.03939	1.8
55.05505	5.8
57.03428	11.9
57.07067	24.1
62.31796	0.9
67.05489	8.2
69.03387	1.0
69.07064	5.9
69.66319	7.4
71.04968	1.0
71.08620	17.1
77.24043	0.9
79.05485	5.1
81.03406	48.7
81.07041	12.5
83.04965	2.6
83.08609	16.8
85.10163	11.0
86.14709	0.8
89.06037	1.3
91.05470	7.9
91.85294	0.7
93.07042	4.8
95.04960	13.9
95.08595	12.6
96.55891	0.9
97.10149	3.6
105.07021	7.1
107.04926	2.7
107.08574	2.0
109.06480	1.2
109.10135	7.2
111.08051	4.5
119.08566	7.5
121.06496	1.4
121.10118	2.9
123.08035	1.0
123.11641	1.8
129.06996	5.7
131.08575	4.0
133.06467	1.9
133.10118	2.1
145.10117	1.1
147.08014	0.9
147.11646	4.3
149.09616	2.8
151.14809	0.8
157.10094	5.2
175.11139	6.1
193.12218	18.9
211.13257	1.9
229.24513	0.8
239.23547	1.4
249.14972	1.3
267.15878	100.0
268.16226	1.0
313.27325	91.8
314.27570	1.7
489.45084	0.8
505.38828	69.4
506.39359	1.9
611.42920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
68.99792	1.2
69.03416	1.0
70.06577	1.8
71.78049	0.8
71.78486	1.3
76.09657	0.7
77.33340	0.9
77.77103	0.6
84.04505	2.5
85.02888	1.3
86.09700	2.6
91.05468	1.8
94.06554	10.2
104.10722	3.7
105.03380	3.6
110.06001	0.8
119.04942	1.3
123.04415	11.4
126.03788	0.8
131.04883	1.4
133.02844	1.2
136.07562	3.4
138.05505	8.1
139.03918	0.9
147.04419	7.4
148.07516	0.8
149.02307	1.7
151.03893	12.1
153.01759	1.1
162.05479	74.0
163.03882	8.9
163.07626	0.9
165.05434	1.3
173.05989	2.0
175.03880	93.7
176.04572	2.3
177.05467	3.0
178.08594	2.7
180.06540	18.5
184.07324	4.9
187.03937	1.5
189.05455	2.6
190.08620	1.5
201.05490	6.1
202.08597	1.3
203.03430	0.9
204.06541	17.7
205.04926	11.3
213.07813	1.4
214.08589	13.6
215.08844	0.7
216.06532	57.0
217.04898	2.7
230.08093	2.8
232.09665	17.4
232.11838	0.6
233.85773	0.9
242.08479	0.8
245.04478	1.4
257.75586	0.7
258.07605	14.7
269.04315	0.8
269.80899	0.7
276.08630	79.1
277.08734	1.0
281.08313	1.3
287.05725	1.0
288.08438	0.9
309.07562	5.0
327.08575	73.1
328.09076	1.9
337.97824	0.9
348.12054	1.4
350.10098	2.2
366.13318	1.7
384.14484	3.2
392.11160	3.8
410.12289	100.0
411.12634	3.4
428.13379	67.2
428.20026	4.0
429.13681	2.1
439.06686	1.8
451.06650	0.9
573.10449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01865	1.4
55.05505	16.1
55.53474	1.2
56.43421	1.1
57.03434	9.4
57.07068	39.5
65.03944	1.8
67.05498	43.1
69.07059	21.5
71.04285	3.4
71.08624	27.4
79.05483	35.9
81.07045	47.1
83.08615	15.7
85.06520	3.1
85.10170	13.6
91.05469	46.1
91.06034	2.3
93.07030	38.9
95.04949	4.6
95.08593	40.5
95.09200	2.0
97.10152	9.6
99.08065	2.6
103.05472	2.5
105.04559	1.6
105.07019	50.0
107.08579	24.6
109.06548	1.9
109.10146	20.0
111.11705	1.5
115.05399	1.8
117.07002	12.3
119.07742	2.8
119.08569	45.9
121.10120	20.7
123.08028	1.2
123.11692	4.5
125.09573	1.5
126.38721	1.3
128.06175	1.8
129.05511	1.4
129.06972	6.7
130.07741	1.4
131.08556	16.5
133.10120	38.2
135.11679	16.1
137.09621	2.4
142.07800	1.8
143.08519	6.1
145.10109	18.4
147.11667	39.2
149.09578	3.0
149.13272	10.6
151.11168	1.8
157.10109	8.4
159.11713	18.2
161.13239	31.0
163.11209	1.8
163.14772	2.9
165.12721	1.3
171.11671	11.7
173.13235	9.8
175.14818	11.5
177.12787	1.9
185.13217	9.9
187.14746	3.7
189.12732	2.2
189.16342	1.6
197.13081	1.7
199.14825	5.5
203.14296	2.0
213.16383	2.8
221.15102	1.3
231.20981	6.4
237.11255	1.5
239.23637	4.5
241.19496	38.5
257.24734	2.2
259.20544	94.9
260.20883	4.5
261.22156	3.5
275.20273	1.4
277.21597	2.7
293.95273	1.4
311.25793	3.2
313.27322	100.0
314.27740	3.6
315.23212	8.9
333.24179	56.1
334.24551	2.7
335.25894	2.5
351.25302	1.5
431.41290	1.3
458.80841	1.3
497.43417	2.6
571.47021	12.5
572.47418	1.6
589.48376	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05504	0.9
57.03431	4.0
57.07071	8.4
64.92488	0.8
67.05499	3.4
69.07056	8.5
71.08623	3.4
79.05481	2.1
81.07050	7.8
83.01341	2.7
85.06599	0.8
85.10181	1.2
91.05484	3.1
93.07032	5.8
95.04978	1.7
95.08589	4.2
105.06961	1.1
107.08588	7.3
109.06487	1.5
109.10160	2.5
119.08555	1.9
121.10099	1.1
123.11684	18.7
127.03831	1.2
131.08591	2.0
133.10118	1.6
135.08032	4.2
135.11678	11.3
135.86552	0.8
137.05977	4.5
139.03883	0.9
145.10144	2.9
147.11696	1.9
149.09618	1.6
153.05435	7.6
155.08617	0.9
161.09331	1.0
161.13145	1.1
162.06810	1.3
163.07481	4.2
163.11212	2.5
165.05457	88.8
173.09622	1.3
176.08318	2.5
177.05443	1.5
177.09081	12.7
179.06924	0.8
191.07010	1.0
191.10628	6.6
196.12979	0.8
201.09146	4.6
204.07831	1.6
204.76357	0.8
205.08531	0.9
207.10202	1.7
217.08591	1.7
219.10143	72.3
220.10509	1.7
221.11699	49.9
225.11209	2.6
231.10107	1.0
235.09613	1.3
237.11176	100.0
257.11646	1.0
277.21545	1.1
287.16382	51.9
288.16846	1.2
305.17404	22.9
313.27289	1.2
325.21686	0.9
341.21109	2.1
343.22711	8.0
356.61240	0.9
357.20670	2.3
359.22122	43.7
360.22601	1.6
371.22144	10.4
377.23218	3.5
427.28528	7.7
431.31549	1.2
445.29526	1.6
571.42700	0.8
589.48578	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	588.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
53.26113	0.6
55.01852	1.5
55.05505	14.5
57.03426	10.6
57.07072	6.0
67.05489	8.1
69.03414	0.7
69.07058	18.8
71.08611	4.5
74.27754	0.6
79.05489	5.8
81.03406	47.7
81.07040	9.5
83.04954	2.8
83.08608	25.5
85.10156	1.6
89.72393	0.6
91.05462	7.4
93.07029	5.8
95.04955	12.7
95.08600	5.4
97.02849	1.2
97.06497	2.0
97.10151	12.8
103.41422	0.7
105.07004	7.2
107.04916	2.4
107.08569	3.9
109.06484	2.1
109.10172	1.6
111.04453	1.1
111.08053	4.3
111.11706	3.8
115.05451	1.0
117.06992	1.0
119.08546	6.6
121.06512	2.2
121.10137	5.6
123.08033	1.0
123.11683	1.1
125.09576	0.7
129.06979	4.2
131.08548	5.0
131.25693	0.6
133.06505	1.6
133.10092	2.3
135.11684	2.0
137.09602	0.7
142.07762	1.9
145.10048	1.3
147.08031	1.8
147.11696	4.6
149.09599	4.0
157.10106	6.9
158.37883	0.7
163.11069	1.1
163.14641	0.7
165.12740	1.2
175.11191	5.4
193.12190	16.5
211.13220	1.5
223.13091	0.7
249.14806	1.1
267.15869	100.0
268.16229	2.0
288.39636	0.8
311.25751	60.5
312.26111	1.6
313.27283	1.2
340.82159	0.8
503.37250	39.9
504.37457	2.0
588.47156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
53.71847	0.8
54.47008	0.9
55.05257	1.6
55.05504	14.7
56.74051	0.7
57.03431	12.4
57.07068	8.5
67.05486	8.8
68.83484	0.8
69.03420	1.1
69.07060	20.6
69.67806	8.3
71.08627	5.2
79.05486	8.4
81.03404	49.5
81.07043	11.2
83.04982	3.4
83.08608	23.4
85.06509	1.0
85.10168	2.0
91.05467	11.6
93.06532	1.3
93.07024	6.5
95.04958	13.2
95.08597	5.8
97.06519	2.5
97.10155	11.4
105.07013	8.5
107.04948	2.7
107.08562	3.8
109.06511	1.7
109.10141	2.8
111.04440	1.8
111.08055	4.5
111.11707	3.8
117.06986	1.8
119.04913	1.0
119.08581	8.6
121.06512	1.4
121.10123	6.4
125.09619	1.6
127.66027	1.0
129.07001	4.8
131.08516	5.0
133.06482	1.1
133.10123	3.9
135.11685	2.1
137.13295	1.0
142.07802	1.2
145.10112	1.6
147.08008	1.8
147.11702	4.8
149.09616	2.6
157.10123	6.3
163.11160	1.2
166.42577	1.1
175.11188	3.9
193.12201	17.8
211.13225	1.3
249.14812	1.0
267.15875	100.0
268.16241	1.2
311.25763	57.4
312.26117	1.4
313.27295	2.0
366.38257	1.1
429.33704	1.0
503.37241	40.7
504.36960	1.3
588.46521	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	588.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
55.01864	1.0
55.05507	5.2
57.03408	1.2
57.07056	1.1
61.02901	0.6
62.06078	1.0
62.49353	0.5
65.25507	0.5
67.05502	4.5
69.03422	6.4
69.07058	6.5
70.06564	1.7
71.04964	1.2
71.08624	9.6
72.08141	3.7
73.02892	1.0
75.50574	0.5
79.05476	3.8
81.03391	2.5
81.07046	7.4
83.04965	1.0
83.08611	6.5
84.08134	2.4
84.15656	0.5
85.02890	6.5
85.06525	0.9
86.06054	23.8
87.04478	0.9
91.03946	0.6
91.05449	2.1
93.07041	4.4
95.04940	1.1
95.08585	4.8
96.08109	4.3
97.02884	4.6
97.06518	2.7
97.10124	1.7
98.06018	1.7
98.09682	9.1
99.04444	1.2
99.08080	11.6
105.06998	2.0
107.04957	0.6
107.08569	3.2
108.08116	3.2
108.08777	0.7
109.02838	2.1
109.10139	2.6
110.09621	1.1
111.08046	1.6
114.09145	0.9
116.10716	61.0
117.06981	1.4
117.11010	0.8
119.08532	1.0
121.10091	1.9
122.09655	2.7
124.07553	1.7
125.09589	0.8
127.03902	4.3
130.08601	0.8
131.08522	0.8
133.10136	0.7
134.09612	0.5
135.11665	1.0
136.11186	1.0
140.10654	1.6
142.12218	0.8
143.10628	3.5
145.04918	1.0
145.10086	0.9
149.09630	0.8
149.13225	4.5
152.10680	0.6
154.15874	2.4
159.11597	0.6
163.07439	0.6
164.14256	0.6
166.15916	2.4
167.14291	1.6
177.34723	0.5
178.15913	1.5
196.16940	6.0
214.17990	100.0
215.18376	2.2
227.12735	0.7
231.15829	4.0
238.17969	1.3
239.16493	2.1
243.12291	0.8
256.19061	1.7
257.17377	4.9
261.13327	3.8
264.23184	0.6
268.22641	0.8
274.21713	0.8
292.22675	2.8
310.23727	19.2
328.24777	86.4
329.25006	2.6
376.23230	9.8
408.31134	4.1
426.32086	26.6
427.32513	1.0
472.29105	1.0
490.30106	19.5
491.30539	0.6
531.04572	0.5
532.06024	0.8
534.38171	0.5
570.30847	0.9
588.12195	1.2
588.37537	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.70805	1.2
55.96334	1.2
61.69384	1.2
67.48393	1.1
68.99738	1.2
69.03411	4.6
70.06579	1.7
70.75385	3.8
73.02905	2.2
78.04658	1.3
79.05476	5.3
81.03400	7.4
85.02888	8.6
86.09653	1.2
91.05466	9.7
93.07044	2.2
95.04946	3.6
97.02876	3.5
103.03897	1.5
103.05449	11.0
105.07014	20.5
107.04937	47.3
109.02848	2.6
109.06487	2.2
111.06931	1.4
115.05439	5.6
117.07013	2.7
118.04150	3.4
119.04917	9.2
120.05714	3.1
121.06501	6.7
123.04383	4.3
123.07967	1.5
124.05138	1.7
127.03925	5.1
131.04916	9.0
133.02841	9.6
133.06464	17.2
135.04402	2.7
135.08023	19.8
137.05952	26.0
139.03847	1.6
145.04926	2.6
145.06549	1.5
146.03659	1.5
147.04391	13.5
149.05974	11.4
150.06725	9.6
151.03795	1.4
151.07535	17.8
154.06129	1.4
161.05952	14.7
163.07516	66.4
165.05441	3.5
165.09099	13.0
166.06239	2.1
167.07016	67.9
167.23936	1.3
169.06299	1.5
175.07562	3.7
177.05475	2.1
179.07014	22.9
180.07745	2.0
181.08577	26.1
187.07495	2.1
191.06987	3.0
193.08574	54.6
195.10143	54.9
203.06996	1.7
205.08589	3.4
207.10126	9.6
209.11606	1.6
211.09621	100.0
212.09940	2.3
213.11172	36.4
215.06995	2.2
217.08467	1.6
219.10121	1.4
223.09618	5.4
225.11162	7.7
235.09624	2.4
237.11263	7.1
253.10739	6.3
275.08905	1.7
279.12122	2.8
291.12192	3.0
303.12155	4.9
311.11240	2.2
321.13306	8.2
339.14365	2.3
343.15408	1.4
361.16428	2.6
517.20081	1.5
601.22180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39172	0.1
61.01170	0.1
65.03930	0.8
69.03416	0.8
69.51444	0.1
70.06593	0.3
70.26243	0.8
72.04502	0.3
78.03795	0.2
85.02885	0.2
85.06544	0.1
86.09675	0.2
88.02210	0.2
91.05466	5.9
96.89197	0.1
97.02921	0.2
98.21510	0.1
99.05537	0.1
102.03725	0.3
113.06047	0.2
114.03754	0.2
119.04926	17.7
124.07584	0.1
127.03908	0.5
130.08611	0.2
131.06351	0.2
132.04782	0.4
136.85475	0.1
142.08572	0.3
147.04387	100.0
148.04721	0.5
149.07433	1.7
165.05449	0.4
165.47556	0.1
175.05363	0.2
184.09688	0.3
218.08102	1.9
227.00346	0.1
231.06538	0.1
261.12665	2.3
291.08633	0.9
295.11084	1.4
309.09644	3.1
353.10025	0.3
380.13361	3.4
439.15030	0.2
457.16351	14.3
569.21564	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	587.3202
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
51.02385	1.7
53.03943	6.7
55.01859	8.3
55.05505	22.3
57.03426	6.6
59.46446	1.1
65.03953	2.7
67.05495	45.4
69.03408	4.7
69.07068	14.4
71.04983	3.5
71.80034	1.3
71.80409	1.3
79.05486	39.8
79.88245	1.1
81.03405	25.6
81.07047	56.9
82.56190	1.0
83.04970	6.1
83.08612	15.4
85.02888	3.1
85.06522	3.5
91.05470	36.5
93.07038	33.5
94.29617	1.1
95.01271	1.9
95.04958	36.4
95.08593	19.7
97.02879	4.4
97.06520	7.7
97.10159	10.0
103.05462	4.9
105.07014	22.1
107.04935	13.1
107.08573	20.9
107.82056	1.1
109.02863	10.4
109.06506	6.8
109.10155	6.5
111.04426	2.9
111.08078	4.1
115.05437	6.1
117.07003	15.4
119.04915	6.4
119.08566	13.3
121.02856	4.6
121.06487	10.3
121.10120	9.6
123.04407	4.6
123.08048	4.3
123.11718	3.9
125.05968	1.3
125.09607	5.7
127.03921	1.3
128.06227	4.5
129.06985	11.6
130.98087	1.1
131.04903	9.7
131.08557	13.8
133.06464	10.4
133.10075	9.1
135.04337	2.8
135.08055	4.5
135.11633	6.0
137.02338	5.9
137.05977	2.8
139.03882	1.4
141.07010	6.2
142.07805	2.0
143.04910	2.3
143.08553	9.2
145.06479	15.7
145.10121	5.3
147.04388	8.4
147.08043	6.4
147.11658	7.0
149.05949	5.7
149.09575	1.9
149.13228	7.0
153.06944	1.9
153.09152	1.5
155.08536	6.5
157.06445	7.1
157.10124	5.2
158.07220	2.2
159.04462	2.1
159.08044	7.1
159.11697	4.9
160.05206	3.5
161.05963	19.5
161.09616	4.2
163.07578	1.3
163.11189	5.6
165.12726	1.6
167.08536	3.0
169.06458	3.9
169.10118	4.5
171.04515	3.7
171.08022	6.9
171.11659	1.8
173.05960	21.4
173.09599	3.7
173.13301	1.3
174.06720	8.1
175.03865	1.9
175.07492	4.9
175.11191	3.6
177.05447	1.6
177.12697	3.3
179.08537	3.4
181.06482	3.5
181.10138	3.9
183.08035	4.1
183.11661	2.9
185.05922	2.9
185.09619	4.1
185.13237	2.5
187.07472	10.5
187.11246	2.6
189.05444	21.3
189.09077	3.0
189.11011	2.4
190.06197	1.4
191.07072	2.5
193.10130	2.3
193.12195	2.9
195.08054	4.4
195.11937	1.9
195.13814	5.6
197.09561	3.4
199.07536	2.4
199.11189	1.3
201.05489	2.0
201.09044	3.0
201.12730	1.4
203.07076	2.9
203.10637	3.0
209.09604	2.8
211.11206	2.9
211.13097	1.7
213.12640	2.3
215.10712	2.0
223.11189	1.5
227.12666	1.8
231.13875	1.4
237.12761	1.8
239.10699	1.7
241.12135	1.9
243.13704	2.5
245.15329	2.6
255.13786	5.3
257.15387	4.4
259.02719	1.4
261.03952	1.3
267.13519	1.8
267.15991	2.9
269.04410	7.2
269.17456	22.8
271.13269	3.9
273.14810	20.3
283.13315	9.7
283.16568	2.0
285.14621	10.4
289.14276	6.0
301.14301	71.1
303.15787	6.8
311.16409	1.9
313.14459	2.0
319.15485	8.0
325.18051	1.7
345.16977	2.0
357.16998	4.7
375.17865	14.6
393.19257	5.5
449.26981	3.1
459.25067	2.2
461.29010	2.2
467.27969	2.7
477.26428	4.8
495.27444	5.1
497.29269	1.6
513.28424	3.7
523.30487	1.9
527.29932	5.7
539.30072	3.9
541.31329	6.8
543.13116	1.4
551.29950	8.4
557.30908	18.5
569.31036	71.7
587.11688	3.6
587.32050	100.0
588.32477	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	586.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	1.2
55.05452	1.6
57.03369	1.2
57.07033	0.8
58.85293	0.4
61.02910	1.8
61.10690	0.3
67.05485	2.0
69.03422	4.9
69.07063	3.5
70.06532	0.4
71.01308	0.3
71.04931	0.8
71.82027	0.6
73.02850	1.1
79.05477	1.7
81.03412	2.9
81.07050	2.6
82.06538	0.8
83.04961	0.4
83.08537	1.6
83.91943	0.4
84.08081	0.9
85.02894	13.8
85.06494	0.6
86.06055	7.5
86.09657	0.8
87.04459	3.9
90.03989	0.4
91.05409	1.4
93.07020	2.8
95.04921	0.7
95.08599	1.7
96.07531	0.3
96.08101	2.7
97.02879	4.5
97.06451	1.6
97.10101	0.8
98.05988	1.4
98.09655	0.8
99.04435	2.1
100.11193	0.9
105.06945	0.9
105.24108	0.4
107.08572	2.2
108.08064	1.0
109.02886	2.3
109.06445	1.1
109.10112	0.7
110.09677	1.7
111.04359	0.5
112.07543	0.5
116.10709	3.7
119.08532	0.6
121.08846	0.5
121.10090	0.8
122.09615	0.5
123.07997	0.6
123.11639	0.5
123.91545	0.4
124.07510	0.8
124.11212	0.9
125.00006	0.5
127.03900	3.3
135.11601	1.1
136.11107	0.6
138.09019	0.6
139.03876	0.6
142.07689	0.5
142.08624	5.8
142.12288	0.4
145.04855	1.4
147.11591	0.5
149.13176	1.6
151.03801	0.4
151.11177	2.2
152.10683	0.5
152.14246	0.5
154.12163	1.1
159.11696	0.4
166.15900	5.5
169.12129	0.4
176.14235	0.4
184.07358	0.4
190.85083	0.4
194.15411	1.8
210.14981	0.4
210.18535	1.5
212.16431	40.7
213.16763	0.5
238.17992	29.9
256.19049	100.0
257.04395	1.6
257.19287	1.2
328.24899	0.9
345.43265	0.4
353.10117	3.0
363.25214	0.7
374.21695	58.1
375.14490	0.4
375.22025	0.7
395.11069	0.5
406.29584	1.0
418.24237	6.0
424.30518	8.3
448.94025	0.4
518.84515	0.4
568.30487	0.5
586.36005	19.0
587.12164	0.7
589.02472	0.4
594.46832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46386	0.5
53.03936	0.6
55.01859	0.8
55.05509	3.3
56.05007	0.6
56.34844	0.5
57.03413	1.2
67.05500	5.6
69.03419	4.7
69.07057	3.6
70.06584	0.8
70.14916	3.0
71.04978	1.1
71.08620	7.1
72.08134	2.3
79.05495	2.7
81.03403	2.2
81.06605	0.9
81.07047	12.0
83.04977	1.3
83.08591	1.8
84.08136	1.1
85.02894	5.8
85.06504	1.1
86.06059	30.4
87.04421	0.7
89.66306	0.6
91.05468	4.8
93.07026	3.3
95.04948	2.2
95.08600	3.1
96.08128	2.7
97.02879	3.2
97.06513	2.5
97.10169	0.7
98.09689	8.4
99.04451	1.2
99.08093	8.5
100.07566	0.7
105.07026	6.5
107.08587	2.5
108.08076	1.7
109.02862	1.5
109.06496	1.8
109.10110	0.5
114.09138	1.1
116.10721	53.9
117.07030	0.6
119.08568	4.9
121.06504	0.7
121.10139	3.5
122.09672	1.2
123.08076	0.6
123.11703	4.8
124.07578	1.0
127.03928	2.6
129.06975	1.0
131.08537	1.7
133.10110	2.0
135.11737	0.6
136.11197	0.7
140.10698	1.3
142.08595	1.6
142.12305	1.2
143.10664	4.4
145.04921	0.7
147.11670	16.3
154.15846	0.8
157.10109	4.7
165.12718	5.9
175.11201	3.7
183.13702	0.6
186.19156	0.5
193.12218	1.4
196.16930	2.9
200.23851	0.5
214.18002	38.0
215.18092	0.5
216.68266	0.7
229.14339	9.4
233.17186	0.6
236.16504	0.6
243.12320	1.2
255.15863	3.0
261.13354	3.2
290.21088	0.8
301.14331	0.8
308.22147	7.8
321.16769	0.6
326.23236	100.0
327.23535	0.7
376.23352	6.6
406.29599	5.6
424.30560	32.1
488.28555	19.7
488.34045	0.4
488.35690	0.7
551.68274	0.6
586.35907	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
53.73404	0.5
55.01856	2.0
65.03915	1.9
67.05482	0.9
69.03409	0.6
71.70081	0.9
75.04465	4.1
75.86609	0.5
78.04686	1.3
79.05492	1.3
81.03394	1.1
81.07053	0.6
85.02893	4.5
89.03874	0.8
89.05988	0.7
91.05462	9.3
93.03394	10.6
93.07013	5.3
95.04956	5.4
97.02850	0.5
97.06505	2.4
99.04453	0.6
103.03958	0.6
103.05446	5.7
105.07020	4.5
106.04157	22.9
107.04951	2.1
109.06535	0.8
111.44814	0.5
115.05421	0.7
117.03385	0.6
118.04132	1.1
119.04915	2.5
121.06490	24.5
122.07294	0.7
123.04432	1.3
123.08061	0.6
125.05972	8.0
127.03912	1.0
131.04857	1.4
133.02818	4.5
133.06482	4.1
134.03633	3.4
135.04401	1.2
136.06230	0.6
137.05946	4.6
137.46207	0.5
138.06757	0.9
139.07529	2.2
145.02870	1.3
147.04396	2.4
148.05124	2.0
149.05959	42.8
150.06409	0.6
151.03874	0.9
151.07518	1.7
152.08316	0.8
153.05432	1.6
153.09085	10.2
161.05965	8.2
163.07491	2.8
165.05458	1.6
166.06223	0.6
167.07018	0.6
177.05446	20.9
179.06984	1.5
181.08569	17.7
191.06996	13.7
193.07005	0.7
193.08600	7.3
200.01527	0.5
209.08061	100.0
210.08383	1.5
339.11942	0.7
341.13770	1.1
357.13016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.3
60.31253	1.8
65.97123	1.7
67.05487	3.0
69.07070	9.4
69.61837	4.8
69.62261	14.9
79.05464	3.6
81.07040	28.2
91.05471	2.0
93.07027	3.0
95.08575	6.0
107.08549	4.9
109.10154	4.9
113.54269	2.1
121.06419	1.9
123.11692	16.8
135.08043	3.5
135.11670	7.7
137.05916	3.2
149.09605	3.1
150.56166	1.7
150.62184	1.8
153.05440	5.9
158.23566	2.4
159.08025	3.1
163.07489	7.8
165.05453	66.1
177.09076	11.3
185.41624	2.0
187.07573	5.3
189.33891	2.0
203.07074	2.8
205.08557	62.4
221.11694	46.8
223.09625	100.0
287.16357	28.4
291.15863	22.1
305.17487	14.4
311.29315	2.4
312.29703	2.3
323.18289	3.3
343.18927	2.8
343.22617	10.2
345.16528	3.7
345.20520	31.7
357.20560	10.1
361.20184	2.0
363.21515	18.8
369.39728	2.2
375.21509	3.9
381.22638	2.1
413.26712	6.6
431.28226	2.5
436.60989	1.8
446.88004	2.1
449.28375	2.0
472.49774	2.0
585.56171	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	585.4139
Annotation	Ma'eganedin A
Peak:m/z	Relative Intensity
55.05504	2.8
57.07071	2.3
57.14457	1.1
67.05494	2.8
69.07063	7.4
79.05476	4.1
81.07045	8.9
83.01353	1.6
83.08602	2.1
89.06020	1.9
91.05477	3.2
93.07035	5.5
95.08605	4.6
97.06579	1.3
105.07027	3.6
107.08562	5.8
109.10166	4.7
109.52092	1.1
119.08580	2.4
121.06503	2.7
121.10135	4.0
123.11700	15.6
131.08586	2.5
133.08606	1.6
133.10159	5.4
135.08026	2.5
135.11670	12.7
135.68129	1.2
145.10072	1.7
149.09636	4.0
153.05450	3.3
154.48453	1.3
159.08006	3.3
162.06737	3.0
163.07465	6.5
165.05458	34.1
167.07028	24.3
177.09061	9.4
177.16322	1.5
187.07481	3.6
203.17880	1.8
205.08591	55.6
219.10025	1.6
221.11716	26.8
223.09628	100.0
223.54355	1.1
224.09892	1.2
271.24338	1.2
275.19971	1.8
287.16418	2.8
289.17911	2.7
291.15948	8.0
321.79605	1.2
334.38446	1.5
343.22571	3.4
345.20633	5.6
357.20761	1.1
369.26279	1.4
413.27094	3.3
423.28918	15.7
442.31534	1.3
479.35239	1.8
481.33017	16.3
493.33185	2.6
542.89417	1.3
549.39142	3.1
585.45154	5.4
585.56281	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	585.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01863	2.8
57.03431	5.3
61.02922	3.8
67.01846	1.4
67.05505	1.4
69.03426	12.3
70.61704	1.7
70.62050	4.3
71.04984	5.5
73.02914	7.1
79.05475	2.3
81.03407	21.2
85.02897	76.9
91.05471	2.6
93.07047	1.7
95.04967	7.4
97.02885	33.6
98.15919	1.3
98.20814	1.3
99.04447	46.5
103.03934	93.2
105.07062	2.8
107.04912	1.9
108.88545	1.1
109.02868	30.9
109.06546	2.3
111.04435	22.1
115.03929	1.8
123.04424	22.1
124.05215	12.9
125.02327	2.5
127.03906	100.0
131.04939	1.2
137.05969	4.3
139.03889	55.1
140.04713	7.0
141.05502	2.2
145.04947	64.0
147.04410	2.5
149.02339	3.4
149.05949	1.6
151.03874	5.8
153.05437	6.3
155.03380	22.0
161.05971	4.1
163.03938	6.1
163.06007	15.5
164.04724	3.5
165.05518	2.5
167.03421	1.9
167.07050	1.7
169.04982	7.5
175.03915	1.4
175.07579	1.4
177.05472	7.7
178.06284	2.3
179.03412	5.5
181.04964	3.6
181.06500	1.4
185.05891	1.7
187.05991	5.6
189.05476	3.7
191.03362	2.0
191.07120	1.3
193.05011	2.2
197.04349	3.1
203.06967	1.9
205.04970	4.2
205.06981	2.0
206.05777	5.5
215.07167	1.3
217.04897	2.4
219.06415	1.9
221.04439	1.7
229.07010	2.6
231.06529	3.6
247.08136	9.3
248.06775	2.1
271.08191	4.2
273.03860	1.6
273.07578	1.6
274.04706	1.5
279.08643	29.1
289.06845	5.7
291.08649	9.6
301.14151	1.4
303.08609	10.2
313.03375	2.3
315.08630	3.1
321.09698	14.5
341.10071	3.6
343.08398	1.4
345.05713	1.5
345.09665	18.7
369.09644	21.7
387.10703	26.6
388.10358	1.3
405.11661	5.5
447.77960	1.2
531.15033	2.6
537.16931	1.6
549.15778	1.5
567.29376	1.9
585.29791	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	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01866	1.7
55.05503	8.8
57.07066	11.2
59.04967	3.0
61.15060	1.9
67.05500	13.7
69.03413	5.4
69.07047	10.2
79.05479	18.6
81.07047	22.3
83.04945	4.1
83.08585	3.0
85.06518	4.2
87.46059	1.5
89.06020	7.3
91.05461	32.0
91.06033	1.7
93.07039	37.2
95.04961	8.6
95.08590	25.8
97.06517	4.5
102.09167	1.8
105.07014	51.6
106.07793	4.5
107.07921	2.8
107.08588	35.0
109.06526	8.9
109.10140	15.5
110.10507	2.0
111.08109	1.8
115.05439	3.6
117.06987	18.0
119.08566	80.0
120.09345	4.7
121.06499	4.7
121.10117	24.3
123.08068	10.4
123.11703	5.7
125.06010	4.8
128.06209	3.6
129.06992	13.7
130.07738	6.2
131.08560	37.6
132.09314	2.3
133.08575	4.3
133.10110	31.5
135.08028	11.9
135.11693	12.6
137.09610	7.8
139.07513	1.8
141.06905	2.9
141.12685	2.0
142.07741	16.0
143.08545	28.7
144.09294	10.7
145.10104	49.6
146.10674	3.3
147.08002	17.7
147.11655	16.6
148.08817	1.9
149.09593	6.0
149.13213	2.3
151.07521	4.7
151.11113	2.3
153.07043	3.0
153.08900	1.9
155.08539	13.5
156.09343	14.9
157.10115	45.2
158.10870	9.2
159.08034	4.6
159.11661	29.5
160.12256	2.1
161.09592	4.9
161.13260	7.1
163.11137	9.3
165.06990	4.5
165.09093	27.1
167.08588	4.2
168.09337	6.2
169.10115	18.6
170.10872	7.4
171.11676	24.4
172.12450	7.8
173.09615	6.0
173.13251	17.6
175.11177	12.3
175.14836	10.8
177.09148	2.7
177.12675	3.4
179.08565	5.9
180.09378	4.7
181.10112	11.8
181.12140	9.0
182.10843	4.9
183.11664	20.7
184.12248	2.8
185.09653	2.0
185.13243	15.7
187.11171	2.3
187.14815	7.4
189.12735	6.8
190.13489	5.2
191.10704	2.8
191.14355	3.2
193.10213	8.2
193.12212	7.6
194.10867	6.8
195.11685	14.2
196.12411	4.6
197.13202	14.3
198.13951	2.2
199.11174	4.6
199.14839	5.0
201.12730	3.6
201.16296	3.2
203.14301	12.5
206.10863	3.6
207.10046	1.9
207.11690	10.7
207.13780	7.7
208.12502	3.8
208.14439	2.4
209.13246	14.7
209.15092	2.9
210.14024	2.5
211.14754	8.7
212.15355	2.5
213.12834	2.4
213.16393	4.6
215.14336	2.6
217.15845	3.2
219.11746	2.1
219.13794	3.7
220.12517	2.2
221.13290	7.0
221.15311	47.9
222.15849	1.8
223.11330	2.6
223.14719	9.2
225.12740	3.2
225.16350	5.7
227.14174	2.6
229.15855	2.1
232.12357	2.5
232.80742	1.9
233.13120	2.4
234.14067	1.9
234.16042	9.5
235.11217	2.0
235.14703	4.0
237.12744	4.6
237.16321	3.7
239.17924	3.2
241.15825	2.3
243.13994	2.5
247.14684	2.7
247.16931	8.3
249.16406	3.4
250.17120	2.3
251.14488	1.8
251.18051	4.2
255.17731	1.8
261.16275	2.5
263.14536	1.8
263.17877	3.2
267.17450	2.2
271.20541	2.2
274.19299	2.3
277.65930	1.7
281.19049	2.9
283.20328	2.8
285.18311	3.4
296.21405	2.8
297.18588	1.8
299.20154	8.6
300.20728	2.4
310.19247	2.3
312.20920	3.3
312.24310	3.7
325.21658	7.8
337.21585	6.7
339.22910	2.4
352.23926	66.6
353.24197	2.3
365.24796	12.4
376.27649	2.5
378.25708	3.5
391.26068	2.1
394.51254	1.6
397.27179	3.3
398.27979	5.8
404.30624	5.8
411.28952	3.5
412.29626	13.6
425.30380	5.0
438.31296	16.3
489.33405	4.7
491.35480	10.9
492.35538	6.6
504.35947	100.0
505.36487	3.7
566.41040	3.2
584.42212	22.8
584.56152	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	583.412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36872	3.7
55.05492	7.2
57.07053	5.2
67.05494	7.7
69.03403	5.5
69.07047	8.9
69.90234	24.7
79.05484	11.1
81.07029	13.7
85.06506	5.2
89.65392	3.3
91.05460	10.2
93.07024	15.7
95.04932	9.9
95.08579	21.4
98.20771	6.8
101.68192	3.5
105.07021	27.2
107.08564	17.2
109.06515	4.2
109.10139	3.8
116.77248	3.0
117.07008	5.1
119.08577	22.1
121.10115	18.9
123.08036	9.6
129.07007	4.1
131.08511	8.3
133.10121	15.8
135.08015	4.7
137.09552	4.2
141.07024	4.3
142.07777	7.5
143.08545	11.4
145.10072	16.8
147.08037	10.5
147.11664	6.2
149.09669	3.3
151.07521	9.8
156.09331	8.3
157.10085	18.3
159.11674	10.1
161.13164	4.0
163.11089	3.7
165.06987	3.9
165.09087	28.1
167.08653	3.8
169.10051	4.4
171.11671	10.9
173.13242	6.2
175.14832	5.7
175.92560	3.2
179.08562	4.1
180.09230	4.5
181.10112	4.7
182.10916	4.0
183.11700	8.2
185.13278	11.1
189.12735	6.7
195.11674	7.2
197.13283	7.8
199.14796	4.2
203.14264	13.1
207.11647	5.3
207.13727	5.5
209.13234	6.2
211.14726	5.8
221.13333	6.3
221.15326	39.6
223.14702	4.7
233.15443	3.3
247.49271	3.5
261.16330	4.2
287.20123	4.6
295.20636	5.4
297.22354	3.5
299.19965	3.7
336.20749	3.7
367.01505	3.5
375.26791	4.8
403.29831	8.5
503.34915	6.9
565.40747	19.8
583.41388	100.0
584.41351	4.3
613.18469	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	583.4147
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03943	1.6
55.05502	5.6
57.07072	5.3
59.04978	1.6
65.03911	1.2
67.05496	9.5
69.03418	4.4
69.07060	6.2
79.05479	7.1
81.07048	12.2
83.04972	1.7
83.08615	2.9
85.06538	3.1
91.05465	14.2
93.07031	22.3
95.04961	4.9
95.08595	18.7
97.06512	1.7
103.05458	1.4
103.68502	0.8
105.07021	24.3
107.08584	15.0
107.38503	0.8
108.08940	0.9
109.06527	3.0
109.10133	8.3
115.05444	1.3
116.07088	1.2
117.07008	4.3
119.08575	20.8
121.06489	2.4
121.10130	15.6
121.68053	0.8
123.08053	11.9
123.11672	3.8
125.05995	0.9
128.06226	3.2
129.06987	4.3
130.07785	1.9
131.08563	8.4
131.09447	1.0
133.10112	14.8
135.08020	5.9
135.11702	4.5
137.05905	1.0
137.09578	7.4
141.06981	3.6
142.07748	7.5
143.08560	10.3
144.09341	1.9
145.10106	17.6
145.11215	1.3
147.08037	11.2
147.11671	6.9
149.09616	1.8
149.13272	1.0
151.07506	13.6
153.06987	1.1
155.08528	4.6
156.09340	4.9
157.10118	19.0
158.10905	1.6
159.08003	2.1
159.11673	9.4
161.09598	3.1
161.13185	3.9
163.11183	3.7
165.05499	1.2
165.06975	1.7
165.09088	25.7
165.10411	1.5
167.08553	3.0
168.09358	2.6
169.10150	7.1
170.10913	3.5
171.08041	1.0
171.11664	11.4
172.12456	1.1
173.09599	1.7
173.13251	6.9
175.11183	2.2
175.14845	2.5
177.09085	1.7
179.08560	2.7
180.09375	0.9
181.10144	5.0
181.12158	1.7
182.10834	2.3
183.11662	8.2
185.13252	7.0
187.14821	2.5
189.12708	4.8
191.10591	1.0
192.09250	0.9
193.10027	4.1
194.10936	3.8
195.11676	7.4
196.12447	2.0
197.13271	8.0
198.14064	1.0
199.14836	3.0
201.16446	1.0
203.14291	10.8
203.17996	2.4
205.08589	3.0
205.10306	1.0
206.10907	2.3
207.11690	5.5
207.13857	4.7
208.12512	2.6
209.13229	7.9
210.14050	2.3
211.14749	3.9
213.12785	1.5
213.16402	2.1
215.14201	1.3
217.15927	1.2
218.10954	1.0
219.11752	2.1
220.12488	1.6
221.13275	5.0
221.15306	42.0
222.13896	1.5
222.15800	1.0
223.09647	5.1
223.14746	4.6
224.15802	1.2
225.12831	1.2
225.16466	2.7
229.98863	1.0
231.17627	2.2
233.13174	3.0
233.15355	1.1
234.81778	0.9
235.14732	4.3
237.16261	4.8
239.17924	1.6
243.17517	0.9
245.13295	1.4
246.14058	1.1
247.14844	2.2
248.15479	1.2
249.16394	2.9
251.18004	1.7
253.19611	1.3
257.19083	2.0
258.14005	1.1
259.14810	1.9
260.15546	1.1
261.16403	2.4
262.17188	0.9
263.18085	2.0
265.19626	1.9
269.18839	1.0
271.20639	1.9
273.16064	1.0
275.17822	2.2
277.19592	2.2
279.21103	1.5
281.18634	1.5
283.20602	1.8
287.17334	1.0
287.20255	1.5
289.19583	1.3
291.21143	1.2
293.19083	1.0
295.20663	2.6
297.22107	4.1
299.20215	1.2
301.19467	1.0
313.21707	0.8
345.20670	1.9
347.23120	1.1
347.70010	1.0
349.25195	0.9
352.23859	1.6
357.25943	1.9
365.24789	2.9
375.26706	5.4
403.29858	7.6
491.34540	1.3
503.35175	3.9
509.33966	2.0
547.39154	3.0
553.68109	0.8
565.40308	23.9
568.37488	1.1
583.41406	100.0
584.41772	2.5
590.46460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.05506	19.6
55.38330	3.1
57.07062	11.8
59.04979	6.6
65.03929	7.4
66.13543	4.0
67.05502	34.7
69.03405	9.3
69.07063	33.1
70.14314	18.2
79.05492	31.2
81.07046	45.1
83.04974	12.3
83.08611	13.5
85.06532	8.8
89.06014	5.2
91.05471	57.2
93.07028	76.5
95.04948	19.7
95.08591	48.1
96.33873	3.2
97.06509	7.5
98.20695	6.1
103.04237	4.2
103.05448	5.3
105.07020	86.5
107.08582	66.3
107.65394	3.7
109.06517	14.5
109.10133	31.9
115.05427	7.2
117.06292	3.9
117.06989	23.3
119.08564	97.1
120.08894	5.6
121.10133	71.9
123.08054	15.2
123.11713	11.9
125.05972	8.8
125.09595	4.8
128.06223	16.3
129.07004	21.8
130.07776	8.5
131.08560	47.8
133.06491	6.5
133.10132	58.8
135.08075	13.0
135.11668	19.6
137.09608	12.0
141.06973	13.4
142.07774	28.9
143.08551	58.8
144.09332	7.2
145.06500	4.1
145.10101	69.6
147.08029	12.5
147.11685	22.4
149.09616	11.4
149.13213	7.1
151.07565	10.9
153.06990	5.8
154.07741	3.6
155.08548	23.9
156.09332	25.9
157.10109	71.6
158.10898	9.6
159.08043	6.4
159.11676	33.9
161.09624	6.1
161.13235	10.1
163.11174	12.8
165.05695	3.5
165.07013	10.8
165.09114	24.5
166.07651	6.4
167.08551	16.1
167.10651	26.1
168.09322	10.4
169.10120	41.0
170.10898	11.9
171.11656	49.3
172.08873	4.3
172.12250	3.6
173.09563	5.7
173.13242	31.1
175.11140	7.5
175.14801	14.6
179.08556	21.5
180.09319	8.6
181.10097	22.5
181.12267	8.9
182.10858	13.7
182.79092	3.3
183.11694	43.1
184.12404	7.5
185.13245	20.8
187.14799	11.4
189.12674	8.0
191.14217	8.8
192.09358	6.1
193.10124	18.6
194.10867	15.1
195.11691	27.6
196.12389	11.5
197.13176	31.9
198.13797	3.8
199.14833	20.6
201.16415	7.1
203.14214	8.9
203.17996	3.8
205.08510	5.5
205.10187	4.4
206.10947	5.7
207.11679	21.8
207.13747	10.0
208.12462	8.9
209.13248	33.3
210.13954	6.6
211.14806	16.3
213.16310	4.8
217.10020	4.4
217.15843	16.3
218.10968	5.3
219.11656	12.1
219.13631	4.5
220.12431	10.3
221.13211	19.5
221.15353	49.6
222.13820	6.7
222.15811	6.5
223.09718	15.1
223.14717	19.1
225.16345	5.6
230.41371	3.8
231.11578	10.7
232.12372	7.7
232.67244	3.9
233.13231	13.4
233.15390	10.0
234.14011	5.0
235.14774	14.2
237.16443	8.4
239.18082	8.0
243.17451	6.7
245.13269	13.1
246.13904	5.7
247.14809	12.6
249.16365	13.4
251.17990	6.3
257.13232	4.9
257.19083	8.1
259.14908	7.3
261.16394	14.9
263.17987	8.2
265.19559	11.0
269.19037	9.3
273.16226	5.6
275.17935	14.0
277.19412	10.8
282.19391	3.8
283.20502	13.4
287.17453	5.0
287.20288	6.3
289.19400	8.1
295.20441	5.4
299.20282	5.4
301.19336	5.2
331.23975	8.5
345.20563	6.8
347.23688	4.1
349.25256	7.0
353.24576	4.5
453.22336	5.0
488.31857	8.9
491.35007	8.3
502.33966	4.2
503.35248	6.8
565.40472	23.7
583.41388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02179	1.7
51.02372	1.8
53.03931	2.4
55.05496	14.0
57.01995	1.8
57.03427	2.1
57.07060	14.8
59.04992	4.0
65.03934	3.7
67.05499	26.1
69.03410	6.8
69.07060	17.9
69.61337	17.9
71.05006	2.8
71.26347	1.6
79.05479	21.2
81.06596	3.0
81.07042	35.7
83.04955	7.9
83.08603	11.7
85.06519	6.1
88.29394	1.7
91.05466	49.7
92.66001	1.9
93.07030	55.6
95.04948	14.9
95.08589	40.2
97.06512	5.2
98.20674	3.6
103.05466	4.7
105.07014	74.5
105.07723	3.9
107.07899	3.5
107.08576	42.5
107.09243	3.7
109.06519	11.3
109.10149	24.7
111.08090	2.7
115.05446	6.7
116.06251	2.4
117.07010	16.4
119.08561	89.5
121.06480	5.1
121.10133	53.5
123.08049	17.8
123.11700	7.9
125.06015	3.1
125.09536	2.5
128.06187	12.1
129.06967	15.5
130.07774	6.8
131.08553	32.6
133.06470	3.5
133.10107	36.2
135.08025	9.2
135.11676	14.2
137.09584	12.2
139.11172	2.9
141.06970	8.2
142.07762	23.6
143.08553	41.7
144.09340	6.0
145.10098	55.8
147.08006	16.9
147.11652	13.2
149.09604	10.0
149.13271	2.8
151.07503	14.7
151.11121	2.2
153.06943	6.1
154.07747	3.7
155.08514	18.2
156.09326	19.2
157.10104	56.4
158.10927	10.8
159.08105	3.8
159.11673	28.9
161.09624	7.0
161.13243	9.0
163.11119	9.2
165.07018	7.6
165.09068	34.3
166.07742	4.8
167.08568	10.6
167.10622	14.3
168.09309	8.3
169.10100	28.1
170.10909	8.5
171.11676	34.6
172.12393	1.9
173.09583	4.2
173.13228	24.4
175.11205	6.0
175.14815	8.3
178.07681	2.4
179.08501	14.8
180.09381	5.9
181.10112	19.6
181.12198	6.4
182.10907	7.4
183.11670	32.2
184.12468	7.1
185.09666	2.7
185.13246	18.5
187.11212	2.2
187.14780	7.3
189.12709	5.8
191.14301	8.2
192.09340	5.6
193.10086	18.6
194.10861	15.1
195.11621	26.2
196.12459	8.9
197.13249	20.8
198.14008	2.4
199.14795	13.7
201.12706	2.5
201.16403	3.2
203.08527	2.4
203.14256	13.6
205.08449	3.7
205.10100	5.5
206.10880	8.3
207.11685	18.4
207.13707	3.6
208.12482	9.1
209.13268	29.8
209.15289	3.3
210.14009	4.6
211.11124	1.8
211.14850	10.1
212.15717	2.4
213.12778	3.2
213.16293	2.5
215.14392	3.2
217.10060	3.5
217.15857	10.3
218.10916	4.1
219.11716	8.6
220.12527	5.2
221.13261	16.7
221.15384	65.1
222.13907	3.2
223.09535	3.8
223.14793	13.4
224.15582	2.5
225.16328	6.1
227.14238	5.3
229.10133	2.7
229.15800	2.3
231.11681	5.8
231.17345	3.1
232.12466	5.8
233.13220	11.6
233.15417	5.2
234.14001	3.7
235.14812	11.7
236.15598	3.4
237.16437	9.8
239.17889	2.3
243.11700	4.9
244.12355	3.7
245.13292	10.7
246.13997	5.8
247.14745	13.3
247.16983	2.2
248.15613	4.1
249.16368	10.7
250.17372	2.4
251.18039	5.4
253.19412	3.0
255.17636	3.4
257.13232	3.4
257.18927	9.3
258.13962	2.9
259.14667	4.3
260.15533	4.5
261.16418	10.4
263.17963	6.4
265.19595	9.0
269.19147	4.0
271.20581	2.5
273.16376	5.0
274.16837	2.0
275.17920	12.9
276.18472	2.2
277.19568	5.4
281.19003	3.6
283.20554	17.7
286.19379	2.5
287.20068	5.6
289.19415	4.6
291.21036	2.5
295.20572	3.9
297.22113	4.0
301.19193	3.9
307.20648	2.2
313.19122	2.1
331.24307	5.6
333.22394	2.2
343.24011	2.5
347.23605	2.4
348.24344	2.3
349.25244	10.4
351.56393	1.9
352.24023	2.3
357.25635	3.2
361.25461	2.5
375.26794	8.2
381.25626	2.0
389.11514	2.0
403.29947	5.2
491.34961	6.4
503.35208	5.9
504.81796	2.2
547.39020	4.2
565.40057	21.4
566.40472	2.3
583.41382	100.0
584.41852	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.05510	19.2
57.07068	9.1
59.04985	6.4
65.03930	3.7
67.05504	29.2
69.03425	7.9
69.07063	22.8
70.04162	12.0
72.65586	2.2
79.05486	26.7
79.47777	2.1
80.52245	2.1
81.06602	3.6
81.07050	41.9
83.04972	7.7
83.08609	11.4
85.06534	7.0
91.05472	49.7
91.69339	2.0
93.07036	61.2
93.87983	2.0
95.04959	15.4
95.08595	38.7
97.06539	5.5
98.20696	3.7
103.05489	3.0
105.07019	81.3
107.08585	52.7
108.08932	3.0
109.06504	10.5
109.10138	21.0
115.05450	7.2
116.06248	2.3
117.07018	23.4
119.08573	93.9
121.06504	6.4
121.10139	52.5
123.08054	17.8
123.11703	8.2
125.05968	3.4
125.09631	2.9
128.06184	14.1
129.07005	19.4
130.07767	7.6
131.08557	39.3
133.06462	4.2
133.10112	46.0
133.11017	3.8
135.08029	13.1
135.11670	18.6
137.09596	12.7
139.11209	4.8
141.06992	10.1
142.07787	23.8
143.08559	51.9
143.09651	4.4
144.09320	10.3
145.10112	61.5
147.08011	15.1
147.11659	17.2
149.09634	8.6
151.07552	15.3
151.11174	4.1
153.06995	6.1
154.07843	3.9
155.08528	19.3
156.09331	22.1
157.10106	56.9
158.10847	8.8
159.07999	4.4
159.11685	29.7
161.09663	7.1
161.13295	6.9
163.11194	8.0
165.06987	6.7
165.09091	31.2
167.08591	11.4
167.10687	18.7
168.09354	9.6
169.10120	35.6
170.10941	9.2
171.11674	35.0
172.12338	3.0
173.09619	5.9
173.13245	27.7
175.11166	3.2
175.14825	10.9
178.07741	2.3
179.08536	17.7
180.09328	7.0
181.10118	22.9
181.12222	10.1
182.10873	12.7
183.11673	32.7
184.12459	7.7
185.09702	3.0
185.13252	24.4
187.11140	2.6
187.14861	8.1
189.12733	4.6
189.16374	2.4
191.14261	12.6
192.09300	4.2
193.10132	17.5
193.11678	2.3
194.10893	15.4
195.11673	26.6
195.13376	3.4
196.12468	7.1
197.13208	20.6
199.14790	14.9
201.12675	3.4
203.08659	2.5
203.14267	14.8
205.10211	3.5
205.15753	2.4
206.10924	8.3
207.11717	23.4
207.13794	6.1
208.12505	8.4
209.13257	33.1
210.14034	5.1
211.14833	11.1
213.12817	4.6
213.16432	3.8
215.08531	2.2
215.14549	2.8
217.10149	4.7
217.15916	10.5
218.10905	5.3
219.11739	9.5
220.12492	7.1
221.13271	16.0
221.15407	60.7
222.14053	6.8
223.14847	16.2
224.15935	2.3
225.12785	3.1
225.16447	7.0
227.14095	2.8
229.10199	3.4
230.10831	3.1
231.11743	6.9
231.17365	2.9
232.12444	6.8
233.13280	13.2
233.15485	7.0
234.13901	5.8
235.14772	13.9
236.15607	4.8
237.16327	10.2
239.17931	5.3
243.11765	3.6
244.12471	2.4
245.13332	8.2
246.14037	5.1
247.14749	11.3
248.15613	5.5
249.16466	10.7
250.17012	3.4
251.18056	5.1
257.13214	4.7
257.19092	9.4
258.13962	3.0
259.14993	5.4
259.73495	2.7
260.15598	6.6
261.16443	13.8
263.18002	7.1
264.29672	2.2
265.19495	10.6
267.17377	4.1
269.19159	5.4
271.20651	2.8
273.16293	4.2
274.17081	3.4
275.17889	13.5
277.19547	4.9
277.54932	3.0
281.19098	2.8
283.20532	20.5
284.15662	3.2
287.17636	2.7
289.19525	5.3
293.18842	2.9
297.16241	2.8
297.22076	4.9
303.21011	3.8
307.20599	2.8
331.24280	9.5
347.24081	2.6
349.25217	8.6
352.24167	3.1
375.26871	6.2
403.29959	4.7
491.35245	7.8
503.35349	3.0
547.39026	2.6
565.40173	22.8
583.41412	100.0
584.41547	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	583.3987
Annotation	Camaryolic acid
Peak:m/z	Relative Intensity
53.03927	2.4
55.05505	8.9
57.07056	7.2
65.03941	1.8
67.05492	17.1
69.03433	1.6
69.07059	23.9
69.48631	14.0
69.49044	4.0
74.74979	1.5
79.05476	13.6
81.07046	36.3
83.08614	3.8
91.05466	19.9
93.07034	38.1
93.07595	2.6
94.07360	1.9
95.04957	4.3
95.08595	35.4
97.10177	5.2
98.20762	4.1
105.03396	1.6
105.07012	43.2
107.04937	1.9
107.08582	49.3
108.08894	1.6
109.06506	5.0
109.10142	26.9
110.99889	1.4
111.08053	2.6
111.11737	1.5
111.12492	1.6
117.07005	5.3
119.08564	43.7
121.06470	3.1
121.10123	23.3
123.08060	3.6
123.11693	27.3
129.06999	2.2
131.08565	7.1
133.10104	25.1
135.04442	2.2
135.08096	3.9
135.11673	97.1
137.02293	1.8
137.09607	1.9
137.13240	3.6
141.05421	1.9
143.08531	4.7
145.10106	12.6
147.07961	2.8
147.11664	47.0
149.09596	2.7
149.13264	4.4
150.54950	1.8
153.05438	4.4
155.03394	3.3
155.08554	2.0
157.10127	6.7
159.08015	1.8
159.11659	8.4
161.09630	2.9
161.13242	8.9
163.11221	1.9
165.05508	9.3
165.09193	4.0
167.07030	1.7
169.10115	2.6
171.11694	2.6
173.09608	1.9
173.13200	4.2
175.07556	1.7
175.11159	3.1
175.14813	4.6
177.09119	3.4
177.16321	3.1
185.13277	3.4
189.12743	2.0
189.16411	3.5
191.17900	5.8
193.08557	1.6
197.11684	2.1
199.14775	2.0
201.12666	2.5
201.16414	9.5
203.10721	2.3
203.17931	100.0
204.18422	1.6
205.08594	8.1
206.08908	2.4
211.11046	1.8
211.14882	1.7
213.12759	1.7
213.16180	2.0
215.10703	2.2
215.14148	2.7
221.15451	4.8
223.09651	12.3
231.13750	2.7
239.18022	1.7
245.15215	2.4
251.17749	1.8
267.21091	2.3
271.16693	2.1
273.22000	1.5
283.16919	1.9
287.16251	2.8
299.20117	2.9
301.21600	2.4
327.19568	3.0
345.20691	7.4
355.29807	2.1
361.28937	2.7
363.21735	4.0
375.21759	2.4
379.21237	1.9
379.29855	5.2
385.27567	2.2
397.49377	1.8
435.32501	8.5
443.27939	2.1
453.33868	4.3
461.30487	1.9
477.40710	12.9
479.31561	8.3
490.36050	6.4
497.32513	6.6
503.38535	4.5
521.40039	3.4
547.35962	2.0
548.40289	2.2
565.38092	6.6
583.40637	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	583.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02132	1.0
51.02368	1.4
51.29739	1.0
53.03939	6.3
55.01850	4.5
55.05504	24.6
57.03424	8.8
57.07052	1.1
59.04991	2.7
65.03931	1.8
67.05495	73.6
69.03416	18.1
69.07064	6.9
70.90440	3.4
71.04996	8.3
72.75446	1.1
79.05479	17.9
81.03404	83.7
81.07043	26.0
83.04971	17.6
83.08596	19.3
85.02887	18.0
85.06533	4.0
91.05469	25.9
93.07030	17.4
95.04954	20.6
95.08598	10.8
97.02867	11.0
97.06512	4.6
97.10161	10.2
99.04424	3.9
105.07024	15.3
106.20733	1.0
107.04937	8.0
107.08588	10.5
109.02876	14.4
109.06506	3.7
109.10142	48.3
111.04432	12.2
111.08058	7.4
113.06047	1.3
117.06976	2.9
119.04945	1.6
119.08569	16.2
121.06496	2.7
121.10143	6.3
123.04405	3.7
123.08064	1.8
123.11678	1.7
125.09612	10.0
127.03912	9.7
128.06146	1.2
129.05475	2.5
129.06953	5.9
131.04926	1.6
131.08563	8.6
133.06480	3.6
133.10124	6.2
135.08006	1.6
137.09610	3.9
142.07774	1.3
143.08589	1.5
145.06514	1.2
145.10139	3.0
147.04349	2.5
147.08029	2.0
147.11684	8.6
149.05968	1.4
149.09641	4.2
151.07552	1.2
155.10667	3.0
157.06459	1.5
157.10115	6.3
159.11688	1.3
161.06018	1.6
163.11183	2.7
165.12762	3.0
171.04419	1.1
173.11703	15.3
175.11172	9.3
187.07710	1.1
189.11185	5.5
189.12721	2.1
191.10704	2.0
193.12230	23.4
193.14012	1.4
199.11276	1.4
211.13266	37.7
211.15216	2.1
217.12318	1.3
221.11644	1.2
227.12627	5.8
229.14313	19.8
235.13322	3.1
238.18001	1.3
249.14772	2.1
263.12582	1.6
267.15866	13.4
273.14914	1.9
277.14316	4.8
279.46252	1.2
282.99442	1.3
283.15533	1.6
285.16953	4.6
291.15845	1.5
299.14777	7.4
301.14398	4.1
309.16934	3.2
319.15479	3.3
331.17743	2.0
337.16479	3.2
351.18301	2.1
355.17444	10.1
373.18542	3.7
375.18121	2.4
393.18976	2.5
403.24496	1.7
411.20114	3.8
421.25790	12.5
437.25595	1.4
439.07013	1.3
439.26834	17.8
455.26334	1.9
463.26843	2.2
491.26099	1.3
505.27908	10.6
517.27838	2.5
529.27832	3.7
547.29041	6.3
565.29846	11.6
580.70605	1.4
583.30994	100.0
584.31293	3.4
604.17133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.7
55.01859	4.5
55.05500	18.5
57.03424	8.0
58.73209	1.0
59.04985	1.9
64.21481	1.1
65.03922	2.8
67.05495	84.4
69.03423	16.8
69.07061	6.2
69.52142	4.7
69.52578	5.9
71.01334	1.5
71.04987	5.6
79.05476	15.7
81.03406	77.2
81.07043	25.3
83.04964	12.5
83.08610	16.5
85.02898	16.2
85.06532	3.3
86.38371	1.2
91.05472	20.8
93.07034	13.3
95.04955	18.2
95.08601	11.4
97.02884	11.2
97.06520	4.2
97.10157	6.9
99.04443	3.7
105.07017	9.9
105.87989	0.9
107.04920	6.5
107.08577	8.4
109.02866	14.1
109.06509	4.3
109.10142	53.3
111.04436	14.6
111.08047	6.6
113.05965	2.0
117.07021	2.1
119.08563	14.3
121.06516	3.6
121.10126	8.1
123.04422	1.9
123.08035	2.0
123.11691	2.0
125.05975	1.4
125.09640	4.9
127.03892	10.5
129.05484	1.3
129.06996	6.0
131.04897	1.7
131.08560	5.9
133.06563	1.4
133.10136	5.1
135.08023	2.8
135.11682	3.2
137.05957	2.2
137.09595	4.1
139.03938	1.5
142.07811	1.9
145.06421	1.6
145.10115	3.2
147.08034	2.7
147.11667	8.7
149.05984	1.4
149.09607	3.3
153.12698	2.4
155.10693	3.4
157.10069	5.2
161.09680	1.7
163.11151	2.6
165.12762	2.3
167.07076	1.2
171.11653	1.0
173.11734	16.2
175.11188	7.6
178.36032	1.0
181.12224	3.7
183.06567	1.2
189.11240	3.4
190.69530	0.9
191.10658	3.3
193.12215	23.5
201.07678	1.0
209.11635	1.4
211.13268	45.9
213.14799	1.3
217.12247	1.6
220.05397	1.2
227.12708	7.5
229.14337	17.8
235.13326	2.3
242.41898	1.0
245.11574	1.3
259.13135	1.0
263.12781	1.0
265.14746	1.1
267.15866	8.7
273.14920	1.6
277.14481	2.2
281.14047	1.4
285.17010	3.2
299.14874	5.0
301.14392	3.0
309.17142	2.0
319.15274	2.4
329.21353	1.2
331.17548	1.6
337.16544	2.9
337.85852	1.0
351.18127	2.0
355.17511	11.4
373.18536	2.5
375.18042	1.4
393.19104	1.6
403.24863	2.6
411.20230	6.5
421.25845	7.1
439.26855	19.2
449.86505	1.2
455.25980	1.8
463.26950	2.9
505.28021	3.0
517.27972	1.3
529.28009	1.8
535.29150	1.6
547.29327	3.8
565.29828	9.7
583.31061	100.0
584.31091	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	583.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12126	0.9
53.03938	6.2
53.38594	0.9
54.21037	0.8
55.01852	5.8
55.05247	2.0
55.05500	27.2
57.03427	10.7
59.04981	3.9
65.03924	3.7
67.05492	97.1
69.03416	17.1
69.07050	8.9
69.50790	9.4
71.01344	2.3
71.04986	7.9
71.59275	0.8
72.73975	0.9
73.02913	1.8
79.05481	27.8
81.03405	90.0
81.07043	34.0
83.01316	1.2
83.04967	17.1
83.08606	20.5
85.02892	19.9
85.06522	2.5
87.04454	1.7
88.27038	0.8
91.05467	26.5
92.74845	1.0
93.07033	19.4
95.04337	1.6
95.04952	25.9
95.08590	12.5
97.02882	16.1
97.06487	4.5
97.10156	13.0
99.04430	4.1
99.08077	1.5
102.79383	0.8
103.03918	2.0
103.05437	1.0
105.06352	1.3
105.07015	17.2
107.04942	11.6
107.08574	12.8
109.02871	14.8
109.06514	6.1
109.10139	71.0
111.04422	15.3
111.08054	8.8
113.05967	1.5
115.05457	1.9
117.06980	4.1
119.04914	1.9
119.08569	20.2
119.64005	1.0
121.06503	4.4
121.10113	9.7
123.04431	2.4
123.08067	2.6
123.11716	1.9
125.02268	1.1
125.05996	1.3
125.09595	12.2
127.03902	11.6
128.06203	1.5
129.05495	2.5
129.06990	9.7
131.04889	2.7
131.08553	10.2
133.06467	1.9
133.10110	7.7
135.04439	1.7
135.08060	3.4
135.11699	3.1
137.09622	5.3
139.03810	1.1
139.11285	0.9
141.06955	1.8
143.08572	2.2
145.06435	1.3
145.10162	4.7
147.04375	2.7
147.08026	2.9
147.11665	9.9
149.05980	3.2
149.09590	6.4
153.09074	1.9
155.08577	1.1
155.10655	3.7
157.10083	9.5
161.09641	1.6
163.11185	3.8
165.12769	1.6
171.11678	2.7
173.04388	1.3
173.05878	1.1
173.09537	1.6
173.11720	21.7
173.13074	0.9
175.11156	9.8
181.12212	2.0
189.11188	5.6
189.12744	3.0
191.10686	2.0
193.12213	26.2
199.11212	1.3
203.14297	1.1
209.11662	1.1
211.11250	2.3
211.13260	39.7
213.12753	2.2
213.14706	1.4
217.12314	2.1
221.11691	1.0
223.13286	1.5
227.12720	6.7
229.14333	28.4
231.13751	1.7
235.13248	2.7
249.14854	3.0
255.13681	1.2
257.13739	1.1
259.13147	2.3
267.15854	11.1
273.14862	2.9
277.14236	5.2
281.13834	2.2
283.15344	1.7
285.17010	6.0
299.14914	8.6
301.14243	6.3
309.16904	7.0
319.15424	3.2
331.17508	5.4
337.16492	3.8
351.18170	4.9
355.17487	10.5
373.18582	3.4
375.18039	3.4
393.19025	3.2
403.24625	1.8
411.19998	2.8
421.25800	14.8
437.24799	1.4
439.26801	26.5
440.26749	1.1
455.26511	1.7
463.26920	4.9
487.26581	2.2
505.27942	16.6
517.27911	2.6
529.27527	3.6
535.28943	2.5
547.29138	8.1
565.29840	16.9
583.31000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.1
51.02362	1.5
52.57905	0.8
52.97491	0.7
53.03941	4.8
53.75032	0.7
55.01871	4.4
55.05238	1.2
55.05505	21.0
57.03431	8.1
57.07055	1.1
59.04993	4.6
62.10849	0.7
65.03926	3.1
67.05496	82.0
69.03420	15.9
69.07053	6.0
71.01337	1.9
71.04980	7.4
71.81477	1.3
73.02909	1.5
79.05488	19.4
81.03406	76.4
81.07044	25.0
83.04969	16.7
83.05468	0.8
83.08605	17.2
85.02898	16.5
85.06538	2.8
91.05466	22.2
93.07038	13.4
95.04952	18.6
95.08591	10.2
97.02877	13.1
97.06524	3.4
97.10152	9.1
99.04408	3.9
99.08067	0.9
103.03902	0.9
103.63773	0.9
105.07019	13.1
107.04936	8.0
107.08574	10.9
109.02869	13.4
109.06530	4.0
109.10141	54.4
111.04442	13.1
111.08071	8.0
113.05974	1.3
115.05446	0.9
117.07000	3.1
119.04973	1.1
119.08569	14.2
121.06496	3.6
121.10123	7.3
123.04421	2.5
123.08044	2.0
123.11671	1.0
125.09644	6.3
127.03918	9.4
129.05443	1.9
129.07002	7.6
129.44763	0.8
131.04878	2.0
131.08536	6.7
133.06487	1.7
133.10138	5.5
135.04454	0.8
135.08063	1.6
135.11693	1.6
137.05962	1.3
137.09607	4.0
139.11148	1.4
142.07764	1.7
143.08495	0.9
143.10616	0.8
145.06502	1.0
145.10118	3.0
147.04492	1.0
147.08063	2.4
147.11673	8.4
149.05984	1.3
149.09621	3.6
150.84831	0.7
153.12772	1.0
155.08574	1.2
155.10703	2.8
157.10097	7.8
161.05946	1.0
161.09660	1.4
163.11194	3.3
165.12756	2.2
167.07074	2.0
169.10074	0.8
171.08260	0.7
173.06067	0.9
173.09557	1.7
173.11713	17.1
175.11168	7.2
181.12213	1.9
189.09364	0.8
189.11206	4.6
189.12735	1.5
191.10617	1.5
193.12225	23.6
193.13997	1.1
199.11252	0.9
211.13271	38.6
217.12260	2.3
223.13248	0.9
227.12769	7.4
229.14305	14.8
231.13890	1.2
235.13191	1.5
245.13885	1.5
267.15894	10.5
273.14886	2.1
277.14301	1.8
282.72910	0.8
283.15536	1.3
285.16968	3.7
299.14941	7.2
301.14282	4.7
309.17014	1.8
319.15460	2.6
329.21207	1.6
331.17609	1.7
337.16528	3.5
351.18243	1.6
355.17474	10.4
373.18607	3.3
375.18256	1.1
393.19064	2.2
403.24832	1.6
411.20160	3.7
421.25833	8.3
439.26843	17.9
455.26434	2.8
463.26874	1.6
487.26990	0.9
505.27899	5.1
517.28351	1.1
529.28003	3.1
530.83612	1.0
535.28912	1.4
547.28772	3.1
565.29999	9.9
583.31079	100.0
584.31500	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	582.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54441	1.8
53.03936	4.1
55.01858	3.7
55.05503	26.4
57.03431	17.8
57.07060	7.2
65.03922	4.4
67.05496	64.7
69.03415	5.3
69.07058	35.3
71.04993	6.4
78.80766	2.0
79.05482	36.3
81.03407	47.7
81.07044	86.9
83.04968	13.6
83.08182	2.8
83.08617	27.0
85.02892	18.1
85.06522	5.9
91.05464	41.9
93.07030	37.2
95.04957	22.5
95.08592	55.6
96.08914	1.9
97.02859	2.2
97.06505	6.1
97.10165	7.7
98.21428	3.6
105.07024	39.7
106.07336	2.0
107.04955	5.6
107.08584	20.2
108.71913	1.9
109.06504	6.1
109.10139	23.7
110.10444	2.4
111.08064	7.1
111.11739	2.0
115.05453	2.4
117.07008	5.9
119.08569	26.9
121.10118	21.8
123.08061	6.2
123.11653	9.9
129.06967	8.1
131.08559	14.8
133.06496	2.3
133.09187	2.8
133.10106	20.1
135.11633	9.4
137.09561	2.5
142.07825	3.4
143.08524	2.0
145.10098	8.0
147.08014	4.3
147.11670	18.4
149.09627	5.6
149.13254	4.1
153.62294	2.1
157.10133	12.2
159.08089	2.3
159.11674	4.9
161.13205	3.7
162.06770	2.1
163.11174	2.3
164.45663	1.9
165.12750	4.2
166.05847	2.1
166.68797	1.9
169.10188	2.7
171.11615	2.6
171.45065	2.2
175.11156	10.5
175.14792	3.4
193.12239	35.5
201.16440	4.9
203.17972	5.2
205.08611	7.2
206.08975	3.4
211.13242	45.0
219.17369	3.5
223.09554	9.6
224.09937	5.3
229.97690	2.6
263.23596	2.7
267.15891	13.1
285.16934	54.2
319.26151	2.5
337.27313	100.0
338.27670	2.0
345.20609	2.6
346.20764	2.7
441.26413	2.5
442.26443	9.7
529.38989	14.8
547.39929	88.3
548.40228	3.8
564.37494	12.2
582.40265	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	582.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01865	3.8
55.05505	26.4
57.03423	16.9
57.07060	6.0
59.72527	2.2
67.05494	61.0
69.03412	5.5
69.07058	26.3
71.04961	4.3
71.82121	3.3
79.05484	33.2
81.03408	50.1
81.07047	74.9
83.04982	14.4
83.08611	26.4
85.02888	23.6
85.06520	4.8
91.05468	45.7
93.07026	33.2
95.04957	24.3
95.08006	2.8
95.08598	46.4
97.06519	3.4
97.10148	7.9
99.08081	2.4
105.07013	35.4
107.04943	6.8
107.08580	23.5
109.06503	3.3
109.10137	18.8
110.10419	2.3
111.08065	10.8
117.06966	2.4
119.04984	2.2
119.08564	25.2
121.06510	3.3
121.10122	19.2
123.08050	5.0
123.11692	11.7
125.09628	3.3
129.06987	10.4
131.08517	17.0
133.10133	19.2
135.11667	9.7
137.09581	2.9
142.07724	4.0
145.10106	9.5
147.07990	4.5
147.11684	21.0
149.09599	6.7
149.13257	2.7
151.11179	3.5
153.05457	3.4
157.10101	13.7
159.11646	4.4
161.13112	4.2
163.11153	2.5
165.05440	8.2
167.07002	3.4
175.11137	12.3
193.12216	44.0
201.16338	6.2
202.16727	4.0
203.06953	3.0
203.17947	6.9
205.08586	15.4
206.08815	2.8
211.13258	79.0
219.10075	2.5
219.17419	2.4
223.09613	25.4
224.10008	6.2
245.22743	2.8
263.23831	4.2
267.15872	20.4
285.16925	86.0
285.20108	5.0
286.17361	3.2
287.16370	2.6
337.27325	100.0
343.18893	2.8
344.18893	2.7
345.20551	8.2
346.20819	5.9
442.26535	12.7
482.20273	3.6
529.38684	9.5
547.39856	71.9
564.37469	12.4
565.38525	2.6
582.39423	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	582.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
54.30212	1.0
55.01860	10.3
55.05499	7.3
57.03428	3.8
57.07055	1.8
59.05005	1.3
61.02911	1.9
67.05501	14.7
69.03422	13.3
69.07056	16.8
70.06573	2.3
71.04982	39.5
71.50108	2.4
73.02915	1.7
73.06551	2.6
79.05476	5.4
80.05006	2.5
81.03407	6.7
81.07046	8.9
82.02959	2.6
82.06565	17.2
83.04966	4.0
83.08621	1.1
84.04472	1.5
84.08140	1.1
85.02891	26.4
87.04428	1.1
91.05447	7.5
93.07026	12.4
94.06554	3.6
95.04955	5.0
95.08591	30.8
96.04445	1.7
97.02864	9.9
97.06520	1.8
98.06026	1.4
99.04456	2.3
105.07011	9.2
106.06526	2.0
107.04928	10.5
107.07367	1.3
107.08578	12.3
108.05733	12.8
108.08095	3.9
109.02866	2.7
109.05293	1.0
109.06496	4.6
109.10138	8.8
110.06027	1.8
110.09687	1.3
111.08055	1.2
111.11694	2.1
112.03951	1.2
117.07005	4.0
118.06512	1.2
119.08561	10.5
120.08072	3.6
121.06486	4.0
121.08847	2.3
121.10124	10.1
122.06008	4.0
122.09666	4.0
123.04427	5.1
123.08050	12.1
123.11730	1.2
124.04711	2.0
124.07613	1.9
125.09628	2.3
127.03904	17.0
128.04251	4.5
129.04337	1.7
129.07021	2.1
131.07343	1.9
131.08504	2.1
132.08095	1.6
133.10110	7.4
134.06795	1.0
134.09659	6.5
135.04378	1.8
135.08037	5.0
135.10706	1.1
135.11681	5.6
136.04735	2.8
136.07538	1.7
136.11176	4.5
137.09563	3.9
138.09163	1.4
139.03876	4.2
140.04216	2.5
141.04355	1.5
144.09335	1.3
145.04932	4.3
145.09042	1.7
145.10066	7.8
146.09642	6.2
147.04356	1.7
147.11647	2.2
148.07553	32.2
148.11169	4.9
149.09610	1.6
149.13254	1.3
150.09134	2.6
150.12730	2.1
151.03848	1.1
151.11159	1.3
152.10681	13.6
158.09608	1.1
159.07971	1.3
159.10548	1.2
159.11652	6.2
160.11186	3.2
162.09119	1.3
162.12744	4.4
163.03848	4.1
163.11168	9.3
164.10686	19.9
164.11905	1.6
165.04276	1.4
165.12764	2.7
166.08629	3.7
174.12732	3.9
175.11166	1.2
176.14304	3.4
177.12729	3.0
178.12244	18.3
180.13754	2.4
182.11705	1.3
184.09685	2.5
184.75688	1.0
186.12762	1.9
187.11234	1.2
191.03352	1.1
192.13811	7.6
193.12189	2.0
204.13802	18.3
205.12149	3.5
206.15508	1.1
210.14871	6.7
222.14862	56.6
223.15382	1.3
224.16324	1.1
229.63710	1.1
240.15906	100.0
241.16197	1.7
254.10692	1.1
257.04053	1.2
258.16998	2.3
271.05850	1.3
272.06335	1.7
290.06470	1.6
372.20337	1.8
384.20023	4.5
402.16406	1.8
402.21194	22.5
411.09274	1.4
412.10022	1.7
420.22144	4.3
582.54205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01848	1.7
55.05503	11.5
56.05026	0.6
57.03411	2.5
57.07057	1.0
58.06574	1.7
59.04974	1.1
61.02907	2.2
63.80562	0.5
64.84565	0.6
65.03932	1.6
67.05495	22.7
69.03423	6.9
69.07063	3.7
70.06572	1.6
71.04687	0.6
71.04986	6.8
71.55561	0.6
71.77077	1.1
72.09157	0.5
79.05476	5.4
80.05009	2.3
81.03387	2.3
81.07052	5.2
82.06567	34.9
83.04968	4.9
83.08621	0.7
84.08120	0.8
85.02894	17.8
91.05463	6.9
93.07030	12.0
93.08018	0.6
94.06561	3.6
95.04950	4.5
95.08591	54.9
96.08115	1.4
97.02886	4.5
97.06526	1.4
98.06029	1.1
99.04448	1.5
100.07586	1.1
105.07013	8.5
106.06545	1.5
107.04918	1.3
107.07341	1.5
107.08578	11.8
108.05743	0.8
108.08126	4.3
109.02859	2.5
109.06522	2.9
109.08865	0.7
109.10126	4.0
110.06017	1.5
110.09634	0.8
111.08054	2.1
112.07555	0.7
117.07008	2.5
118.06518	1.1
119.08561	14.7
120.08084	3.3
121.06474	1.9
121.08855	1.9
121.10119	10.3
122.06023	1.3
122.09657	6.8
123.04428	1.1
123.08054	11.3
124.07563	2.1
124.11214	1.0
125.09562	0.9
127.03889	7.3
128.04242	1.7
128.06186	0.8
129.07022	0.8
130.07784	1.2
131.07298	2.3
131.08534	2.8
132.08090	2.7
133.08969	1.3
133.10098	7.1
134.09625	8.9
134.31781	0.6
135.04442	1.2
135.08055	1.6
135.10458	1.5
135.11671	6.1
136.07610	1.4
136.11198	7.8
137.09584	1.9
138.09093	1.7
139.03868	1.3
140.10687	0.7
143.08536	0.7
144.08041	1.7
145.04935	2.6
145.08937	1.2
145.10091	5.3
146.09618	7.3
147.07938	0.7
147.10440	1.3
147.11652	2.2
148.07561	5.1
148.11177	8.0
149.09589	1.5
150.09148	0.9
150.12770	2.2
151.11172	2.5
152.10689	25.1
154.08565	0.6
157.10040	0.9
158.09653	1.2
159.10522	1.3
159.11662	3.4
159.79903	0.6
160.11182	4.4
161.09535	0.7
161.12041	1.0
162.09100	1.3
162.12749	7.1
163.03882	4.1
163.09953	1.0
163.11168	7.5
164.04178	0.7
164.10690	11.0
164.11958	1.2
164.14349	0.9
165.12747	0.7
166.08577	1.2
171.10341	0.7
172.24240	0.6
174.12727	4.1
175.11221	0.8
176.10649	1.4
176.14304	6.6
177.12737	1.6
178.12238	16.7
180.13802	3.6
181.12239	1.0
182.11748	1.7
184.09714	1.2
186.12730	1.7
187.11209	0.8
192.13802	9.0
194.15434	1.2
204.13803	13.2
205.12198	1.5
206.15315	1.6
210.14850	5.7
222.14861	56.8
223.15245	1.7
224.16409	1.9
230.04341	0.6
240.15913	100.0
241.16371	1.5
248.06381	0.6
258.16940	1.0
288.05676	0.9
294.09149	0.6
354.19171	1.5
372.20016	2.4
384.20111	5.7
402.21185	35.0
403.21494	1.1
420.22345	8.0
582.54553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17013	1.1
52.50906	0.8
53.03931	2.5
55.01867	1.8
55.05232	1.0
55.05503	15.7
57.03425	2.5
57.07074	1.5
58.06581	1.6
61.02908	1.8
65.03934	2.8
67.05495	32.2
67.63067	0.8
68.05017	1.4
69.03415	9.5
69.07066	4.4
70.06580	1.6
71.04973	7.6
71.79664	1.1
71.80087	1.6
73.02889	1.1
74.49497	0.8
79.05481	6.8
80.05005	2.4
81.03413	4.6
81.07042	8.5
82.06567	49.7
83.04986	4.4
83.08594	1.2
84.04484	1.4
84.08128	1.3
85.02890	24.8
85.06526	1.0
91.03918	1.0
91.05462	11.8
93.07033	16.9
94.06564	4.6
95.04961	2.9
95.08592	68.4
96.08147	1.6
96.08881	1.1
97.02871	7.3
97.06499	2.4
98.06052	1.7
98.90408	0.8
99.04446	2.5
100.07624	1.7
105.07016	12.5
106.06548	2.7
107.04945	2.3
107.07320	1.8
107.08566	17.7
107.09235	1.5
108.05762	0.9
108.08101	5.8
109.02872	2.5
109.06500	4.4
109.10162	4.6
110.06056	1.4
110.09629	1.1
110.44976	0.9
111.08089	3.0
117.05637	0.8
117.07014	3.2
118.06552	2.0
119.04989	1.1
119.08563	16.9
120.08102	4.5
121.06517	2.3
121.08881	2.6
121.10119	9.4
122.06061	1.3
122.09629	6.9
122.60483	0.8
123.04434	4.8
123.08045	14.7
123.11697	1.1
124.04755	2.7
124.07584	2.5
124.11241	2.2
126.09161	0.9
127.03896	17.3
128.04234	4.8
128.06194	1.2
129.04379	2.7
129.07018	1.8
130.07806	1.2
131.07263	2.8
131.08557	3.6
132.08083	3.0
133.09084	1.3
133.10107	8.3
134.09613	10.9
134.10468	1.2
135.04413	3.9
135.08017	2.6
135.10675	1.3
135.11665	7.9
136.04750	1.9
136.07567	1.8
136.11176	10.0
137.06027	1.1
137.09612	2.5
138.09114	1.8
139.03877	6.2
140.04233	3.5
141.04454	1.3
142.07742	1.2
144.08066	1.3
144.09274	1.0
145.04939	2.7
145.08875	2.3
145.10103	6.2
146.09622	9.8
147.04422	2.7
147.07942	1.0
147.10481	2.1
147.11676	2.6
148.04735	1.0
148.07581	4.7
148.11205	11.5
149.09593	2.4
150.09157	2.2
150.12730	2.2
151.03912	1.2
151.11125	3.3
152.10678	28.6
157.10083	1.4
158.09509	1.0
159.10464	1.7
159.11671	5.8
160.11200	6.3
161.09718	0.9
161.12042	2.1
162.09126	1.1
162.12755	11.2
163.03882	7.1
163.11162	9.8
164.04239	2.8
164.10698	14.3
164.12024	1.0
166.08670	1.4
166.12144	0.9
171.10492	1.1
174.12727	4.8
176.10645	1.2
176.14330	5.4
177.12732	2.2
178.12233	21.8
179.12964	1.1
180.13808	3.5
181.12180	1.2
182.11749	2.0
186.12781	1.3
187.11223	1.2
187.13399	1.0
192.13799	10.0
194.15453	1.2
204.13811	17.0
205.12189	1.5
206.15366	2.5
210.14835	8.5
222.14856	90.0
223.15443	1.0
224.16408	2.3
240.15913	100.0
241.16379	1.0
248.06238	1.1
258.17059	3.1
274.06879	1.0
277.06030	1.1
288.05716	1.1
289.06317	1.7
292.08759	1.6
303.07822	1.0
354.18930	1.8
357.04044	0.8
372.20255	4.3
384.20010	8.7
402.21173	31.3
411.09583	2.2
412.09927	1.9
420.22275	8.7
582.27625	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02378	2.9
55.01875	3.6
55.05494	12.5
57.07065	19.1
67.05494	29.1
69.07054	34.6
69.57312	7.6
69.57729	15.8
70.96536	2.3
71.04974	6.7
71.08616	2.7
73.05930	2.1
77.03891	3.4
79.05476	19.1
81.07046	87.6
82.07413	2.7
83.01328	6.5
83.04965	22.0
83.08603	7.1
85.06521	5.3
91.05447	25.5
93.07035	44.9
95.04977	5.7
95.08591	63.7
97.06506	5.7
97.10123	5.5
105.07011	49.5
106.07324	2.7
107.04914	3.4
107.08577	60.7
109.06473	6.1
109.10130	61.8
111.11743	3.0
113.05981	2.7
117.07003	10.5
119.08572	34.7
121.06475	8.3
121.10134	53.1
123.08067	5.5
123.11691	58.1
128.06105	2.8
129.06949	4.3
131.08556	21.0
133.10104	31.3
135.08054	11.2
135.11664	50.7
137.05954	4.3
137.13216	21.0
143.08565	6.9
145.10104	51.5
147.08086	3.0
147.11682	17.7
148.12027	5.0
149.09627	9.3
149.13261	3.9
153.05444	36.2
157.10127	6.6
159.08043	8.3
159.11681	26.9
161.06065	4.1
161.09543	4.9
161.13251	11.9
162.06755	6.3
163.07527	9.2
163.11154	23.2
163.14761	4.7
165.05458	56.0
165.16417	3.3
166.05789	3.0
167.07053	13.8
167.08325	2.9
171.11674	2.9
173.13283	9.0
175.07558	3.0
175.14850	15.7
177.05402	7.5
177.09077	20.7
177.16354	5.0
179.07045	3.4
183.11584	2.5
185.13322	2.9
187.07562	6.3
189.16275	3.7
191.06964	4.5
191.17883	15.4
193.08553	3.7
199.14818	6.0
201.08995	3.8
201.16354	50.7
203.06985	13.4
203.10593	2.9
203.17979	19.1
204.18295	5.1
205.08571	76.1
205.10487	5.1
207.10315	2.4
208.12488	2.8
217.08635	7.3
219.10106	21.7
219.17397	54.5
221.08087	4.2
223.09624	100.0
231.10123	2.6
233.11722	2.6
237.11171	26.6
243.10356	3.2
271.13464	2.7
273.14798	5.3
275.13211	2.3
275.16391	5.5
285.14795	2.9
287.16379	25.4
287.27341	2.4
300.35190	3.5
325.18036	3.5
327.19510	4.9
337.37393	2.7
341.21115	2.9
341.28308	7.2
343.19064	14.6
345.20609	46.0
353.21091	15.5
357.20453	5.5
359.22076	7.0
359.29431	11.4
371.22134	38.4
373.23721	4.5
413.26715	6.8
423.25211	6.2
427.28659	7.4
441.26285	41.0
475.32083	6.9
493.32971	9.1
495.34616	3.0
511.33734	3.2
545.36145	6.5
563.37207	44.6
581.38727	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	581.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.05503	19.1
57.03424	4.8
57.07070	15.4
59.62095	3.4
67.05498	39.8
69.03419	4.8
69.07059	55.5
71.04979	12.5
71.08601	5.7
72.36115	3.2
73.92345	3.0
79.05473	31.6
81.07050	99.9
83.01328	4.9
83.04951	3.9
83.08610	16.3
85.06523	4.3
91.05462	33.5
91.05968	3.1
93.07032	67.2
95.04950	8.8
95.08598	63.4
97.06500	6.8
97.10172	7.3
105.07018	64.0
107.08582	79.4
109.06513	14.0
109.10144	71.5
111.11697	3.6
113.06003	8.6
117.07025	19.9
119.08569	51.4
121.06484	11.8
121.10121	70.6
122.10502	4.4
123.04424	3.1
123.08041	11.4
123.11691	86.9
125.09592	8.0
127.11131	3.2
129.06970	7.0
130.07846	4.0
131.08563	27.5
133.10114	35.8
134.10469	3.6
135.08049	18.2
135.11681	64.6
137.09598	4.5
137.13255	15.6
139.11186	8.5
143.08565	12.4
144.09319	5.9
145.10101	73.4
146.10597	3.3
147.08026	5.6
147.11642	22.0
149.05971	3.7
149.09618	10.6
149.13240	13.4
153.05453	11.3
156.09314	3.4
157.06407	3.0
157.10149	13.6
159.08018	8.5
159.11696	47.3
161.09650	7.6
161.13222	21.4
163.07509	8.6
163.11157	13.3
163.14734	5.2
165.05481	38.5
167.07069	16.5
169.10164	7.2
171.08046	4.7
171.11597	5.1
173.09616	6.8
173.13283	11.8
175.14850	8.1
177.05455	5.6
177.09053	19.8
177.12674	5.1
177.16370	7.7
179.07095	6.8
181.08620	3.9
181.15816	15.8
183.11700	5.7
185.09576	5.1
185.13171	4.2
187.07567	7.7
187.14720	4.7
189.16293	6.4
191.07024	7.4
191.17940	11.9
197.13191	4.4
199.07549	5.1
199.11140	5.0
199.14854	8.8
201.16377	70.6
203.06981	9.5
203.17963	12.9
205.08582	69.5
215.06912	4.5
217.08473	3.6
219.10106	7.5
219.17438	49.0
221.08087	6.0
223.09602	84.3
229.08551	4.4
237.11177	5.7
237.16341	6.8
237.18480	32.2
247.23964	3.5
287.12845	5.4
287.16382	11.3
307.16681	3.3
325.18207	8.0
327.19473	6.0
335.20068	3.2
343.19003	27.8
345.20569	91.5
346.20871	3.6
353.21216	15.6
355.22595	5.2
357.20602	6.1
371.21979	7.1
389.23315	11.6
407.32886	4.7
422.32559	3.7
423.25159	18.2
425.34174	5.7
427.24570	7.8
441.26273	76.9
459.27209	8.9
475.31790	4.8
493.33112	7.7
527.35400	5.8
531.39447	4.3
545.36292	17.5
563.37183	100.0
564.37463	4.4
581.38605	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	6.4
57.03432	1.6
57.07069	11.6
65.03923	3.0
67.05486	13.6
68.48749	1.5
69.07068	21.0
71.05002	7.7
75.87338	1.8
79.05484	13.7
81.07047	30.3
82.76283	1.4
83.01325	2.8
83.08594	4.4
91.05466	22.6
93.07034	33.6
95.04952	5.7
95.08596	33.3
95.80829	1.4
97.06478	1.4
97.10121	1.6
99.17993	1.2
105.06345	2.1
105.07021	37.4
107.08582	45.3
109.06514	4.3
109.10141	22.2
111.04424	2.9
111.11707	1.9
113.35743	1.5
117.07001	7.1
119.08563	29.6
119.68702	1.4
121.06540	2.9
121.10136	29.2
123.03518	2.2
123.04414	45.2
123.11699	41.0
124.11956	1.7
125.05984	2.1
129.07050	1.6
131.08542	8.6
133.09174	2.7
133.10118	36.6
135.08003	4.1
135.11678	62.8
137.05920	3.6
137.13229	8.4
139.03882	2.3
141.75821	1.7
143.08562	5.8
145.06421	1.6
145.10094	14.2
147.11665	59.0
149.05954	2.9
149.09616	1.4
149.13217	3.8
151.03885	5.9
153.05428	5.4
155.08553	3.4
157.10121	4.1
159.08191	1.5
159.11662	8.5
161.13214	8.5
163.07512	4.8
163.11201	4.0
163.14761	2.2
165.05461	34.2
167.07034	31.4
167.08492	2.2
169.04927	5.3
169.10022	2.2
171.11693	2.3
173.09558	3.9
173.13239	3.4
175.07578	1.6
175.14815	4.8
177.05493	1.9
177.09102	10.7
177.16345	5.5
185.13184	2.9
189.16376	5.9
191.06924	2.2
191.10629	6.0
191.17911	4.2
193.08582	8.0
195.10135	2.5
199.11166	1.3
199.14769	4.3
201.09090	3.9
201.12582	1.7
201.16379	18.8
203.07010	2.4
203.17924	100.0
204.18285	2.0
205.08522	5.7
209.13370	2.2
213.12724	1.4
217.15775	2.2
219.10146	57.9
219.17488	2.5
221.08125	2.5
221.11688	20.4
223.09628	4.7
227.14301	3.7
231.13777	1.9
237.11191	90.8
239.09108	42.6
243.13722	2.8
243.17551	1.7
245.15303	4.7
255.13651	1.8
257.15411	3.8
259.13290	5.6
267.20993	1.4
269.15445	2.1
271.17014	1.8
273.14777	4.7
287.16351	5.4
289.17877	2.4
291.15808	3.3
305.17401	6.0
311.19916	2.8
323.16321	1.8
323.19940	2.4
327.19498	2.1
329.21060	4.3
339.19522	5.0
341.21021	4.5
343.18900	4.5
343.22604	3.3
345.20822	2.2
357.20657	2.7
359.18201	2.2
359.22266	6.8
361.20010	21.2
361.24210	2.6
373.19745	1.6
373.23889	2.1
379.21149	28.9
409.23703	7.3
411.25238	3.4
423.29050	13.6
427.24133	6.9
429.26419	16.2
447.32449	4.9
461.30344	2.2
475.32108	4.1
493.32724	4.5
495.34735	11.1
517.36603	10.8
518.84619	1.7
519.37994	3.8
545.36145	6.4
563.36859	13.6
581.39099	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	581.1857
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
50.83685	0.8
53.03936	1.7
55.01860	1.5
55.05511	1.3
57.03431	5.9
58.55412	0.8
61.02911	1.1
61.50180	0.9
62.29884	0.8
67.01844	1.7
68.99783	1.6
69.03416	7.9
70.06570	1.4
71.04983	47.1
71.07926	2.5
73.02921	1.8
75.04469	2.6
79.05480	1.1
81.03399	2.6
82.51488	1.1
83.04963	2.7
85.02892	57.4
86.09693	1.3
91.05471	1.7
93.07021	0.9
95.04974	1.5
95.08588	1.1
97.02892	4.8
99.04436	3.7
99.94881	0.8
103.03928	2.4
105.07024	1.5
107.04935	3.2
107.08587	1.0
109.02846	2.5
111.04398	2.4
119.04927	3.7
121.02842	1.6
121.06467	1.3
123.04433	4.1
127.03909	7.1
129.05461	16.5
135.04398	2.9
137.02321	1.7
137.05952	1.3
139.03807	0.9
145.04944	2.3
147.04391	22.8
147.06409	4.2
151.03918	1.6
153.01807	44.5
154.02141	0.9
163.03975	1.7
163.07449	1.5
165.01814	3.8
166.08511	0.8
167.07057	3.3
171.02879	20.7
177.01814	3.1
177.05449	1.1
179.03387	1.8
179.07036	1.4
181.04953	1.6
183.02835	5.5
187.03889	1.0
191.03342	5.0
194.86766	0.9
195.02881	22.8
203.03358	1.1
204.01787	0.8
207.02666	0.9
209.08014	1.0
213.03955	1.0
219.02867	9.2
231.02815	3.0
237.04138	0.9
245.04446	4.7
249.03999	1.3
255.06447	1.1
257.04599	1.1
260.03143	12.9
261.03860	3.5
263.05487	5.3
273.07538	100.0
274.07880	2.6
275.02469	1.9
275.05466	39.9
277.09317	1.0
281.06549	2.9
285.07520	4.7
297.08005	4.0
303.04871	1.7
315.08633	12.1
315.54819	1.0
339.08661	11.1
343.08145	1.1
351.08578	1.3
365.10199	2.9
369.09442	1.1
377.73181	0.9
381.09518	2.2
383.11176	6.7
387.10703	1.5
399.10614	3.9
401.12100	1.6
417.11685	4.9
419.13287	3.7
435.12924	4.0
544.54810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53693	0.2
53.03934	0.6
55.01840	0.4
55.05486	0.4
57.03419	0.3
61.02906	0.5
67.05491	0.9
69.03420	1.9
69.07053	0.8
70.06576	0.3
70.94310	0.7
71.04972	0.7
73.02892	0.7
79.05469	1.0
81.03406	2.2
81.07028	1.0
83.04950	0.2
83.08613	0.3
85.02900	5.8
86.09689	0.2
89.03906	0.2
91.05453	0.9
93.07035	0.7
95.04942	0.5
95.08603	0.5
97.02327	0.3
97.02892	3.9
97.06514	1.0
97.10151	0.2
99.04447	3.2
99.14734	0.3
99.29881	0.2
99.91736	0.2
103.03930	4.8
103.05430	0.3
105.07014	1.0
107.04939	0.5
107.08573	0.5
109.02852	1.9
109.06461	0.2
109.10162	0.4
115.05428	0.4
115.07592	0.4
116.50118	0.2
117.07010	0.6
119.08580	0.4
121.06425	0.2
121.10085	0.3
123.04413	0.7
127.03905	9.7
127.04848	0.5
128.04230	0.3
131.04836	0.4
131.08580	0.5
133.02869	0.3
133.10146	0.4
135.04366	0.4
135.11714	0.3
137.02328	0.5
137.05951	0.7
137.81131	0.2
143.04884	0.4
145.04953	3.4
145.06169	0.4
147.04404	0.4
147.11707	0.3
149.06029	0.3
149.09570	0.3
151.03879	0.9
151.07501	0.3
153.05435	0.3
154.02594	0.4
159.07985	0.3
160.05202	0.3
161.06001	0.2
162.06828	0.3
163.03871	0.5
163.05980	1.4
167.07002	1.4
173.06007	0.6
176.04669	1.2
177.05360	0.5
181.04932	0.8
187.03909	1.6
187.05994	0.8
189.05377	0.2
190.15172	0.2
191.07019	0.2
193.08493	0.2
201.05482	0.6
203.03389	0.6
203.17920	0.5
204.04193	0.5
214.02655	0.3
215.03365	1.4
229.04951	1.9
231.02887	0.7
232.03671	3.4
233.08179	0.3
243.02827	0.9
244.03676	0.3
247.05853	0.3
257.04407	0.6
260.03149	17.2
261.03494	0.4
269.17584	0.4
270.17780	0.4
271.08185	0.4
273.18365	0.3
274.18924	0.2
275.05472	100.0
276.05838	3.0
287.05432	1.1
288.06137	0.3
294.09055	0.3
294.26462	0.2
313.07037	0.2
317.06534	2.0
341.06607	0.5
365.23169	0.5
366.23459	0.5
383.07745	1.5
449.72379	0.2
551.18762	0.6
581.20245	0.9
581.30109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02910	1.9
52.44221	2.4
53.03927	5.1
54.50270	2.4
55.05498	24.5
56.90760	2.0
57.03430	13.8
57.07053	7.2
60.25850	2.3
65.03941	4.8
67.05150	4.2
67.05492	64.1
69.03417	3.5
69.07056	36.7
70.01405	9.6
70.01826	3.6
70.07390	3.3
71.04971	5.9
71.08627	2.6
79.05479	48.8
81.03403	36.7
81.07040	80.9
82.07393	2.1
83.01373	2.6
83.04967	11.3
83.08607	25.2
85.02899	13.3
85.06519	5.2
91.05465	41.7
92.05784	2.2
93.07031	71.9
94.07371	3.0
95.04956	19.6
95.08593	43.6
96.08923	2.1
97.06516	9.5
97.10140	6.4
99.08071	4.5
105.07008	39.2
106.07353	3.6
107.04956	5.2
107.08575	40.8
108.08952	3.1
109.06506	8.4
109.10134	22.9
111.08067	7.8
112.67547	2.2
117.06988	8.1
119.08549	32.9
120.08897	2.5
121.06508	4.9
121.10135	34.9
122.10432	2.8
123.08011	4.8
123.11689	13.3
129.06985	8.3
131.08549	21.4
133.10109	24.2
134.10451	3.0
135.11671	20.5
136.12048	3.1
137.06000	2.5
142.07730	2.8
143.08556	3.2
145.10123	11.3
147.08035	4.4
147.11671	23.5
148.11990	3.3
149.09589	5.9
149.13229	8.1
151.11221	3.2
157.10091	13.7
159.11679	8.8
161.13205	7.4
163.11182	5.5
165.05449	5.2
169.04973	8.1
173.13225	2.9
175.11153	10.6
177.09145	2.5
179.14281	12.6
180.18394	2.0
187.07550	2.7
193.12231	31.1
197.03987	2.0
199.14810	3.0
201.16360	8.6
202.16748	4.1
203.06926	3.4
203.17950	14.9
204.18315	8.8
205.08546	5.7
211.13261	45.8
217.08633	3.2
218.08972	2.5
219.10265	6.1
219.17413	2.7
221.08113	3.4
223.09648	7.0
235.09647	3.6
236.09915	2.3
237.11169	5.9
238.11418	2.4
243.20982	4.7
261.22119	4.2
267.15836	12.8
269.17499	14.4
277.21530	7.7
282.32504	2.0
285.16925	44.1
289.14398	2.2
291.15881	3.1
292.16370	2.3
298.15152	3.0
317.25000	2.5
335.25723	88.4
336.26059	4.2
340.19617	2.3
343.19012	3.4
344.19415	2.1
345.20520	3.6
351.25427	2.8
357.20401	4.9
358.20871	8.2
371.21927	2.8
375.21625	5.3
376.22015	7.7
377.22626	3.2
439.28598	4.3
440.28986	14.3
527.37213	10.9
544.38208	4.7
545.38281	100.0
546.38599	7.6
562.40155	14.5
563.37335	4.2
580.40540	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	580.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
55.01851	2.3
55.05272	1.5
55.05503	17.7
56.05823	1.3
57.03422	8.2
57.07053	5.0
59.29329	1.2
60.19103	1.2
64.69289	1.1
65.03910	2.1
66.94086	1.4
67.05147	2.3
67.05495	40.9
68.05792	1.2
69.03423	3.1
69.07056	28.1
69.72178	11.1
70.07402	1.4
71.04980	3.3
79.05482	25.7
81.03408	2.7
81.07044	61.3
83.04958	3.8
83.08613	13.0
85.06496	2.5
91.05471	13.9
92.05806	1.7
93.07027	33.9
95.04958	5.9
95.08591	50.1
95.09204	2.8
96.08934	1.9
97.02876	2.5
97.06506	3.8
97.10155	4.8
99.04453	2.5
105.07015	20.1
106.07350	2.0
106.19452	1.2
107.04935	4.0
107.08577	31.1
107.79539	1.4
109.06500	4.0
109.10139	16.8
110.10463	1.5
111.04438	1.5
111.08044	2.5
111.11705	2.5
114.41370	1.4
117.07000	7.0
118.96550	1.4
119.08570	16.6
120.08878	3.2
121.06496	6.0
121.10123	20.7
122.10440	1.4
123.08018	2.0
123.11676	16.2
124.11999	1.6
125.06022	1.2
125.09606	2.0
127.11097	1.5
129.69484	1.3
131.08562	6.5
132.08846	1.9
133.10101	11.6
134.10463	1.7
135.08032	3.7
135.11674	38.8
136.11992	1.4
136.23611	1.3
137.09593	1.5
137.13232	2.5
143.08562	3.2
145.10100	21.8
146.10443	2.1
147.08084	1.7
147.11649	7.7
148.12062	1.6
149.13248	3.5
153.05402	2.2
155.08522	1.8
157.10139	2.4
158.43216	1.3
159.11679	6.2
160.73366	1.5
161.09608	1.5
161.13223	4.1
162.06685	1.4
163.07445	1.9
163.11160	33.2
163.14841	2.6
164.11536	1.8
165.05435	3.9
166.16759	1.3
167.07047	1.7
169.04904	1.3
173.09578	2.2
173.13171	1.9
175.14809	2.7
177.09041	2.9
181.12158	4.0
189.09065	1.6
191.17860	2.8
201.16356	10.3
202.16710	2.0
203.06999	5.8
203.17934	5.7
204.07312	1.5
204.18402	1.7
205.08615	7.9
217.08545	1.3
217.15794	2.4
219.10106	1.3
219.17390	7.4
220.10371	1.3
221.08064	5.4
223.09608	12.5
224.15944	1.2
227.12738	44.2
228.12979	1.5
237.11154	1.8
237.18468	3.5
238.11298	1.4
256.71475	1.3
283.15372	38.2
284.15768	1.5
287.16428	1.5
288.17090	1.3
335.20667	1.5
337.27325	100.0
338.27603	4.8
343.18872	3.2
345.20435	7.8
357.20847	1.7
358.20605	1.7
390.85764	1.4
411.25385	1.4
420.32956	1.4
423.25000	2.0
427.24789	1.5
440.24966	1.4
441.26300	9.6
530.39124	7.3
545.38293	61.9
546.38513	4.3
548.39728	2.5
562.36115	3.8
563.37134	9.6
580.36603	3.4
581.38794	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01872	13.3
55.05272	2.4
55.05506	28.3
57.03163	2.0
57.03432	27.4
57.07062	2.3
61.02917	12.1
64.41844	1.6
65.03935	3.5
67.05497	85.9
69.03424	11.1
69.07063	46.7
70.60082	6.6
71.01339	3.2
71.04983	9.6
73.02901	5.0
73.46251	1.9
79.05483	54.0
81.03407	21.6
81.07046	87.0
83.04964	15.0
83.08609	20.3
85.02895	17.4
85.06541	9.8
87.04455	2.0
91.03945	6.0
91.04922	3.4
91.05468	52.9
93.07036	47.8
95.04967	20.8
95.08594	53.8
97.02874	11.0
97.06516	25.1
97.10147	9.1
99.04410	2.2
103.03966	3.1
105.07024	42.2
107.04937	13.6
107.08583	27.6
109.02856	4.4
109.06499	7.0
109.10149	38.3
111.04445	3.9
111.08086	9.5
115.05431	1.8
117.06998	11.9
119.08569	32.8
121.06464	6.8
121.10143	19.7
123.04418	4.8
123.08060	10.1
123.11697	7.8
125.09612	9.0
127.03918	13.8
128.04268	2.6
129.05453	4.5
129.06981	7.9
131.08563	19.3
133.06453	3.3
133.10112	30.7
135.08020	4.5
135.11700	18.9
137.09604	11.2
139.03889	4.2
139.11145	2.4
143.08519	3.9
145.04988	1.7
145.06488	2.6
145.10098	19.1
147.07967	2.6
147.11667	16.7
149.09621	17.8
149.13239	4.6
151.10033	1.5
151.11111	7.9
155.08577	2.5
155.10658	3.6
157.10101	5.8
159.11652	13.9
161.09618	2.8
161.13237	7.3
163.03862	6.8
163.11160	12.1
165.12775	2.1
169.10193	2.2
169.12115	1.9
171.10156	6.6
171.11580	4.1
173.11697	13.1
173.13205	4.5
175.11217	5.3
177.12747	4.8
179.14265	3.9
181.12198	3.2
183.11681	2.0
187.11378	1.8
187.13281	6.5
189.11157	1.6
189.12758	2.0
192.09338	1.8
193.12239	5.5
197.13272	2.6
201.12744	2.3
205.51552	1.6
208.07027	1.9
217.08821	1.6
223.13394	2.7
229.14339	32.1
229.19553	3.1
239.17900	2.6
243.15904	22.3
247.20595	2.1
251.20058	2.4
253.18016	4.2
255.15829	13.4
257.19049	5.8
267.15964	5.1
269.17480	6.1
271.15372	5.1
273.18420	3.0
275.20013	34.5
285.16888	3.8
291.19577	7.7
293.21298	2.0
349.23694	100.0
367.24780	10.2
380.13052	2.1
383.24265	3.4
418.28021	1.9
580.32336	3.4
581.29633	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	580.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01867	12.0
55.05500	25.6
57.03437	25.9
57.07064	3.1
59.04998	2.3
61.02919	11.7
61.60426	2.0
65.03924	4.3
67.05498	92.6
69.03429	10.4
69.07062	47.7
70.60413	6.4
71.01328	5.8
71.04980	11.0
73.02924	4.1
75.73216	2.1
79.05488	52.0
81.03412	23.7
81.07046	91.3
83.04671	1.5
83.04975	15.2
83.08616	18.5
85.02893	12.6
85.06527	8.6
91.04914	3.8
91.05467	52.9
91.06957	1.8
93.07037	50.3
95.04961	19.7
95.08595	48.5
97.02894	12.9
97.06518	25.0
97.10158	6.0
99.08076	4.6
103.03936	3.5
105.07018	43.7
107.04949	11.5
107.08582	28.8
109.02869	3.1
109.06496	9.8
109.10142	44.9
111.04465	2.7
111.08073	8.3
117.07027	14.0
119.08571	34.6
121.06491	6.0
121.10139	15.8
123.04413	4.8
123.08035	11.1
123.11679	10.3
125.09618	9.9
127.03915	14.1
128.06207	2.9
129.05470	4.5
129.06993	8.2
131.08556	17.7
133.10115	33.3
135.08032	8.4
135.11690	17.2
137.09599	9.5
139.03879	5.6
141.09071	3.6
141.40770	2.2
143.08557	5.1
145.04944	3.2
145.06422	2.2
145.10104	21.4
147.08084	2.7
147.11671	17.6
149.09610	19.1
149.13197	6.1
149.44212	2.3
151.11168	9.3
157.10123	7.2
159.11671	15.4
161.09639	4.6
161.13280	6.9
163.03844	3.1
163.11153	13.6
165.09132	2.8
169.10045	2.7
171.10149	13.1
171.11699	5.7
173.11717	15.1
173.13272	6.6
175.11166	4.9
177.12724	4.7
179.14340	5.3
181.12186	3.1
183.11623	3.2
185.13243	3.0
187.13303	5.6
189.11169	2.7
193.12309	3.5
201.12714	2.6
211.13255	3.3
215.14395	2.7
229.14294	33.7
239.17906	5.1
243.15916	22.9
247.20464	2.9
253.18042	4.9
255.15889	20.9
257.18954	6.4
267.15958	4.7
269.17499	5.6
271.15414	6.8
273.18494	4.7
275.20023	34.6
285.16904	7.7
288.05835	2.0
289.07291	2.3
291.19507	7.6
293.21054	3.4
297.17105	2.3
349.23691	100.0
367.24677	10.5
383.24133	4.7
475.79816	2.2
580.33258	3.5
581.29401	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	579.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.3
55.73796	1.4
57.03438	2.4
57.07072	27.0
64.15836	1.5
65.03939	1.7
66.91396	1.7
67.05498	22.4
69.03478	1.6
69.07063	32.1
70.05151	8.9
71.08615	2.5
79.05476	20.1
81.07049	76.8
83.01352	2.2
83.04980	7.3
83.08608	5.7
85.06524	5.7
85.10194	1.6
88.31689	1.5
91.05466	22.9
93.07037	36.8
95.04942	5.1
95.08599	56.1
97.06488	1.7
97.10159	3.0
99.04503	1.7
105.07021	50.6
107.04904	1.6
107.08582	41.4
107.28165	1.4
109.06498	5.3
109.10148	49.5
111.11694	1.6
117.06996	6.5
119.08577	38.1
121.06480	2.1
121.10133	35.5
122.10475	1.6
123.08052	3.3
123.11694	46.0
127.07534	6.3
129.06975	3.4
131.08562	13.2
133.10115	25.1
135.08037	4.9
135.11678	29.4
137.05960	1.9
137.13228	9.1
141.09169	1.7
143.08545	6.2
145.10112	18.7
147.08043	3.1
147.11673	66.4
149.13246	10.5
153.05438	4.4
155.08507	2.8
157.10147	8.7
158.10881	1.5
159.08040	1.9
159.11673	11.3
161.09509	1.6
161.13248	12.2
163.07515	2.1
163.11147	2.7
163.14835	5.4
165.05447	8.4
165.12701	1.7
167.03516	1.7
167.07028	6.3
169.04970	4.7
169.10085	1.8
171.11659	2.7
173.09558	3.1
173.13251	3.7
175.07513	1.9
175.14803	7.8
177.05473	2.8
177.09125	3.2
177.16374	34.7
179.03349	3.3
181.10136	2.1
183.08261	1.6
185.09637	2.2
185.13277	3.6
187.14789	3.6
189.16402	10.4
191.07069	4.1
191.10736	2.5
191.14203	2.3
191.17897	3.2
193.08527	2.0
195.11674	2.8
197.13200	2.5
199.14795	4.8
201.09064	3.0
201.16344	26.1
203.07018	2.5
203.17941	100.0
204.18254	3.3
205.08540	3.6
205.19565	1.9
209.07977	3.1
209.13243	2.8
211.09450	1.7
213.12756	3.0
213.16374	2.0
215.17989	2.8
217.08614	5.0
219.10146	12.9
219.17303	2.0
221.11707	1.9
223.09624	5.2
227.09053	11.5
227.14223	3.9
229.12157	1.9
235.09541	8.9
237.11162	14.6
241.46898	1.5
253.10634	7.7
255.13904	2.1
255.17488	1.8
257.15579	1.6
257.18738	2.5
273.11105	2.2
273.14719	2.5
287.16238	3.6
301.14362	2.3
311.16562	1.5
337.28848	2.4
339.19403	3.3
341.21283	2.4
353.21017	3.1
357.20532	18.9
359.22134	5.8
371.21930	5.6
375.21683	11.1
377.23254	2.2
379.29944	19.5
395.25851	2.1
425.26883	4.5
435.32629	2.7
437.26633	2.3
439.28311	4.4
443.27905	11.5
449.27029	1.9
455.27692	2.5
477.33435	6.6
491.31671	2.4
493.32886	6.7
495.34201	2.5
505.32861	2.3
517.36511	1.8
543.38550	9.2
561.39417	34.4
579.40710	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	579.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05507	4.6
55.84028	0.7
57.03409	1.7
57.07070	13.3
65.03889	0.7
65.56277	0.8
66.00104	0.7
67.05499	10.2
69.03407	1.5
69.06692	1.1
69.07063	19.2
69.48459	7.6
71.34325	0.7
79.05478	9.9
81.07047	41.7
83.01343	1.4
83.04949	2.4
83.08598	2.9
85.06520	3.3
91.05466	13.8
92.66100	0.6
93.07033	18.6
95.04937	3.0
95.08595	24.1
97.06503	1.1
97.10133	1.0
105.07018	27.8
105.07727	1.7
107.04933	1.5
107.08585	19.8
109.06495	3.1
109.10142	21.4
111.39003	0.7
117.07008	3.1
119.04936	1.4
119.08566	23.6
121.06509	1.9
121.10136	20.0
123.08057	1.8
123.11695	65.5
124.12061	1.2
127.07539	1.1
131.08556	5.8
133.06474	0.9
133.10118	17.1
135.08049	2.9
135.11690	10.7
137.05936	1.0
137.09605	1.2
137.13234	5.7
139.22025	0.8
143.08533	2.9
145.10112	10.9
147.08023	2.6
147.11668	47.5
149.05960	1.2
149.09641	1.1
149.13235	4.2
151.03902	1.4
153.05455	3.2
157.10106	2.5
159.08038	1.6
159.11673	6.3
161.05905	1.0
161.09628	1.1
161.13275	8.4
163.07536	2.1
163.11156	1.8
163.14838	1.5
165.01816	1.7
165.05467	9.7
165.12740	2.7
167.07030	3.0
167.14262	2.6
169.04910	2.5
169.10083	0.8
171.08209	0.7
173.09598	1.4
173.13287	1.7
175.07573	3.1
175.11298	1.4
175.14798	2.7
177.05505	1.2
177.09082	2.4
177.16331	2.7
179.03343	1.1
179.06984	2.0
183.11653	1.0
185.09801	0.8
185.13203	1.1
187.14787	1.2
189.09138	1.1
189.16350	3.0
191.06990	10.3
191.10643	1.5
191.17953	0.9
193.08568	1.6
199.11108	1.2
199.14830	1.7
201.09062	1.8
201.12717	1.2
201.16377	23.4
203.07007	4.7
203.17937	100.0
204.07758	1.0
204.18237	1.3
205.08612	4.7
207.10100	1.0
209.08037	1.7
213.12660	1.1
217.08612	4.1
219.10156	12.7
219.17451	2.8
221.08028	2.4
221.11711	2.1
223.09604	1.5
229.12321	1.0
229.19653	1.0
231.09976	1.2
231.17448	2.2
235.09622	3.4
237.11160	15.4
239.09071	1.8
241.10712	1.2
241.19443	1.2
243.10182	1.2
245.11708	0.9
247.13324	1.3
249.11121	1.2
253.10701	2.4
255.13829	1.0
269.11594	1.0
269.15387	1.7
271.13303	1.2
273.11121	1.3
273.14755	1.6
275.12881	1.2
283.13370	1.4
283.17230	0.8
285.14804	1.3
287.12930	1.5
287.16351	3.0
289.14215	1.6
291.15945	1.7
293.13785	2.8
297.14554	1.0
299.19995	1.2
301.14447	1.2
311.16370	1.3
311.20108	0.9
313.18073	0.9
315.16202	1.0
325.17886	2.3
326.18488	1.0
327.19391	0.9
339.19510	6.5
341.17392	0.8
341.21088	2.2
343.19012	2.3
343.22733	0.9
345.20670	0.9
353.21033	2.6
355.22653	2.0
357.20535	27.4
358.21161	1.3
359.22131	8.1
371.22134	12.0
375.21649	19.4
377.23236	4.3
379.30145	1.3
383.25784	1.1
397.27390	1.2
407.25491	1.0
421.27396	2.1
425.26962	1.6
427.28268	1.0
437.26904	2.0
439.28622	4.4
443.28015	1.6
459.32816	1.4
477.33875	3.7
491.31683	3.0
493.33267	10.8
495.35214	1.1
503.24692	1.1
509.32718	1.0
511.34000	1.8
543.38599	4.7
561.39429	28.0
562.39246	1.7
579.26721	0.9
579.40546	18.4
586.13867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01872	1.0
55.05500	3.9
57.07072	13.7
65.03923	1.4
67.05499	12.2
69.06744	1.2
69.07063	13.5
71.04977	1.3
79.05489	11.8
81.03408	0.9
81.07047	27.9
83.01347	3.0
83.04962	1.1
83.08600	3.0
85.06558	4.0
91.04917	1.6
91.05470	26.3
93.07030	25.6
95.04948	3.6
95.08005	1.5
95.08595	24.5
103.05405	0.8
103.92159	0.8
105.07022	52.8
107.08576	25.4
109.06483	3.2
109.10143	28.0
110.84794	0.8
111.92660	0.9
112.00101	0.8
117.06995	4.4
119.08567	47.4
121.06474	1.2
121.10131	20.2
123.08051	1.3
123.11694	21.4
131.08528	7.1
133.10114	25.8
135.08055	4.8
135.11674	19.3
137.05930	2.2
137.13208	1.8
139.03897	1.0
142.07736	0.9
143.08531	2.9
145.10114	10.4
147.11668	77.4
149.05989	1.0
149.09615	1.8
149.13239	1.8
153.05457	6.4
155.08401	1.1
157.10101	2.2
159.08136	1.1
159.11668	8.9
161.05899	2.4
161.13246	11.8
162.06752	1.5
163.07538	4.2
163.11151	3.6
165.05453	30.3
167.07011	10.0
169.04922	1.9
171.08037	1.0
171.11665	1.1
173.09612	2.6
173.13231	1.4
175.07593	1.1
175.11119	1.3
175.14806	3.7
177.05444	4.4
177.09073	9.7
179.06967	1.5
185.13268	1.6
187.14793	1.0
189.08939	0.9
189.16393	1.4
191.07019	2.5
191.10677	4.6
197.13123	1.1
199.14859	1.9
201.09091	4.1
201.10721	1.0
201.16356	8.5
203.17932	67.8
204.07780	1.6
204.18227	1.2
205.08557	3.7
209.08080	1.0
217.08614	4.7
217.15790	1.4
219.10144	56.1
219.17336	1.5
221.07976	1.3
221.11659	1.9
223.09589	2.9
225.11163	2.6
230.02654	0.8
231.17432	2.7
235.09642	4.7
237.11194	100.0
238.11676	1.3
243.10110	1.7
249.11282	1.1
251.12787	1.0
257.11563	1.0
269.59689	1.0
271.13300	1.5
275.12717	0.8
281.11716	0.8
283.13080	0.9
287.16403	12.6
287.23560	2.4
289.14297	0.9
305.17383	3.5
339.19315	1.0
341.21109	2.1
343.19073	2.8
353.21042	2.1
355.22650	22.8
357.20578	7.5
359.22150	52.0
371.22266	6.0
375.21646	3.0
377.23260	7.6
421.27261	2.8
427.28439	1.1
439.28488	25.6
475.32074	2.9
477.33887	4.5
493.33112	5.6
509.32278	1.4
543.38055	2.0
561.39606	14.5
579.40137	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	579.1496
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02370	0.4
53.03941	0.5
55.01865	1.4
56.96551	0.9
58.79525	0.2
65.03923	0.6
67.01860	0.7
67.05496	0.6
68.99770	3.4
69.00085	0.3
69.03421	1.2
71.04999	0.3
71.80145	0.4
74.20249	0.2
77.03928	0.3
79.05479	0.8
81.03400	2.6
83.01324	0.3
83.04971	0.5
85.02894	2.0
89.03882	1.2
91.05477	0.7
91.65413	0.3
93.03357	0.3
95.04942	1.6
95.05443	0.2
97.02872	1.0
98.97552	1.1
99.04435	1.0
103.05466	0.5
105.03365	0.8
107.04942	3.1
109.02868	2.9
111.00773	1.9
111.04427	2.6
115.05447	0.3
116.98602	0.7
117.03379	1.6
119.04897	2.1
121.02838	1.2
123.04410	41.8
124.04752	0.4
127.03895	100.0
128.04268	0.4
128.98575	0.4
129.07089	0.3
130.05031	0.3
131.04903	1.8
132.98744	0.6
134.99660	0.4
135.04395	27.0
136.04703	0.4
137.02313	3.1
137.05962	0.7
139.03879	50.3
140.04248	0.4
141.06944	0.7
143.04893	0.7
145.02779	1.4
145.04910	0.4
145.06441	0.8
146.99600	0.4
147.04381	6.9
149.01222	0.4
149.02335	3.9
149.03461	0.5
149.05923	1.8
151.03877	7.2
153.01799	0.7
153.05327	0.3
155.04855	0.6
157.06458	0.9
158.99648	0.3
159.04393	3.2
161.01208	0.6
161.05974	3.6
163.03880	44.3
164.04198	1.2
165.05473	5.8
167.03381	8.5
167.04816	0.6
169.05005	0.5
169.06453	1.8
170.99673	0.5
173.05959	2.9
175.03883	3.2
175.07555	0.3
177.00633	0.6
177.05426	4.0
179.03377	3.2
179.07022	0.4
181.04893	0.9
181.06517	0.7
183.04350	0.9
185.01144	0.3
185.05936	1.4
187.03851	5.3
187.07436	0.6
189.00604	0.4
189.05440	2.3
191.03371	10.8
193.04926	3.8
193.06595	0.3
194.79320	0.3
197.05952	3.4
199.07545	0.3
200.04652	0.3
201.00609	0.8
201.05455	6.1
203.03360	8.5
203.04898	0.3
203.05289	0.5
203.06929	1.9
205.04953	2.7
207.06477	1.4
211.00771	0.3
211.04144	0.4
213.05400	1.5
215.03410	0.9
215.07040	2.9
217.04970	1.5
219.01793	1.0
219.06590	0.4
224.99843	0.3
225.05463	1.5
227.03407	0.3
227.06833	0.4
229.04938	6.9
231.06560	1.4
233.04398	5.0
236.99840	1.1
237.02959	1.0
237.05298	0.5
241.04990	1.8
243.06476	4.5
245.04434	5.5
247.05989	14.9
248.09163	0.3
249.94766	0.2
251.05382	2.0
253.04959	1.6
255.01624	0.3
255.06476	1.1
257.04425	9.0
258.05112	0.9
259.05988	8.9
261.02820	0.7
261.07523	0.3
263.05478	0.3
264.99973	0.3
269.04425	2.2
271.05975	19.6
273.07596	1.7
275.05457	14.1
279.03769	0.4
283.05984	6.6
285.07541	0.7
287.05457	20.6
289.07031	16.1
291.08585	13.2
297.07565	0.8
299.05444	3.5
301.07019	13.7
302.70218	0.3
303.08594	2.3
311.05182	0.5
312.02234	0.3
313.07040	0.3
315.08496	0.4
327.09305	0.3
365.10458	1.6
379.08127	0.5
391.07974	0.7
393.05151	0.6
399.06299	0.3
401.61880	0.3
402.05374	0.4
409.09131	24.0
411.05750	0.3
411.10651	3.1
421.08902	1.1
423.10742	0.4
427.10239	9.0
439.10150	1.5
453.11447	0.5
489.06735	0.3
511.01111	0.3
561.13159	0.4
579.13928	0.5
579.21851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
53.03930	0.8
53.75231	0.4
55.01863	1.2
67.01852	0.6
68.99786	3.2
79.05479	0.8
81.03395	2.4
91.05463	0.5
93.03397	0.6
95.04955	1.0
97.02862	0.4
99.04463	0.8
105.03396	0.6
107.04945	2.2
109.02869	2.3
111.00786	1.9
111.04424	1.7
115.05307	0.5
117.03307	0.5
119.04926	1.2
121.02859	0.7
123.04416	39.0
127.03899	100.0
131.04939	1.3
135.04401	24.1
137.02380	2.0
137.03297	0.4
137.05934	0.9
139.03882	45.8
141.06975	0.7
143.04924	0.9
145.02895	0.4
145.06442	0.7
147.04379	6.3
149.02322	3.2
149.05971	0.8
151.03877	6.3
154.00726	0.4
155.04942	0.6
157.06441	0.6
159.04431	2.5
161.05986	2.9
163.03888	32.5
165.05449	4.4
167.03383	7.3
169.05069	0.4
169.06477	1.6
173.05969	2.4
175.03877	3.3
175.07460	0.4
177.05457	3.6
179.03362	3.0
179.06937	0.6
181.04898	1.0
181.06418	0.6
183.04378	0.9
185.05984	0.7
187.03806	5.0
187.07562	0.8
189.05464	1.8
191.03365	8.4
191.05003	0.6
193.04955	2.8
197.05917	2.6
201.05432	5.1
203.03351	6.4
203.06976	1.9
205.04932	2.9
207.06506	1.4
213.05438	1.2
215.03415	1.0
215.06943	2.5
217.04997	1.4
219.06429	0.4
225.05431	1.4
227.07059	0.4
229.04929	5.3
229.98776	0.4
231.06476	1.1
233.04428	5.0
241.04945	1.6
243.06532	4.4
245.04440	5.9
247.05988	14.2
251.05487	1.6
253.04997	0.6
255.06551	1.7
257.04437	8.5
258.05298	0.7
259.06009	8.1
261.07678	0.5
269.04431	1.8
271.05981	17.8
273.07550	1.7
275.05469	13.5
275.08401	0.9
283.05981	6.5
287.05472	20.6
289.07031	15.6
290.07410	0.5
291.08597	16.3
297.07620	0.4
299.05515	3.3
301.07047	13.7
303.08713	2.5
333.09918	0.6
409.09143	24.2
411.10742	3.4
421.08868	1.4
427.10199	9.3
439.10226	1.7
579.14612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1489
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
50.42994	0.7
51.02372	0.9
53.03922	1.0
55.01863	0.8
55.90493	0.6
65.03936	1.0
67.05480	1.2
68.99776	3.7
69.06782	0.7
69.98765	3.9
76.34906	0.8
79.05477	0.7
81.03394	0.7
89.25072	0.6
91.05416	1.7
95.04949	2.3
98.20715	1.5
99.04438	0.8
104.79612	0.7
105.03376	1.6
107.04903	2.7
109.02861	2.4
111.00775	1.9
111.04420	2.9
115.05461	0.9
117.03365	1.1
119.04922	5.3
121.02856	0.9
123.04411	100.0
124.04724	1.1
127.03897	80.7
131.04897	1.6
135.04399	23.8
137.02301	3.3
137.05954	1.3
139.03879	36.3
141.06967	1.0
143.04939	0.9
145.06459	1.4
147.04395	15.5
149.02309	2.6
149.05927	1.6
151.03880	7.0
155.04889	1.3
157.06497	0.9
159.04428	2.4
161.05948	6.1
163.02483	1.6
163.03879	33.1
165.05469	9.6
165.06892	1.2
167.03407	4.9
167.07011	0.9
169.04994	0.8
173.05974	3.1
175.03915	2.3
175.07538	1.0
177.05466	3.4
179.03363	5.7
179.06982	1.2
181.04947	2.3
181.06418	0.9
183.04350	1.0
185.05945	1.3
187.03842	4.5
187.07410	0.9
189.05450	3.0
191.03346	9.5
191.05000	0.9
193.04959	8.1
197.06030	2.2
201.05440	5.8
203.03351	10.8
203.07060	2.2
205.04886	2.1
207.06480	3.1
213.05515	2.5
215.03374	2.1
215.07040	2.8
217.04878	3.4
225.05493	1.7
229.04919	6.0
231.06572	2.5
233.04408	3.0
241.04970	2.1
243.06511	4.6
245.04424	15.0
247.05992	16.9
253.05023	2.2
255.06541	2.6
257.04425	18.2
258.05118	2.9
259.05878	4.4
269.04456	2.9
271.05994	20.6
273.07584	1.6
275.05457	14.0
283.05963	7.1
285.07495	2.7
287.05447	40.5
288.05826	2.5
289.07025	11.6
291.08612	14.9
291.11893	0.7
295.05917	0.9
299.05493	10.6
299.08853	0.9
299.13272	0.8
301.07034	12.5
303.08572	3.6
311.05338	1.0
313.07047	2.4
333.09744	1.0
409.09119	42.9
410.09467	1.2
411.10611	3.4
421.09116	2.7
427.10159	7.1
435.10553	6.8
439.10104	6.8
453.11801	2.1
561.13751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01548	2.0
53.03926	7.6
54.06720	2.7
55.01854	6.3
55.05504	40.6
57.03438	12.4
57.07056	6.8
59.05003	3.9
65.03915	6.0
67.05497	98.5
69.03403	6.6
69.07064	32.0
69.12620	2.1
69.80785	19.4
71.04988	14.9
71.08619	11.0
73.06512	2.9
75.04402	2.4
78.16511	2.6
79.05040	3.8
79.05482	64.2
81.03405	32.7
81.07047	100.0
83.04976	15.5
83.05404	3.4
83.08620	27.9
84.08127	2.9
85.02877	3.5
85.06514	8.8
91.05466	67.1
93.07034	71.5
95.04952	26.7
95.08016	4.3
95.08591	61.6
97.06525	14.6
97.10149	18.7
99.08068	7.4
102.09162	4.6
103.05427	2.3
105.04533	2.6
105.07024	62.2
107.04961	11.9
107.08579	46.7
109.06504	12.0
109.10146	30.1
111.04388	3.7
111.08065	11.3
117.07005	20.1
119.08573	47.5
121.06474	10.1
121.10123	36.2
123.08027	7.2
123.11717	10.6
125.09591	14.4
128.06198	3.1
129.06995	15.4
131.08556	36.3
133.06516	2.4
133.10110	33.8
135.08047	7.6
135.11691	18.5
137.05994	2.5
137.09596	5.7
137.13217	4.6
139.11192	3.5
141.06950	3.3
142.07779	4.3
143.08572	14.4
145.10120	25.7
146.10417	3.0
147.08034	3.8
147.11667	28.1
149.09592	8.6
149.13245	9.9
151.11128	7.2
155.08505	7.2
157.10080	18.8
159.08118	2.3
159.11678	19.7
161.09540	4.5
161.13194	11.4
163.11215	6.3
165.12712	4.0
167.10640	3.7
169.10110	8.1
171.10382	2.4
171.11610	11.2
173.11896	2.8
173.13284	13.5
175.11140	5.1
175.14748	5.6
177.12672	5.3
179.14273	4.4
181.10127	3.4
183.11684	7.7
185.13191	10.9
187.14815	7.5
189.11209	10.5
193.10576	2.4
193.12212	17.0
195.11676	4.6
195.13823	3.9
197.13252	5.1
199.13196	2.8
199.14835	6.3
201.16354	5.2
205.08594	3.6
211.13177	10.4
212.97754	2.4
213.16428	4.5
219.13760	3.3
219.17519	2.1
227.12720	15.9
233.15430	4.3
234.75317	2.2
243.21153	3.0
246.40134	2.1
249.14787	3.6
258.79074	2.4
261.22101	6.1
267.15851	27.5
273.18649	3.7
273.22229	2.3
275.20050	10.4
277.21512	4.5
283.15494	3.1
285.22131	4.1
287.23590	4.4
289.21558	4.8
291.19229	3.3
293.17740	3.4
293.21051	59.8
301.25204	7.8
315.23044	2.8
317.24921	3.1
333.24182	4.8
335.25867	13.5
359.25778	3.4
361.27310	3.3
363.25308	4.8
367.24808	5.1
417.31482	5.3
435.27182	4.7
435.32486	11.9
453.33707	20.8
471.34476	8.8
491.34598	3.2
509.35950	6.1
527.29877	4.2
527.37250	59.9
541.35150	4.1
545.38257	48.6
553.35944	2.5
559.35938	21.6
577.37061	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.01863	8.8
55.05503	54.8
57.03437	9.7
57.07049	6.5
59.04981	4.2
65.03926	5.3
67.05496	95.6
69.03409	6.6
69.07060	29.2
71.04988	15.0
71.08612	6.8
71.81508	1.7
79.05022	3.8
79.05481	58.2
81.03403	7.9
81.07043	100.0
83.04975	8.4
83.08605	28.5
85.06526	8.3
87.04465	1.7
91.05468	56.2
93.07032	68.1
95.04955	15.4
95.08594	52.0
97.06513	8.0
97.10157	33.1
99.00806	2.0
99.08070	4.1
102.24404	1.8
103.05431	4.3
105.07014	58.2
107.04939	5.5
107.08582	41.3
109.06513	10.1
109.10139	36.3
111.08061	10.3
115.05417	3.2
117.07005	27.1
119.07735	3.3
119.08563	43.7
121.06480	7.6
121.10136	25.8
123.08031	7.9
123.11688	13.6
125.09607	25.6
128.06165	3.3
129.06989	16.2
130.07730	1.8
131.08543	41.8
133.06454	4.8
133.10112	31.2
135.08018	6.8
135.11676	20.7
137.09595	4.3
137.13193	5.8
139.11198	2.6
141.06949	7.0
143.08543	20.1
145.06422	2.7
145.10123	25.7
147.07993	3.5
147.11678	20.0
149.09601	6.6
149.13239	8.0
151.11176	5.6
153.12740	4.0
155.08560	14.3
157.10100	16.4
159.08041	6.0
159.11691	16.4
161.09604	6.0
161.13271	12.3
163.11194	8.5
163.14812	3.3
165.05461	2.4
165.12726	3.2
167.08629	3.6
169.10141	11.4
171.11629	10.7
173.09621	2.0
173.11842	2.6
173.13229	11.2
175.11212	4.0
175.14778	5.9
177.12665	3.1
177.16331	2.2
179.10686	3.0
179.14262	4.8
181.10126	5.2
183.11600	8.8
185.09541	1.6
185.13214	9.9
187.11136	3.3
187.14807	10.0
189.09357	2.8
189.11191	15.7
189.12703	3.6
189.16386	7.3
191.10666	2.9
193.12195	2.4
195.11646	5.4
197.13243	9.2
199.14838	8.4
201.16382	5.8
203.17941	3.6
205.08438	2.9
205.15887	1.8
209.13264	5.3
211.14796	5.3
213.12794	2.2
213.16342	2.9
215.14362	3.1
215.18007	3.1
223.09624	2.8
223.14781	2.8
225.11119	1.9
225.16394	4.6
227.10646	1.2
227.12743	37.3
227.14799	3.3
227.17914	2.8
229.14224	2.0
237.16446	2.6
239.17908	2.5
241.19565	4.1
243.21124	4.3
249.16403	2.2
259.20706	3.6
261.22122	8.6
267.15945	4.9
275.20068	2.0
275.23526	2.8
277.21515	4.9
279.23157	2.4
281.22662	2.7
283.15436	4.3
283.24280	3.8
285.22021	4.4
287.23492	4.1
289.21341	1.9
297.22113	2.3
299.14914	4.6
299.23569	2.7
301.21942	3.7
301.25214	18.6
303.23227	2.4
313.21683	1.8
315.23215	5.0
317.24460	3.0
323.23560	2.9
327.22989	3.1
329.24527	2.6
335.25754	8.5
341.24771	2.2
355.26190	3.1
359.25626	2.3
363.25159	3.1
367.26044	2.0
373.27142	2.7
391.24814	2.3
405.25986	2.2
407.23950	3.5
417.31720	4.2
421.25681	5.4
423.27176	2.5
425.33939	3.0
427.32132	2.3
435.32581	17.7
445.33411	2.7
453.33618	15.4
471.34711	9.9
491.36520	2.5
501.35669	11.2
509.36404	8.4
513.35522	3.9
517.38593	3.4
519.29584	2.9
519.36792	40.0
520.36798	3.6
527.37262	63.5
541.34882	11.3
545.38324	58.8
546.38788	2.1
559.38879	24.5
577.41199	57.1
578.40912	4.1
598.72906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01862	6.9
55.05242	3.1
55.05502	38.0
56.19427	1.9
57.03426	13.7
57.07066	4.0
59.04973	2.1
65.03921	4.7
67.05496	86.3
69.03415	2.9
69.07061	33.2
70.07625	12.1
71.04980	16.2
79.05479	60.6
81.03401	22.0
81.06561	5.2
81.07041	100.0
83.04961	8.8
83.08601	18.6
85.06537	13.7
91.05468	56.9
93.07030	72.4
95.04962	17.3
95.08592	76.5
95.09210	4.0
97.06512	12.6
97.10150	19.6
98.49416	2.2
99.08084	4.8
105.07018	58.9
107.04921	4.5
107.08576	46.2
109.06500	8.9
109.10126	33.9
111.08062	7.2
114.70171	2.0
117.06993	19.9
119.08564	49.6
120.36652	2.0
121.06485	5.4
121.10117	36.1
123.08041	6.2
123.11677	11.5
125.09615	15.6
129.07007	14.5
131.08531	39.8
131.09470	3.0
133.06436	2.3
133.10107	33.0
135.08078	5.8
135.11665	19.3
137.09573	4.6
137.13197	3.1
139.11194	3.4
141.06946	4.4
142.07751	2.9
143.08551	16.3
145.10094	27.5
147.08073	2.6
147.11664	28.9
149.09621	8.5
149.13243	12.7
151.11201	3.0
155.08577	8.1
157.10085	18.9
159.11678	25.0
161.09578	3.0
161.13255	10.3
163.11195	5.5
163.14795	4.4
165.05513	2.2
165.12755	4.7
167.39603	1.9
169.10123	8.3
171.11604	12.0
171.20348	1.8
173.09735	2.7
173.13216	16.6
175.11148	5.2
175.14798	6.6
177.12794	3.6
179.08536	1.9
183.11679	8.5
185.13217	9.7
187.13301	2.2
187.14832	7.6
189.11151	9.1
189.16339	2.2
191.14264	2.7
193.12189	9.1
195.11708	4.3
197.13229	7.6
199.13242	2.7
199.14886	5.7
201.16373	5.2
207.11800	2.8
209.13289	3.2
211.14859	4.9
213.16454	4.6
227.12682	12.9
235.14845	2.8
235.16905	2.1
239.16209	2.3
243.21169	2.7
253.19362	2.8
259.20578	4.0
261.22028	10.9
267.15891	26.5
271.20557	2.6
273.16919	2.2
285.22101	2.7
287.23581	4.3
289.21606	6.0
297.22031	2.9
299.23700	3.0
301.25067	12.8
303.23141	6.1
304.43295	2.2
318.16876	2.1
333.24097	4.3
335.25821	21.2
341.24341	2.9
359.25623	2.7
361.27460	2.3
363.25284	7.7
377.19315	2.4
417.31296	5.4
435.27271	3.8
435.32556	21.4
453.33478	18.5
471.34982	9.6
474.54889	2.1
491.34610	2.2
501.36139	2.8
509.36316	9.7
527.37262	79.9
528.37170	3.0
545.38324	66.6
546.38733	2.2
559.39972	17.0
577.40912	16.9
594.61292	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	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01864	27.1
55.05504	53.8
57.03429	19.8
57.07059	3.7
65.03934	4.6
67.05493	100.0
69.03429	4.6
69.07057	37.2
71.04991	11.1
71.08605	2.4
71.80835	2.7
79.05023	2.9
79.05482	64.2
81.03408	33.7
81.07047	81.5
83.04978	18.9
83.08612	30.2
85.02895	18.4
85.06537	6.2
91.05470	88.6
93.07031	55.7
95.01319	4.5
95.04958	31.4
95.08595	49.2
97.06517	38.8
97.10155	23.3
99.08096	4.6
103.05450	3.2
104.06352	1.7
105.07018	72.2
107.04961	21.3
107.08572	35.2
109.06502	13.5
109.10141	37.9
111.04445	2.5
111.08096	10.7
111.08807	2.1
115.05444	5.4
117.06245	3.5
117.07014	31.0
119.08569	49.2
121.06497	7.3
121.10123	26.8
123.04411	6.0
123.08068	8.3
123.11648	3.6
125.09585	18.0
127.03987	2.1
128.06210	2.5
129.05539	3.0
129.06987	21.3
131.04985	2.7
131.08548	51.7
133.06493	6.9
133.10124	35.2
135.04402	3.4
135.08061	8.2
135.11659	12.3
137.09622	6.7
139.11163	3.1
141.06966	8.8
142.07738	4.2
143.08553	14.6
143.10652	2.5
145.06487	3.9
145.10110	29.1
147.08061	5.4
147.11662	28.7
149.09569	14.6
149.13220	3.9
151.11180	5.3
153.07109	2.3
155.08542	8.8
157.10086	19.4
159.08075	3.8
159.11681	15.6
161.09665	5.8
161.13260	7.7
163.11156	12.1
165.12769	3.5
167.08592	3.8
169.10158	8.2
171.08046	2.2
171.11613	11.7
173.09644	4.8
173.11740	6.4
173.13272	7.7
175.11195	12.4
175.14818	3.2
177.12727	5.2
179.14310	5.5
181.10097	7.1
183.11682	7.2
185.13268	5.5
187.14822	5.4
189.11192	6.4
189.12776	4.5
193.12221	22.4
197.13280	5.8
199.11157	2.5
199.14836	4.0
201.12744	4.3
201.16382	2.9
211.13243	23.0
211.14894	2.9
215.14374	2.2
217.14301	5.2
221.13531	2.2
227.12807	6.4
229.14352	14.0
231.17445	2.6
239.17935	2.7
241.19382	2.3
247.20624	5.3
257.18964	7.1
259.20526	5.8
267.15851	15.3
273.18570	2.4
275.20020	74.3
277.21713	5.2
279.21255	3.6
285.16895	34.6
287.05545	4.6
291.19562	7.2
293.21039	9.8
297.22116	5.3
299.20300	2.1
301.16699	2.5
313.21765	2.1
315.23093	3.0
325.21634	6.2
331.22568	3.4
333.24271	4.7
343.22754	3.9
349.23679	20.2
417.26242	3.2
467.31512	4.4
485.32593	3.7
523.33649	3.3
541.35132	27.4
542.35577	2.5
559.36261	57.1
577.37323	50.3
578.37738	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	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
53.21140	1.1
55.01620	2.3
55.01866	19.0
55.05505	35.0
57.03432	14.3
57.07061	4.4
58.06557	1.2
58.83973	1.4
59.04977	2.3
62.40523	1.4
65.03939	4.5
67.05499	72.2
69.03420	6.7
69.07063	29.8
70.93850	3.1
71.04989	9.2
79.05486	71.2
81.02992	0.9
81.03408	53.2
81.07046	100.0
82.07371	1.4
83.04961	18.0
83.08610	32.6
85.02897	19.0
85.06542	6.0
91.05469	73.1
93.07032	63.9
94.07397	1.4
95.04956	31.3
95.08594	40.4
97.02883	3.2
97.06516	20.7
97.10153	12.4
99.04453	1.6
99.08102	4.8
103.05484	2.8
105.07018	67.1
107.04954	19.1
107.08580	36.8
109.06512	19.1
109.10143	21.6
111.04444	3.7
111.08073	12.2
113.06039	1.6
115.05439	3.0
116.06259	2.2
117.07019	19.4
119.04943	1.4
119.08569	56.9
121.06485	9.6
121.10130	26.5
123.04413	3.3
123.08060	10.0
123.11700	9.4
125.09619	10.5
128.06227	3.7
129.06990	17.1
130.07788	1.5
131.08557	31.0
132.08945	1.6
133.06458	6.7
133.10118	41.3
133.11136	2.0
135.04446	2.1
135.08041	8.1
135.11690	14.8
137.09608	10.5
139.11148	2.0
141.07002	3.4
142.07747	4.0
143.08537	9.5
145.06477	1.5
145.10104	29.0
145.11198	1.6
147.08067	4.0
147.11674	30.2
149.02290	1.9
149.09602	20.7
149.13309	6.5
151.11171	6.7
153.09035	1.6
155.08569	4.4
157.10094	21.6
159.08041	3.1
159.11703	16.8
161.09525	3.5
161.13277	6.2
163.11137	13.0
163.14803	2.3
165.12749	6.3
169.10101	4.8
171.11649	7.2
173.09683	2.9
173.11935	2.5
173.13213	9.1
174.13824	1.4
175.11179	16.4
177.12764	4.5
181.10112	1.8
181.12180	1.5
183.08018	1.4
183.11710	4.3
184.07332	1.8
185.13268	3.8
187.11211	4.0
187.14865	2.3
189.11244	6.4
189.12691	2.8
191.10667	2.1
193.04977	2.4
193.12228	41.3
195.13765	1.9
197.13286	4.5
199.11243	1.7
199.14833	3.2
201.12744	3.1
203.14301	1.9
205.12125	1.3
206.36482	1.3
211.13251	49.6
215.14380	1.6
217.15892	2.8
227.12732	9.9
229.14314	3.2
229.19485	2.9
233.15367	1.5
239.17938	3.5
247.06261	1.5
247.20636	5.3
253.14206	1.7
257.18994	11.5
259.20682	2.3
267.15875	33.3
269.17450	2.7
273.18494	3.0
275.20047	78.0
276.20471	4.0
277.21512	2.6
283.15573	2.8
285.16968	39.7
287.05420	1.9
287.20285	1.6
291.19614	3.2
293.14023	2.2
293.21066	11.7
312.56058	1.4
317.21243	2.5
331.22656	3.2
349.23691	44.1
367.24850	4.3
381.22687	1.8
431.28870	2.7
449.30243	2.9
461.28961	3.8
467.31693	5.3
479.30060	5.4
485.32343	3.5
503.33875	1.9
515.33893	1.5
521.16016	1.4
528.87360	1.5
541.35187	24.5
547.36981	2.2
559.36237	49.5
560.36938	4.2
577.37347	46.8
578.37823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05503	4.5
57.07061	2.4
63.08416	0.7
67.05495	7.7
68.99799	1.6
69.03069	0.6
69.03414	3.6
69.07062	20.1
71.04977	1.3
71.32222	0.6
79.05489	5.5
81.03410	4.3
81.06595	1.3
81.07045	15.5
83.04958	1.5
83.08601	5.1
85.02895	5.4
85.06519	0.7
87.00828	0.9
89.03916	1.3
91.05455	4.4
93.07032	6.6
95.04964	5.2
95.08595	11.4
97.02862	2.0
97.06522	3.9
97.10162	2.2
99.04435	0.7
99.08054	1.3
105.01832	1.0
105.07018	5.7
107.04943	2.1
107.08575	6.0
109.02859	1.7
109.06477	1.5
109.10141	6.9
111.00800	0.9
111.04459	1.0
111.08095	0.8
111.11735	1.8
114.01159	0.6
115.03915	0.9
115.07666	0.8
117.03386	1.8
117.07005	2.0
119.08550	4.1
121.06488	1.1
121.10120	4.6
123.04426	3.9
123.08090	0.8
123.11682	6.5
127.03909	5.0
131.08548	2.5
133.10086	6.4
133.52170	0.7
135.04384	3.8
135.11714	3.3
137.02295	0.8
137.13226	3.2
138.52635	0.7
139.03879	1.6
141.06999	0.6
143.08592	0.9
145.02844	5.1
145.06396	1.1
145.10094	2.6
147.04404	1.3
147.11652	2.2
148.12454	1.4
149.06006	1.5
149.13246	2.2
151.03905	0.9
151.11107	0.9
151.14806	1.3
153.01804	17.1
157.06509	0.8
157.10098	1.6
159.11699	1.3
161.05876	0.9
161.13251	0.9
163.03899	4.6
163.11171	1.4
163.14821	0.9
165.01796	0.8
167.06912	0.9
169.10141	1.0
173.06020	1.1
175.03838	0.9
175.11165	0.9
177.05435	9.1
179.03381	1.5
187.03918	2.0
189.05415	1.8
191.03349	0.9
193.04868	1.0
193.12206	1.5
200.61964	0.7
201.05417	1.6
203.03398	4.3
205.04889	7.4
205.06232	0.7
207.21072	0.8
211.07426	1.0
211.13324	0.9
215.03284	2.0
216.04175	1.4
217.04944	5.2
229.04956	8.5
231.02898	11.7
231.06386	6.1
233.04425	10.9
241.04990	4.8
242.05602	0.8
243.02829	2.0
243.06502	2.2
245.04446	7.2
247.02438	0.8
247.05927	3.9
253.04970	0.9
255.06490	3.1
257.04422	15.1
257.08133	1.0
259.05969	12.3
261.03918	7.2
263.05438	1.1
265.08447	0.8
266.05688	2.6
267.06522	7.5
267.15866	1.4
268.07288	1.2
269.04593	7.0
269.07800	5.8
270.04932	0.8
271.05930	4.2
271.09729	2.1
273.03903	3.5
275.05399	1.7
275.19998	1.8
275.27283	1.4
276.07779	0.9
277.07034	1.4
279.06491	19.8
280.07205	3.0
281.04819	0.7
281.08002	10.3
281.28305	1.4
282.05286	1.5
282.08362	1.1
283.06024	3.6
283.09586	8.6
285.04321	1.2
285.07501	3.7
285.10416	1.6
287.05478	2.1
291.06549	1.0
291.09879	1.3
293.08026	16.2
293.28372	2.9
294.05154	1.2
294.08511	1.6
295.06003	8.2
295.09641	8.7
296.06793	2.0
297.07590	11.0
297.11108	1.8
299.09128	4.2
301.08344	1.3
301.11166	0.9
305.08084	3.3
307.09473	1.6
308.06781	1.3
308.10248	1.2
309.07526	4.8
309.11169	8.8
310.08389	1.4
311.09091	27.8
311.12421	1.3
311.29468	1.2
312.09537	0.8
313.07040	4.7
313.10703	10.8
319.09641	7.0
321.11099	5.5
323.09045	9.6
323.12732	1.2
325.10971	0.7
327.08572	7.5
327.12296	5.8
328.08951	3.0
329.10117	26.0
331.09576	1.3
337.10687	11.8
337.14343	2.0
339.12234	31.6
341.10229	8.3
343.13229	2.5
346.12186	0.7
347.11331	1.8
351.15979	2.0
355.11697	8.6
355.15460	3.0
361.14218	7.5
379.15372	32.8
383.14835	3.0
397.16418	100.0
407.07364	1.3
409.08670	1.2
415.17471	50.8
541.35016	1.3
559.21655	8.4
559.35974	1.4
577.22668	4.3
577.29913	1.2
577.37708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1338
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
53.03945	0.6
55.01850	1.1
65.03938	0.9
67.05484	1.8
68.99788	2.0
69.03419	2.7
69.99633	2.9
72.04483	0.7
77.03898	0.7
78.03808	0.7
79.05472	1.6
81.03406	1.6
81.07085	0.4
83.04966	0.7
85.02888	0.9
91.05463	1.4
95.04970	3.3
97.02886	2.3
97.05260	0.5
98.21394	0.6
102.03712	1.1
105.03362	1.1
105.07036	0.7
107.04949	12.4
107.54412	0.5
109.02885	0.5
111.00809	0.5
111.04439	2.3
115.05408	0.8
117.03359	0.7
119.04930	4.1
121.02859	0.9
123.04420	83.4
124.04723	0.6
125.05959	2.0
125.06780	0.4
127.03903	1.7
131.06323	0.5
133.06483	0.5
135.04411	4.9
137.02350	0.5
137.05931	0.5
139.03883	18.5
143.04797	0.4
145.02812	1.2
145.06483	0.6
147.04396	13.8
148.04799	0.7
149.06316	0.6
149.07404	4.5
151.03893	73.0
153.01743	0.6
153.05458	9.8
157.06436	0.6
159.04533	0.5
161.06000	1.7
163.03893	21.4
164.04216	0.5
165.05472	13.1
165.06818	0.9
171.04356	2.2
175.03961	1.0
177.05469	2.7
179.03381	1.6
181.04942	43.3
183.04410	0.8
187.04001	1.1
189.05457	14.3
191.03384	1.3
193.04970	0.9
199.03874	5.8
201.05472	1.7
203.03255	1.0
213.05411	1.9
215.03362	8.7
217.04953	23.7
225.05496	0.7
227.03403	5.9
228.04137	0.6
229.04903	3.5
237.05396	0.7
239.03432	1.5
241.04942	2.8
243.02942	0.7
243.06575	1.1
245.04436	100.0
246.04771	1.6
247.05946	1.3
251.06966	0.6
257.04480	5.0
261.12708	1.3
263.07059	0.8
269.04428	1.8
271.06052	0.9
275.05536	1.0
287.05396	4.0
287.70209	0.6
291.06482	1.1
293.07877	0.6
299.05783	0.6
299.09134	0.8
319.05951	1.3
321.07547	0.8
333.07617	0.7
351.08630	1.1
361.07260	2.4
363.08664	1.5
365.06635	0.5
367.08267	0.7
379.08136	4.9
383.14966	0.8
389.06354	0.7
393.09641	0.7
395.07523	0.9
397.09149	17.9
398.09229	0.9
407.07837	2.4
409.09177	0.7
415.10187	0.6
425.08643	44.4
426.08954	1.0
447.15836	1.8
559.12329	1.3
559.20203	0.5
577.13385	44.0
578.13684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
53.14725	0.1
65.03931	0.1
67.43607	0.1
68.99780	0.7
70.95316	0.4
71.61338	0.1
72.23691	0.1
81.03393	0.3
109.02826	0.2
111.00787	0.2
119.04939	0.3
121.02837	0.4
123.04411	7.0
127.03902	1.2
134.79445	0.1
137.02322	6.2
137.03307	0.3
139.03871	1.4
143.04910	0.3
145.06505	0.2
147.04416	0.7
149.02312	1.1
151.03850	0.8
153.01851	0.2
155.03378	0.2
157.06493	0.2
161.05945	0.4
163.03867	0.4
165.01958	0.2
167.03409	0.2
169.06529	0.2
171.04391	0.5
173.05951	0.2
175.03882	0.6
175.07613	0.2
177.01784	0.3
177.05463	0.4
179.03339	0.2
185.05951	0.7
187.03864	0.2
189.05426	0.8
197.06029	0.2
199.03885	0.9
201.05411	0.4
203.03377	1.2
213.05463	1.3
215.06917	0.2
217.04942	0.3
227.03438	0.8
229.04942	0.2
231.06509	1.3
241.04944	0.7
243.06502	0.2
245.04359	1.1
247.06029	0.5
253.04950	0.2
255.06483	0.5
257.04474	0.3
259.05991	1.1
269.04407	0.7
271.05957	1.5
273.07584	0.2
283.05881	0.3
287.05457	100.0
288.05811	1.4
299.05429	2.1
311.05380	0.5
333.31378	0.2
335.05386	0.6
407.07162	0.2
419.07611	1.3
425.08633	14.1
426.09021	0.4
437.08655	5.5
451.27893	0.1
497.46439	0.1
541.10944	0.2
559.12402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
53.28418	0.6
55.01848	1.1
55.05492	1.8
57.03411	1.7
61.02895	2.0
62.06069	1.0
67.05493	5.1
69.03414	7.4
69.07062	3.2
70.06567	1.3
71.04963	2.6
71.08621	9.8
71.79755	0.6
71.80146	0.8
72.08128	2.9
73.02880	1.0
81.03401	3.8
81.07045	5.5
83.08594	0.6
84.04461	0.8
84.08131	1.6
85.02888	8.3
86.06053	23.6
87.04416	1.6
89.03873	0.8
91.05445	5.9
93.07021	5.8
95.04928	1.0
95.08015	0.8
95.08589	9.9
96.08112	5.3
97.02876	4.7
98.06018	1.7
98.09681	9.5
99.04413	2.9
99.08083	11.9
105.07013	2.8
105.57535	0.7
106.27859	0.6
107.04927	1.5
107.08553	2.0
108.08097	3.0
109.02840	1.9
109.06443	0.8
109.10120	4.0
111.04398	1.0
114.09131	1.2
115.03904	0.6
116.10714	59.0
117.03352	2.4
119.08553	11.3
121.06478	1.1
121.10104	1.4
122.09674	2.9
123.04403	2.7
123.08032	1.2
123.11735	0.6
124.07571	1.8
126.09114	1.1
127.03888	6.8
131.08463	0.6
133.10081	0.9
134.09618	0.6
135.04396	1.7
137.05937	0.7
137.09592	7.6
137.85632	0.6
138.09084	1.2
139.03883	2.3
140.10652	1.1
142.08618	4.8
143.10651	2.6
145.02826	4.7
145.04901	1.9
147.08002	3.2
147.11621	1.7
149.05952	0.9
153.65991	0.7
154.15863	2.8
155.10631	1.5
163.03961	2.8
165.09058	1.4
166.15845	1.9
167.07043	0.9
177.05431	7.1
178.15872	0.8
183.10071	1.9
196.16930	5.5
201.11244	2.7
208.13219	0.6
209.11676	1.2
214.17987	81.3
215.18448	0.8
220.16917	0.7
227.12758	1.2
231.10124	0.9
236.20062	0.7
238.17966	1.2
243.12231	1.3
245.04301	1.5
245.13762	2.1
247.05907	1.2
254.21129	6.2
256.19077	4.1
261.13260	4.5
267.06165	0.8
269.04395	1.2
270.04724	1.3
273.03836	5.3
274.04202	3.8
280.19061	7.2
281.08063	2.2
282.08310	3.2
285.03949	2.2
286.04218	2.6
287.05542	1.4
289.07254	0.6
295.05603	1.1
297.03986	1.3
298.20111	5.8
309.07483	2.8
310.07748	5.6
311.05081	0.8
312.05994	0.9
313.03427	0.7
313.07169	0.7
316.21140	100.0
317.21411	1.1
327.08588	19.0
328.08936	24.1
329.09814	2.9
330.10410	1.9
346.09943	1.2
351.12030	0.8
376.23251	9.9
383.14682	2.4
396.15286	3.4
396.27463	1.8
409.08890	0.8
414.28442	31.6
415.17566	1.0
431.13226	0.9
460.24808	0.9
478.26392	24.0
486.19244	0.8
490.14386	1.3
576.33728	18.7
577.33795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.8
55.05444	1.9
57.03378	1.5
60.05750	0.5
61.02870	1.1
62.06058	0.9
67.05491	3.9
69.03414	6.1
69.06989	1.8
69.07320	0.6
70.06513	1.4
71.04945	0.9
71.08623	6.8
72.08083	1.9
73.02867	1.1
81.03407	2.6
81.07050	3.2
83.04929	0.5
84.08067	0.7
85.02897	7.0
86.06059	22.6
87.04405	0.7
91.05458	5.1
93.07034	4.0
95.04929	1.0
95.08600	8.7
96.08125	4.1
97.02886	4.1
98.05984	1.3
98.09682	7.4
98.20733	1.1
99.04415	2.3
99.08090	8.9
105.06953	1.2
107.08553	1.2
108.08126	2.5
109.02831	2.5
109.06409	0.7
109.10143	3.0
110.09609	0.5
114.09093	1.0
116.10717	55.1
117.03307	0.9
119.08566	9.0
121.10098	0.9
122.09643	2.4
123.04446	2.7
123.07979	0.9
124.07509	1.5
126.09068	0.5
127.03899	5.8
129.06874	0.7
135.04311	1.5
137.09593	6.0
139.03844	1.2
140.10634	1.3
141.08952	0.5
142.08624	5.1
143.10683	2.8
145.02783	1.4
145.04898	1.5
147.08014	2.7
147.11688	0.5
151.03835	0.8
152.10580	0.5
159.45633	0.5
163.03827	1.1
163.14857	0.5
165.09065	1.1
167.18681	0.5
177.05469	2.5
183.10077	0.7
196.16956	0.8
203.03310	0.5
209.11681	1.1
214.17989	8.1
220.16975	0.6
227.12619	0.8
236.20198	0.7
238.17998	1.8
243.12253	1.1
245.13748	2.0
245.89116	0.5
247.06001	0.8
254.21138	6.7
256.19052	5.1
261.13266	3.9
262.17865	0.8
268.18951	0.7
275.05396	0.5
280.19064	7.5
287.05463	1.3
289.06961	0.5
298.20114	8.8
303.04907	0.5
310.08099	0.5
316.21143	100.0
317.21426	1.8
328.09100	0.9
376.23203	1.3
383.14828	1.2
396.27472	2.1
414.28458	28.3
415.28775	0.7
460.25513	0.6
478.26410	25.5
479.27237	0.7
504.04074	0.5
576.33826	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	575.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75254	1.4
54.14136	1.2
55.05496	3.5
57.07065	4.7
67.05484	6.2
69.07058	10.5
71.08617	1.6
71.62534	1.5
71.62859	2.5
75.80210	1.4
79.05475	2.8
81.07040	8.5
83.08599	3.2
87.04470	4.8
91.05474	3.2
93.07034	10.9
95.08591	6.0
98.04696	1.3
100.90160	1.5
105.07031	1.6
107.08570	5.1
109.10143	4.9
109.85747	1.3
119.08562	3.4
121.06470	2.0
121.10120	2.8
123.11697	3.1
133.10074	1.5
135.08038	2.1
135.11636	8.4
149.09607	1.7
149.13248	1.6
153.05438	6.4
159.08047	1.4
163.07564	3.0
165.05452	14.5
167.06938	1.3
173.09587	1.9
175.07561	1.6
176.08334	2.1
177.09070	5.2
179.07002	13.1
187.07535	1.7
188.29448	1.7
190.94965	1.3
191.07008	3.9
191.10619	3.7
192.07906	1.6
193.08624	4.2
205.08566	23.5
211.09555	3.1
215.10663	2.1
219.10152	12.1
223.09634	20.0
231.10107	8.5
233.11674	3.0
237.11256	12.9
243.10139	10.6
261.11185	14.7
269.10846	1.5
271.13260	5.1
274.83752	1.2
287.16397	68.2
289.14328	11.2
322.13934	1.4
327.19623	10.1
343.18869	2.1
345.20572	100.0
357.20456	11.1
359.22165	2.0
363.21600	5.8
376.90356	1.6
410.97736	1.9
413.26855	3.5
575.41382	3.3
575.50250	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	575.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35519	1.3
53.03939	6.6
55.01868	12.4
55.05504	54.1
57.03426	15.5
57.07065	4.5
59.04985	3.2
65.03925	3.9
65.46660	1.3
67.05495	100.0
69.03419	8.1
69.07059	33.0
70.09570	9.1
71.01366	1.6
71.04988	14.6
73.06536	1.5
76.48283	1.7
79.05480	77.3
80.05827	2.6
81.03406	38.6
81.07047	98.5
82.07386	1.6
83.04970	18.5
83.08612	27.9
85.02889	12.4
85.06513	9.4
91.05468	83.9
93.07032	72.9
95.04348	2.2
95.04957	32.7
95.08594	57.3
97.02889	4.0
97.06538	13.3
97.10149	18.6
99.04453	1.8
99.08079	7.1
103.05475	2.9
105.04550	2.2
105.07018	71.3
107.04948	18.5
107.08580	43.2
109.06509	12.5
109.10147	30.6
111.04409	3.7
111.08062	11.8
113.06002	2.1
113.09637	2.5
115.05419	3.5
116.06270	2.7
117.07011	28.1
119.04958	2.1
119.08565	48.9
120.66026	1.4
121.06488	12.2
121.10130	28.8
123.08053	10.9
123.11675	8.8
125.05927	2.2
125.09614	15.9
128.06207	6.6
129.06987	22.8
130.07806	2.1
131.08548	46.1
133.06531	7.8
133.10114	49.1
135.08029	17.3
135.11678	14.5
137.09624	6.9
139.11229	2.1
141.06976	7.3
142.07797	6.6
143.08530	23.1
145.06494	3.5
145.10092	32.3
147.08035	9.4
147.11661	18.7
149.09610	16.8
149.13249	6.9
151.11142	11.6
153.09114	2.2
153.12724	2.5
155.08562	9.8
157.10101	26.9
159.08063	5.5
159.11670	23.5
161.09578	10.8
161.13263	6.7
163.11186	7.7
165.12744	3.8
167.08585	5.8
167.10712	2.5
169.10089	13.3
169.12228	2.3
170.10869	1.6
171.08104	2.6
171.11682	14.3
173.09645	6.5
173.11821	2.6
173.13231	13.2
175.11130	11.3
175.14848	3.1
177.09105	3.8
177.12692	2.3
179.08504	2.3
179.10652	2.8
179.14359	1.7
181.10141	8.7
183.11690	12.7
185.09627	3.4
185.13263	9.0
187.11177	5.9
187.14780	3.9
189.11180	7.5
189.12714	3.7
189.16299	1.7
193.10345	3.2
193.12198	19.0
195.11635	7.4
197.13208	9.6
199.11256	3.1
199.13152	2.5
199.14830	6.9
201.12663	2.0
203.14334	2.3
205.12320	2.1
207.11720	2.3
209.13289	5.0
211.13229	19.6
211.14938	2.8
215.14430	2.9
217.15820	2.1
219.13763	1.5
223.14832	3.9
226.41083	1.5
227.12746	13.9
227.17967	2.4
229.14275	1.7
233.15431	2.2
235.14914	2.1
245.19061	4.2
245.30716	1.7
247.16817	2.1
251.12737	2.2
253.14346	12.2
257.19019	2.3
259.16690	1.8
259.20654	2.5
261.18597	1.9
263.19928	2.5
263.44775	1.6
267.15897	11.5
268.21262	1.6
273.18552	24.0
273.21777	2.2
275.20026	7.4
283.15424	2.8
283.20554	2.7
285.17020	5.8
285.22235	3.3
287.20065	3.7
291.19470	29.6
297.22134	2.0
299.23697	8.6
301.21741	1.9
309.20447	1.6
329.21155	3.0
339.23407	2.3
343.22949	1.9
347.21899	9.2
349.23907	2.2
353.24811	2.6
357.24213	2.3
365.23160	7.3
415.30008	3.7
421.25974	4.4
433.30997	16.0
443.28537	1.9
451.32184	10.3
463.26825	4.7
465.28665	1.8
466.30591	1.7
469.32690	7.9
499.34344	2.6
507.34677	6.5
517.35669	10.0
525.35712	51.4
526.35632	2.0
539.33398	2.4
543.36774	54.2
544.37042	2.7
557.35748	18.0
575.35406	55.1
576.36346	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.4
53.03947	9.4
55.01867	23.5
55.05505	52.3
57.03434	14.1
57.07071	3.6
57.69187	1.6
59.04978	4.1
63.88148	1.6
65.03952	4.0
67.05136	3.8
67.05496	74.2
69.03410	13.0
69.07059	44.8
69.67842	7.8
69.68270	8.4
71.01337	2.1
71.04987	9.4
77.03880	2.2
77.26295	1.5
78.15043	2.0
79.05482	81.1
81.03407	49.7
81.07044	89.3
82.55617	1.5
83.04968	23.8
83.08608	36.2
83.35284	1.7
85.02897	16.8
85.06533	4.3
88.42873	1.7
91.05466	77.9
91.06043	3.8
92.05766	2.3
93.07031	59.5
95.01324	1.8
95.04954	40.4
95.08591	40.4
97.02875	9.9
97.06525	15.9
97.10154	31.3
99.04419	2.4
99.08090	4.1
103.05443	3.6
105.07016	59.9
107.04937	29.3
107.08574	42.1
107.09116	1.1
109.02859	2.4
109.06499	21.6
109.10152	19.6
111.04427	7.7
111.08058	9.3
113.05986	3.4
115.05457	3.9
117.07003	19.4
119.07735	3.4
119.08566	54.1
119.09410	3.6
120.48434	2.2
121.06518	11.0
121.10144	20.9
123.04470	1.9
123.08055	15.6
123.11673	8.4
125.09628	24.3
128.06180	4.2
129.06978	17.8
131.08543	28.3
133.06459	10.4
133.10121	27.5
135.08043	12.8
135.11664	15.1
137.09610	5.5
139.07483	2.0
141.06938	4.7
142.07761	6.7
143.08522	11.1
145.06464	5.1
145.10101	27.1
147.08020	13.5
147.11670	23.9
149.09593	16.2
149.13231	5.5
151.11156	3.7
153.09074	2.5
155.08548	5.3
157.10101	14.9
159.08069	3.9
159.11670	12.9
161.09633	8.1
161.13222	3.0
163.11163	20.1
165.09138	3.5
165.12785	5.3
167.08531	2.8
169.10092	4.0
171.10379	1.8
171.11700	7.6
173.09605	4.6
173.13278	5.2
175.11176	13.7
177.09045	2.3
177.12695	3.2
181.10124	2.7
181.12250	2.6
183.11667	3.4
185.09668	2.1
185.13239	2.5
187.11148	5.0
187.13249	2.7
189.09610	2.8
189.11212	16.0
191.10854	2.1
193.12201	27.7
195.11731	2.1
195.13696	2.0
199.14787	2.7
201.12685	2.5
203.14310	2.2
205.12279	2.1
209.11754	4.4
211.13229	29.4
219.11990	2.0
219.13770	10.5
221.27759	2.0
223.13194	18.6
227.12711	20.7
227.14471	2.0
229.19569	3.0
239.17953	2.4
245.13779	2.2
245.18956	3.5
249.14870	4.3
253.14291	4.2
255.17581	3.2
257.19009	5.0
263.20087	2.1
265.14606	1.8
267.15851	36.6
267.18442	2.6
273.18439	30.6
275.20001	29.3
283.15375	19.9
285.17010	5.6
289.17999	2.6
291.19501	88.3
313.21658	4.8
315.19778	3.4
329.20911	2.3
331.22809	2.6
347.22128	6.6
349.23849	8.7
365.23199	10.9
389.23141	3.1
424.53622	1.9
445.25650	2.5
447.28854	3.6
459.27673	2.5
463.26358	3.1
465.29797	3.3
474.18106	2.4
477.28430	8.5
483.31094	4.2
500.93051	1.9
501.32169	2.5
539.33588	8.1
557.34668	69.3
575.35760	100.0
575.50269	3.6
576.35535	2.9
580.88257	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01867	0.5
55.05491	1.3
57.03414	0.7
59.30658	0.3
60.49299	0.3
61.02924	0.4
67.05492	2.4
69.03372	0.7
69.07056	4.0
71.80151	0.4
79.05473	1.1
81.03397	1.2
81.07038	1.6
83.04954	0.5
83.08606	0.6
85.02887	2.2
85.06520	0.4
91.03915	0.3
91.05467	1.4
93.07028	1.4
95.04939	0.8
95.08556	1.1
97.02859	0.9
105.07018	1.4
107.04959	0.4
107.08569	0.8
109.06490	0.7
109.10124	1.1
111.04420	0.4
117.06975	0.4
119.08558	0.9
121.10107	0.6
123.04419	0.5
123.11660	0.5
127.03853	0.7
129.06964	0.7
131.08557	0.5
133.10104	0.5
134.78252	0.3
135.11610	0.3
142.61418	0.3
145.04964	0.3
145.10136	0.4
147.11803	0.4
153.01849	0.6
155.08524	0.5
159.07942	0.4
163.03876	0.7
167.08597	0.3
173.09560	0.3
175.11179	0.3
185.09607	0.3
193.12210	0.8
211.07521	0.6
217.04921	0.8
224.39473	0.4
229.04871	1.4
231.02892	0.5
235.07539	1.1
241.05048	0.3
243.06471	0.4
245.04449	3.9
253.08549	1.7
256.03564	0.4
257.04446	3.6
260.03076	0.4
263.07053	1.1
266.05710	2.8
267.06494	0.5
269.04422	5.1
273.03894	14.4
273.18286	0.4
275.20093	0.4
281.04776	0.8
281.08020	15.6
283.05997	0.5
283.09546	0.4
285.03918	14.1
285.07297	0.7
286.04474	0.5
293.07986	0.6
294.05167	3.3
297.03851	2.6
298.04602	0.6
299.05426	0.9
299.08951	0.8
303.04977	0.5
309.07529	23.7
310.07718	0.7
311.05405	2.5
311.08847	0.7
312.06256	2.7
321.07501	1.8
325.06796	0.5
327.08572	100.0
328.08963	1.6
329.10141	6.6
339.08563	6.0
345.09769	2.3
357.09683	0.7
359.23120	0.3
377.13739	0.9
395.14832	15.8
413.16122	2.9
489.13913	1.8
517.12085	0.4
557.20514	0.4
557.34448	0.5
575.32947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.118
Annotation	Luteoskyrin
Peak:m/z	Relative Intensity
55.01855	2.4
65.03939	1.2
68.77071	0.7
68.99776	2.7
71.26988	2.5
83.04991	0.9
84.08121	0.9
85.02879	1.8
91.05469	1.9
93.03387	1.4
95.04964	1.7
97.02886	1.6
103.05428	1.4
107.04939	2.5
111.04441	3.7
115.63740	0.8
119.04945	1.6
121.02850	1.5
123.04406	9.5
127.03847	1.0
131.04907	1.3
135.04401	8.9
137.02350	1.9
137.05919	1.5
139.03880	56.5
143.04930	1.6
147.04387	13.3
149.02359	1.6
149.05972	2.0
149.28020	1.0
151.03909	3.5
155.04961	0.9
159.04437	3.2
161.05971	3.0
163.03891	35.0
173.02266	1.1
175.03871	7.6
176.04572	1.1
177.05394	4.6
179.03409	1.1
179.08511	0.8
181.04874	4.9
187.03870	10.1
189.05373	1.7
191.03369	7.2
191.08493	1.2
192.08098	0.8
193.04999	1.3
197.05943	1.3
199.03899	2.5
201.05402	0.9
203.03363	4.4
205.04930	3.8
205.06609	1.8
207.02979	1.0
207.08093	1.2
213.05428	1.7
215.03474	2.3
216.04156	1.3
217.04887	1.8
219.08035	2.0
221.06070	1.5
225.05698	0.9
229.04875	4.4
231.08102	1.7
233.06029	1.9
235.07526	3.4
237.05490	2.1
244.03638	2.0
245.04266	8.0
247.07643	6.1
249.05478	2.3
251.07030	3.5
253.04980	1.9
257.04221	1.8
258.05011	1.0
259.07526	1.6
261.05292	1.2
263.07007	7.8
265.05011	1.4
265.08646	1.7
267.06497	3.1
269.04419	1.6
271.07605	1.0
273.05411	3.8
274.06412	1.1
275.06934	4.3
277.04471	0.9
277.08536	1.8
278.05820	1.2
279.06567	4.7
281.04456	1.5
281.07932	1.5
282.05045	0.8
283.05896	2.1
287.05536	1.2
287.06885	1.2
290.05881	1.0
291.06430	6.3
292.07275	2.0
293.05029	1.0
293.07816	4.1
295.06061	3.1
297.07318	1.4
299.05640	0.8
301.04996	2.2
302.05560	2.2
303.06509	8.2
304.07095	1.3
305.04651	1.3
305.08054	2.6
307.06055	2.4
308.06894	0.9
309.07449	4.8
315.06543	2.1
317.08179	1.4
318.05249	1.1
319.05939	12.5
320.06766	1.7
321.07397	4.3
323.05374	2.3
323.08929	1.1
324.06027	1.3
327.06311	1.1
331.05991	6.1
332.06506	1.1
333.07736	3.8
335.05432	6.2
337.07037	6.9
338.07434	1.5
339.08691	1.3
343.06015	1.2
345.07458	2.9
347.05237	4.3
348.06311	2.4
349.06943	6.5
350.07718	1.1
351.08649	7.7
353.06467	11.6
355.08371	1.4
357.07352	1.2
361.07104	3.7
363.04852	2.2
363.08719	3.2
365.06516	12.0
366.07333	6.9
367.08066	25.5
368.08444	0.9
373.07245	1.9
377.06494	5.6
378.07416	1.3
379.08090	11.5
383.07516	4.4
389.06506	2.8
391.08340	2.9
395.07565	58.2
396.07846	1.2
405.06119	2.1
406.06833	1.1
407.07504	19.0
407.12473	1.4
409.09219	3.3
419.07608	4.6
423.07312	0.9
431.07568	1.1
437.08536	7.2
477.36771	1.3
488.54688	0.9
493.09317	1.0
511.10098	4.1
529.11414	10.5
539.09656	35.2
540.10040	1.3
547.12415	1.0
557.10730	100.0
558.10760	2.0
575.11700	45.9
576.11975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53351	0.9
55.05505	10.0
57.03436	6.2
57.07066	34.6
65.03918	0.9
67.05495	37.1
67.67889	0.9
69.07064	8.4
70.06210	3.3
70.06622	2.0
71.04980	15.9
71.08255	1.7
71.08624	22.0
77.90305	1.0
79.05479	7.7
81.03352	1.1
81.07047	66.8
82.07372	2.1
83.04973	1.8
83.08614	12.3
85.06532	5.9
85.10170	10.4
87.04449	13.5
89.06002	1.0
89.21400	1.1
91.05467	13.8
92.44677	0.9
93.07020	12.6
94.07418	1.0
95.04958	1.7
95.08591	22.3
96.08955	1.2
97.06525	2.7
97.10146	4.8
99.58870	1.0
105.07015	9.0
107.08573	9.7
109.06510	2.5
109.10141	12.6
117.07000	2.4
119.08614	1.2
121.06503	1.1
121.10126	3.8
123.11691	14.5
131.08574	2.3
133.10127	12.9
135.08051	1.6
135.11696	3.1
137.13341	1.4
147.11639	1.4
149.13239	3.2
151.11121	4.8
154.45769	1.0
159.11670	3.0
169.12213	1.5
177.12692	1.5
183.13757	2.4
187.13313	3.8
190.79486	1.0
191.10675	2.6
195.13762	2.0
239.23732	1.3
269.17368	5.0
301.20084	20.9
313.27301	24.6
314.27747	1.2
373.27325	3.4
481.38843	100.0
482.39151	4.5
495.40387	4.0
507.40384	4.1
539.43018	60.0
540.43353	3.4
574.40039	2.1
574.48975	8.5
575.37646	1.2
575.49524	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	573.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	41.3
69.03382	2.1
71.76673	0.9
71.95222	1.9
74.97572	1.7
81.03423	0.9
84.96021	18.1
85.02847	3.4
89.03878	1.8
97.02847	1.5
98.97567	86.5
100.99100	1.4
102.97010	2.1
110.97542	18.7
112.99144	0.9
113.08147	0.9
115.00663	1.3
116.98605	55.1
118.06977	0.8
124.99102	9.6
127.03846	1.5
128.98592	34.3
131.00072	3.0
134.99641	23.5
135.04344	1.7
140.00110	2.0
140.98564	9.7
143.00142	51.5
144.98059	2.9
145.01663	1.7
145.02763	2.6
146.99629	20.8
149.01189	1.5
152.00130	1.5
152.98581	5.2
153.00647	1.9
155.00150	1.8
158.01187	1.8
158.99625	42.8
159.03206	1.6
161.01204	60.1
162.99080	3.8
163.03900	16.4
164.04182	1.4
165.00656	2.9
166.01750	1.3
168.00078	1.0
168.98070	1.5
169.01721	1.4
170.99625	42.4
173.01160	3.1
174.99065	2.3
175.02690	3.0
177.00691	38.4
179.02251	9.4
181.00087	1.5
182.99608	15.5
184.02826	2.1
185.01241	8.5
185.02805	1.6
186.99138	7.7
187.02695	3.5
189.00684	53.3
191.02238	1.6
195.01660	4.0
200.02217	1.4
201.00681	73.0
202.01021	1.0
203.00543	1.4
203.02237	14.5
204.98410	1.4
205.00174	21.6
207.01761	8.1
211.02710	2.0
212.02264	2.2
213.00630	9.0
217.03702	1.2
219.01730	73.9
221.03333	1.5
223.01181	10.1
224.02202	1.8
225.00435	1.1
226.03650	1.1
226.06866	0.9
227.02113	2.1
227.78973	1.0
229.00195	1.6
229.03737	1.6
230.98108	1.7
231.01717	12.9
233.03160	1.3
237.00548	17.8
237.02718	28.8
242.03239	2.6
242.99358	1.4
243.01750	26.3
245.03204	2.6
246.00308	1.9
247.01245	4.6
247.04782	1.3
248.99123	7.7
249.02800	15.8
251.02017	1.7
255.01714	23.9
255.03920	2.1
260.04279	1.6
261.02783	100.0
262.03232	1.2
266.97540	1.3
267.00104	13.6
267.03726	12.9
269.03256	1.6
272.00842	0.9
272.99503	2.1
273.02753	35.7
277.05795	1.2
278.03278	1.4
279.03854	52.1
284.04315	1.5
285.01437	1.3
285.04706	5.5
287.04178	3.3
289.02301	1.8
291.00043	14.3
291.03668	37.1
297.04971	1.0
302.05209	3.4
303.00180	1.3
303.03644	2.6
305.05530	1.3
307.03125	2.8
309.01102	6.8
309.04730	12.3
311.02225	1.7
314.05304	1.9
315.01450	1.3
315.03949	0.9
319.04736	1.1
321.01514	4.2
321.04861	57.6
322.05319	0.9
323.04178	4.2
327.05692	3.9
329.03320	1.2
331.03406	1.8
333.05045	9.7
339.05704	3.0
345.04770	1.2
347.04248	2.5
349.02115	1.5
351.06030	26.3
363.05676	4.1
365.05365	1.7
367.03079	2.0
371.00824	0.9
375.02063	8.4
375.06262	0.8
381.07010	29.4
387.05750	1.0
393.03104	18.2
399.03409	1.0
399.08075	20.9
411.04761	22.2
422.09277	1.5
429.06982	36.0
435.07684	3.1
441.09030	1.2
447.07693	2.2
452.08270	1.1
453.06989	36.3
465.06760	1.5
469.08432	8.6
471.08102	16.5
477.08560	2.3
483.07803	3.6
493.08130	1.8
511.09521	1.8
537.07422	9.4
555.07990	27.3
556.08832	1.2
573.09296	48.7
573.24854	1.5
574.09729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
56.96552	1.0
57.03410	0.3
61.02908	0.4
69.03421	0.4
70.83001	0.4
70.83377	0.4
73.02908	1.4
79.05474	0.7
85.02892	0.9
89.03902	1.1
91.05439	1.3
93.07047	1.6
95.04945	0.5
97.02883	0.6
98.97562	0.5
103.05441	6.2
103.06091	0.4
107.04939	1.9
109.02764	0.2
109.06496	0.4
116.98586	0.7
117.03357	0.8
119.04891	0.5
120.08085	100.0
121.06499	0.6
121.08417	1.1
123.04388	0.2
127.03912	0.5
128.98579	0.3
131.04901	3.1
132.05263	0.2
133.02835	1.5
134.99632	0.4
135.04393	1.9
136.04701	0.4
137.05963	0.9
137.16020	0.2
139.50212	0.2
143.00089	0.2
145.02808	1.4
145.04915	0.3
146.03136	0.3
146.99637	0.3
147.04350	1.8
148.05125	0.3
149.05949	3.0
151.03868	0.3
153.01807	0.4
159.04355	0.6
161.01245	0.5
163.03889	10.7
164.04234	2.3
165.05495	1.7
166.08614	54.0
167.07027	1.6
167.08920	0.5
176.04779	0.2
177.00645	0.3
177.05458	3.3
185.89151	0.2
189.00655	0.3
191.07199	0.3
191.28322	0.2
197.08080	3.6
201.04364	0.3
209.08061	4.4
213.60358	0.2
219.01779	0.5
227.09074	2.3
231.01689	0.4
237.02823	0.9
255.01648	0.5
261.02655	0.3
273.02829	0.8
289.57642	0.3
313.58530	0.3
337.02194	0.7
338.02451	0.3
355.03171	0.5
396.11261	0.3
453.06943	0.3
512.07660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.4
55.05504	12.7
56.05030	3.8
57.07066	8.7
60.04520	62.5
60.07360	1.8
67.05496	16.8
69.07063	18.5
70.06579	2.5
71.08609	5.0
71.81502	2.4
71.81897	2.1
72.04501	3.8
79.05487	10.7
81.03402	3.3
81.07042	20.7
82.06578	3.3
83.08618	8.7
84.08140	2.1
85.10175	3.0
86.06045	2.4
89.06025	11.9
90.05576	3.4
91.05490	10.1
93.07034	10.9
94.06571	4.0
95.08608	16.0
96.08121	2.4
97.06551	2.6
97.10156	6.1
104.42087	1.8
105.06998	4.6
107.08597	6.1
108.08125	2.5
109.10180	4.3
110.75275	1.5
111.11691	2.9
112.07617	2.7
119.08586	5.7
121.10145	5.7
133.08595	6.0
133.10138	5.4
135.11671	2.2
177.11229	3.1
232.01826	1.8
245.22592	2.7
250.25362	2.3
262.25266	26.2
263.23727	6.0
272.25812	6.7
280.26328	32.5
298.27335	10.9
316.28281	3.0
371.22690	5.4
437.72238	1.9
510.45413	1.8
516.47437	4.0
534.48761	17.9
549.19495	2.0
552.49872	100.0
553.50299	2.1
565.91986	3.7
570.50488	12.9
570.58203	2.7
571.47217	13.3
594.87848	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	569.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	6.4
67.05490	5.4
69.07065	22.0
70.06579	3.0
71.08617	4.6
71.81831	4.7
77.65779	2.6
81.07041	9.7
83.01353	3.2
83.08591	4.7
88.07601	4.4
91.05469	4.7
93.07044	8.3
95.27470	2.8
105.07015	10.7
107.08625	4.0
113.01926	3.1
117.07004	4.3
119.08585	7.4
121.10110	13.9
123.11704	10.6
131.08582	3.8
133.10124	11.9
135.11702	5.3
143.08557	4.3
145.10136	5.3
163.07471	3.4
165.05501	15.4
177.09081	4.4
180.02333	2.9
182.95502	2.9
191.07050	5.5
192.43304	3.1
205.08612	35.2
223.09625	14.6
229.08649	3.0
243.10046	3.9
261.11237	5.3
283.13287	4.1
284.29483	5.1
285.14838	20.6
285.29919	5.3
311.29358	5.2
312.29712	4.1
325.14221	5.9
325.17859	7.5
327.15912	3.9
342.18094	4.2
343.19019	76.5
345.20389	4.1
365.17575	7.0
367.18918	6.6
369.20816	3.8
372.83270	3.2
381.20636	6.4
407.25681	6.5
411.25357	3.9
449.26846	28.5
463.27927	4.1
464.29166	100.0
465.29987	27.8
483.31009	4.2
533.36359	10.1
568.56427	10.1
569.56726	13.2
581.10980	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.4
57.07069	11.0
59.05004	2.7
65.03928	3.0
65.38618	2.2
67.05492	17.5
69.07060	20.3
69.49126	5.1
69.49517	23.2
71.08637	3.0
79.05488	25.8
80.06257	3.4
81.07047	45.8
82.07388	3.0
83.04975	3.1
83.08607	7.4
85.10192	2.2
88.07622	3.1
91.05469	45.3
91.95135	2.4
92.06261	3.0
93.07038	55.0
94.07864	2.5
95.04956	39.5
95.08595	37.6
96.08920	3.3
102.09168	3.1
103.05470	3.1
105.07017	87.5
106.07803	5.4
107.08577	55.4
109.06502	5.0
109.10149	27.4
110.10471	2.6
113.12480	2.2
115.05472	5.4
117.07008	27.7
119.08563	100.0
120.09361	9.5
121.10127	34.0
122.10390	3.2
123.08051	18.9
123.11722	9.6
128.06224	7.4
129.06987	18.0
130.07784	6.5
131.08557	58.8
132.09334	10.3
133.10118	59.9
134.10880	5.5
135.08029	7.2
135.11693	18.6
137.09584	6.8
137.13257	2.8
138.10382	9.3
141.06961	6.5
142.07765	19.6
143.08543	57.5
144.09346	13.9
145.10109	98.5
146.10812	4.4
147.11662	25.4
148.12308	2.3
149.13228	7.4
151.11176	3.6
153.06981	4.8
154.07784	2.5
155.08531	15.4
156.09351	12.5
157.10117	59.0
157.11420	3.1
158.10901	12.1
159.08034	4.4
159.11674	39.2
160.12448	4.3
161.09616	8.0
161.13214	11.7
163.11122	2.4
163.14803	3.7
165.06981	6.1
166.07736	2.8
167.08569	7.5
168.09332	4.2
169.10112	27.0
170.10896	8.3
171.11674	34.4
172.12436	8.6
173.13248	31.1
175.11174	2.2
175.14787	18.7
177.12746	6.0
177.16434	6.8
178.16751	3.2
179.08475	11.8
180.09282	3.3
181.10063	19.4
182.10893	6.4
183.11690	30.6
184.12465	7.4
185.13235	25.9
186.14055	6.3
187.14816	20.2
189.12778	5.3
191.14250	11.3
192.09332	2.5
192.15115	3.9
193.10104	9.3
194.10936	9.6
195.11667	23.1
196.12471	8.9
197.13239	29.5
198.14014	4.9
199.14787	15.3
200.15428	2.9
201.12737	3.3
201.16382	9.0
203.14304	3.5
203.18015	6.6
204.18323	5.1
207.11768	12.0
208.12465	4.3
209.13284	28.1
210.14139	2.8
211.14763	19.3
217.15916	4.9
219.11670	3.9
219.17351	3.3
220.12407	3.3
221.13271	12.3
223.14836	10.0
224.15512	4.4
225.16394	9.5
229.15807	3.5
233.13219	2.9
235.14919	8.2
237.16405	7.9
239.17993	3.1
241.19582	4.1
247.14871	4.2
249.16325	6.8
257.19238	3.7
261.16330	4.4
263.17911	5.6
265.19470	4.2
267.20963	2.9
271.20728	2.7
273.16162	2.7
275.17902	2.9
277.19516	3.3
283.20578	6.0
283.26297	3.6
284.29556	6.1
285.22043	3.9
297.22049	4.0
311.29483	7.0
312.32803	4.4
323.23697	5.2
337.25363	5.0
338.26019	53.8
351.26666	4.4
400.95001	2.5
420.30536	3.8
430.32291	16.3
458.35547	3.1
476.36365	26.0
550.40869	4.6
568.42773	49.3
568.56262	25.7
569.88196	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	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
55.05501	8.4
57.07065	7.1
59.04987	1.7
63.02369	1.5
63.98862	1.4
65.03923	2.4
67.05487	16.6
69.03412	2.9
69.07061	12.0
71.04417	2.6
71.04778	3.2
71.08622	1.5
79.05479	21.9
80.06251	2.7
81.07040	37.2
83.04951	1.9
83.08601	4.7
85.06535	2.7
91.05466	40.9
92.06239	3.2
93.07027	46.1
95.04954	43.2
95.08593	25.9
97.06522	2.6
103.05465	5.0
105.07014	76.1
106.07818	4.9
107.08576	39.5
108.09372	2.5
109.06494	6.0
109.10152	15.3
111.01745	1.5
114.35925	1.3
115.05431	6.1
116.06250	1.5
117.07004	28.9
118.07823	2.5
119.08563	100.0
120.09404	7.4
121.06512	1.5
121.10124	28.2
123.08044	15.7
123.11698	6.2
125.09639	2.2
128.06186	8.2
129.06979	20.2
130.07745	9.7
131.08553	48.0
132.09386	9.4
133.10106	47.8
134.10849	4.8
135.08041	5.5
135.11673	17.4
137.09595	4.6
138.10405	8.0
139.11180	2.2
141.06989	6.2
142.07762	17.9
143.08539	41.7
144.09323	14.7
145.06384	1.7
145.10100	88.0
146.10854	5.7
147.08020	3.1
147.11667	23.9
148.75053	1.4
149.09633	7.1
149.13251	4.4
151.11142	3.1
153.06979	2.7
154.07724	2.0
155.08521	18.2
156.09326	17.1
157.10107	45.9
158.10892	13.9
159.08107	1.4
159.11673	37.3
160.12453	4.4
161.09592	5.9
161.13199	10.8
163.11200	4.0
163.14841	2.2
165.07011	3.5
166.07777	2.3
166.18321	1.5
167.08527	9.4
168.09314	4.3
169.10106	27.7
170.10880	9.2
171.11664	36.5
171.25699	1.6
172.12427	6.6
173.13226	28.2
174.13986	1.7
175.11322	1.8
175.14792	23.6
175.16209	1.8
177.12701	6.9
179.08525	8.3
180.09372	3.3
181.10112	15.2
182.10873	8.1
183.11676	25.9
184.12454	4.6
185.13231	24.6
186.14021	8.0
187.14810	13.9
189.12759	4.4
191.14276	9.6
192.09375	2.5
192.15041	3.9
192.60693	1.5
193.10162	7.2
194.10823	9.3
195.11623	15.6
196.12416	8.4
197.13232	29.6
198.14056	6.4
199.14828	12.4
200.15602	1.5
201.12773	4.3
201.14691	1.3
201.16257	7.3
202.19534	1.4
203.14293	3.1
206.10997	2.7
207.11693	9.7
208.12500	4.6
209.13211	23.5
210.14041	4.5
211.14781	16.6
212.15619	2.2
213.16373	5.8
217.15894	5.4
219.17384	2.7
220.12439	2.8
221.13269	8.0
222.13983	3.8
223.14764	10.7
224.15602	5.2
225.16353	7.7
226.17125	2.3
227.17953	2.3
230.16533	1.7
231.11531	2.2
231.17453	1.9
233.13275	3.3
234.13727	2.0
235.14755	6.7
237.16444	9.0
238.36140	1.4
239.17992	6.0
241.19534	4.8
245.13200	1.9
247.14787	3.2
249.16370	4.3
251.17883	4.9
252.18663	1.8
253.19447	2.0
255.17450	1.8
257.18976	2.6
259.14774	2.5
259.20575	2.8
260.15530	1.4
261.16370	3.7
263.17987	4.8
264.18515	1.9
265.19543	5.9
267.20938	2.3
270.19766	1.6
271.20566	2.0
272.21521	1.7
273.16440	2.0
275.17889	3.1
276.18466	2.4
277.19589	2.1
278.20505	1.4
279.21042	2.7
281.18906	2.6
283.20639	4.1
285.22144	3.7
290.27060	1.4
291.20956	1.9
292.32242	1.5
297.22156	4.0
305.22604	3.3
320.24899	2.2
323.23682	5.7
337.25195	3.7
338.25977	59.5
339.26648	1.9
349.25143	2.3
351.26776	2.4
415.30109	2.5
420.30402	2.8
430.32242	17.9
458.35471	1.7
476.36420	25.4
568.42639	45.6
568.56604	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	568.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01857	1.5
55.05310	0.8
55.05505	7.8
56.05028	0.9
57.03418	3.2
57.07063	2.8
58.06594	2.4
59.04987	2.4
61.02908	2.7
67.05493	18.4
69.03421	10.2
69.07064	9.4
70.06572	2.4
71.04974	3.1
71.12360	2.9
73.02900	1.4
79.05478	4.2
81.03400	4.9
81.07050	13.7
82.06566	7.4
83.04964	2.6
83.08598	4.3
84.08126	1.3
85.02893	25.9
85.06510	1.6
91.03940	1.2
91.05461	6.2
93.05789	1.3
93.07037	10.3
94.06559	6.5
95.04945	2.6
95.08582	12.1
96.08105	3.7
97.02871	9.9
97.06517	1.5
97.10137	2.2
98.09645	1.0
99.04482	1.4
99.08060	1.0
100.07555	1.1
104.07038	0.9
105.07021	11.9
106.06528	1.4
107.07350	2.0
107.08569	20.6
108.08090	12.1
109.02861	2.6
109.06491	1.6
109.08965	1.3
109.10143	31.4
110.05995	1.6
110.09658	3.5
111.08099	1.8
112.07561	3.1
117.07001	1.4
119.08557	8.2
120.08092	3.5
121.08855	3.1
121.10118	14.3
122.09637	12.3
123.10411	1.3
123.11687	3.9
124.07597	1.4
124.11217	11.3
126.09114	1.7
127.03935	5.2
127.66119	1.0
130.73677	0.9
131.08504	4.5
133.10098	11.0
134.09627	8.6
135.10391	2.2
135.11664	5.8
136.11186	9.7
137.12025	1.0
137.13223	2.5
138.09097	1.6
138.12755	3.2
139.11250	0.9
143.08536	1.5
144.09338	0.9
145.04900	4.4
145.10136	2.5
147.10519	1.4
147.11658	9.0
147.89363	0.9
148.11203	7.3
149.12074	2.0
149.13226	20.3
150.12762	37.5
151.13564	3.6
152.10703	3.8
152.14363	3.1
153.11433	1.3
160.11169	1.2
161.13245	1.7
162.12726	1.9
163.14799	2.6
164.14374	5.1
165.12801	1.4
166.12257	3.0
166.15898	1.9
168.13823	2.1
173.13248	5.3
175.14833	2.9
178.15863	8.1
180.17461	9.0
184.16977	2.0
190.15874	35.2
191.14229	3.0
196.16960	2.4
198.18492	1.4
208.16937	46.6
209.15353	2.4
210.18430	1.0
226.17992	53.8
244.19051	100.0
272.65549	0.9
279.00125	0.9
388.23111	8.8
400.69144	1.0
406.24313	72.3
495.09082	1.2
568.29407	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	568.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01855	1.5
55.05308	0.6
55.05500	6.6
56.05032	1.3
57.03423	3.5
57.07059	2.2
58.06576	1.0
60.04507	1.3
61.02909	4.5
67.05493	10.4
68.05013	1.8
69.03414	13.4
69.07059	8.8
70.06577	2.5
70.40323	3.3
71.04970	2.3
72.08131	2.7
73.02895	1.1
73.06544	6.9
76.64246	0.6
79.05473	8.4
80.05021	0.9
81.03410	5.8
81.07042	17.3
82.06554	2.3
83.04966	2.0
83.08598	5.1
84.04467	1.9
84.08115	1.7
85.02890	30.9
85.06491	1.2
86.06030	1.2
87.04422	1.8
91.03905	1.2
91.05456	7.6
93.05762	1.0
93.07027	24.8
94.06525	3.4
95.04935	2.4
95.07996	1.6
95.08588	28.9
96.08112	9.8
97.02877	12.1
97.06490	2.1
97.10146	0.9
99.04433	1.9
99.08044	1.9
104.07043	0.9
105.07014	9.6
106.06548	2.1
107.07374	1.7
107.08578	29.9
108.08114	5.0
109.02850	3.9
109.06534	0.9
109.10133	18.7
110.06016	1.4
110.09633	1.7
111.08104	3.6
112.07584	1.9
117.06979	2.1
119.08556	13.3
120.08094	3.9
121.06355	0.8
121.08829	1.4
121.09176	0.9
121.10122	17.7
121.92422	0.6
122.09639	15.1
122.10512	0.8
123.08058	1.4
123.11681	8.5
124.07537	2.9
124.11212	1.6
125.09646	1.0
126.09126	2.0
127.03911	5.6
129.64809	0.6
131.08530	5.7
133.10100	6.7
134.09621	8.6
135.08015	1.7
135.11659	2.8
136.11189	7.5
137.09546	3.3
137.13216	2.5
138.09105	2.5
138.12767	0.9
139.07434	1.5
140.10724	1.0
144.09326	0.8
145.04912	4.0
145.10098	3.7
146.09613	1.2
147.04306	1.3
147.11658	4.0
148.11183	6.0
149.13225	21.9
150.12755	4.4
151.11172	2.1
151.14792	3.7
152.10654	4.2
153.11440	2.3
154.12212	2.5
155.10623	1.3
156.10190	1.8
158.10919	1.9
161.13213	3.2
162.12730	1.5
163.11075	0.9
163.14784	5.2
164.14337	3.4
165.12695	0.9
165.95068	0.6
166.12239	5.3
166.15889	8.8
167.14252	1.6
173.13217	6.6
176.14284	0.8
178.15839	4.0
179.14351	1.2
180.17407	0.8
182.15341	0.9
184.16949	6.1
190.15887	8.6
191.14287	7.5
196.16936	1.4
206.15355	0.8
208.16933	45.5
209.15327	3.0
209.17247	0.9
210.18440	1.7
226.17979	51.6
228.19518	2.6
241.08508	1.0
244.19046	100.0
245.19337	1.6
256.19028	1.0
268.18994	1.8
286.19760	1.0
287.05356	1.2
288.16544	0.7
315.07065	0.7
325.77701	0.8
328.21112	2.4
352.21066	0.9
370.22186	2.0
388.23248	28.4
406.24310	32.9
550.28351	1.3
568.29352	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	568.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01861	1.4
55.05502	6.9
57.03428	4.5
57.07059	2.9
58.06591	1.8
59.05001	1.9
60.04508	0.9
61.02914	3.0
64.42767	0.6
67.05492	14.5
68.05009	1.8
69.03417	10.4
69.07056	10.6
70.06574	5.5
71.04963	2.9
71.80563	1.3
72.08107	1.7
73.02898	1.9
73.06538	2.0
79.05473	7.1
80.04980	0.7
81.03393	5.9
81.06594	1.4
81.07043	13.7
82.06571	5.8
83.04958	2.6
83.08593	3.3
84.04495	1.3
84.08167	1.1
84.81807	0.7
85.02892	28.1
85.06522	1.0
87.04465	1.9
91.05458	6.2
93.05775	1.0
93.07032	14.8
94.06552	6.3
95.04964	1.5
95.08591	19.6
96.08111	5.4
97.02876	9.8
97.06503	1.6
97.10133	1.5
98.06049	0.8
98.09647	1.4
99.04427	2.1
104.07080	2.8
105.07013	9.8
106.06567	0.9
107.08575	23.9
108.08101	8.6
109.02861	3.8
109.06498	1.5
109.08948	1.0
109.10139	23.8
109.63748	0.8
110.09645	2.8
111.08049	3.3
112.07560	1.8
112.11236	0.8
117.06995	1.6
119.08558	8.9
120.08080	4.3
121.08851	3.2
121.10127	15.1
122.09646	15.4
123.04420	1.6
123.08082	1.2
123.10398	1.7
123.11705	6.3
123.97028	0.7
124.07541	1.6
124.11214	6.8
125.09567	1.0
126.09114	1.0
127.03881	4.9
131.08571	4.9
132.08073	0.8
133.10115	6.9
134.09641	8.3
135.07964	1.0
135.10402	2.1
135.11661	4.6
136.11179	8.4
137.09589	2.0
137.12033	1.5
137.13245	2.1
138.09131	2.1
138.12735	2.1
139.11177	0.9
143.08542	0.9
145.04901	3.7
145.10107	2.8
146.09605	1.1
147.10628	1.1
147.11639	6.1
148.11183	5.1
149.09528	1.1
149.12213	0.7
149.13235	23.2
150.12752	24.5
150.13914	1.3
151.11211	1.0
151.13524	3.1
151.14696	1.4
152.10738	5.4
152.14288	1.2
153.09068	1.1
153.11447	1.7
158.10841	1.3
160.11185	1.0
161.12006	1.4
161.13239	2.0
162.12764	1.8
163.14796	2.9
164.14308	2.8
165.12709	1.0
166.12259	2.6
166.15906	3.7
167.14359	1.1
168.13741	1.6
170.11778	1.1
173.13263	4.4
178.15881	5.4
180.17442	6.1
184.16963	3.2
190.15858	24.9
191.14268	4.7
196.16972	2.3
208.16936	48.7
209.15450	1.7
209.17435	1.1
210.18506	1.4
226.17976	47.4
227.18175	0.8
228.19560	1.3
241.08566	1.2
242.84117	0.9
244.19035	100.0
273.04059	1.2
274.04465	1.3
303.04926	2.0
304.96823	0.8
328.21164	0.9
370.22348	0.9
378.07388	0.9
388.18378	1.4
388.23206	14.8
406.24289	54.6
423.09106	2.0
490.15384	1.0
550.28088	1.2
568.29755	4.6
597.88068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.7
57.07058	15.0
67.05501	28.7
69.07055	66.2
79.05481	22.3
81.07047	75.3
83.08611	12.9
91.05461	21.9
93.07011	33.6
95.08588	74.4
97.10153	8.9
105.07024	37.7
107.08601	41.5
109.10149	89.6
110.53587	6.0
111.11710	5.5
117.07016	7.7
119.08569	33.9
121.10146	45.1
123.11697	16.5
131.08582	11.3
133.10118	27.2
135.11674	23.8
135.54141	5.5
137.13239	9.3
143.08536	10.6
143.20122	5.2
145.10095	20.9
147.11673	49.5
148.12097	5.3
149.13205	9.4
153.05453	6.7
157.10112	8.8
159.11673	14.7
161.13214	8.0
165.05473	6.3
173.09657	5.5
175.14844	12.5
177.16348	59.2
187.14828	6.5
189.16338	6.9
199.14694	5.3
201.16447	8.7
203.14331	5.3
203.17947	100.0
205.08611	15.8
211.14845	7.3
212.51129	5.5
223.09610	11.8
243.17673	6.2
345.20743	12.4
379.29926	35.0
381.31537	17.3
481.33026	11.7
521.40045	13.0
549.39471	10.9
567.41132	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	567.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.7
57.07058	15.0
67.05501	28.7
69.07055	66.2
79.05481	22.3
81.07047	75.3
83.08611	12.9
91.05461	21.9
93.07011	33.6
95.08588	74.4
97.10153	8.9
105.07024	37.7
107.08601	41.5
109.10149	89.6
110.53587	6.0
111.11710	5.5
117.07016	7.7
119.08569	33.9
121.10146	45.1
123.11697	16.5
131.08582	11.3
133.10118	27.2
135.11674	23.8
135.54141	5.5
137.13239	9.3
143.08536	10.6
143.20122	5.2
145.10095	20.9
147.11673	49.5
148.12097	5.3
149.13205	9.4
153.05453	6.7
157.10112	8.8
159.11673	14.7
161.13214	8.0
165.05473	6.3
173.09657	5.5
175.14844	12.5
177.16348	59.2
187.14828	6.5
189.16338	6.9
199.14694	5.3
201.16447	8.7
203.14331	5.3
203.17947	100.0
205.08611	15.8
211.14845	7.3
212.51129	5.5
223.09610	11.8
243.17673	6.2
345.20743	12.4
379.29926	35.0
381.31537	17.3
481.33026	11.7
521.40045	13.0
549.39471	10.9
567.41132	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	567.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
57.06795	3.0
57.07069	44.9
67.05485	4.5
67.13007	1.4
69.07060	25.6
70.91610	5.5
71.04991	1.4
71.63525	1.5
79.05494	3.1
79.69296	1.5
81.07042	10.0
83.01336	5.0
83.08614	2.0
85.06525	6.7
91.05478	4.3
93.07034	11.5
94.42036	1.4
95.08606	8.7
97.06538	1.8
99.95986	1.3
105.07025	4.3
107.08579	13.7
109.06516	3.1
109.10158	9.7
115.49622	1.5
117.06956	2.0
119.08568	1.6
121.06508	2.0
121.10152	4.5
123.11698	22.4
127.03888	2.2
133.10114	4.1
135.08029	6.5
135.11670	25.1
137.05991	5.5
139.03928	3.7
141.05400	1.6
145.10123	2.8
147.11626	2.2
149.09624	2.8
149.13225	5.0
153.05446	77.3
153.12744	5.3
159.08040	1.5
162.06723	1.9
163.07553	5.8
163.11130	2.8
165.05464	100.0
167.07059	3.1
169.04956	7.1
173.09622	3.6
175.07701	1.6
175.49715	1.5
176.08232	2.2
177.05545	4.0
177.09076	15.8
179.07039	5.5
181.04933	14.7
181.08594	1.8
187.07446	1.5
187.42868	1.5
191.06969	7.0
191.10645	9.0
201.09093	6.4
203.06918	2.5
204.07721	2.3
205.08597	12.7
205.19478	2.4
207.10077	1.5
217.12479	1.5
219.10153	78.2
221.11700	24.9
223.09630	13.5
225.11252	2.1
231.10204	1.4
235.09679	6.0
237.11200	98.6
238.11377	1.7
243.10020	1.6
253.10707	8.1
257.11572	2.6
257.22528	3.1
275.13217	2.4
275.16385	26.4
275.23761	7.5
285.14752	1.7
287.16400	58.5
293.17435	2.8
301.18085	1.6
305.17438	74.0
341.21161	3.7
343.18701	2.5
343.22565	15.4
345.20538	6.8
357.24570	3.2
359.22141	22.4
361.23773	5.1
363.21704	2.5
364.74420	1.5
375.21536	2.6
377.23187	67.5
389.23169	20.1
427.28564	7.7
445.29575	13.6
511.15155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90997	1.3
55.05500	7.4
57.07049	4.6
65.03912	1.9
67.05498	21.2
69.03410	2.1
69.06689	2.2
69.07054	27.8
71.04994	2.8
79.05482	16.3
81.07042	60.9
83.01321	1.6
83.08603	6.2
85.06504	1.8
91.05462	20.3
93.07029	24.8
94.64784	1.1
95.04919	4.0
95.08590	44.9
97.06523	1.5
97.10152	2.1
105.06342	2.5
105.07018	38.8
107.04952	1.2
107.08578	29.3
109.06533	3.4
109.10139	37.7
113.05986	5.4
113.16571	1.2
114.12476	1.1
117.07002	5.1
119.08564	28.7
121.06505	2.7
121.10130	27.1
123.04342	2.0
123.08070	2.1
123.11690	58.3
127.07536	1.3
129.06961	2.4
131.08549	7.3
133.10104	21.0
135.04370	1.9
135.08051	1.7
135.11667	11.6
137.13239	9.0
139.03850	1.4
143.08539	4.7
145.06422	1.3
145.10101	15.4
147.07970	1.9
147.11668	54.8
149.05923	2.9
149.09523	1.7
149.13226	7.2
151.03876	1.2
151.14764	1.3
153.05476	4.3
155.08560	1.6
157.10100	4.9
159.08051	2.9
159.11670	7.7
161.05972	1.9
161.13200	9.6
162.06766	1.7
163.07526	2.8
163.11205	2.3
163.14777	4.5
165.05435	4.7
165.09103	1.3
165.12718	2.0
167.06956	2.9
169.04926	2.1
169.10083	1.5
171.08031	3.2
171.11682	2.5
173.09604	2.8
173.13232	3.8
175.07544	2.0
175.14780	5.5
177.09068	3.3
177.16348	20.6
179.06976	2.1
181.08578	1.5
185.09587	2.3
185.13168	2.9
187.07568	2.2
187.11153	1.5
187.14735	2.1
189.05453	1.8
189.16298	7.0
191.07034	1.4
191.17818	3.0
195.06453	2.3
197.13174	1.7
199.11145	2.9
199.14774	4.2
201.16362	21.2
203.07004	3.5
203.17934	100.0
205.08568	15.1
205.19554	2.0
207.06468	2.1
209.08055	1.7
209.13167	1.4
211.11229	1.3
213.07503	13.4
213.09172	1.7
213.16451	1.9
215.10666	1.6
219.17409	2.3
221.08044	6.3
223.09578	20.6
227.09058	2.6
227.14348	2.6
231.17421	2.1
235.09601	2.5
239.09024	7.0
239.17929	1.6
243.09966	1.4
255.13751	1.6
257.18875	1.7
259.94821	1.4
267.17508	1.4
273.14853	1.6
275.12656	2.1
287.16287	1.5
299.19843	1.5
310.49747	1.3
325.17847	4.4
327.19427	1.4
337.28653	1.5
339.19144	1.4
343.19025	18.0
344.19412	1.2
345.20651	8.6
351.30777	1.7
353.21051	2.7
355.22717	1.6
357.20544	1.6
361.20065	16.6
363.21579	4.6
379.30002	11.7
383.25903	1.6
393.24384	1.5
405.23355	1.3
411.25156	6.0
423.25076	2.3
425.26767	4.5
429.26416	8.6
435.32562	1.6
441.26007	2.9
465.29718	1.6
477.33344	4.0
497.32498	1.4
509.32486	2.3
529.36597	6.7
547.37750	31.5
565.38715	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	565.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.93341	0.9
55.05506	4.7
57.07056	2.6
58.62815	1.0
60.77943	1.0
62.20213	1.0
63.82296	1.0
67.05495	11.0
67.64365	1.0
69.07056	9.4
71.04987	1.7
79.05483	10.8
81.07048	21.3
83.01335	3.0
83.08590	1.8
90.01752	1.2
91.05465	18.2
93.07027	19.3
95.04942	2.2
95.08588	21.0
97.06519	1.4
97.10155	1.5
105.07013	39.5
107.08581	22.9
109.06498	1.8
109.10134	22.1
116.05292	1.1
117.06998	2.0
119.08559	40.8
121.06499	2.9
121.10121	13.3
123.10854	1.8
123.11691	15.6
131.08524	5.5
133.10117	21.3
135.08029	4.2
135.11662	15.7
137.06027	1.2
143.08545	1.3
145.10126	7.2
145.16008	0.9
147.11667	67.9
149.09612	3.7
149.13245	1.1
150.72923	0.9
153.05440	5.0
153.80602	0.9
157.10152	1.4
159.08061	4.5
159.11632	5.5
161.05969	1.1
161.13248	10.5
162.06705	4.0
163.07495	6.7
165.05438	26.3
165.06787	1.4
167.07028	7.3
171.11671	1.0
175.14807	3.5
177.09091	11.4
187.07545	3.9
193.08568	1.5
201.16399	8.2
203.06996	2.7
203.17929	58.8
205.08572	60.4
207.17419	1.1
211.09621	1.6
219.09981	1.3
221.07942	2.2
223.09618	100.0
231.10159	1.0
235.09625	2.1
237.11246	1.0
243.10168	1.6
261.11240	1.6
271.13434	1.5
273.22101	2.2
275.16449	2.1
287.16415	8.6
288.38422	1.1
303.16342	1.2
305.17465	1.3
325.17996	1.2
327.19385	2.8
339.20016	1.3
343.18869	4.7
345.20535	46.7
353.21198	2.3
355.22687	16.8
357.20624	5.9
363.21683	4.5
375.21780	1.4
381.46915	1.0
425.26825	23.7
477.33997	1.6
479.31256	1.4
547.37866	12.9
565.27502	1.6
565.38477	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	565.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38708	1.7
53.03931	1.4
55.05512	8.6
57.07061	3.4
65.03969	1.6
67.05494	13.2
68.89572	1.5
69.07063	24.3
71.04938	3.0
71.81409	2.5
74.28029	1.4
79.05480	15.0
80.48143	1.6
81.07044	27.4
83.08606	4.0
91.05475	21.1
93.07036	32.3
95.04958	4.2
95.08595	34.0
97.10178	2.7
101.15842	1.6
105.07019	36.3
107.08582	49.4
108.29349	1.7
109.06501	3.8
109.10133	22.4
117.07023	2.9
119.08565	35.1
121.06499	3.3
121.10123	20.5
123.08089	3.3
123.11690	19.3
129.06966	2.4
131.08521	8.9
133.10112	24.2
135.04474	2.0
135.08029	2.9
135.11678	100.0
137.02319	2.2
137.06009	2.1
137.13248	7.1
143.08604	3.2
145.10114	10.3
147.11673	37.7
149.05923	1.8
149.13263	2.0
151.11292	1.5
153.05447	3.4
155.03381	3.7
157.10167	4.1
159.08058	3.4
159.11671	7.2
161.09579	2.3
161.13234	8.6
162.94136	1.6
163.07553	3.1
165.05437	12.9
167.07051	6.1
169.10138	1.8
171.11671	3.3
173.09618	2.7
173.13289	2.5
175.14803	3.8
177.09111	7.3
177.16437	3.5
181.09833	2.0
183.11749	2.3
185.13237	2.5
187.07466	2.1
187.14674	2.3
189.09148	2.9
189.12733	3.2
189.16400	4.1
191.06992	2.2
191.17879	9.5
195.11659	1.9
199.14731	3.4
201.08981	1.9
201.16365	13.7
203.07043	3.8
203.17932	64.6
205.08583	20.7
209.13202	2.6
213.12921	2.7
213.16481	1.8
215.18004	2.1
221.08150	2.3
223.09634	35.7
255.17577	2.4
271.17041	2.2
277.14227	3.0
287.16260	4.0
297.21692	2.0
299.19901	2.5
343.19189	4.1
345.20532	25.1
355.22772	5.3
357.20493	3.3
363.21548	3.2
367.26312	3.1
373.23621	2.5
379.29874	6.0
425.26868	4.9
434.31586	2.6
435.32617	6.5
453.33878	1.9
477.33673	2.4
477.40836	2.1
479.31476	11.0
495.35001	2.4
497.32346	3.4
501.35843	2.0
503.38791	3.7
521.39935	4.2
547.37555	6.7
565.39197	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.05502	6.8
57.07067	5.5
66.48647	1.0
66.83065	0.9
67.05492	18.7
69.03397	2.6
69.07055	18.2
71.04977	2.6
71.08598	1.6
79.05037	1.3
79.05479	15.9
80.57626	1.1
81.03373	1.3
81.07042	53.7
83.01318	2.1
83.04945	1.4
83.08594	3.7
84.29131	1.2
85.06532	2.6
91.04937	1.8
91.05458	22.2
93.07021	22.5
95.04951	2.9
95.08588	35.5
97.06508	1.9
97.10159	1.6
103.05449	1.5
105.07012	45.8
107.04958	1.2
107.08577	23.5
109.06483	3.0
109.10140	27.5
115.05397	1.4
117.06999	4.3
119.08556	42.4
120.94769	0.9
121.06497	4.1
121.10125	26.1
123.04411	1.1
123.08036	2.6
123.11687	70.9
128.06136	1.1
131.08583	7.3
133.06465	1.6
133.10106	28.4
134.56682	1.3
135.08006	4.4
135.11659	12.1
137.05927	2.2
137.13216	4.8
141.05464	1.4
143.08540	3.4
145.10085	13.6
147.08003	2.3
147.11665	78.6
148.34181	1.0
149.05994	1.4
149.09554	2.3
149.13242	4.8
151.07507	1.6
153.05452	3.5
157.10098	2.1
159.08064	3.2
159.11662	8.8
161.05893	1.2
161.13210	11.6
162.06737	1.7
163.07509	5.8
165.05443	20.2
165.12762	2.6
166.05797	1.0
167.07040	8.2
167.14250	2.1
169.04956	1.4
173.09560	1.6
175.11064	1.2
175.14777	3.4
177.05501	1.4
177.09081	6.3
177.16397	1.5
187.07501	1.8
187.14792	1.9
189.05370	1.3
189.16365	1.7
191.07021	2.5
193.08551	2.2
195.06461	1.9
199.14758	2.2
201.16338	20.6
203.07065	5.0
203.17918	100.0
204.18286	1.2
205.08572	38.8
207.06453	1.3
209.07986	2.2
211.09581	1.5
213.12674	1.7
219.10172	2.1
221.08046	4.7
223.09602	54.5
227.09012	3.0
229.12289	1.2
231.10181	1.2
231.17413	2.8
235.09589	1.5
237.11194	2.9
238.11549	1.4
239.08986	1.9
243.10121	1.6
245.11540	1.2
259.13025	1.6
261.11185	1.2
263.12891	1.3
271.13281	1.4
273.11157	1.7
273.14893	2.0
279.12161	1.4
287.13260	1.8
287.16180	7.6
293.13666	1.4
299.19916	1.5
312.94412	1.1
313.18210	1.3
317.21106	1.5
325.17859	4.7
327.19473	1.9
343.18988	22.3
345.20560	30.6
347.22150	1.4
355.22632	13.5
357.20499	2.7
361.20038	16.7
363.21628	6.4
383.25690	1.3
411.25012	2.3
425.26752	15.8
443.27930	3.4
459.32095	1.3
477.33453	5.2
529.36609	4.0
547.37744	23.8
565.38922	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	565.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66784	2.1
55.01865	2.1
55.05482	5.3
57.07079	4.1
59.72942	1.9
62.44252	1.9
65.81606	1.8
67.05490	11.5
69.07076	10.1
69.07374	2.0
69.49326	6.8
69.49743	18.3
71.04987	2.3
79.05481	11.9
81.07043	28.7
83.01353	3.2
83.08591	3.4
83.75481	2.2
86.39004	1.8
91.05464	22.6
93.07027	23.4
95.04940	2.8
95.08593	23.3
97.10146	2.3
98.20735	4.4
105.07016	46.8
107.08578	24.9
109.06519	2.6
109.10151	20.2
113.05972	2.8
117.07056	2.4
119.08572	40.6
121.06474	2.6
121.10129	12.3
123.11681	18.3
131.08527	6.0
133.10123	21.9
135.08017	4.6
135.11652	18.9
145.10066	6.0
147.11665	84.3
149.09584	3.3
153.05446	3.9
157.10173	3.3
159.08055	4.3
159.11690	4.0
161.13223	10.6
162.06723	3.6
163.07553	6.2
165.05464	25.5
167.07088	11.4
173.09512	2.2
173.13338	3.0
175.14777	3.5
177.09100	10.8
187.07532	4.4
187.14667	2.1
201.16447	5.7
203.06982	4.7
203.10698	2.1
203.17931	65.3
205.08577	58.7
211.09735	4.5
223.09621	100.0
226.59488	2.1
285.78046	2.3
287.16324	9.6
343.18961	5.4
345.20566	50.0
355.22711	25.9
357.20639	4.7
363.21359	3.0
425.26920	24.9
468.13446	2.4
477.33597	2.8
547.38135	19.2
565.38745	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	565.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.05491	0.2
57.71547	0.1
58.41442	0.1
61.02884	0.2
62.17814	0.1
63.41228	0.1
67.05466	0.4
69.03387	0.6
69.07016	0.2
69.64256	1.3
71.04963	0.2
73.02906	0.2
74.13749	0.2
74.53992	0.1
79.05491	0.2
81.03422	1.0
81.07037	0.2
83.04979	0.1
85.02898	2.8
91.05471	0.3
93.07066	0.1
95.08572	0.2
96.08829	0.1
97.02882	1.9
97.06511	0.3
99.04446	1.8
102.68699	0.1
103.03328	0.1
103.03923	2.3
105.06969	0.2
107.04942	0.2
109.02864	1.2
113.49440	0.1
119.04866	0.1
121.10115	0.1
123.04400	0.3
125.09650	0.2
127.03904	5.4
127.04850	0.3
137.02338	0.2
137.05971	0.3
145.04951	2.5
147.04398	0.2
161.05948	0.2
163.03934	0.2
163.05969	0.5
167.06998	0.3
171.04375	0.7
181.04955	0.2
187.04034	0.2
187.05997	0.5
188.04640	1.0
199.03870	1.7
208.38315	0.1
213.05389	0.3
216.04152	4.9
227.03348	1.2
228.04117	0.6
235.67250	0.1
244.03650	21.0
245.04230	0.3
257.04358	0.3
258.05298	0.2
259.05994	100.0
260.06354	0.9
271.08163	0.4
277.11215	0.2
301.07013	0.7
311.09409	0.1
367.08078	0.3
505.14923	0.3
565.18805	0.2
565.29523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01862	0.3
57.03417	0.3
67.05488	0.4
69.03403	0.6
69.07056	0.3
71.79622	0.3
73.89401	0.3
76.53485	0.3
79.05480	0.5
81.03397	1.1
81.07042	0.6
85.02895	2.8
91.05437	0.3
93.07013	0.3
97.02870	2.3
99.04467	1.9
103.03916	2.2
105.06985	0.4
107.04926	0.5
107.08558	0.3
108.26100	0.3
109.02852	1.2
111.04427	0.3
111.42136	0.3
115.03889	0.3
115.05453	0.3
121.02868	0.9
123.04407	0.9
124.16444	0.3
127.03890	3.6
131.04903	0.4
135.04413	0.5
137.02257	0.4
137.05936	1.9
139.03889	0.9
141.06903	0.3
145.04936	1.5
147.04344	0.4
149.05910	0.3
151.03891	0.4
152.13574	0.3
157.06413	0.3
160.05182	1.0
161.05971	0.4
163.03928	1.9
163.05933	0.4
166.38141	0.3
167.07018	1.0
171.04349	1.2
173.06117	0.3
175.07558	0.6
177.05452	0.3
181.04945	0.6
185.05957	0.9
187.03860	0.4
188.04704	0.4
189.09087	0.5
191.03281	0.3
199.03894	1.1
203.06956	0.5
213.05437	2.1
215.03484	0.4
215.10486	0.4
216.04237	1.6
217.04881	0.4
227.03421	1.2
228.04063	0.3
231.06384	0.6
241.04871	0.4
243.02858	0.3
244.03650	13.6
245.04242	0.6
255.06599	0.3
257.04474	0.5
257.08142	0.3
259.05988	100.0
260.06357	1.4
267.06522	0.4
271.05963	0.7
281.08081	0.3
287.05771	0.3
287.09088	0.7
299.09079	2.1
301.06955	0.6
311.08890	0.3
317.10120	1.0
339.04901	0.3
339.12161	0.4
367.08023	0.7
396.04758	0.7
411.07224	0.6
413.12338	0.4
505.15646	0.4
565.13202	3.4
565.21051	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01861	8.3
55.05503	29.7
57.03433	16.7
57.07061	5.7
59.04985	3.9
61.02916	21.2
65.03925	5.4
67.05501	83.3
69.03417	14.9
69.07060	38.0
71.04984	13.5
72.08147	3.6
73.02893	5.0
75.82471	2.6
79.05484	80.3
81.03411	20.8
81.07047	90.9
83.04975	24.6
83.08620	19.6
85.02906	20.5
85.06516	5.5
90.52471	3.1
91.03934	5.8
91.05470	77.2
93.07039	100.0
95.04956	20.7
95.08595	55.2
97.02879	18.1
97.06519	18.5
97.10147	6.7
99.08086	10.3
103.03899	4.2
103.05438	3.9
105.07018	72.3
107.04919	8.1
107.08588	51.5
109.02876	3.7
109.06505	11.9
109.10142	31.6
111.04411	5.7
111.08073	12.8
117.07001	29.5
119.08562	51.3
121.06548	3.7
121.10136	43.6
123.08068	5.7
123.11678	7.4
125.09618	6.3
127.03913	9.0
129.05510	4.4
129.07010	10.8
131.08557	32.7
133.06534	4.3
133.10117	63.1
135.08020	7.5
135.11678	32.0
137.09601	8.2
139.11148	4.0
142.07774	3.1
143.08536	12.5
145.04970	3.0
145.10112	23.2
147.11691	39.1
149.09613	14.6
149.13252	30.2
151.11211	5.3
153.05463	3.2
155.08533	3.4
157.10095	9.2
159.11690	32.6
161.09622	4.5
161.13300	21.0
163.11151	11.4
163.14854	4.0
165.05440	3.7
171.11633	18.7
173.11816	6.7
173.13235	12.8
175.11157	5.6
175.14833	10.0
177.12714	10.1
179.14230	3.9
183.11726	3.1
184.07295	3.8
185.13213	5.9
193.12122	3.5
195.13805	9.1
197.13148	3.2
199.14769	4.2
217.15746	3.8
221.11700	4.6
227.12624	3.1
229.14311	23.2
229.19603	4.3
231.17326	4.1
237.11142	4.7
239.17859	3.6
241.19440	16.6
257.18951	5.6
259.20560	59.8
267.15796	4.7
269.17444	75.4
275.20081	25.3
311.60410	3.2
333.24332	3.5
349.23553	11.8
351.25278	83.9
371.44724	3.0
381.30908	3.7
421.25513	4.5
447.27127	12.8
479.20258	3.3
550.84949	3.3
564.36566	4.6
565.29303	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	564.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01857	6.8
55.05502	17.1
57.03433	18.9
57.07078	3.8
58.04846	1.8
59.04998	2.0
61.02915	5.5
65.03910	2.1
67.05496	57.7
69.03428	9.4
69.07060	23.9
71.04980	6.5
71.08640	1.7
73.02922	3.1
79.05484	46.0
81.03424	11.2
81.07045	73.0
83.04958	10.1
83.08613	12.8
85.02905	10.9
85.06548	4.5
91.03960	2.2
91.05467	35.1
93.07028	52.2
95.04958	13.2
95.08591	29.2
97.02868	6.3
97.06533	21.4
97.07102	2.7
97.10162	6.6
99.08087	6.5
99.99327	1.8
103.03910	2.6
105.07021	29.7
107.04948	7.5
107.08577	32.6
109.02824	3.2
109.06512	7.7
109.10136	14.9
111.04433	2.6
111.08068	7.9
112.50975	1.6
117.06998	15.3
119.08568	21.9
121.06480	3.9
121.10132	17.5
123.08054	4.2
123.11732	5.2
125.09620	7.3
127.03893	5.0
128.72981	1.7
129.06999	5.1
131.04883	1.8
131.08556	17.8
133.06500	2.0
133.10118	20.4
135.08038	5.8
135.11685	24.6
137.09657	4.0
143.08549	4.1
145.06438	2.9
145.10104	15.0
147.11708	10.2
149.09586	12.2
149.13255	21.9
151.11243	2.6
155.08511	3.1
157.10136	4.1
159.11668	25.8
161.13239	5.1
162.80200	1.8
163.11176	10.8
165.12714	2.0
169.10074	2.0
171.10141	1.9
171.11754	3.4
173.04443	2.8
173.11856	2.0
173.13177	9.6
175.11201	2.0
177.12720	22.8
179.14305	12.5
181.12231	3.3
183.11780	2.9
189.11154	2.9
195.13797	7.8
196.52644	1.7
223.86824	2.2
227.12793	5.5
229.19408	2.6
239.17902	4.9
247.20511	2.2
250.47606	1.8
251.16331	4.1
255.15887	56.8
257.18912	10.4
259.21011	1.9
267.15787	3.7
269.17432	100.0
270.17874	2.3
275.20044	33.6
293.21085	3.9
309.20648	2.6
349.23700	72.3
350.23990	2.8
367.24759	20.4
389.18146	2.9
413.21542	3.3
496.69742	2.2
511.28476	2.7
538.07556	2.8
565.29443	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74714	1.4
52.42551	1.5
53.03934	4.3
55.01860	6.7
55.05274	1.7
55.05508	20.5
56.80337	1.4
57.03433	19.8
57.07077	2.4
61.02909	5.0
65.03934	2.6
67.05499	56.4
67.94402	1.5
69.03427	8.3
69.07062	26.9
69.62238	2.4
69.62650	12.0
71.04983	5.5
73.02908	2.8
79.05486	43.1
81.03400	11.9
81.07048	66.5
83.04976	12.4
83.08614	10.9
85.02887	10.2
85.06535	4.4
88.20145	1.3
91.03949	2.8
91.05471	39.9
93.07035	55.6
95.04971	12.4
95.08601	27.2
97.02869	6.5
97.06519	19.0
97.10153	6.8
99.04413	2.3
99.08089	4.8
105.07023	25.8
107.04977	8.2
107.08587	32.8
109.02876	2.9
109.06512	7.8
109.10123	12.1
111.08064	6.6
115.03905	1.9
117.07009	14.6
119.08572	22.6
121.06504	4.6
121.10118	16.2
123.08069	3.8
123.11707	6.4
125.09605	5.2
127.03908	4.1
129.05472	2.9
129.06999	5.0
131.08548	17.9
133.10109	23.5
135.08070	4.4
135.11673	16.4
137.09593	2.6
139.11162	1.8
143.08575	3.2
145.10132	14.3
147.08092	2.6
147.11674	12.8
149.09598	13.1
149.13234	16.7
151.11200	3.7
157.10136	4.3
159.11670	29.9
161.13301	7.4
163.11163	10.3
165.12804	2.7
169.10060	2.8
171.11606	3.0
173.04466	2.4
173.09595	2.1
173.13242	7.6
175.11163	2.7
177.12729	23.9
179.14294	8.9
181.12280	3.6
183.11670	1.7
187.14810	2.1
189.11266	1.9
195.13744	7.8
215.14310	2.9
227.12689	2.5
229.14363	4.8
229.19469	1.6
239.17998	4.4
247.20654	3.9
251.16389	3.7
255.15900	49.2
257.18939	9.0
267.15945	3.6
269.17453	100.0
270.17688	2.1
275.19977	27.6
293.21109	2.1
349.23718	70.1
350.23911	2.2
367.24771	22.4
389.18124	1.7
413.21655	3.7
417.21060	1.8
425.97098	1.9
431.22919	2.3
476.31113	1.6
511.28854	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	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21052	2.5
51.60815	1.8
53.03923	3.1
55.01858	7.6
55.05502	42.8
57.03431	14.0
57.07068	3.6
63.65644	1.8
65.03918	5.7
67.05494	91.9
69.03409	5.1
69.07057	25.3
69.87914	14.3
71.04978	8.2
71.08624	2.4
74.09721	2.7
77.57624	1.7
79.05480	54.2
81.03407	35.3
81.07042	94.8
83.04971	17.3
83.08607	28.8
85.02894	11.2
85.06535	3.6
90.40955	2.3
91.05465	52.0
93.06436	3.8
93.07027	65.8
95.04956	18.6
95.08591	66.7
97.06519	11.5
97.10157	18.1
98.21408	3.9
99.08097	4.4
105.07009	50.0
105.89753	1.9
107.04931	5.4
107.08578	39.5
109.06512	9.2
109.10132	35.9
110.03120	2.0
111.04435	4.6
111.08086	10.6
112.94322	1.9
115.05525	3.0
116.23824	1.7
117.07001	19.4
119.08559	39.6
121.06492	4.4
121.10139	27.7
123.08040	5.6
123.11697	12.7
125.09615	12.9
128.06189	2.3
129.06982	13.5
131.08543	29.4
133.06535	2.8
133.10104	29.7
135.08087	4.5
135.11696	22.8
137.09581	4.8
137.13298	3.9
142.07722	2.8
143.08554	9.8
145.10110	25.3
147.08076	3.4
147.11678	23.1
149.09610	8.4
149.13246	12.9
153.09119	3.0
153.12700	3.3
155.08514	4.0
157.10126	16.2
159.11690	17.6
161.13229	10.5
163.11165	7.1
163.14833	4.4
165.12689	2.8
169.10121	5.3
171.11681	9.1
173.13177	15.7
175.11197	10.8
175.14793	4.7
177.12721	2.6
181.10117	3.9
181.12286	5.1
183.11696	3.7
185.13187	4.7
187.14810	5.3
189.11215	5.6
191.10721	2.9
193.12206	29.9
195.11647	2.8
195.13815	2.9
197.13194	3.5
199.14804	3.3
201.16382	2.8
209.13318	2.4
211.13231	42.1
217.16145	2.3
225.16272	2.1
227.12746	12.3
229.14311	5.8
243.15823	2.3
253.14099	2.1
261.22028	12.7
267.15833	6.3
269.17212	2.3
277.21640	4.5
279.23157	4.0
283.15262	2.5
285.16898	24.1
285.22098	7.0
301.21695	3.2
301.25079	3.6
303.23120	6.8
317.24713	6.5
335.25824	27.8
351.25275	2.3
377.27258	2.6
435.32639	10.7
453.33356	11.6
471.34726	10.7
473.32285	3.6
475.92551	2.0
487.34003	6.2
489.35648	2.3
509.36298	3.0
527.37158	40.9
545.38269	100.0
546.38568	2.9
563.26556	4.3
563.39362	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
53.29601	2.3
55.01851	8.2
55.05504	39.3
57.02136	2.1
57.03442	11.2
57.07042	6.3
59.25549	1.9
62.83744	2.6
65.03918	3.9
67.05493	92.4
68.19077	2.1
69.03406	5.9
69.07064	26.4
69.10201	2.5
71.04973	6.8
72.08128	4.3
79.05482	56.0
81.03400	25.1
81.07043	91.5
83.04969	12.5
83.08615	26.9
85.02879	8.8
85.06516	4.4
86.09662	2.7
91.05471	52.4
93.07034	56.1
93.69392	2.1
95.04968	16.4
95.08591	59.8
97.06511	13.1
97.10156	19.9
98.21501	3.7
99.08068	6.8
105.07026	46.9
107.04936	3.7
107.08579	39.1
109.06503	8.1
109.10134	31.2
111.04409	4.7
111.08050	8.2
117.07000	16.3
119.08575	35.7
121.06464	3.4
121.10117	31.2
123.08045	5.7
123.11689	8.5
125.09630	10.9
129.07010	13.2
131.08556	29.1
133.06537	2.7
133.10110	28.9
135.08043	4.6
135.11681	22.4
137.09608	7.5
139.11241	2.5
141.07013	3.4
142.07761	3.8
142.90807	2.6
143.08525	11.0
145.10098	26.9
147.11679	22.0
149.09604	5.4
149.13203	12.1
151.11150	3.6
155.08560	5.7
157.10109	16.8
159.11678	17.4
161.09657	2.9
161.13252	10.2
163.11176	7.0
163.14786	4.7
165.12761	4.2
167.10768	2.7
169.10132	7.2
171.11638	7.3
173.11830	3.6
173.13214	16.1
175.11128	8.6
175.14732	6.6
181.12195	4.0
183.11635	7.5
185.13216	8.0
187.11220	2.6
187.14787	6.7
188.66119	2.3
189.11166	8.9
189.16362	3.7
193.12199	19.7
195.11783	3.2
195.13678	2.9
197.13196	4.2
199.14839	4.3
203.12807	2.6
211.13217	24.0
211.14821	3.0
216.86874	2.6
217.15872	2.8
225.16455	2.5
227.12631	12.2
229.14279	6.6
243.20990	4.0
259.20529	3.1
261.22116	10.2
263.43704	2.2
267.15836	6.6
269.17413	2.9
277.21585	3.8
279.23102	2.7
285.16977	18.6
285.22137	3.2
287.23654	2.8
299.23547	2.9
301.25171	5.4
303.23132	7.9
317.24655	5.0
335.25800	19.2
359.25665	4.4
363.54431	2.5
417.31241	3.1
435.32510	11.7
453.33496	12.1
471.34409	10.9
473.32535	4.9
487.33881	6.4
489.35492	5.7
509.36649	5.1
527.29846	3.2
527.37292	41.4
545.38287	100.0
563.22388	4.7
563.39301	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21052	2.5
51.60815	1.8
53.03923	3.1
55.01858	7.6
55.05502	42.8
57.03431	14.0
57.07068	3.6
63.65644	1.8
65.03918	5.7
67.05494	91.9
69.03409	5.1
69.07057	25.3
69.87914	14.3
71.04978	8.2
71.08624	2.4
74.09721	2.7
77.57624	1.7
79.05480	54.2
81.03407	35.3
81.07042	94.8
83.04971	17.3
83.08607	28.8
85.02894	11.2
85.06535	3.6
90.40955	2.3
91.05465	52.0
93.06436	3.8
93.07027	65.8
95.04956	18.6
95.08591	66.7
97.06519	11.5
97.10157	18.1
98.21408	3.9
99.08097	4.4
105.07009	50.0
105.89753	1.9
107.04931	5.4
107.08578	39.5
109.06512	9.2
109.10132	35.9
110.03120	2.0
111.04435	4.6
111.08086	10.6
112.94322	1.9
115.05525	3.0
116.23824	1.7
117.07001	19.4
119.08559	39.6
121.06492	4.4
121.10139	27.7
123.08040	5.6
123.11697	12.7
125.09615	12.9
128.06189	2.3
129.06982	13.5
131.08543	29.4
133.06535	2.8
133.10104	29.7
135.08087	4.5
135.11696	22.8
137.09581	4.8
137.13298	3.9
142.07722	2.8
143.08554	9.8
145.10110	25.3
147.08076	3.4
147.11678	23.1
149.09610	8.4
149.13246	12.9
153.09119	3.0
153.12700	3.3
155.08514	4.0
157.10126	16.2
159.11690	17.6
161.13229	10.5
163.11165	7.1
163.14833	4.4
165.12689	2.8
169.10121	5.3
171.11681	9.1
173.13177	15.7
175.11197	10.8
175.14793	4.7
177.12721	2.6
181.10117	3.9
181.12286	5.1
183.11696	3.7
185.13187	4.7
187.14810	5.3
189.11215	5.6
191.10721	2.9
193.12206	29.9
195.11647	2.8
195.13815	2.9
197.13194	3.5
199.14804	3.3
201.16382	2.8
209.13318	2.4
211.13231	42.1
217.16145	2.3
225.16272	2.1
227.12746	12.3
229.14311	5.8
243.15823	2.3
253.14099	2.1
261.22028	12.7
267.15833	6.3
269.17212	2.3
277.21640	4.5
279.23157	4.0
283.15262	2.5
285.16898	24.1
285.22098	7.0
301.21695	3.2
301.25079	3.6
303.23120	6.8
317.24713	6.5
335.25824	27.8
351.25275	2.3
377.27258	2.6
435.32639	10.7
453.33356	11.6
471.34726	10.7
473.32285	3.6
475.92551	2.0
487.34003	6.2
489.35648	2.3
509.36298	3.0
527.37158	40.9
545.38269	100.0
546.38568	2.9
563.26556	4.3
563.39362	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01859	7.8
55.05504	30.8
57.03426	13.7
57.07074	2.4
59.04995	2.0
65.03930	4.3
65.08824	1.1
67.05499	87.4
69.03422	4.9
69.07061	23.6
71.04987	9.2
71.08642	2.1
71.81933	2.6
79.05484	56.4
80.05834	1.4
81.03411	32.7
81.07047	91.1
83.04975	18.2
83.08611	26.9
83.09073	2.2
85.02892	11.1
85.06541	5.1
91.05469	48.1
93.07032	60.8
95.04959	21.9
95.08595	58.3
97.02880	2.9
97.06508	8.9
97.10154	13.5
99.04460	1.7
99.08089	5.9
105.03452	1.6
105.04514	1.7
105.07021	43.4
107.04932	5.3
107.08581	40.1
109.06493	7.7
109.10142	33.9
111.04465	5.5
111.08087	12.0
113.06021	1.5
115.05476	2.3
117.07011	12.6
119.08569	40.9
121.06501	4.2
121.10123	26.6
121.10957	1.7
123.08101	4.2
123.11707	11.8
125.09630	12.1
128.06241	2.0
129.07007	11.4
131.08557	30.4
133.06523	3.1
133.10120	28.2
135.08057	5.2
135.11682	18.4
137.09619	3.1
137.13269	3.1
139.11188	2.2
141.07007	3.0
142.07750	3.0
143.08574	7.4
145.10110	23.8
147.08003	2.9
147.11661	24.4
149.09584	6.5
149.13228	11.5
151.11185	3.6
153.09123	2.0
153.12643	3.1
155.08533	6.1
157.10114	16.2
159.08188	1.5
159.11674	16.0
161.09650	3.6
161.13274	8.2
163.11176	6.6
163.14877	5.1
165.05499	1.9
165.12793	3.2
167.08629	1.6
169.10115	4.5
171.11699	10.1
173.09621	1.6
173.11826	2.3
173.13197	12.7
173.14331	1.2
175.11165	8.5
175.14825	6.2
177.12704	2.8
177.16371	1.3
179.14264	1.8
181.10199	2.9
181.12288	3.9
183.11740	4.0
185.13211	6.0
187.13464	1.3
187.14780	7.1
189.11212	6.3
189.16354	2.1
191.08479	1.1
191.10608	2.0
191.14267	2.0
193.12219	28.1
195.11749	3.3
195.13803	1.8
197.13293	4.1
199.14864	3.3
201.12845	1.2
201.16388	3.0
207.11748	1.2
209.13364	2.1
211.13252	37.9
213.16444	2.9
215.14455	2.6
223.09694	1.7
225.16483	1.8
227.12717	9.0
227.17946	1.6
229.14417	5.6
235.14911	1.4
243.15912	2.8
243.21065	3.3
245.19098	1.5
253.14334	1.6
259.20569	1.6
261.19080	1.9
261.22110	15.6
263.20203	2.0
267.15979	4.5
268.16406	1.6
269.17484	2.9
273.22308	1.7
277.21716	2.7
279.23239	3.7
283.15427	2.7
285.16962	21.9
285.22107	4.0
289.21814	1.6
299.23538	1.9
301.21844	2.6
301.25272	3.2
303.23218	5.9
317.24811	4.8
330.82684	1.3
335.25760	28.7
337.27524	1.3
341.24857	2.5
345.24307	1.4
351.25574	2.2
355.26559	1.7
359.25870	2.7
377.27261	1.5
379.25986	1.5
399.01559	1.4
407.88449	1.4
417.31503	3.5
433.29483	1.7
435.32407	11.1
447.31714	1.8
451.30200	1.5
453.33536	9.9
463.30774	1.7
471.34702	13.2
473.32925	3.6
487.34033	6.1
489.35977	2.7
491.35049	2.2
505.35806	1.5
509.36594	3.4
527.37256	34.6
545.38281	100.0
546.38623	2.3
563.26007	3.3
563.39447	44.0
564.40039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58302	2.1
51.02385	2.2
52.47390	2.0
53.03930	6.8
55.01854	6.2
55.05498	29.6
57.03425	11.4
57.07062	7.4
65.03923	5.3
67.05493	78.8
69.03410	5.6
69.07058	23.8
71.04967	8.7
71.80987	3.7
72.08132	3.1
79.05476	55.8
81.03407	24.1
81.07040	85.9
83.04960	13.1
83.08595	23.8
85.02888	7.4
85.06528	3.9
91.05466	39.2
93.07029	65.5
93.07598	4.0
95.04963	16.7
95.08592	61.9
97.06507	9.9
97.10159	15.6
99.08068	5.4
103.86736	2.4
105.07014	41.6
107.04933	3.6
107.08575	37.7
109.06510	4.4
109.10133	36.7
111.04426	6.3
111.08077	11.2
113.09634	2.9
117.06981	13.9
119.08555	41.0
121.06487	4.8
121.10112	27.0
123.08047	4.4
123.11659	14.0
125.09583	14.8
127.68314	2.2
129.06985	11.6
131.08540	30.6
133.10114	32.4
135.11684	19.8
137.09589	3.5
137.13214	2.9
139.11147	3.3
141.06953	5.1
142.07758	3.2
143.08562	11.1
145.10091	24.2
147.08020	2.6
147.11684	22.5
149.09616	7.6
149.13254	10.5
153.12740	3.8
155.08553	4.7
157.10097	17.8
159.11647	15.7
161.13167	13.7
163.11095	5.2
163.14786	5.6
165.09087	2.2
165.12769	3.9
169.10080	6.3
171.11674	9.9
173.09544	3.1
173.11923	2.8
173.13197	12.0
175.11171	7.9
175.14778	3.5
177.12694	2.6
179.14288	2.4
181.12195	3.9
183.11627	5.2
185.13228	6.9
187.14835	8.7
189.11166	8.0
193.10548	2.1
193.12210	14.8
195.11790	2.7
195.13681	2.7
197.13248	4.3
199.14824	4.8
201.16487	3.5
211.13229	24.8
211.14931	3.5
223.45432	2.0
225.16370	4.1
227.12761	8.5
229.14302	5.1
241.19603	2.1
245.13736	2.3
259.20721	3.2
261.22134	9.0
267.15875	5.1
269.17184	2.6
271.20499	3.6
277.21497	2.7
279.23187	2.7
285.16904	11.8
285.22162	5.1
289.21613	3.1
299.23593	2.6
301.25186	3.5
303.23163	9.2
317.24661	6.0
335.25723	20.6
341.24884	3.4
351.25348	2.4
417.31448	3.3
435.32501	9.8
453.33600	12.8
471.34735	11.7
473.32751	3.7
487.34097	4.4
489.35690	3.5
527.37280	40.0
540.05957	2.3
545.38269	100.0
559.31793	2.2
563.23285	5.4
563.39343	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1542
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02377	1.0
53.03929	1.1
55.01867	1.8
60.08612	0.6
60.94250	0.6
65.03931	1.5
67.05487	1.5
68.99781	6.1
71.36102	1.6
77.03922	0.6
79.05483	1.9
81.03411	1.3
81.07050	1.6
83.08603	1.0
85.02908	1.5
91.03291	0.8
91.05462	5.0
93.03362	0.8
95.04961	4.0
105.03388	1.9
105.07034	1.2
107.04942	100.0
108.53108	0.8
111.00787	2.5
111.04427	2.6
115.05486	0.7
117.07034	1.4
119.04925	54.3
120.05326	0.9
121.02864	5.5
123.04411	35.0
127.03916	4.4
131.04936	0.9
133.06445	6.4
135.04384	2.2
137.02321	1.2
137.05936	1.0
139.03882	39.0
141.06961	1.1
143.04944	0.9
145.06465	10.6
147.04391	55.8
149.02324	8.1
151.03891	12.1
157.06470	4.8
159.04381	0.8
159.08014	1.3
161.05959	8.2
163.03860	7.0
165.05472	7.0
165.06891	1.1
167.03389	19.5
167.04828	1.2
167.14267	0.8
169.06483	1.5
171.04381	11.1
171.08023	1.5
175.03838	4.4
177.05486	2.4
179.03355	13.2
179.07024	1.5
181.05052	1.0
181.06506	2.8
185.05954	4.5
187.04001	0.8
187.07483	3.4
189.05450	11.9
191.03377	14.3
193.04948	4.3
197.05962	1.2
199.07477	3.1
201.05453	5.4
203.03358	9.7
205.04965	1.7
207.06519	3.5
211.07527	1.9
213.05441	5.2
215.03462	1.7
215.07043	2.3
217.04941	2.2
225.05559	1.3
227.03473	0.7
227.07098	6.0
229.04901	5.3
231.06506	27.1
233.04410	7.8
239.07072	1.7
241.05006	1.2
243.06511	11.2
245.04408	7.4
245.08046	4.2
251.05463	2.4
255.06499	17.5
257.04456	14.0
257.08054	3.0
258.04977	1.2
259.06039	0.9
267.06503	8.5
269.04422	3.8
271.05930	1.9
273.07544	35.9
274.07944	0.9
275.05481	20.2
281.08139	0.8
285.07538	20.0
286.08035	0.8
287.05475	32.2
291.08597	22.0
299.05435	6.8
303.08630	2.7
311.05450	0.9
315.05032	1.0
315.08566	0.9
327.05054	2.5
393.09665	26.3
395.11185	4.7
405.09756	1.1
409.09082	7.2
411.06766	3.7
411.11551	5.2
419.11105	1.2
427.10168	4.2
437.12372	1.0
563.21405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01859	3.2
55.05502	12.1
57.03435	17.2
65.03954	1.8
65.43127	1.0
66.59382	0.9
67.05499	20.8
69.03411	3.0
69.07071	6.1
70.06432	5.4
70.80242	0.9
71.04981	4.2
79.05489	23.4
81.03407	86.6
81.06566	0.8
81.07043	21.8
83.04976	8.6
83.08616	18.9
85.02891	11.0
85.06516	1.3
87.91553	1.4
91.05470	25.7
93.07034	11.2
95.04961	28.1
95.08602	6.3
96.34318	1.0
97.02897	2.8
97.06522	3.3
97.10159	5.2
105.07015	17.3
107.04929	6.9
107.08575	6.6
109.06496	5.4
109.10169	3.0
111.04424	2.1
111.08067	9.3
113.06008	2.2
117.07005	2.9
119.04906	1.1
119.08568	18.4
121.06502	3.4
121.10163	6.7
123.08047	2.5
125.09637	4.4
129.06999	11.8
131.08565	11.8
133.06493	3.2
133.10141	8.8
137.09586	2.1
139.88412	1.0
141.06970	1.7
142.07799	2.6
145.06462	3.3
145.10083	2.2
147.08020	5.1
147.11671	11.5
149.08392	0.9
149.09590	7.0
157.10121	14.2
163.11217	1.6
165.12823	3.2
175.11159	11.7
180.24225	1.3
189.11189	1.4
193.12225	34.4
194.07599	1.0
197.13347	1.2
211.13293	19.3
211.15169	1.6
233.15311	1.3
249.14806	1.3
255.13840	1.8
267.15884	100.0
268.16217	1.6
273.14828	3.2
285.16943	22.5
346.78354	1.2
349.21698	3.1
367.22568	9.0
385.23682	10.0
403.24863	3.0
433.25748	10.2
441.26144	4.3
459.27383	52.3
460.27893	2.2
477.28430	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01866	10.0
55.05502	19.1
57.03422	11.1
57.07051	1.8
61.02903	4.1
65.03916	2.4
67.05147	3.0
67.05492	44.0
69.03408	4.4
69.07057	13.1
71.04966	4.5
71.79639	1.9
71.80005	1.8
73.56873	1.5
79.05479	25.5
81.03402	18.5
81.07042	48.1
83.04959	10.9
83.08604	10.0
84.08112	1.8
85.02873	6.9
85.06522	5.8
85.39184	1.8
86.09695	1.7
91.03894	1.6
91.05463	42.8
93.07031	27.1
94.07334	1.5
95.04963	15.4
95.08583	14.5
97.02866	2.1
97.06515	6.1
97.10167	2.5
99.04428	2.6
102.53838	1.4
105.06352	2.6
105.07015	37.4
107.04911	7.3
107.08575	28.8
109.06509	8.3
109.10143	35.9
111.04394	2.6
111.08049	4.3
117.06970	5.9
119.08558	11.8
121.06475	5.3
121.10108	7.4
123.04427	2.4
123.08031	4.3
123.11724	7.0
125.09582	2.8
127.07552	1.9
129.05379	1.5
129.06976	5.2
131.08571	10.6
133.06454	3.9
133.10106	55.3
135.08047	7.2
135.11655	4.7
137.09657	3.1
142.07631	1.5
143.08514	3.4
145.10085	5.7
147.07997	2.6
147.11641	6.0
149.09587	6.7
149.13194	1.7
151.11145	28.0
157.10097	6.6
159.11662	1.8
161.09555	5.0
169.12228	3.4
171.11586	1.4
175.11139	4.3
177.09132	3.5
177.12648	1.6
179.10576	1.8
193.12224	8.4
211.13239	6.4
215.12711	2.6
245.18929	3.0
253.14302	92.2
254.14781	1.8
263.19998	4.2
267.15823	13.9
269.13846	2.9
270.87692	1.6
271.15344	13.1
273.18472	15.6
276.01590	1.6
285.16852	7.2
291.19467	12.8
336.71143	1.6
347.22113	6.7
365.23160	100.0
366.23553	2.6
383.24283	2.5
385.23813	2.1
403.24918	1.7
459.27277	8.6
477.28363	21.8
527.28595	2.5
544.36560	2.4
562.37250	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	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84119	1.4
51.20695	1.4
53.03928	3.0
55.01863	14.1
55.05250	1.7
55.05502	21.5
57.03426	15.6
57.07045	3.5
61.02908	3.7
64.68853	1.4
65.03933	2.4
67.05495	51.1
68.05830	2.5
69.03413	6.7
69.07056	15.6
70.06541	1.7
70.51158	6.4
71.01339	1.9
71.04970	6.0
73.02892	3.4
79.05476	30.0
80.05814	1.9
81.03407	13.1
81.07042	54.4
82.04189	3.4
83.04960	14.6
83.08611	9.0
85.02888	6.0
85.06522	6.3
87.04440	1.8
91.03925	3.2
91.05466	42.3
92.05797	1.8
93.07030	36.5
94.07346	2.9
94.82459	1.3
95.04963	17.1
95.08584	15.9
97.02894	5.3
97.06528	7.1
97.10161	9.3
98.07262	2.9
99.04395	2.5
105.07014	36.6
105.07721	1.9
106.07325	1.6
107.04939	8.7
107.08579	33.0
109.06479	8.0
109.10139	39.3
111.04385	3.3
111.08058	5.1
112.05162	1.7
113.05999	2.1
116.04710	4.1
117.06978	6.5
119.08572	11.7
121.06481	6.8
121.10123	8.4
123.04418	1.7
123.08059	6.2
123.11707	9.2
125.09632	9.9
127.07504	2.8
128.06216	2.5
129.05467	13.6
129.06998	6.2
131.08525	11.2
133.06447	4.7
133.10107	52.4
135.08023	6.1
135.11673	4.8
137.09573	2.7
143.08559	3.4
145.10110	8.6
147.08020	4.2
147.11655	6.1
149.09570	7.9
151.11166	22.5
155.08623	1.8
157.08585	5.9
157.10121	5.2
159.11687	3.1
161.09589	5.7
161.13231	2.3
163.11172	5.2
169.10092	2.4
169.12209	5.2
171.10132	2.7
171.11671	2.6
173.09596	1.6
175.11179	3.8
177.09135	2.0
179.10567	1.9
187.11154	2.7
189.11200	5.9
193.12244	6.1
195.13895	1.7
199.13219	3.0
200.14027	1.7
209.11597	1.8
211.13260	1.9
215.12833	2.4
223.57106	1.5
227.12784	8.1
227.17818	1.5
229.14267	1.5
245.18970	3.1
252.61937	1.5
253.14331	100.0
263.19965	7.4
267.15787	6.3
268.15958	2.2
269.13751	2.2
269.17511	2.4
271.15356	15.5
273.18472	15.8
275.20001	3.2
276.20297	2.9
283.15259	2.0
285.17053	3.2
291.19495	20.1
301.16440	29.7
321.24118	1.9
347.22015	7.7
347.25699	2.4
350.24167	1.6
365.23163	72.2
375.07077	1.5
421.29382	4.0
459.27048	1.8
472.20639	1.5
493.27771	1.8
526.35724	2.6
527.28522	14.7
544.37366	7.7
562.37915	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	561.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.4
57.07061	10.9
67.05505	14.1
69.07058	26.0
69.51851	27.7
70.72009	2.3
79.05481	9.7
81.07045	27.7
83.01328	4.0
83.08614	4.1
89.88734	2.4
91.05459	15.8
93.07034	31.4
95.04908	2.7
95.08607	28.1
97.10172	8.2
105.07024	18.6
107.08588	53.8
109.06519	2.9
109.10142	17.0
117.07036	3.3
119.08582	16.3
121.10160	13.9
123.08029	2.8
123.11700	12.2
131.08569	8.6
133.10135	20.0
135.10649	3.9
135.11682	77.4
137.13245	13.7
143.08549	6.8
145.10156	12.6
147.11635	14.9
149.13272	3.0
153.05476	3.6
155.08630	3.2
157.10115	6.0
159.11696	10.1
161.13277	3.2
165.05481	9.2
167.07101	3.6
167.08565	4.6
169.10078	4.5
171.11731	5.7
173.13231	4.7
175.54965	2.7
179.07037	3.4
181.10104	3.4
189.05563	3.9
189.12677	2.6
191.07097	3.1
193.10196	3.4
195.11725	4.7
197.09692	4.0
197.13168	2.8
199.14830	6.4
201.16368	11.7
203.07072	7.0
203.17900	7.7
205.08505	3.0
209.13177	4.7
213.09148	2.5
217.08595	7.3
219.10178	9.9
221.13284	3.1
223.14688	5.0
225.12762	4.1
227.14291	3.5
235.09413	2.8
236.11554	2.6
237.11118	14.2
239.14285	8.0
240.14784	2.6
243.10136	7.0
251.17966	5.1
253.15894	5.2
255.17482	10.2
261.16531	3.0
265.15778	6.4
267.17474	5.0
269.19177	3.1
279.17343	5.6
281.19107	4.3
283.16922	7.6
295.16907	3.1
297.14877	9.1
297.18518	21.0
310.15625	6.8
335.19888	2.7
339.19556	11.6
341.20865	4.0
343.23935	2.8
351.19687	3.3
353.21063	100.0
357.20526	7.5
359.22455	7.1
371.21979	3.6
374.29688	3.5
375.30499	6.1
387.27054	3.4
395.29251	5.5
401.28149	13.9
403.29730	4.0
419.29407	10.9
421.27527	15.2
431.27945	2.8
431.32910	14.0
457.31119	3.6
475.32031	19.0
493.32883	8.1
499.39316	66.5
517.40533	22.1
526.41437	2.9
543.38080	11.5
561.39465	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	561.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.2
55.55060	2.6
57.07067	7.8
67.05488	9.5
69.07062	23.0
71.81332	5.7
78.79411	3.1
79.05479	9.3
81.07041	29.0
83.01332	5.0
91.05468	12.9
93.07033	29.9
95.04951	3.8
95.08601	33.0
97.10165	8.2
105.07010	15.5
107.08580	53.4
109.10142	13.5
119.08566	17.1
121.01295	3.0
121.10149	16.6
123.11687	8.2
129.06972	3.5
131.08582	7.4
133.06519	2.8
133.10120	23.3
135.11682	78.9
135.12643	6.4
137.13225	19.4
143.08527	5.0
145.10109	9.8
147.08038	3.1
147.11687	14.7
149.13210	3.5
153.05510	3.5
155.08551	3.9
157.10185	3.2
158.43063	3.8
159.11703	6.3
161.13393	3.0
165.05453	10.5
166.92821	3.5
167.07101	3.8
169.10068	3.9
171.11714	4.1
173.13283	4.5
181.10112	3.7
183.11685	4.9
185.09726	3.4
185.13237	4.1
191.07025	3.3
195.11783	4.4
197.13286	4.1
199.10878	3.0
199.14729	3.4
201.16377	11.8
203.06995	3.6
203.17978	12.8
209.13278	6.6
211.14766	4.9
215.07028	4.3
217.08507	4.8
219.10141	8.7
225.12967	3.9
229.08475	6.3
235.09549	4.8
235.14670	4.5
237.11172	9.4
239.14232	7.3
241.19543	3.2
253.15910	3.4
255.17413	6.7
265.15909	6.0
269.15292	3.5
279.17297	7.0
281.19016	4.3
283.16940	10.0
297.15210	5.4
297.18518	21.9
310.15692	5.4
339.19540	11.2
353.21094	100.0
357.20547	7.9
359.22690	4.4
371.22098	5.2
374.29776	4.0
375.30466	6.0
377.28729	4.6
401.28275	19.1
419.29453	13.4
421.27609	17.8
431.33286	15.6
439.28589	4.0
457.30954	3.9
475.32114	24.4
493.33026	6.1
499.39374	81.6
517.40186	26.6
543.38306	9.8
561.39386	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55467	1.8
53.03936	2.9
53.39030	1.5
55.01863	6.8
55.05233	2.0
55.05500	35.0
57.03431	15.2
57.07058	3.7
57.22642	1.6
57.92993	1.6
59.04985	1.9
65.03925	3.0
67.05494	80.2
69.03410	2.7
69.07050	26.1
69.85474	12.0
71.04977	9.1
71.08607	3.6
79.05019	3.1
79.05482	55.8
81.03405	28.7
81.07043	69.7
83.04970	13.8
83.08597	18.9
85.02886	5.4
85.06512	2.8
91.05466	60.0
93.07030	55.9
95.04950	19.3
95.08593	40.7
96.08910	2.0
97.02888	2.3
97.06498	10.2
97.10142	14.0
98.21404	3.6
99.08073	5.3
103.05418	2.4
105.06322	3.4
105.07014	56.9
107.04926	8.3
107.08581	30.1
109.06503	7.9
109.10149	29.5
111.04379	1.6
111.08069	6.0
113.05972	2.2
115.05433	4.0
117.06998	21.3
119.08564	42.2
121.06480	4.3
121.10138	19.1
123.04417	1.9
123.08044	4.4
123.11696	6.0
125.09627	10.9
128.06180	4.2
129.06970	21.7
131.08549	44.0
132.08867	2.1
133.06461	3.5
133.10114	30.8
135.08017	4.9
135.11687	13.4
137.09590	2.1
137.92169	1.7
141.06964	4.8
142.07747	4.6
143.08556	20.2
144.09315	1.7
145.10097	30.3
147.08018	4.2
147.11664	26.1
149.09639	7.8
149.10667	1.7
149.13229	7.2
151.11154	4.3
155.08568	10.2
156.09370	2.0
157.10103	22.7
159.08072	2.6
159.11670	21.5
161.09584	3.1
161.13263	12.9
163.11140	5.8
163.14731	2.0
165.12715	2.1
167.08507	5.1
169.10098	11.0
171.11665	19.8
173.09650	3.7
173.11723	4.3
173.13248	11.8
175.11140	6.8
175.14825	6.3
177.12746	4.0
179.14334	3.2
181.10114	7.6
181.12097	1.7
182.10823	1.8
183.11649	8.8
185.13243	13.1
187.11214	2.5
187.14804	4.6
189.11208	6.3
189.12727	2.8
191.10675	2.0
193.12267	15.5
195.11617	6.0
195.13841	1.5
197.13168	8.3
199.14793	6.6
201.12550	1.7
201.16397	2.6
207.11800	2.8
209.13231	4.2
211.13251	18.2
211.14854	3.7
213.16476	2.1
217.15891	2.2
223.14973	2.1
225.16382	2.1
227.12759	6.6
227.17850	1.9
229.14247	5.3
231.20970	3.6
235.14796	1.9
237.16434	1.8
239.17848	2.0
241.19479	11.2
259.20520	26.7
260.20938	1.8
267.15930	6.5
269.17465	2.7
273.18512	2.4
275.19931	10.0
277.21719	9.9
285.16837	14.7
285.21851	2.0
291.19565	2.5
297.21945	3.2
299.23505	3.4
299.96967	1.8
301.21487	2.6
309.21860	1.8
313.21530	3.3
315.23026	8.5
326.93060	1.9
331.22446	2.0
333.24207	16.1
349.23453	2.4
351.25137	2.9
357.24384	2.4
389.26620	3.2
392.71838	1.7
405.31436	2.0
413.27374	2.1
415.29849	4.2
423.32596	2.1
433.30856	10.9
445.29340	2.8
447.27341	2.8
451.31863	12.0
463.30502	1.8
469.32993	11.8
487.34094	3.9
507.34424	4.7
515.37085	3.6
517.35181	6.1
525.28320	3.0
525.35712	26.0
543.36786	100.0
544.36847	5.9
561.37799	45.2
562.38129	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	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03939	5.6
54.76680	1.1
55.01862	15.7
55.05503	27.1
57.03424	7.8
57.07065	10.3
57.22999	0.9
59.04989	1.8
65.03925	3.5
67.05491	69.7
69.03417	6.1
69.04549	1.3
69.07054	21.2
71.04978	6.9
71.08614	2.0
71.81063	1.3
71.81477	1.1
73.02898	2.2
78.04694	1.1
79.05479	65.5
80.06257	4.6
81.03402	16.3
81.07040	65.0
82.04192	4.6
83.04967	15.4
83.08605	15.1
85.02898	3.1
85.06520	4.8
88.19025	0.9
91.05463	52.0
91.81844	0.9
93.07026	57.2
94.07817	2.5
95.04945	22.6
95.08588	42.4
97.02872	2.5
97.06508	11.7
97.10145	9.0
98.07283	5.8
99.04468	1.3
99.08082	3.1
103.05492	1.3
105.04517	2.0
105.07010	43.0
106.07785	2.0
107.04922	5.1
107.08573	34.7
108.09340	2.2
109.06503	6.4
109.10138	22.8
111.04429	3.2
111.08076	6.4
113.05989	1.6
115.05438	2.4
117.05448	1.7
117.07000	16.7
119.04875	0.9
119.08562	30.2
121.06480	4.2
121.10124	26.4
123.08064	5.0
123.11699	4.0
125.09605	7.2
127.11163	2.2
128.06197	2.0
129.06964	7.8
130.07744	1.2
131.08548	25.3
133.06508	2.5
133.10107	22.7
135.08005	5.3
135.11676	18.8
137.09624	3.6
139.11098	2.2
143.08514	6.5
145.06500	2.1
145.10103	17.5
147.08051	2.9
147.11653	16.7
148.12442	1.0
149.09631	7.0
149.13269	6.0
151.11171	3.6
153.12706	1.5
155.08580	1.7
155.10547	1.0
157.10074	8.1
158.05659	2.2
159.08109	1.8
159.11688	10.5
161.09605	1.6
161.13222	7.0
163.11128	6.2
165.12843	2.3
169.10120	3.0
171.06500	3.1
171.11690	4.2
173.11826	2.1
173.13213	8.2
175.11212	5.4
175.14790	3.5
177.12711	2.2
179.14326	3.2
181.10181	1.8
183.11646	2.4
185.13245	4.0
187.14830	3.4
189.11217	2.7
189.12772	1.8
191.10658	1.4
193.12178	6.4
197.13222	2.7
199.14816	2.6
201.12735	1.2
201.14738	1.7
201.16411	1.8
209.11752	3.1
211.13176	6.0
211.14960	1.1
213.16399	1.7
221.15346	1.4
227.12668	4.8
229.14403	3.3
243.21045	1.7
255.15959	1.8
259.20544	3.1
261.22198	3.9
267.15863	5.8
269.17468	1.9
274.91910	1.0
275.20001	2.7
277.21652	7.3
283.15463	2.3
285.22159	1.8
289.21729	1.5
290.09198	1.0
301.21613	2.1
315.23132	7.1
317.24686	1.9
331.23053	1.1
333.24173	2.5
335.25763	2.0
351.25308	2.2
389.26904	3.6
403.28433	1.3
423.32513	1.7
433.31134	1.7
451.32086	4.0
459.34726	1.6
469.33246	4.6
487.34146	3.2
515.37378	1.3
525.35645	4.2
543.36707	28.1
544.37042	1.4
561.37756	100.0
562.38135	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	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01863	9.4
55.05504	45.6
57.03423	8.8
57.07065	2.5
65.03930	2.9
67.05145	3.7
67.05494	64.1
69.03441	4.7
69.07055	24.0
69.61138	16.4
69.61543	4.3
71.04984	5.0
79.05479	44.9
79.18236	2.5
81.03416	13.2
81.07048	63.7
83.01326	4.0
83.04964	13.8
83.08598	20.0
85.06534	35.2
85.40157	2.3
91.05465	35.8
93.07034	53.7
95.04954	10.4
95.08591	35.5
97.06537	7.6
97.10160	25.0
98.20602	2.5
99.08067	4.8
105.07018	41.0
107.04935	9.3
107.08574	38.1
109.06488	4.7
109.10132	26.5
111.04427	6.8
111.08058	11.6
117.07011	21.9
119.08556	29.9
121.06504	4.7
121.10116	20.7
123.08079	3.8
123.11661	9.9
125.09608	20.7
128.06252	2.8
129.07001	8.9
131.08556	25.1
133.06439	2.8
133.10112	19.7
135.08028	6.7
135.11678	16.1
137.09624	3.7
143.08562	8.7
145.10094	24.7
147.07982	2.9
147.11665	15.0
149.09634	3.7
149.13251	6.3
153.09103	2.3
153.12714	4.6
155.08530	4.4
157.10074	12.0
159.08005	3.8
159.11720	14.5
161.09631	4.9
161.13252	8.9
163.11156	14.5
163.14807	3.5
165.05533	4.0
165.06938	2.2
169.10143	5.0
171.11615	9.4
173.09572	2.5
173.13271	12.3
175.11270	2.7
175.14787	4.0
177.05444	3.2
177.12813	2.9
179.14288	3.5
181.12285	4.8
183.11697	3.2
185.13235	8.2
187.14842	4.1
189.09592	2.4
189.11227	15.9
189.12756	3.5
189.16377	2.1
191.10616	3.4
193.12184	3.7
195.11743	3.2
197.13269	4.4
199.14799	4.5
201.16388	2.5
205.08492	3.1
213.16182	2.3
217.08589	4.0
227.12733	23.8
235.09650	9.5
243.10344	2.1
245.13667	2.8
259.20551	6.1
261.22083	11.7
277.21686	2.9
283.15408	14.6
299.23563	17.3
301.21521	5.0
316.11758	2.0
317.24686	7.8
333.24307	4.3
335.25806	13.1
423.32886	2.1
433.30917	5.6
442.98453	2.1
451.31985	10.6
469.33444	12.2
487.33981	9.2
515.37128	4.3
525.35583	20.1
543.36707	100.0
561.37805	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88597	1.9
53.03934	4.1
55.01866	10.0
55.05504	40.5
57.03423	7.2
57.07060	6.7
65.03930	6.1
67.05498	69.1
69.03397	3.7
69.07069	24.3
70.23197	11.6
71.04988	4.2
71.08614	4.1
73.48823	1.7
79.05486	50.0
81.03421	11.8
81.07048	68.9
83.04974	17.2
83.08614	22.5
84.62498	1.7
85.02881	2.7
85.06532	6.6
91.05475	46.3
93.07035	53.2
95.04955	13.0
95.08592	38.9
97.06529	7.4
97.10162	25.4
98.21569	2.0
99.08076	6.3
105.04483	2.4
105.07012	39.6
107.04949	7.6
107.08586	37.6
108.08921	2.4
109.06518	7.0
109.10147	28.4
111.04423	6.5
111.08083	8.0
117.07016	19.2
119.08556	33.0
121.06496	5.4
121.10136	22.2
123.08078	6.1
123.11700	8.6
125.09608	21.4
129.07005	12.9
131.08560	28.6
133.06454	3.7
133.10107	22.1
135.08029	4.8
135.11684	21.9
137.09647	2.9
141.06955	2.6
142.07733	3.6
143.08569	8.1
145.06471	2.7
145.10104	24.2
147.08031	3.1
147.11674	16.7
149.09630	6.2
149.13289	7.0
151.11169	2.3
153.05397	2.8
153.12753	7.0
155.08527	5.5
157.10052	10.9
159.08037	2.4
159.11696	14.6
161.09618	4.0
161.13251	7.3
163.11145	16.1
163.14748	2.2
165.12798	2.1
169.10132	8.1
171.11707	7.7
173.09605	4.2
173.11908	2.8
173.13194	10.9
175.11150	4.7
175.14810	3.5
177.12700	2.1
177.16432	2.0
181.10315	2.1
181.12256	5.1
183.11734	5.5
185.13217	5.8
187.14848	2.6
189.11247	13.1
189.12767	2.8
191.10695	3.1
193.12195	3.3
195.11719	3.4
195.13843	2.4
197.13348	3.1
199.14818	3.7
201.16342	4.6
207.11725	2.9
209.11693	2.6
211.13150	2.6
213.16385	2.7
227.12718	30.0
243.21001	3.8
259.20526	4.7
261.22183	12.7
264.30530	2.1
267.16086	5.5
275.20044	4.7
277.21570	6.4
279.23462	2.9
281.22620	2.3
283.15414	19.1
293.21085	14.6
299.23508	9.5
301.21625	4.1
315.23248	3.9
317.24792	10.3
319.22644	2.5
333.24298	4.5
335.25778	10.0
351.25223	2.7
433.30829	7.3
451.32013	10.7
469.33279	12.4
487.34198	7.1
515.37317	3.0
525.35724	19.6
543.36780	100.0
544.37164	5.6
561.37854	69.1
562.38098	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	561.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.01849	0.3
55.05495	0.8
55.64348	0.1
55.93397	0.1
57.03414	0.2
61.42400	0.1
61.85642	0.1
65.03927	0.2
67.05491	1.0
69.03401	0.3
69.07040	0.5
71.47777	0.1
71.80132	0.2
79.05478	0.9
81.03404	0.8
81.07050	1.1
81.35520	0.1
83.08595	0.4
85.02876	0.4
86.09746	0.1
91.04958	0.1
91.05468	1.0
93.07018	0.6
94.34554	0.1
95.04961	0.6
95.08578	0.4
97.02882	0.2
97.10135	0.4
99.04449	0.1
105.07028	0.6
107.04911	0.3
107.08562	0.5
108.08876	0.2
109.02878	0.2
109.06525	0.2
109.10104	0.3
115.05443	0.1
117.07011	0.3
119.08540	0.6
120.08897	0.3
121.06503	0.2
121.10093	0.4
123.04432	0.2
123.11634	0.1
125.09589	0.4
127.03867	0.2
131.08545	0.2
133.06412	0.2
133.10124	0.2
135.07974	0.2
143.08527	0.2
145.06436	0.3
145.10100	0.3
147.04401	0.3
149.09560	0.2
157.10103	0.2
159.08075	0.2
161.05989	0.1
173.09566	0.2
175.03983	0.2
189.11205	0.2
193.12173	0.3
201.05487	0.6
203.03383	0.5
211.13182	0.2
215.03233	0.2
227.12625	0.4
229.04941	3.0
239.03278	0.1
257.04410	100.0
258.04709	1.3
313.10657	24.4
314.10968	0.3
363.21268	0.3
364.22180	0.3
505.09668	0.3
543.29266	0.3
560.35706	0.4
561.15967	1.1
561.29431	0.6
565.67261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43082	0.2
55.01845	0.9
55.60206	0.2
57.03423	1.7
61.02919	1.7
67.05489	1.4
67.22064	0.3
67.22463	0.2
69.03100	0.3
69.03420	3.9
70.06577	0.6
71.01330	0.6
71.05004	0.4
71.81653	0.3
71.82037	0.4
73.02891	1.5
77.98454	0.2
81.03387	1.1
85.02897	6.1
86.09683	0.5
86.97838	0.3
87.04440	1.0
91.03959	0.4
97.02889	2.5
99.04442	0.7
109.02853	0.9
115.03882	0.3
123.04412	0.8
127.03914	1.3
133.55835	0.3
134.04599	5.4
135.02946	0.4
145.04895	0.8
152.05721	1.4
156.05527	0.3
158.07097	0.3
165.01045	0.4
165.02306	5.4
167.02554	0.6
170.78297	0.3
175.09763	0.8
181.05389	0.9
182.04939	100.0
183.05125	0.4
185.08167	0.7
190.03053	0.5
194.04935	4.2
200.09326	1.1
201.10098	0.3
205.05415	3.9
211.35304	0.3
215.03902	0.4
216.04662	2.2
219.06918	1.3
224.05995	1.1
231.06966	11.3
233.07358	0.4
235.09590	0.4
236.09927	0.4
248.09631	28.2
266.10666	55.1
267.10889	0.5
287.05301	0.6
288.05826	0.6
314.09061	0.7
336.28180	0.3
344.10196	0.5
380.13867	0.6
398.14880	10.0
428.15952	46.5
429.16162	0.8
560.20160	41.3
561.20483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.1
53.03946	10.1
55.01857	5.1
55.05507	29.7
57.03429	11.9
57.07072	3.3
65.03937	4.5
66.68168	2.0
67.05496	95.4
69.03411	3.1
69.07059	21.7
70.10432	6.3
70.10844	4.2
71.04974	4.2
79.05484	100.0
81.03413	7.8
81.07046	89.9
83.04967	13.5
83.08627	11.1
85.06568	3.3
88.07633	2.3
91.05470	72.3
93.07034	99.1
95.04962	26.5
95.08596	54.3
97.06516	6.2
97.10163	5.6
99.08091	2.4
102.09159	3.0
105.04543	2.2
105.07022	53.3
107.04955	6.9
107.08585	32.9
109.06503	6.1
109.10133	18.4
111.08038	3.4
115.05425	2.5
115.50416	1.7
117.07027	13.6
119.08582	34.6
121.06478	2.2
121.10135	19.7
123.08076	4.6
123.10792	1.9
123.11704	6.1
127.07522	2.5
128.06241	2.3
129.06998	20.3
130.15883	3.4
131.08560	12.6
133.10097	22.0
135.08032	3.0
135.11655	12.9
143.08545	11.1
145.10092	15.0
147.08142	2.4
147.11662	41.2
149.13228	7.1
150.71921	1.7
151.11115	2.4
155.08522	3.4
157.10133	3.0
159.11682	6.8
161.09627	5.2
161.13199	18.0
163.11145	2.3
163.14738	2.7
169.10097	1.9
171.11667	25.8
173.13271	4.6
177.12729	2.4
179.44005	1.8
185.13185	3.3
187.11278	2.4
187.14848	2.7
189.12706	13.4
207.13786	32.5
243.20955	3.3
256.26483	4.3
257.26730	4.0
261.22147	11.1
279.15787	4.7
281.17432	60.2
291.19669	2.3
317.24762	3.9
335.25760	69.0
467.35065	2.0
541.38849	93.7
542.39331	2.9
559.37848	9.3
579.50372	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42822	2.2
51.87987	2.2
53.03933	6.5
55.01851	4.6
55.05504	29.1
56.71637	2.5
57.03429	15.0
57.07060	8.1
65.03922	3.1
66.77618	2.5
66.84593	2.4
67.05496	100.0
68.79860	2.5
69.03468	2.9
69.07069	23.6
69.84647	18.2
71.04977	5.5
71.08634	5.8
79.05482	84.2
80.05788	2.6
81.03406	10.7
81.07046	77.1
81.48331	2.6
83.04974	13.5
83.08598	11.1
84.94725	2.4
85.06495	4.1
87.80253	2.6
91.05466	64.5
93.07030	86.9
95.04958	23.2
95.08592	57.3
96.51847	2.6
97.06532	6.0
97.10149	6.7
99.08046	5.1
105.07014	43.4
107.04941	9.8
107.08573	38.4
109.06472	6.1
109.10140	18.7
111.08049	3.0
117.07001	15.9
119.08569	31.8
121.06535	3.3
121.10109	24.1
123.08073	5.4
123.11681	8.3
128.06207	3.6
129.07008	16.4
131.08543	17.5
133.10109	23.9
135.11671	17.1
143.08548	11.3
145.10124	17.2
147.11676	31.3
149.13231	10.6
157.10158	3.4
159.11702	7.0
161.09636	6.0
161.13231	11.1
163.11147	4.0
163.14819	2.9
171.11655	27.9
173.13286	6.5
179.14287	10.2
187.14832	4.2
189.12759	7.9
197.13289	3.3
201.16290	2.7
207.13831	22.8
209.15366	3.3
227.12762	3.9
243.21220	2.9
261.22089	8.7
277.21524	4.8
281.17480	32.3
310.60492	2.5
317.24454	2.9
335.25763	68.4
394.82861	2.7
449.33981	3.1
516.84454	3.0
541.38916	98.8
559.39606	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	559.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	0.5
57.07074	0.5
69.03433	0.6
71.04083	1.0
71.04432	0.6
73.12926	0.4
76.30475	0.4
79.01856	0.7
81.03427	0.7
85.02888	3.1
95.91056	0.4
97.02891	1.4
99.60007	0.4
109.02855	0.7
123.04430	0.9
145.02756	0.5
147.04411	0.7
163.03889	1.3
203.03482	0.4
205.04921	0.6
206.05771	0.8
207.10101	0.6
216.07538	0.5
217.04904	3.0
218.05678	1.5
219.06544	2.3
220.07283	6.3
223.09692	0.7
230.05698	0.9
231.06602	1.0
231.10147	0.6
232.07245	0.5
235.09641	1.7
241.04906	0.5
243.03099	0.6
244.07367	0.6
247.06020	2.0
247.09636	34.9
248.06810	4.2
248.10332	4.6
257.08029	0.9
258.08942	2.1
259.06509	2.2
259.09622	7.1
260.06757	0.8
261.03961	1.4
261.11246	6.5
271.06061	1.2
271.09579	0.8
272.06824	1.1
272.10342	0.9
273.11176	2.0
275.09128	1.9
277.10681	51.7
278.11093	1.3
287.09427	1.0
287.12723	9.9
289.10532	2.6
291.12271	0.6
301.10669	15.2
303.12225	0.5
307.11768	3.9
313.10916	0.7
315.12262	4.5
319.11652	1.4
321.26422	0.4
325.10358	0.6
331.11713	11.7
343.11697	7.9
361.12790	15.0
379.13849	14.7
397.14905	100.0
398.15295	2.0
407.07654	1.0
443.56488	0.5
522.14288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94017	0.4
51.94084	0.4
70.90659	1.0
70.91026	0.8
74.02430	0.7
74.09661	0.5
89.03925	1.9
91.05459	0.8
115.05435	1.3
117.03370	1.4
117.05765	1.0
117.07034	0.9
118.06516	17.6
123.04428	0.6
130.06490	1.5
132.08076	5.2
135.04408	3.5
142.06483	1.6
143.07297	2.0
144.04410	0.5
144.08058	13.1
145.02863	1.6
146.05984	60.6
147.06418	0.7
159.09154	7.0
160.07562	0.9
163.03877	16.3
164.04175	1.2
170.05992	4.2
188.07034	100.0
189.07344	1.4
203.36517	0.5
205.09691	45.0
252.97884	1.5
378.98752	0.9
409.01807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.05499	14.3
57.03434	13.4
57.06796	1.6
57.07066	30.5
58.58245	1.3
65.03912	1.2
67.05502	22.3
69.03413	4.5
69.07064	9.6
71.04980	3.4
71.08294	1.9
71.08623	21.0
71.48741	1.3
71.81785	2.7
79.05482	12.5
79.75603	1.3
81.02930	2.9
81.03404	49.5
81.06600	2.0
81.07047	25.5
83.04978	12.1
83.08614	25.3
83.79972	1.4
85.02887	14.5
85.10172	13.8
88.30523	1.5
89.06009	2.3
91.05460	16.4
93.07035	10.8
95.04955	19.9
95.08606	19.4
97.02894	2.1
97.06491	2.2
97.10154	6.5
105.07021	12.3
107.04925	2.5
107.08565	6.3
107.98832	1.3
109.06501	2.3
109.10139	9.6
111.04472	1.9
111.08075	5.8
116.76646	1.4
119.08573	10.8
121.10123	5.1
123.11692	3.7
129.06975	8.2
131.08551	5.1
133.06516	2.7
133.10126	4.4
137.09575	1.6
145.10164	3.1
147.11656	9.9
149.09604	4.1
157.10147	10.5
165.12787	1.9
175.11182	11.3
193.12239	30.4
211.13271	53.8
239.23631	1.6
245.53648	1.5
256.26279	1.6
267.15866	11.6
284.26782	2.4
285.16943	43.9
313.27341	70.4
465.35666	2.0
505.38501	9.8
523.39893	100.0
524.39905	2.6
557.53278	2.4
558.44946	1.5
558.53375	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	558.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35311	1.2
53.03925	3.6
55.01854	2.3
55.05282	1.2
55.05505	15.9
57.03430	18.2
57.06804	2.3
57.07069	33.1
65.03933	1.8
67.05496	27.4
69.03400	3.5
69.07058	18.6
71.04961	4.0
71.08623	23.3
71.82218	2.4
79.05485	22.2
79.47185	1.2
81.03403	46.1
81.07047	34.5
83.04974	14.8
83.08604	23.2
85.02452	1.8
85.02894	17.3
85.06488	1.6
85.10178	12.3
89.06009	5.4
91.04927	2.0
91.05468	27.3
91.46736	1.3
93.07027	17.7
95.04958	18.3
95.08599	29.7
97.06499	3.9
97.10143	7.3
103.07571	2.6
105.07021	20.2
107.04935	4.8
107.08581	8.9
109.06485	4.0
109.10134	12.0
111.08067	8.0
111.11709	1.5
113.05988	2.4
117.06980	1.7
119.08570	17.0
121.10128	11.3
123.08040	3.0
123.11687	5.2
127.07578	1.3
128.06224	1.8
129.06995	7.6
131.08548	8.5
133.06454	2.4
133.08575	2.1
133.10120	11.3
135.11673	2.4
142.07735	1.8
145.10103	2.4
147.08008	1.6
147.11678	14.8
149.09630	5.8
151.14752	1.3
157.10114	12.2
159.11673	1.5
161.13353	1.5
165.05571	1.8
165.12737	1.7
167.03397	1.4
175.11163	13.0
193.12221	42.6
201.16365	4.0
203.17911	4.3
204.11935	1.3
211.13271	67.6
214.38707	1.2
233.62143	1.3
239.23610	3.1
257.24670	1.3
267.15860	17.9
285.16922	71.3
286.17130	1.5
313.27325	100.0
351.01364	1.2
362.09012	1.4
420.25543	1.5
505.38895	14.0
523.39880	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01864	2.8
57.01678	1.1
57.03413	1.5
57.12803	1.4
61.02913	3.4
69.03416	9.8
70.36086	7.3
71.01320	1.3
79.05466	5.3
81.03410	7.3
85.02895	18.3
91.05460	11.7
93.07057	1.9
95.04951	2.8
97.02875	6.8
99.04465	1.5
103.05450	18.7
105.07026	11.1
106.42517	1.3
107.04939	24.4
109.02895	3.2
109.06475	1.7
110.03450	1.2
115.05420	4.0
116.64433	1.4
117.06978	2.8
119.04930	13.1
121.06484	6.1
122.03617	2.5
123.04407	2.1
127.03907	8.5
129.06995	3.6
130.04121	2.1
131.04924	25.9
131.08516	2.3
133.02811	9.2
133.06468	14.8
135.04324	1.5
135.08047	7.2
137.05962	100.0
145.04939	4.2
145.06470	3.8
147.04396	14.1
148.05162	2.3
149.05972	15.4
150.06723	3.1
151.06345	2.5
151.07520	33.8
157.06470	3.7
161.04570	1.6
161.05969	59.7
161.09596	13.7
162.06702	6.4
163.07523	77.8
165.05510	3.0
165.09114	5.1
167.07007	3.0
167.08577	1.9
169.06454	2.4
174.06717	2.4
175.07524	13.3
177.05400	5.5
177.09093	12.9
179.07036	17.7
181.08589	13.0
183.10184	1.4
187.07539	2.1
189.09076	47.3
189.85416	1.4
191.07014	4.8
193.08536	3.1
193.10133	2.0
195.08078	3.2
195.10146	4.0
201.09134	2.6
203.06953	3.2
203.10580	2.1
207.10150	82.5
208.10484	3.3
215.06943	2.0
217.08546	2.5
219.10124	8.3
221.09608	1.9
221.11617	3.1
223.07668	1.8
224.08344	2.4
225.11150	1.7
227.10678	6.8
229.08463	2.0
231.10231	1.5
233.07790	1.7
245.08076	2.3
249.09030	2.0
253.08546	3.5
253.12169	3.1
255.10159	5.7
263.09268	1.8
267.10025	2.0
273.11203	4.4
281.11664	2.0
285.11197	4.5
287.05478	1.5
287.12808	10.6
291.12149	6.5
297.11230	2.8
299.12622	2.8
305.10129	2.4
309.13275	3.3
311.12814	9.6
313.14380	15.8
325.14398	1.5
331.15369	52.2
332.15417	1.7
341.12418	2.2
343.15469	10.6
373.13910	1.5
397.15955	1.6
521.43207	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01862	15.5
55.05506	30.0
57.03429	31.1
57.06796	3.9
57.07069	58.7
61.02921	2.3
62.03935	1.9
65.03935	2.6
66.77919	2.1
67.05496	39.9
69.03403	5.8
69.07058	20.4
69.38730	2.1
71.08621	43.7
71.81773	3.1
72.31729	2.1
73.02888	7.0
73.06549	2.5
79.05485	23.3
80.06270	2.7
81.03400	10.0
81.07042	36.2
82.04169	3.3
83.04976	11.9
83.08614	19.7
85.06563	2.8
85.10168	22.1
87.04456	5.2
89.06023	34.0
90.06345	4.1
91.05483	18.9
93.07018	21.0
95.04969	11.6
95.08594	31.5
97.02840	3.0
97.06527	5.5
97.10172	19.9
98.07298	8.6
99.11713	2.9
105.07018	16.9
107.04971	5.8
107.08596	14.8
109.10126	15.9
111.08069	4.2
111.11826	2.9
116.04684	16.1
117.07034	2.8
117.09117	2.5
119.08559	8.0
121.10128	8.4
123.08045	6.5
123.11655	4.5
124.08852	2.3
125.09631	15.0
129.05469	32.4
129.06981	4.3
130.76813	2.0
131.08563	8.4
133.08580	18.8
133.10100	6.5
134.08928	3.6
135.11696	5.8
137.09622	2.8
143.07034	7.1
143.08633	3.6
145.10101	8.7
147.08020	2.5
147.11661	8.3
157.08592	20.5
157.10005	4.9
159.11653	3.2
163.11128	4.1
171.06477	3.0
171.10132	6.9
171.11566	2.6
173.09697	7.3
175.11137	5.9
177.11212	6.7
181.10139	2.3
183.86925	3.0
189.11230	4.7
191.10577	3.6
193.12270	4.5
199.13222	3.6
200.14049	4.0
209.11519	2.6
217.14259	2.1
227.12741	12.6
239.23598	5.7
255.15839	3.2
257.24841	4.2
258.24927	2.9
267.15842	4.9
301.16428	88.6
313.27328	100.0
334.60822	2.3
367.28424	5.1
372.23282	3.2
395.31500	2.7
438.36758	6.1
484.19278	2.7
505.38568	3.5
539.39423	52.8
540.41241	7.0
557.26453	5.6
557.34308	2.9
557.52649	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99960	1.0
53.03938	3.1
55.01854	4.8
55.05272	1.5
55.05505	20.9
57.03436	6.2
57.07056	3.4
65.03928	1.9
67.05138	2.4
67.05495	41.0
69.03405	1.8
69.06736	1.7
69.07067	19.2
70.55824	5.0
71.04979	3.3
79.05488	47.0
81.03394	5.2
81.07044	42.5
82.55748	1.3
83.04957	5.0
83.08620	10.1
85.06533	3.0
91.04925	2.0
91.05471	40.5
93.07035	39.6
95.04961	9.8
95.08595	32.8
97.02950	1.2
97.06521	7.9
97.10141	5.7
98.20704	1.4
99.08059	1.4
100.05862	1.1
103.05431	2.3
105.07017	40.7
105.07725	2.0
107.04974	6.8
107.08588	23.0
109.06493	4.4
109.10149	11.6
111.08089	3.2
115.05421	3.1
117.07005	18.3
119.08571	26.7
121.06479	1.5
121.10125	14.2
123.08051	3.3
123.11665	2.4
125.09603	2.6
128.06215	4.3
129.06993	17.9
131.08560	29.3
133.06517	1.5
133.09213	1.2
133.10126	20.1
135.08034	4.0
135.11678	14.0
137.09509	1.7
139.07625	1.2
139.11174	1.6
141.06999	7.1
142.07741	4.1
143.08534	23.5
145.06526	1.8
145.10118	25.8
147.08061	3.4
147.11685	18.2
149.09619	2.0
149.13268	3.5
151.11177	1.8
154.07732	2.6
155.08536	17.5
156.09203	1.9
157.10107	17.8
159.08029	2.6
159.11679	16.5
161.09607	1.7
161.13260	10.6
163.11185	9.3
163.14854	1.8
165.06993	2.5
166.07796	1.9
167.08533	5.6
168.09344	2.3
169.10103	21.3
171.07997	1.6
171.11682	20.2
173.09627	2.5
173.13246	12.2
175.11179	2.2
175.14818	3.7
177.12683	3.1
179.08510	3.6
179.10605	1.8
179.14259	2.7
181.10086	13.7
181.11656	1.2
181.12308	1.5
182.10828	1.7
183.11658	17.5
184.12657	1.6
185.13223	12.2
187.11176	2.5
187.14778	5.1
189.12753	1.9
191.14268	1.5
193.10114	4.6
195.11703	11.4
197.13234	11.4
199.11198	2.1
199.14828	8.0
201.12758	1.4
201.16331	2.9
205.12207	1.3
205.15860	1.4
207.11667	3.8
207.13766	3.8
209.13196	5.9
211.14757	8.7
213.16394	7.2
215.14511	1.4
215.17894	1.5
219.11653	1.5
219.17413	1.5
221.13225	3.8
223.14812	5.4
225.16354	3.6
227.12689	7.6
231.21010	1.7
233.13081	1.6
235.14876	3.6
237.16400	4.7
239.17839	2.1
241.19518	5.0
247.14691	1.5
247.16953	2.6
249.16272	1.8
257.18976	4.2
259.20538	10.4
261.16437	1.7
261.22217	1.6
275.20172	10.1
279.15933	3.4
281.17264	7.7
295.20642	1.8
297.18549	1.6
297.22098	1.9
307.20294	1.2
311.20087	2.4
313.21606	2.2
315.23239	1.9
321.22061	1.7
323.23508	1.6
333.24274	5.3
335.23688	2.9
337.24954	1.5
339.23102	1.7
349.25058	2.9
363.26758	2.0
384.16968	1.3
384.45511	1.3
390.99826	1.2
419.33093	3.1
429.31430	4.0
437.34375	7.9
447.32642	22.3
465.33688	23.0
483.34735	16.0
495.34637	1.4
501.35538	2.2
503.35406	1.9
521.36639	9.6
527.37469	2.7
529.38763	7.8
539.37360	100.0
557.38733	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01846	2.3
55.05506	16.7
57.03427	6.1
57.07054	2.8
58.58356	0.7
65.03931	1.3
67.05495	31.3
69.07058	13.4
71.04981	2.7
79.05480	30.0
81.03403	2.5
81.07045	33.0
83.04957	3.5
83.08611	7.0
85.06531	3.2
91.05468	27.4
93.07034	28.1
95.04955	6.6
95.08588	24.6
95.09199	0.8
97.06508	4.1
97.10162	5.3
99.08087	1.6
103.05450	1.9
105.07017	28.9
107.04955	4.0
107.08582	16.6
109.06487	2.5
109.10133	8.6
110.44298	0.8
111.08079	1.4
115.05435	1.8
117.06997	13.5
119.08566	21.9
121.06489	2.3
121.10131	10.8
123.08059	2.6
123.11723	1.3
125.09638	2.3
128.06200	4.7
129.06996	15.1
131.08546	23.4
131.09483	1.5
133.06587	0.9
133.10114	14.9
135.08034	1.8
135.11661	6.1
137.09534	1.7
137.13283	0.9
141.06952	5.8
141.09123	0.9
142.07796	3.3
143.08549	17.1
145.06487	1.4
145.10094	22.2
147.08090	1.1
147.11658	16.0
149.09639	1.7
149.13263	3.2
151.11171	1.0
155.08540	17.8
156.09288	1.8
157.10124	17.1
159.08052	1.5
159.11685	14.2
161.09576	2.0
161.13237	9.7
163.11136	2.0
165.07024	1.0
166.07765	1.5
167.08521	7.0
168.09373	2.3
169.10109	17.9
171.08095	1.3
171.11673	20.1
173.09601	1.4
173.13234	10.2
175.11194	1.6
175.14751	3.8
177.12779	1.1
179.08577	2.6
180.09283	1.3
181.10104	11.9
182.10873	1.2
183.11670	17.0
183.13177	1.4
185.09631	1.0
185.13249	10.9
187.11118	1.9
187.14828	4.6
189.12776	2.1
193.10185	2.7
195.11691	11.5
196.12451	1.0
197.13248	12.9
199.11198	1.9
199.14790	7.8
200.89125	0.8
201.12877	1.4
201.16423	2.0
205.10124	1.9
207.11722	2.9
207.13809	4.0
209.13252	6.4
209.17125	0.8
211.14809	6.3
213.12686	1.3
213.16362	6.5
215.18079	1.1
217.15918	1.1
219.11731	2.0
221.13286	3.3
223.14813	5.4
225.12778	0.8
225.16490	4.3
227.17979	1.6
229.15982	0.9
231.17365	1.3
231.20998	1.4
235.14812	3.5
237.16400	4.1
239.18021	2.5
241.19524	6.0
247.14702	0.9
247.16956	2.3
249.16298	2.0
249.48097	0.7
251.14226	1.5
251.17929	2.5
255.17520	1.0
257.19028	1.9
259.20547	14.7
261.21991	1.5
267.17386	1.2
279.16074	2.7
281.17337	9.3
281.22552	0.9
287.20081	2.0
297.18567	0.9
297.22095	2.0
299.20096	1.3
299.23404	1.1
309.18417	0.9
309.22034	1.3
311.20084	1.3
313.21820	1.0
315.23389	1.8
321.21857	1.6
323.23758	2.6
325.21844	1.3
331.22827	1.4
333.24332	6.4
335.23776	3.0
337.21524	1.2
339.23230	2.1
341.24753	1.5
349.25366	1.1
353.24741	2.0
355.26297	1.3
363.26788	1.2
367.26447	1.6
377.24817	1.3
379.26065	0.9
381.28052	1.2
419.32922	4.5
429.31573	5.6
437.34149	10.4
447.32578	20.4
451.97107	0.9
465.33652	20.1
483.34741	17.0
485.34280	1.2
501.35840	2.6
503.35223	2.2
511.37643	3.4
521.36200	8.6
527.37335	3.6
529.38739	6.1
539.37256	100.0
540.37360	3.2
557.38348	53.4
558.38678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03944	7.1
53.88825	1.0
55.01617	1.0
55.01866	18.6
55.05249	1.9
55.05503	31.1
57.03414	4.4
57.07043	2.4
59.04989	2.5
65.03922	3.9
67.05494	52.7
69.03410	4.0
69.07059	35.4
70.48238	1.0
71.04974	5.7
71.08607	1.0
71.60426	0.9
71.78939	2.0
73.81750	0.9
77.03882	1.0
79.05482	50.6
81.03410	19.1
81.07046	66.2
83.01333	6.1
83.04528	1.3
83.04976	17.6
83.08610	16.5
84.05316	1.1
85.02911	2.5
85.06510	2.9
90.93085	1.0
91.05467	65.3
93.07032	55.3
95.01323	11.8
95.04962	21.1
95.08591	39.0
97.02874	3.1
97.06512	22.5
97.10155	7.4
99.08096	1.3
103.05421	3.5
105.04507	2.1
105.07015	82.4
107.04941	28.3
107.05669	1.3
107.08577	29.2
109.02903	1.0
109.06517	9.2
109.10150	12.5
111.04443	2.6
111.08070	4.5
113.09637	1.2
115.05435	2.9
115.61333	0.9
116.06210	1.2
117.06995	24.9
119.08568	46.3
121.06487	5.8
121.10137	14.9
123.04404	2.8
123.08047	9.1
123.11668	1.9
125.09601	5.9
128.06227	2.2
129.07024	4.9
130.07803	3.0
131.04907	1.6
131.08554	27.7
133.06421	2.2
133.10110	40.5
135.08002	5.2
135.11681	13.1
137.09590	3.8
141.06955	2.9
142.07726	1.2
143.08545	7.6
145.06465	4.4
145.10103	26.9
147.07994	2.6
147.11668	16.6
149.09619	9.1
149.13225	3.9
151.11128	2.2
153.12691	2.2
155.08531	2.6
157.10114	6.7
159.08041	2.3
159.11679	14.6
161.09592	2.7
161.13266	5.1
163.11156	21.7
165.09109	2.5
165.12733	1.5
169.10101	3.2
171.11707	4.9
173.09645	3.3
173.13177	5.3
175.11179	2.7
177.12711	3.8
177.94574	1.1
179.14282	22.5
183.11673	4.3
185.13205	1.9
187.11143	4.8
189.11243	1.6
189.12720	2.1
191.10622	1.6
193.12332	1.3
195.13837	1.2
197.13284	3.3
201.12746	1.8
209.11679	4.2
219.17409	1.4
227.12627	5.2
229.19579	1.8
239.17889	3.8
241.14227	1.4
247.20479	2.3
257.19016	10.9
265.14410	2.8
267.16043	1.2
275.20023	96.5
276.20352	3.1
279.15851	1.6
283.15387	1.9
289.17990	1.1
291.19571	2.2
293.21106	8.8
331.22412	1.5
347.21741	1.1
349.23587	5.6
447.28842	1.9
465.29846	2.1
539.33685	9.7
557.34644	100.0
558.34979	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01865	7.5
55.05502	22.0
57.03429	4.4
59.04980	1.0
64.09483	0.8
65.03923	2.0
65.66534	0.7
67.05495	30.6
69.03414	5.6
69.07059	15.9
69.60609	7.4
71.04972	2.6
75.56850	0.7
75.92475	0.7
79.05485	28.6
81.03408	33.9
81.07043	27.7
83.04961	6.3
83.08611	10.9
83.29045	0.7
84.34592	0.7
85.02884	1.3
85.06540	1.4
89.45376	0.7
91.05466	26.7
93.07030	21.3
95.04955	19.4
95.08591	13.3
97.02885	4.9
97.06530	4.6
97.10157	13.6
99.04457	0.9
103.05433	1.2
105.07013	20.5
107.04936	11.7
107.08564	14.3
109.06500	7.7
109.10155	8.9
111.04417	1.2
111.08051	3.4
115.05423	2.3
117.07016	9.5
119.04936	1.3
119.08564	16.2
121.06465	6.7
121.07167	0.7
121.10132	7.2
123.04401	1.1
123.08053	3.4
123.11674	1.7
125.05991	0.9
125.09605	9.9
128.06174	2.5
129.05466	0.9
129.06995	9.0
131.04878	1.3
131.08549	12.4
133.06462	4.5
133.10109	10.5
135.08054	5.8
135.11679	3.5
137.05928	0.9
137.09596	3.4
141.06920	1.7
142.07727	1.7
143.08565	6.8
145.06465	3.5
145.10107	9.9
146.07185	1.1
147.08034	5.2
147.11693	5.4
149.09628	4.4
149.13248	1.2
151.11168	1.9
153.09032	1.3
155.08553	2.7
157.06497	1.2
157.10101	8.1
159.08023	3.2
159.11658	5.4
161.09593	3.4
163.11157	4.2
165.07037	1.1
165.09087	1.1
167.08472	1.4
169.10170	2.8
171.08028	1.7
171.11642	3.3
173.05910	0.9
173.09613	2.3
173.11780	1.1
173.13171	1.6
175.11159	4.3
177.12813	1.6
179.14281	1.5
181.10097	2.1
183.11696	3.2
185.09624	1.8
185.13226	2.1
187.11185	2.3
189.09285	0.9
189.11197	4.9
189.12741	1.5
193.12202	7.8
197.09628	1.3
197.13272	1.5
199.11235	1.3
201.12729	1.8
205.12242	1.9
209.13251	1.1
213.12843	1.1
217.12164	1.2
219.13765	7.5
223.13229	7.6
225.37636	0.7
227.12711	9.1
239.17874	1.1
245.19092	1.5
247.16969	1.2
249.14883	1.9
253.14401	1.7
255.17310	0.9
257.18918	1.0
267.15906	2.7
273.18417	9.3
275.20065	4.6
287.20041	2.7
291.19510	36.0
295.20508	1.0
297.18463	0.9
313.21591	7.7
315.19513	2.2
329.21271	0.9
331.22748	1.2
333.21045	0.9
347.22067	2.1
353.21106	1.1
371.22171	1.0
389.23318	1.6
421.25818	1.0
445.26028	4.9
447.28473	1.8
452.58005	0.9
459.27032	1.8
464.51135	1.0
465.29919	6.5
483.30988	5.6
539.33533	19.0
557.34680	100.0
558.35132	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	557.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.4
58.99882	1.0
61.70990	1.0
69.03448	1.0
71.25063	1.7
82.99860	1.6
87.62376	0.8
89.03922	1.1
97.02861	1.8
98.97562	1.5
101.00861	10.1
105.00334	1.3
109.01400	1.5
109.02847	1.2
110.80141	0.9
113.00874	1.8
116.98576	1.1
117.03321	1.8
117.04067	1.2
119.01906	46.6
121.03492	1.0
124.48709	1.0
127.02425	3.3
129.04004	1.1
131.01898	15.9
133.03410	1.5
135.04436	3.3
137.02953	7.3
139.02425	1.7
141.03979	1.4
142.03442	1.0
143.01892	24.7
145.03481	36.3
147.01436	2.3
147.04356	1.0
147.05092	1.2
149.02908	3.2
153.03928	1.4
155.01900	14.8
157.03439	7.5
159.05013	13.1
160.01840	0.9
161.01404	1.5
161.02950	36.9
163.04019	13.4
167.01855	7.6
169.03447	38.0
171.01413	2.6
171.05016	13.8
173.02950	30.4
175.04503	2.8
177.06062	1.2
179.01878	2.9
181.03416	5.4
183.05020	2.5
184.04553	1.3
185.02943	52.1
187.04506	65.0
189.00789	1.8
189.02434	8.6
189.06120	3.0
191.04051	2.2
193.03578	1.2
197.02943	25.3
199.04533	12.5
201.02425	1.4
201.06030	2.2
203.03961	17.7
205.05588	1.5
207.03448	1.7
209.02989	3.4
210.06061	2.2
211.04538	10.4
213.02429	8.8
213.06079	2.5
215.03969	22.0
220.04530	1.0
221.02927	5.4
221.05052	3.5
223.04541	2.8
225.02444	2.1
227.03957	10.8
229.05574	4.1
231.03491	17.8
233.05116	1.4
235.04675	1.1
237.02693	0.9
239.04060	2.8
243.03479	2.7
245.05054	100.0
246.05515	1.0
255.03545	1.4
257.01419	4.2
257.05157	7.5
257.72406	1.0
263.06076	11.5
271.04276	1.7
271.06693	8.1
273.04523	2.3
275.02530	33.1
275.06128	75.7
276.06525	1.0
286.07700	1.2
287.02502	10.6
287.06134	6.1
293.03549	9.6
293.07166	12.6
297.04636	1.1
299.06158	1.2
305.03549	10.5
305.07181	18.5
315.05646	2.8
316.08737	1.5
317.03616	1.5
317.07205	3.5
323.08148	1.6
333.07016	1.4
335.04572	13.2
335.08289	12.6
341.03757	2.2
349.07553	1.5
359.04523	10.3
359.08224	1.1
365.09268	16.9
377.05389	34.6
385.05783	1.3
385.55945	1.4
386.06509	1.8
395.06625	47.9
413.07562	1.7
426.58963	1.1
437.09109	11.7
449.09186	3.6
455.09558	2.2
467.09943	1.0
521.10010	1.5
539.10638	4.8
557.11658	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	556.5294
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
55.05509	2.2
57.06807	0.7
57.07069	12.3
58.06591	1.3
64.49686	0.5
67.05482	2.6
67.52140	0.5
69.07070	2.8
70.06219	0.8
70.06583	11.2
71.08620	6.1
72.08133	1.9
73.02895	1.4
74.09663	0.5
79.05460	0.6
81.07036	3.7
83.08611	1.5
84.08128	1.3
85.10170	2.8
86.09688	1.8
87.04467	0.8
88.07638	3.1
89.06025	4.0
93.07017	0.8
95.08586	3.0
97.10155	1.4
102.09164	2.1
105.07023	0.7
107.08562	0.5
109.10137	1.0
111.08050	0.5
114.09142	0.5
119.86883	0.5
121.10089	0.6
123.11682	0.5
132.10185	5.6
133.08585	2.0
133.10098	0.5
135.11679	0.9
146.11719	5.2
177.11235	0.7
212.23698	1.5
228.23444	0.5
238.25386	0.9
256.26337	6.8
272.25818	1.2
283.26276	48.3
300.28946	26.1
311.29425	3.1
318.30017	1.9
371.22601	1.4
399.08951	0.5
405.10086	0.5
494.49780	1.1
538.51892	0.7
556.52924	100.0
557.53271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.5
58.99846	1.8
69.03413	2.1
71.80011	1.4
71.80377	1.1
72.59502	1.0
77.00877	1.4
81.03395	1.5
82.99867	3.2
84.04488	5.5
85.02876	4.4
94.99841	1.3
97.02871	2.0
98.97598	2.1
99.04424	1.0
101.00865	18.6
109.01382	1.6
109.02856	1.2
109.39573	1.3
109.86632	1.0
113.00869	3.9
116.98562	1.7
117.03955	3.0
119.01905	66.0
127.02405	7.3
127.03876	2.0
128.98541	1.2
130.05022	6.2
131.01900	24.9
133.03474	2.1
135.04977	2.6
137.02937	10.0
139.02411	1.2
141.03979	2.4
143.01877	34.5
145.03452	62.7
147.01366	3.0
147.04994	3.9
147.07632	6.1
149.02946	4.8
155.01877	23.3
157.03450	9.5
158.99594	1.9
159.05025	21.6
161.02942	52.5
163.04538	17.5
165.05394	1.4
167.01894	9.0
169.03450	46.5
171.01378	4.1
171.05046	15.6
173.02951	45.7
175.04506	5.1
177.06047	2.1
179.01898	3.4
181.03407	8.1
183.04997	3.1
184.04483	1.4
185.02937	66.7
186.03175	1.7
187.04506	100.0
188.04605	1.2
189.02403	16.4
189.06068	3.6
191.03979	4.0
193.03398	1.6
195.05014	1.6
196.04530	2.0
197.02936	25.3
199.04475	18.5
201.02309	1.4
201.06064	4.5
203.03990	24.1
207.03465	4.0
209.02902	2.4
210.06110	3.6
211.04515	17.0
213.02420	16.3
213.06052	3.2
215.00496	2.0
215.03976	15.9
217.05627	1.4
219.01770	1.5
221.02997	1.4
221.04951	5.7
223.04538	5.1
225.02412	6.4
227.03969	11.0
229.05612	6.4
231.03484	33.9
233.01509	1.8
233.05092	1.6
237.02814	2.4
239.03999	2.1
241.01920	1.9
243.03473	5.3
243.07066	1.2
245.05057	98.1
246.05402	1.9
249.04512	1.8
251.02571	2.0
253.05569	1.6
255.03519	2.2
257.01385	7.6
257.05002	7.1
263.06094	15.9
271.06638	17.1
273.04401	3.1
275.02463	60.1
275.06076	38.0
277.25327	1.3
287.02545	22.6
287.06003	4.6
289.07712	2.5
293.03522	21.2
293.07077	6.1
297.04642	1.4
299.02451	1.4
305.03494	22.2
305.07178	16.4
315.05670	6.8
315.08911	1.3
316.05011	1.8
316.08560	1.2
317.03647	2.2
317.07117	1.7
333.06686	3.3
335.04523	28.0
335.08224	8.3
341.03418	4.4
347.08197	1.4
359.04541	21.6
365.09238	14.4
377.05563	58.4
378.05960	2.0
395.06650	96.6
396.06979	1.1
418.06915	1.1
449.08423	1.6
467.08685	1.8
472.97595	1.2
521.09259	1.2
539.10925	12.0
557.11853	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32308	1.0
55.01876	2.2
55.05498	7.7
57.03430	8.2
57.06799	2.2
57.07071	32.5
57.71033	1.2
67.05492	15.8
69.07066	9.5
70.06569	9.1
70.23806	7.4
71.04973	2.1
71.08622	22.7
79.05492	16.0
81.03446	1.5
81.07041	21.3
81.25015	1.2
83.04982	1.6
83.08605	10.0
84.08118	2.1
85.10172	11.8
86.09698	1.5
88.07616	5.6
89.06039	3.9
91.05479	3.3
93.07033	24.3
95.04972	5.2
95.08598	32.9
97.02882	2.4
97.06512	2.1
97.10163	3.7
99.04448	3.4
102.09155	2.4
103.04514	1.3
105.07020	5.6
107.04958	5.3
107.08578	18.8
109.10143	5.2
117.06969	6.6
119.08597	4.2
121.06497	4.8
121.10143	7.3
123.11707	2.7
125.06036	1.6
132.10184	4.6
133.08607	2.6
133.10089	1.9
135.11678	35.1
139.07497	1.7
145.10101	22.4
146.11772	3.4
163.09804	2.3
163.11169	44.1
177.11255	1.4
181.12212	8.9
212.23531	1.2
217.08621	2.1
227.12744	62.6
256.24109	1.4
256.26312	8.2
257.24588	2.2
272.26154	1.6
283.15375	72.1
283.26288	26.7
300.28937	15.3
311.29721	3.1
313.27325	100.0
371.22827	3.3
494.49664	1.6
521.38342	74.9
522.38336	1.5
556.52954	76.7
557.52649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17459	1.3
53.03942	3.4
53.64999	1.3
54.19594	1.2
54.25728	1.2
54.42682	1.3
55.01849	1.5
55.05241	2.0
55.05503	32.8
57.03428	13.3
57.07071	10.2
67.05497	16.5
69.03429	3.6
69.07063	34.7
69.61718	12.8
71.05012	2.0
71.08627	9.0
77.00703	1.4
79.05479	16.8
81.03408	40.2
81.07046	20.2
83.04964	12.0
83.08609	36.9
83.09088	2.6
85.02892	17.5
85.06529	1.6
85.10181	2.9
88.19981	1.3
89.06026	6.0
91.04921	2.5
91.05460	22.1
93.07028	15.1
95.04957	14.7
95.08591	13.2
97.02873	2.2
97.06532	4.1
97.10155	21.4
105.07032	16.2
107.04937	4.9
107.08569	6.2
109.06514	4.0
109.10139	4.0
111.08060	6.8
111.11679	4.8
119.08557	12.8
121.06470	1.3
121.09416	1.5
121.10117	9.4
121.59042	1.2
123.08057	2.6
123.11718	1.7
129.07007	8.1
131.08562	7.1
133.08578	3.6
133.10106	8.7
135.11684	2.7
137.13315	1.4
142.07724	2.6
142.28226	1.3
145.10120	2.6
147.08064	1.5
147.11676	8.3
149.09634	4.7
157.10086	11.0
163.11162	1.4
175.11188	9.1
193.12221	30.7
193.13957	1.6
211.13287	41.0
237.22116	3.6
267.15924	15.4
283.26340	2.4
285.16931	50.3
298.71649	1.4
300.28891	1.7
311.25778	84.3
311.28958	3.4
312.26053	2.3
336.37302	1.6
363.26373	1.5
371.22797	3.6
503.37210	14.7
521.38336	100.0
522.38763	5.8
526.06586	1.6
548.77155	1.5
556.53015	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	556.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01863	1.1
55.05506	7.4
57.03418	3.3
61.02920	1.7
67.05498	11.6
69.03421	4.6
69.07063	10.6
71.04979	4.3
71.30869	2.2
74.23459	0.7
79.05483	7.2
81.03387	2.5
81.07049	36.2
83.04964	2.3
83.08613	7.8
85.02896	29.8
85.06528	5.1
91.03950	1.1
91.05460	9.7
93.07029	12.3
95.08595	51.6
97.02888	7.9
97.06515	9.1
97.10156	5.9
99.04454	2.2
99.08087	7.2
105.07016	13.6
107.08598	6.2
109.02834	1.9
109.06497	2.1
109.10137	3.9
110.09612	0.9
111.08046	2.5
113.09611	3.4
115.07590	2.2
117.07012	0.9
119.08560	21.2
121.10129	8.1
122.81763	0.7
123.08054	4.6
123.25640	0.7
125.09528	1.5
127.03941	5.4
127.07510	1.6
131.08484	0.8
133.10117	15.7
135.11681	12.1
137.09581	1.5
137.13232	12.9
141.09058	1.4
145.04951	11.4
161.13245	70.4
162.13634	1.0
163.05995	4.4
166.08562	1.1
179.14291	100.0
180.08655	1.6
189.60329	0.8
191.94034	0.9
197.15350	73.6
198.15788	1.3
199.26947	0.8
215.16400	32.8
216.16698	1.0
286.41211	0.7
541.81293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.2
53.03935	8.0
55.01865	20.4
55.05506	20.9
57.03425	3.1
57.07059	3.2
62.06087	0.8
65.03923	4.6
67.05496	54.5
69.03403	1.8
69.06689	1.6
69.07060	32.2
71.04975	3.0
71.08628	1.0
71.81013	1.0
73.06573	0.8
77.03883	1.2
79.05482	60.7
81.03402	12.0
81.07045	59.1
83.04968	14.1
83.08605	8.7
85.06531	2.9
85.18594	0.7
91.05469	71.9
93.07032	52.5
95.01320	9.1
95.04958	24.3
95.08593	38.6
97.02857	0.8
97.06518	40.3
97.10159	5.1
98.98456	3.8
99.08106	1.7
103.05486	1.9
105.04513	2.0
105.07017	73.5
107.04939	21.6
107.08578	21.7
109.06506	6.1
109.10149	9.1
111.04448	1.3
111.08063	3.5
113.09636	0.9
115.05440	1.9
116.06289	0.8
117.06996	14.9
119.08564	41.5
121.06488	3.9
121.10124	10.7
123.04418	2.6
123.08051	5.7
123.11707	1.7
125.09604	1.7
127.07603	1.1
128.06207	3.1
129.06975	11.7
130.07799	2.2
131.07640	0.7
131.08549	19.5
132.09361	0.9
133.06497	2.5
133.10115	32.8
135.08095	4.4
135.11650	7.8
136.08519	0.8
137.09598	2.8
137.13185	1.0
139.07524	2.3
141.06961	2.8
142.07660	1.0
143.08562	7.4
145.06508	3.9
145.10101	18.2
147.08063	2.5
147.11670	26.5
149.09590	8.0
149.13269	3.5
151.11189	2.4
155.01041	6.4
155.08563	2.0
157.10127	4.4
159.11696	11.8
161.09647	2.7
161.13258	12.7
163.11159	6.5
165.09128	2.7
165.12750	1.2
169.10149	4.0
170.74323	0.8
171.11684	12.3
173.13231	4.1
175.11205	1.6
175.14844	1.0
177.12785	5.0
179.14282	17.4
183.11682	3.6
185.13211	1.6
187.11113	3.9
187.14799	1.6
189.12711	5.4
195.13794	1.1
197.13272	1.5
205.12297	1.4
207.13727	8.7
211.14812	1.0
215.18054	1.1
219.13815	1.7
219.17393	0.8
225.14825	1.6
229.19528	2.4
239.17944	3.1
241.14305	1.0
241.19417	0.9
243.57336	1.1
247.20653	2.6
257.18869	6.6
259.20520	3.9
263.16269	2.1
275.20032	100.0
276.20453	0.9
279.15927	6.6
281.17773	1.4
293.21091	9.9
298.35947	0.8
313.27264	4.6
331.36102	1.0
349.23764	4.5
377.23038	0.8
481.33337	1.0
500.27438	0.9
537.35669	5.0
543.94531	1.0
555.36755	74.7
556.36426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.3
61.02877	0.2
67.05474	0.3
69.03405	0.2
69.07021	0.2
70.76587	0.1
71.79630	0.3
72.67210	0.2
79.05470	0.2
81.03371	0.6
81.06994	0.5
85.02851	0.5
85.06490	0.1
91.05445	0.2
93.07001	0.3
95.04928	0.4
95.08558	0.2
97.02870	0.3
97.10119	0.2
99.04427	0.2
103.03871	0.2
105.06969	0.2
109.02865	0.3
109.06480	0.3
119.08558	0.3
121.15768	0.2
127.03862	0.7
127.07452	0.2
129.06908	0.2
137.05902	0.2
143.08601	0.2
145.04887	0.3
167.03462	0.2
177.05385	0.3
193.04974	0.2
196.50473	0.2
207.06552	0.2
219.06491	6.0
220.07265	11.5
221.07962	0.2
234.08830	0.5
235.09435	0.2
249.11179	100.0
250.11467	0.7
273.15076	0.2
291.12228	0.2
393.13510	0.2
411.16266	0.2
421.84570	0.2
468.67108	0.2
493.20670	0.7
519.18353	0.3
537.19489	0.5
555.20667	5.8
555.29053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.2
57.07045	0.1
67.05459	0.1
69.03400	0.2
69.07031	0.2
71.79904	0.1
71.80277	0.1
81.03410	0.2
81.07040	0.2
83.43477	0.1
85.02876	0.5
95.08590	0.2
97.02890	0.3
99.04427	0.3
103.03931	0.3
109.02842	0.2
109.10123	0.2
125.18889	0.1
126.10357	0.1
127.03861	0.6
137.05931	0.2
145.04930	0.4
163.06093	0.1
167.03401	0.2
192.04089	0.1
193.04974	0.3
219.04294	0.2
219.06485	6.9
220.07274	12.4
221.08049	0.4
231.10136	0.2
234.08873	0.4
249.11182	100.0
250.11574	0.9
253.10555	0.1
271.08261	0.2
291.12097	0.2
375.21359	0.1
383.51978	0.1
393.22092	0.1
441.97156	0.1
537.19385	0.3
555.20758	1.6
555.28638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.5
55.05504	19.8
57.03433	7.8
57.07066	10.4
57.69030	1.0
62.68582	1.0
67.05492	10.3
68.17255	0.9
69.03406	1.0
69.07055	26.7
71.04978	1.5
71.08614	6.8
73.02911	1.1
79.01264	0.9
79.05476	12.1
81.03401	1.6
81.07050	12.3
83.04970	1.6
83.08610	24.1
83.93610	0.9
85.06481	1.0
85.10156	2.9
89.06009	1.9
91.05471	3.9
91.97571	1.0
93.07035	21.8
95.04947	3.5
95.08591	25.9
97.02878	2.7
97.06503	4.1
97.10151	12.5
98.20746	3.0
99.04453	2.8
105.07006	4.5
107.04932	4.5
107.08583	15.2
109.10124	3.8
111.08030	1.9
111.11699	5.0
117.06984	5.0
119.08565	6.2
121.06490	3.7
121.10132	10.6
125.05985	2.3
131.08545	1.7
133.08545	1.2
133.10138	1.6
135.10635	1.4
135.11673	29.6
138.65622	1.0
139.07515	1.3
139.11182	1.8
145.10101	15.7
147.83371	1.0
149.13216	1.2
161.13242	1.1
163.11165	38.4
181.12209	5.3
182.71922	0.9
227.12746	48.5
237.22037	2.5
283.15378	35.8
311.25772	91.0
312.26157	2.0
327.20142	1.4
339.46793	1.0
519.36761	100.0
520.36743	2.8
533.37299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	35.6
57.03428	0.7
58.80094	0.6
61.02892	0.6
65.03922	0.9
69.03427	1.7
70.06595	0.7
70.63548	2.5
73.02897	1.1
74.97604	0.9
79.05475	1.2
81.03389	1.3
84.96018	4.4
85.02891	4.0
89.03903	10.3
90.04230	0.8
91.05468	4.2
95.04995	1.2
97.02881	1.7
98.97569	14.9
107.04926	3.0
110.97551	1.9
111.04412	1.0
115.00671	0.7
116.98595	13.0
117.03352	7.8
118.03671	0.9
119.04914	6.8
120.05248	1.3
124.33854	0.7
124.99075	3.4
127.03870	1.5
128.98572	3.3
131.00137	1.9
133.01674	1.4
134.99638	9.4
135.04395	20.0
136.04738	2.4
137.05956	0.9
139.03937	0.6
140.98628	1.1
141.02203	2.6
143.00145	20.2
145.01747	1.1
145.02811	12.5
146.03151	1.5
146.99641	2.9
147.04390	25.4
148.04698	4.2
149.01178	2.5
153.00681	1.6
157.01747	2.0
158.99625	5.8
159.03282	6.8
161.01199	37.7
163.03883	100.0
164.04221	13.3
165.04460	1.5
166.01756	1.5
167.00133	2.1
169.01730	3.6
169.03137	0.6
170.99654	2.0
173.01120	1.3
175.00641	1.9
175.02711	3.0
177.00670	8.6
177.04239	1.1
179.02242	6.0
182.04855	0.6
185.01186	18.4
186.99219	4.1
187.02773	6.3
187.04350	1.0
189.00702	6.6
191.02245	1.0
193.01727	4.7
193.03578	0.9
195.01732	1.4
200.98701	1.4
201.00706	4.1
201.04340	0.9
203.02240	16.0
205.00182	4.7
205.03671	1.6
207.01768	1.7
208.02795	1.0
209.01175	3.9
211.02762	8.9
213.00627	5.7
218.99683	4.9
219.01758	9.9
219.05159	0.8
221.03221	4.3
225.00764	1.2
226.03772	0.9
227.02226	2.1
229.03850	3.0
231.01717	8.4
234.04111	0.7
237.00681	29.2
237.02841	9.2
238.01221	0.8
239.02115	0.8
243.01865	0.9
249.02780	9.4
251.02240	1.0
255.01726	48.0
256.02240	0.7
261.02768	3.8
267.03943	2.5
269.03333	1.7
272.04297	0.9
273.02774	61.6
277.99594	0.6
278.03180	3.2
279.03873	2.2
287.02182	2.2
291.00751	0.8
291.03894	3.5
291.06985	0.9
295.04895	1.0
296.04483	2.0
298.08063	1.5
301.03955	0.9
303.03699	1.0
305.03229	1.6
321.04865	2.0
323.04333	6.3
337.06027	1.4
341.05579	1.0
347.04205	3.4
349.02191	1.4
349.06223	1.0
363.05899	2.5
365.05368	5.5
366.04971	0.7
367.03333	2.5
375.04214	2.6
378.07471	0.8
383.06458	2.3
393.04849	10.5
399.05917	1.2
411.05936	49.9
412.06161	1.0
415.08914	2.0
416.09882	0.9
429.07025	78.3
430.07288	1.4
433.10071	2.3
434.07343	4.1
447.08203	1.4
451.09055	6.7
452.08347	3.5
453.07056	12.5
469.10257	5.1
471.08020	2.9
492.11035	0.8
555.09430	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	553.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39986	1.1
52.26150	0.9
55.05493	1.6
57.07058	2.3
60.04512	2.1
67.05495	4.3
69.07059	21.8
71.04986	4.4
71.12067	1.3
71.12402	1.9
79.05476	2.3
81.07048	7.5
83.01340	4.2
83.08579	1.7
87.27386	1.1
89.06013	1.2
91.05426	2.2
93.07024	7.3
95.08612	7.0
99.82626	1.1
105.07010	1.1
107.08581	10.4
109.02921	1.0
109.06509	2.9
109.10148	7.7
119.08598	2.8
121.06484	2.5
121.10135	3.2
123.11700	20.1
127.03930	1.2
127.11176	2.2
131.08549	2.1
133.10081	2.0
135.08052	3.9
135.11688	19.8
137.05942	5.5
147.11688	2.0
149.09619	3.7
149.13232	1.8
153.05457	75.5
153.12709	8.0
159.08043	5.3
162.06715	5.3
163.07542	9.3
165.05466	80.4
165.09161	2.2
167.07002	2.1
169.04948	9.0
176.08330	1.2
177.05490	2.1
177.09084	15.0
179.07040	3.5
181.04968	15.1
187.07506	4.7
189.09103	2.1
191.07074	5.0
191.10724	1.5
192.07796	1.3
193.08607	4.8
203.07097	1.3
205.08591	91.8
211.09653	2.9
219.10149	5.5
221.08278	6.1
221.11691	22.2
223.09627	100.0
224.10089	1.2
231.10060	2.3
233.11548	1.3
235.13187	1.2
237.11192	19.2
239.09087	14.0
243.10213	2.2
245.11839	1.3
257.22592	2.8
261.11121	3.0
269.15427	1.4
275.16415	18.8
275.23605	8.5
287.16400	51.6
288.16650	1.0
291.15854	17.3
293.17410	2.6
305.17432	50.8
307.15372	3.0
327.19586	4.3
343.22610	10.2
345.20590	30.9
361.20068	4.1
361.23935	2.1
363.21631	96.9
364.21762	2.1
375.21625	24.6
413.26776	3.8
427.28348	3.8
431.27991	19.3
553.50415	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	553.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33519	2.2
59.63144	1.8
67.05492	4.1
69.07062	23.0
70.93423	3.9
70.93758	3.3
71.04974	4.9
72.80140	2.1
81.07027	7.3
83.01321	6.6
89.45714	2.4
91.05439	3.3
93.07034	7.2
95.08582	8.4
103.49199	2.0
107.08573	12.5
109.10128	7.7
115.90735	1.9
119.08605	2.3
121.06496	3.9
121.10095	6.1
123.11692	22.7
125.05930	2.2
127.03904	2.9
127.11136	2.3
133.10100	2.9
135.08018	8.0
135.11667	16.5
137.05981	4.3
139.03810	2.2
143.05409	2.6
149.09610	4.3
153.05449	71.2
153.12720	7.0
159.08040	4.8
162.06718	5.6
163.07518	10.4
165.05458	100.0
165.09155	2.7
169.04982	6.0
177.05435	2.6
177.09090	22.9
179.07072	2.9
181.04939	18.7
187.07506	6.1
187.23259	2.1
191.06978	6.9
193.08574	2.8
203.07095	2.4
205.08574	94.7
211.09529	2.6
219.10114	4.6
221.08035	7.8
221.11699	20.5
223.09628	98.5
237.11171	18.8
239.09111	13.1
243.10245	2.6
246.12247	2.4
261.11301	3.8
275.13837	2.5
275.16431	17.0
275.23682	4.9
287.16382	52.5
291.15973	13.7
304.00742	2.3
305.17432	53.3
327.19562	3.2
343.22693	9.1
345.20593	30.7
363.21606	70.1
375.21600	22.1
413.26880	3.9
431.27975	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	553.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
55.05489	3.4
55.89299	1.1
57.03417	3.6
57.07069	2.3
59.04991	2.7
61.02921	40.4
67.05498	7.5
69.03429	8.7
69.07055	7.0
70.06563	1.6
71.04966	4.2
71.37137	3.7
73.02907	18.7
79.05508	2.6
81.03384	2.6
81.07043	13.7
83.04965	3.6
83.08607	5.1
85.02897	62.5
85.06529	3.9
91.03942	50.9
91.05489	2.8
93.07032	10.6
95.04956	3.0
95.08590	22.5
96.13469	1.4
97.02881	28.1
97.06515	2.4
99.04456	3.7
103.03888	2.3
105.07038	8.2
107.08579	10.7
109.02856	2.9
109.06477	3.9
109.10148	19.9
111.08074	3.5
115.03929	3.4
119.08560	21.4
120.61861	1.4
121.10120	4.5
123.08054	5.6
123.11700	17.8
125.09618	2.6
126.70460	1.3
127.03899	32.9
129.91429	1.2
131.04942	1.6
133.10127	8.1
135.11668	18.8
137.05994	2.2
137.09608	6.5
138.83708	1.2
143.19550	1.3
145.04939	36.6
147.11655	1.9
149.13261	7.0
151.11128	1.6
151.14812	5.0
153.12726	2.0
155.10654	3.0
163.06009	81.2
175.14815	27.9
178.76260	1.2
182.18997	2.1
193.15868	39.3
200.70605	1.2
204.08746	1.3
211.16904	100.0
229.17960	22.2
245.04372	1.7
305.06033	1.6
321.51508	1.4
325.11121	4.8
392.17249	1.6
553.43042	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	553.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01828	1.9
55.05499	12.4
56.05815	1.0
57.03405	1.6
57.07042	0.8
59.50845	0.6
61.02877	1.7
65.39063	0.6
67.05496	9.6
69.03416	2.8
69.07050	6.7
70.06540	1.8
70.06921	0.6
71.04939	2.6
71.79034	1.0
73.02879	1.3
79.05479	4.9
80.45800	0.7
81.03371	2.0
81.07043	33.0
82.06554	1.9
83.04961	3.7
83.08199	0.6
83.08607	9.3
84.08121	1.2
84.08904	1.0
85.02889	19.4
85.06493	2.4
91.03884	1.1
91.04955	0.6
91.05460	9.0
93.07019	4.1
95.04916	1.2
95.08094	0.6
95.08584	6.2
97.02869	4.3
97.06470	2.3
98.09654	1.0
98.68817	0.6
99.04425	0.9
99.08047	2.0
100.07556	2.6
100.11238	38.7
101.05975	1.1
101.07933	0.7
101.11032	0.7
101.11568	7.1
103.05448	0.6
105.06361	1.2
105.07007	15.7
107.04845	0.9
107.07931	0.6
107.08588	6.3
109.02827	2.1
109.06501	3.3
109.10119	0.6
109.15211	0.6
110.06013	1.1
111.04420	6.3
111.08108	0.8
112.07578	0.7
113.05998	0.9
117.06908	0.7
117.13803	1.0
119.07769	0.8
119.08566	12.9
121.09296	0.9
121.10121	15.7
123.08019	2.6
123.11684	19.8
126.09116	1.6
127.03893	4.1
127.07487	2.1
128.07028	2.4
129.05371	0.8
131.04906	0.9
131.08522	0.8
133.10118	2.9
137.05919	2.5
137.13211	1.4
139.08598	0.8
140.07001	1.7
141.09053	1.4
145.03864	0.7
145.04936	7.9
145.10075	0.9
147.11659	53.4
157.10092	1.2
161.05890	1.3
163.05981	2.6
163.07352	0.7
165.12732	32.8
167.06984	1.7
175.11147	2.1
176.78737	0.6
182.15375	13.0
183.13760	10.3
183.15659	2.7
192.13896	0.9
193.12225	4.5
193.13867	0.9
209.16451	7.1
210.14894	14.1
210.16812	2.0
211.13242	6.0
211.15190	4.9
226.19122	1.7
227.17596	1.4
229.14314	100.0
230.14597	1.1
244.03737	0.7
245.04393	1.7
259.06046	2.7
260.77234	0.6
271.70224	0.7
287.05399	2.7
325.10950	0.8
326.28033	1.9
327.28299	1.2
340.19061	0.6
343.30576	1.6
344.30988	1.2
373.19867	0.6
373.99780	0.7
381.13315	1.0
391.09564	0.7
391.20999	0.8
421.11316	1.2
534.43909	0.7
535.43909	0.8
542.75983	0.6
552.44769	30.1
553.45111	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.7
55.54462	4.2
57.07073	40.8
67.05480	4.1
69.03434	5.1
69.07044	7.0
69.88530	25.4
72.34179	4.0
74.09694	8.9
81.07025	10.2
82.49451	3.8
85.06520	3.9
91.05492	6.2
91.38048	4.0
93.07012	4.6
93.95918	4.4
95.08560	5.7
105.07021	30.3
107.08559	9.2
114.38535	3.9
119.08532	8.9
121.10145	9.3
128.06111	4.2
131.08578	5.4
131.96268	4.1
135.08107	5.2
143.08487	4.4
145.10100	13.4
147.11650	15.2
153.09055	6.5
157.10025	4.8
173.09584	32.9
175.11162	45.0
185.13274	6.6
191.10617	10.3
195.11685	12.7
197.13263	13.5
199.09583	11.9
213.10927	5.6
213.12738	15.3
223.11296	6.1
241.12282	9.4
249.14841	14.8
259.09412	5.1
259.13135	4.5
269.11789	5.6
273.14853	22.5
281.18906	7.9
291.15903	8.0
297.18564	6.9
299.19742	3.9
301.14252	12.5
309.18423	9.9
311.19724	5.5
337.17798	11.6
341.20837	8.3
355.18991	16.6
357.20319	21.7
373.19949	14.7
385.19946	14.1
403.21048	62.2
421.22125	100.0
435.24323	5.2
439.24631	6.0
457.25946	7.4
520.32623	5.2
552.35883	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	552.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34703	1.6
57.07069	35.1
67.05486	2.2
68.22456	2.2
69.03410	3.4
69.81683	3.7
69.82095	11.1
81.07044	2.3
85.06541	6.9
93.07024	2.9
95.08615	4.7
98.20693	3.6
100.95848	2.3
105.03369	3.1
105.07007	14.0
107.08554	2.8
119.08580	5.8
121.10135	3.3
131.08549	3.5
133.10046	2.5
134.96642	2.0
135.08008	2.4
137.09644	1.8
143.08551	3.2
145.10141	10.1
147.11670	9.5
153.05467	1.9
153.09027	2.7
157.10143	2.2
169.10049	2.2
171.08073	2.4
171.11684	2.4
173.09607	14.3
175.11159	15.4
185.13258	6.7
191.10683	8.7
195.11635	8.7
195.23642	2.0
197.13239	8.6
199.09676	5.6
209.16418	1.9
211.11165	1.8
213.11003	3.9
213.12794	15.2
215.14188	2.2
215.42810	1.8
223.11198	4.2
225.16220	1.9
231.13882	3.3
241.12122	11.9
249.14920	6.3
253.19539	4.2
255.13808	4.4
259.09711	5.6
259.13132	3.0
269.11801	4.1
273.14825	17.3
281.19000	5.4
291.15927	7.4
297.18634	2.1
301.14374	9.6
307.16956	2.5
309.18488	5.0
319.15381	4.5
325.18015	5.4
337.17166	2.9
339.19727	3.5
341.21130	11.5
355.18845	5.1
357.20465	15.6
359.21796	2.7
373.20062	3.1
385.20126	18.7
389.19397	3.3
403.21097	52.2
421.22134	100.0
422.22598	2.3
439.24838	3.5
457.25677	5.9
488.12695	1.9
552.34869	4.7
562.57947	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	47.9
81.07079	4.7
85.06549	8.2
87.99565	4.7
95.08583	9.2
96.62741	3.8
98.21474	10.8
100.90692	3.5
105.07009	28.9
107.08591	10.6
119.08611	10.4
121.10159	6.5
143.08583	6.0
145.10110	18.9
147.11668	10.7
157.10098	8.4
171.07993	6.0
171.11658	5.2
173.09595	39.2
175.11145	37.3
191.10631	14.4
195.11726	10.7
197.13167	10.5
199.09654	9.4
213.12807	14.8
241.12273	14.0
249.14880	18.9
253.19557	4.5
255.13951	5.5
269.11911	5.4
273.14850	23.9
281.19028	11.1
291.15967	13.0
301.14291	12.2
309.18558	9.3
311.19791	5.8
341.21216	7.4
355.19049	17.3
357.20596	20.8
373.20120	13.4
385.20157	18.5
403.21161	56.1
421.16791	7.1
421.22165	100.0
456.89420	4.3
457.25681	6.6
520.33173	5.7
552.35370	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	552.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93973	0.3
69.03404	0.3
69.07011	0.3
71.81490	0.3
72.55843	0.3
79.05444	0.4
80.04964	0.3
81.05705	0.3
81.18507	0.3
85.02861	0.5
91.05418	1.0
93.07034	1.5
94.06536	1.7
95.04905	0.3
95.07291	1.1
95.08554	0.5
96.08115	3.2
97.02828	1.1
97.06490	0.4
100.11199	0.4
103.05434	0.4
105.06980	0.4
108.08102	3.1
110.09675	4.4
119.08506	0.4
120.04465	2.4
120.08099	4.2
122.05996	0.7
122.09623	0.3
124.07543	0.7
125.66621	0.3
131.04959	0.3
132.08037	0.4
135.06743	0.3
136.07553	2.3
137.05898	0.8
138.09126	7.6
139.03844	0.7
146.05988	0.5
148.07541	1.3
150.09106	0.7
152.07011	1.2
152.10680	0.5
161.05919	0.3
164.07008	0.6
166.07315	0.4
166.08624	7.0
166.15831	0.3
176.10728	0.5
176.41936	0.3
180.10210	0.4
182.11740	0.6
194.08095	1.1
194.47806	0.3
196.09743	0.3
197.10667	0.5
198.11583	0.3
199.12218	0.4
209.10739	0.4
211.08644	0.4
211.12335	0.6
212.09404	0.7
213.10110	0.7
223.08575	0.8
223.12263	1.2
224.09351	0.7
224.12770	0.4
225.10222	2.3
227.11722	0.9
233.10741	0.5
235.08604	1.0
236.09380	0.8
237.10205	5.9
238.10844	1.3
239.08078	1.0
239.11737	2.8
241.09627	0.5
245.12862	0.5
247.08601	0.4
248.09340	1.1
249.10213	3.9
250.11055	2.3
251.08105	2.8
251.11771	5.1
252.08809	0.7
252.12465	1.2
252.14964	0.3
253.09689	3.7
254.10541	0.3
255.11285	0.8
259.05927	1.6
261.10236	2.6
262.11023	0.6
263.08057	0.5
263.11716	3.1
264.08942	0.5
264.12259	0.3
265.09723	7.9
265.12646	0.6
266.10339	1.3
266.13461	0.2
267.11319	4.4
267.14355	0.4
268.11896	0.5
269.09119	0.8
269.12790	0.5
271.10727	1.7
276.08783	0.3
277.09680	2.1
278.06647	0.6
278.10419	3.0
279.07626	2.9
279.11218	7.9
280.08194	0.3
280.11954	1.9
281.09155	2.1
281.12756	1.8
282.09885	0.8
283.10779	5.6
283.13986	0.4
284.11270	0.4
285.12332	0.8
287.13998	1.4
289.09689	3.6
290.10190	0.8
291.11252	1.5
292.08389	0.4
293.09100	1.2
293.12781	3.3
294.09988	4.3
294.13272	0.5
295.10724	3.8
295.13962	0.6
296.11520	2.4
297.08832	0.5
297.12195	1.1
298.09515	0.6
299.10275	1.4
306.09677	1.4
307.10788	1.4
308.11496	0.7
309.08884	0.4
309.12271	1.8
310.13058	0.5
311.10226	5.2
311.13861	1.6
312.10941	2.7
313.11716	1.4
314.12540	1.2
317.09204	0.7
321.12427	0.7
323.10098	1.0
323.13843	1.0
324.11066	1.0
325.11862	1.4
326.12564	4.6
327.13318	7.1
328.13980	0.4
335.10229	7.5
336.11087	0.4
337.11761	1.0
339.13361	45.1
340.10208	1.7
340.14099	1.3
349.11530	0.3
352.10358	1.0
353.11221	0.9
354.12048	4.0
355.12836	12.6
355.17245	0.6
356.13364	0.3
367.12866	27.0
368.13153	0.5
371.12225	0.5
386.14774	0.7
387.15494	0.6
399.15292	0.6
436.18503	0.5
451.20920	1.1
460.18652	1.2
461.19577	0.3
464.18143	0.3
479.20444	1.7
488.18161	10.8
489.18414	0.4
492.21393	3.7
520.20758	100.0
521.21088	3.5
538.21735	1.4
552.23389	10.0
552.45233	0.5
553.23273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14793	0.8
53.03931	1.9
53.81992	0.7
55.01865	1.6
55.05505	12.1
57.03420	3.6
57.06798	1.6
57.07066	26.8
65.03939	1.0
67.05493	20.6
69.03403	1.6
69.07063	8.1
69.57381	8.1
69.57801	2.0
71.04967	2.8
71.08621	18.6
79.05483	12.0
81.03403	30.1
81.07045	25.2
83.04960	5.3
83.08608	16.1
85.02898	15.1
85.06558	1.4
85.10162	9.6
91.05470	14.7
92.05847	0.9
93.07021	8.7
95.04951	10.2
95.08589	18.7
97.02844	1.0
97.06520	2.1
97.10156	7.6
103.05452	1.0
105.07011	11.5
107.04924	1.9
107.08598	4.2
109.06499	3.0
109.10149	8.1
111.04478	1.4
111.08066	4.9
111.11740	2.1
119.08569	8.8
121.09391	0.9
121.10105	5.6
123.08035	1.1
123.11707	4.2
125.09680	0.9
129.07004	4.7
131.08543	4.9
133.06444	1.2
133.10110	4.0
137.09642	0.8
137.13261	1.2
145.10181	1.3
147.07974	1.2
147.11647	6.5
149.09604	3.0
157.10089	5.9
165.12735	2.0
175.11139	6.4
193.12218	24.1
211.13263	32.6
249.15036	1.4
267.15970	6.6
267.26810	3.5
341.30405	6.9
479.60953	0.9
533.42017	2.9
551.43024	100.0
552.43719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.8
53.03915	4.5
55.05499	12.5
57.07062	9.8
59.04993	1.9
59.23676	1.5
65.03931	3.2
65.58077	1.7
67.05499	25.7
69.07063	20.4
71.08616	2.1
79.05483	17.3
81.07051	39.7
83.04957	1.9
83.08615	9.9
91.05464	34.1
91.29187	1.5
93.06432	2.6
93.07033	49.8
95.04952	6.3
95.08600	44.8
97.10171	1.8
98.21452	3.5
99.53306	1.7
103.05434	3.4
105.07021	64.5
107.08580	59.1
109.06474	3.5
109.10146	45.4
115.05406	3.9
117.06995	14.7
119.08570	100.0
121.10139	49.3
123.08076	3.5
123.11695	13.8
125.82065	1.6
128.06230	5.8
129.07002	8.3
130.07761	7.3
131.07634	2.7
131.08557	31.4
133.10118	57.8
133.11136	3.0
135.11671	40.3
137.09593	4.0
139.11180	2.6
141.06967	5.1
142.07768	11.1
143.08553	20.2
144.09308	5.2
145.10115	63.6
146.10822	1.7
147.11676	23.3
149.09644	3.3
149.13237	7.0
153.06975	2.0
154.07796	2.3
155.08549	9.4
156.09354	8.0
157.10112	34.9
158.10912	4.9
159.11681	38.5
161.13275	12.5
163.14902	2.0
166.07814	1.8
167.08545	3.6
168.09355	4.4
169.10120	15.4
170.10909	6.8
171.11676	23.3
172.12463	3.1
173.13234	24.7
175.14801	37.7
177.16325	2.9
179.08553	5.9
180.09312	2.6
181.10158	6.2
182.10860	6.4
183.11681	12.6
184.12050	2.0
185.13219	13.3
187.14807	15.0
189.16391	2.9
193.10114	6.4
193.15852	2.5
194.10892	6.6
195.11649	9.6
196.12486	4.7
197.13257	20.3
198.14177	2.6
199.14835	11.2
201.16321	13.9
203.18004	2.0
205.15886	1.7
206.10925	3.2
207.11694	7.6
208.12425	1.8
209.13208	13.4
210.13907	2.3
211.14850	12.9
212.58229	1.7
213.16364	6.1
215.17943	3.0
219.11707	3.4
219.17375	4.6
221.13159	5.8
223.14882	10.5
224.15614	1.7
225.16412	6.2
231.11708	2.6
233.13290	2.3
234.14034	2.1
235.14775	5.8
237.16391	6.3
239.17905	5.2
241.19493	4.1
245.13348	2.8
246.13983	2.1
247.14825	5.2
249.16270	3.7
250.51109	1.7
251.17947	2.6
253.19455	2.9
257.18954	2.3
259.20450	2.1
263.17868	2.8
265.19565	4.7
267.21088	3.7
271.20471	1.9
275.18106	2.2
283.20642	3.3
285.22025	2.9
289.19577	2.2
291.21136	2.2
319.24487	2.1
327.07837	2.7
337.25296	3.4
343.24103	2.0
411.30347	2.7
429.31741	2.8
451.33173	1.8
495.26678	2.8
533.41016	5.1
551.42560	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4244
Annotation	Anhydrolutein I
Peak:m/z	Relative Intensity
51.14380	1.1
53.03936	3.2
55.05510	12.1
57.07067	9.3
59.04990	2.1
60.39717	1.2
65.03927	2.3
67.05505	21.8
69.07068	16.7
70.92051	3.6
77.43321	1.1
79.05488	21.4
81.07050	39.4
83.08627	9.1
85.06557	2.0
91.05472	36.4
93.07037	51.2
95.04969	6.5
95.08598	42.0
96.44270	1.1
97.10168	2.4
103.05479	3.3
105.07022	60.6
107.08584	58.4
109.06494	2.4
109.10149	46.0
115.05471	3.4
117.06998	15.4
119.08573	100.0
119.80610	1.2
121.10136	49.4
123.08060	1.9
123.11702	17.4
125.09662	1.5
128.06216	5.7
129.07005	10.4
130.07791	4.8
131.08560	28.8
133.10118	55.2
135.11676	39.3
137.09637	3.8
139.11177	2.5
141.07025	5.5
142.07780	10.9
143.08546	22.4
144.09343	7.9
145.10114	63.9
146.10994	1.4
147.08040	1.2
147.11684	16.7
149.09682	4.1
149.13257	7.2
151.14842	1.3
155.08527	10.2
156.09328	9.8
157.10121	40.0
158.10898	4.9
159.11694	31.7
159.12952	1.9
160.12471	1.3
161.13240	14.1
161.14333	1.5
163.11235	3.3
163.14825	1.9
165.07065	3.5
166.07721	1.8
167.08615	3.9
168.09409	3.4
169.10127	18.1
170.10919	5.4
171.11697	21.6
172.12372	2.2
173.13272	28.5
175.14813	45.7
179.08580	3.6
180.09320	2.6
181.10132	5.9
182.10881	6.0
183.11682	15.5
184.12460	2.1
185.13246	14.9
186.13988	2.0
187.14830	19.6
189.16431	3.8
192.09396	2.2
193.10114	7.2
193.15997	2.1
194.10907	5.7
195.11655	10.0
196.12506	4.9
197.13246	20.2
198.14029	3.1
199.14818	11.2
201.16324	16.0
201.17827	1.2
203.14355	1.5
203.18095	2.6
205.15939	3.0
206.11002	2.6
207.11690	6.4
208.12512	3.3
209.13234	16.2
210.13977	1.6
211.14760	12.6
213.16399	7.3
215.14307	1.7
216.65439	1.2
217.10216	1.4
217.15933	1.5
219.11740	2.5
219.17497	4.1
221.13290	6.6
222.13924	1.8
223.14816	12.7
224.15559	1.8
225.16428	7.2
227.17993	3.3
231.17288	1.4
233.13396	2.3
234.13947	1.5
235.14861	5.1
237.16429	4.0
239.18015	4.2
241.19594	4.6
245.13284	1.4
247.14784	4.0
249.16420	5.0
250.17220	2.0
251.18037	3.8
253.19650	6.1
257.19189	3.3
259.20685	2.1
261.16504	2.2
263.17993	4.1
265.19473	5.6
267.21091	7.0
271.20410	1.9
273.16388	2.0
275.18124	3.2
277.19489	2.7
279.21237	3.3
283.20615	3.0
285.22083	2.7
289.19577	2.6
291.21118	1.7
295.20563	1.3
297.22125	1.4
299.17868	1.4
303.21198	1.8
309.22299	1.6
317.22672	1.5
319.24472	2.4
331.24078	1.8
333.25739	2.5
337.25482	1.8
345.25790	3.7
349.24997	1.3
359.27408	1.5
397.28448	1.4
398.29922	1.3
399.29913	1.7
429.31503	3.7
459.35941	4.7
471.36401	2.2
472.36917	1.3
495.36304	3.3
533.41901	5.5
551.42505	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05835	0.6
51.02383	0.7
55.01862	2.8
61.76311	0.5
64.23582	0.5
69.03419	1.2
71.04957	0.6
71.81660	1.1
76.82104	0.6
79.05480	6.3
85.02881	1.5
91.05483	3.4
91.05964	0.6
95.04965	2.5
102.04712	0.7
103.05457	19.1
105.07017	63.9
107.04956	0.7
115.05439	12.9
118.04151	8.4
118.06926	0.6
119.04901	1.8
123.04386	0.7
130.04112	0.9
131.04921	12.5
132.05705	1.4
133.02870	1.2
133.06474	59.8
137.05943	2.8
143.04922	1.2
143.06041	3.6
145.04881	0.8
145.06425	0.7
147.04422	2.6
148.05177	6.8
149.05989	0.7
161.05962	100.0
162.06296	0.6
163.07521	11.5
167.07031	1.1
173.05905	1.2
176.04645	1.1
179.07018	1.0
191.07011	66.2
192.07433	0.9
193.08580	40.1
198.55058	0.6
227.16414	0.9
244.46719	0.6
326.51086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1027
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03938	1.4
55.01865	1.9
55.57963	0.2
57.03434	1.0
59.50325	0.2
61.02917	0.9
65.03938	0.2
67.78947	0.2
68.99774	1.3
69.03043	0.3
69.03419	6.4
69.85036	0.5
69.85469	0.8
71.04980	0.9
73.02913	1.6
79.42548	0.2
81.03407	7.3
83.01311	0.3
85.02893	10.4
87.00819	5.1
91.03928	0.5
93.03367	0.2
95.04947	0.4
96.58350	0.2
97.02882	4.5
98.20621	0.2
99.04436	2.5
103.03919	0.2
105.01850	2.8
109.02863	6.0
111.00779	0.7
112.61743	0.2
115.03901	0.2
117.01839	1.1
121.02838	0.8
122.97243	0.2
123.04414	0.4
125.60017	0.2
127.03899	9.8
129.01810	0.9
137.02315	2.7
137.05873	0.2
145.04939	3.5
147.02843	0.6
149.02339	0.4
153.01794	3.6
159.02866	4.8
161.05927	0.4
163.03894	0.5
165.01801	1.8
167.06993	0.3
173.05956	0.3
177.03943	0.3
177.05473	0.2
183.02834	0.7
183.04308	0.3
185.07846	0.2
195.02869	0.4
201.05450	1.7
213.03813	0.4
229.04942	3.7
231.04982	1.7
245.04498	0.2
247.06007	0.7
257.04413	2.3
274.04700	0.7
285.03915	1.1
303.04950	100.0
304.05225	0.9
345.06119	0.5
531.83447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.09533	0.8
55.01857	0.9
55.05515	3.8
57.07067	4.2
65.20828	0.7
67.05506	9.2
69.03410	1.3
69.07063	11.7
71.04971	2.2
71.08614	1.3
71.81313	1.0
79.05486	10.0
81.07049	65.9
83.01314	3.9
83.08591	2.9
85.06491	0.7
85.10153	0.9
91.05476	7.0
93.07043	10.3
95.04930	1.7
95.08597	21.0
97.10145	2.3
105.07011	12.3
107.08577	7.7
109.06469	1.6
109.10148	9.6
117.06999	1.2
119.07756	1.2
119.08569	13.8
121.06487	4.2
121.10117	7.2
123.08051	0.8
123.11716	5.7
129.07036	0.9
131.08543	4.4
133.10100	7.3
135.08031	5.2
135.11665	3.8
137.09630	1.0
137.13255	5.2
145.10088	3.1
147.08046	0.7
147.10585	1.3
147.11678	16.4
149.09573	2.8
149.13231	1.6
151.07619	0.9
153.05446	2.7
157.10074	1.0
159.08051	4.4
159.11678	2.9
161.05907	1.0
161.13205	2.7
162.06718	4.1
163.07521	7.9
165.05455	13.6
167.07010	5.8
175.07582	0.9
175.14813	1.0
177.09094	14.2
179.10162	0.7
185.43269	0.8
187.07524	5.1
191.07007	0.9
191.18008	1.0
201.16304	2.3
203.07004	3.3
203.17938	13.0
204.18210	1.4
205.08583	70.3
206.08960	1.5
215.17766	0.7
219.10127	1.1
221.08060	1.7
223.09627	100.0
224.09991	2.3
229.08627	0.8
277.14398	1.0
289.17892	2.5
329.17438	2.1
345.20621	4.8
347.22040	5.9
355.22708	10.1
359.22089	1.2
385.14807	0.8
413.26804	30.8
425.26740	6.3
531.37964	1.6
549.26788	2.7
549.40613	7.0
549.48950	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	549.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.5
55.05494	1.4
57.07050	1.6
67.05501	3.6
69.03414	1.6
69.07058	9.9
71.04977	4.2
71.09171	0.9
71.09510	1.6
79.05487	3.1
81.03414	1.1
81.07050	4.1
83.08621	1.1
85.06519	6.7
88.41472	0.7
91.05470	3.8
93.07034	5.0
95.04953	3.9
95.08577	2.8
97.06520	5.3
99.04443	2.5
105.07011	2.4
107.04940	2.3
107.08583	1.9
109.06503	4.0
109.10172	0.8
111.04436	0.9
111.08096	0.7
115.05420	0.6
117.07016	1.0
119.08591	1.7
121.06487	3.7
121.10098	1.0
123.04419	4.3
123.08054	1.9
129.07027	0.7
131.04936	0.9
131.08533	2.7
133.06454	1.7
133.10062	1.4
135.04395	2.3
135.08052	1.7
137.02333	2.4
137.05940	0.7
137.09583	4.6
143.08517	0.7
145.10133	2.0
147.04362	2.0
147.08034	1.6
147.88226	0.7
149.05946	4.5
149.09602	2.7
151.03879	0.7
151.07440	1.1
153.05438	1.4
155.08582	0.8
159.04401	0.7
159.08034	3.5
159.11638	0.9
161.05939	2.5
161.09570	1.2
163.03865	4.2
163.07521	2.1
163.11157	1.1
164.65459	0.7
165.05467	2.7
165.09149	1.6
167.06981	1.2
169.10129	0.8
173.05980	1.5
173.09554	3.5
175.07561	1.8
175.11171	1.0
177.05469	7.2
177.09091	3.1
179.03476	0.9
185.06081	0.9
185.09615	0.9
187.07571	2.5
187.11305	1.2
189.05440	3.2
189.09148	1.1
191.03374	13.2
191.07047	2.5
191.10638	4.1
193.08540	0.8
195.06506	16.4
197.09578	1.2
199.07497	1.3
199.11089	1.2
201.05347	0.8
201.09062	9.5
201.12772	2.8
203.07011	5.7
205.08583	11.4
209.09656	0.8
213.08786	1.1
215.10738	1.6
217.08607	3.0
219.06711	0.9
219.10121	15.2
219.12135	1.0
221.08055	1.0
225.09097	1.7
227.10596	1.1
229.08609	6.5
229.12286	0.9
231.10172	1.8
231.13776	0.8
233.07928	1.0
233.11638	1.2
235.09651	1.6
239.07254	0.8
241.08604	2.3
243.10114	5.9
243.13832	1.4
245.11732	1.4
247.09633	19.0
253.12323	1.8
255.10106	1.6
257.11710	0.9
259.09540	1.4
261.11179	25.7
265.10684	15.9
271.10324	1.3
271.13272	8.1
273.11203	2.3
275.12744	1.4
283.13394	1.2
285.14810	2.2
287.12738	0.9
289.14288	8.5
293.13953	1.1
295.13168	1.8
297.14761	0.8
301.07083	3.5
301.14340	1.1
313.14316	14.7
317.13800	1.5
327.15848	1.2
331.15347	26.2
337.16348	1.0
343.08185	1.1
349.16428	100.0
353.17493	1.3
357.17026	1.1
361.20117	1.8
370.17783	0.8
371.18423	2.7
382.17310	0.8
388.18884	0.8
389.19504	1.3
393.19055	1.8
421.12799	1.7
425.90744	0.7
429.22653	15.4
439.13614	0.8
445.22015	1.7
461.25476	2.0
463.23233	73.5
464.23871	1.1
481.24295	2.2
497.28592	1.6
531.29553	3.7
549.22528	0.8
549.30682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3992
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03941	4.1
55.05508	17.6
57.03421	5.1
57.07063	7.2
67.05502	46.0
67.79575	1.9
69.07053	24.3
69.71582	18.5
71.04977	3.9
71.08607	3.2
79.05486	29.5
81.07046	54.1
82.28182	2.0
83.04980	3.8
83.08604	9.7
91.05474	26.2
93.07030	37.8
95.04987	4.7
95.08604	36.5
96.08945	2.4
97.06513	2.4
97.10176	4.8
105.07012	27.1
107.08583	22.8
109.06509	2.3
109.10149	20.1
113.09628	2.6
117.06982	9.9
119.08568	28.3
121.06527	3.2
121.10113	21.0
123.11687	7.4
129.06995	6.3
131.06789	2.2
131.08559	19.7
133.10133	18.7
135.08080	4.9
135.11674	10.5
137.05920	2.4
137.09546	2.6
143.08540	8.3
145.10103	16.3
147.11629	15.8
149.09679	2.8
149.13232	7.0
151.11165	2.7
155.08540	4.0
157.10132	7.1
157.99551	2.2
159.11687	11.0
161.13283	7.8
163.11145	5.1
165.05432	31.2
169.10115	5.2
171.11676	4.8
173.09650	3.0
173.13274	5.8
175.14856	5.9
177.09029	3.0
177.12831	2.2
181.10092	3.7
183.11638	2.8
185.13222	6.2
187.14832	5.0
189.16562	2.8
191.10651	3.1
195.11607	3.3
197.13255	2.9
199.14825	3.9
201.16393	4.9
203.17897	5.2
205.08525	5.5
209.13303	3.2
213.16330	2.3
219.10132	16.6
221.11676	12.4
223.09651	8.3
227.12767	3.0
227.17877	3.1
237.11136	19.2
245.11702	5.8
261.22192	3.5
269.17444	4.8
285.22095	2.4
303.15881	6.1
305.17380	3.5
317.17593	4.1
335.25800	6.7
339.19418	2.7
345.20566	3.5
357.20554	6.1
359.22226	3.2
419.32666	3.8
427.35764	4.3
437.34000	12.3
455.35025	16.0
473.36279	17.1
503.37161	4.9
510.80051	2.9
511.37460	7.3
519.39984	3.2
529.38806	100.0
530.39099	5.8
547.27112	4.0
547.39844	48.8
548.39429	2.4
560.39960	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.5
55.01875	5.7
55.05505	46.9
57.03426	16.6
57.07067	10.7
65.03944	4.2
67.05495	81.3
69.03437	5.4
69.07056	35.3
71.04987	5.0
71.08633	3.8
71.81750	2.6
72.04504	59.0
73.04858	6.9
74.72344	2.0
79.05488	44.5
81.03403	67.7
81.07043	83.0
83.04980	8.2
83.08608	34.8
85.06548	3.7
91.05468	38.0
93.06440	3.1
93.07030	47.5
95.04955	42.9
95.08593	59.4
97.06535	9.5
97.10152	22.5
99.08115	2.6
105.07018	35.4
105.79216	2.2
107.04957	11.9
107.08579	31.3
109.06521	8.5
109.10134	38.6
110.10576	2.0
111.08076	8.3
111.11717	3.3
117.07014	7.4
119.04957	5.8
119.08565	37.2
121.06490	10.7
121.10111	22.1
123.08062	7.4
123.11646	12.6
125.09616	8.1
129.07021	8.3
131.08553	18.2
133.06456	2.8
133.10094	17.1
135.08063	6.1
135.11639	12.1
137.13255	4.2
139.11208	2.5
143.08545	4.3
143.76753	2.2
145.10129	15.6
147.08092	5.1
147.11644	16.4
149.09624	8.2
149.13287	7.0
157.10146	9.3
159.11728	7.7
161.01064	2.4
161.13260	9.1
163.11165	10.5
163.14819	7.5
165.05464	4.8
165.12802	3.1
166.08643	2.5
168.46466	2.0
169.10194	2.9
171.11710	3.6
173.13248	3.8
175.11115	10.5
177.12784	6.1
177.16393	4.7
177.90665	2.2
189.11247	7.1
189.16408	5.6
193.12192	25.5
199.15027	2.6
201.16417	3.7
203.17929	4.0
205.08559	10.3
205.12364	2.8
205.31964	2.1
211.13263	3.0
220.13354	5.9
221.13576	3.3
223.09613	16.4
227.10655	5.8
227.12874	12.0
228.11069	4.9
234.14944	6.1
235.15147	4.2
241.18132	4.5
245.22610	6.1
249.14952	7.2
250.23717	2.2
255.19550	2.8
256.27063	2.2
263.23822	7.3
267.15872	63.8
275.20438	2.9
285.13217	3.9
289.21710	4.7
301.25266	3.2
303.26666	12.9
308.20868	3.9
317.24741	2.6
328.19214	4.3
337.27322	63.3
340.19055	5.3
341.19693	6.2
345.20618	2.9
385.25690	3.6
396.25415	6.2
397.25589	14.7
419.33347	2.7
421.25854	3.3
437.34012	6.7
455.34964	20.1
463.32004	2.7
473.36090	13.8
517.52411	2.4
529.38855	100.0
530.39233	3.8
547.39935	95.3
548.40381	2.1
559.32983	2.2
563.56537	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01866	16.0
55.05501	34.4
57.03158	2.1
57.03428	28.6
57.07040	3.0
58.31844	1.9
67.05498	49.4
69.03411	9.5
69.07071	13.6
71.04975	5.6
71.63519	2.1
73.02904	5.5
79.05484	46.4
81.02932	4.6
81.03407	77.2
81.06599	3.5
81.07047	47.9
82.04183	6.4
83.04967	29.7
83.08611	27.7
85.02898	21.3
85.06554	3.7
86.34295	2.0
91.05469	45.7
93.07034	32.4
95.04373	3.8
95.04956	38.9
95.08585	17.3
97.02866	6.8
97.06494	9.3
97.10172	17.4
98.07293	6.6
99.08077	3.3
100.48100	2.4
101.06017	2.3
105.07011	34.7
107.04951	16.2
107.08575	18.6
109.06527	10.7
109.10151	8.9
111.04387	2.4
111.08089	15.8
113.05964	3.3
116.04713	12.7
117.07011	5.6
119.08582	25.9
121.06482	4.0
121.10112	9.2
123.04507	2.2
123.08054	9.5
125.09612	13.9
127.11118	2.9
129.05470	30.4
129.06981	14.8
131.08540	20.0
133.06471	4.4
133.10126	20.9
135.08043	3.7
135.11671	6.0
137.09578	5.4
142.07797	2.8
142.60611	2.3
143.06989	6.9
145.10143	5.7
147.04353	3.4
147.08025	5.2
147.11670	18.0
149.09608	9.7
157.08600	12.3
157.10104	17.8
163.11147	9.1
165.12741	6.0
171.10150	5.8
175.11159	24.0
189.11165	8.1
191.10580	2.6
193.10518	4.7
193.12222	66.0
199.13284	14.5
201.14868	2.9
204.04384	2.4
209.11761	4.7
211.13264	100.0
214.80818	2.3
219.23004	2.0
227.12755	14.4
229.87973	2.5
255.15939	3.0
267.15884	24.9
283.15530	3.4
285.16916	77.3
298.04205	4.9
301.16431	98.5
353.13831	1.9
439.26614	3.0
476.27908	2.5
477.28290	2.7
493.28204	10.3
511.28983	49.0
546.29773	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70767	0.8
55.01854	2.4
55.05524	4.5
57.03431	4.3
57.07063	1.5
61.02901	2.1
62.84939	0.7
67.05497	12.2
69.03419	2.3
69.07070	7.9
71.04988	1.8
71.54423	1.6
73.02903	1.8
79.05495	10.2
81.03407	3.4
81.06609	1.2
81.07051	15.6
83.04974	4.5
83.08617	3.7
84.08109	0.9
85.02890	2.3
85.06529	1.2
91.05471	10.7
93.07033	13.2
95.04429	0.9
95.04943	5.6
95.08598	10.2
97.02863	2.4
97.06521	3.8
97.10112	1.9
105.07027	13.8
107.04919	4.7
107.08582	8.4
109.06496	6.3
109.10136	4.4
111.08042	0.9
117.07012	4.2
119.08564	8.6
121.06496	6.5
121.10125	5.2
123.08049	5.0
123.11724	1.4
129.06958	2.1
131.08534	10.1
133.06459	2.6
133.10117	10.7
135.08035	3.4
135.11665	4.5
137.09575	1.6
141.06963	1.0
143.08510	1.9
145.06479	1.2
145.10104	8.5
147.08000	2.1
147.11615	7.3
149.09586	4.4
149.13206	2.8
151.11143	3.1
155.08548	1.6
157.10114	3.1
159.08072	1.9
159.11696	3.9
161.09625	2.1
161.13199	1.6
163.11153	5.5
169.10065	1.0
171.11652	1.6
173.09607	2.7
173.13239	3.5
175.11198	2.6
177.12653	1.1
187.11095	0.8
189.12697	0.9
191.10599	0.8
191.14343	2.0
193.12358	1.0
197.09038	0.8
201.12741	2.9
207.13727	2.3
217.15872	0.8
219.13745	1.3
227.12730	1.0
229.19502	1.0
235.13228	0.8
235.92346	0.7
239.17938	2.8
247.20526	3.1
257.18988	7.1
267.15826	2.4
275.20038	41.5
283.15353	1.6
285.16977	0.9
293.21133	4.1
298.04166	1.7
316.94089	0.9
349.23694	100.0
350.24146	1.7
367.24744	30.0
493.27930	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	546.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
57.03429	2.0
57.07064	5.2
59.04991	34.1
63.94930	0.6
66.03883	0.7
67.05517	1.3
69.03405	2.6
69.63196	7.2
71.04984	2.1
81.03423	0.9
81.07050	1.7
83.08595	1.3
85.02897	9.6
87.04455	100.0
89.06017	20.1
95.08572	1.0
97.02875	2.5
97.06498	1.2
99.38715	0.8
99.89853	0.7
101.09648	2.1
103.07567	77.7
105.03346	1.8
107.07033	5.9
109.02892	0.7
119.07047	9.2
121.08588	1.5
127.03860	1.3
129.05466	28.9
139.03862	1.5
145.05025	0.7
163.13284	7.7
175.09641	66.9
175.13086	3.5
184.03064	0.7
193.10721	1.5
205.10687	74.6
217.08589	0.8
246.08511	0.9
317.52246	0.8
374.22076	0.8
378.78448	0.8
384.12003	0.9
385.12790	1.1
405.83551	0.8
489.24249	0.7
541.36407	0.8
546.32874	4.2
547.17828	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	546.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97650	0.2
54.02728	0.2
55.01858	0.3
61.01131	0.9
65.03931	0.6
66.16159	0.2
70.06564	0.4
71.38786	0.6
72.04507	1.9
73.02898	0.3
74.00629	0.3
78.03770	1.6
84.04475	0.3
86.06088	0.4
86.09674	0.8
88.02209	1.3
91.04935	0.4
91.05469	5.5
95.04942	0.4
98.02391	0.5
99.05554	0.5
102.03751	3.1
113.05991	0.4
114.03762	1.3
116.03404	0.3
119.04926	17.1
120.04785	0.3
120.06039	0.2
121.06496	0.3
123.04363	0.3
124.07578	0.7
125.07062	0.3
130.03178	0.6
130.08620	0.5
131.06349	1.6
132.04771	2.5
139.03935	0.3
141.06551	0.3
142.08598	1.5
147.04385	100.0
148.04726	0.8
149.07417	10.9
158.02724	0.3
159.05823	0.7
164.07065	0.3
165.90581	0.2
175.05367	1.2
184.09650	1.0
206.06288	0.6
218.08095	11.3
226.02757	0.2
243.11653	0.7
259.11041	0.3
261.12622	5.5
277.10147	0.5
295.11069	21.0
313.74429	0.2
329.25848	0.2
353.09976	0.4
407.16229	2.6
416.13034	25.2
417.13266	0.4
515.43097	0.3
528.18317	7.2
546.19257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
53.86416	0.7
55.01865	3.5
55.05490	1.0
55.50340	0.7
57.03427	9.6
61.02923	3.8
67.05486	5.8
67.27432	0.7
69.03420	10.5
71.01337	2.5
71.04982	54.6
71.47449	0.7
71.77616	1.0
71.77995	1.2
73.02909	15.6
79.05470	1.6
81.03402	3.1
81.07042	1.8
83.04991	1.0
84.04454	0.7
85.02894	20.5
85.06517	1.3
86.09727	0.8
87.04482	1.7
91.03931	1.0
91.05491	1.0
95.04955	7.2
96.21103	0.6
97.02872	14.2
99.04453	1.0
103.03901	1.2
105.03379	94.2
105.06962	1.0
107.08627	1.0
109.02878	2.2
111.04436	1.6
113.05994	100.0
114.95717	0.6
115.03915	10.1
119.08581	0.7
123.04408	3.9
127.03873	5.1
129.07091	0.7
131.08545	1.0
132.06535	0.8
133.04955	8.0
139.03862	1.0
143.08597	0.8
144.06552	2.3
145.04976	7.1
147.04376	1.0
149.09689	0.7
150.07597	2.1
153.01825	4.0
157.10109	1.2
159.11725	1.4
161.05969	1.5
162.07617	1.7
171.08105	0.9
180.08635	1.6
189.09009	3.4
195.02887	2.1
203.03426	1.9
217.08574	18.2
217.10541	1.1
235.09619	57.0
236.10014	4.8
237.10161	1.2
238.10512	1.4
241.07030	1.1
259.08044	0.9
263.05536	1.3
290.55096	0.8
312.12946	0.9
315.05029	1.8
371.11438	1.3
385.08936	0.8
546.25330	1.0
546.33136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82890	0.9
53.03934	3.8
55.01867	2.4
55.05502	16.1
57.03427	6.8
58.34777	0.8
65.03931	1.6
67.05497	40.5
69.03406	2.4
69.07057	8.2
69.69154	1.8
69.69556	7.8
71.04990	3.2
75.48334	0.8
76.06812	0.8
77.03915	1.1
79.05486	35.9
81.03406	26.9
81.07047	35.4
83.04981	5.3
83.08606	12.8
85.02892	12.6
85.06525	2.5
91.05470	27.6
93.07032	33.2
94.53271	0.9
95.04957	16.0
95.08597	24.8
97.02866	1.2
97.06532	2.8
97.10154	4.4
98.20820	1.8
100.39847	0.9
105.07018	19.5
107.04946	2.5
107.08586	16.4
109.06504	3.5
109.10142	10.0
111.08086	6.4
117.06998	7.6
117.98822	0.8
119.08566	18.8
121.06476	1.6
121.10135	13.5
123.08055	1.4
123.11696	2.7
125.09623	1.7
129.06973	7.1
131.08543	12.0
133.06462	1.2
133.10107	11.4
135.08046	0.9
135.11684	7.9
137.09680	1.5
142.07877	1.0
143.08539	2.8
145.10109	8.5
147.08090	1.0
147.11679	10.7
149.09628	3.6
149.13264	2.8
151.11137	1.0
155.08517	1.1
157.10124	9.5
159.11688	4.1
161.13249	2.7
163.11304	0.9
165.12724	1.2
167.90987	1.0
169.10101	1.1
171.11681	1.5
173.13205	4.5
175.11174	8.4
175.14873	1.0
176.92032	1.0
185.13249	1.7
187.14842	2.2
187.16946	0.8
189.11292	1.7
193.12219	28.5
197.13194	1.6
197.26161	0.9
211.13266	31.3
211.15138	1.9
227.12808	2.6
229.14299	1.4
241.19429	1.1
243.16081	0.9
249.14801	1.0
261.22189	5.0
267.15833	7.4
274.41516	0.9
285.22205	1.6
287.20264	1.0
301.25195	1.7
317.24808	2.0
335.25827	3.3
359.25748	1.3
417.31195	1.6
435.32471	3.4
453.33643	4.0
471.34811	1.9
509.36197	1.1
513.22760	1.1
527.37299	14.9
545.38318	100.0
546.38879	2.7
554.20813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03932	3.4
55.01856	2.6
55.05501	18.2
57.03179	0.5
57.03432	7.0
57.07058	1.9
59.04990	0.7
65.03934	3.2
67.05495	41.6
69.03423	3.4
69.06698	0.9
69.07054	11.1
69.79620	1.8
69.80051	2.2
71.04983	4.1
77.03925	1.0
79.05481	42.8
81.03405	29.5
81.07044	41.5
81.07417	0.6
81.07554	0.5
83.04974	5.9
83.08608	15.2
85.02396	1.0
85.02891	14.6
85.03408	0.8
85.06537	1.5
91.05465	35.3
93.07031	37.6
95.04956	16.9
95.08591	25.0
95.09207	0.9
97.02859	1.4
97.06515	3.4
97.10153	5.6
99.08083	1.5
103.05489	0.5
105.04470	0.7
105.07014	20.7
107.04943	3.7
107.08577	18.7
109.06514	3.9
109.10133	10.7
109.10880	0.5
111.04431	1.1
111.08065	7.6
112.81474	0.5
113.05985	1.4
113.09647	0.5
115.05417	0.8
117.06989	6.7
119.08558	18.1
121.06464	1.4
121.10129	16.3
121.11002	1.0
123.08045	1.8
123.11692	3.7
125.09617	3.3
128.06203	0.9
129.06978	6.2
130.07755	0.5
131.07550	0.7
131.08542	13.9
133.06493	1.6
133.10112	11.2
135.08005	0.6
135.11662	8.3
137.09592	1.4
137.13219	0.7
139.11047	0.6
141.07025	0.8
142.07759	0.9
143.08522	1.9
145.10095	7.8
147.08046	1.8
147.11661	11.8
149.09598	3.6
149.13194	3.6
151.11256	1.2
155.08577	1.2
157.10114	7.3
159.11691	5.0
161.13249	3.4
163.11240	0.8
163.14798	0.9
165.12743	2.1
168.39200	0.5
169.10091	1.2
171.11584	2.3
173.13226	4.7
175.11143	7.9
175.14775	1.6
177.12779	0.9
179.14392	0.5
183.11752	1.2
185.13231	1.4
187.14810	1.8
189.11197	1.4
189.16325	0.8
193.12221	26.9
195.11702	0.6
197.13245	1.1
201.16293	0.9
209.13223	0.7
211.13257	33.6
213.16412	0.9
223.14928	0.6
227.12744	2.5
237.16354	0.6
243.21140	1.4
248.43753	0.5
249.14777	0.6
261.19073	0.7
261.22064	5.0
267.15836	5.3
285.16995	0.9
285.22064	1.1
299.23807	0.6
301.25220	3.1
303.23209	0.6
317.24838	1.5
335.25732	4.1
359.25940	0.6
417.31714	1.1
435.32635	3.2
453.33649	3.1
471.34644	2.2
473.33191	0.6
509.36066	1.5
513.22369	0.9
527.37231	16.9
545.38324	100.0
546.38824	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01849	3.2
55.05500	20.4
57.03423	8.0
57.07060	2.1
63.88480	0.8
65.03917	2.9
66.35492	0.6
67.05493	48.2
69.03401	2.7
69.07057	11.1
70.14252	4.4
71.04981	4.5
79.05013	1.9
79.05479	37.5
81.02930	1.7
81.03403	29.1
81.07040	43.4
83.04965	7.4
83.08606	16.6
85.02892	13.2
85.06498	1.7
91.05464	30.6
93.07026	40.1
95.04949	19.9
95.08587	29.3
96.56946	0.8
97.02876	1.5
97.06516	3.9
97.10143	8.0
101.56589	1.0
105.07013	24.8
107.04949	4.0
107.08572	20.7
109.06506	3.2
109.10141	13.9
111.04404	1.0
111.08067	5.7
113.06004	1.0
115.05415	1.8
117.06992	7.5
119.08562	19.2
121.06505	3.0
121.10122	15.9
123.08051	4.3
123.11676	3.8
125.09608	5.9
128.06218	1.0
129.06998	6.9
130.07765	0.8
131.07631	1.6
131.08548	18.2
133.06483	1.9
133.10103	12.9
135.08061	2.5
135.11670	9.4
136.60124	0.8
137.09595	2.6
137.13226	0.9
141.07004	1.4
142.07742	2.0
143.08517	3.7
144.12531	0.9
145.09109	1.1
145.10109	10.1
147.08006	1.4
147.11653	11.8
149.09613	4.0
149.13231	4.2
151.73651	0.8
155.08563	1.4
157.10135	8.4
159.11652	6.8
161.13243	2.9
163.11200	1.2
163.14764	1.4
165.12791	0.9
167.08392	0.8
169.10083	2.7
171.11639	4.0
173.13240	5.4
175.11162	7.3
175.14821	2.1
177.16312	1.0
181.10065	1.0
183.11688	2.3
185.13237	3.3
187.14853	3.3
189.11209	4.4
189.12674	0.8
193.12209	26.1
197.13208	1.5
199.14848	1.4
201.16403	1.9
211.13234	24.0
224.87070	0.8
227.12770	3.7
243.21159	2.1
247.16756	0.8
249.14859	1.0
259.20499	1.2
261.19409	1.1
261.22052	6.4
267.15903	10.7
279.23053	1.0
283.23993	0.9
285.22089	2.4
301.25159	5.8
303.23285	1.1
317.24734	1.7
335.25793	6.3
359.25754	1.8
392.60114	0.8
417.31717	1.6
421.25702	1.1
435.27460	1.1
435.32672	3.6
439.44714	1.1
453.33807	6.0
471.34348	3.5
495.21674	0.7
509.36081	2.1
527.37238	28.0
545.38306	100.0
546.38568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01855	2.6
55.05500	16.8
56.24723	0.8
57.03424	6.2
57.07056	1.7
58.08947	0.6
59.04978	1.3
65.03922	3.4
67.05492	41.0
69.03403	3.1
69.07054	11.5
69.82903	0.7
70.08959	1.3
70.09376	2.6
70.17558	0.6
71.04981	3.5
74.80121	0.6
75.80378	0.6
77.03931	0.7
78.41064	0.6
79.05479	42.5
81.03404	31.8
81.07042	41.5
83.04958	7.2
83.08604	13.6
85.02895	14.4
85.06538	1.3
86.03500	0.7
91.05463	30.1
91.06038	1.5
93.07029	36.7
94.14517	0.7
95.04961	17.0
95.07996	1.5
95.08588	27.8
97.02865	1.5
97.06495	4.5
97.10152	5.9
99.08072	1.1
105.07012	23.4
107.04951	3.1
107.08576	18.2
107.44672	0.7
109.06483	3.4
109.10143	9.3
110.07180	0.6
111.04417	1.5
111.08064	5.9
113.05975	1.8
117.06995	6.9
119.08560	16.2
121.06508	1.7
121.07738	0.7
121.10114	18.1
121.62794	0.8
123.08041	2.4
123.11692	3.7
125.09586	3.8
128.06255	0.8
129.06985	6.3
131.08545	12.6
131.26480	0.8
133.06462	1.9
133.10100	11.2
135.08076	0.8
135.11667	8.7
137.09630	1.7
141.06927	1.3
142.07759	1.3
143.08545	2.1
145.10077	8.5
147.08038	1.0
147.11659	12.7
149.09546	3.6
149.13303	3.4
155.08563	1.0
157.10094	6.9
159.11671	4.7
161.09610	0.9
161.13257	2.6
163.11189	1.2
163.14807	1.8
165.12686	1.6
169.10181	1.0
171.11737	1.9
173.11945	0.9
173.13226	3.4
175.11159	7.9
175.14784	1.8
181.10086	1.1
181.57600	0.6
183.11575	0.9
187.14796	2.3
189.11197	1.4
189.16397	0.9
191.14149	0.8
193.12204	29.5
195.11720	1.0
199.14780	1.3
211.13249	33.7
227.12750	2.4
243.21033	1.7
249.14769	0.8
261.22134	5.0
267.15854	6.5
273.18649	0.7
285.21884	1.3
301.25229	2.8
303.23026	1.2
317.24844	1.4
324.81418	0.7
335.25711	5.5
435.32620	3.1
453.33609	2.9
471.34592	1.7
509.36179	1.1
527.37244	18.0
528.37524	1.2
545.38293	100.0
546.38776	2.7
568.56281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01867	3.8
55.05247	1.3
55.05505	21.8
57.03424	6.2
57.07060	3.2
65.03943	2.0
65.77776	1.0
67.05495	47.6
69.03410	2.6
69.07058	14.5
69.61174	0.9
69.74497	5.2
69.74920	2.9
69.87993	1.1
70.28235	0.8
71.04978	2.7
79.05035	1.7
79.05485	29.5
81.03406	20.2
81.07047	47.6
83.04967	4.0
83.08614	15.0
85.06532	3.0
91.05466	24.5
93.07033	29.7
95.04957	18.4
95.08597	28.9
97.06528	4.3
97.10163	16.2
99.08086	1.9
100.50908	1.0
105.07016	22.6
107.04917	5.2
107.08578	22.6
107.09263	1.6
109.06504	4.0
109.10143	16.2
111.08056	3.9
115.05495	2.0
117.06989	11.6
119.08571	19.1
121.06488	5.7
121.10123	14.0
123.08084	2.6
123.11709	7.9
125.09589	10.8
128.06242	1.2
129.06967	6.9
131.08559	16.4
133.06488	2.3
133.10115	14.9
135.08035	3.2
135.11681	10.7
137.09592	2.5
137.13275	1.9
139.07516	1.0
142.07745	1.3
143.08540	6.9
145.06432	1.1
145.10103	13.3
147.08026	3.2
147.11670	11.0
149.09615	3.7
149.13240	4.7
151.11090	1.4
155.08539	3.4
157.10120	7.7
159.08095	1.6
159.11674	10.3
161.09612	1.2
161.13313	5.4
163.11185	2.3
163.14827	2.7
165.12782	1.3
169.10165	2.4
171.10277	1.7
171.11572	4.7
173.09633	1.7
173.13219	9.4
175.11150	4.3
175.14822	4.2
177.12778	1.9
179.14468	1.1
181.10075	1.8
183.11711	3.1
185.13239	4.7
187.11179	1.1
187.13321	1.0
187.14816	3.8
189.11195	7.4
189.12752	1.6
189.16365	1.5
191.14282	1.1
193.12233	9.9
195.11501	1.4
197.13255	2.7
199.14841	3.0
201.12859	1.0
201.16397	2.7
203.17984	1.5
205.12285	1.5
209.13234	1.7
213.16347	1.2
219.13866	1.1
227.12749	10.6
227.17897	1.4
233.15277	1.7
243.15804	2.2
243.21045	3.1
247.16994	2.0
249.18733	1.2
261.18631	1.0
261.19489	1.6
261.22073	11.2
266.54449	1.0
267.15860	20.3
267.18506	1.7
279.23199	2.0
283.24319	1.5
285.22122	2.9
287.20023	1.5
293.21033	1.1
299.23642	2.3
301.21887	1.3
301.25195	13.6
303.23010	1.4
315.19601	1.3
317.24911	2.7
329.21100	1.8
329.24652	1.0
335.25772	16.8
359.25638	1.5
375.08542	1.0
406.20023	1.1
417.26230	1.4
417.31393	1.8
421.25745	2.1
425.34277	1.6
435.27359	1.5
435.32468	4.8
453.33652	12.1
471.34717	9.3
475.30780	1.2
493.36508	1.0
509.36362	2.2
527.37305	53.3
545.38293	100.0
546.39050	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11995	0.7
53.03938	4.2
55.01859	2.7
55.05232	0.9
55.05502	19.4
55.47264	0.7
57.03423	3.8
57.07060	3.8
59.47793	0.7
65.03923	3.4
67.05495	61.6
69.07056	20.9
70.02267	5.1
71.01287	0.7
71.04971	4.5
71.08620	31.9
73.06521	0.8
77.03902	0.7
79.05482	50.2
81.03406	7.4
81.07045	77.1
83.04973	10.1
83.05910	0.7
83.08604	14.0
85.06516	2.7
91.05467	38.7
93.07031	69.8
95.04953	14.4
95.08592	38.0
97.06519	10.7
97.10159	3.8
98.20776	1.5
99.08083	22.3
99.08703	1.6
99.65714	0.7
105.07018	22.0
107.04946	7.9
107.08576	37.7
107.77119	0.7
109.06525	4.1
109.10143	10.2
111.08052	4.2
113.09621	3.9
117.06998	7.3
119.08568	16.2
121.06503	2.7
121.09242	1.4
121.10130	29.2
123.08044	1.0
123.11706	3.4
125.09676	0.8
129.06982	2.5
131.08551	9.3
133.06456	1.2
133.10112	14.6
135.08012	1.4
135.11676	33.2
137.09616	2.9
141.09084	3.1
143.08595	2.4
145.10068	4.5
147.11673	7.1
149.09576	1.5
149.13229	19.5
151.11136	12.2
153.09151	1.0
153.12714	1.0
157.10150	2.2
159.11671	8.5
161.13243	12.7
163.11177	5.0
163.14819	1.7
165.05429	1.8
165.12735	2.0
167.10658	2.0
169.09879	0.8
171.11674	2.1
173.13255	2.0
175.14835	2.1
177.12694	5.2
179.14287	97.0
180.14540	1.3
181.12248	1.1
185.13286	2.3
189.12715	1.8
193.12228	1.2
195.13782	6.3
199.14830	1.5
199.76569	0.8
205.44826	0.8
221.08231	1.0
221.11649	0.9
221.15422	2.1
235.16919	5.5
237.11078	1.0
241.19484	1.6
246.26353	0.7
251.16374	4.6
259.20584	3.7
269.17422	1.3
277.21594	74.1
278.22006	1.4
295.22696	7.3
301.25269	1.1
343.18927	1.6
351.25381	2.3
480.99341	0.8
527.37482	2.5
545.38342	100.0
546.38916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05504	5.4
57.03426	1.4
57.07067	1.1
57.71097	0.6
59.04982	0.9
61.73922	0.7
65.03931	0.7
67.05499	14.7
69.03431	0.8
69.07057	4.3
69.71200	0.7
69.71542	6.3
71.04988	1.0
79.05488	13.4
81.03417	5.2
81.07042	14.1
82.07388	1.0
83.04981	2.0
83.08628	4.2
83.69244	0.6
85.02900	1.6
85.06557	0.8
91.05470	9.9
93.07033	12.0
95.04971	4.6
95.08590	8.4
97.06517	1.8
97.10160	2.1
101.06832	0.7
105.07028	7.1
107.04950	1.2
107.08573	7.2
109.10151	3.1
117.07022	2.6
119.08558	6.7
121.06432	0.8
121.10133	5.0
123.11707	1.8
123.18106	0.7
125.09657	1.2
129.07008	2.6
131.08566	4.8
133.10109	5.1
135.08080	1.2
135.11676	4.7
135.22102	0.7
136.12016	0.9
143.08540	1.2
145.10139	3.2
147.08025	0.8
147.11653	3.3
149.09665	2.0
149.13254	1.2
151.11234	0.9
157.10168	2.0
159.11728	2.1
161.09798	0.7
161.13304	1.8
163.11176	1.3
169.10106	0.7
171.11658	1.7
173.13272	1.9
175.11156	1.3
185.13304	1.3
187.14796	0.9
189.11177	0.9
189.16522	0.8
193.12260	3.0
195.13727	0.7
204.44093	0.7
211.13374	3.0
227.12791	1.6
259.20557	0.7
261.22128	1.5
267.15930	2.2
291.19641	1.2
301.25296	1.2
304.10718	1.4
335.25919	2.2
359.25714	0.7
373.17706	4.8
435.32529	1.3
453.33380	1.9
471.34747	1.5
513.22473	8.8
527.37305	7.8
544.37500	0.8
545.25128	100.0
545.37994	28.5
546.25439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12658	0.9
53.03930	1.7
55.01853	1.4
55.05502	11.1
57.03420	3.7
57.07072	2.4
59.04995	1.2
65.03922	1.8
67.05492	27.1
69.03420	1.6
69.07069	9.5
69.14787	0.9
70.37660	4.4
71.04970	2.5
71.08603	1.2
79.05019	1.3
79.05483	23.3
81.03404	7.0
81.07043	32.2
83.04962	3.6
83.08613	7.6
85.02894	1.0
85.06524	1.5
91.05464	18.5
93.07030	22.5
94.40199	0.9
95.04967	6.3
95.08598	19.0
97.02847	1.0
97.06484	2.3
97.10167	4.7
98.21426	1.2
99.08093	1.4
101.32850	1.0
105.03334	2.1
105.07011	17.1
106.07317	1.0
107.04963	1.5
107.08586	15.1
109.06490	3.1
109.10139	8.1
111.08050	2.2
113.20757	1.0
117.06996	7.1
118.89868	0.8
119.08563	12.9
121.06477	2.8
121.10130	12.7
123.08038	2.7
123.11658	2.8
125.09596	4.0
128.06216	1.4
129.06990	4.1
129.51665	0.9
131.08554	10.1
133.06451	1.9
133.10106	9.5
135.08015	2.2
135.11652	8.0
137.13203	1.8
143.08508	3.9
145.10129	8.1
147.07997	1.0
147.11671	8.4
149.09598	3.2
149.13261	3.3
155.08583	2.0
155.86143	1.0
157.10080	4.7
159.11671	5.4
161.09573	1.1
161.13216	3.2
163.11166	3.0
163.14799	2.0
165.12708	2.1
169.10088	2.6
171.11710	2.7
173.09561	1.2
173.13242	3.7
175.11139	3.3
175.14807	1.5
177.12724	1.6
179.14243	1.3
181.10094	1.2
183.11678	2.3
185.13206	3.5
187.14752	2.3
189.11226	2.2
189.16405	1.0
193.12216	3.5
195.11835	1.0
195.13596	0.9
197.13258	1.3
199.14832	1.3
201.16330	1.1
203.14381	1.4
205.08662	1.1
209.13278	1.1
213.16364	1.7
215.17819	1.0
227.12711	1.4
243.21002	1.5
249.11267	1.5
259.20639	1.0
261.22098	4.4
267.15811	6.7
277.21817	1.4
285.22156	1.7
291.19443	1.8
301.25208	2.6
304.10748	1.1
317.24802	1.6
333.24231	1.5
335.25732	4.0
363.25137	1.4
373.17618	4.6
417.31570	1.9
435.32529	6.1
453.33704	5.0
471.34567	3.5
509.35834	1.4
513.22498	13.2
527.37299	23.3
545.24896	100.0
545.38013	54.7
546.25446	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	545.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06865	0.3
57.03408	0.6
57.46405	0.3
61.02914	0.7
69.03420	1.4
70.06577	0.4
71.80170	0.3
71.80595	0.4
73.02908	0.4
79.01847	0.6
81.03384	0.8
85.02894	3.0
97.02875	0.6
104.62316	0.3
109.02869	0.7
127.03861	0.8
133.34520	0.3
144.08089	0.7
145.04955	0.3
162.56715	0.3
163.03893	0.7
193.08562	1.0
203.03310	0.4
205.04906	0.6
206.09343	1.2
209.08092	0.6
215.07010	0.4
217.04893	2.1
217.08420	0.5
218.05634	1.1
219.02946	0.5
219.06502	0.9
220.07303	0.5
221.08044	1.8
229.08569	0.3
231.06657	0.4
232.07268	0.7
233.08057	40.1
234.08827	12.0
235.09528	0.8
239.09206	0.3
241.05051	0.6
243.02849	0.5
243.06400	0.4
244.07269	0.4
245.08055	7.6
247.05904	0.5
247.09634	6.7
248.06757	1.9
257.08014	1.7
258.08987	2.5
259.05978	2.0
259.09491	1.8
261.03943	1.2
261.07562	2.7
263.09113	55.8
264.09555	0.8
271.09485	0.4
272.06650	0.9
273.07703	1.1
273.11166	10.9
275.09131	3.1
277.10776	0.7
287.09088	15.6
293.10110	3.4
299.09052	1.1
301.10617	4.5
305.10184	1.0
311.09042	0.5
317.10162	10.2
318.10483	0.4
319.11819	0.3
329.10178	6.7
347.11227	16.6
365.07608	0.5
365.12289	12.9
383.13309	100.0
384.13596	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03928	2.0
55.01859	2.2
55.05502	14.3
55.22206	0.4
57.03427	3.1
57.07066	1.1
59.04985	0.8
63.74477	0.4
63.76283	0.5
64.32593	0.4
65.03934	1.4
66.61821	0.4
67.05495	24.0
69.03408	1.8
69.07053	8.0
69.93652	0.9
69.94064	2.6
71.04971	2.4
79.05482	17.2
81.03410	5.3
81.07045	20.7
83.04958	2.6
83.08610	7.0
85.02868	0.6
85.06517	1.4
91.05467	16.8
93.07032	15.0
95.04958	5.7
95.08593	11.0
97.06508	2.2
97.10159	9.1
99.08089	0.5
103.05499	0.9
105.07014	15.5
107.04948	2.5
107.08575	9.3
107.09261	0.7
109.06499	2.3
109.10132	9.4
111.04433	0.5
111.08060	1.9
115.05431	0.8
117.07008	8.7
119.08566	11.6
121.06490	2.6
121.10130	4.6
123.08050	2.1
123.11690	1.7
123.24864	0.5
125.09624	5.7
128.06224	1.6
129.06985	7.4
130.07774	0.6
131.04929	0.5
131.08557	12.1
133.06458	1.7
133.10129	8.1
135.08022	2.4
135.11636	3.2
137.09624	1.4
141.06949	2.3
142.07774	2.0
143.08546	9.8
144.09297	0.7
145.06490	2.7
145.10100	9.8
147.04457	0.5
147.08066	1.9
147.11674	6.1
149.09650	2.5
149.13284	1.1
151.11168	0.6
153.06870	0.8
153.09076	0.6
154.07838	1.0
155.08556	6.3
156.09306	0.7
157.06509	1.3
157.10112	8.8
159.08073	2.7
159.11668	7.5
161.09605	1.4
161.13266	2.2
163.11180	1.7
165.06958	0.8
165.12766	0.6
166.07750	0.5
167.08527	2.2
168.09273	1.0
169.10100	7.3
171.08073	1.5
171.11671	8.4
173.09644	2.2
173.11821	0.7
173.13170	4.7
175.11166	1.7
175.14803	0.8
179.08556	1.3
181.10117	3.2
182.10834	0.8
183.08043	0.6
183.11658	5.9
185.09627	1.7
185.13213	5.4
187.11188	1.3
187.13382	0.7
187.14812	2.8
189.09189	0.5
189.11206	2.0
189.12724	0.7
193.10304	0.9
193.12238	2.2
195.11620	3.2
196.12469	0.5
197.13240	3.7
199.11185	1.1
199.14767	3.3
201.12761	1.6
201.16225	0.6
203.14397	0.9
207.11646	1.6
209.13258	3.0
211.14821	2.1
212.15498	0.5
213.12781	1.4
213.16418	1.1
217.16055	0.6
219.11595	0.6
221.13335	1.2
223.14816	1.7
225.16423	1.3
227.12578	3.2
227.18010	0.6
229.14238	1.1
233.13210	0.7
235.14880	0.9
237.12704	0.5
237.16417	0.9
239.17986	0.6
241.19627	1.6
253.19519	0.6
257.19177	0.9
259.20526	2.9
265.19620	0.8
267.15787	3.4
273.18640	0.7
275.20190	0.8
283.17352	0.5
283.20621	2.1
297.18860	0.9
297.22183	2.3
299.20306	0.8
299.23636	5.6
301.21677	1.4
309.21930	0.6
311.19965	0.7
313.21667	0.7
315.23267	1.2
325.21640	0.6
333.24310	1.3
335.23615	0.7
337.21481	0.6
339.23233	1.1
353.24707	0.6
355.26312	1.0
357.24261	0.8
371.25659	0.8
388.69934	0.6
405.31638	0.7
415.29962	2.7
421.25797	1.4
423.32626	1.9
433.31128	6.1
435.27631	0.7
445.29700	0.7
451.32022	8.7
452.32379	0.7
469.33170	5.2
470.10068	0.5
479.34882	0.6
487.34027	0.8
489.33594	0.8
507.34540	1.7
515.37158	1.8
525.35681	19.8
526.36133	0.9
543.36743	100.0
544.37195	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01872	3.4
55.05504	17.1
57.03428	2.4
57.07053	1.9
57.13938	0.6
59.04997	0.8
65.03928	1.9
67.05499	23.0
69.03415	2.0
69.07058	8.5
71.04983	2.6
71.81804	0.8
75.04488	0.7
79.05017	0.9
79.05484	20.5
81.03414	5.3
81.07043	23.5
82.07378	0.5
83.01334	1.0
83.04966	3.8
83.08154	0.9
83.08610	9.7
85.02890	0.8
85.06519	1.4
88.45947	0.5
91.05468	19.2
93.07031	21.6
95.04948	7.7
95.08590	14.2
97.06515	3.5
97.10161	11.8
105.04486	0.5
105.07018	12.7
107.04929	2.8
107.08574	13.3
109.06502	3.2
109.10153	8.5
111.04435	1.0
111.08073	2.3
115.05422	1.2
116.06274	0.6
117.07007	10.0
119.08559	11.7
121.06497	2.2
121.10131	8.7
123.08049	2.5
123.11689	2.7
125.09615	7.6
128.06226	1.7
129.07005	7.2
130.07806	1.1
131.08551	13.9
133.06474	1.0
133.10114	9.4
135.08032	2.0
135.11679	6.4
136.12074	0.5
137.09573	0.9
137.13272	0.5
139.11116	0.6
141.06982	2.1
142.07736	0.7
143.08542	6.7
143.10649	0.7
145.06467	1.4
145.10101	14.5
147.08058	1.4
147.11658	5.3
149.09593	1.4
149.13260	1.6
153.09077	0.7
153.12700	1.5
153.52171	0.5
154.07718	0.8
155.08554	4.7
156.09375	0.7
157.10104	7.2
159.08047	2.0
159.11671	9.8
161.09654	0.9
161.13197	3.0
163.11157	4.4
163.15044	0.5
167.08531	1.2
168.09370	0.6
169.10091	4.5
171.08017	1.2
171.11655	5.5
173.09659	1.9
173.13235	6.2
175.11177	0.7
175.14836	1.1
177.12775	0.7
179.08498	0.9
181.10135	2.2
181.12167	0.8
182.10789	0.7
183.11658	4.2
185.09549	0.9
185.13232	5.0
187.11211	1.8
187.13371	0.6
187.14771	2.8
189.09602	0.8
189.11171	4.8
189.12663	0.7
191.10599	1.1
193.10136	1.0
193.12236	1.7
195.11691	2.1
196.65237	0.5
197.13225	3.7
199.11198	1.0
199.14746	2.9
201.12764	1.3
201.16335	1.2
207.11714	1.2
209.11554	0.6
209.13284	2.2
211.11197	0.6
211.14870	1.7
213.12825	0.9
213.16353	0.9
215.14325	0.6
223.14792	1.4
225.16331	1.1
227.12717	9.0
235.14775	0.8
239.18027	1.0
241.19516	0.9
243.15877	1.1
243.21062	0.7
255.21103	0.6
259.20654	1.9
261.22235	1.8
265.19608	0.8
267.15924	2.0
275.20105	0.8
281.22574	0.7
283.20581	1.9
297.22113	1.0
299.20215	0.7
299.23618	9.0
301.21570	1.6
315.23239	1.3
317.24805	0.9
325.21667	0.9
329.21277	0.7
333.24304	1.2
339.23398	1.0
353.24640	0.6
355.26373	0.9
357.24261	1.7
405.31387	0.9
415.30225	1.4
423.32614	1.4
433.30850	5.4
451.32037	9.1
452.32233	0.8
469.32947	4.6
487.34134	2.1
499.34311	0.7
507.34808	1.4
525.35706	18.7
526.36707	0.6
543.36755	100.0
544.37201	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	543.3675
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.32403	0.4
51.02358	0.6
53.03938	1.4
55.01852	2.0
55.05506	13.7
57.03428	3.5
57.07069	1.2
59.04997	0.8
65.03921	1.2
67.05494	22.1
69.03413	1.1
69.07056	7.1
70.30893	2.4
71.04974	1.7
71.08598	0.7
79.05482	16.3
81.03410	7.9
81.07048	18.1
83.04982	2.5
83.08613	7.9
85.06527	1.5
91.05466	15.7
91.06036	0.9
92.05828	0.5
93.07034	15.5
95.04955	5.5
95.08591	10.5
95.09510	0.6
97.06522	2.4
97.10159	7.9
99.08061	1.0
103.05444	0.6
105.07012	15.7
107.04975	2.5
107.08583	9.7
109.06534	1.5
109.10136	8.6
111.08060	2.6
111.11676	0.6
115.05449	1.4
117.07008	9.8
117.07793	0.7
119.08562	11.8
121.06476	2.5
121.10137	5.3
123.08070	1.4
123.11674	1.9
125.09617	5.7
128.06229	1.7
128.43488	0.5
129.06989	8.1
130.07803	0.9
131.08546	14.7
133.06471	1.2
133.10103	7.7
135.08026	2.5
135.11682	3.8
137.09633	1.2
141.06973	2.6
142.07765	2.1
143.08524	9.5
145.06494	2.4
145.10106	10.6
147.08044	2.0
147.11670	5.4
149.09610	1.9
149.13214	1.8
153.09117	0.9
154.07721	0.8
155.08556	5.0
156.09335	0.8
157.06477	0.7
157.10130	8.7
159.08067	3.1
159.11662	7.4
161.09630	1.4
161.13266	2.6
163.11185	1.7
165.07082	0.7
167.08519	2.6
168.09364	0.7
168.82408	0.5
169.10110	6.4
170.07343	0.8
170.10815	0.7
171.07999	1.3
171.11667	7.3
173.09631	1.9
173.11829	0.7
173.13193	5.4
175.11159	1.5
175.14771	1.4
178.23282	0.6
179.08398	0.7
179.14230	1.4
181.10138	2.7
183.11661	6.8
185.09621	1.9
185.13216	6.4
187.11166	1.4
187.13377	0.6
187.14772	2.5
189.11221	2.1
189.12721	0.6
191.14272	0.5
193.10201	1.4
193.12262	2.0
195.11676	3.1
197.09534	0.6
197.13213	4.0
199.11189	1.4
199.14857	3.1
201.12717	1.0
201.16434	1.1
205.10225	0.5
207.11668	0.8
209.13213	2.9
211.11217	0.6
211.13147	0.5
211.14853	2.6
213.12823	0.8
213.16451	1.5
215.14369	0.8
219.11653	0.5
221.13283	1.6
223.14865	1.4
225.12822	0.9
225.16389	1.2
227.12714	2.4
227.17960	0.7
229.14284	0.8
233.15373	0.9
235.14804	1.4
237.16388	0.8
239.17885	0.9
241.15840	1.0
241.19496	1.1
243.15797	0.6
255.21159	0.5
257.15549	0.5
257.19064	0.7
259.20560	2.9
263.17877	0.8
267.15820	3.6
271.16971	0.6
275.20160	0.8
277.21643	1.9
283.20514	1.1
285.18524	0.6
295.20538	0.6
296.80386	0.5
297.22177	1.4
299.20593	0.9
299.23495	3.2
301.21643	1.1
311.20020	1.0
313.21622	1.3
315.22928	1.2
321.21686	0.7
323.23401	0.6
325.21600	0.9
327.23215	0.8
329.21133	0.7
333.24277	1.8
335.23666	0.7
339.23312	1.2
347.61679	0.5
353.24899	0.7
357.24200	1.1
371.25839	0.8
379.89874	0.6
405.31699	0.9
415.30002	1.9
421.26285	0.9
423.32510	1.5
433.31088	5.0
435.27460	1.3
441.33389	0.6
451.32040	9.7
452.32593	0.6
469.33179	4.1
487.34146	1.2
507.34509	2.1
515.37146	1.8
525.35712	21.2
526.35986	1.1
543.36761	100.0
544.37042	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01859	2.7
55.05502	13.3
57.03439	2.9
57.07043	1.3
65.03922	0.9
67.05496	22.2
67.05855	1.2
69.03426	1.2
69.07057	7.2
69.70898	4.9
71.04977	1.9
72.71712	0.5
79.05484	16.3
81.03404	6.1
81.07043	18.8
83.04977	2.7
83.08609	7.6
85.02898	0.5
85.06531	1.5
91.05466	17.6
93.07034	15.0
95.04961	5.6
95.08600	13.0
97.06515	1.7
97.10145	6.9
97.48327	0.5
99.08082	0.7
103.05449	0.8
105.07014	15.9
107.04961	2.2
107.08575	10.4
109.06509	1.8
109.10144	8.8
111.08060	1.8
115.05421	1.0
117.06995	9.8
119.08566	12.6
121.06514	2.0
121.10133	5.7
123.08041	1.2
123.11706	2.0
125.08767	0.9
125.09590	4.8
128.02856	0.5
128.06227	2.5
129.07001	8.0
130.07742	0.9
131.08551	15.0
131.09477	1.1
132.72427	0.6
133.06502	1.2
133.10103	9.0
135.08032	1.9
135.11687	3.4
137.09604	1.4
141.06979	3.0
142.07788	2.0
143.08559	9.9
145.06474	2.0
145.10104	11.7
145.86986	0.5
147.08047	1.1
147.11685	5.9
149.05962	0.8
149.09604	1.7
149.13286	0.8
151.11119	1.1
153.06975	0.8
153.09026	0.8
154.07674	0.8
155.08563	5.4
156.09375	1.2
157.06509	0.9
157.10097	7.7
159.08041	2.6
159.11659	9.0
161.09650	1.4
161.13206	3.4
163.11212	1.1
165.06987	0.8
167.08575	2.8
169.10115	7.5
171.08073	1.5
171.11671	6.7
173.09651	2.0
173.11818	1.1
173.13211	4.6
175.11183	2.0
175.14853	1.1
179.08534	0.7
181.10109	3.3
183.11711	5.0
185.09657	1.3
185.13246	6.1
187.11220	1.7
187.13306	0.9
187.14867	2.5
189.11224	2.0
193.10158	1.0
193.12222	1.2
195.11740	3.8
197.13307	4.1
199.11217	1.7
199.14838	2.7
201.12775	1.1
205.10069	1.0
207.11710	2.3
209.13301	2.7
211.13116	1.0
211.14854	1.6
213.12798	0.8
213.16405	1.2
215.14369	1.0
215.17825	1.1
219.11679	0.6
221.13234	1.4
223.14886	3.0
225.16425	1.4
227.12720	1.5
229.14409	1.5
237.16360	0.9
239.17996	1.2
241.15955	0.6
241.19514	1.9
251.18008	0.8
257.19016	1.1
259.20544	4.3
263.17963	0.7
265.19354	0.8
267.15860	3.0
271.20563	0.7
275.20166	0.8
277.21768	1.0
281.22562	0.8
283.20599	2.1
297.22125	1.7
299.20493	0.7
299.23642	3.8
301.21686	1.0
313.21826	1.0
315.23035	1.3
325.21722	0.9
327.23227	0.8
329.21246	0.8
333.24661	1.3
339.23126	1.5
343.22821	0.8
353.24695	1.0
357.23923	1.2
371.25775	0.9
405.31616	1.3
415.29929	1.7
421.26257	0.9
423.32669	1.6
433.30936	5.1
451.32101	9.2
469.33176	4.6
471.31277	1.2
485.33145	0.7
487.34338	0.7
507.34772	1.2
515.37366	2.2
525.35645	20.0
543.36768	100.0
544.36926	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	543.3676
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.21748	0.5
52.49868	0.6
53.03930	2.5
53.81697	0.5
55.01877	3.1
55.05505	18.1
55.61624	0.4
57.03431	2.8
57.07066	1.8
58.98457	0.4
59.04985	1.2
65.03922	1.4
67.05494	27.7
69.03414	1.3
69.07061	8.4
71.04995	2.3
71.81946	0.8
75.60905	0.5
79.05480	24.4
81.03409	6.3
81.07043	25.5
83.01331	1.5
83.04968	6.0
83.08607	8.5
85.02908	0.8
85.06534	1.4
91.05466	18.9
92.05801	0.8
93.07030	24.1
94.07368	0.6
95.04954	7.6
95.08598	15.1
97.02893	0.7
97.06505	2.6
97.10158	10.6
99.04475	0.7
103.05458	1.0
105.04520	0.6
105.07015	17.1
107.04962	2.9
107.08579	14.7
109.06514	2.7
109.10137	9.2
109.23040	0.5
110.16660	0.5
111.04401	1.1
111.08066	2.0
111.60621	0.5
115.05466	1.2
117.06998	9.4
119.08563	13.4
121.06511	2.2
121.10123	9.9
123.08061	2.8
123.11658	2.4
125.09623	8.3
128.06209	1.3
129.06972	5.5
130.07837	1.0
130.15927	1.5
131.08549	14.6
133.06476	1.1
133.10115	9.0
135.08089	2.4
135.11678	7.7
137.09604	1.3
141.07001	1.5
142.07727	1.0
143.08540	6.7
145.06425	2.5
145.10103	12.1
147.08051	1.1
147.11652	5.4
149.09613	1.3
149.13239	2.6
153.07056	0.5
153.09149	0.6
153.12762	1.4
154.07745	0.7
155.08519	3.7
156.09373	0.5
157.06483	0.7
157.10130	7.0
159.08057	1.3
159.11671	9.1
159.12921	0.7
161.09689	0.9
161.13200	2.6
163.11156	6.3
163.14818	0.9
167.08543	1.4
168.09358	0.6
169.10080	4.2
171.08046	1.2
171.10284	0.7
171.11664	5.8
173.09612	1.9
173.11797	0.8
173.13237	5.4
175.11194	1.1
175.14796	1.3
177.12695	1.0
179.08586	0.8
181.10120	2.1
181.12257	1.7
183.11650	3.7
185.09639	1.0
185.13260	4.3
187.11226	1.4
187.13286	0.5
187.14847	1.7
189.11218	4.0
191.10652	1.1
193.10187	0.5
193.12242	1.4
195.11707	1.8
197.13268	2.2
199.11227	0.6
199.14835	2.1
201.12669	0.9
201.16452	0.6
203.14421	0.6
207.13773	0.6
209.11655	1.9
209.13272	1.4
211.13095	0.8
211.14862	1.5
213.16328	1.0
215.14420	0.6
221.13306	0.7
223.14868	0.7
225.16422	0.8
227.12685	6.9
237.16432	0.6
239.18013	0.6
241.19601	1.3
243.15889	0.7
243.21068	0.8
259.20529	2.2
261.22089	2.1
267.15924	1.9
275.19934	0.6
277.21664	0.8
281.22574	0.8
283.20694	1.1
297.22064	0.6
299.23630	8.0
299.26978	0.6
301.21646	1.5
315.23224	0.9
317.24820	1.3
325.21585	1.0
333.24243	1.8
339.23380	0.9
343.22632	0.5
353.24863	0.8
355.26389	0.6
357.24124	1.0
405.31485	0.7
415.29764	0.9
423.32593	1.1
433.31003	3.9
451.32043	7.1
469.33002	4.2
487.34271	2.3
489.33688	0.8
507.34726	0.7
515.37115	1.5
525.35687	17.1
543.36755	100.0
544.37103	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	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01873	4.1
55.05505	15.1
57.03436	4.3
57.07069	1.6
59.04996	1.2
59.10106	0.5
65.03928	1.5
65.95596	0.6
67.05497	26.6
69.03409	2.0
69.07056	8.3
69.87054	2.7
69.87476	0.8
70.44353	0.5
71.04985	1.6
79.05033	1.1
79.05485	18.2
81.03404	6.8
81.07044	23.7
83.04990	3.7
83.08611	7.7
85.02927	0.6
85.06536	1.7
91.05468	17.7
93.07033	16.8
95.04961	5.5
95.08594	12.9
97.06525	1.9
97.10160	7.7
97.61057	0.5
99.08098	0.6
103.05479	0.8
105.07018	15.9
107.04962	1.7
107.08587	11.2
109.06523	2.3
109.10139	10.0
111.08045	2.4
115.05457	1.7
117.07005	10.1
119.08570	13.5
121.06498	3.3
121.10112	5.7
123.08070	2.3
123.11710	2.0
125.09593	6.3
128.06197	2.4
129.06993	9.8
130.07800	0.6
131.04907	0.9
131.08553	13.8
133.06511	1.4
133.09122	0.5
133.10106	9.6
135.08044	2.5
135.11676	3.0
137.05977	0.6
137.09628	1.5
141.06950	3.1
142.07817	2.4
143.08545	10.9
145.06490	1.7
145.10100	13.1
147.08064	2.2
147.11679	5.9
149.09631	1.8
149.13316	1.2
151.11302	0.6
154.07780	0.9
155.08537	6.5
156.09319	0.9
157.06473	1.1
157.10100	9.7
157.11259	0.9
159.08058	2.7
159.11700	8.0
161.09633	1.1
161.13242	3.0
163.11220	1.3
166.07874	0.6
167.08568	2.2
169.10098	6.4
171.08089	1.7
171.11670	8.5
173.09650	2.0
173.11827	0.9
173.13199	5.3
175.11194	2.3
175.14850	1.0
177.12701	0.7
179.08647	1.3
179.14383	0.6
180.09512	0.7
181.10107	3.3
183.08113	0.6
183.11659	6.0
185.09656	2.2
185.13232	5.3
187.11224	1.8
187.14815	2.0
189.11244	2.3
189.12737	1.0
193.10181	1.1
193.12253	2.9
195.11728	3.7
197.13217	3.8
199.11177	0.9
199.14830	3.6
201.12773	1.5
201.16342	0.9
207.11722	1.2
209.13339	3.2
211.13107	1.0
211.14844	2.0
213.12793	1.1
213.16447	1.4
215.14273	0.8
221.13277	1.1
223.14835	1.8
225.16460	0.8
227.12775	1.9
229.14275	0.9
235.14787	0.7
241.16072	0.6
241.19508	1.6
247.16914	0.7
253.19594	0.6
255.17316	0.8
257.19003	0.7
259.20474	4.5
263.17969	0.7
267.15805	3.3
271.20480	0.6
275.20209	1.0
277.21857	0.6
281.18848	0.8
281.22626	0.6
283.20633	2.5
297.22043	2.0
299.20590	0.8
299.23630	4.1
301.21790	1.0
309.22226	1.0
313.21704	0.7
315.23242	1.4
325.21667	1.1
327.23215	0.7
333.24194	1.1
335.23489	0.6
339.22955	1.0
357.24295	1.2
405.31525	0.8
415.30035	1.9
421.26108	0.8
423.32581	1.6
433.30988	7.2
451.32053	9.4
469.33258	4.2
487.34091	1.2
507.34821	1.9
515.37024	1.6
525.29138	0.5
525.35687	19.5
543.36761	100.0
544.37286	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	543.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23618	0.1
55.05482	0.1
57.03419	0.5
58.03273	0.1
59.54280	0.1
67.05480	0.2
69.03396	0.3
69.07043	0.1
70.47697	0.4
73.02887	0.4
73.83364	0.1
79.05457	0.2
81.03411	0.2
81.07063	0.2
83.08596	0.1
85.02895	0.6
85.84736	0.1
91.05440	0.2
93.07027	0.1
95.04921	0.1
95.69386	0.1
97.02853	0.3
97.10128	0.1
105.06991	0.2
107.08590	0.1
115.03915	0.3
118.70049	0.1
119.08546	0.2
127.03899	0.2
133.04953	0.3
133.10115	0.1
135.85141	0.1
137.37961	0.1
145.10103	0.1
151.07527	0.1
165.09158	0.1
167.03406	0.2
177.05556	0.1
193.04964	0.3
205.04955	0.3
206.05717	0.5
207.05963	0.4
208.06142	0.2
210.31345	0.1
219.06491	5.5
220.07281	10.2
221.08029	0.4
234.08868	0.1
235.09605	3.8
236.09970	2.9
237.07790	0.2
237.10170	2.1
249.11186	100.0
250.11504	1.2
285.03790	0.1
411.16446	15.0
412.16275	0.1
525.04156	0.1
543.05518	0.2
543.21948	0.2
543.31049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02246	0.1
57.03417	0.2
59.49634	0.1
68.51826	0.1
68.99789	0.1
69.03407	0.1
70.08606	0.4
70.09020	0.2
71.04980	0.9
73.02919	0.1
74.05197	0.1
81.07028	0.1
83.04935	0.1
84.19582	0.1
85.02895	1.3
87.93623	0.1
95.34187	0.1
97.02873	0.5
105.06997	0.1
109.06487	0.1
111.04444	0.1
123.04396	0.2
127.03897	0.1
129.05429	0.4
137.05885	0.1
139.03932	0.1
147.06479	0.1
151.07513	0.1
153.01808	0.2
179.03409	0.5
179.07140	0.1
205.04935	6.8
206.05722	13.8
207.06436	0.3
220.07378	0.4
235.09624	100.0
236.09985	1.0
247.09621	0.1
277.10641	0.2
397.14847	1.2
422.09348	0.1
470.50803	0.1
543.11060	0.4
543.19513	0.2
543.31354	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	543.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.2
57.98594	0.1
59.14122	0.1
66.86446	0.1
69.03411	0.2
70.92725	0.2
71.04983	0.7
75.04450	0.1
81.07034	0.1
83.04960	0.1
85.02380	0.1
85.02901	1.4
97.02878	0.4
98.21448	0.1
99.04453	0.1
111.04401	0.1
117.05434	0.1
121.19586	0.1
123.04404	0.1
127.03912	0.1
129.05447	0.4
135.62544	0.1
139.03865	0.2
145.04977	0.1
147.06511	0.2
148.07228	0.1
151.07509	0.2
153.01833	0.1
179.03307	0.5
193.04955	0.2
205.04939	7.8
206.05721	14.8
207.06467	0.5
219.06328	0.1
220.07381	0.4
235.09619	100.0
236.09947	0.9
249.11165	0.2
277.10928	0.1
279.08633	0.1
281.06238	0.1
397.14819	0.5
401.91763	0.1
421.28867	0.1
543.10785	0.2
543.20404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46092	0.6
71.76716	0.9
98.97579	0.9
122.62733	0.9
139.00764	1.4
141.08318	0.7
143.51959	0.8
145.00784	2.3
151.79665	0.6
152.02313	0.8
160.01302	2.1
166.01274	0.7
169.01833	1.0
181.01855	1.3
187.01747	1.0
190.02429	1.4
196.02351	1.3
202.02377	1.3
211.02896	2.1
219.01668	0.9
232.03400	4.4
233.42552	0.7
261.02771	0.8
262.04468	1.2
292.05618	1.8
320.80524	0.7
356.89694	0.8
363.06921	1.7
381.07913	11.6
412.30298	0.7
543.13177	100.0
544.13544	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	543.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60973	0.5
65.48906	0.6
70.16331	3.3
72.37202	0.5
76.94308	0.6
79.50518	0.6
80.25596	0.6
83.37327	0.6
94.51808	0.6
97.08292	0.6
118.02601	0.6
139.83356	0.6
154.01212	0.6
160.01286	0.7
179.02660	0.7
181.01866	0.7
189.00664	0.7
196.02405	0.6
232.03532	0.9
256.58932	0.7
259.62509	0.7
261.02914	0.8
275.05963	0.9
276.05753	1.0
292.35184	0.6
301.48911	0.6
363.06918	2.0
381.07889	11.2
421.72372	0.6
543.13177	100.0
544.13794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01871	0.8
61.02907	0.7
69.03416	1.2
69.66599	2.5
69.67028	1.2
79.05480	1.6
81.03426	0.9
84.04510	1.1
85.02896	4.8
91.05467	1.6
93.07053	0.9
94.04179	1.6
97.02872	1.7
103.05460	5.7
105.07030	3.5
107.04926	1.3
108.02174	0.4
109.06484	1.0
115.05405	0.4
117.07000	0.7
119.04990	0.6
121.06480	2.3
122.03656	4.3
123.08056	0.7
127.03940	0.8
128.06206	0.5
129.06985	0.6
130.04950	0.5
131.04910	8.1
133.06471	17.0
135.04408	0.7
135.08040	5.0
137.05959	100.0
138.06308	1.9
143.08560	1.5
145.04929	1.3
145.06451	4.0
147.08044	1.4
148.06035	1.0
149.05992	2.2
151.07535	5.7
157.06567	1.0
159.07967	0.5
161.05952	0.7
162.06577	0.4
163.03902	0.8
163.07523	30.2
165.09039	0.9
170.22174	0.4
171.08070	2.0
174.06787	1.5
174.10521	0.4
175.07466	2.4
177.09055	0.7
179.07033	0.5
184.07237	0.5
188.08279	0.9
189.09071	4.3
193.08611	0.6
201.11110	0.5
203.10631	5.0
209.08057	1.1
211.09648	1.2
219.10223	0.6
221.11742	0.8
235.11246	0.8
263.10657	1.4
295.13266	18.6
327.15869	33.8
328.16159	1.1
345.16907	2.9
346.26428	0.4
388.42096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
56.96556	2.5
58.53543	0.3
65.03939	0.6
69.03429	0.6
69.60345	0.5
69.60747	2.3
79.05475	1.2
79.95222	0.2
84.96026	0.3
85.02898	0.9
89.03908	2.6
91.05460	4.4
93.07038	1.2
95.04938	0.6
97.02904	0.5
98.97562	1.2
103.05454	5.7
107.04963	2.1
114.50170	0.3
116.98590	0.7
117.03349	2.3
119.04922	7.1
120.08084	100.0
121.08418	0.6
123.04456	0.3
123.17127	0.3
128.98602	0.3
131.00125	0.3
131.04893	2.3
135.04391	5.9
136.06126	0.7
137.05917	1.2
141.02194	0.3
143.00160	0.8
145.02805	3.3
147.04387	23.4
148.04735	0.6
149.05956	2.5
151.07504	0.4
158.99570	0.4
159.03258	0.5
161.01164	1.3
161.47798	0.2
163.03880	26.4
164.04166	1.5
166.08612	58.3
167.06999	1.3
169.01617	0.3
170.99698	0.3
177.00632	0.5
179.06984	3.2
185.01222	0.5
187.02774	0.3
189.00638	0.5
203.02184	0.6
211.02769	0.4
213.00723	0.8
213.04279	0.5
218.99693	0.3
219.01730	0.5
221.03004	1.0
229.03769	0.4
231.01639	0.6
231.05376	0.7
237.00656	1.0
237.02771	1.0
239.02042	0.3
247.96063	0.3
249.02878	0.6
255.01703	1.8
257.03128	0.3
267.03772	0.4
273.02780	2.3
273.05670	0.3
289.05234	0.4
311.11060	0.4
365.10098	0.5
375.09180	0.8
393.05737	0.3
393.10611	0.9
411.05823	0.6
429.06915	0.6
569.13611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.58473	0.5
55.01850	0.9
57.03419	1.1
61.02902	1.4
65.03916	0.9
66.39975	0.5
67.05477	1.3
69.03418	6.5
69.07037	0.7
70.06567	1.0
71.04977	1.0
71.77643	0.8
72.04819	0.5
76.23388	0.5
77.47977	0.5
79.05471	0.9
80.96503	0.6
81.03396	1.4
81.07041	1.1
85.02898	7.7
85.06537	1.0
91.03937	0.6
91.05458	0.7
93.03381	0.6
95.04948	5.6
95.08558	0.9
97.02879	32.2
97.15611	0.5
98.03205	0.7
105.07019	0.6
107.04910	1.1
107.08582	0.5
108.08060	0.8
109.02854	1.9
109.06496	1.3
111.04445	6.1
117.06973	0.4
119.08569	0.9
121.06450	0.6
122.30931	0.6
123.04419	20.7
124.05200	6.2
125.05949	1.8
127.03876	1.8
137.02350	1.2
137.05959	8.3
139.03882	31.1
140.04630	1.7
142.23914	0.5
145.04942	1.3
151.03879	2.9
152.04689	2.9
153.05447	10.3
155.03348	1.0
157.04942	2.1
161.05963	0.9
167.03374	6.9
168.04170	1.9
169.04948	4.1
177.05489	0.7
177.09041	1.2
179.03122	5.3
180.08623	1.9
191.06981	7.1
205.08466	1.0
206.09409	1.5
213.05418	0.6
221.04254	2.7
223.09563	3.2
224.10416	3.8
225.11061	0.6
231.06430	1.0
235.09544	3.3
239.09067	1.3
243.06493	0.8
258.05142	0.6
259.05991	0.9
261.07437	0.7
281.06287	8.6
285.03714	0.9
291.08594	100.0
292.08969	1.2
303.73917	0.6
345.13229	1.7
363.14331	52.0
397.14752	0.7
468.87643	0.5
479.38391	0.7
483.09109	4.5
524.49231	0.5
542.22516	3.0
543.11017	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.8
50.32121	0.4
51.02374	0.9
53.00301	0.5
53.03937	5.1
55.01637	0.5
55.01863	2.9
55.05501	23.9
57.03436	2.7
57.07063	7.1
58.07412	0.8
59.04982	0.5
65.03925	4.5
67.05493	68.7
67.34904	0.4
68.05828	0.6
69.03413	2.2
69.07056	17.6
70.06580	3.5
70.07379	0.4
70.68468	1.1
71.04975	2.7
71.06901	0.8
71.08620	3.3
73.02905	0.8
73.06554	1.2
77.03910	1.0
78.04694	0.5
79.05480	87.5
80.05806	1.1
81.03407	8.1
81.07042	63.7
82.07395	0.9
83.04965	8.6
83.08601	9.1
85.06513	2.9
85.10178	1.0
88.07616	6.2
91.05464	62.2
92.05785	0.6
93.07028	80.9
94.07369	0.7
95.04953	19.8
95.08591	40.2
97.02879	0.5
97.06516	5.3
97.10131	3.7
98.20757	0.5
99.04410	0.6
99.08087	1.8
101.05995	0.5
102.09164	4.2
103.05441	2.1
105.04527	2.5
105.07012	42.2
107.04935	5.7
107.08575	28.1
109.06506	6.3
109.10134	11.2
111.08080	2.0
113.09560	0.7
115.05456	1.5
117.07002	11.0
117.07798	0.8
119.08562	28.4
121.06505	2.3
121.10126	17.9
123.08057	4.9
123.11681	2.2
125.09628	0.7
127.07562	1.3
128.06174	2.9
129.06995	12.1
130.07774	0.9
131.08556	11.8
133.06511	1.0
133.10107	14.6
135.08025	0.8
135.11673	9.5
136.12170	0.4
137.09628	1.5
137.13269	0.8
139.11163	0.6
141.06950	0.7
141.09088	0.7
142.07761	1.4
143.08542	8.3
145.10103	12.9
146.37206	0.4
147.08031	2.6
147.11661	30.5
149.09673	0.4
149.13245	3.9
151.07468	0.6
151.11201	0.5
153.05391	0.6
153.12624	0.6
155.08514	1.6
156.09308	0.9
157.10152	2.8
159.11636	5.7
161.09593	3.2
161.13235	12.5
163.14775	1.3
169.10109	2.1
171.11661	23.1
173.13231	3.2
175.14804	1.2
179.14276	1.0
181.10085	0.9
183.11710	1.4
185.13257	1.7
187.14857	1.5
189.12733	10.1
195.11656	0.9
197.13220	1.9
199.14777	1.2
201.16269	0.7
205.08551	0.8
207.13765	24.6
208.14229	0.6
209.13258	0.9
211.14784	1.1
215.17679	0.5
225.14763	2.5
233.22498	0.5
243.21082	1.8
256.26297	8.3
257.26639	6.4
261.22113	4.6
273.11276	0.5
274.27216	0.5
281.17462	2.0
283.26266	2.5
284.26666	1.6
284.29474	2.3
285.29828	1.8
311.29318	6.2
312.29733	8.0
317.24658	2.2
335.25665	0.6
341.17624	0.8
356.19937	0.6
365.45129	0.5
431.33060	0.6
449.34067	1.7
467.35281	0.9
523.37622	1.7
540.53247	2.5
541.38879	100.0
541.53418	36.9
542.39197	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	541.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
57.03425	2.4
57.07070	24.4
58.06601	1.8
59.19400	1.6
67.05490	5.8
69.07066	14.0
70.06584	16.2
71.08609	7.6
71.81956	2.5
81.07037	9.0
83.01328	5.1
83.08624	3.3
85.06507	2.0
85.10183	3.7
88.07623	17.4
89.06008	2.4
91.05450	2.8
93.07036	6.9
95.04975	2.0
95.08617	6.1
102.09164	13.5
105.07017	7.6
107.08551	4.5
109.06497	4.5
109.10135	3.0
117.07015	2.5
119.08564	9.8
121.06537	2.2
121.10169	2.0
123.11716	2.8
127.03902	2.5
129.06992	2.1
131.08562	4.6
133.10118	7.2
135.08073	4.9
135.11728	3.2
137.05925	2.7
143.08572	2.8
145.10115	7.0
147.11702	1.9
149.09587	4.1
150.25691	1.8
153.05467	3.1
157.10152	3.1
159.08069	2.1
159.11697	9.5
161.06003	2.4
162.06781	2.3
163.07547	4.7
163.11224	2.7
165.05467	58.8
172.12500	5.8
173.09651	4.8
173.13245	29.0
173.14595	2.2
177.09142	9.3
183.06609	1.8
191.10739	5.9
201.09091	4.8
201.16292	2.0
203.18102	2.4
215.17917	80.4
219.10147	61.7
219.12144	3.1
219.17438	1.7
221.11708	20.4
231.17416	3.8
237.11194	100.0
256.26331	27.1
257.26627	11.9
269.60388	1.7
274.27420	2.2
283.26401	8.2
284.26703	3.2
284.29535	4.9
285.29938	2.0
305.17459	6.8
311.29391	25.9
312.29663	15.1
367.22736	14.9
540.53552	38.3
541.53821	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.7
51.02345	0.8
53.03933	6.2
55.01862	8.9
55.05505	16.3
57.03427	4.3
57.07059	1.3
62.06095	1.0
64.11102	0.6
64.94474	0.5
65.03930	2.6
67.05495	40.7
68.63079	0.6
68.99763	0.7
69.03413	2.9
69.07056	26.7
70.93385	1.4
71.04975	2.6
73.02991	0.6
73.35645	0.5
77.03895	0.9
79.05483	35.3
81.03407	63.7
81.07045	42.0
83.04966	8.7
83.08604	16.5
83.89989	0.6
85.06533	1.8
91.05468	49.2
93.07032	29.3
95.01323	10.0
95.04330	0.7
95.04957	25.9
95.08592	28.7
95.09206	1.4
97.02872	1.0
97.06515	12.9
97.10180	5.5
99.08115	0.9
103.05452	1.7
105.07016	56.2
107.04950	16.7
107.08582	16.8
109.02863	0.9
109.06506	5.4
109.10139	9.2
111.04444	1.6
111.08058	5.5
113.09637	0.9
115.05464	1.8
117.07008	14.6
119.08565	34.6
121.06500	5.3
121.10124	9.6
123.04427	2.1
123.08065	4.8
123.11691	1.7
125.06004	0.9
125.09600	3.8
128.06195	1.7
129.06984	11.4
131.08546	21.3
133.06497	3.0
133.10115	31.5
135.08029	4.7
135.11659	6.1
137.09616	2.7
139.07533	0.9
141.07021	2.6
142.07770	3.7
143.08577	5.8
145.06519	3.1
145.10107	14.5
147.08034	3.7
147.11658	15.5
149.09598	9.0
149.13182	3.1
151.11176	0.9
155.08549	3.2
157.06465	0.7
157.10130	9.6
159.08061	1.2
159.11679	11.4
161.09610	1.3
161.13237	4.3
162.64255	0.7
163.11182	4.0
165.09143	1.8
165.12744	1.8
167.08600	0.8
169.10109	4.3
171.07977	1.0
171.10388	0.7
171.11661	4.2
173.09621	2.3
173.11954	1.0
173.13213	3.7
175.11205	5.0
177.12729	3.6
179.14296	13.1
179.15742	1.0
181.10106	1.3
183.11649	3.4
185.09607	1.0
185.13266	2.5
187.11151	3.2
187.14819	1.1
189.11232	1.1
189.12840	1.1
189.62108	0.6
193.10439	1.2
193.12231	11.3
195.11649	1.4
195.13649	0.6
197.13271	3.0
199.14828	1.0
201.12712	1.0
205.12244	1.5
207.11633	1.0
207.13808	0.7
209.13266	1.4
211.14862	1.4
212.11366	0.6
215.14391	1.4
215.17892	1.1
219.13971	1.0
219.17419	3.0
221.13107	0.9
229.19519	1.3
233.15388	1.2
239.18024	2.3
241.14252	1.4
247.20592	2.1
249.14949	2.7
257.18921	7.1
267.15884	2.2
275.20032	71.2
276.20438	1.0
293.21085	7.9
297.22342	1.1
323.19458	0.7
331.22772	1.4
349.23715	2.4
421.31155	1.1
431.29547	1.7
449.30453	3.8
451.28836	0.7
467.31741	2.4
523.34204	4.6
541.35217	100.0
542.35156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.5
55.01863	4.2
55.05503	17.6
57.03424	2.9
57.07068	13.2
59.04987	1.6
59.78880	0.7
62.07601	0.7
64.92672	0.8
65.03922	2.0
65.66738	0.6
67.05494	23.9
68.05811	0.8
68.99768	0.6
69.03413	2.7
69.07064	8.9
71.04970	2.0
71.80989	1.0
73.06547	0.8
75.04467	2.5
77.03888	1.0
78.10532	0.9
79.05483	17.3
81.03397	7.3
81.07046	22.8
83.01329	4.5
83.04971	4.1
83.08613	9.7
85.06526	4.8
91.05467	17.9
93.07034	16.8
95.04949	8.3
95.08599	12.4
97.06521	3.5
97.10161	11.0
99.04475	1.1
99.08096	1.0
103.05415	1.0
105.07010	16.8
107.04960	3.7
107.08571	11.9
109.06512	5.1
109.10143	10.1
111.08056	2.4
113.09609	0.7
115.05439	2.2
117.06985	9.2
119.04940	1.4
119.08564	17.7
121.06499	4.2
121.10116	4.5
123.04433	1.1
123.08027	2.5
123.11690	1.5
125.09616	9.2
127.07529	3.3
128.06221	3.3
129.06982	12.5
130.07748	0.9
131.04898	1.2
131.08557	12.9
133.06461	3.9
133.10103	12.4
134.10463	0.9
135.08014	3.7
135.11670	3.5
137.05956	3.1
137.09587	2.4
139.07506	1.2
141.07011	3.8
142.07782	3.1
143.08551	13.1
145.06471	2.1
145.10121	11.0
147.08046	2.2
147.11688	3.6
149.09586	2.4
151.03883	0.8
151.11172	1.5
153.05464	0.8
153.06992	1.7
153.09050	1.9
153.12769	0.8
154.06322	0.9
154.07729	1.4
155.08530	8.6
156.09337	1.8
157.06447	2.5
157.10098	9.0
159.08043	3.8
159.11700	5.5
161.09592	4.3
161.13272	1.2
163.03821	0.7
163.07550	1.0
163.11188	2.4
165.06981	1.4
165.09096	1.0
167.08508	3.8
168.09387	1.7
169.10114	9.3
170.07253	0.8
171.08043	7.0
171.11635	7.2
173.09601	2.3
173.13234	3.2
175.07541	1.1
175.11096	1.5
179.08533	2.0
179.10622	1.2
180.09322	1.6
181.10054	4.7
183.08022	1.4
183.11647	7.7
185.08090	1.5
185.09608	2.8
185.13231	5.6
187.11194	1.7
189.09134	2.8
189.11214	4.6
189.12692	1.1
191.07112	1.4
191.10738	0.9
193.08571	1.8
193.10175	1.4
193.12244	1.4
195.11674	3.4
197.09592	1.2
197.13269	4.5
199.11206	1.9
199.14822	3.3
201.12714	1.8
203.07076	2.4
205.10243	0.8
207.11774	1.2
208.12447	0.9
209.08067	3.3
209.11487	1.0
209.13350	4.7
211.09489	0.9
211.11310	1.2
211.14714	1.3
213.09229	1.0
213.12730	3.2
217.08574	2.8
218.11015	0.7
219.06363	0.8
221.08087	1.1
221.13268	2.5
223.14859	2.2
225.12939	1.2
225.16240	0.9
226.09807	1.1
227.09071	1.6
227.12823	3.3
231.13847	1.0
233.13266	1.5
235.14867	1.7
237.16501	0.8
241.12471	1.2
243.13954	0.9
245.08096	5.6
245.11736	1.6
246.08807	0.8
253.15955	0.8
257.08176	1.0
257.15652	0.8
257.18961	1.8
259.13245	2.1
263.09146	2.6
269.11642	5.3
269.19055	0.8
269.22540	0.9
275.20117	4.9
287.12656	4.7
295.20560	1.0
297.18961	1.5
297.22040	6.2
299.19925	0.8
301.14435	3.1
305.13846	1.0
311.20090	1.2
313.21393	1.2
315.23065	1.2
319.15213	1.5
319.20645	0.9
323.20102	1.4
329.13818	1.0
329.17667	0.9
337.17996	1.8
337.21802	1.2
347.14716	4.2
351.23203	1.0
353.17404	1.4
355.19113	1.4
369.20535	1.2
371.18591	4.7
389.19403	1.5
403.21201	1.1
403.29791	1.2
405.19022	25.6
405.24423	1.3
406.19266	0.9
413.28168	1.0
421.22360	1.3
421.30963	1.3
423.20135	7.9
431.29474	6.2
437.21686	2.0
441.81888	0.9
449.30426	9.0
455.22717	4.9
456.23535	0.8
467.31720	5.4
485.32727	3.1
497.32971	1.0
505.33188	1.3
523.27924	1.0
523.34363	11.7
541.35199	100.0
542.35529	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	541.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80683	0.7
51.02370	1.1
53.03941	5.2
53.31888	0.6
55.01613	0.7
55.01863	9.7
55.05243	1.1
55.05504	17.8
57.03431	3.3
57.07056	1.9
59.04999	0.9
65.03938	3.8
67.05495	39.7
69.03428	3.3
69.07059	28.6
69.07440	1.4
69.72413	5.2
71.04987	2.7
77.03928	1.2
79.05482	32.2
81.03406	53.6
81.07047	42.6
81.21498	0.7
83.04969	8.5
83.08606	13.9
85.06541	1.9
91.05467	47.1
93.07033	31.2
95.01315	8.5
95.04339	1.0
95.04955	22.8
95.08595	27.5
97.02869	1.3
97.06520	14.2
97.10161	5.4
99.08051	1.1
103.05449	1.5
105.04539	0.8
105.07017	49.7
107.04947	16.2
107.08580	15.9
109.02914	0.8
109.06510	6.3
109.10153	8.6
111.04408	1.7
111.08074	4.7
113.09632	1.3
115.05458	3.2
117.07005	12.6
119.04922	1.2
119.08562	29.9
121.06517	4.3
121.10129	8.7
123.04417	0.7
123.08018	4.3
123.11707	1.6
125.09599	3.9
128.06227	3.5
129.06981	13.2
130.07738	1.1
131.08553	22.5
133.06514	3.9
133.10114	24.4
135.08083	3.7
135.11658	5.7
137.09622	2.9
141.06924	4.2
142.07768	2.8
143.08537	8.3
145.06471	3.0
145.10117	14.1
147.08022	3.5
147.11671	14.4
149.09583	7.8
149.13242	2.7
151.11133	1.9
154.07776	0.8
155.08546	5.0
157.06580	0.7
157.10107	11.3
159.08067	2.4
159.11665	10.5
161.09630	1.7
161.13260	3.4
163.11124	3.4
165.07014	0.7
165.09117	1.5
165.12740	0.8
167.08572	1.4
169.10075	6.7
171.08073	1.9
171.11667	6.2
173.09644	1.9
173.11877	1.1
173.13179	3.7
175.11154	4.5
175.14760	1.1
177.12701	3.5
179.08485	0.8
179.14296	10.4
181.10182	1.9
183.08116	0.8
183.11659	6.2
185.09572	1.0
185.13202	3.9
187.11137	3.6
187.14848	1.0
189.11252	0.8
193.12257	9.1
195.11679	2.5
197.13348	3.8
199.11156	0.9
199.14793	1.8
201.12712	1.3
201.16293	0.8
205.12256	1.7
207.11742	1.4
209.13289	2.0
211.11278	1.2
211.14880	1.6
215.14403	0.9
219.13777	1.0
219.17471	2.9
221.13240	1.0
223.14844	1.1
227.12680	1.6
229.14255	0.7
229.19489	1.8
233.15338	0.8
238.17934	0.7
239.18011	2.1
240.19736	0.7
241.14340	1.5
247.20636	1.3
249.14911	2.7
257.18988	7.2
267.15909	1.6
275.20029	61.6
279.21136	0.7
293.21072	5.3
295.20657	1.9
297.18698	0.8
297.22144	1.5
313.21649	1.2
331.22543	1.3
337.21591	1.2
349.23785	2.2
369.24326	0.8
413.28845	1.0
421.30927	1.0
431.29535	2.8
442.48907	0.7
449.30383	4.9
467.31708	3.9
478.37476	2.1
485.32529	1.3
513.35828	0.9
523.33997	8.4
541.35199	100.0
542.35620	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.2
55.01865	3.9
55.05502	20.0
57.03430	3.9
57.07066	30.3
59.04984	2.3
65.03929	1.8
65.49171	1.9
67.05498	27.9
69.03405	4.9
69.07056	14.0
70.08044	4.7
70.08443	3.3
71.04974	3.1
75.04462	3.7
79.05485	23.9
80.04993	2.6
81.03418	10.7
81.07045	30.0
83.01340	10.4
83.04965	5.9
83.08611	10.5
85.02862	2.0
85.06551	8.5
90.91259	1.5
91.05460	23.9
93.07034	21.7
95.04950	11.1
95.08580	17.1
97.06522	3.6
97.10154	11.9
98.20763	1.8
105.07033	22.8
107.04947	5.1
107.08598	13.1
109.06514	8.7
109.10139	18.5
111.08098	2.2
115.05414	2.2
117.07025	11.8
119.08565	21.7
121.06488	6.2
121.10153	5.0
123.08043	3.8
125.06023	1.6
125.09622	9.6
127.07577	7.5
128.06210	2.8
129.06992	10.0
131.08548	13.8
132.17329	1.5
133.06488	6.3
133.10126	20.9
135.04370	1.6
135.08083	7.5
135.11688	4.2
137.05954	8.6
137.09624	4.3
141.06985	3.6
142.07773	4.5
143.08549	12.1
145.06421	4.2
145.10088	15.9
147.08051	5.4
147.11671	4.8
149.09608	5.7
151.03897	1.8
151.11130	3.5
153.05428	2.0
153.07025	1.6
153.09109	2.2
155.08536	6.7
156.09338	2.3
157.06578	1.9
157.10144	10.5
159.08052	4.9
159.11638	9.0
161.09560	9.2
163.07550	2.8
163.11171	3.2
165.06949	2.1
165.09137	4.0
166.07831	1.6
167.08586	4.5
168.09357	3.2
169.10136	10.2
171.06636	1.9
171.08014	16.4
171.11658	9.5
173.09590	2.4
173.13240	2.9
175.07524	4.4
175.11226	3.2
177.09149	2.5
179.08575	3.4
179.10646	2.3
181.10146	6.3
183.11745	6.2
185.08084	5.8
185.09583	3.2
185.13268	7.1
187.11198	2.0
189.09103	7.1
189.11188	5.4
189.12770	3.4
191.07011	3.7
193.08572	4.0
193.12331	2.2
195.10112	2.8
195.11711	5.9
197.09618	2.1
197.13165	3.6
199.07544	2.9
199.11224	4.2
201.12752	3.0
203.06993	4.5
207.11778	3.0
209.08075	7.1
209.13310	4.0
211.14809	3.2
213.09128	2.1
213.12709	4.0
217.08560	3.4
221.08104	3.8
225.12852	2.5
227.10803	2.7
227.12706	4.6
229.08549	2.5
231.13815	1.9
237.16423	1.9
241.10432	2.4
241.12500	2.7
243.10036	2.1
245.08070	11.1
245.11673	4.0
257.18991	2.9
259.13419	3.9
263.09113	8.2
269.11591	7.4
275.20090	7.4
279.21021	2.0
287.12766	9.5
295.20062	2.2
297.22202	7.9
301.14252	10.0
311.19986	2.0
315.23169	2.1
319.15417	2.6
321.13678	2.1
325.17685	1.7
329.13843	4.4
337.18094	1.9
339.22229	1.6
343.18988	4.2
347.14819	10.7
355.18979	2.7
369.20532	3.5
371.18469	12.9
389.19629	3.8
405.19040	68.9
423.20123	13.9
431.29584	5.5
437.21811	6.5
449.30673	7.6
455.22818	9.1
467.31613	6.5
473.25415	3.2
485.32852	2.0
506.42203	1.7
523.34637	10.6
541.35211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16632	0.0
52.90233	0.1
53.03923	0.1
55.05487	0.1
56.13439	0.1
57.03399	0.1
60.84617	0.0
61.02900	0.1
67.05476	0.1
68.99792	0.1
69.03405	0.4
69.07031	0.1
70.44560	0.3
71.04962	0.1
77.95924	0.1
79.05460	0.1
81.03404	0.3
81.06995	0.2
85.02882	0.8
91.05404	0.1
93.06987	0.1
95.04928	0.1
95.08543	0.1
97.02872	0.4
99.04431	0.4
103.03912	0.5
107.04980	0.1
107.08548	0.1
109.02867	0.5
109.06470	0.1
122.93512	0.1
123.04401	0.1
127.03888	1.3
127.07513	0.1
133.10109	0.1
145.04933	0.7
151.07495	0.1
153.01773	0.2
163.05988	0.1
165.01863	0.1
166.09778	0.1
167.10631	0.1
171.02893	0.1
178.02617	0.1
179.03346	0.3
187.05949	0.2
189.09209	0.1
193.04948	0.1
193.08578	0.1
205.02892	0.1
205.03450	0.1
205.04913	4.6
206.05705	11.2
207.06328	0.4
219.06454	0.2
220.07310	0.8
229.79771	0.1
235.09607	100.0
236.09937	1.8
271.07990	0.1
277.10590	0.4
279.65280	0.1
289.09317	0.1
343.11633	0.1
380.56461	0.1
397.14948	0.2
478.37625	0.1
479.19016	0.2
505.17010	0.2
523.18103	0.3
541.19080	3.5
542.19427	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	541.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	0.2
57.03419	0.1
60.39761	0.1
69.03407	0.4
69.07060	0.1
71.04966	0.2
71.82091	0.2
73.02872	0.1
81.03396	0.4
81.07037	0.2
85.02889	0.9
91.05426	0.1
95.08581	0.1
97.02860	0.4
99.04425	0.4
103.03951	0.6
107.08523	0.1
109.02847	0.3
109.06483	0.1
123.04420	0.1
127.03891	1.4
137.05943	0.1
145.04942	0.8
151.07558	0.2
153.01837	0.2
163.06012	0.2
165.01830	0.1
167.07030	0.2
167.10661	0.2
171.02943	0.2
179.03415	0.3
179.31223	0.1
187.06030	0.2
193.05002	0.2
204.22166	0.1
205.04929	5.5
206.05717	12.4
207.06384	0.4
220.07306	0.3
235.09618	100.0
236.09972	1.4
257.59171	0.1
271.07999	0.2
277.10776	0.3
343.11969	0.2
397.14819	0.2
479.18848	0.3
505.16992	0.2
523.17847	0.3
541.19348	3.0
541.28394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48972	0.3
56.96555	5.6
59.27959	0.2
69.58077	0.2
69.84687	1.7
71.95237	0.8
98.97068	1.2
98.97565	43.6
116.98604	52.2
117.98906	0.4
130.93262	0.3
134.99637	39.4
136.00089	0.3
140.00157	1.5
152.47957	0.2
153.00679	8.2
154.93329	0.6
158.01227	1.7
172.94341	1.1
176.02328	0.3
182.91122	0.2
190.95374	3.8
208.96461	2.6
214.95457	1.1
230.98372	0.3
232.96439	8.2
232.98749	0.4
234.99834	0.6
240.98845	1.0
248.94397	0.4
250.97525	6.8
256.96362	14.0
258.99741	7.5
259.99835	0.4
261.03055	0.7
266.95374	0.3
268.98831	0.3
269.25211	0.3
272.94379	0.6
273.99017	0.4
274.97470	100.0
275.97894	1.5
276.97873	0.6
277.00772	14.4
278.00977	1.0
279.00787	0.5
283.00009	0.8
284.00125	0.3
288.92258	0.4
290.95502	1.4
292.98520	80.1
293.98871	1.5
294.99017	0.4
297.99075	5.7
298.97662	0.8
300.02475	0.8
300.97775	0.3
301.00937	1.4
302.01184	0.6
303.00989	0.4
306.93143	0.3
308.96716	0.5
310.99594	0.8
314.95578	0.7
316.00076	3.2
316.98730	3.3
317.98825	0.7
318.98575	0.5
332.96555	1.6
339.01563	0.4
356.96860	0.5
359.00159	0.3
374.97934	1.5
382.99753	0.7
398.97549	20.4
399.97955	0.6
401.00983	3.0
414.95697	0.4
416.98630	59.6
417.99069	2.0
419.02118	0.4
432.96573	1.4
434.99719	12.3
440.00241	6.5
440.98849	0.6
444.02542	0.5
445.02130	0.5
456.96521	1.7
458.01468	0.8
459.00092	1.0
474.97476	0.9
498.98080	0.7
525.00720	0.3
540.98767	24.3
541.99353	1.6
556.96838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45657	0.4
55.86699	0.5
57.03429	0.9
59.33212	0.4
61.02913	0.7
65.03900	0.6
69.03428	2.3
70.97170	0.8
70.97572	1.0
71.04980	0.5
73.02911	0.4
73.64491	0.4
79.05486	0.8
80.60024	0.4
81.03394	0.9
81.07035	1.1
85.02892	8.4
91.05476	6.1
93.04182	0.4
95.04944	1.7
97.02879	1.7
98.70166	0.5
98.83419	0.4
103.05449	0.7
105.07032	0.7
107.04942	1.7
109.02837	0.4
109.06499	0.8
111.04430	0.8
117.07018	0.8
119.04931	4.7
119.08595	0.5
121.06497	1.7
122.03629	1.5
123.04347	0.5
123.08064	0.6
127.03917	1.0
128.06171	0.6
129.06981	4.5
131.04921	1.8
131.08508	0.9
133.06459	0.6
135.08023	1.8
136.05130	0.8
137.05957	28.4
145.04945	1.0
145.06479	1.4
149.05981	4.3
151.07520	38.7
157.06456	4.1
161.05978	4.6
161.09602	1.2
163.03925	0.5
163.07533	9.6
165.06978	1.5
165.09111	1.3
167.07152	0.7
167.08559	4.1
169.06570	0.4
169.26501	0.4
174.06714	2.0
175.07512	3.0
177.05490	0.4
177.09085	3.6
178.07748	0.9
179.08464	0.7
181.06433	0.5
182.07210	0.6
189.09074	13.7
192.09264	0.6
193.06467	1.3
193.10143	1.9
194.07176	0.6
195.08032	8.0
202.07776	0.6
203.08766	0.5
206.07254	0.5
207.08372	0.5
207.10138	2.9
209.09685	1.0
210.06662	1.4
211.07523	0.7
211.16898	1.2
212.08299	1.4
213.09093	0.5
221.05971	2.4
221.09515	2.9
221.11513	0.6
223.07494	4.2
224.08229	0.9
225.09103	2.7
227.10628	12.4
237.08994	1.0
238.06276	0.8
238.09918	0.4
239.06915	0.6
240.07729	1.3
240.41241	0.4
241.08589	0.5
241.12325	0.7
249.09030	2.1
252.07938	0.7
253.08528	4.3
253.12204	7.0
254.09506	0.5
255.10149	12.2
263.10831	0.5
266.09534	0.4
267.10074	2.0
269.08020	1.3
269.11792	1.1
270.08981	0.9
272.10339	1.6
275.12781	0.6
281.11694	3.2
284.10495	1.1
285.11200	8.0
287.12735	20.5
287.93530	0.4
297.11130	0.7
299.12741	1.6
301.14224	0.7
311.12805	1.0
313.11374	0.3
313.14282	17.4
331.15356	100.0
332.15704	0.8
343.15430	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	540.243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
61.02896	0.4
63.12743	0.2
65.09892	0.2
69.03431	1.4
71.81302	0.4
81.03393	0.6
85.02892	4.4
91.05467	1.0
97.02895	1.5
99.04455	0.3
109.02888	0.4
111.04427	0.2
115.05450	0.7
117.06998	0.6
122.03600	0.3
127.03864	0.8
128.06177	0.9
129.06984	6.4
131.04933	1.1
131.08549	6.7
137.05969	2.7
141.06970	4.8
143.08522	0.3
144.05672	0.5
144.67592	0.2
145.04933	0.9
145.06482	0.8
146.07227	0.4
149.05919	0.4
151.07472	0.8
157.06459	5.8
158.07259	3.0
159.08028	6.0
160.05199	0.7
161.05913	0.5
161.09563	0.7
163.07529	1.0
169.06474	3.0
170.07280	1.4
171.08015	0.3
173.05940	0.4
173.09604	0.3
174.06740	12.7
175.07544	2.7
175.08980	0.4
177.09094	0.3
180.08722	0.3
186.05232	0.4
186.06738	3.6
187.07520	0.5
188.08315	0.4
189.09082	24.6
190.09508	0.3
191.10695	1.9
201.09085	9.2
203.10654	0.3
207.10115	0.8
219.10135	100.0
220.10524	1.3
221.80728	0.3
237.11215	0.7
254.62950	0.2
287.05408	0.3
288.25378	0.2
331.15387	0.9
342.17947	0.2
377.01563	0.3
395.03329	0.3
491.02203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.39042	0.6
57.03434	0.7
57.83947	0.7
62.06067	0.8
69.03430	0.7
70.33569	2.9
85.02932	2.7
86.09679	0.7
86.80970	0.6
91.05466	2.2
93.07037	0.9
95.04927	1.0
95.08533	0.7
97.02875	1.6
103.05450	5.7
104.07033	0.7
105.06989	0.9
107.04962	0.5
117.06998	1.3
119.04909	1.6
121.06487	0.7
122.03621	1.3
123.08118	1.0
128.06230	0.7
129.07001	1.3
131.04915	13.5
133.06511	0.8
135.08038	1.0
137.04942	1.2
137.05960	22.5
138.06296	0.8
143.08565	0.7
145.06429	0.6
149.05972	1.6
151.07530	14.7
151.71323	0.6
157.06522	1.4
161.05984	3.3
162.06754	1.7
163.07521	43.2
166.81549	0.6
168.70505	0.6
171.08020	1.3
175.07541	4.3
175.89023	0.6
177.09091	100.0
178.09415	0.9
179.08481	0.9
189.09137	4.0
195.08055	1.5
195.10153	3.0
211.16762	1.1
221.05960	1.2
221.11703	23.0
223.07573	0.9
227.10611	3.9
253.08531	1.8
253.12244	1.7
255.10158	3.4
265.08633	1.7
281.11578	1.0
284.10358	0.6
285.11197	2.9
287.12738	4.4
297.91614	0.6
299.12762	1.1
311.12704	2.7
313.14368	4.5
331.15353	19.6
331.21368	0.7
343.15234	3.1
416.35385	0.6
428.90958	0.5
540.24805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90442	5.6
55.05512	5.8
55.93538	11.7
57.07068	7.3
57.47032	4.9
58.90831	4.9
65.20071	5.4
69.07060	13.3
69.68458	44.0
70.95848	9.7
72.93784	13.3
76.41862	5.2
81.07049	7.7
89.83139	5.1
90.94822	6.9
91.05453	7.9
92.06264	6.4
93.07034	9.7
95.08554	6.1
96.58514	5.0
104.99280	5.7
105.34173	5.5
110.07151	11.1
119.08598	9.9
121.10126	8.5
125.89756	5.5
166.97960	6.0
210.96861	5.5
212.98289	5.8
217.08694	9.5
224.98529	7.3
236.98538	7.1
242.99429	8.5
249.02057	6.1
252.97855	9.0
254.99480	8.4
263.00092	11.8
273.00662	5.7
277.01498	7.5
279.03232	6.9
289.01614	8.6
291.00119	8.9
291.03091	54.4
294.99023	15.7
299.85840	7.1
305.01129	17.9
305.08282	9.5
307.02719	12.0
307.99783	16.0
309.04181	14.0
311.29431	9.3
323.02179	15.2
323.09451	10.6
327.06400	6.5
329.08252	6.1
332.05820	9.8
343.06152	7.3
353.08231	10.1
360.83948	7.2
371.09787	10.5
373.11078	11.6
393.11456	9.5
395.12872	18.5
412.12888	7.4
413.14099	23.6
431.15427	32.6
441.17438	27.8
449.16150	10.7
454.17068	29.6
459.18274	31.2
481.20392	99.8
482.20099	14.8
499.21890	100.0
500.21033	6.7
517.22156	31.9
522.23376	27.0
540.23462	25.8
540.52991	9.8
550.73480	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	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.2
55.05504	23.0
57.03432	21.9
57.06808	2.8
57.07072	48.8
59.04990	4.5
67.05505	25.0
69.03397	2.9
69.07059	17.3
69.63734	17.0
69.64137	7.0
70.76937	2.6
71.04986	4.2
71.08619	33.1
79.05495	27.7
81.03394	12.1
81.06607	3.6
81.07048	37.6
83.01321	11.7
83.04980	12.8
83.08623	20.3
83.69039	2.9
85.02902	6.4
85.06565	2.9
85.10171	18.7
91.05460	15.8
93.07035	26.8
95.04958	9.3
95.08590	33.2
97.02876	3.1
97.06499	6.1
97.10162	11.0
98.73096	2.4
98.84647	2.5
99.26975	2.4
105.07021	13.5
107.04941	9.2
107.08580	16.2
109.06499	7.5
109.10172	13.9
111.04453	5.5
111.11745	2.6
117.06974	5.8
119.08588	10.8
121.06510	2.8
121.10114	12.0
123.08033	7.3
123.11697	5.2
131.08510	3.6
133.10098	4.1
135.11702	13.6
145.10086	17.0
147.07983	2.7
153.12782	4.7
155.08612	2.8
160.99319	3.0
163.11176	25.5
173.09587	4.7
181.37935	2.6
191.10687	7.3
209.11674	13.5
227.12708	10.1
239.23688	4.3
283.15375	94.9
310.98456	2.6
313.27362	100.0
325.97321	2.9
402.55426	2.7
427.80124	3.0
506.84314	2.9
521.38300	58.6
532.60498	3.1
539.39526	23.7
540.53247	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	537.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	2.2
53.03935	6.4
55.05497	14.0
56.49832	2.0
57.03430	13.2
57.03666	2.6
57.07066	34.4
65.03918	2.1
67.05495	49.3
69.07063	15.1
70.91326	5.9
71.08620	27.2
74.57917	2.1
79.05483	49.0
81.03396	3.9
81.07046	39.2
83.04977	12.7
83.08607	15.3
85.10178	13.2
86.90482	2.1
91.05462	39.2
93.07033	56.9
95.04966	15.1
95.08594	32.9
97.06479	3.1
97.10149	7.4
105.07018	29.2
107.04940	4.4
107.08592	12.0
109.06483	4.1
109.10151	9.1
117.07013	8.4
119.08559	15.8
121.06478	3.9
121.10079	3.1
123.08028	3.0
123.11687	4.8
129.06998	15.7
133.10127	9.3
133.39754	2.0
135.11678	4.4
143.08565	6.1
145.10091	6.7
147.11662	29.5
161.09590	4.1
161.13249	7.7
171.11671	23.3
189.12741	12.4
207.13792	30.1
239.23927	5.3
281.17459	57.9
281.29437	9.4
282.27832	19.7
295.37039	2.4
299.06210	2.2
299.30560	7.0
313.27325	71.1
519.40393	100.0
537.53259	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	537.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52265	2.5
50.80002	2.5
53.03932	5.3
55.01869	3.4
55.05502	14.6
57.03422	11.1
57.06799	2.9
57.07068	36.1
57.66807	2.5
59.13116	2.5
63.74657	2.4
65.03926	2.7
67.05494	41.5
68.75982	2.4
69.07066	16.4
69.57739	27.0
71.04987	5.3
71.08623	25.7
73.06550	2.5
78.09573	2.7
79.05482	49.5
81.03402	8.4
81.07042	42.9
83.04974	10.5
83.08620	12.8
84.93579	2.9
85.10157	13.3
91.05473	43.2
93.07040	47.0
95.04955	14.9
95.08606	33.6
97.10142	10.3
105.07008	29.7
107.04977	4.6
107.08569	14.5
109.06500	6.4
109.10145	9.4
111.08096	3.3
117.07037	5.9
119.08561	20.0
121.10126	6.0
123.08076	4.1
123.11716	4.7
129.06967	13.7
131.08640	2.5
133.10120	6.5
136.04753	2.1
139.34119	3.0
143.08546	6.8
145.10078	9.3
147.11685	26.2
161.09612	4.5
161.13254	10.5
171.11673	20.9
179.27777	2.5
189.12706	9.4
207.13782	30.2
277.25967	2.6
281.17441	50.6
313.27362	72.5
375.21640	2.7
377.17188	3.7
462.16943	2.9
519.40387	100.0
537.41553	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	537.3204
Annotation	Dihydrovitixanthin
Peak:m/z	Relative Intensity
53.03925	1.3
55.01860	0.9
55.05498	1.1
57.07058	0.4
65.69656	0.4
66.92034	0.4
67.05503	2.3
68.36627	0.5
69.07067	5.0
70.76842	0.8
70.77241	0.9
74.09692	0.7
75.81014	0.4
79.05484	1.0
81.03397	1.5
81.07040	2.2
83.08601	0.7
91.05467	0.9
93.07043	4.3
95.04948	3.3
95.08600	1.4
101.09258	0.5
105.03378	28.2
105.04488	0.7
105.07008	1.1
107.04957	0.9
107.08577	2.4
109.02863	2.5
109.10128	3.4
115.05431	0.4
115.81160	0.3
121.02767	0.4
121.06508	1.3
121.10103	0.7
123.04415	1.4
123.11664	2.0
123.68674	0.4
125.09550	0.5
129.06982	0.9
131.08488	0.4
133.10133	1.0
135.04411	1.0
135.08040	0.4
135.11665	4.2
141.01857	1.8
143.08484	0.4
145.94899	0.4
147.04381	0.5
147.08006	2.3
149.02367	0.7
151.03899	1.6
157.06461	0.5
159.04367	0.5
163.03947	0.9
165.01813	4.0
165.05460	0.6
167.03366	1.4
169.01312	1.0
173.05969	0.4
175.03868	0.4
175.07451	0.5
177.01807	6.1
177.05415	2.0
179.03410	0.8
181.04922	0.5
183.02838	3.0
187.07550	0.5
187.81664	0.4
189.05455	0.6
191.03374	23.5
195.02869	33.5
201.01862	0.6
201.05457	1.1
201.66153	0.4
203.03333	0.6
205.04967	0.7
209.04436	18.8
215.03372	2.4
215.06998	0.7
217.04930	0.6
219.02760	0.5
219.06532	0.9
229.05022	1.0
229.08562	3.4
231.06474	1.4
233.04433	1.1
239.07101	0.5
243.06508	12.2
245.08232	0.8
249.07552	0.5
255.06511	15.1
257.08148	2.1
261.07617	3.3
269.08057	24.3
273.14716	1.0
281.08066	1.1
281.11243	0.5
283.09650	1.0
285.12012	0.6
285.14847	6.5
293.08109	3.7
295.09650	6.6
297.11200	0.6
299.12747	4.9
309.11276	2.0
311.12766	1.7
317.13843	1.9
321.11166	7.9
323.12759	1.2
335.12534	0.5
341.21069	8.1
349.14404	0.6
359.17746	0.6
359.22113	4.0
365.17542	2.0
377.17438	100.0
378.17892	1.9
389.17538	0.7
395.18484	37.1
396.18896	0.6
413.19437	2.7
431.22125	3.6
433.23679	16.9
445.23715	6.1
449.23343	0.7
451.24796	1.7
463.24783	1.9
501.30292	0.5
537.38202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3202
Annotation	Dihydrovitixanthin
Peak:m/z	Relative Intensity
51.02358	0.6
53.03921	2.6
55.01868	0.6
55.05490	1.0
55.97363	0.6
57.07060	1.3
67.05498	1.4
67.93995	0.5
69.07059	4.2
69.87732	4.6
79.05453	0.9
81.03394	2.6
81.07021	3.0
91.05447	0.9
93.07014	2.7
95.04955	2.9
95.08601	1.5
105.03376	45.3
105.06948	1.0
107.08595	3.3
109.02869	7.6
109.10114	1.6
121.10150	0.8
123.11681	9.4
135.04391	1.1
135.11664	4.6
151.03795	1.5
163.03902	5.0
165.01851	3.9
167.03392	0.8
177.01793	15.6
177.05441	0.8
179.03464	1.0
181.04956	3.4
183.02933	3.3
191.03421	0.7
195.02861	100.0
196.03101	0.8
209.04344	0.6
212.06635	0.6
219.10139	11.4
231.06673	1.0
233.08141	1.3
243.06499	4.6
255.06479	71.5
256.06793	1.1
257.08005	1.4
259.34088	0.6
267.13641	0.7
273.14801	0.9
275.16327	2.4
281.11530	0.8
285.14853	1.9
295.09659	0.9
299.12863	1.6
303.15842	1.1
309.11111	1.4
310.69296	0.6
311.12720	32.8
312.12921	0.8
323.12784	1.7
337.14209	1.9
341.21066	5.5
359.16669	1.3
359.22183	2.5
365.17148	0.7
377.17410	51.0
378.17834	1.3
379.19046	5.9
395.18497	10.7
397.27423	0.8
407.18494	0.9
409.84628	0.7
431.21976	1.6
433.23715	9.6
445.23730	7.6
451.24588	1.7
463.24393	1.4
537.37634	1.4
540.43408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3206
Annotation	Dihydrovitixanthin
Peak:m/z	Relative Intensity
51.02366	1.1
57.07074	0.9
60.43193	1.1
61.87782	0.9
69.07055	3.2
69.66277	7.5
81.03401	2.3
81.07073	2.2
93.07014	1.1
95.04939	2.7
105.02667	1.9
105.03381	39.5
107.08535	1.8
109.02874	7.7
123.11733	7.5
125.28402	1.0
125.93580	0.9
135.11681	1.2
149.02348	1.2
153.58821	1.1
163.03937	5.0
165.01768	1.5
171.14398	0.9
177.01808	18.7
181.04997	1.9
183.02895	1.6
195.02878	100.0
196.03276	1.1
219.10114	10.9
231.06581	1.6
233.08008	2.2
243.06664	3.3
255.06506	77.7
275.16388	2.0
285.14798	1.6
309.11276	2.1
311.12747	59.3
323.12732	2.2
341.21054	5.9
359.22095	3.0
365.17661	1.3
377.17444	27.0
379.19000	11.0
389.17368	1.2
395.18463	15.7
433.23694	10.5
445.23828	6.0
451.24615	2.4
463.24783	2.0
537.36957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1961
Annotation	Phellavin
Peak:m/z	Relative Intensity
53.90427	0.4
55.01868	0.5
55.05501	0.6
57.03400	0.5
60.17734	0.5
61.19576	0.5
67.05482	0.9
69.03410	1.1
69.07056	17.9
69.20486	0.5
71.81435	0.9
79.05477	1.3
81.07030	1.7
83.08583	0.7
85.02879	1.1
86.10441	0.5
91.05444	1.2
92.66667	0.5
93.07031	1.2
95.04953	0.9
95.08586	2.3
97.02866	4.2
97.06498	0.8
105.07022	0.7
107.08571	0.9
109.10158	1.1
115.05461	0.8
119.08559	0.7
121.10165	0.6
129.00781	0.5
129.06984	0.6
137.05952	1.0
139.03894	2.9
151.03880	0.5
153.01793	7.3
155.41766	0.5
163.03883	1.0
177.05455	1.3
179.03329	0.8
187.03903	0.7
187.07669	0.6
191.06966	0.7
203.03249	0.8
203.07002	0.7
205.04982	4.2
205.08565	0.8
215.07019	1.1
217.04977	3.6
219.06456	1.9
229.04906	4.7
230.05742	0.7
231.02823	1.9
231.06474	8.4
233.04431	6.7
233.08096	2.1
241.04939	1.9
242.05534	0.7
243.06487	25.2
245.04494	3.5
247.05927	2.7
249.03944	0.8
252.95821	0.5
255.06512	4.1
257.04364	3.1
259.05975	9.6
261.03732	0.8
261.04617	0.9
261.07526	8.4
267.06488	1.1
269.04672	4.4
269.07898	5.2
271.05972	33.1
273.07452	1.3
276.34418	0.5
277.07031	1.8
279.06470	2.6
281.08008	1.2
283.05960	3.2
283.09601	2.2
285.07883	0.6
285.11047	0.9
287.05441	14.1
288.06223	2.0
289.07028	53.0
290.07407	0.7
293.08020	1.7
293.11542	0.6
295.06448	0.7
295.09525	2.8
297.07544	3.4
297.11200	4.0
301.07202	1.1
309.10983	0.8
311.09064	3.0
311.12723	8.1
313.10522	2.8
315.12192	1.4
321.11209	4.9
327.12076	1.0
329.13797	1.2
339.12201	14.7
339.18970	0.5
339.25085	0.5
357.13272	100.0
358.13544	1.0
375.14331	36.3
451.12674	3.0
519.18512	8.6
525.64752	0.6
537.19336	11.1
537.28540	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	537.1753
Annotation	3'-Methoxypannellin
Peak:m/z	Relative Intensity
52.90121	0.5
53.03920	0.7
55.05466	0.5
57.07044	0.7
67.05504	2.3
68.10349	0.5
69.03391	0.9
69.07066	2.3
70.06557	0.7
71.77990	0.6
74.09679	1.4
75.59605	0.5
79.01514	0.4
79.01842	3.9
79.05441	1.8
81.07036	1.3
85.52065	0.5
86.09676	0.9
91.05418	2.8
93.07006	2.2
95.04916	2.0
95.08565	0.8
97.06470	0.5
103.05459	4.5
104.10703	0.9
105.06978	2.0
107.04929	2.4
107.08572	0.5
109.06487	0.5
109.10141	1.0
115.05429	0.9
117.03291	0.5
117.06978	1.0
118.04109	2.2
118.96787	0.5
119.08557	0.8
121.06500	3.8
121.10080	0.7
123.04366	0.7
125.05975	0.9
125.09615	0.6
130.04092	1.8
131.04016	0.5
131.04918	6.0
132.05714	1.0
133.06441	0.6
137.05942	0.5
140.04601	0.9
142.01135	0.5
145.02722	1.0
145.06418	0.6
145.10077	0.9
146.03557	0.7
147.04414	1.0
147.08020	0.5
148.05147	1.8
149.05922	3.2
149.66092	0.5
151.03830	0.6
153.01749	1.0
159.04344	0.9
160.05161	1.2
161.05940	1.8
163.03873	0.6
163.07469	0.7
165.08885	0.5
167.05637	0.9
167.06960	4.5
171.08221	0.5
173.05933	0.9
175.03915	0.7
176.04636	3.7
177.05406	3.5
178.06262	1.1
180.07846	0.5
184.07352	1.2
187.03853	3.3
189.05414	0.8
191.07007	9.7
192.07799	2.4
193.08569	1.3
204.09012	0.5
205.85245	0.6
215.03343	2.6
217.04887	0.7
219.02832	5.8
227.12714	0.6
228.04033	1.0
229.05054	0.9
231.02821	5.4
241.90916	0.5
243.02863	100.0
243.66605	0.5
244.03326	2.2
245.04425	5.0
248.03102	1.2
249.03967	2.7
256.03784	1.0
257.04388	2.1
259.02371	2.3
260.03131	0.7
261.03848	1.2
269.04327	1.5
271.02338	44.4
272.03073	6.7
273.03897	24.2
274.04541	1.2
275.05499	0.6
285.03879	3.5
299.05780	1.1
299.09058	12.4
300.06158	0.7
300.09436	0.6
311.09061	1.0
315.04846	1.3
327.05029	1.9
327.08548	22.4
328.09216	1.2
329.10123	1.3
405.05933	0.7
418.06711	0.6
428.81607	0.5
431.07550	1.2
439.10385	1.0
448.07648	0.6
451.10306	5.5
463.10178	12.2
469.11224	10.7
481.11191	11.6
507.16525	2.7
519.16559	13.1
537.17523	97.3
537.30634	6.2
538.17773	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	537.1751
Annotation	3'-Methoxypannellin
Peak:m/z	Relative Intensity
53.03930	1.1
55.01865	0.6
55.05493	0.8
65.03918	0.8
66.04712	0.5
67.05492	2.2
69.03405	0.6
69.07066	0.5
70.12967	2.7
74.09711	0.9
76.07437	0.5
77.38407	0.5
78.04693	1.2
79.05483	5.0
81.07044	4.1
83.04983	0.5
85.33789	0.5
91.05466	6.8
93.07037	2.2
94.04163	1.3
95.04956	2.7
95.08555	0.5
103.05432	2.5
103.18568	0.5
105.03378	1.7
105.07010	2.0
106.04158	0.8
107.04935	4.3
107.08582	0.9
109.06503	11.7
109.10130	1.0
115.05433	0.5
118.04096	0.8
119.04947	2.4
119.08543	0.7
121.06500	1.6
123.03664	0.5
123.04393	3.3
124.05169	1.4
125.05930	0.5
130.04164	0.8
131.04912	4.1
131.08626	0.5
132.05693	2.0
133.02827	3.9
135.04399	0.7
137.05960	18.5
143.08568	0.6
145.06522	1.2
145.10167	0.6
147.04414	0.9
149.05957	2.0
152.04706	1.2
153.05434	0.9
160.05188	1.4
161.05922	1.0
163.07625	0.5
164.09377	0.5
165.05449	9.0
167.07019	32.9
176.04707	1.4
177.05408	2.8
179.07034	1.2
180.07875	0.8
185.09682	0.6
187.03844	1.0
189.05417	1.5
191.06975	3.5
192.07822	2.8
197.08040	4.5
203.03342	0.6
204.07773	0.7
215.03403	2.0
217.04927	1.1
225.05376	1.2
227.09024	0.5
229.04944	1.3
229.14299	0.5
231.02904	1.5
243.02823	3.2
245.04437	3.3
247.13336	1.0
253.04990	1.6
257.04391	2.2
259.02267	1.1
260.03256	1.2
269.04352	2.3
271.02390	5.6
271.05902	2.0
271.09576	0.9
273.03864	10.6
273.06552	0.7
274.04520	0.5
281.04642	1.2
281.08038	1.1
283.06158	0.6
285.03928	12.0
287.05484	0.6
297.03897	5.2
297.07068	0.7
298.04678	8.3
298.07730	0.9
299.05521	8.7
299.08939	1.0
300.06241	0.8
303.06525	0.7
309.03735	0.7
309.07300	0.7
311.05453	0.9
313.07001	0.8
315.05179	1.2
317.08142	0.7
327.04956	13.8
327.08533	1.6
331.06055	0.9
332.06757	1.6
334.04672	1.0
335.05371	1.0
339.08713	0.6
341.10159	0.6
342.05060	0.6
343.06076	1.6
344.06958	0.7
345.07520	1.4
347.05319	1.1
348.06381	0.6
355.06168	0.8
356.06808	2.2
357.07568	1.6
359.05417	3.5
360.06216	3.6
361.07135	0.9
371.05515	7.2
372.06351	1.5
373.06952	5.2
374.07938	0.8
377.06833	0.9
383.05276	1.1
384.06238	3.2
385.06964	4.9
387.04776	5.5
388.05774	5.3
389.06415	1.1
399.05008	1.8
400.05478	0.9
401.06613	4.6
402.07474	2.8
403.08060	6.4
405.06049	1.2
412.05783	1.3
413.06580	2.0
415.04611	1.4
416.05078	3.9
417.05896	1.1
419.07578	1.6
429.06110	2.2
430.06912	4.4
431.07654	4.4
432.04556	0.7
433.05475	2.2
435.06760	0.8
445.09262	0.8
447.06894	3.3
448.07950	3.3
451.10394	2.0
463.10123	16.7
481.11264	52.6
482.11975	0.7
507.16354	2.3
507.23010	0.6
519.16504	15.8
537.17511	100.0
538.17877	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.0
56.68835	3.0
57.07069	41.4
60.08148	8.8
63.27491	3.4
67.05493	7.8
69.03432	5.6
69.07062	28.8
69.89719	24.3
74.06060	13.8
74.09708	91.2
79.05491	9.2
81.07048	14.7
83.01321	9.7
83.08573	4.0
85.06539	9.8
86.09693	11.1
91.05410	5.6
93.07047	21.6
95.04958	7.5
95.08566	6.7
97.06532	4.4
105.03387	8.9
105.07023	16.0
107.08571	17.8
109.10127	9.5
119.08584	10.9
121.10126	100.0
123.08060	6.3
123.11671	3.7
125.00007	6.9
127.03895	14.1
131.08531	4.7
133.06476	9.4
133.10153	10.4
135.07951	4.2
135.11668	13.7
145.06520	5.5
145.10130	12.6
147.11685	6.4
153.05443	4.1
159.08025	4.7
161.09602	7.1
163.11183	27.2
167.05531	7.7
173.09607	29.9
173.13141	4.4
184.07312	23.9
185.08076	23.4
187.07521	3.9
189.16302	4.2
191.10648	11.9
195.02824	18.8
196.03178	8.3
197.13194	4.9
203.14331	4.8
206.70262	3.1
209.08064	7.3
209.11667	7.8
215.10620	3.7
229.08656	6.0
229.12271	12.4
233.15395	6.8
235.09717	3.4
243.13872	5.3
247.13284	32.0
253.10564	6.6
255.06511	7.9
256.06729	5.9
259.13388	3.7
265.94449	3.6
271.13333	22.3
271.20560	5.3
289.14389	11.2
289.21521	6.2
299.06128	18.2
303.15787	18.5
315.19519	65.7
315.22916	5.3
321.16901	10.2
339.19437	9.3
355.18970	12.5
355.88712	4.0
357.20728	4.8
371.22134	8.2
373.20050	75.4
377.17264	7.4
386.38727	4.0
389.23239	10.1
394.17032	6.9
405.22794	18.5
415.03467	4.6
423.25104	7.2
441.26456	20.9
459.27386	5.5
473.28851	8.1
491.29810	6.2
564.86853	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	536.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.0
57.07073	29.8
61.86684	2.0
67.05510	4.6
69.03416	2.0
69.07058	7.7
69.59322	9.1
69.59743	10.7
74.09743	1.9
79.05499	4.4
81.07045	5.9
83.01331	16.9
83.08633	2.6
85.02901	3.7
85.06528	4.8
91.05417	3.0
91.05840	2.2
93.07033	12.7
95.08591	3.6
98.20664	2.2
99.04415	3.7
105.03375	2.1
105.07015	13.6
107.04932	2.2
107.08589	4.8
109.06474	1.7
109.10124	4.1
119.08579	5.4
121.06533	2.3
121.10136	84.5
123.08057	5.2
133.06464	3.5
133.10115	3.5
135.07898	1.8
135.11711	5.3
143.08578	2.7
145.10095	11.3
147.08044	2.5
149.09610	2.2
151.03903	2.2
157.10170	2.6
159.11717	3.9
163.11195	6.8
167.05600	3.9
169.04936	2.1
171.08051	5.1
173.09622	23.3
173.13338	1.9
175.11256	2.7
183.11684	4.4
185.08119	3.8
187.11195	2.6
191.07007	2.3
195.02856	2.7
197.13284	3.2
201.09094	12.2
201.12849	2.9
209.08040	3.8
211.11172	2.1
215.10727	3.0
225.12682	4.8
227.74413	2.1
228.11433	4.4
229.08592	28.0
229.12117	13.6
243.13786	29.4
253.12271	4.4
256.06961	2.2
271.13269	100.0
272.13699	3.2
281.50751	2.1
289.14331	27.7
299.06198	9.4
303.15942	26.5
339.19482	11.5
355.18845	6.0
357.20535	2.2
371.22211	4.7
373.20081	29.0
387.21249	2.2
405.17844	3.6
405.22708	44.8
406.23172	2.0
441.26242	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	536.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93771	0.2
55.05507	0.3
56.05033	0.6
57.03432	0.2
57.17157	0.2
58.06604	0.4
59.81738	0.2
60.08154	5.2
67.05494	0.7
71.07359	2.3
71.79439	0.2
71.79881	0.2
72.08099	0.2
73.56661	0.1
74.09704	0.2
79.05480	0.5
80.48098	0.1
81.07054	0.8
86.09690	27.4
87.10014	0.2
91.05822	0.4
93.07031	0.4
95.04948	0.4
95.08582	0.4
98.98438	2.3
104.10728	3.2
105.06996	0.4
107.08571	0.3
109.10094	0.2
119.08604	0.4
124.99982	17.5
131.43852	0.2
142.03192	0.2
143.01060	0.3
167.05518	0.3
171.69717	0.2
184.07309	100.0
185.07558	0.4
258.10980	0.3
299.06033	0.7
344.22433	0.2
368.97647	0.2
500.31082	0.9
518.32330	8.3
533.22437	0.2
536.16376	0.2
536.31335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99693	0.7
51.83578	0.8
55.05503	1.9
57.03429	2.7
57.07057	1.5
58.23001	0.7
59.04966	1.2
59.07708	0.8
60.94795	0.8
61.90176	0.9
67.05502	2.8
69.03428	9.2
71.60538	1.6
75.04431	0.9
79.05479	1.9
81.07047	6.7
82.01419	0.7
85.02896	41.2
86.06047	0.8
87.04466	6.9
91.05469	3.2
93.07028	2.6
95.08591	2.7
97.02885	9.1
105.07009	6.8
107.08579	1.8
109.06483	2.0
109.10130	3.9
115.03921	10.5
115.07548	0.8
116.10705	1.5
117.06957	1.2
119.08562	9.6
121.10098	3.3
123.04370	0.9
123.08097	1.6
123.11691	43.5
125.05950	2.8
127.03886	1.7
129.07025	0.8
130.10123	0.8
131.08502	2.1
133.04950	8.9
133.06500	3.9
133.10098	1.6
137.05917	1.0
142.08691	1.4
143.08594	1.1
145.04935	1.0
145.10088	13.7
147.04428	1.2
147.08049	2.2
147.11676	21.9
149.09570	4.1
151.03938	1.1
151.07544	1.8
154.85371	0.9
156.09366	2.5
161.13210	1.1
165.12775	1.3
171.11676	3.8
174.10381	1.1
177.05367	1.4
189.12730	100.0
205.04822	1.2
207.13789	40.7
212.16447	3.5
225.14824	15.8
230.17474	1.4
295.10379	1.6
299.06155	2.6
321.17047	1.8
374.21616	1.7
400.82718	0.8
471.56342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.9
54.87325	1.0
55.01863	1.4
55.05510	6.4
56.05030	1.1
57.03419	3.0
58.99574	12.7
59.04997	1.7
64.54383	1.2
67.05501	6.9
69.03426	11.1
69.07056	4.4
70.06570	1.2
71.04974	2.2
71.80748	1.7
74.00645	2.7
74.09737	1.0
76.02220	82.2
76.03989	3.3
78.55968	1.0
79.05475	5.8
81.03407	22.9
81.07039	11.0
83.04966	8.1
83.06078	1.6
83.08600	6.3
84.04495	21.5
85.02885	7.8
85.04002	2.5
85.06516	2.0
86.99049	3.6
87.04472	5.1
91.05437	7.0
92.01689	1.9
93.07040	4.4
95.04971	8.7
95.08602	5.0
97.01096	1.5
97.02891	8.1
97.06512	3.7
97.10145	1.7
99.04463	1.8
99.05527	1.2
104.06903	1.1
105.07010	10.1
107.04958	2.7
107.08575	11.4
109.06499	5.9
109.10094	1.9
111.04382	1.4
111.08055	4.4
113.03419	1.2
115.03905	6.2
116.01672	19.3
117.06174	1.0
119.04921	1.3
119.08569	6.0
121.10113	7.4
123.04415	4.4
123.08064	8.4
123.11742	1.5
125.09608	3.0
127.03884	1.6
129.06955	3.0
130.04982	17.5
131.04623	1.2
131.08589	5.0
133.04973	5.1
133.06493	1.2
133.10109	4.0
137.05934	3.0
137.09615	1.3
137.13165	1.6
142.03174	9.7
144.01123	13.5
147.04483	1.7
147.11665	9.9
149.03749	1.2
149.09608	9.2
150.05428	1.3
150.07619	1.3
151.03882	3.0
151.07512	7.5
153.06493	1.1
156.09201	1.0
157.10127	4.2
162.02188	43.4
163.11180	1.5
165.05447	11.6
165.12744	7.9
167.05476	1.8
167.10678	3.4
170.02678	1.9
175.11147	3.5
177.03265	11.8
177.05455	1.3
179.04831	76.4
179.14255	3.7
183.13799	3.8
187.05336	1.5
189.12718	6.6
193.08664	1.1
193.12219	16.3
204.06445	1.2
207.06352	1.2
207.13776	27.2
211.13268	25.8
215.04817	2.1
217.15759	1.0
225.14816	7.1
231.04532	1.0
233.05878	19.2
245.05966	3.0
250.12479	1.3
274.52139	1.1
291.06598	1.9
299.06003	4.0
306.07416	2.1
308.09061	100.0
317.06827	1.0
317.10126	5.3
416.80011	1.1
518.21539	2.3
536.23761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.0
55.05509	3.4
57.03420	4.5
57.07072	17.0
61.02904	3.9
67.05482	3.0
69.03420	9.7
71.54840	5.3
73.02922	3.0
75.33398	2.0
79.05473	4.7
81.03406	7.1
81.07058	4.2
84.04478	2.8
85.02895	38.5
85.06520	9.6
86.09712	2.3
91.05447	4.3
95.04962	2.9
97.02867	8.9
98.20752	2.0
99.04454	3.2
103.03922	3.5
103.05476	6.4
103.18725	1.8
105.07014	2.3
107.04935	6.4
107.08549	2.1
109.02856	6.9
109.06483	6.2
119.04913	4.5
121.02898	3.6
121.06468	2.0
123.04415	9.6
127.03876	6.0
129.06903	2.1
130.04967	2.3
131.04906	8.7
133.06458	2.6
135.04413	11.2
137.05980	21.5
138.06235	3.0
139.03880	4.7
145.06424	2.4
147.04388	34.2
147.07779	3.4
149.05989	4.0
151.03879	12.0
153.05463	2.6
155.03360	4.9
159.07979	2.4
161.06004	9.8
161.09622	3.8
163.03894	13.5
163.07567	15.9
164.08284	3.0
165.05507	11.8
167.07085	2.6
171.04428	2.7
173.06073	3.8
175.03862	15.3
175.07462	2.9
177.05417	4.9
179.03365	14.7
181.04938	3.7
185.06036	2.9
187.07497	4.2
189.05394	5.9
189.09084	13.5
191.03387	30.7
191.06989	3.5
193.04967	17.5
193.12292	1.9
201.05467	5.7
203.03358	4.0
203.07037	3.0
203.10693	3.8
205.08640	23.3
207.06514	3.9
209.08138	3.6
211.09674	24.6
213.05420	2.4
217.04897	6.8
217.08580	17.3
221.04416	5.0
223.09630	53.9
229.08539	6.1
231.10144	6.7
235.05934	4.4
235.09633	93.7
247.06096	7.1
247.09592	7.2
249.07419	2.4
249.11148	10.3
253.08060	4.9
253.10677	86.4
255.09981	2.6
259.05887	2.6
259.09717	10.2
261.11151	2.5
265.10727	2.5
271.09677	18.0
273.11185	4.5
274.79053	2.1
277.10675	100.0
283.09647	8.7
287.05344	2.4
288.16135	2.0
289.10693	67.4
298.84988	2.4
301.10672	34.4
307.11865	16.5
319.11713	37.0
337.12830	42.3
343.08090	5.2
355.13898	46.1
361.12506	2.5
367.14148	2.7
373.15054	16.3
374.22049	2.3
433.14948	2.7
481.17081	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	535.3048
Annotation	Aristophenone A
Peak:m/z	Relative Intensity
55.05501	4.2
56.43445	1.9
57.07073	2.1
57.32224	1.8
59.06116	35.7
67.05482	7.1
69.07059	10.9
70.55618	1.9
71.04964	2.4
71.60586	4.5
79.05473	5.1
81.03407	3.5
81.07040	8.0
81.75264	1.9
83.08588	2.6
91.05442	3.7
93.07032	5.8
95.04952	5.0
95.08591	6.0
105.03382	45.3
105.07011	5.4
107.08582	4.0
109.02849	9.9
109.10146	7.8
117.07039	2.4
119.08560	3.9
121.06425	2.4
121.10121	9.2
123.11663	2.2
127.11204	3.8
129.03375	9.8
131.08473	2.1
133.10109	3.2
139.11151	2.6
143.10696	2.8
145.10123	2.1
151.11172	3.7
169.01300	6.6
169.06462	3.1
172.00740	1.9
173.09729	2.0
177.01831	12.6
183.02904	2.7
195.02864	100.0
197.09575	3.1
211.11223	3.4
219.10152	3.5
229.04933	4.3
233.08205	2.6
237.05434	8.7
243.06390	3.1
249.07607	2.1
255.06503	55.2
256.07050	2.2
269.07834	3.4
283.03110	1.9
297.11221	9.9
299.06213	3.4
311.12659	26.8
339.13831	2.4
357.14880	17.4
357.19064	2.4
357.20612	2.0
375.15820	17.3
375.21448	4.9
379.19165	2.2
393.16895	15.5
394.30344	4.5
411.17963	38.7
413.20874	2.8
431.22095	30.4
449.23203	22.5
535.35870	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	535.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.4
57.03423	8.4
57.07056	10.4
61.02903	4.1
65.03931	4.3
67.05498	10.9
69.03428	13.3
70.06590	3.5
70.15721	4.3
70.16138	8.2
71.04973	2.8
76.24663	2.3
81.03405	9.6
83.04984	2.7
84.08105	3.1
85.02898	33.9
85.06535	23.0
86.83549	2.3
91.05499	4.0
95.04987	2.3
97.02888	11.5
103.03936	6.4
107.04971	4.3
107.08537	2.3
109.02862	6.5
109.06509	4.5
111.04415	2.6
121.02832	3.0
123.04376	8.0
123.08075	3.4
127.03918	10.8
127.07517	3.6
130.04988	5.7
131.04898	2.7
133.02856	2.5
133.06511	2.5
135.04408	13.7
135.08084	2.9
137.05946	7.3
139.03897	8.9
145.04939	5.0
145.06422	3.4
147.04384	29.2
147.07904	3.2
149.05988	3.4
151.03902	9.2
161.05951	6.8
161.09567	5.7
163.03906	28.3
163.07504	4.4
165.05556	2.8
171.08069	2.8
173.05937	2.6
175.03862	2.6
175.07556	10.5
177.05446	8.3
177.09068	3.5
179.03342	4.1
181.04921	6.4
187.07451	3.7
189.05443	5.2
189.09105	24.7
191.03429	6.3
191.06973	5.0
192.07779	3.6
193.04942	6.5
193.08624	8.7
197.05954	2.5
199.07500	4.9
201.05464	3.1
203.06973	5.4
203.10654	3.7
205.08566	31.0
211.07838	4.1
211.09676	15.3
213.05533	3.0
213.09111	4.4
215.07016	2.9
217.04993	3.4
217.08553	43.5
223.09616	44.3
229.08527	10.7
231.10114	10.3
235.09639	100.0
241.08553	3.3
243.10202	5.1
247.05963	8.1
247.09663	7.1
249.11292	3.1
253.10698	82.4
255.10146	3.1
259.09589	20.0
266.35959	2.5
271.09625	21.3
273.11154	4.6
277.10690	92.0
283.09680	14.6
289.07404	3.4
289.10672	57.4
297.07562	2.9
301.10724	33.6
307.11722	18.0
319.11731	45.8
331.11578	3.0
337.12848	43.0
343.07986	4.6
343.11725	4.6
355.13913	54.3
367.13986	3.9
373.14944	18.8
385.13013	4.1
421.14590	3.0
433.14832	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	535.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05497	0.3
58.10496	0.3
64.21109	0.3
64.37780	0.3
67.05478	1.0
69.03403	1.0
69.07056	4.0
69.68384	0.3
70.28297	1.5
73.96190	0.4
79.05482	0.7
81.03407	0.7
81.07037	1.3
83.04961	0.4
85.02880	2.7
87.04411	0.3
91.05473	0.7
93.07035	1.1
95.04963	0.7
95.08565	0.6
97.02870	0.8
97.35206	0.3
105.07018	0.7
107.04935	0.5
107.08575	0.7
109.02869	0.6
109.10153	0.3
111.04425	0.3
119.08575	0.5
121.10098	0.6
123.04468	0.5
123.43610	0.3
125.03246	0.3
127.03901	0.9
130.22662	0.3
131.08568	0.4
133.10141	0.3
137.05933	1.0
145.04919	1.1
151.03902	1.4
153.01759	0.3
167.06999	0.7
173.06000	0.3
175.07458	0.3
193.77570	0.3
201.05490	0.4
203.06941	0.6
211.13049	0.4
213.05406	1.7
216.04079	0.4
217.04929	0.3
227.12805	0.5
231.06476	4.5
235.09656	1.0
240.04153	0.7
241.04926	2.6
243.06364	0.8
244.03662	0.5
245.04317	0.6
258.05466	0.3
259.05981	6.7
269.04367	4.1
271.05872	1.9
272.03116	0.4
275.05533	0.4
283.09750	0.3
287.05453	100.0
288.05786	1.1
299.05463	12.4
303.04773	0.4
305.06516	38.9
311.01990	0.4
317.06445	1.4
337.27206	0.6
355.11731	5.2
373.12775	5.3
381.01923	0.3
406.46567	0.3
449.10773	0.4
467.11661	1.2
469.48560	0.3
535.26276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05497	0.3
58.10496	0.3
64.21109	0.3
64.37780	0.3
67.05478	1.0
69.03403	1.0
69.07056	4.0
69.68384	0.3
70.28297	1.5
73.96190	0.4
79.05482	0.7
81.03407	0.7
81.07037	1.3
83.04961	0.4
85.02880	2.7
87.04411	0.3
91.05473	0.7
93.07035	1.1
95.04963	0.7
95.08565	0.6
97.02870	0.8
97.35206	0.3
105.07018	0.7
107.04935	0.5
107.08575	0.7
109.02869	0.6
109.10153	0.3
111.04425	0.3
119.08575	0.5
121.10098	0.6
123.04468	0.5
123.43610	0.3
125.03246	0.3
127.03901	0.9
130.22662	0.3
131.08568	0.4
133.10141	0.3
137.05933	1.0
145.04919	1.1
151.03902	1.4
153.01759	0.3
167.06999	0.7
173.06000	0.3
175.07458	0.3
193.77570	0.3
201.05490	0.4
203.06941	0.6
211.13049	0.4
213.05406	1.7
216.04079	0.4
217.04929	0.3
227.12805	0.5
231.06476	4.5
235.09656	1.0
240.04153	0.7
241.04926	2.6
243.06364	0.8
244.03662	0.5
245.04317	0.6
258.05466	0.3
259.05981	6.7
269.04367	4.1
271.05872	1.9
272.03116	0.4
275.05533	0.4
283.09750	0.3
287.05453	100.0
288.05786	1.1
299.05463	12.4
303.04773	0.4
305.06516	38.9
311.01990	0.4
317.06445	1.4
337.27206	0.6
355.11731	5.2
373.12775	5.3
381.01923	0.3
406.46567	0.3
449.10773	0.4
467.11661	1.2
469.48560	0.3
535.26276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.1
57.03424	7.1
57.07069	10.8
58.06588	13.1
60.08148	3.8
61.02916	3.8
67.05494	86.0
69.07049	35.1
69.76983	24.1
71.07359	4.0
71.08618	6.0
74.09718	3.7
79.05477	17.9
81.07044	100.0
83.08604	22.5
85.02905	4.4
85.06517	5.4
86.09695	10.4
91.05465	20.9
93.04079	3.4
93.07020	30.2
95.08586	84.4
97.02863	4.1
97.06538	8.3
97.10160	19.1
97.10696	3.2
99.08067	3.5
104.10718	29.6
105.03381	3.9
105.07021	13.3
107.08560	22.9
109.10146	43.5
109.65808	3.2
111.08071	3.9
111.11704	2.9
112.61138	2.9
113.09561	3.5
119.07836	2.9
119.08551	18.4
121.06348	2.8
121.10130	25.8
123.11674	22.3
125.00005	10.2
132.29712	2.8
133.10127	15.2
133.17578	2.8
135.11668	14.1
137.13237	8.1
141.12723	4.2
144.17406	2.7
147.11671	10.0
149.13232	9.0
151.14786	6.6
155.14288	4.1
161.13231	16.7
163.14790	8.8
165.12701	3.2
165.16365	7.4
167.07080	3.0
175.14842	8.6
179.17970	9.4
181.15799	3.8
184.07338	25.9
189.16391	6.3
191.15582	3.0
245.22621	66.2
263.23645	93.9
337.27289	71.8
355.28430	8.3
534.35565	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	533.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15166	0.7
55.05499	1.1
60.27403	0.5
65.05509	0.8
67.05482	2.4
69.07057	13.3
69.49245	7.4
77.13100	0.6
79.05472	1.6
81.07044	12.7
93.07014	1.8
95.04945	1.4
95.08617	3.1
105.03379	8.6
109.10120	1.5
123.11672	1.9
135.11649	0.7
164.23688	0.7
165.01840	0.7
183.02907	1.2
191.03401	3.6
195.02898	7.3
201.05392	2.7
209.04439	3.6
229.04921	14.9
241.05081	1.3
243.06531	3.0
255.06552	3.9
257.04413	29.0
269.04651	1.3
269.08063	4.1
273.03854	1.9
285.03894	100.0
286.04553	2.2
287.05606	0.8
293.08115	0.9
294.05481	0.7
295.09610	1.3
297.03888	1.3
299.05408	4.7
301.73672	0.7
311.05444	1.0
311.12845	1.0
313.06970	2.7
313.10577	1.5
317.13733	1.0
321.11136	1.9
323.08759	1.1
325.07126	0.7
327.08524	1.8
327.12173	0.7
335.09027	1.1
339.08517	1.8
341.10150	44.4
341.21112	1.1
353.10214	3.1
355.11786	1.3
365.17459	1.1
369.13193	0.9
377.12717	1.4
377.17426	22.4
391.15149	1.0
395.14996	0.7
397.16418	41.2
409.15918	9.1
409.20380	2.0
433.23779	3.3
447.21799	1.5
465.22656	62.1
466.22894	0.8
474.70331	0.8
533.28955	0.9
533.38629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61798	0.3
55.01865	1.6
61.01149	1.6
61.02893	0.3
62.20164	0.3
67.05463	0.3
68.99780	2.5
69.03413	1.0
69.07037	0.4
69.93947	1.9
70.06590	0.4
71.01323	0.5
72.04510	4.3
73.02883	0.5
73.89115	0.4
78.03780	2.9
79.05476	0.5
81.07021	1.0
84.08128	0.6
85.02911	0.8
85.06520	0.5
86.06039	1.7
88.02200	2.7
91.05469	0.6
93.07030	0.6
94.72672	0.3
95.04950	0.3
97.02887	4.5
98.03180	0.4
98.06053	0.6
99.05557	1.1
101.31886	0.3
102.03756	4.8
107.04949	0.8
109.10145	0.3
114.03739	0.9
115.08652	1.8
120.04820	0.5
121.02879	0.4
123.04431	0.7
124.07589	0.7
125.07087	0.4
127.03909	0.5
128.06180	0.6
129.06982	1.4
131.06358	2.7
131.08556	0.7
132.04761	4.2
133.02795	0.5
137.02281	0.6
139.03896	1.4
141.06906	0.5
142.08589	2.7
143.08549	0.8
149.07422	22.4
152.06232	1.0
153.06961	4.1
157.06465	5.7
159.05843	1.5
159.08105	0.6
163.03847	0.6
163.90840	0.3
165.06995	0.9
169.06400	0.4
171.08063	2.6
178.04959	3.4
181.06464	12.2
182.07114	0.4
184.05225	0.4
184.09671	1.2
185.05966	3.5
187.07544	2.0
199.07523	7.7
209.05951	3.5
210.06708	0.7
213.05455	7.3
220.89519	0.3
226.06161	0.6
227.06999	15.5
229.04691	0.4
237.05443	2.1
243.11591	0.6
255.06488	100.0
256.06796	1.4
261.12653	28.4
272.09241	0.4
274.70212	0.4
284.09198	3.1
285.03955	0.5
316.35907	0.3
326.10165	10.3
403.13193	4.0
515.18335	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01855	1.1
55.05506	1.4
57.03429	4.8
57.07048	3.4
61.02890	3.3
67.05504	4.9
69.03419	17.6
71.04987	4.2
73.02908	5.6
81.02960	1.4
81.03407	21.8
81.07036	1.7
82.23929	0.7
83.04952	1.7
85.02891	53.4
85.06041	1.2
85.06527	14.3
87.04424	2.2
93.07010	1.6
97.02874	34.7
98.21504	1.7
99.04440	43.1
103.03925	44.8
104.03476	0.8
107.08601	1.4
109.02860	26.2
111.04469	0.8
111.18403	0.7
115.03905	1.7
117.06992	0.8
121.10091	1.0
123.11614	0.9
125.02338	0.9
127.03897	100.0
128.04227	0.9
139.03897	7.7
143.03369	3.6
145.04936	40.4
149.02298	1.7
149.09523	0.8
153.05447	7.8
163.03925	1.2
163.05977	10.4
165.05513	1.0
167.03383	3.5
167.07021	3.4
169.04973	3.9
171.02763	1.3
173.05948	1.7
179.03380	1.6
181.08540	2.3
185.04436	2.9
187.05963	6.6
187.07498	1.2
187.09445	1.7
191.03380	2.1
191.06976	7.1
199.06056	0.9
203.17793	0.8
205.04854	1.1
205.07063	2.0
209.04526	2.0
209.08095	13.6
227.09109	67.7
229.10680	1.1
233.04362	4.0
233.08067	1.6
251.05534	4.8
251.09059	3.7
253.07031	1.7
262.61099	0.8
269.10223	4.7
271.08087	9.7
289.09058	2.9
293.10211	3.3
317.10300	1.7
318.21417	1.5
335.11096	1.2
336.22250	1.1
353.12680	0.9
385.14117	0.8
419.32666	1.0
445.20532	8.5
518.46210	0.9
533.25616	34.1
533.34143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
57.07069	1.5
67.05493	5.2
67.30499	0.7
69.07065	9.6
69.48404	9.3
79.05481	2.4
81.07052	8.3
83.01312	2.2
83.08591	2.0
87.04456	2.8
91.05457	3.5
93.07030	6.0
95.08585	2.9
105.00033	1.1
105.07009	2.0
107.08572	5.9
109.02814	0.8
109.06512	1.8
109.10127	1.7
121.06466	2.5
121.10109	2.3
123.11692	16.3
127.03918	1.1
131.08557	2.0
133.10081	1.1
135.08026	4.5
135.11685	9.9
137.05954	2.4
149.09613	3.7
153.05424	4.4
159.08002	4.0
162.06747	3.6
163.07545	8.0
165.05463	63.2
177.09071	10.5
187.07509	3.7
190.06342	0.9
203.06995	1.1
205.08586	64.1
211.09589	2.2
219.10179	2.1
221.08223	2.0
221.11711	33.2
223.09625	100.0
287.16382	35.0
291.15845	14.4
305.17249	4.6
327.19263	1.0
343.19254	1.9
343.22665	4.5
345.20581	43.8
357.20532	10.2
363.21710	4.4
375.21191	1.2
387.25064	1.3
413.26645	5.5
431.27722	0.9
445.29346	1.2
531.40527	5.0
535.21423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01866	2.1
55.05493	1.6
57.03429	8.8
59.04993	0.5
61.02916	1.5
65.03931	0.8
69.03424	4.6
69.07063	3.6
69.68924	1.9
71.01358	1.0
71.04984	0.3
71.08625	0.5
72.04508	0.3
73.02910	6.0
79.05484	20.9
79.80198	0.2
81.03413	0.9
81.07046	100.0
82.07370	0.4
85.02894	8.7
87.04456	0.6
95.04963	1.5
97.02879	5.8
98.20769	0.3
98.55545	0.2
99.04456	0.6
99.08081	44.4
103.03919	0.7
105.03378	9.5
109.02868	0.6
115.03931	3.0
117.09057	0.3
118.88643	0.2
123.03513	0.6
123.04412	10.5
127.03910	2.8
132.06538	0.8
133.04956	3.4
145.04944	3.2
150.07619	1.0
163.06010	0.7
199.06067	0.3
203.10655	2.7
221.11708	44.3
222.12006	0.5
223.05922	0.3
241.07030	0.5
259.08084	0.6
381.97617	0.2
421.07693	0.2
421.44296	0.2
483.58899	0.2
493.62415	0.2
544.72186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01870	3.4
55.05505	24.2
57.03425	12.5
57.07064	5.9
60.32153	1.8
65.03930	3.3
67.05494	61.2
69.03435	2.4
69.04569	2.1
69.07061	23.8
69.60779	8.3
69.61211	7.8
71.04996	4.6
79.05483	44.0
81.03397	2.8
81.07046	54.5
83.04961	5.5
83.08609	11.1
83.14994	1.8
85.06527	6.0
90.91226	1.9
91.05471	41.2
93.07030	55.3
95.04966	5.6
95.08595	37.3
97.06526	11.9
97.10168	6.9
105.07020	42.5
107.08574	38.6
109.06506	5.0
109.10146	25.4
111.08059	4.6
117.07008	16.5
117.25122	1.8
119.08559	35.7
121.06561	4.1
121.10128	22.5
123.08068	5.0
123.11700	6.8
125.09619	5.6
129.06987	16.0
129.17311	2.2
129.41757	1.8
131.08551	30.8
133.10104	34.5
135.08058	3.5
135.11676	29.9
139.11194	2.1
141.06961	3.1
142.07794	2.0
143.08557	18.7
145.10107	33.5
147.08025	2.6
147.11670	23.5
149.09596	3.2
149.13235	8.6
151.11139	3.1
155.08537	7.8
157.10118	21.3
158.10817	2.5
159.08054	3.4
159.11673	28.2
161.13245	21.5
163.11183	5.0
163.14821	2.4
167.08574	2.1
169.10120	13.8
171.11655	18.8
173.13258	17.7
175.11346	2.7
175.14832	7.7
181.08551	3.1
181.10077	3.0
181.12215	4.6
183.11671	9.8
185.13231	12.5
187.14786	9.1
195.11694	6.0
197.13249	8.2
199.14801	7.0
201.16367	3.1
207.11758	2.4
209.13281	3.3
211.14862	6.4
213.16411	3.9
215.18149	2.2
223.14821	2.2
225.16403	3.8
227.17920	2.8
231.21211	2.1
241.19496	14.1
243.21280	2.2
253.14284	6.2
255.15822	24.9
257.18930	2.6
259.20535	31.7
261.22107	7.1
283.20673	2.0
285.22141	3.2
297.22205	3.7
299.23657	2.8
315.23154	4.5
327.23279	3.5
333.24246	9.1
393.31335	4.2
403.29922	6.2
409.30988	4.8
411.32462	5.7
421.31046	24.5
427.24762	4.1
439.32132	17.7
445.25989	2.7
457.33264	15.5
483.34750	2.7
485.36246	5.6
495.34488	7.3
499.20401	2.0
501.35764	7.2
503.37418	25.6
513.14789	2.3
513.22705	60.3
513.35675	100.0
514.22797	6.1
531.23859	25.0
531.36664	58.4
532.24164	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3677
Annotation	Rubianol b
Peak:m/z	Relative Intensity
53.51168	0.6
54.15195	0.6
54.58006	0.6
55.01860	1.4
55.05501	1.7
57.03419	2.3
57.07068	7.7
60.68974	0.6
63.85103	0.6
67.05484	2.4
69.03429	0.9
69.07062	10.9
73.06531	3.0
79.05487	1.9
81.03391	1.7
81.07047	8.8
81.07491	1.2
83.01326	0.8
83.08608	0.8
85.06518	0.9
87.25320	0.7
91.05462	3.0
93.07043	4.0
95.04949	1.6
95.08578	2.6
103.97273	0.6
105.07021	2.3
107.04922	1.4
107.08566	5.7
108.95343	0.6
109.06490	0.8
109.10124	2.6
114.91019	0.6
115.05502	0.7
117.07018	1.2
119.08568	1.7
121.10140	4.1
123.11690	26.3
128.06224	0.8
131.08519	1.6
133.06491	1.1
133.10110	3.1
135.04393	5.1
135.08037	4.6
135.11690	8.6
135.88672	0.6
137.02371	1.2
143.08537	1.6
145.06493	1.5
145.10081	0.8
147.04388	0.7
147.08003	1.3
149.09593	5.1
151.03899	8.0
155.08575	1.0
161.05975	2.5
161.09612	4.1
163.03880	32.8
163.07571	1.7
165.05479	1.1
171.08040	3.3
174.06660	1.0
175.03906	2.6
175.07541	11.9
177.05405	3.8
177.09138	0.8
179.03433	1.1
181.04950	17.3
181.06429	0.6
189.05463	1.4
189.09079	12.2
191.07071	1.5
199.07574	3.5
201.05550	1.1
201.09053	2.2
204.06497	0.8
205.08621	4.8
207.10117	5.1
211.52766	0.7
215.07024	0.8
217.08582	100.0
219.10141	94.9
220.10559	1.0
223.09602	5.5
229.08583	1.5
231.10161	1.5
235.09628	60.0
237.10966	0.7
243.10098	1.3
267.13849	4.3
271.13306	2.4
273.14859	10.0
275.16400	33.9
279.15866	1.1
283.13235	0.9
285.14810	13.1
289.14307	5.6
291.15881	55.6
292.16254	0.7
303.15820	1.6
317.17523	0.7
321.18500	1.0
329.21179	0.8
339.19476	3.2
341.21085	53.6
345.20621	1.7
357.20563	54.5
358.20627	1.6
359.22147	27.6
373.19321	1.0
373.23727	12.1
375.21588	6.0
389.23132	7.9
391.24603	1.8
395.25769	1.0
397.27371	3.1
407.23978	0.9
411.25351	2.4
413.26831	16.0
425.26804	11.8
431.28415	1.5
443.28098	1.8
445.29150	1.5
457.29422	1.8
481.33142	3.0
513.35571	0.9
531.40564	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	531.3311
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
53.03929	3.4
55.05492	13.7
57.03412	4.9
57.07072	25.0
65.03930	4.2
66.15144	3.1
67.05497	32.7
67.49966	3.3
69.07060	37.2
71.04980	5.4
71.81375	6.0
75.04472	6.1
79.05483	23.4
81.03403	10.5
81.07050	39.5
83.04950	6.4
83.08585	12.0
85.06534	11.7
87.04447	11.4
91.05471	25.4
93.07047	32.1
93.44199	3.8
95.04922	11.3
95.08585	28.9
96.08902	4.7
101.22646	4.0
102.09113	4.5
105.07016	27.5
107.04928	9.6
107.08591	22.9
109.06514	8.8
109.10144	11.6
111.08063	3.7
117.06984	7.7
119.08559	16.2
121.06502	8.1
121.10125	12.7
121.38254	3.8
123.11680	14.3
129.06996	5.6
131.08568	13.6
133.10104	13.5
135.04376	4.9
135.08044	20.2
135.11681	22.0
137.09589	7.8
143.08553	4.4
145.06464	6.2
145.10156	5.7
147.08070	4.2
147.11681	7.9
149.09625	5.9
149.13229	4.9
153.05507	7.4
155.08574	5.0
159.08041	4.6
163.03835	5.0
165.05518	5.8
167.03401	4.9
171.11681	4.4
173.09566	7.3
175.03908	26.6
175.07523	22.1
175.11151	3.7
177.05452	20.4
177.09097	4.6
179.03416	6.0
179.07083	5.3
189.09088	6.6
191.07007	7.4
192.46008	3.9
193.04950	14.6
193.12202	4.4
195.13899	4.4
199.07559	6.4
201.09119	6.1
203.07028	6.4
205.08548	18.0
215.14241	6.5
217.08585	100.0
219.10101	6.0
221.08073	9.7
223.09624	9.3
229.08626	19.6
231.10159	15.7
231.17418	4.4
233.08101	23.3
233.11681	8.8
235.09705	9.9
239.09108	15.6
241.08611	3.7
243.10303	8.1
243.13808	4.9
247.09648	25.9
249.07443	6.3
249.11176	10.8
251.09117	18.2
259.09662	5.8
261.11240	4.7
265.10617	19.5
271.13214	45.2
273.14804	45.0
277.10556	9.1
289.14273	77.4
297.14764	4.8
299.16342	7.0
307.15408	9.1
315.15860	14.8
317.17542	6.4
323.14853	11.2
333.16888	12.7
339.19547	27.6
357.20502	14.2
391.20868	9.8
395.25842	6.8
411.25342	14.4
419.14069	3.5
439.28189	6.4
491.41016	4.9
531.40125	66.8
543.55463	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	531.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05476	1.4
57.07038	0.9
67.05495	7.7
68.99388	0.5
69.07059	12.0
69.72984	1.1
69.73394	3.8
79.01823	0.8
79.05488	3.1
81.03374	0.6
81.07045	5.9
83.04930	0.6
91.05447	2.7
93.07032	6.0
95.04910	1.4
95.08080	0.5
95.08596	3.8
98.21483	0.6
105.03351	0.5
105.06964	2.2
107.08578	4.3
109.06390	0.5
109.10147	10.3
117.06969	0.8
118.13688	0.5
119.08559	1.3
121.10104	2.4
123.11657	2.3
131.08492	0.6
133.10066	1.4
135.11656	2.8
149.13345	0.5
157.14606	0.6
158.18347	0.7
201.05426	1.6
216.62790	0.5
229.04929	8.6
241.04944	0.9
245.04408	0.8
255.06532	0.7
257.04416	40.5
258.04895	1.2
269.04474	1.0
271.06033	1.0
273.03821	2.2
279.06561	1.5
281.04523	1.0
285.03891	100.0
286.04370	3.3
287.05499	1.5
297.03830	1.9
297.07202	0.7
299.05469	6.3
307.05835	2.7
310.04562	0.6
311.05478	1.5
313.07208	1.4
313.10681	3.8
321.07690	0.7
323.05481	0.9
323.08914	0.7
325.07013	9.0
325.10712	0.4
327.08536	1.7
333.07565	1.1
335.12704	0.7
339.08560	2.2
341.10150	56.3
342.10333	1.3
351.08578	3.6
355.11618	2.1
363.12369	1.0
365.10007	0.8
381.13251	6.6
383.14682	1.0
389.13742	1.0
395.14874	2.3
397.16360	6.9
407.14862	10.1
421.16879	0.7
421.60721	0.6
445.19937	0.7
463.21100	96.0
464.21298	2.7
499.20813	1.7
513.35016	0.6
531.22888	2.9
531.37164	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.1
55.05501	33.2
57.03420	10.2
57.07073	55.1
58.84314	7.2
61.99952	6.5
62.85886	6.1
67.05499	97.2
69.07058	67.3
71.04977	12.4
71.08646	23.3
76.06875	6.7
79.05471	58.3
81.03413	31.2
81.07037	82.3
83.04975	19.3
83.08599	19.8
85.06564	11.3
85.10180	6.5
87.04465	23.3
88.42346	6.8
91.05471	64.8
93.07024	92.8
95.04958	27.8
95.08600	68.5
97.06527	18.1
99.08077	17.3
105.03378	71.6
105.07006	57.6
107.04932	10.0
107.08588	49.4
109.06532	12.1
109.10144	29.0
111.08093	9.1
117.07024	23.3
118.72590	6.8
119.04880	6.5
119.08555	35.4
121.06502	9.1
121.10139	54.6
123.08052	11.7
129.07005	9.6
131.08577	20.6
133.06395	8.5
133.10085	42.0
135.08055	11.1
135.11674	54.6
137.09592	11.4
143.08626	13.6
145.10139	26.7
147.11705	17.0
149.09703	10.6
149.13252	12.6
151.11212	13.1
155.08563	9.9
157.10135	20.5
159.08127	8.3
159.11688	22.4
161.09647	9.8
161.13210	6.8
161.20023	6.1
163.03790	9.0
163.07545	7.4
163.11266	6.7
165.05536	13.0
167.08501	8.7
173.09581	14.9
175.07545	14.1
175.11198	12.0
177.05429	8.1
179.14288	58.2
183.11757	16.1
185.09549	11.0
189.09052	8.6
191.06984	10.9
191.17627	7.4
193.12213	9.8
195.06410	10.4
197.13200	7.9
199.11212	7.0
201.09148	9.6
201.12650	7.8
203.07043	6.7
211.11223	12.8
217.08569	61.9
219.10155	22.5
221.11490	9.6
223.11369	8.0
225.09081	8.6
227.10681	15.8
229.08501	11.4
235.09476	36.9
247.09653	9.4
251.14493	7.0
253.12309	10.5
255.13818	9.8
261.11325	9.0
265.15976	8.4
271.13287	13.6
273.14935	25.3
275.12811	10.7
277.21628	38.8
283.13467	8.3
283.16965	10.4
287.12778	11.5
291.15781	50.1
309.18417	8.4
319.16882	21.5
325.14279	26.8
325.17908	11.5
327.19568	8.9
337.17801	34.0
343.18884	8.2
355.19034	44.6
359.18515	8.1
373.20096	11.9
395.22183	9.3
411.25290	57.8
429.26117	40.2
445.25754	23.1
461.30704	9.5
479.30701	10.9
497.32336	13.1
513.32220	8.0
531.29303	90.6
531.38379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
60.10970	0.9
67.05502	4.6
69.07046	2.5
70.65050	3.4
71.04961	0.9
79.05478	4.0
81.07037	4.6
83.91283	0.8
91.05467	4.2
93.07022	3.6
95.04942	1.1
95.08603	2.9
100.88728	0.9
103.02136	0.9
103.80019	0.9
104.93745	0.8
105.07031	2.7
107.08540	2.8
109.10133	1.1
117.06989	1.2
119.08554	1.4
121.10102	1.2
129.07080	1.0
133.10143	3.1
135.11653	1.0
145.10114	1.1
193.12173	1.1
211.13203	1.3
285.03702	1.1
288.13245	0.9
289.13864	1.1
329.11609	1.3
358.20544	1.1
359.21338	1.0
373.47931	1.2
386.15045	1.2
421.59372	1.0
427.19424	1.2
455.21573	1.8
485.25095	3.0
499.20859	100.0
513.22241	3.2
513.35101	1.9
531.23102	14.7
531.28778	12.2
531.36847	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	531.2358
Annotation	Turbinatine
Peak:m/z	Relative Intensity
55.05498	6.4
55.16418	1.5
57.07055	2.3
67.05494	17.6
69.03352	1.5
69.04541	3.2
69.07080	6.7
69.72113	1.5
70.64313	5.9
71.04989	2.1
76.66029	1.4
79.05486	11.3
81.03407	2.8
81.07043	17.4
83.04971	2.5
83.08599	3.7
91.05476	13.7
93.07042	11.0
95.04933	4.1
95.08595	11.9
97.06506	1.7
97.10129	2.2
105.07005	12.1
107.04920	2.4
107.08580	7.5
109.06464	2.3
109.10140	4.5
117.07045	3.9
119.08569	8.2
121.06515	3.2
121.10127	7.3
123.08062	1.9
123.11717	4.0
129.06990	3.6
131.08562	7.4
133.10101	10.7
135.11665	4.3
143.08525	2.9
145.10143	9.0
147.11681	5.2
147.87790	1.5
157.06360	1.7
157.10133	4.7
159.11694	5.7
161.13234	3.1
163.11147	1.5
169.10219	1.8
171.11725	3.6
173.09694	2.9
173.13210	3.6
175.14853	2.3
177.08908	1.6
183.11853	2.3
185.13223	2.7
195.11630	2.3
197.13257	2.2
241.19685	2.1
251.09174	2.3
251.14331	1.9
255.16005	3.6
259.20639	4.2
261.22195	1.8
289.21402	2.0
333.24481	1.9
349.16644	2.3
377.21024	2.6
395.22388	2.3
421.31100	4.0
429.22879	1.9
439.32233	2.4
457.33231	2.9
463.23160	2.3
469.24081	1.6
487.24942	1.6
500.84671	1.6
503.36972	3.8
513.22479	100.0
513.34436	13.8
514.22955	2.2
531.23553	62.3
531.36353	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	531.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01871	2.3
55.05500	2.3
57.03420	2.7
57.71480	0.9
61.02912	2.1
65.03934	1.7
67.05487	4.5
69.03421	10.4
69.07058	27.4
70.06570	1.1
71.04987	4.0
71.77842	1.2
73.02896	4.5
79.05479	4.3
81.03408	12.5
81.07036	3.6
82.07358	1.0
83.04949	2.0
83.08618	1.7
85.02893	40.0
91.05470	2.6
93.03391	1.1
93.07047	3.1
95.04960	1.8
95.08553	2.1
97.02885	23.1
97.06541	2.8
97.10221	1.8
99.04445	21.9
103.03927	37.3
103.04620	1.9
105.07020	3.2
107.04930	1.5
107.08569	2.6
109.02867	13.3
109.10126	1.4
111.04424	3.4
115.03908	1.4
117.06999	1.9
119.08562	2.3
119.34776	1.0
121.02838	1.9
121.10104	2.5
123.04416	9.1
123.08070	1.8
127.03902	53.9
131.08583	1.7
133.06458	1.2
133.10133	1.6
135.04431	1.5
139.03886	11.6
139.35614	1.3
141.05484	1.9
145.04938	32.2
145.10094	1.8
147.04376	3.3
147.08031	1.0
149.06070	1.0
151.03902	1.7
157.04930	11.2
161.05943	2.7
163.03899	6.1
163.05946	8.1
169.04945	100.0
173.05994	1.2
177.05476	2.2
181.04994	1.3
187.05968	5.3
189.05385	1.3
191.03377	9.4
193.04938	1.5
199.05966	1.3
211.05943	5.9
219.10170	1.0
225.11220	15.9
233.08115	1.3
235.05948	3.5
247.08139	3.2
249.11238	3.7
253.06973	1.3
259.06067	1.4
265.07047	1.7
267.12262	1.9
267.55539	1.0
271.08145	3.9
277.07120	3.5
285.07266	1.2
289.09241	1.3
289.14359	1.3
291.12155	6.8
295.08286	1.2
299.05591	2.4
315.12170	3.5
325.07034	3.9
333.09830	1.0
333.13275	5.7
343.08099	2.9
351.14441	2.2
351.24551	1.1
369.09451	1.2
379.11676	2.7
439.12366	1.5
457.12842	1.5
475.14636	7.0
531.16632	3.3
531.28723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.5
54.37216	0.8
55.01860	4.9
55.05501	16.4
57.03424	13.6
59.04992	1.1
65.03915	2.2
67.05492	26.4
69.03429	3.9
69.07054	8.9
69.76328	6.4
71.04984	5.3
73.49654	0.7
79.05479	26.4
81.03403	68.2
81.07043	29.0
81.07533	1.0
83.04494	1.5
83.04965	18.1
83.08607	23.1
84.56807	0.7
85.02378	1.4
85.02891	28.1
85.06522	2.1
91.05465	36.2
93.06435	0.8
93.07030	19.3
95.04947	27.0
95.08590	12.8
97.02866	3.2
97.06497	3.3
97.10143	4.2
99.08064	1.5
105.07008	26.5
107.04929	7.9
107.08569	8.6
109.06486	4.7
109.10123	2.6
111.04415	3.4
111.08063	12.0
113.05970	3.4
115.05449	1.5
117.06998	2.7
119.08559	19.9
121.06470	2.0
121.10115	8.9
123.08075	4.0
123.11670	2.1
125.09624	2.1
129.06978	13.2
131.08557	13.2
133.06456	2.8
133.10092	14.3
137.09549	1.9
142.07715	3.4
145.10097	2.5
147.08055	4.3
147.11656	16.9
149.09578	7.5
151.11119	0.9
155.08575	0.8
157.10109	16.4
165.12689	3.0
175.11151	18.7
191.03310	1.1
193.12210	62.5
194.12578	1.4
211.13252	100.0
212.13705	1.2
249.14926	1.2
267.15857	28.1
285.16916	92.8
286.17191	2.3
350.23965	2.2
367.22391	1.1
383.94495	0.8
385.23471	1.9
459.27359	9.3
477.28363	15.4
495.29456	37.3
496.29800	1.8
531.28705	0.9
541.60034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01853	1.4
55.05250	0.6
55.05503	9.1
57.03415	1.6
57.07067	2.5
59.04962	0.4
60.14900	0.3
65.03918	0.6
67.05492	22.4
69.06696	0.6
69.07055	8.8
69.13146	0.3
70.15565	0.3
71.04977	1.3
71.08613	0.8
73.06536	0.4
75.04442	0.3
79.05479	17.1
79.99525	0.3
81.03390	0.6
81.07044	24.8
83.04977	1.7
83.08604	4.6
85.06521	1.1
85.10172	0.5
91.05465	14.9
93.07033	20.3
95.04958	3.1
95.08591	13.9
97.06507	1.9
97.10168	2.2
99.08071	0.7
105.04516	0.4
105.07012	14.2
107.04894	0.4
107.08581	10.7
107.61479	0.4
109.06476	1.3
109.10145	5.2
111.08068	1.1
115.05448	1.1
117.07004	7.1
119.08559	10.9
121.06507	0.6
121.10130	6.4
123.08057	1.0
123.11674	2.1
125.09610	1.0
128.06198	1.5
129.06996	5.3
131.08545	15.3
133.10117	6.8
135.08032	0.4
135.11662	3.9
137.13200	0.4
139.11195	0.4
141.06987	2.2
142.07768	0.7
143.08546	8.3
144.09329	0.8
145.08994	0.6
145.10107	11.4
147.08000	0.6
147.11664	3.3
148.09163	0.3
149.09604	0.7
149.13228	3.7
151.11127	0.3
155.08521	3.4
157.10107	5.7
157.11258	0.5
159.11674	6.8
161.09613	0.6
161.13277	3.5
163.11163	0.5
163.14772	0.7
167.08575	1.0
169.10086	3.8
170.10883	0.4
171.11647	4.5
173.09677	0.4
173.13226	3.6
175.11192	0.6
175.14751	1.6
177.09131	0.4
177.12654	0.8
181.10059	2.2
182.10991	0.4
183.11667	2.8
185.13251	3.1
187.14816	3.1
189.16348	1.1
190.34810	0.4
195.11685	2.0
195.13756	0.9
197.13234	2.3
198.71632	0.3
199.14795	2.6
201.16414	2.1
209.13277	1.5
211.14778	1.9
213.16331	1.8
215.17960	1.2
219.10179	1.0
221.13312	0.4
223.14865	1.3
225.16283	1.6
227.17923	1.1
229.19524	0.8
235.14865	0.5
237.11182	1.5
237.16331	1.0
238.43355	0.4
239.18013	0.9
241.15881	0.5
241.19540	0.7
243.20972	0.5
251.18146	0.6
255.21309	0.3
257.19128	0.5
259.20480	0.5
261.22076	1.3
269.22696	0.3
271.20569	0.4
283.24078	0.4
285.22202	0.4
295.24155	0.5
297.22156	0.5
299.23795	0.8
307.24268	0.6
311.23718	0.9
313.25214	0.7
317.24701	1.2
325.21619	0.4
325.25235	0.9
327.26773	0.8
327.68933	0.4
329.25037	0.5
339.23270	0.6
339.27011	0.6
343.26236	0.6
347.25937	0.4
353.24432	0.4
355.26239	0.7
357.27679	0.6
367.25995	0.3
417.30078	0.6
419.33109	2.5
431.31458	0.5
437.34131	10.1
455.35257	3.8
473.36417	2.5
480.21857	0.4
493.36557	1.0
511.37759	5.1
529.38824	100.0
530.39301	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	11.8
55.01863	12.5
55.05510	32.6
57.03424	11.9
57.07072	100.0
59.89790	5.0
59.90117	3.8
67.05498	78.9
69.03416	9.4
69.07060	80.4
69.97749	30.7
71.04978	13.3
75.04457	7.4
77.06151	4.3
79.05489	54.5
81.03361	8.1
81.07044	76.9
83.04966	57.1
83.08612	10.3
85.06534	28.3
91.05466	65.5
93.07027	83.1
95.04951	29.7
95.08595	72.6
97.06525	15.1
97.10191	6.4
98.20689	9.3
99.04440	12.4
99.08083	12.4
105.03398	23.9
105.07027	66.9
107.04953	13.9
107.08573	60.8
108.09396	4.9
109.06512	16.4
109.10139	19.9
111.08060	11.8
115.05444	5.5
117.07015	19.0
119.04908	10.7
119.08577	35.7
121.06482	13.4
121.10144	34.7
123.08040	24.1
123.11698	9.7
129.06979	13.0
131.08557	36.4
133.06480	11.1
133.10124	59.5
135.08034	19.4
135.11679	25.6
137.06010	10.1
137.09576	9.2
141.07016	5.5
142.07742	8.5
143.08545	19.9
145.06488	11.5
145.10120	44.5
147.04391	5.7
147.08025	11.8
147.11694	18.1
149.05966	5.6
149.09601	9.9
155.08519	12.6
157.10062	23.8
159.08012	13.9
159.11685	20.9
161.06012	10.0
161.09599	12.0
161.13152	5.1
163.07475	10.0
163.11111	10.8
165.05518	5.9
165.06918	5.8
165.09117	7.2
169.10088	19.0
171.08064	8.8
171.11703	12.9
173.09625	17.7
173.13235	12.8
175.07521	16.5
175.11108	9.0
177.05460	19.5
177.09106	6.4
179.03217	6.0
181.10118	6.4
183.11684	12.6
185.09633	8.7
185.13261	10.6
187.07472	8.4
187.11172	14.4
189.05463	18.5
189.09126	10.3
191.03383	6.0
191.10721	7.9
194.10786	6.0
195.06561	19.6
195.11688	7.1
197.09639	11.0
197.13246	6.2
199.07605	7.9
199.11177	15.3
201.09090	17.2
201.12689	13.1
203.10661	9.5
205.08531	9.0
207.06508	31.1
207.10077	8.8
209.09761	6.1
209.11595	7.1
209.13466	5.9
211.11133	11.2
213.09142	7.8
213.12744	9.5
215.07132	7.6
215.10684	14.2
217.08575	22.6
219.10074	23.7
223.09538	8.7
223.11420	7.2
223.14771	6.0
225.12856	8.9
229.08551	9.9
229.12102	5.4
231.10190	10.1
233.08026	6.6
235.09622	11.0
239.10551	5.2
239.17970	7.2
241.08629	6.8
243.09895	24.2
243.13887	5.7
245.11736	11.2
247.09505	6.2
257.11661	10.0
257.18884	8.6
259.13351	8.0
261.11188	67.0
265.12131	6.4
269.11804	8.9
269.15012	4.9
271.13367	10.7
273.14899	6.4
275.12741	9.4
275.20044	22.0
279.12225	38.0
281.15268	6.3
283.13135	8.2
287.12750	25.5
287.15860	5.0
291.16110	7.5
299.12781	14.6
299.16177	6.6
301.14389	11.1
303.19284	6.7
305.13953	6.2
307.16818	8.8
309.14581	5.5
311.16339	8.9
315.15906	6.3
319.16833	8.8
325.18024	17.2
327.15790	11.1
327.19482	7.7
331.15427	6.4
335.16339	6.1
337.17801	22.4
341.17587	26.6
353.17380	27.9
355.19135	26.4
359.18311	36.0
371.18448	32.5
391.22708	6.3
393.24359	9.6
407.22412	5.7
409.23569	15.5
411.25055	7.5
425.23187	15.1
427.24747	17.1
443.24207	31.4
493.29858	7.3
511.30527	20.0
529.30731	69.0
529.38861	12.4
540.36389	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.5
61.99739	0.3
67.05481	1.2
69.07056	0.9
71.79526	0.6
72.40997	0.5
74.36037	0.3
79.05475	0.8
81.07036	1.2
91.05458	0.6
93.07037	0.7
94.06065	0.3
95.08563	1.0
101.83212	0.4
105.07024	0.5
107.08612	0.7
119.08563	0.5
121.10074	0.6
131.08630	0.4
132.09956	0.4
133.02605	0.8
143.08568	0.5
145.10080	0.5
147.11626	0.5
162.06482	0.4
167.06781	0.5
173.09427	0.8
175.07295	1.1
187.10936	1.5
217.08411	0.9
224.78432	0.4
231.09886	3.7
232.10686	0.8
244.14317	0.8
245.11409	0.8
249.26331	0.4
257.15338	0.5
264.55051	0.4
271.13034	1.6
281.11444	0.8
288.13275	11.3
299.12537	2.1
301.14182	0.9
311.19885	0.7
313.14093	2.1
313.21292	2.4
315.12109	1.2
317.13492	0.5
327.15591	0.4
341.17184	0.7
344.12344	0.7
351.19498	0.4
353.99564	0.4
355.18851	2.5
356.19504	1.3
357.20325	14.3
358.20837	0.7
359.14624	0.5
398.20578	0.6
413.28580	0.4
453.26004	2.8
485.28629	1.7
497.25009	7.2
529.27692	100.0
530.28101	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	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50380	1.0
53.03934	3.9
55.01876	6.7
55.05512	9.9
57.03426	5.6
57.07069	1.3
59.05009	1.4
61.02924	2.1
67.05492	23.5
69.07063	20.3
71.04976	2.5
71.80289	2.0
72.38676	1.2
79.05485	17.5
81.03415	9.3
81.07047	25.7
82.99621	1.1
83.04957	4.9
83.08595	5.2
85.02891	1.6
85.06498	1.9
91.03963	1.8
91.05466	26.0
93.07034	21.0
95.01318	4.8
95.04962	7.4
95.08589	18.9
97.02909	2.3
97.06528	9.7
97.10155	2.8
98.52475	1.0
99.08098	1.5
105.03398	3.2
105.07021	32.5
107.04936	8.8
107.08581	10.1
109.02905	1.8
109.06506	2.9
109.10132	7.4
110.04264	1.0
111.08023	1.9
115.05379	1.2
115.82825	0.9
117.06976	8.1
119.04907	1.2
119.08567	18.9
121.06490	3.7
121.10092	5.5
123.08051	4.6
125.05914	1.3
125.09640	2.5
129.07021	1.6
131.08565	11.8
133.06447	1.9
133.10110	15.9
135.08012	2.7
135.11684	5.0
137.09566	2.3
139.03879	1.3
141.06985	2.0
143.08528	3.2
145.06470	3.5
145.10059	9.8
147.08080	2.0
147.11664	7.6
149.09572	1.8
149.13257	1.6
151.11215	1.5
157.10161	2.9
159.07964	1.4
159.11664	9.1
161.13225	2.2
163.11157	3.6
169.10086	2.7
171.11703	2.3
173.09648	1.2
173.11687	1.1
173.13222	1.7
177.12701	1.2
179.14288	5.3
183.11728	1.6
187.11095	2.5
195.13670	1.1
225.76506	1.1
239.17909	1.7
240.50836	1.2
257.18945	3.6
275.20038	30.0
293.21082	4.0
301.14377	1.4
349.23697	100.0
350.24118	1.2
391.24725	1.3
511.28055	1.7
529.14728	1.3
529.28113	3.8
529.34979	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	529.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	0.0
55.01859	0.4
57.03434	0.7
59.04977	0.1
61.02880	0.1
67.05475	0.1
69.03419	0.5
69.07035	0.1
70.96685	0.1
70.97034	0.1
71.01321	0.2
71.04966	0.1
73.02902	0.4
74.99206	0.0
81.03407	0.2
81.07024	0.1
85.02892	0.9
87.04440	0.1
91.05462	0.1
97.02877	0.4
99.04468	0.2
103.03931	0.3
109.02833	0.1
109.06468	0.1
115.03895	0.3
116.20619	0.0
119.73040	0.0
123.04382	0.1
127.03896	0.5
133.04919	0.4
139.03802	0.1
145.04942	0.3
151.07458	0.1
153.01805	0.2
163.06007	0.1
179.03337	0.4
187.05925	0.1
193.04932	0.1
193.12170	0.1
205.03423	0.1
205.04922	4.2
206.05711	10.2
207.06450	0.2
208.03595	0.1
217.08501	0.1
220.07387	0.3
221.08139	0.2
222.08357	0.1
223.05983	3.3
235.09607	100.0
236.09915	0.8
247.09547	0.1
277.10782	0.1
285.16962	0.1
313.10663	0.1
331.11667	0.1
365.63663	0.0
367.13852	0.1
397.14883	13.5
398.15118	0.1
529.18744	0.1
529.26337	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	529.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
52.43844	1.4
53.03940	7.2
55.01864	2.2
55.05502	12.3
57.03423	1.6
65.03923	1.7
67.05497	35.9
68.99783	2.1
69.03415	1.6
69.07049	4.5
69.46402	5.6
69.46825	8.9
71.04980	1.8
79.05481	12.7
81.03400	2.8
81.07053	12.5
83.01335	2.8
83.04965	5.5
83.08615	3.9
85.02895	9.6
85.06573	1.7
91.05466	14.7
93.07036	28.2
95.04959	14.0
95.08594	68.4
97.06512	3.7
97.10166	2.0
103.05544	1.7
105.03376	100.0
105.07017	13.3
107.04953	3.6
107.08591	8.8
109.06511	2.4
109.10146	4.3
111.08071	16.0
115.05473	2.5
117.07016	5.1
119.08540	9.9
119.51260	1.3
120.75838	1.3
121.06494	3.6
121.10121	5.5
123.08052	63.7
123.11711	2.1
125.09587	2.0
128.06216	2.2
129.03362	2.5
129.06996	3.9
130.07748	3.2
131.08553	5.9
133.10136	3.4
135.08040	1.4
135.11658	3.9
137.09549	1.9
139.07542	12.0
142.07750	2.2
143.08578	2.2
145.06375	1.4
145.10120	10.0
147.04385	3.0
147.08081	1.4
147.11697	3.8
149.09598	2.5
155.08621	1.8
157.10091	3.7
159.08009	2.7
159.11691	3.5
161.13280	1.6
163.11153	3.8
167.08603	1.3
169.10057	1.6
171.08044	2.3
171.11710	1.9
173.09581	28.2
173.10922	2.4
175.03903	3.0
175.11174	5.7
179.03386	5.2
179.10721	1.6
187.11150	1.7
189.09096	2.4
191.03357	1.4
191.10626	2.9
197.04419	3.6
197.06113	1.9
199.07416	1.3
215.07027	2.3
223.09717	1.4
227.07030	2.4
234.33377	1.3
235.09464	1.4
241.08522	1.4
243.06487	2.0
257.08035	9.9
257.18921	2.9
275.19974	7.7
277.02014	1.3
277.12088	1.6
283.09750	2.2
301.12009	1.5
303.13824	1.7
319.13330	5.1
319.36703	1.2
321.14832	2.1
335.12796	2.3
359.16592	1.5
375.15765	1.5
377.17566	6.7
395.18265	1.5
443.22324	2.3
495.24173	1.4
511.34564	1.6
529.29022	1.7
529.35388	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	529.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.1
67.05484	0.1
68.99776	0.1
69.03426	0.1
69.54922	0.7
69.55329	0.1
71.04971	0.8
75.04419	0.1
85.02883	1.2
86.48814	0.1
92.23714	0.1
93.96863	0.1
95.04886	0.1
97.02844	0.1
98.21497	0.2
111.04434	0.1
120.55692	0.1
123.04390	0.2
129.05458	0.3
137.05930	0.1
145.74319	0.1
153.01816	0.2
165.01788	0.2
175.07368	0.1
179.03371	0.3
179.07083	0.2
194.05772	0.1
203.03514	0.1
203.06982	0.1
205.04930	3.2
206.05719	10.1
221.08057	100.0
222.08311	0.8
383.13528	0.5
529.18921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04110	0.1
54.43576	0.1
57.03412	0.6
57.63776	0.1
69.03398	0.3
69.06999	0.2
70.53793	0.5
73.02910	1.3
85.02905	0.2
97.02882	0.3
99.74875	0.1
115.03916	0.2
143.56340	0.1
144.96539	0.1
153.01837	0.2
179.03459	0.3
192.04193	0.2
193.04950	0.2
199.50458	0.1
205.04921	3.7
206.05724	9.8
207.06480	0.2
220.07269	0.3
235.09621	100.0
236.09932	0.8
279.95044	0.1
312.02655	0.2
397.14899	15.6
398.15091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99348	0.1
55.01846	0.3
57.03433	0.7
61.02900	0.2
69.03431	0.4
69.27884	0.1
69.99657	0.1
70.00080	0.4
71.01328	0.1
73.02919	0.4
81.03407	0.1
85.02897	0.8
87.04439	0.1
97.02850	0.3
103.03912	0.2
105.07029	0.1
115.03891	0.3
123.04430	0.1
126.73053	0.1
127.03869	0.3
133.04948	0.4
145.04938	0.2
145.35144	0.1
151.07506	0.1
153.01842	0.2
156.08134	0.1
164.22969	0.1
179.03406	0.3
191.45349	0.1
193.04970	0.1
205.03398	0.1
205.04919	4.1
206.05713	9.6
207.06412	0.3
220.07297	0.2
221.08075	0.1
223.06003	1.2
235.09610	100.0
236.09889	0.7
247.09512	0.1
331.11658	0.1
367.13696	0.1
397.14883	14.3
398.15271	0.1
484.52716	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	528.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01869	11.4
55.05502	23.1
57.03432	17.5
57.07068	2.1
59.04997	5.4
66.78847	1.7
67.05498	31.7
69.03415	6.4
69.07062	8.8
69.71500	12.7
69.71915	2.6
71.04981	5.4
79.05483	37.5
81.03410	59.2
81.07050	36.1
83.01324	9.1
83.04981	24.7
83.08614	26.5
85.02892	20.6
85.06522	2.0
91.05469	35.7
93.07034	38.7
95.04961	26.1
95.08602	17.6
97.02878	4.3
97.06509	5.3
97.10167	5.3
98.20704	3.1
99.04455	3.2
103.05441	2.2
105.03384	1.8
105.07026	24.0
107.04935	11.7
107.08578	16.1
109.06516	9.0
109.10139	6.6
110.10485	2.3
111.04439	3.8
111.08072	10.0
115.05417	2.7
117.07010	7.3
119.08575	23.3
119.14510	1.4
121.06511	4.0
121.10138	16.9
123.08061	8.9
123.11654	1.8
125.09580	2.6
129.07002	10.6
131.08568	9.7
133.06482	3.5
133.10117	11.5
135.08110	2.1
135.11682	9.5
137.09618	4.0
142.07814	3.1
145.10118	13.2
147.08034	5.3
147.11699	10.2
149.09619	7.0
153.12872	1.7
157.10103	10.2
163.11159	21.9
165.12743	2.1
173.09586	4.2
175.11185	11.2
181.12297	3.9
191.10683	3.3
193.12242	42.7
209.11679	6.6
211.11230	3.3
211.13277	76.0
227.12737	6.6
267.15878	14.4
283.15381	100.0
285.16946	59.6
340.16611	1.7
457.26273	2.3
475.26917	14.7
493.27957	93.3
528.28088	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54688	0.4
53.03920	0.5
55.01861	2.5
55.05504	7.0
57.03430	6.0
57.06793	0.7
57.07067	13.6
59.04989	3.3
61.02921	2.7
67.05496	1.3
67.34737	0.4
69.03423	7.4
69.07059	54.1
71.01333	1.4
71.04977	5.9
71.08620	10.3
71.09011	0.7
73.02904	8.9
73.06548	9.8
74.08689	0.4
74.09729	0.4
78.82934	0.4
79.05475	0.5
81.03407	1.4
81.07049	1.0
82.63863	0.5
83.08607	2.6
85.02892	16.0
85.10171	5.9
87.04467	1.1
87.04932	0.4
89.06018	30.4
91.03944	0.7
91.05472	1.2
93.07022	0.7
95.04960	0.8
95.08568	0.9
97.02876	8.4
97.06540	0.5
99.04427	0.5
99.11726	1.2
103.03931	0.5
105.07038	0.9
107.07072	0.5
109.02868	1.1
111.11703	82.4
115.03893	5.7
119.08556	1.3
121.10063	0.5
127.03909	3.2
129.12738	100.0
132.14516	0.5
133.04948	5.3
143.08490	0.6
145.04941	4.3
153.01746	0.7
163.06065	1.3
170.15327	0.6
189.12782	0.6
199.16911	23.1
217.12253	1.4
217.17963	38.9
288.08859	0.5
290.07452	0.6
304.05338	0.6
318.93280	0.6
348.22540	0.9
369.23660	0.5
528.16211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08921	1.0
55.05498	3.6
56.49711	1.0
57.03416	2.5
57.07062	7.6
60.08382	0.9
67.05500	6.8
69.07056	18.2
71.08627	1.1
79.05483	5.3
81.07053	16.1
83.01315	3.8
83.08617	2.9
89.06024	3.8
91.05477	4.7
93.07030	12.9
95.05009	1.1
95.08597	17.6
97.10149	2.5
105.07026	5.5
107.08575	14.5
109.02914	1.5
109.06513	3.5
109.10145	13.2
111.11732	1.3
118.72930	0.9
119.08573	3.1
119.84103	1.0
121.06496	2.1
121.10120	10.7
123.11713	6.1
127.48783	1.2
131.08514	2.4
133.08586	1.4
133.10130	2.9
135.08047	4.1
135.11679	9.3
137.05998	3.9
137.13264	1.4
145.10114	4.5
147.11623	2.4
149.06009	1.2
149.09657	2.2
149.13243	17.9
149.34763	1.0
153.05432	8.6
155.08536	1.6
159.11713	1.4
161.13228	1.5
162.06741	1.1
163.07515	5.6
163.11174	1.7
163.14809	1.6
165.05458	75.2
167.07014	10.1
173.09607	1.8
175.07571	1.7
176.08299	1.4
177.05415	2.0
177.09079	11.3
177.10507	1.4
177.11183	1.0
177.16435	1.5
179.07021	1.8
189.09045	1.3
190.06279	1.3
191.06998	1.8
191.10666	9.0
201.09079	4.8
204.07938	1.2
205.08591	3.3
205.19473	16.6
215.17851	1.5
217.08580	1.4
217.19455	4.1
219.10136	71.5
221.11705	70.3
223.09433	1.8
233.11700	1.8
237.11188	100.0
251.12773	4.5
275.12830	1.3
289.14737	1.2
303.15970	1.9
305.17416	10.6
327.20078	1.5
328.20432	1.5
350.79947	1.1
369.24222	23.3
387.25302	2.2
388.06631	1.3
425.30325	4.7
441.30005	9.4
443.27872	1.5
459.27271	1.7
527.37030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.8
57.03410	2.0
57.07064	7.7
67.05489	5.3
69.07062	14.4
69.51763	7.8
71.04967	0.8
79.05476	1.8
81.07042	7.1
83.01318	3.1
83.08594	1.6
85.06535	1.0
89.06003	2.8
91.05457	2.9
93.07013	3.3
95.04966	1.4
95.08593	5.5
98.21394	1.7
101.35885	0.7
105.07019	3.4
107.04862	0.7
107.08576	6.1
109.06488	1.5
109.10143	7.3
110.10487	0.9
119.08567	3.6
121.06430	0.8
121.10123	4.3
123.11710	4.3
125.13184	0.7
127.03889	1.0
131.08516	1.2
133.08565	1.5
133.10109	3.2
133.54784	0.8
135.08022	3.1
135.11655	2.5
137.05930	2.9
139.03844	1.0
145.10101	2.7
147.08005	1.0
147.11678	4.1
149.05936	1.4
149.09595	2.1
149.13220	3.8
153.05446	8.5
155.08441	0.9
157.02637	0.8
159.11702	1.2
161.13289	3.6
162.06689	1.1
163.07578	3.6
163.11172	2.1
165.05449	51.2
167.07005	12.0
173.09581	2.8
175.14792	1.1
176.08264	1.7
177.05556	3.9
177.09079	10.1
177.16344	1.0
189.05545	0.7
191.06993	1.2
191.10681	5.3
201.09055	3.3
204.07797	2.1
205.08600	0.9
205.19472	3.8
207.10049	0.9
213.16443	0.7
215.17932	3.0
217.19487	9.0
219.10138	58.3
220.10446	1.5
221.11703	20.4
223.09627	1.4
229.14343	3.3
230.14714	1.7
235.20561	2.7
237.11177	100.0
243.10103	1.6
248.86426	0.7
269.55295	0.7
305.17285	4.1
327.20160	1.3
328.20398	1.0
338.27579	1.9
369.24173	19.9
387.25284	10.0
441.29965	17.6
453.30267	1.1
459.31061	3.6
492.37582	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01853	1.5
55.05262	0.9
55.05505	9.0
57.03418	2.4
57.07058	3.3
65.03922	1.2
67.05498	19.3
67.09229	0.5
69.03391	0.6
69.07056	9.0
71.04971	2.5
71.08613	0.9
71.81695	0.7
72.68024	0.5
75.04485	4.0
79.05484	13.0
81.03390	0.9
81.07045	18.5
83.04951	2.1
83.08613	4.9
85.06528	2.3
88.07627	0.5
91.05470	13.5
93.07031	13.6
95.04953	2.5
95.08595	13.2
97.06508	2.4
97.10152	3.0
99.08044	0.9
105.07016	13.7
107.04934	1.1
107.08578	9.5
109.06490	1.7
109.10132	6.3
111.08050	1.8
114.83559	0.6
115.05455	1.3
117.06997	7.6
119.08559	10.2
121.06470	1.2
121.10152	6.9
123.08052	1.4
123.11678	1.5
125.09605	2.0
128.06215	2.1
129.06993	9.1
130.07771	0.7
131.08554	15.0
133.06432	0.8
133.10114	8.0
135.08058	0.7
135.11674	4.0
137.09589	1.5
141.06972	3.8
142.07735	2.1
143.08539	11.5
145.10089	11.9
147.08023	0.8
147.11668	4.2
149.09595	1.5
149.13229	1.8
154.07721	0.7
154.59836	0.6
155.08537	8.2
156.09291	0.8
157.10110	12.4
158.10904	0.5
159.08012	1.1
159.11681	8.4
161.09604	1.0
161.13239	2.7
163.11241	0.7
163.14845	0.8
165.06960	0.9
167.08556	2.3
168.09396	0.7
169.08669	0.9
169.10097	8.7
170.10843	1.0
171.10217	0.7
171.11658	9.2
173.13240	5.4
175.11151	1.4
175.14836	0.9
177.12793	0.7
179.08589	0.7
179.10686	0.6
181.10127	4.0
182.10876	0.8
183.11662	8.1
185.13225	6.0
187.14818	2.2
189.12791	0.8
189.16330	0.6
193.10091	1.3
195.11668	4.8
197.13216	6.9
199.14821	4.7
201.12694	0.6
201.16394	1.0
207.11729	1.2
209.13217	4.2
211.14815	2.9
213.16405	1.8
215.17970	0.6
221.13307	2.3
223.14883	3.6
225.12590	0.6
225.16296	2.6
227.17940	1.0
231.17448	0.6
235.14827	1.2
237.16354	1.9
239.17918	1.4
241.19531	0.9
249.16350	1.2
253.19315	0.9
256.26251	1.3
257.26578	1.3
259.20590	0.9
265.19556	1.0
267.20871	0.7
269.19113	0.8
281.22498	0.7
283.20383	1.0
291.20978	0.6
293.22513	0.9
295.20160	0.9
309.22003	1.2
311.23608	0.8
315.23279	0.8
323.23764	1.1
325.25525	0.6
337.24875	0.9
341.24783	1.0
347.23642	0.9
355.26328	0.7
365.24637	1.0
375.26773	0.8
407.33276	0.8
417.31558	5.9
435.32541	15.8
436.32855	1.2
453.33627	8.0
471.34802	3.0
473.34146	1.2
491.35059	1.8
499.34421	0.7
509.36307	10.8
527.37177	100.0
528.37659	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	527.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.07055	1.5
65.03944	0.6
67.05476	2.2
69.03402	0.8
69.07057	12.7
69.48873	0.9
69.49284	6.0
71.04987	0.7
72.68893	0.7
73.45303	0.5
75.44334	0.5
79.05470	1.9
81.07037	4.6
83.01319	4.4
83.04989	0.6
88.21066	0.6
89.06004	1.7
91.05486	2.9
93.07026	4.7
95.04965	0.9
95.08570	3.6
103.39304	0.6
105.07011	4.0
107.08600	4.0
109.02858	1.2
109.06477	2.7
109.10172	3.2
109.10805	0.6
117.06973	1.7
119.08558	5.3
121.06499	4.3
121.10103	2.4
123.11661	1.5
127.03843	1.9
131.08559	5.2
133.10097	5.4
135.08037	7.8
135.11678	1.3
137.05974	3.3
137.09589	0.8
137.13206	1.0
143.08537	1.9
144.09348	0.6
145.10072	5.8
147.07985	0.7
147.11646	2.5
149.09583	4.5
153.05444	3.7
157.10112	2.6
158.10847	0.8
159.08038	5.5
159.11658	7.6
161.09619	0.8
162.06728	5.4
163.07520	7.5
165.05455	50.5
166.06207	0.9
167.06952	2.0
169.04932	0.9
171.11615	1.5
172.12459	3.4
173.09561	0.6
173.13235	21.0
177.05565	0.9
177.09105	13.3
177.16199	0.6
181.04976	1.3
181.08524	1.1
187.07515	5.3
189.16377	1.3
190.06049	0.9
191.06949	0.9
191.17947	1.4
201.16397	1.4
203.06914	1.3
203.17946	2.2
205.08571	63.8
215.17923	59.1
219.06505	2.0
219.10083	4.2
219.17349	3.8
221.08154	1.4
221.11688	16.9
223.09616	100.0
224.09941	0.9
231.09874	0.6
231.17346	1.8
237.11125	4.0
245.11707	2.4
261.11548	0.7
263.12802	8.7
277.14740	0.7
291.15930	3.2
327.19791	0.6
328.20551	0.7
365.21140	0.9
367.22641	13.8
369.24213	1.4
383.21960	0.8
401.23221	3.1
423.24918	1.2
425.26874	1.8
437.26840	1.8
441.25989	0.9
459.27313	21.1
471.27353	0.8
527.34827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39115	0.1
53.03926	0.2
55.05462	0.1
57.03408	0.2
61.02900	0.2
65.54495	0.1
67.05485	0.5
68.99785	0.1
69.03404	0.5
69.07041	0.2
70.06577	0.2
71.04984	0.2
71.82258	0.1
73.02908	0.2
79.05470	0.3
81.03392	0.6
81.07031	0.5
83.04961	0.3
85.02897	1.1
85.06522	0.2
91.05453	0.2
93.07032	0.4
95.04945	0.3
95.08569	0.3
96.08126	0.1
96.08913	0.1
97.02879	0.7
97.06496	0.2
99.04443	0.6
103.03918	0.7
105.07002	0.4
107.08602	0.2
109.02858	0.5
109.06489	0.2
109.10165	0.3
110.09672	0.2
111.04414	0.2
113.60876	0.1
119.08560	0.2
120.08108	0.2
121.10095	0.3
123.04364	0.3
127.03891	1.6
133.10095	0.2
135.04388	0.2
137.05992	0.3
138.09143	0.2
139.03908	0.3
139.09506	0.2
145.04933	0.9
147.08047	0.2
151.07532	0.1
153.01924	0.2
153.09039	0.2
157.25766	0.1
160.18976	0.1
165.01839	0.2
165.05362	0.1
165.09003	0.1
166.08591	0.3
167.06952	0.3
171.02930	0.1
175.07458	0.2
179.03380	0.2
179.06984	0.3
187.06039	0.2
189.05353	0.2
194.84393	0.1
203.10533	0.1
205.04909	2.2
206.05713	7.7
209.11833	0.2
221.08054	100.0
222.08344	1.4
233.08119	0.2
263.09064	0.7
287.09088	0.3
329.10266	0.3
329.21069	0.1
330.19745	0.2
333.04645	0.1
361.13788	0.2
362.14252	0.4
383.13635	0.2
413.11505	0.1
465.17334	0.3
491.26758	0.2
509.16461	0.5
509.27591	0.2
527.17371	3.0
527.24646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97851	1.4
55.01857	2.7
55.05498	5.6
57.03420	2.1
57.06597	1.2
57.07064	2.9
59.04990	2.2
67.05495	17.3
67.46143	1.5
69.03412	6.0
69.07067	13.1
70.13264	7.5
71.04984	9.4
75.04482	2.9
79.05480	8.2
81.03402	5.5
81.07040	15.7
83.01327	15.3
83.04956	5.6
83.08620	2.4
85.02912	1.6
85.06538	3.3
90.95663	1.6
91.05474	9.6
93.07033	13.0
95.04965	7.2
95.08593	10.5
96.05701	1.9
97.06509	4.8
97.10146	2.3
99.04470	1.8
105.07018	10.8
107.08578	8.4
109.02843	2.3
109.06486	6.7
109.10137	18.9
111.04420	3.0
111.43710	1.5
113.09651	3.0
117.07012	4.1
119.08562	16.5
121.06461	6.7
121.10104	2.8
123.04433	2.1
123.08051	4.8
125.05967	1.8
125.09649	3.2
127.07530	8.2
128.06223	1.7
129.06958	2.0
131.08546	6.1
133.06464	10.4
133.10118	19.4
135.08025	5.2
135.11693	5.7
137.05930	9.0
137.09579	6.8
139.07512	1.8
143.08543	5.3
145.10103	6.5
147.08008	2.1
149.05954	2.5
149.09607	3.4
151.07530	2.7
151.11151	2.9
155.08577	1.4
157.10130	3.4
159.08067	3.5
159.11676	1.9
161.05920	1.8
161.09592	9.5
163.07484	3.6
165.09081	5.0
167.06995	1.8
169.09888	1.7
171.06488	5.9
171.08018	18.5
173.09567	3.8
173.11845	2.7
173.13277	2.1
175.07562	4.8
177.05447	2.8
177.09076	2.8
179.07047	5.0
179.10681	3.5
181.08595	3.0
183.11641	3.1
184.86426	1.5
185.05942	1.6
185.08029	3.3
185.09566	3.0
187.11118	1.8
189.09116	8.6
189.10660	1.5
195.06483	9.5
195.10139	2.2
199.11220	2.3
201.09003	1.8
201.12898	2.3
203.07008	7.5
203.10516	1.9
205.08514	2.0
211.09448	1.7
213.07530	5.5
213.12730	3.8
213.93846	1.5
215.10536	1.7
217.08531	8.1
217.12213	1.9
219.10207	1.8
221.08035	6.5
223.11217	2.9
225.11029	2.3
226.09926	3.5
227.07170	1.6
227.09135	6.1
227.11002	1.8
229.08687	4.0
241.12273	8.5
243.10092	3.0
243.13713	1.8
245.08040	13.0
245.11726	6.9
259.13342	4.4
263.09009	8.6
269.11700	14.9
269.19330	1.6
287.12766	25.4
301.14105	4.0
305.13708	3.8
311.16217	3.5
315.12354	3.6
319.15247	6.1
329.17331	4.7
333.13242	13.7
337.17877	5.2
339.15482	2.5
339.21487	2.8
341.13791	1.8
355.19260	3.7
357.16901	16.0
369.20370	6.1
375.18103	5.6
387.21631	2.2
389.19666	5.9
391.17459	100.0
407.21310	1.6
409.18555	28.9
423.20172	8.7
425.23099	3.1
441.21109	18.4
459.23657	4.6
477.24597	1.9
509.27362	6.0
527.28406	7.3
527.36438	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	527.1755
Annotation	Inumakilactone A glycoside
Peak:m/z	Relative Intensity
53.03930	0.7
57.03410	0.7
68.99824	0.2
69.03404	0.5
71.04965	0.3
71.78898	0.4
73.02897	0.5
79.01819	0.3
81.03403	1.9
81.07026	0.3
85.02397	0.5
85.02888	6.9
85.42990	0.2
95.04947	0.4
97.02847	0.4
99.04440	4.8
103.03925	8.2
107.04951	0.2
109.02181	0.2
109.02866	2.6
123.04432	0.3
127.03890	5.6
137.05922	0.5
145.04941	3.2
147.04382	0.5
147.08032	0.4
149.02243	0.2
151.03900	0.3
163.03867	0.4
163.06021	0.5
165.01811	0.5
165.05467	0.4
167.06993	0.2
169.04907	0.2
177.05405	0.3
177.09070	0.7
183.02835	0.4
187.03894	0.3
187.05930	0.3
189.09015	0.2
191.07001	0.4
193.08614	1.3
205.01393	0.3
205.04890	0.5
205.08588	0.7
206.05717	0.4
206.09290	1.6
209.08058	0.4
215.06960	0.5
217.04987	0.5
217.08551	1.8
218.05760	1.1
219.06410	1.1
220.07310	1.3
221.08060	8.5
229.04988	0.4
230.05682	1.8
231.06444	0.6
231.10158	0.4
232.07385	0.3
233.08047	22.7
234.08810	14.9
235.09494	1.0
243.06491	0.5
244.07266	0.8
245.08057	24.1
246.08498	0.6
247.05870	0.5
247.09914	2.7
248.06740	2.4
255.10196	0.8
257.08008	2.2
258.08850	1.6
259.05933	0.7
259.09625	3.3
261.04236	0.2
261.07523	1.4
263.09100	100.0
264.09442	1.2
271.09811	0.5
272.06613	0.4
273.07544	1.1
273.11130	2.2
275.09070	1.6
277.10666	0.4
283.09552	2.3
285.07510	0.6
287.09082	16.5
288.09454	0.3
293.10184	1.0
299.09067	0.6
301.10599	1.2
305.10019	0.5
311.09116	3.4
317.10156	1.4
329.10162	6.9
347.11243	5.2
349.37402	0.2
365.12265	8.7
383.13458	0.3
389.12570	0.3
429.15317	0.7
447.16544	3.4
455.13409	0.3
473.14368	2.5
491.15439	4.2
509.16489	11.5
527.17578	4.2
527.24719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
56.06820	0.1
62.13913	0.1
67.01847	0.1
67.05494	0.2
69.03410	0.3
69.71872	0.3
69.72301	0.6
71.04964	0.2
73.02892	0.1
81.03391	0.5
81.07040	0.3
84.64175	0.1
85.02907	1.1
91.05461	0.1
93.07001	0.2
95.08576	0.2
97.02880	0.6
97.33457	0.1
99.04443	0.5
102.59935	0.1
103.03942	0.6
107.04913	0.1
109.02872	0.5
109.06532	0.1
111.04379	0.2
113.05932	0.1
123.04372	0.1
127.03896	1.8
133.06502	0.1
135.11647	0.1
145.04912	0.8
153.01784	0.3
153.09074	0.2
155.03368	0.3
163.05930	0.1
167.35669	0.1
175.07495	0.3
177.05486	0.1
179.03336	0.3
179.07011	0.4
187.05962	0.3
205.04921	2.0
206.05713	7.5
221.08057	100.0
222.08363	1.5
263.09039	0.3
271.07925	0.1
279.08566	0.1
279.97308	0.1
289.17892	0.1
329.10049	0.1
383.13443	0.2
465.17831	0.1
491.15234	0.2
508.17450	0.1
509.16287	0.2
527.17487	3.6
527.23395	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	527.1597
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
53.03922	0.6
55.01854	1.6
56.96551	1.3
57.03429	2.2
59.61800	0.5
61.02909	1.3
63.85526	0.5
64.64076	0.5
69.03412	8.1
70.03743	0.9
70.21401	2.5
71.04996	0.5
73.02908	3.0
81.03407	2.1
81.22346	0.4
85.02889	20.8
86.03221	1.8
87.04440	0.9
87.89684	0.5
91.03919	0.6
97.02872	5.8
98.97553	2.2
99.04459	1.5
101.00878	0.7
109.02882	0.9
114.28971	0.4
116.98614	1.5
119.01900	3.5
121.01691	0.5
127.03895	10.2
128.04247	1.9
128.98618	1.0
131.01877	1.2
131.04132	0.5
134.99623	1.2
135.04353	0.7
142.01765	2.6
143.01884	5.1
144.02068	1.3
145.01633	2.8
145.03505	1.2
145.04950	6.8
146.02156	0.6
146.05305	1.6
146.99673	0.8
155.01802	2.7
157.01559	1.0
157.03401	0.9
158.99673	1.4
159.05028	1.7
160.02800	3.8
161.01320	0.7
161.01546	0.9
161.02939	6.5
162.03084	1.2
163.02744	3.0
163.03854	4.5
163.06004	0.6
164.04295	0.6
167.01860	0.8
170.99602	1.1
171.05098	0.7
171.43077	0.4
173.02934	5.1
174.03131	1.5
175.02744	2.0
175.04527	0.5
175.54535	0.5
177.00706	1.3
183.04916	0.9
183.55212	0.5
184.04750	2.9
184.55084	0.5
185.02887	4.7
185.04274	4.7
186.03116	0.9
187.02754	2.9
187.04439	0.7
189.00713	1.8
189.04234	0.6
191.04044	1.1
192.05577	0.6
192.55693	1.0
193.05458	2.6
193.55675	1.6
194.05579	0.4
197.02980	2.0
198.44568	0.5
199.02704	0.5
200.04420	1.0
201.00693	2.2
201.06049	0.9
203.03529	8.3
203.05309	8.9
204.01981	0.5
204.04179	1.2
205.03726	2.4
206.04457	0.5
215.03992	1.3
217.03712	0.6
219.01685	2.4
221.04446	7.2
222.02837	0.9
226.05174	0.6
227.04016	1.0
229.03709	0.5
235.04834	0.6
237.00769	0.7
237.02867	1.4
243.01804	1.1
245.04967	14.2
246.05125	2.3
247.04822	6.4
248.05322	2.1
255.01752	0.8
256.57294	1.0
257.04984	0.9
261.02817	2.6
263.05984	3.3
264.06342	0.8
264.57874	1.3
265.05695	1.4
265.07755	2.2
265.57718	2.5
272.06717	0.7
273.02930	0.6
273.08115	1.3
273.58292	2.4
274.08127	9.2
274.58276	8.3
275.06003	1.9
275.08438	1.3
277.06085	1.0
279.04056	1.3
281.07242	2.2
281.57394	0.6
287.05927	0.6
291.03934	0.7
293.07251	1.3
295.07077	1.7
305.07001	3.2
307.07120	0.7
321.05042	1.4
324.08200	0.6
335.08322	0.8
347.03662	0.7
347.09674	11.2
355.10641	1.0
355.61057	1.1
356.11334	0.7
357.07404	0.5
365.10504	56.7
366.10269	1.4
367.09296	2.1
368.09680	1.0
388.80841	0.5
420.22626	0.5
425.11273	1.0
426.11710	1.0
427.11456	2.5
428.11700	1.5
429.06830	0.6
511.26794	0.6
527.15741	100.0
528.16443	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00351	0.5
55.26364	0.5
56.50713	0.5
56.74596	0.5
56.85133	0.5
56.96558	8.5
57.03404	0.6
60.04496	0.6
61.02881	0.6
62.43794	0.6
65.03888	0.5
67.93043	0.5
69.03416	2.5
71.04964	0.5
71.80325	0.7
73.02877	1.4
77.00861	0.9
79.05447	0.9
81.03372	2.0
82.99833	1.7
84.95998	1.5
85.02907	5.5
86.09681	0.6
89.03912	4.7
91.05436	2.4
93.26368	0.5
93.64345	0.5
94.96651	0.4
94.99802	0.5
95.04906	0.5
97.02874	3.6
98.96984	0.9
98.97571	12.5
100.97135	0.5
101.00862	5.4
107.04908	1.4
108.82632	0.5
109.02829	1.4
110.97534	1.3
111.04364	0.6
113.00864	0.9
115.02413	0.9
116.97895	0.7
116.98620	9.7
117.03320	4.5
117.04028	1.0
119.01904	25.1
119.04929	4.9
123.04333	1.1
124.99079	0.5
127.02366	1.1
127.03883	3.0
128.98615	3.9
131.00188	1.3
131.01889	9.0
133.01645	0.6
133.03430	1.1
134.99655	5.2
135.04370	9.2
136.04706	1.0
137.02956	4.0
139.02327	0.7
141.03902	2.4
142.03552	0.6
143.00247	3.4
143.01888	30.9
145.03394	10.5
145.04918	1.7
146.99632	3.8
147.01343	1.4
147.04375	16.7
148.04738	1.0
149.01218	1.2
149.02898	1.9
152.05580	0.7
153.00684	0.6
153.03970	0.7
155.00052	0.7
155.01877	15.5
157.03458	5.5
158.99678	4.3
159.03194	0.8
159.05020	18.9
160.02696	1.0
161.01254	4.3
161.02943	58.4
162.03186	0.5
163.03876	52.8
164.04243	4.8
165.00700	1.0
167.01872	5.8
168.05031	0.7
169.03456	3.0
170.99655	1.7
171.05028	6.0
173.02942	30.5
175.02727	1.5
175.04456	2.5
177.00711	5.1
177.04428	1.2
177.06035	4.5
179.02000	3.2
179.03868	1.1
181.03438	0.7
183.05005	2.1
184.03101	0.6
184.04465	3.0
185.01465	1.6
185.02930	44.7
187.02914	1.2
187.04465	5.0
189.00696	2.6
189.06047	1.2
191.02293	1.1
191.03960	3.8
191.05840	1.8
193.03583	0.6
195.05051	1.8
196.04506	1.5
197.01129	0.9
197.02936	12.9
199.04410	0.7
200.04439	0.6
201.00674	3.4
201.06056	8.9
203.02293	1.8
203.03976	29.1
205.03836	0.6
207.01881	0.7
208.04483	1.0
209.01189	0.7
209.02946	1.3
213.00703	1.1
213.04218	1.0
213.06036	6.0
215.04022	10.5
215.05905	1.6
217.48267	0.6
218.99704	0.6
219.01770	9.1
221.03070	1.6
221.04990	4.1
225.00519	0.6
225.06081	1.3
226.05649	1.2
227.03998	8.8
231.01718	0.9
231.07245	0.9
233.04988	1.0
233.07010	0.6
237.00665	1.6
237.02808	9.6
238.03218	1.3
239.02167	1.8
239.04140	1.9
242.03204	0.8
243.01802	1.4
243.07111	3.8
245.05051	100.0
246.05154	1.9
247.04958	0.9
249.02786	1.8
255.01659	2.7
257.05386	4.5
261.02881	3.5
261.05536	1.1
261.08182	6.6
263.06125	20.4
265.05923	0.6
267.03650	0.6
269.04968	0.7
269.07611	0.7
271.04523	0.6
272.06625	0.8
273.02759	2.3
275.06085	11.5
279.03787	2.5
281.07407	1.0
284.09863	0.7
286.07693	2.2
287.06110	12.7
291.03983	0.7
293.07205	3.0
303.09210	1.9
305.07162	26.4
307.06961	1.0
317.07007	1.0
321.04974	1.2
321.08377	1.3
329.07129	2.2
332.06326	0.6
335.07492	3.1
335.09875	2.4
347.08304	5.8
353.07382	0.8
353.11102	1.0
363.06021	0.6
365.09341	29.4
374.07645	1.2
383.06061	3.7
383.10907	1.0
401.07471	2.8
411.06302	1.1
425.11737	6.5
429.07040	1.9
467.12448	3.5
495.65594	0.6
509.13397	2.1
527.14612	28.6
528.14661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.1
55.01843	6.1
55.05504	36.7
57.03432	22.1
57.07070	18.0
59.65232	3.6
65.03951	5.6
67.05159	4.6
67.05495	77.3
69.03413	6.8
69.07072	17.0
69.45697	38.2
71.04983	10.8
79.05482	88.3
81.03408	71.3
81.07043	79.8
83.04977	25.1
83.08604	27.8
85.02904	24.5
85.06494	7.7
91.05471	87.0
91.29251	4.4
93.06447	5.6
93.07030	100.0
95.04948	52.2
95.08589	45.2
97.06493	8.3
97.10165	8.6
98.21496	7.2
99.04424	3.8
103.05462	3.9
105.03374	3.9
105.07014	69.5
107.04947	11.8
107.08598	31.8
109.06549	16.8
109.07240	3.1
109.10143	24.7
111.08060	13.6
117.06993	13.3
119.08566	48.1
121.06517	7.2
121.10132	21.1
123.08064	14.1
129.06972	23.5
131.08534	20.1
133.06445	4.1
133.10141	27.2
135.11655	26.5
137.09621	5.1
142.07831	4.8
143.08505	11.7
145.10086	16.1
147.08070	5.7
147.11665	48.2
149.09624	10.2
156.09212	3.8
157.10103	14.5
159.11646	4.7
161.09639	4.9
161.13269	9.0
163.11230	5.5
165.12773	5.1
169.10101	5.6
171.11662	24.5
173.09558	5.8
173.11752	6.8
175.11140	13.6
189.09081	4.3
189.12781	11.9
191.50014	3.7
193.12201	38.5
207.13812	30.2
211.13248	68.0
249.14719	4.5
267.15903	49.7
281.17429	80.6
285.16898	60.2
367.46219	3.5
434.31546	6.4
457.25467	10.3
473.28983	93.4
491.23267	6.2
491.30005	91.1
510.34604	4.3
526.36206	34.1
527.28229	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	526.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.01862	5.9
55.05498	14.0
57.03428	13.5
57.07064	1.8
58.59923	1.1
58.94265	1.1
59.04986	2.3
61.02929	6.2
67.05498	11.6
69.03421	17.3
69.07054	16.0
70.51576	4.1
70.75403	1.4
71.04975	3.9
73.02909	15.5
73.75294	1.2
77.80534	1.4
79.05495	8.9
81.03413	3.8
81.07047	46.2
82.11289	1.3
83.04968	4.5
83.08598	15.1
85.02895	31.2
85.06538	8.6
86.09702	1.4
91.05464	11.1
93.07026	14.0
95.08591	56.2
96.08959	2.8
97.02880	24.7
97.06528	8.5
97.10170	6.3
99.04420	1.4
99.08086	7.7
100.11236	6.2
101.05980	2.1
103.03913	2.4
105.07011	13.8
107.08578	8.9
109.02849	2.0
109.06535	2.2
109.10146	6.7
111.04433	2.5
111.08073	3.4
113.09631	3.0
114.05520	1.8
115.03921	10.6
115.07564	1.4
119.08563	23.5
121.10113	11.4
123.08041	5.2
123.11693	4.0
125.09629	2.5
127.03873	8.9
128.07097	1.3
132.06541	1.7
133.04982	8.9
133.10126	18.4
135.11652	14.3
137.05930	2.7
137.09596	1.7
137.13239	15.1
138.13664	1.5
139.03915	2.1
141.09105	1.6
145.04933	8.6
145.10085	1.4
147.11716	1.5
149.13251	2.5
150.07593	3.1
159.11685	1.6
161.06039	1.2
161.13243	72.9
163.06015	2.8
167.14282	4.0
177.05344	1.5
179.14288	100.0
182.15385	5.1
186.04631	1.6
192.13876	1.5
197.15341	76.9
210.14893	5.3
215.16397	42.7
241.07059	1.8
249.56691	1.3
259.08057	1.9
292.27097	3.4
303.37753	1.5
310.28223	3.9
328.29248	1.7
453.83652	1.4
517.36725	1.8
526.19891	1.8
526.86902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93515	5.0
60.68735	2.8
67.05484	4.9
69.07061	5.0
70.06602	2.9
71.05898	5.6
72.93771	3.3
79.67519	2.9
81.07044	3.6
90.94771	4.1
93.07034	5.0
95.08614	4.1
104.99232	7.0
119.08532	4.2
121.10124	10.6
131.08543	4.4
187.74365	3.5
198.98920	3.2
203.07028	12.3
205.08601	5.6
224.98479	7.9
236.98271	3.4
240.97774	3.2
242.99606	3.2
249.02065	3.3
254.99599	4.3
260.98361	2.7
263.00009	18.7
263.02475	3.3
277.01559	28.4
278.99646	4.6
279.03110	6.3
281.00946	6.8
290.99463	48.9
293.98120	4.2
295.02609	10.4
304.02496	3.0
304.97385	11.6
307.99692	6.1
309.00320	15.8
313.03809	4.3
318.04068	4.9
327.01563	3.3
329.08331	7.6
332.02060	4.0
351.09631	2.7
360.84134	5.7
361.07648	3.4
361.83893	6.7
368.89383	3.1
375.05081	5.0
379.09494	7.6
379.85333	4.5
381.11511	17.7
398.11801	9.8
399.12451	21.6
411.08817	5.8
413.10397	8.2
415.12128	5.6
417.13596	27.5
427.15631	4.1
431.11505	3.2
435.14432	10.4
440.15250	33.8
443.84659	4.3
461.85272	5.9
467.18808	100.0
468.18582	4.1
481.17151	3.9
485.19812	78.6
508.21408	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61950	2.9
51.02359	3.3
53.03942	14.5
55.01867	22.0
55.05508	52.5
57.03446	17.7
57.03672	3.4
57.07067	12.6
57.24099	3.2
59.04994	20.2
61.02934	3.3
65.03945	4.2
65.99608	2.7
67.05499	93.9
67.78084	3.0
69.03416	15.5
69.07059	32.0
71.04988	38.5
71.81232	3.1
71.81587	4.3
76.25530	2.7
79.05486	92.2
81.02943	5.2
81.03410	77.9
81.07049	98.3
83.04976	26.2
83.08620	37.8
85.02906	18.0
85.06533	15.4
87.04465	6.9
91.05476	80.9
93.07036	82.0
95.04955	43.8
95.08607	50.1
97.02896	9.3
97.06516	23.4
97.10163	27.0
103.03921	5.5
105.04517	3.3
105.07025	53.8
107.04946	20.7
107.08578	52.3
109.06510	15.2
109.10134	31.9
111.04458	12.8
111.08048	19.4
111.11720	3.1
113.06010	5.5
115.05489	3.9
117.07007	20.9
119.08573	52.6
121.06518	12.2
121.10143	66.2
123.04442	12.5
123.08073	14.2
123.11691	6.4
125.05989	5.0
125.09637	18.1
125.42964	3.0
128.06233	5.5
129.06981	23.9
131.08556	33.1
133.06526	8.9
133.10115	33.5
135.04413	6.9
135.08080	10.8
135.11679	26.9
137.05992	6.8
137.09654	9.1
137.13231	4.7
139.11227	5.5
141.07022	3.6
142.07790	6.1
143.08591	7.3
145.06500	6.4
145.10092	24.3
147.08072	5.4
147.11674	39.7
149.06027	3.1
149.09602	42.7
149.13382	4.5
150.09151	5.1
151.11241	3.7
153.09172	5.5
153.12733	8.3
155.08536	5.2
157.08934	4.5
157.10075	21.7
159.08102	4.7
159.11697	8.7
161.06015	3.3
161.09634	5.8
163.11168	32.9
165.12776	7.3
167.08765	2.9
167.10663	4.9
169.10089	3.4
171.08128	3.6
171.11673	3.5
173.09636	8.8
173.11763	4.3
175.11188	29.6
181.12202	14.2
185.13284	3.9
189.11290	11.3
191.10670	15.3
193.12234	57.1
197.15303	4.2
199.13297	7.5
201.12740	5.0
203.14365	3.9
205.12262	4.0
207.13840	4.9
209.11684	15.5
211.13261	68.0
213.12923	4.0
223.13361	4.5
225.14844	15.0
227.12737	23.8
229.05020	2.9
231.13864	5.1
249.14717	14.2
259.15421	8.0
267.15839	18.3
283.15466	12.6
285.14807	3.6
307.15549	3.4
311.03082	3.0
315.18256	3.7
337.21954	7.5
355.22876	8.0
365.21191	8.5
373.23715	3.5
383.21967	16.9
390.40994	3.3
401.23273	23.7
402.23642	3.4
415.24698	3.6
419.24155	5.4
421.25909	7.8
423.42950	3.1
433.25967	15.8
447.27570	6.7
457.25937	7.9
475.26901	28.5
489.29068	5.1
493.28073	23.9
507.29593	66.9
524.51422	3.9
525.30658	100.0
526.21960	6.8
526.30743	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	525.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92604	1.2
54.98677	1.8
56.96557	51.5
59.86186	1.4
68.97430	1.3
69.03436	2.5
71.79677	1.7
74.97578	1.4
82.06562	1.2
85.02895	7.1
89.03907	5.6
91.05466	3.8
97.02888	4.1
98.97572	99.0
110.97593	3.1
115.00676	27.6
116.98611	100.0
117.03341	4.0
119.04927	5.5
121.01652	1.5
123.04387	1.5
127.03891	3.4
128.98584	2.9
130.38948	1.5
131.00067	1.5
133.01720	24.5
134.99643	67.3
135.04388	9.5
140.00191	4.1
140.98610	2.7
143.00189	2.3
143.01872	2.4
145.02844	5.4
145.04948	1.8
146.99673	2.1
147.04382	19.1
148.04778	2.5
149.01291	1.9
151.02777	3.1
151.47388	1.3
153.00699	10.1
156.64723	1.3
157.01691	9.2
158.01273	2.6
158.99635	33.7
161.01175	4.8
163.03896	55.1
164.04211	6.7
170.99683	2.5
173.03360	2.2
173.04851	20.7
175.02766	56.6
177.00693	49.9
188.22987	1.5
189.00700	2.7
189.04358	1.9
191.05888	5.4
193.03850	12.7
195.01718	8.1
198.04448	2.7
199.02786	5.6
200.02266	2.5
201.00667	36.4
201.02478	1.8
203.04036	1.4
213.00676	1.6
217.03856	13.0
219.01741	73.5
235.05009	2.0
237.00531	1.0
237.02776	23.9
242.03334	4.7
243.01762	3.3
243.05386	1.5
245.04961	2.5
255.03889	2.0
259.04807	15.8
261.02792	17.2
267.07227	1.9
273.02615	2.1
273.08264	2.6
275.05988	2.3
277.05856	14.8
279.03922	9.6
287.09592	2.2
291.03778	1.8
303.03830	34.4
303.07138	1.5
304.04343	1.9
321.04968	12.4
333.05045	1.6
333.08911	4.2
344.06332	2.5
345.05005	3.3
363.05923	65.1
381.06998	7.5
423.08234	2.1
429.07104	1.5
456.85666	1.5
525.11151	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	525.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.8
55.01863	21.1
55.05508	48.8
57.03429	16.0
57.07068	10.7
59.04997	18.4
61.02929	4.5
65.03918	7.0
67.05151	5.5
67.05496	86.1
69.03421	12.7
69.07067	29.6
70.43131	2.9
70.82986	8.2
71.01350	4.1
71.04986	32.3
74.20860	2.7
79.05483	91.9
81.03410	59.4
81.07049	100.0
82.39722	2.7
83.04981	25.7
83.08614	26.5
85.02897	9.6
85.06527	19.6
87.04463	3.9
91.04939	6.0
91.05474	78.6
93.07038	80.5
95.04958	40.0
95.08598	51.2
97.02875	6.9
97.06518	21.8
97.10166	23.8
99.08083	6.9
103.03912	5.7
105.07015	53.2
107.04922	19.1
107.08577	44.5
109.06506	11.5
109.10162	17.7
111.04417	14.2
111.08060	15.1
113.05998	4.1
115.05449	3.1
117.06998	12.3
119.04940	3.4
119.08566	41.3
121.06515	10.7
121.10130	58.3
123.04424	8.2
123.08067	11.8
123.11703	7.6
125.09624	14.4
129.06955	21.4
131.08553	34.3
133.06450	4.3
133.10097	30.4
135.04405	8.4
135.08037	6.2
135.11693	20.3
137.05989	5.5
137.09529	6.4
137.13287	3.0
139.11197	5.8
142.07712	3.5
143.08545	7.8
145.06462	5.2
145.10103	25.5
147.08047	8.9
147.11688	31.5
149.09586	35.7
149.13217	4.4
151.11084	5.2
153.09065	4.5
153.12703	5.8
157.10123	17.1
159.11682	7.5
161.09715	3.7
161.13268	3.4
163.11166	21.1
163.48782	2.9
165.12740	4.8
167.10635	4.4
169.10135	3.6
171.11707	6.1
173.09688	6.9
175.11150	18.2
181.12234	13.9
185.13159	3.2
189.11197	11.0
189.12738	4.1
191.10704	13.9
193.12219	52.2
197.15297	4.6
199.13301	6.2
201.12724	4.0
201.14697	2.9
207.13940	4.7
209.11737	11.9
211.13254	58.1
211.15186	4.1
225.14893	10.7
227.12692	17.3
227.81596	3.0
231.13809	3.8
235.13174	5.5
249.14917	12.9
259.15384	9.3
267.15857	20.4
283.15332	18.3
307.22653	3.3
315.18103	5.1
337.21466	4.1
355.22745	6.2
365.21298	4.1
373.23761	5.9
383.21985	13.1
401.23334	13.6
415.24518	3.1
421.26141	3.5
433.25745	11.5
447.27243	4.4
451.26883	4.0
457.25757	4.5
475.26755	27.3
489.28412	3.8
493.27963	15.7
507.29578	59.3
525.30621	77.8
526.31421	4.1
547.93951	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	524.3708
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05504	0.8
56.05030	1.5
57.03436	0.7
57.06832	0.4
57.07071	4.0
58.06589	1.4
58.07407	0.3
60.08155	16.0
67.05485	0.9
69.07053	0.6
69.84660	2.8
70.06574	0.4
71.07365	6.1
71.08627	2.3
78.26228	0.4
81.03394	1.0
81.07034	1.5
83.08585	0.9
85.10187	1.3
86.09692	48.8
91.05467	0.6
92.19281	0.4
93.07024	0.5
95.04965	0.5
95.08604	1.2
97.10125	0.4
98.74576	0.3
98.98463	2.8
104.10727	100.0
105.07031	0.5
109.10162	0.6
112.11278	0.5
123.11639	0.5
124.99987	26.6
140.47728	0.3
163.01564	0.9
178.42744	0.3
184.07317	93.6
193.12093	0.5
194.12396	0.5
211.13188	0.4
245.99387	0.4
258.10986	0.9
267.15845	0.4
268.16254	0.5
269.12234	0.4
313.27533	0.4
314.27722	0.8
341.30453	1.2
506.35880	9.2
512.88940	0.3
524.37006	44.0
525.37073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	100.0
69.03403	4.9
70.26450	11.0
70.26863	8.9
85.06528	11.3
88.54779	3.4
91.05465	4.6
93.07014	3.9
95.08584	4.5
98.21268	5.7
105.07018	28.8
107.08585	10.0
119.08574	9.7
123.11613	3.9
131.08553	6.1
135.08084	3.5
137.09662	6.5
143.08575	6.9
145.10103	22.5
147.11674	14.8
153.09059	9.3
157.04961	7.2
157.10109	10.7
163.07509	4.7
171.08127	8.6
173.09624	36.0
175.11163	28.4
183.11621	4.0
185.13248	10.1
191.10674	9.4
195.11638	17.2
197.13203	18.0
199.09639	7.1
213.10994	6.9
213.12845	25.6
223.11201	7.1
225.12624	8.8
231.10139	5.2
241.12219	12.6
249.14845	11.0
253.19472	11.9
255.13725	8.3
259.09692	11.8
259.13367	4.6
269.11743	6.2
273.14841	32.7
281.19025	6.7
283.13126	4.4
291.15927	9.3
297.18488	11.5
301.14297	19.3
307.16910	5.4
309.18390	9.7
311.20190	4.2
325.18292	4.8
333.92719	4.0
337.17078	4.7
341.21118	11.9
355.18973	6.4
357.20648	28.0
359.22131	7.0
367.18979	5.2
373.20172	4.9
385.20016	27.6
403.21103	71.7
421.22159	78.3
439.25003	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	524.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77694	4.7
55.90372	4.2
57.06790	7.7
57.07066	100.0
70.01997	30.3
77.46771	5.1
79.93987	4.0
80.40102	4.4
85.06537	12.9
89.65619	4.4
91.89285	5.1
98.21423	7.3
105.07016	27.3
121.10124	5.0
138.36252	4.5
143.08534	8.9
143.49039	4.3
145.10088	17.2
147.11642	11.5
157.10124	9.4
173.09602	13.0
175.11159	22.1
185.13249	9.4
191.10602	6.8
195.11668	18.3
197.13219	15.3
199.09521	5.6
203.10535	4.7
213.10970	7.2
213.12862	24.8
223.11256	8.4
231.10172	7.0
241.12299	11.8
253.19368	4.9
255.13673	10.8
259.09674	11.8
269.11557	10.6
273.14777	27.4
281.18860	11.2
291.15918	10.2
297.18436	7.1
301.14352	12.5
307.16599	5.4
319.15305	7.3
341.21063	13.3
343.19043	4.8
357.20557	9.9
367.19122	7.9
385.19904	23.5
403.21082	64.2
421.22150	81.6
482.14932	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01864	4.9
55.05503	28.2
57.03425	21.0
57.07067	63.8
59.06103	3.2
64.71172	2.6
67.05494	44.9
69.03421	3.7
69.07050	17.8
71.04975	3.4
71.08621	32.9
71.79466	4.2
71.96928	2.7
79.05480	28.7
81.03405	94.5
81.07050	49.4
83.04951	7.3
83.08614	33.9
85.06540	3.4
85.10159	15.8
86.09708	3.7
91.05463	22.5
93.07037	23.8
95.04941	23.0
95.08604	45.6
97.06544	4.5
97.10159	28.4
104.10722	5.2
104.28973	2.9
104.68159	2.9
105.03389	4.2
105.07026	25.9
107.04954	6.9
107.08586	18.8
108.30846	2.6
109.06512	3.6
109.10132	24.5
111.04427	5.5
111.08060	9.7
117.06982	5.3
119.08528	23.4
121.06512	3.9
121.10094	16.9
123.08061	5.2
123.11682	10.0
125.09622	14.4
129.06993	13.5
131.08546	12.5
133.06485	4.0
133.10139	11.5
135.08025	4.0
135.11696	9.3
137.09608	5.3
142.07712	3.5
142.37761	2.9
145.10117	11.5
147.07991	3.4
147.11658	13.7
147.88062	2.8
149.09641	4.5
149.13187	3.9
153.09131	3.0
157.10123	11.7
159.11714	4.7
165.05461	4.5
171.08109	3.2
173.09598	5.6
173.13293	3.2
175.11169	11.2
183.11981	3.2
184.07368	5.8
185.13226	3.7
187.14865	4.9
189.11211	12.4
193.12187	39.2
195.11606	5.5
196.46385	2.9
197.13330	7.7
205.08696	3.0
211.13019	4.0
213.12767	6.5
223.09595	6.1
227.12753	14.8
243.21173	2.8
245.13719	19.2
249.14951	4.9
251.14221	3.4
259.09671	3.4
261.22046	15.0
267.15869	100.0
269.11469	4.1
271.34131	2.9
273.14871	8.6
277.21072	3.4
281.19287	3.2
301.14404	4.8
309.18420	3.1
313.27335	93.9
317.24817	5.3
335.25778	12.0
385.19843	7.1
393.01666	2.9
403.21027	12.5
421.22372	18.8
457.25760	4.2
490.17175	3.6
490.23804	3.2
505.39206	66.3
523.34412	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47168	0.4
53.03939	1.3
55.01845	1.5
55.05242	0.5
55.05505	11.1
57.03431	4.4
57.07067	29.5
59.04977	0.7
65.03920	1.1
67.05492	19.7
69.03406	1.6
69.07057	8.3
69.59037	1.3
69.59461	3.5
71.04990	2.7
71.05313	0.6
71.08617	20.1
73.82271	0.5
79.05479	12.1
81.03406	28.3
81.07043	23.5
83.04971	6.2
83.08605	18.4
85.02890	15.2
85.06514	0.9
85.10170	10.4
91.04926	0.9
91.05463	13.9
93.06490	0.9
93.07027	7.3
95.04954	13.2
95.08588	22.4
95.09203	1.1
97.02837	1.3
97.06505	1.5
97.10154	6.2
98.21473	0.9
99.08060	0.6
99.11716	0.8
99.58498	0.4
105.07014	10.1
107.04942	1.9
107.08584	3.4
109.06522	2.2
109.10139	9.6
110.41233	0.5
111.04417	0.7
111.08060	4.3
111.11709	1.1
113.05985	1.1
115.05416	0.6
117.07008	0.5
117.78168	0.4
119.04866	0.5
119.08568	7.5
121.06474	1.0
121.10116	5.4
123.08070	0.8
123.11682	3.8
125.09614	0.8
129.06985	4.5
131.08537	5.3
133.06480	1.3
133.10118	4.5
135.11681	0.8
137.09583	0.6
137.13269	1.6
137.74666	0.5
141.22604	0.5
142.07753	1.3
145.10028	1.2
146.07719	0.5
147.08044	1.2
147.11652	6.1
149.09604	2.8
157.10100	6.2
165.12711	1.3
165.16464	0.7
175.11183	6.9
193.12210	27.4
198.34978	0.5
211.13264	31.8
221.22632	0.8
239.23650	4.3
249.14841	0.6
267.15869	7.1
285.16925	0.8
313.27386	6.2
346.31168	0.5
362.05258	0.5
364.92709	0.6
505.38751	3.6
507.17444	0.5
523.39880	100.0
524.40332	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	523.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
53.77874	2.9
54.46664	3.0
55.01863	3.0
55.05499	19.7
57.03436	15.5
57.06808	3.8
57.07069	60.8
65.38979	3.4
67.05492	39.9
69.07060	21.3
71.05011	8.0
71.08629	41.5
71.81207	5.0
75.19450	3.3
77.42029	2.8
79.05479	23.1
81.03405	73.4
81.03888	4.3
81.06601	5.8
81.07042	53.7
83.04961	11.4
83.08608	30.7
85.02904	16.5
85.06560	4.1
85.10164	20.9
89.06007	5.3
91.05453	28.0
93.07030	15.0
95.04958	23.5
95.08587	35.6
95.98930	2.8
96.08887	3.6
97.10161	13.1
105.03381	3.1
105.07019	18.1
107.04912	5.9
107.08589	10.5
109.10149	22.6
111.08071	7.4
111.11723	3.9
119.08559	21.0
121.06494	3.2
121.10111	15.5
123.11712	8.0
129.06969	8.9
131.08507	10.8
133.06497	5.4
133.10088	11.0
137.09610	4.5
137.13263	4.6
147.08104	4.8
147.11685	9.2
149.09581	4.9
157.10138	11.9
175.11211	12.9
193.12215	49.6
211.13280	18.6
239.23671	7.5
267.15875	63.5
313.27332	65.5
340.26120	3.0
461.28253	3.5
488.27878	3.3
505.38892	37.6
523.39893	100.0
524.39880	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05504	13.0
57.03422	6.5
57.07067	36.2
60.40907	0.9
63.05001	0.9
63.20991	0.8
65.03926	1.7
67.05494	25.9
69.03418	2.1
69.07054	9.0
70.12454	3.4
70.12874	1.8
70.61298	0.8
71.04972	2.3
71.08253	1.5
71.08621	24.7
79.05480	12.3
81.03405	33.9
81.07043	32.0
83.04957	6.1
83.08609	20.5
85.02893	14.8
85.06518	1.2
85.10174	11.5
91.05464	18.7
93.07037	9.8
93.75924	0.8
95.04949	14.0
95.08588	27.8
97.02886	2.2
97.06538	2.7
97.10158	5.5
98.21090	2.4
105.07019	14.5
107.04942	3.5
107.08580	5.1
109.06458	2.2
109.10140	13.9
111.04443	1.3
111.08074	6.8
113.06002	1.0
115.05430	1.0
117.06980	0.8
119.08574	13.7
121.06502	1.4
121.10120	7.2
123.08031	1.6
123.11683	4.7
125.09590	1.5
125.13343	0.8
129.07008	6.0
131.08574	6.6
133.06488	1.9
133.10114	4.8
135.11728	1.2
137.09590	1.0
137.13261	2.4
142.07765	1.8
145.10057	1.8
147.08041	1.7
147.11662	8.4
149.09627	2.8
151.11160	1.2
157.10120	6.6
165.12733	1.0
175.11163	6.3
179.14384	0.9
193.12216	30.1
196.69206	0.8
211.13272	32.4
221.22635	1.0
229.14310	1.7
239.23640	6.5
247.90001	0.8
267.15878	8.4
267.18207	1.0
285.17014	1.2
313.27289	11.6
384.62714	0.9
505.39029	6.8
523.39880	100.0
524.40015	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01852	1.2
55.05502	12.4
57.03432	4.0
57.07067	28.3
58.98524	0.6
65.03928	1.1
67.05495	20.5
68.61450	0.6
69.03410	1.7
69.07063	8.8
69.57661	6.9
71.04977	2.5
71.08622	20.4
79.05480	11.7
81.03406	28.9
81.07047	26.3
81.07392	0.4
83.04963	5.1
83.08104	0.9
83.08606	17.5
85.02386	0.9
85.02894	15.1
85.06522	1.6
85.10172	9.8
91.04929	0.8
91.05470	13.1
91.06036	0.9
93.07029	8.8
95.04959	11.2
95.08000	1.4
95.08595	20.8
97.02897	0.8
97.06510	2.4
97.10146	5.5
98.21510	1.3
105.07008	10.5
107.04927	3.0
107.08573	4.0
109.06496	1.8
109.10144	9.5
111.04434	0.7
111.08067	4.4
111.11761	1.0
113.06007	1.2
116.07047	0.7
117.07061	0.7
119.08575	10.1
121.06434	0.6
121.10123	4.7
123.08051	1.0
123.11723	4.9
125.13298	1.0
129.06993	4.0
131.08572	4.0
133.06479	1.7
133.10120	5.0
137.09618	0.8
137.13242	1.4
142.07722	1.3
145.10126	1.2
145.85464	0.6
147.08018	1.7
147.11665	7.0
147.88640	0.6
149.09653	3.0
151.14795	0.8
157.10095	6.2
165.05441	0.7
165.12743	0.8
175.11159	8.2
193.12215	28.2
194.92992	0.6
203.17981	0.9
211.13271	35.1
221.22569	0.7
223.09645	0.6
234.98482	0.6
239.23650	5.6
267.15842	8.0
313.27267	6.8
375.11954	0.6
505.39066	3.8
523.39911	100.0
524.33020	1.1
524.40240	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94833	0.6
52.95221	0.6
53.03944	3.3
55.01876	1.5
55.05503	11.5
57.03434	19.2
57.07070	42.6
65.03912	1.3
67.05136	1.2
67.05499	21.8
69.03416	2.2
69.07066	9.9
70.34200	1.5
70.34616	2.4
71.04985	1.8
71.08624	27.7
75.73331	0.6
79.05483	11.9
81.03410	87.5
81.07047	26.6
83.04981	4.4
83.08606	22.5
85.02907	4.2
85.06520	1.2
85.10174	17.8
87.04459	0.7
89.06036	1.6
91.05464	15.3
91.84781	0.7
93.07033	8.5
95.04964	22.6
95.08601	23.2
97.02892	2.5
97.06523	1.5
97.10162	6.4
98.21377	0.9
99.08064	0.8
103.07571	1.2
105.07018	12.7
107.04945	4.7
107.08599	4.0
109.06481	1.6
109.10146	11.9
111.04458	1.7
111.08087	6.0
113.05978	1.1
115.05431	1.4
117.07005	1.9
119.08578	12.2
121.06468	2.3
121.10140	6.0
123.08049	2.2
123.11682	3.9
125.13290	0.9
128.06192	1.2
129.06982	9.4
131.08559	8.8
133.06483	2.6
133.10091	3.9
135.11684	0.9
137.09624	1.2
137.13277	1.7
142.07782	2.7
145.10056	1.5
147.08044	2.8
147.11652	7.4
149.09581	4.2
151.14841	0.7
157.10106	10.1
165.12704	1.3
175.11154	10.3
185.13286	0.6
193.12224	39.3
203.17902	0.9
205.08644	0.7
205.12250	0.9
211.13286	7.7
220.28314	0.6
239.23640	6.9
249.14879	3.8
257.24710	1.4
263.97223	0.6
267.15891	100.0
268.16211	1.3
313.27338	89.3
314.27634	1.6
357.57239	0.7
443.27768	0.8
505.38861	56.2
506.39148	1.3
523.32764	1.2
523.39978	19.2
524.39630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01854	1.5
55.05505	10.6
57.03429	5.1
57.07067	30.3
59.05009	0.6
65.03909	0.5
67.05495	20.4
69.03414	1.8
69.07056	10.7
69.74463	3.8
69.74876	1.3
71.04983	2.5
71.08621	22.0
71.50510	0.6
79.05483	10.1
81.03405	28.9
81.07046	24.1
82.47600	0.5
83.04969	5.4
83.08607	16.5
85.02403	1.1
85.02892	16.4
85.06540	1.4
85.10172	10.0
91.05467	12.9
93.07035	7.8
95.04955	13.9
95.08591	22.3
97.02885	1.0
97.06525	1.5
97.10165	6.1
99.04424	0.5
99.08040	0.9
103.05451	0.6
105.07019	11.3
107.04944	2.0
107.08572	3.6
109.06494	2.0
109.10133	8.4
110.86240	0.5
111.04397	1.1
111.08069	4.8
111.11718	1.0
113.05995	1.7
115.13245	0.6
119.08567	9.9
121.06489	0.7
121.10134	4.5
123.04276	0.6
123.08006	1.2
123.11696	5.0
125.09642	0.7
129.06985	4.5
131.08540	4.6
133.06488	1.4
133.10106	4.8
137.09619	0.9
137.13235	1.3
138.48111	0.6
141.30867	0.6
142.07732	1.1
147.08058	1.3
147.11653	6.6
149.09583	3.4
157.10091	5.9
165.12756	1.4
175.11168	7.5
193.12219	26.0
211.13261	31.1
212.13960	0.6
239.23698	4.7
249.14799	0.7
267.15878	8.5
285.17014	0.9
313.27280	6.7
505.39093	3.5
523.39886	100.0
524.40295	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	522.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60269	0.2
55.05496	0.4
56.05027	0.5
57.07066	1.0
58.06601	0.4
60.07844	0.3
60.08151	5.5
65.61085	0.2
67.05493	0.4
69.07057	0.6
69.79456	1.4
71.07361	2.5
77.16811	0.2
79.05478	0.2
81.07050	0.4
83.08585	0.2
86.09690	28.4
93.07054	0.3
95.08610	0.4
98.98446	2.5
104.10081	0.3
104.10725	3.0
105.07008	0.4
107.08617	0.2
111.04405	0.2
121.10143	0.5
124.99982	18.8
135.11655	0.2
145.10081	0.5
147.96191	0.2
163.11104	0.2
173.09682	0.2
184.07312	100.0
185.07646	0.4
191.10640	0.5
201.09079	0.5
243.13762	2.7
243.16072	0.3
258.11090	0.2
274.45502	0.2
289.14355	0.4
315.19522	0.5
327.19522	0.5
353.95761	0.2
359.18353	0.3
373.20126	1.8
382.36664	0.2
391.21088	3.1
419.30667	0.2
504.34494	1.2
522.35370	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	523.1441
Annotation	5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone 2'-glucoside
Peak:m/z	Relative Intensity
55.05491	1.4
57.07038	0.4
62.43135	0.4
67.05473	1.2
69.03392	1.2
69.07046	1.2
69.68352	3.3
69.68764	0.9
70.06557	0.4
74.09712	0.9
79.05466	1.1
81.03396	0.6
81.07030	1.7
81.72901	0.4
83.08612	0.9
83.42608	0.4
84.11102	0.4
85.02888	2.5
87.06731	0.4
91.05447	0.7
93.07022	1.0
95.04966	0.6
95.08573	1.7
100.11256	2.0
105.07001	1.3
107.08582	1.1
109.06457	0.6
109.10151	1.3
119.08525	0.6
123.04369	0.9
123.11670	0.7
127.03915	0.8
130.04703	0.5
131.08537	0.7
133.06503	0.6
135.11653	0.8
139.03883	0.9
140.10703	0.5
145.04924	0.5
145.10077	0.5
147.11678	0.6
153.01767	1.0
161.05965	2.2
171.04388	0.6
181.04976	0.6
182.15393	1.1
189.05400	2.4
191.06979	0.5
210.14899	0.8
211.16847	0.6
215.03403	1.0
217.04959	3.9
220.78622	0.4
228.96776	0.5
235.05956	0.8
245.04350	0.6
247.02342	0.8
251.07076	1.3
253.04961	0.5
255.02847	0.8
257.04446	0.6
261.03940	1.9
268.03384	0.4
269.07980	0.7
272.03070	1.3
273.03891	10.8
275.05533	0.6
279.06491	2.1
282.05161	1.0
283.02274	1.0
285.03836	6.6
287.05499	1.2
289.03394	17.8
297.07614	2.0
297.76041	0.4
301.03418	16.3
301.06979	1.4
307.05997	1.0
307.26114	0.5
313.03439	1.5
314.03961	0.5
315.04889	1.5
315.08664	1.3
325.07013	16.5
327.04910	0.8
328.05725	1.8
343.08078	100.0
344.08325	1.3
361.09064	4.3
451.09863	0.6
505.13596	0.9
522.89508	0.8
523.15137	1.0
523.28857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05017	0.4
57.07068	1.5
58.06616	0.5
60.08156	6.2
62.73874	0.2
67.05511	0.3
69.03449	0.2
69.07046	0.4
70.02145	0.7
71.07364	2.8
81.07036	0.2
83.08624	0.2
85.00712	0.2
85.06553	0.2
86.09693	27.7
87.09997	0.2
93.07021	0.3
95.08601	0.2
98.98448	2.1
104.10730	2.9
104.11378	0.3
105.07030	0.4
107.08573	0.3
111.04449	0.3
121.10108	0.4
124.99986	19.6
135.11777	0.2
145.10094	0.6
166.02632	0.2
173.09612	0.3
184.07317	100.0
185.07689	0.3
191.10635	0.6
197.13248	0.2
201.09055	0.3
243.13783	2.9
258.11038	0.2
261.14807	0.2
289.14285	0.4
315.19528	0.3
327.19455	0.6
339.28726	0.2
359.18430	0.4
373.20062	1.8
391.21054	4.2
504.34256	1.1
522.35327	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	45.8
64.17566	2.0
71.36488	4.1
85.06559	5.7
99.04446	5.1
105.07011	12.7
107.08588	2.5
111.04449	6.1
121.10190	3.8
123.16544	1.6
132.14761	1.8
145.10085	11.7
147.11717	1.8
149.05988	2.8
169.04994	3.0
173.09619	4.9
191.10661	25.1
192.80788	1.7
197.13272	3.9
199.45844	1.7
201.09126	12.7
215.78009	1.7
243.13802	81.4
261.14886	5.5
266.35068	1.7
289.14355	15.8
307.15454	5.7
327.19525	14.2
329.21243	3.5
349.15723	1.7
373.20093	82.9
374.20547	2.4
391.21115	100.0
408.59363	1.8
522.34149	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	521.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46622	0.8
67.16703	0.8
68.05631	0.7
71.80289	1.1
73.04786	0.9
75.91054	0.8
83.06117	1.8
91.05809	1.1
108.11086	0.7
115.05446	0.9
117.05760	0.9
117.07029	1.2
118.06532	18.1
130.06497	1.5
132.08060	5.8
139.03888	1.9
142.06482	1.1
143.07364	2.4
144.08069	12.2
145.02780	0.9
146.05991	60.5
147.04451	1.0
155.08073	0.9
159.09171	5.6
160.07584	0.9
163.03877	10.3
167.05574	1.2
170.05980	4.3
175.68221	0.7
181.04910	1.0
188.07043	100.0
189.07353	2.5
205.09702	48.0
206.10027	1.3
222.07564	1.0
243.59085	0.9
299.06100	1.2
301.05988	1.5
305.22052	0.8
333.08704	1.2
463.50949	0.9
503.11719	1.3
521.11591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01857	2.4
55.05503	25.2
57.03169	0.9
57.03428	16.0
57.06812	0.7
57.07069	10.5
59.05008	0.6
65.03914	1.0
67.05144	1.0
67.05490	13.8
69.03404	2.0
69.07056	25.7
71.04969	2.5
71.08622	7.0
71.81363	1.2
79.05482	11.7
81.03405	74.7
81.07041	15.6
83.04969	4.6
83.08606	33.0
85.02874	0.8
85.06538	0.7
85.10165	3.3
91.05466	16.4
93.07031	10.6
95.04954	20.7
95.08092	0.8
95.08598	8.4
97.02887	1.6
97.06522	3.4
97.10152	14.9
99.08108	0.8
105.07018	13.5
107.04926	4.1
107.08577	7.8
109.06498	2.6
109.10153	3.4
111.04408	1.6
111.08054	6.2
111.11713	4.6
115.05436	1.5
117.07021	1.7
117.55166	0.6
118.13615	0.7
119.04878	0.9
119.08558	11.3
121.06487	2.8
121.10110	7.9
123.04415	1.4
123.08025	1.7
123.11657	1.9
125.09579	1.7
129.07005	7.1
131.08566	6.5
133.06496	3.3
133.10094	4.0
135.08067	0.8
135.11641	4.6
142.07767	1.3
145.10071	1.9
147.08014	3.0
147.11642	6.3
149.09531	3.2
157.10124	8.0
163.11182	1.6
165.12769	1.5
175.11137	7.0
193.12225	38.9
195.02885	0.8
211.13284	2.7
216.18956	0.8
237.22188	1.0
249.14839	2.6
267.15875	100.0
268.15994	0.9
298.90347	0.7
311.25757	63.0
312.26334	0.8
411.33298	0.7
429.33716	3.1
503.37259	33.4
504.37314	1.3
521.38409	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	521.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.5
71.46004	0.3
71.46339	0.3
81.07034	0.3
81.11179	0.2
85.02841	0.5
90.96441	0.2
99.00702	0.2
107.04903	0.3
114.48862	0.2
116.82281	0.2
137.05977	0.3
161.05894	0.2
166.90796	0.2
173.13147	0.2
174.13646	0.2
181.06535	0.2
239.41270	0.2
240.04189	0.5
268.03619	32.2
269.04044	0.5
278.83823	0.2
283.05963	100.0
284.06284	1.1
341.09991	0.3
445.11188	2.3
542.85913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
56.83812	0.6
65.03902	1.0
66.39040	0.6
68.99790	1.4
69.03052	1.2
69.03419	18.4
69.73669	1.4
69.74075	4.3
75.19678	0.6
79.05470	0.7
81.03410	1.5
85.02868	1.4
90.11566	0.6
93.03384	0.9
97.02878	100.0
107.04942	1.0
115.03871	0.8
119.04990	0.7
121.02843	9.1
127.03883	4.0
131.04851	0.8
133.02846	1.0
135.04402	0.9
137.02313	14.5
139.03880	40.0
147.04411	2.1
153.01784	3.2
157.04942	15.9
161.02324	0.7
163.03914	2.5
165.01770	4.7
175.03891	2.6
177.01784	1.3
179.03429	1.6
181.01343	2.1
183.02908	2.2
187.03818	0.8
189.01875	1.1
189.05527	0.6
191.03406	1.6
197.05946	1.0
199.05933	4.3
201.05414	0.8
203.03363	10.3
205.05075	1.1
207.02913	1.2
207.07747	0.6
213.05263	0.7
215.03395	2.8
219.02963	1.4
219.46939	0.7
221.04456	2.1
223.02472	0.8
225.05426	1.6
229.04944	2.3
231.02846	15.4
233.04393	1.8
235.75960	1.0
238.99474	0.8
249.03833	5.6
253.04944	2.6
255.03043	0.8
257.04501	2.0
259.08145	1.8
263.05588	1.0
271.05667	1.0
273.04034	4.0
273.06961	0.9
275.05496	4.5
281.04453	3.1
287.05426	1.1
287.43945	0.7
291.05106	1.6
295.05869	1.4
299.05469	1.8
313.06973	3.4
323.05429	2.7
329.06442	2.7
341.06509	45.7
352.43839	0.7
359.07739	2.1
371.07605	2.8
383.07663	0.9
401.08716	2.5
439.77267	0.8
521.14355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00525	0.3
53.00317	0.4
55.01852	0.6
55.05507	0.3
65.03951	0.4
67.05494	0.5
68.81239	0.3
68.99784	0.7
69.03419	5.7
70.03441	1.8
72.91743	0.3
81.03403	0.9
81.07050	0.5
85.02885	1.0
91.05453	0.6
93.03387	0.4
93.07074	0.4
94.59230	0.3
95.08587	0.4
97.02879	100.0
98.03223	0.5
107.04932	0.5
109.10136	0.5
111.90791	0.3
115.03928	0.9
121.02853	2.9
123.04417	0.4
127.03890	2.2
135.04385	0.4
137.02332	8.6
137.05888	0.4
139.03880	58.8
147.04387	1.2
153.01801	1.1
157.04959	6.5
161.02400	0.3
163.03926	1.4
163.07315	0.3
165.01831	2.5
171.20726	0.3
175.03857	1.4
177.01793	1.1
177.05400	0.5
178.99591	0.3
179.03391	0.9
183.02869	0.6
187.03937	0.4
189.01804	0.7
191.03333	0.7
199.06003	1.8
201.47705	0.3
203.03357	4.0
205.01337	0.4
205.04944	1.2
207.02873	1.1
213.05396	0.5
215.03455	1.6
221.04465	1.2
223.02264	0.5
225.05452	0.6
229.04968	0.7
231.02869	5.3
233.04410	1.6
237.18520	0.4
238.18895	0.4
249.03821	2.7
253.04932	1.3
257.04343	1.4
259.08087	7.4
259.10651	0.6
263.05359	0.4
271.05966	0.7
273.03998	0.3
275.05411	1.2
281.04443	1.4
287.05484	1.0
295.06021	0.6
297.03687	0.3
299.05405	1.0
313.06897	1.1
323.05502	0.8
341.06516	14.5
359.07401	1.9
383.07526	0.4
395.09836	0.4
401.08676	0.7
420.15155	0.3
527.38641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
65.03931	0.6
67.05491	0.8
68.99778	1.2
69.03421	13.5
70.92162	0.8
70.92499	0.7
79.05477	0.6
81.03407	1.7
81.07044	1.0
84.08141	6.6
85.02888	2.3
86.06010	0.5
88.41875	0.5
91.05455	0.8
93.03407	0.9
95.04984	0.6
95.08607	0.7
97.02881	100.0
103.05457	1.2
105.07034	0.8
107.04933	1.4
109.02823	0.5
109.06566	0.5
115.03927	1.1
119.04922	0.8
121.02874	7.2
121.06440	0.5
121.10140	0.5
123.04444	0.9
127.03874	3.3
130.08647	0.6
131.04889	0.9
135.04411	1.2
137.02322	12.4
137.05946	5.0
139.03883	45.2
146.33380	0.5
147.04414	2.2
151.07607	0.5
153.01848	0.7
157.04950	13.0
161.02267	0.8
161.06021	1.8
163.03960	1.5
163.07547	1.7
165.01865	1.9
167.05527	0.7
175.03925	2.0
175.07446	0.7
177.01866	0.9
178.99829	0.6
179.03403	1.5
181.01292	1.4
183.02901	1.5
187.03943	0.9
189.01831	1.3
189.09108	0.9
191.03416	1.0
191.14284	0.6
197.06113	0.5
199.05994	3.0
201.05476	0.5
203.03374	5.8
205.04872	0.9
207.02875	1.4
207.10219	0.7
209.15405	0.6
215.03455	1.1
217.08559	0.5
219.02953	0.8
221.04483	1.6
223.02438	0.6
225.05666	0.5
229.04948	0.8
231.02867	12.7
249.03862	5.2
253.04971	2.1
257.04456	1.1
259.08075	3.0
263.05481	0.7
273.03946	2.5
275.05588	2.8
281.04489	2.2
287.05551	1.5
291.05005	0.7
295.06247	1.1
296.22141	0.7
297.11237	0.7
299.05557	1.7
303.01480	2.5
303.04514	0.6
305.24591	0.5
313.07153	2.2
323.05588	2.3
329.06570	1.2
337.17737	0.6
341.06509	27.4
341.13449	1.0
359.07602	4.9
359.25418	3.4
401.08640	1.0
419.10062	0.8
485.21695	0.6
503.22083	0.9
521.24719	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	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05025	0.5
57.03416	0.2
57.07047	0.1
58.06310	0.2
58.06610	0.5
59.07376	0.1
60.08154	6.3
63.10813	0.1
64.40810	0.1
66.30057	0.1
67.05492	0.7
67.68771	0.1
69.07049	0.3
69.72002	0.4
69.72428	0.4
70.06567	0.1
71.07360	2.8
79.05486	0.1
81.07034	0.5
86.09689	28.6
87.10019	0.3
91.05480	0.1
93.07005	0.1
95.08590	0.3
98.98447	2.8
104.10725	2.8
105.07053	0.2
107.08591	0.1
109.10156	0.2
116.99483	0.1
124.99980	19.8
143.01019	0.3
151.59137	0.1
152.76726	0.1
166.02661	0.1
184.07310	100.0
185.07706	0.9
208.01920	0.1
214.93839	0.1
258.10983	0.2
262.40125	0.1
279.25479	0.1
337.27283	0.1
502.32861	1.1
520.33936	3.5
521.33984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3395
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05497	1.2
56.05023	1.4
57.03420	0.7
58.06569	1.2
59.07376	0.3
59.16825	0.2
59.47267	0.2
60.08155	17.9
66.39236	0.2
67.05492	3.4
69.07050	1.4
69.47062	1.8
69.47489	0.6
70.06595	0.2
71.07364	6.3
74.09705	0.2
74.18019	0.2
79.05488	1.0
81.07048	3.1
83.08634	0.6
86.09695	51.9
87.10011	0.4
91.05462	0.7
93.07033	1.0
95.08583	1.8
97.06509	0.4
97.10156	0.3
98.98454	3.6
99.64676	0.2
104.10731	100.0
105.06969	0.4
105.11048	0.7
107.08591	0.4
109.10146	0.5
119.08588	0.3
119.46574	0.2
121.10127	0.5
123.11684	0.2
124.99991	27.8
130.21429	0.2
143.01025	0.3
163.01535	0.6
184.07323	97.8
185.07677	0.6
258.11032	1.1
305.72562	0.2
337.27310	0.9
375.70206	0.2
443.25302	0.4
502.32895	7.7
503.21600	0.4
503.33041	0.5
520.33942	37.0
521.23077	0.3
521.34204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99032	0.7
53.03920	0.7
55.01846	1.2
55.05493	1.6
57.03408	2.8
57.07071	0.9
58.99565	2.8
67.05482	3.2
69.03420	32.7
69.07039	3.1
70.94540	1.2
70.94922	1.2
71.04981	1.2
73.00548	0.6
73.02910	4.4
76.02225	4.8
76.02861	0.8
76.04030	0.7
79.05476	2.7
81.03386	1.1
81.07051	4.9
83.04971	1.8
84.04491	1.2
85.02895	8.1
85.06525	2.4
86.00639	0.9
87.04445	3.3
91.05470	2.4
93.07038	4.1
95.04933	1.6
95.08598	6.0
97.02887	9.3
97.06522	2.2
102.05538	1.0
105.03380	12.0
105.07013	4.2
107.08570	9.1
109.02869	0.8
109.06505	12.3
109.10126	3.1
111.02646	1.0
111.08054	2.2
115.03922	5.8
116.01646	3.9
119.08553	2.5
121.06496	1.5
121.10126	6.9
123.04398	2.9
123.08040	2.9
123.11695	3.8
125.09620	13.0
127.03891	2.9
131.08557	5.4
133.04961	4.7
133.10132	5.3
135.08022	11.1
135.11658	3.1
137.05971	1.6
137.09639	0.9
139.03720	0.8
143.08598	1.0
144.01125	0.9
145.04910	2.5
145.10043	2.1
147.11658	2.6
149.09627	4.5
149.13237	3.0
151.11107	1.3
153.09065	5.2
158.10870	1.0
159.11659	1.0
161.05858	1.0
162.02180	2.9
163.11160	1.2
163.14844	2.1
165.12743	1.7
173.13258	13.5
179.04820	2.6
191.07016	3.3
191.14279	54.6
195.13625	0.9
209.08089	6.4
209.15346	100.0
210.15733	1.8
214.18092	0.8
252.13969	1.0
270.15009	1.9
288.16260	3.1
309.11557	0.8
340.12866	1.0
341.10178	2.5
359.11240	1.2
371.20013	1.0
373.17886	16.9
391.19089	1.1
445.20111	0.9
520.16998	1.2
520.24261	12.5
532.86414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01848	1.0
55.05500	0.6
57.03429	3.1
57.07056	1.7
58.99580	0.5
59.04982	0.8
61.02898	1.1
65.93414	0.5
66.11243	0.5
67.05482	2.1
69.03419	27.4
69.07057	1.6
69.61910	4.2
71.01326	0.6
71.04975	1.7
71.84088	0.5
73.02901	2.1
76.02202	0.9
79.05476	2.1
81.03403	1.1
81.07045	4.6
83.04951	2.3
83.08633	0.7
85.02895	9.4
85.06532	1.9
86.09697	0.5
87.04460	4.2
91.05471	2.0
93.07035	2.2
95.04921	1.4
95.08595	5.2
95.17221	0.5
97.02870	7.5
97.06517	1.9
98.21477	0.9
99.04448	2.6
103.03946	4.2
105.03381	1.6
105.07030	3.5
107.04908	0.6
107.08578	7.1
109.02864	1.6
109.06503	17.9
109.10145	5.7
111.08066	1.8
115.03915	5.4
116.01617	0.8
117.07000	0.8
119.08517	2.5
121.06499	1.0
121.10127	6.7
123.08047	3.1
123.11668	2.9
125.09624	12.5
127.03905	5.7
131.08562	6.2
133.04970	4.3
133.10104	10.1
135.08037	10.8
135.11668	2.7
137.05922	0.8
139.03947	0.5
143.08591	0.7
145.04941	3.6
145.10085	2.4
147.11630	2.1
149.09610	3.9
149.13225	2.8
150.10463	0.5
151.11159	0.6
153.09093	5.8
158.10863	1.7
161.09647	0.7
162.02254	1.2
163.06035	2.9
163.11153	1.7
163.14766	2.5
165.12755	2.4
173.13231	17.5
176.11966	0.6
179.04831	1.0
179.93370	0.5
191.14284	64.0
192.14597	1.2
197.82932	0.5
202.58307	0.4
209.15341	100.0
210.15732	1.4
252.14114	0.6
270.15042	0.6
288.16138	0.5
289.09131	0.8
299.05838	0.7
307.09937	0.7
358.12805	1.3
359.11133	0.7
373.17831	5.4
434.42993	0.5
520.24432	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	520.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.16616	0.4
55.01863	1.8
55.05485	0.7
57.03429	2.7
61.02905	1.5
67.05496	1.5
67.49738	0.5
69.03419	4.4
69.07058	77.4
70.06557	0.7
70.07378	0.6
71.01319	0.6
71.04968	0.5
71.77734	0.8
73.02902	4.7
79.05476	5.4
81.03427	0.4
81.07042	1.3
85.02892	8.5
85.06526	0.5
87.04450	1.1
87.08093	100.0
91.05428	0.6
93.07027	0.9
95.04963	0.9
95.08591	1.3
97.02888	5.5
99.04421	0.7
104.07088	0.5
105.03387	6.3
105.07014	0.6
105.09109	1.9
109.02847	0.7
109.06499	1.1
109.10129	0.9
115.03901	2.5
116.10735	0.6
119.08568	0.6
120.08048	0.4
121.10130	0.8
123.04417	17.6
127.03886	1.6
128.10703	1.1
131.08521	0.7
132.06546	0.5
133.04953	2.7
133.10054	0.5
137.05945	2.0
145.04921	2.0
145.10149	0.5
151.03825	1.7
159.11662	0.5
161.05939	0.6
161.13211	0.5
165.05464	0.4
167.06969	0.6
173.13228	0.8
184.54532	0.4
191.10590	1.1
191.14166	0.7
201.16322	0.9
206.08926	0.5
209.11702	26.8
209.14914	0.9
214.18013	3.1
215.70677	0.5
219.17403	0.7
221.11678	0.6
277.69882	0.6
304.23520	0.5
340.25385	0.8
341.05914	0.5
359.10922	0.5
373.16364	0.9
416.92361	0.6
520.05713	0.6
520.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.16616	0.4
55.01863	1.8
55.05485	0.7
57.03429	2.7
61.02905	1.5
67.05496	1.5
67.49738	0.5
69.03419	4.4
69.07058	77.4
70.06557	0.7
70.07378	0.6
71.01319	0.6
71.04968	0.5
71.77734	0.8
73.02902	4.7
79.05476	5.4
81.03427	0.4
81.07042	1.3
85.02892	8.5
85.06526	0.5
87.04450	1.1
87.08093	100.0
91.05428	0.6
93.07027	0.9
95.04963	0.9
95.08591	1.3
97.02888	5.5
99.04421	0.7
104.07088	0.5
105.03387	6.3
105.07014	0.6
105.09109	1.9
109.02847	0.7
109.06499	1.1
109.10129	0.9
115.03901	2.5
116.10735	0.6
119.08568	0.6
120.08048	0.4
121.10130	0.8
123.04417	17.6
127.03886	1.6
128.10703	1.1
131.08521	0.7
132.06546	0.5
133.04953	2.7
133.10054	0.5
137.05945	2.0
145.04921	2.0
145.10149	0.5
151.03825	1.7
159.11662	0.5
161.05939	0.6
161.13211	0.5
165.05464	0.4
167.06969	0.6
173.13228	0.8
184.54532	0.4
191.10590	1.1
191.14166	0.7
201.16322	0.9
206.08926	0.5
209.11702	26.8
209.14914	0.9
214.18013	3.1
215.70677	0.5
219.17403	0.7
221.11678	0.6
277.69882	0.6
304.23520	0.5
340.25385	0.8
341.05914	0.5
359.10922	0.5
373.16364	0.9
416.92361	0.6
520.05713	0.6
520.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.4
65.38115	0.2
71.10863	0.6
71.11190	0.2
74.45287	0.2
79.05476	0.9
89.03910	1.1
91.05467	0.6
93.07042	1.3
97.01377	0.3
98.97613	0.4
103.05453	5.9
107.04970	1.9
117.03371	1.1
119.04962	0.3
120.08090	100.0
121.08466	0.6
131.04922	2.7
135.04391	2.7
144.19833	0.3
145.02844	2.2
147.04416	1.2
149.05920	1.7
158.99736	0.3
163.03888	24.9
163.57430	0.2
164.04189	0.5
166.08618	50.9
167.08989	0.3
184.56735	0.3
237.02780	0.4
240.39403	0.2
290.14835	0.3
410.69443	0.3
422.11798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01861	2.0
55.05489	2.8
56.05029	3.7
56.40177	0.7
58.99578	12.2
67.05496	12.4
68.05024	1.0
69.03407	5.7
69.07047	2.9
69.91463	1.5
69.91885	3.6
71.04966	1.9
73.01152	0.8
74.00634	1.9
76.02217	30.6
76.03978	2.5
79.05476	5.6
80.04960	1.0
81.05771	0.8
81.07046	17.4
82.06549	1.3
83.04955	1.3
83.06082	2.8
83.08598	3.1
84.04494	9.2
85.01102	0.8
85.02867	2.9
85.06523	1.3
86.00644	6.4
86.09695	0.9
86.99039	4.7
87.02663	2.1
88.02206	3.6
91.05454	5.4
93.07027	10.4
94.06562	1.8
94.41676	0.7
95.04939	1.4
95.08595	6.3
96.08084	1.2
97.01108	6.0
97.02864	1.2
97.06506	2.8
99.02693	1.2
99.05588	0.9
100.02196	1.1
102.05527	3.0
105.06987	5.0
107.04955	1.0
107.08578	6.9
109.06504	4.0
109.10132	2.4
111.02652	6.0
111.08065	2.2
112.03959	1.1
114.03746	2.0
116.01672	20.9
117.07010	2.6
119.04851	0.8
119.08562	2.6
120.08125	0.8
121.10101	3.8
123.02596	1.1
123.04412	0.9
123.11679	2.3
129.06526	4.2
130.04959	2.9
131.08549	5.0
133.04956	0.8
133.10120	6.0
135.08026	2.2
135.11655	3.8
137.04166	1.7
137.06032	0.8
142.03171	4.3
143.02649	1.5
144.01114	9.7
145.06093	1.1
145.10117	0.9
147.04436	0.8
147.11690	2.0
149.09589	1.4
149.13235	7.5
151.03877	0.7
151.11163	2.1
159.11719	3.7
161.05923	0.9
162.02188	19.6
163.06024	0.9
170.02757	0.8
173.13222	3.0
177.12770	4.6
179.04822	16.5
183.08458	1.0
183.11940	0.8
187.05324	1.7
189.03307	1.1
191.08896	1.2
191.14285	3.7
194.15385	2.0
195.13802	6.5
201.12810	1.2
207.11952	1.2
209.15346	10.0
212.16415	4.2
213.14821	5.0
217.10399	1.4
218.15385	1.0
219.13806	1.3
223.11546	0.9
224.16479	1.3
225.12918	0.8
226.12575	2.9
233.05907	2.6
235.11583	1.9
243.02971	2.3
244.13560	2.2
245.05939	1.3
252.14154	6.9
253.12611	2.9
258.05240	1.4
270.14868	15.0
270.17581	2.0
273.07565	2.7
288.16257	16.7
298.14764	2.1
308.09192	3.5
312.12619	1.8
324.17950	1.3
327.17273	1.8
339.13586	1.1
355.16769	3.0
362.25159	0.8
373.17877	100.0
374.18222	1.7
391.18948	7.9
427.18909	1.0
445.19931	6.6
502.22559	3.4
503.20465	1.0
520.23267	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	519.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01857	1.1
55.05483	1.6
57.07063	0.8
67.05482	1.8
69.06741	0.7
69.07059	9.0
75.46690	0.4
79.05462	1.7
79.72913	0.6
81.03404	4.2
81.07045	3.6
83.08611	0.7
91.05432	0.8
93.03397	0.5
93.07009	2.2
95.04957	3.2
95.08578	2.1
95.12885	0.5
97.06468	0.5
97.85168	0.5
99.00793	0.6
105.03379	25.9
105.06998	0.9
107.08559	2.2
109.02865	10.2
109.10133	2.6
119.08591	0.5
121.02822	1.0
121.06516	0.6
121.10140	0.6
123.11694	5.4
133.01001	0.5
133.10127	0.8
135.00717	0.5
135.04321	1.2
135.08028	1.3
135.11707	2.6
141.01761	0.7
144.35466	0.6
149.02327	1.4
151.03880	1.2
163.03882	3.2
165.01814	2.8
167.03383	1.4
169.01250	1.4
171.40694	0.5
175.07547	0.7
177.01811	15.7
177.03377	0.8
177.05374	1.1
179.03424	2.7
181.04892	2.2
183.02856	2.6
189.01830	1.2
189.05426	1.3
191.03355	1.7
195.02870	100.0
197.04456	1.3
201.05467	1.2
205.08652	0.6
207.02878	1.9
209.04359	1.0
215.03426	0.7
215.06946	0.6
217.04977	1.0
217.08546	1.0
219.10104	5.7
229.04880	0.9
229.08578	1.8
231.06560	2.7
231.10179	0.7
233.04428	1.0
235.06046	0.7
237.07549	0.7
243.06497	4.9
243.10049	0.5
246.73769	0.5
249.07527	1.3
255.06503	46.7
257.08069	7.0
261.07550	1.0
267.06461	1.9
269.08020	1.9
273.14813	1.1
276.35550	0.5
283.09430	0.5
285.14850	4.5
295.09543	1.1
297.11060	1.9
299.12805	1.5
303.15787	2.5
309.11118	4.5
311.12735	8.9
311.16122	0.9
313.18427	0.5
317.13635	0.7
321.11206	1.7
323.12711	0.9
323.98929	0.5
341.21063	5.8
359.22299	3.1
365.17401	1.8
377.17435	18.0
378.17560	0.6
379.67920	0.5
395.18497	80.6
396.18912	1.4
397.27231	1.2
402.21628	0.6
407.18530	0.8
433.23685	1.3
449.22800	0.9
451.24875	2.2
463.24600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3098
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
51.02371	0.5
53.03924	1.6
53.29842	0.4
55.01852	0.4
55.05486	0.7
57.58485	0.4
59.69024	0.4
61.62401	0.4
67.05484	1.3
69.07050	3.2
69.77299	2.9
69.77705	1.0
77.03933	0.5
79.05466	0.7
81.03396	3.1
81.07048	2.0
83.08588	0.6
91.05442	1.3
91.71176	0.4
93.07024	3.9
95.04961	2.7
95.08572	2.5
105.03378	20.4
105.06992	1.3
107.08571	5.1
109.02853	7.0
109.10110	1.9
112.50546	0.4
119.08574	0.9
121.02840	0.8
121.10124	0.4
123.11682	4.2
135.04382	0.5
135.11664	6.6
141.01778	0.8
149.02309	1.1
151.03874	0.6
160.38799	0.4
163.02710	0.6
163.03847	3.0
165.01820	3.7
167.03387	1.0
169.01314	1.0
177.01791	17.6
179.03477	0.5
181.04898	1.5
183.02840	2.2
191.03299	0.6
195.02863	100.0
196.03188	1.2
201.05173	0.4
203.06886	0.5
209.04475	0.6
219.10112	6.0
231.06355	0.6
233.08052	0.9
243.06570	5.6
255.06483	63.2
256.06796	1.6
267.13852	1.0
269.07913	1.0
281.11606	0.6
285.14795	1.9
297.11102	0.5
299.12714	1.1
309.11209	1.9
311.12723	34.3
312.13016	0.8
323.12650	0.8
341.21063	5.6
354.98944	0.4
359.16367	1.2
365.17572	0.5
375.16037	0.6
375.21344	0.5
377.17426	57.9
378.17993	1.1
379.19058	1.2
389.17459	1.2
395.18579	2.2
431.22083	1.7
433.23712	4.3
445.23730	6.4
519.37024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16996	0.5
50.29024	0.4
53.03928	0.9
55.01852	0.9
55.05486	1.2
56.53351	0.5
57.07056	0.8
67.05493	2.6
69.07059	5.6
69.75728	3.7
77.03925	1.1
78.20231	0.5
79.05466	1.3
81.03409	2.0
81.07059	2.4
84.31847	0.5
91.05479	1.2
93.07036	3.5
94.06549	1.1
95.04951	3.3
95.06053	0.5
95.08592	2.0
105.03379	31.5
105.07031	0.7
107.04929	0.7
107.08578	2.2
109.02863	3.0
109.10163	4.2
119.08536	0.7
120.50050	0.4
121.02856	0.5
121.06455	1.0
121.10087	0.5
121.73762	0.4
123.04421	1.8
123.11691	3.4
123.62571	0.4
124.02158	0.4
129.06982	0.7
135.04399	0.8
135.08061	0.7
135.11673	3.8
141.01801	2.0
145.13498	0.5
147.08025	1.5
149.02350	0.7
151.03914	0.8
153.12732	0.6
155.08549	0.5
157.06371	0.5
163.03873	1.3
165.01859	3.4
167.03380	1.5
169.01315	1.3
172.24229	0.4
175.07486	0.7
177.01804	5.6
177.05406	2.2
179.03369	1.1
181.04868	0.6
183.02878	3.9
189.05148	0.5
191.03358	22.6
193.05037	0.6
195.02859	35.0
196.03204	0.6
201.05467	0.5
205.04904	0.7
209.04430	22.8
215.03372	2.3
215.06953	0.7
217.04973	1.4
219.06461	1.0
219.10062	0.5
221.04254	0.5
225.51834	0.5
229.05046	0.7
229.08563	2.9
231.06494	1.5
233.04477	1.0
235.05838	0.6
243.06508	12.0
245.08014	1.5
255.06496	16.3
255.09151	1.0
257.08182	2.3
261.07532	3.9
269.08063	27.1
270.08328	0.5
273.14786	0.6
275.09085	0.8
283.09894	1.1
285.14816	5.0
293.08017	3.4
295.09595	6.7
297.11197	1.0
299.12772	3.7
307.09589	0.6
309.11209	1.9
311.12869	2.4
317.13785	2.4
321.11182	7.4
323.12799	1.3
341.21085	5.0
359.22028	2.1
365.17429	1.5
377.17429	100.0
378.17758	2.0
389.17633	0.6
395.18484	46.0
396.18515	1.0
431.22098	3.9
433.23730	12.4
445.23788	6.6
449.22964	1.1
451.24765	3.2
463.24542	1.8
519.23767	0.5
519.40515	1.1
520.13275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01870	1.1
55.05505	1.3
55.96455	0.5
57.07081	0.6
58.99715	0.4
67.05497	2.7
68.99781	0.7
69.07060	7.8
69.41636	0.5
73.29922	0.5
76.92469	0.5
77.03940	0.5
79.05481	1.3
81.03415	2.1
81.07040	2.7
83.08621	0.9
91.05464	1.2
93.07043	4.7
95.04953	4.7
95.08598	2.0
98.20735	1.1
105.03380	35.5
105.07014	1.4
107.04985	0.9
107.08569	2.6
109.02241	0.5
109.02858	2.8
109.10133	5.3
119.04929	0.7
119.08572	1.1
121.06495	1.6
123.04417	2.2
123.11684	4.1
129.06995	1.1
133.10126	1.0
135.04388	0.6
135.08070	0.7
135.11665	4.7
141.01822	1.8
147.08066	2.2
149.02342	0.8
151.03899	1.1
155.08618	0.5
157.06587	0.5
163.03906	1.8
165.01846	4.5
167.03426	2.0
169.01331	1.0
175.03986	0.7
177.01807	6.1
177.05440	2.8
179.03407	1.6
183.02878	5.2
189.05466	0.9
191.01567	0.8
191.01971	0.3
191.03368	26.5
195.02867	44.1
201.01967	0.5
205.05046	0.5
209.04433	27.3
215.03349	2.4
217.05016	1.3
217.08578	0.7
219.06450	1.0
223.05965	0.5
229.04965	1.5
229.08525	3.3
231.06567	1.7
233.04506	1.4
235.06023	1.1
237.07573	1.0
243.06535	14.2
245.08078	1.5
249.07500	1.0
251.07068	0.6
255.06506	19.6
257.08032	3.3
261.07498	4.6
261.38525	0.6
269.08066	29.1
270.08688	0.6
271.09583	0.7
281.08002	1.1
283.09610	1.0
285.14764	5.4
293.07974	3.4
295.09628	9.4
297.11285	1.2
299.12802	4.1
309.11240	2.7
311.12778	2.4
314.99683	0.5
317.13931	3.3
321.11191	10.5
323.12772	1.6
331.55145	0.6
335.12701	1.1
341.21063	3.3
359.16086	0.6
359.17764	0.6
359.22083	5.3
365.17410	1.5
375.15848	0.7
377.17438	100.0
378.17703	1.3
383.18433	1.8
389.17538	0.8
395.18491	91.8
396.18872	1.3
431.22141	6.7
433.23657	14.7
445.23779	7.9
449.23096	1.7
451.24789	7.8
463.24692	4.0
501.30017	1.3
519.23578	1.2
519.30841	1.2
519.40210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3108
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
51.02365	0.4
53.03930	1.5
55.01859	0.8
55.05494	1.2
57.07074	0.3
57.72220	0.3
67.05495	2.1
68.99781	0.4
69.07063	3.8
69.73430	1.5
69.73856	1.0
73.66067	0.3
75.90395	0.3
77.03938	0.4
79.05477	1.3
79.93871	0.3
81.03399	1.4
81.07060	3.0
83.08630	0.3
91.05463	1.2
93.07040	5.5
95.01376	0.3
95.04958	2.9
95.08603	2.5
103.91633	0.3
105.03381	27.9
105.07005	1.2
107.04927	0.4
107.08574	3.3
109.02870	3.7
109.10139	3.9
119.08561	0.7
121.02853	0.6
121.06495	1.0
121.10107	0.4
123.04409	2.1
123.11679	3.2
129.06999	0.5
133.10121	0.7
135.04396	1.3
135.08060	0.5
135.11671	8.5
141.01826	1.6
147.08032	1.5
149.02318	1.0
149.06009	0.4
149.09641	0.3
151.03883	0.6
151.83826	0.4
153.12730	0.8
157.06517	0.5
161.09557	0.4
163.03906	1.7
165.01822	3.0
165.05594	0.4
167.03392	1.5
169.01324	1.0
169.15167	0.3
173.05989	0.4
177.01817	5.9
177.05438	5.0
179.03374	0.7
181.04987	0.8
183.02872	3.3
191.03375	22.6
195.02872	35.8
201.05440	0.9
203.03349	0.8
205.04901	0.9
209.04439	21.5
215.03464	2.0
215.06960	0.8
217.04944	1.0
217.08624	0.5
219.02948	0.5
219.06551	1.1
219.10066	0.5
229.04938	0.9
229.08551	4.5
231.06575	1.1
233.04445	0.6
233.11748	1.1
239.06970	0.5
243.06503	9.3
243.10173	0.5
245.08037	0.9
249.07382	0.4
255.06494	17.3
257.08084	1.3
259.13373	0.4
261.07559	2.9
269.08060	20.8
273.14850	0.6
275.09201	0.4
283.09683	0.6
285.14767	8.1
285.17770	0.5
293.08115	2.0
295.09567	4.7
297.11258	0.6
299.12766	3.2
309.11285	0.9
311.09253	0.3
311.12720	10.0
317.13901	1.7
321.11224	5.4
323.12848	0.8
333.11273	0.4
335.12784	0.7
341.21088	11.7
365.17459	0.8
377.17444	100.0
378.17731	1.5
389.17465	1.3
395.18604	2.0
431.22205	2.5
433.23700	6.4
445.23718	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	519.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01873	1.4
55.05493	2.6
56.28867	0.7
57.07059	1.3
58.01734	0.7
67.05481	2.3
69.07055	7.2
69.54189	8.5
77.03899	0.9
79.05488	2.3
81.03396	3.6
81.07030	3.6
83.08598	2.0
91.05445	1.3
93.07025	2.9
95.04961	4.7
95.08567	2.3
97.10144	1.9
98.21404	1.6
105.03378	55.9
105.06963	1.6
107.08590	3.3
109.02874	7.5
109.10134	2.4
121.02801	1.2
121.06421	1.3
121.10133	1.3
123.11684	7.0
135.04379	1.7
135.08037	0.9
135.11667	3.5
151.03908	1.3
163.03897	4.8
165.01801	2.7
168.36954	0.8
169.01250	1.1
177.01810	18.1
181.04912	2.9
183.02881	1.6
189.01855	1.1
189.05484	1.0
191.03362	1.9
195.02864	100.0
196.03255	1.2
203.07121	0.8
205.05043	0.8
209.04425	1.3
215.03445	1.3
217.04892	0.9
219.10162	12.9
227.12703	1.5
229.04903	1.2
231.06416	1.9
233.08025	1.2
243.06471	3.4
249.07530	0.9
255.06488	62.9
257.08035	1.6
267.06464	1.0
267.13632	1.3
269.08054	1.9
273.14453	0.8
281.07880	0.9
285.14694	3.8
293.08197	1.3
295.09552	2.3
297.11276	1.2
299.12662	1.3
309.11194	2.6
311.12741	25.0
321.11111	1.9
323.12695	2.1
337.14267	1.4
341.21051	11.4
351.15924	3.0
359.22058	2.5
377.17407	53.5
378.17636	1.9
379.18936	6.9
389.17215	0.9
393.16833	2.6
395.18509	9.2
397.27652	1.1
431.22119	1.2
433.23608	20.7
445.23663	9.7
501.29889	1.1
519.36060	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	519.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
54.24580	0.9
55.01865	1.6
55.05495	1.0
59.12066	0.9
67.05499	2.7
69.07051	5.6
69.73515	8.1
71.22350	0.9
81.03424	5.9
81.07040	4.0
83.74933	1.2
91.05465	1.5
93.07023	3.3
95.04955	4.6
95.08590	1.8
98.30785	1.4
105.03377	57.2
107.08569	4.0
109.02860	10.3
109.10139	4.6
123.04385	1.2
123.11692	7.9
135.04379	1.5
135.11671	3.1
151.03922	2.3
161.82144	1.0
163.03859	5.1
165.01834	4.5
169.01364	1.6
177.01819	21.4
179.03391	2.2
179.05055	1.0
181.04906	1.9
183.02820	3.3
191.03366	15.1
195.02869	100.0
196.03032	1.2
201.05519	1.2
209.04428	9.3
213.74548	1.0
215.03238	1.6
217.04935	1.4
219.10138	6.9
229.08623	2.2
231.06467	2.3
243.06493	9.2
255.06491	52.4
257.08127	7.0
261.07651	1.3
269.08057	13.5
283.09613	1.4
285.14716	5.4
293.08118	1.4
295.09644	5.3
299.12701	3.0
309.11169	2.6
311.12744	24.9
317.13675	1.7
321.11139	2.7
321.45074	1.1
323.12857	1.6
341.21072	7.8
359.21942	1.9
377.17441	98.3
378.17770	2.6
379.18915	3.9
395.18460	17.5
431.22296	2.4
433.23532	9.5
445.23633	9.1
449.23035	1.6
451.24716	1.5
519.40277	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	519.3099
Annotation	Sampsonione B
Peak:m/z	Relative Intensity
53.03937	2.9
59.89394	0.8
69.07042	2.2
69.60970	5.9
69.61417	1.8
79.05476	1.1
81.03396	3.1
81.07049	1.3
93.07017	1.3
95.04948	3.9
98.21451	1.7
105.03377	40.6
107.05029	0.7
107.08561	2.2
109.02157	1.1
109.02859	11.2
123.11699	3.4
124.48480	0.7
129.30144	0.8
135.11688	2.2
143.89513	0.8
149.02292	1.1
163.03850	3.5
165.01808	3.2
177.01804	23.7
181.04898	2.2
195.02864	100.0
219.10112	9.4
226.12180	1.0
231.06648	1.5
243.06511	2.4
255.06487	60.2
255.89111	0.9
260.58029	0.8
267.13843	1.2
285.14587	1.5
309.11264	1.7
311.12726	38.4
323.12598	2.2
323.20413	1.0
341.20923	5.2
359.22372	0.8
377.17413	45.0
379.18906	8.5
389.17627	1.0
395.18527	3.3
423.18591	0.9
433.23813	4.3
445.23666	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	519.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01854	3.7
55.05505	3.6
57.03432	9.0
61.02916	9.8
65.03925	1.2
66.19279	1.3
67.05493	4.2
67.79208	1.1
68.99783	1.5
69.03046	2.4
69.03422	34.4
69.07040	4.9
69.75112	5.2
69.75549	5.5
71.01357	1.6
71.04971	9.2
72.05320	1.7
73.02901	6.2
76.80476	1.5
79.05481	8.6
81.03411	12.2
81.07045	7.9
83.04976	2.6
83.88586	1.3
85.02393	2.7
85.02895	53.5
87.04466	8.9
91.03944	2.6
91.05424	2.5
93.07033	5.6
95.04933	7.7
95.08595	5.6
97.02881	23.4
97.06509	6.8
99.04457	7.4
103.05442	2.2
105.06998	7.6
107.04957	2.4
107.08568	4.9
109.02874	8.2
109.06503	5.8
109.10143	3.8
111.04422	26.0
115.05452	1.3
117.06995	3.9
119.08565	5.4
121.06486	6.0
121.10121	3.1
123.04431	7.6
123.08048	1.4
123.11687	2.1
124.05181	6.7
125.02366	6.8
125.03170	1.4
125.05982	1.8
125.09596	2.2
127.03888	15.2
127.11156	1.4
128.06169	1.6
129.06975	4.3
131.04887	2.5
131.08554	2.1
132.61833	1.4
133.06453	6.1
133.10091	3.0
135.04401	3.9
135.08012	2.9
135.11691	1.9
137.05948	24.2
139.03882	59.1
143.08621	2.1
143.10648	5.0
145.04892	7.5
145.06433	4.4
145.10089	5.1
147.04399	2.4
147.07927	2.2
147.11661	3.1
148.11998	1.9
149.05959	4.8
149.09621	2.1
151.03882	4.4
151.07530	6.1
153.05444	5.3
155.03362	10.3
157.10106	1.5
158.07211	2.1
159.08018	3.4
159.11702	2.4
160.05194	1.6
161.05975	15.9
162.06680	2.4
163.03897	7.6
163.07491	4.3
165.05475	2.1
167.05551	3.3
167.06929	2.4
169.12280	2.7
173.05952	3.2
174.06789	3.4
175.04002	1.5
175.07507	8.2
175.11229	2.0
176.04700	1.4
176.08139	1.5
177.05475	14.0
177.09065	6.8
179.06972	1.6
185.06049	2.0
187.07472	7.0
188.08298	3.4
189.05426	5.3
189.09068	7.7
190.06215	3.1
190.09860	4.0
191.07004	10.9
191.10690	1.9
193.04916	2.6
193.08559	2.3
199.07617	2.4
201.05452	3.3
201.09081	2.7
203.07036	11.3
203.10632	6.2
205.04912	6.6
205.08559	41.5
215.06982	4.9
216.04147	5.9
217.05096	2.9
217.08580	14.0
218.09332	12.2
219.06511	2.3
219.10158	12.7
221.08032	6.0
225.09140	1.6
225.11209	2.0
227.07037	2.9
229.08661	1.9
230.05711	3.1
231.06479	34.5
233.08073	24.4
234.08812	2.1
241.08568	1.6
243.06519	6.2
243.09927	1.8
245.04462	1.7
245.07990	2.3
257.08026	4.6
258.05136	2.2
258.08984	2.9
259.06012	20.1
259.09686	3.4
260.06793	5.2
261.07220	1.5
269.08017	1.4
271.05951	2.4
273.07568	17.9
274.08264	2.8
275.08960	9.7
277.07059	25.8
279.08521	4.0
281.07849	1.6
283.03006	2.0
283.05939	1.9
285.07559	4.2
285.10910	2.6
286.08420	2.6
287.09085	4.8
295.05914	3.4
297.07794	3.0
299.05988	5.1
299.09171	8.0
300.09753	2.2
301.07245	2.2
301.10626	24.8
303.04935	2.0
307.09592	2.4
309.07571	1.8
310.08255	2.4
311.09302	2.8
311.12671	2.9
313.07254	2.0
313.10535	6.9
315.05377	1.7
315.08698	8.1
321.11063	1.6
325.10568	2.1
327.08844	1.9
327.12186	7.5
329.13849	13.8
339.12180	18.2
344.97556	1.5
357.13300	100.0
367.11578	2.3
519.14056	2.2
519.20526	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	519.1857
Annotation	Phellamurin
Peak:m/z	Relative Intensity
53.03928	3.9
55.01854	3.7
55.05505	3.6
57.03432	9.0
61.02916	9.8
65.03925	1.2
66.19279	1.3
67.05493	4.2
67.79208	1.1
68.99783	1.5
69.03046	2.4
69.03422	34.4
69.07040	4.9
69.75112	5.2
69.75549	5.5
71.01357	1.6
71.04971	9.2
72.05320	1.7
73.02901	6.2
76.80476	1.5
79.05481	8.6
81.03411	12.2
81.07045	7.9
83.04976	2.6
83.88586	1.3
85.02393	2.7
85.02895	53.5
87.04466	8.9
91.03944	2.6
91.05424	2.5
93.07033	5.6
95.04933	7.7
95.08595	5.6
97.02881	23.4
97.06509	6.8
99.04457	7.4
103.05442	2.2
105.06998	7.6
107.04957	2.4
107.08568	4.9
109.02874	8.2
109.06503	5.8
109.10143	3.8
111.04422	26.0
115.05452	1.3
117.06995	3.9
119.08565	5.4
121.06486	6.0
121.10121	3.1
123.04431	7.6
123.08048	1.4
123.11687	2.1
124.05181	6.7
125.02366	6.8
125.03170	1.4
125.05982	1.8
125.09596	2.2
127.03888	15.2
127.11156	1.4
128.06169	1.6
129.06975	4.3
131.04887	2.5
131.08554	2.1
132.61833	1.4
133.06453	6.1
133.10091	3.0
135.04401	3.9
135.08012	2.9
135.11691	1.9
137.05948	24.2
139.03882	59.1
143.08621	2.1
143.10648	5.0
145.04892	7.5
145.06433	4.4
145.10089	5.1
147.04399	2.4
147.07927	2.2
147.11661	3.1
148.11998	1.9
149.05959	4.8
149.09621	2.1
151.03882	4.4
151.07530	6.1
153.05444	5.3
155.03362	10.3
157.10106	1.5
158.07211	2.1
159.08018	3.4
159.11702	2.4
160.05194	1.6
161.05975	15.9
162.06680	2.4
163.03897	7.6
163.07491	4.3
165.05475	2.1
167.05551	3.3
167.06929	2.4
169.12280	2.7
173.05952	3.2
174.06789	3.4
175.04002	1.5
175.07507	8.2
175.11229	2.0
176.04700	1.4
176.08139	1.5
177.05475	14.0
177.09065	6.8
179.06972	1.6
185.06049	2.0
187.07472	7.0
188.08298	3.4
189.05426	5.3
189.09068	7.7
190.06215	3.1
190.09860	4.0
191.07004	10.9
191.10690	1.9
193.04916	2.6
193.08559	2.3
199.07617	2.4
201.05452	3.3
201.09081	2.7
203.07036	11.3
203.10632	6.2
205.04912	6.6
205.08559	41.5
215.06982	4.9
216.04147	5.9
217.05096	2.9
217.08580	14.0
218.09332	12.2
219.06511	2.3
219.10158	12.7
221.08032	6.0
225.09140	1.6
225.11209	2.0
227.07037	2.9
229.08661	1.9
230.05711	3.1
231.06479	34.5
233.08073	24.4
234.08812	2.1
241.08568	1.6
243.06519	6.2
243.09927	1.8
245.04462	1.7
245.07990	2.3
257.08026	4.6
258.05136	2.2
258.08984	2.9
259.06012	20.1
259.09686	3.4
260.06793	5.2
261.07220	1.5
269.08017	1.4
271.05951	2.4
273.07568	17.9
274.08264	2.8
275.08960	9.7
277.07059	25.8
279.08521	4.0
281.07849	1.6
283.03006	2.0
283.05939	1.9
285.07559	4.2
285.10910	2.6
286.08420	2.6
287.09085	4.8
295.05914	3.4
297.07794	3.0
299.05988	5.1
299.09171	8.0
300.09753	2.2
301.07245	2.2
301.10626	24.8
303.04935	2.0
307.09592	2.4
309.07571	1.8
310.08255	2.4
311.09302	2.8
311.12671	2.9
313.07254	2.0
313.10535	6.9
315.05377	1.7
315.08698	8.1
321.11063	1.6
325.10568	2.1
327.08844	1.9
327.12186	7.5
329.13849	13.8
339.12180	18.2
344.97556	1.5
357.13300	100.0
367.11578	2.3
519.14056	2.2
519.20526	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	519.1856
Annotation	Phellodendroside
Peak:m/z	Relative Intensity
53.03931	2.0
55.01861	1.9
55.05505	1.6
57.03413	3.2
61.02918	6.4
67.05480	2.2
68.99781	0.9
69.03419	15.5
69.07064	21.2
70.33970	3.7
73.02898	2.5
75.37637	0.7
79.05466	1.6
81.03415	7.1
81.07025	2.4
82.71631	0.8
83.01314	1.3
83.04952	1.3
83.08605	1.0
85.02895	28.6
85.06535	0.7
87.04452	1.7
91.03967	1.3
91.05424	1.1
93.07018	2.0
95.04955	1.7
95.08590	1.4
95.50858	0.7
97.02877	11.0
97.06503	2.6
99.04460	1.3
105.07015	1.4
107.08576	1.8
109.02857	4.4
117.06999	0.8
119.08509	1.5
121.10123	0.9
123.04404	1.0
125.09665	0.9
127.03908	6.1
133.10112	0.7
137.05846	0.9
139.03896	1.4
143.10587	0.9
145.04912	4.8
153.01814	8.6
161.05981	0.8
163.03925	1.6
175.07487	1.1
177.05455	2.1
185.05930	0.8
189.05460	0.9
197.06023	0.8
203.06865	1.6
205.04951	1.7
213.05458	1.0
217.04976	2.3
219.06569	1.2
225.05554	1.1
229.04996	4.6
230.05780	1.2
231.02898	1.7
231.06485	8.5
233.04401	4.7
233.07986	1.3
235.13179	0.7
241.04999	3.4
243.06508	13.4
245.04462	2.0
247.06023	3.5
253.04898	1.3
255.06467	3.8
257.04477	2.2
259.05984	7.8
261.07529	2.9
266.05762	0.9
267.06415	1.7
269.04395	6.2
269.08087	2.3
271.05984	57.2
272.06281	1.6
273.07477	6.0
277.07104	2.3
279.06448	1.6
280.07086	1.0
281.07962	2.1
283.05951	3.9
283.09598	2.0
285.07562	1.0
287.05429	8.8
289.03690	1.1
289.07016	17.8
293.08047	2.6
295.09705	3.2
297.07410	1.9
297.11145	3.3
299.06055	2.0
301.06967	1.3
309.11160	1.5
311.09061	1.8
311.12665	4.0
313.10574	1.8
315.12329	0.8
321.11133	6.0
323.12680	1.3
327.12296	1.6
329.13757	2.0
339.12216	15.9
341.13812	12.2
357.13272	100.0
358.13632	1.4
393.07257	0.8
519.18634	23.0
519.30078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67840	0.8
53.00513	0.8
53.03934	6.2
55.01862	2.0
55.05496	1.9
57.03442	4.1
59.04988	0.8
60.40862	0.7
61.02911	3.2
67.05494	2.0
69.03052	0.9
69.03421	17.4
69.07063	1.2
70.47479	0.7
71.01340	0.9
71.04981	6.2
71.61127	1.6
73.02901	5.1
79.05479	1.8
81.03407	24.0
81.07042	1.7
83.04954	1.7
85.02892	57.7
85.06516	1.0
87.04462	1.8
89.77322	0.8
91.03912	1.5
91.05801	0.9
93.07030	1.3
94.66367	0.7
95.04941	1.5
95.08569	2.0
97.02878	39.2
97.06481	2.0
99.03783	1.5
99.04442	46.4
103.03928	48.5
105.07005	1.7
107.04945	2.0
109.02864	26.8
109.06525	1.4
109.10136	1.1
113.06004	3.2
115.03934	1.5
119.08606	2.1
121.06473	1.5
123.04402	1.9
125.02340	1.2
127.03896	100.0
128.04225	0.9
131.04938	1.2
131.08537	1.0
135.04387	1.9
137.06004	1.3
139.03899	6.3
141.01823	1.2
143.03389	2.5
143.10635	0.9
145.04939	40.4
147.11691	1.7
149.02322	1.0
149.05965	3.5
149.13223	0.9
153.05440	14.8
159.04408	2.6
163.03882	1.0
163.06009	12.2
167.03401	3.0
167.05670	1.5
167.06981	7.4
169.04945	2.2
177.05449	17.7
179.03325	1.2
185.04439	2.2
187.06001	9.3
187.07533	1.1
191.06978	2.0
193.04982	1.5
195.06506	18.8
197.38042	0.9
199.06050	1.3
201.05435	3.3
205.04930	1.0
205.06970	1.4
209.04443	1.6
213.07552	74.6
214.07761	1.3
219.06458	2.2
219.10106	1.6
229.07077	1.5
231.85452	1.0
233.04393	3.6
237.07596	4.1
251.05470	3.4
253.07031	1.3
255.08592	5.1
271.08142	8.0
279.08627	2.9
289.09122	1.6
299.06128	2.3
303.08487	1.6
321.09659	1.8
339.10825	0.9
357.13507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.2
56.05016	0.5
57.03420	0.1
58.06612	0.4
59.07373	0.1
60.08153	6.6
67.05505	0.6
71.07362	2.7
79.05478	0.4
81.07040	0.4
86.09692	31.2
93.07024	0.2
95.05009	0.1
95.08585	0.3
98.20663	0.2
98.98445	2.6
104.10725	3.3
107.08550	0.1
109.10120	0.2
119.08584	0.1
124.99983	21.2
131.33856	0.1
143.01056	0.3
150.30890	0.1
184.07312	100.0
185.07687	0.4
258.11075	0.2
500.31268	1.3
518.32336	3.2
519.32770	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
53.52577	0.3
54.51771	0.2
55.05498	1.0
56.05020	1.1
57.03415	0.7
58.06562	1.2
60.08155	16.7
67.05501	3.1
69.07053	0.6
70.54386	0.6
71.06990	0.4
71.07366	6.9
79.05482	2.0
79.75108	0.2
81.07031	1.9
83.08607	0.4
86.09695	51.9
91.05460	1.1
93.07046	2.0
95.04932	0.3
95.08575	1.4
98.98457	3.7
104.10728	100.0
105.07027	0.7
105.11058	0.4
107.08584	0.9
109.10137	0.5
119.08614	0.3
121.10148	0.7
124.99986	28.2
133.10132	0.3
135.11711	0.4
143.00951	0.4
163.01547	0.6
184.07320	96.7
185.07759	0.3
258.11084	0.8
335.25809	0.8
441.24167	0.5
500.31250	8.7
518.32361	35.5
519.32770	0.8
542.87805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22303	0.5
54.17062	0.5
55.00704	0.5
55.01866	1.1
57.07079	0.9
65.60595	0.5
67.05489	0.9
69.03430	0.5
70.06579	0.9
71.77472	0.5
71.77827	0.7
79.05477	0.8
81.03393	0.9
81.07043	3.1
84.04475	0.6
85.02878	0.9
91.05451	1.4
92.54197	0.7
95.04962	1.2
95.08592	0.9
97.02877	0.5
98.66172	0.7
98.87552	0.5
102.26317	0.5
105.03352	0.6
109.02869	1.7
109.10145	1.4
109.17207	0.4
109.63975	0.5
119.04929	2.8
120.20219	0.6
121.06454	0.7
123.04420	15.3
123.08056	1.3
124.04740	0.9
125.02318	0.6
127.03874	1.6
135.04411	1.1
137.05972	0.8
139.03859	1.9
145.09955	0.6
147.04395	9.6
147.07600	0.9
148.04773	0.8
149.05917	1.6
149.09576	0.9
151.03885	83.2
152.04208	5.0
158.58696	0.5
161.06010	0.9
163.03943	2.7
165.05452	6.5
166.05791	0.7
177.05455	4.9
177.21931	0.5
181.04939	0.7
183.08055	0.5
195.10130	0.8
201.09004	1.4
207.06398	0.8
219.10139	100.0
220.10472	11.6
231.10062	1.0
231.54636	0.5
249.11169	0.8
303.08563	3.8
304.08682	0.7
346.94855	0.5
353.13770	1.0
371.14832	10.8
372.14990	2.1
386.44266	0.5
507.72372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56928	0.2
56.96558	0.3
65.03933	0.7
69.03413	0.9
71.77033	0.3
83.04928	0.2
85.02899	1.1
89.03889	1.2
89.60587	0.2
90.04228	0.2
91.05457	5.1
93.17062	0.2
97.02850	0.3
106.41891	0.2
107.04916	0.5
109.02860	0.2
117.03354	1.0
118.03681	0.7
119.04926	15.3
120.08041	0.2
127.03887	0.5
135.04398	2.8
136.04730	1.4
145.02832	2.2
146.03151	1.0
147.04388	100.0
148.04733	0.8
163.03885	19.5
164.04219	9.9
167.05553	0.2
176.04326	0.2
193.50180	0.3
237.02885	0.3
278.14331	0.2
283.03009	0.3
291.08649	0.5
299.06192	0.3
309.09491	1.2
336.37247	0.2
339.10760	0.9
369.92453	0.2
375.14035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3521
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
51.04399	1.0
54.64394	0.9
55.01867	2.1
55.05507	1.4
57.03419	2.8
57.07067	11.2
67.05491	2.7
69.07061	13.4
70.09846	6.4
71.53639	0.9
74.09703	2.6
79.05476	3.3
81.07051	8.2
91.05456	2.2
93.07040	5.7
95.08587	4.1
98.21412	1.3
105.07001	1.2
107.08562	4.8
109.02829	1.0
109.10095	5.0
117.06960	1.2
119.08582	2.5
121.06520	1.4
121.10119	5.3
121.10886	0.9
123.11697	34.9
128.06218	1.6
131.08551	1.8
133.10078	2.6
135.04408	5.6
135.08040	4.4
135.11690	14.0
137.02382	1.2
143.08556	2.9
145.06549	1.5
147.04475	1.1
147.08083	2.2
147.11726	1.2
149.09636	5.5
151.03886	10.6
161.05975	2.8
161.09625	4.2
163.03885	30.0
165.05402	1.5
171.08031	3.2
174.06683	1.5
175.03882	4.0
175.07544	11.9
177.05444	5.8
177.09106	1.2
179.03363	1.9
181.04916	18.4
189.05447	3.1
189.09058	12.4
191.06998	3.4
199.07448	5.0
199.45581	1.1
201.09122	2.2
203.07155	1.3
205.08568	6.7
207.10138	4.5
217.08580	100.0
219.10136	96.5
223.09634	6.2
229.08609	2.7
231.10074	1.6
235.09621	58.6
245.11700	3.8
267.13754	5.2
271.13129	3.3
273.14883	6.9
275.16373	29.5
275.19159	2.0
279.15768	1.4
285.14795	21.2
289.14398	4.1
291.15866	57.4
301.17825	4.8
303.15860	6.3
317.17508	3.2
321.18546	1.3
329.21021	3.1
339.19540	4.6
341.21082	73.9
345.20636	1.3
347.22247	1.0
357.20557	83.0
358.21005	1.7
359.22180	27.7
375.21628	14.7
377.23175	3.2
393.22391	1.7
397.27377	6.1
411.25275	3.5
413.26834	19.3
425.26883	16.0
431.27841	2.2
443.27890	2.6
481.32932	3.3
517.34357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3518
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
55.01856	1.6
57.03416	1.8
57.07067	6.6
67.05496	1.7
69.07056	8.8
70.36010	6.3
79.05493	2.9
81.07046	8.1
81.52797	1.3
91.05480	2.2
92.70443	1.2
93.07034	4.6
95.08597	2.2
105.07025	2.5
105.95303	1.5
107.08593	4.2
109.10131	2.7
112.13377	1.3
119.08580	3.1
121.10110	2.4
123.11691	26.7
129.07074	1.3
133.10129	2.7
135.04399	5.5
135.08066	5.1
135.11676	6.9
143.08551	3.1
147.08020	2.3
149.09651	5.2
151.03894	7.4
161.06006	4.2
161.09604	4.5
163.03883	36.1
163.05168	2.4
163.07527	2.0
165.74080	1.2
167.12936	1.1
171.08015	2.6
175.07529	8.0
177.05482	2.7
179.03282	2.4
181.04929	16.0
189.09085	11.8
191.07115	2.0
199.07535	4.4
201.05507	1.6
205.08577	2.8
207.10138	4.5
217.08574	97.5
218.09050	1.5
219.10143	100.0
223.09697	3.9
229.08614	2.0
235.09616	54.8
267.13852	2.8
271.13376	1.9
273.14813	10.8
275.16397	37.3
285.14816	13.2
289.14349	5.4
291.15881	53.4
303.15955	1.9
339.19495	2.1
341.16971	2.4
341.21078	42.0
357.20566	45.7
359.22144	35.2
375.21591	25.3
377.23358	2.4
391.72440	1.3
397.27386	5.8
411.25220	1.9
413.26755	10.6
413.90778	1.4
425.26947	7.3
431.27985	3.6
443.27740	4.2
461.29700	1.4
481.33026	2.5
513.76013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70468	1.2
55.01857	2.2
55.05491	3.1
57.03411	2.9
57.07067	10.6
59.04981	4.8
61.45366	1.1
67.05492	3.3
69.03415	1.4
69.07060	17.0
70.36535	2.3
70.36943	2.4
71.77393	1.1
79.05476	4.0
81.07047	7.1
83.08605	1.5
85.06520	8.0
88.25827	1.2
91.05467	5.9
93.07026	11.4
95.04961	1.8
95.08584	4.0
105.07006	5.3
107.04963	1.5
107.08572	7.5
109.06493	1.3
109.10152	8.6
117.47040	1.2
119.08575	2.9
121.06461	2.7
121.10124	17.4
122.10912	4.5
123.08039	1.6
123.11677	11.5
128.27138	1.1
129.06987	2.5
131.08536	3.2
133.10109	4.2
135.04431	2.7
135.08034	3.6
135.11664	11.0
143.08540	1.7
145.06454	1.3
145.10120	1.8
146.48332	1.2
147.08005	2.7
147.11595	1.4
149.05920	2.1
149.09616	2.7
151.03894	4.1
155.08524	1.5
157.06503	2.8
157.10034	1.8
159.08069	1.3
159.11642	3.0
161.05928	2.0
161.09521	3.6
163.03932	4.0
163.05518	2.0
163.07523	1.4
163.11230	1.5
165.05461	3.3
173.09604	2.9
175.03951	2.3
175.07533	8.3
175.11188	1.6
177.05476	17.1
181.04922	3.0
181.10016	1.3
183.11641	1.9
185.09612	1.4
187.07570	1.3
189.05449	2.4
189.09077	8.5
191.06984	4.2
195.02907	3.3
199.07495	2.1
199.11424	1.2
201.05507	6.1
201.07152	1.7
201.09052	1.8
203.07008	5.1
203.10687	2.3
205.05016	1.3
205.08562	7.8
205.10213	1.4
207.06497	1.7
213.09123	1.5
215.07037	2.8
215.10791	1.8
217.08543	27.0
217.10464	1.9
219.06409	1.8
219.08246	4.9
219.10191	2.7
221.08049	4.7
223.05981	1.8
223.09624	3.9
225.07437	1.8
226.10138	1.6
227.07129	1.6
227.10699	2.1
229.08604	21.8
229.12148	1.9
231.10126	29.6
233.08031	8.9
233.11751	4.6
235.09651	6.9
237.07199	1.7
237.09271	18.1
241.08586	5.4
241.12227	1.7
243.10083	5.9
243.13959	1.2
249.11189	9.7
251.09129	1.8
255.10071	5.8
257.11789	5.6
259.09607	2.0
259.13202	1.7
261.11130	2.6
267.13931	1.9
269.11844	1.3
271.13306	1.8
273.11093	3.0
273.14844	2.8
275.12814	4.7
277.14343	2.7
282.31918	1.2
283.13217	11.4
285.14816	40.6
287.23300	1.3
291.15942	3.4
297.14783	1.5
299.12772	2.0
301.14417	7.9
303.15833	5.2
315.15793	1.7
315.21268	1.9
325.35376	1.2
339.19492	24.3
339.23309	1.9
341.09070	1.2
341.21085	45.8
345.16827	2.6
345.20535	2.0
355.19022	2.9
357.20551	100.0
358.20840	1.3
359.22104	30.4
364.18365	1.2
373.20023	8.9
375.21622	80.1
398.24356	4.9
405.25421	1.1
411.25116	3.7
413.26743	10.6
416.25586	7.3
425.26709	7.3
429.26352	3.1
431.27853	10.7
443.27914	3.3
481.32809	1.4
485.26715	2.3
503.28455	1.3
517.38794	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	517.3517
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
53.03943	0.9
55.01851	1.9
55.05486	1.5
57.07055	2.4
61.20405	0.7
67.01823	0.8
67.05481	1.9
69.07059	11.5
69.73282	0.9
73.06536	2.9
79.05479	3.4
81.07041	8.8
83.04999	0.9
88.34685	1.0
91.05479	3.6
93.07012	4.7
95.04944	1.4
95.08585	3.3
105.07018	2.9
107.01278	1.0
107.04963	1.3
107.08573	6.5
109.02893	0.9
109.10123	2.9
117.06935	1.0
119.08553	3.3
121.06474	5.8
121.10131	2.3
123.11687	32.9
129.07007	0.9
133.06461	2.5
135.04379	4.7
135.08038	11.4
135.11658	8.4
147.07997	6.1
147.51570	0.7
149.05963	2.2
151.03886	8.1
157.06448	3.0
161.05962	14.1
163.03882	21.8
163.07489	1.0
165.37024	0.8
171.11597	0.8
175.07532	17.2
177.05348	4.0
177.85980	0.8
181.04936	18.9
185.05984	2.4
191.05470	1.1
191.06961	4.9
195.06511	1.0
201.08975	1.6
203.06996	100.0
207.10162	4.9
209.08025	7.1
213.09177	1.2
213.12816	1.5
217.08566	2.5
219.10130	83.1
221.08052	76.4
229.08464	1.0
229.94446	1.0
237.09286	1.5
239.09048	1.3
256.99176	1.0
257.11700	2.1
259.13278	8.9
267.13760	2.9
267.39200	0.9
273.14700	2.6
275.12787	6.1
275.16364	23.7
277.14325	66.2
278.14636	0.8
285.14789	10.2
286.96811	0.8
325.17938	2.9
327.19424	0.9
331.18759	1.0
341.16907	1.5
341.21069	38.7
343.18994	70.3
345.20590	15.6
359.22049	8.6
361.20001	8.5
373.23630	7.6
375.21591	10.6
391.25024	2.0
393.22379	1.0
397.23151	1.2
397.27612	1.6
399.25256	17.7
411.25119	10.8
417.26340	2.4
429.26114	2.0
431.27795	1.9
443.27927	1.8
467.31540	2.5
517.38458	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	517.3167
Annotation	Probucol
Peak:m/z	Relative Intensity
55.05500	11.9
60.19338	6.3
67.05486	23.5
69.07047	52.0
70.41254	22.9
70.41676	13.6
75.17459	7.9
79.05460	15.2
81.07024	26.1
85.06521	7.6
91.05461	23.3
93.07026	44.4
95.04950	9.2
95.08582	37.5
104.07583	9.8
105.03353	7.8
105.07001	26.3
105.53521	6.8
107.04916	7.5
107.08570	37.3
108.99332	6.9
109.10120	13.1
119.08554	19.4
121.06475	37.2
121.10120	25.5
123.08068	16.8
123.11672	25.6
131.08582	16.1
133.06482	9.0
133.10136	14.1
135.08141	9.2
135.11682	31.6
145.10080	15.3
147.04381	8.3
149.05922	10.0
149.09659	7.8
159.08089	10.9
159.11652	7.7
161.05945	19.1
163.07596	12.7
175.03889	33.9
175.07570	42.1
177.05498	50.4
177.08989	7.8
179.03374	9.2
183.11848	10.1
187.11002	7.9
189.09077	8.7
191.07027	18.3
193.04965	15.9
195.02878	19.1
201.12663	12.0
203.07031	26.3
205.08539	22.2
206.09116	9.1
207.06453	22.6
215.06987	24.7
215.10603	7.2
217.08591	100.0
219.06448	26.4
219.10182	11.5
221.07974	10.1
225.07555	18.4
229.08627	24.6
229.12178	24.2
231.09995	10.0
233.08066	38.2
233.11772	14.6
235.09601	31.4
237.07542	29.1
245.08058	7.9
251.09102	41.5
253.06999	12.1
255.06482	8.8
257.11777	48.2
263.09085	18.6
273.14737	67.8
275.12753	97.0
283.13168	9.8
285.14725	13.2
297.83252	8.2
301.14270	20.7
303.15829	7.3
309.13168	9.1
319.15311	26.4
339.19461	45.3
341.20981	26.2
343.18857	28.9
357.16599	12.1
357.20483	55.0
369.20343	8.0
373.19711	10.3
375.21588	20.6
377.19287	11.9
395.25626	14.5
397.23904	13.8
431.22116	10.1
500.30539	8.7
517.38196	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05502	4.4
57.03432	1.4
57.07072	2.1
67.05495	13.2
68.56168	1.2
69.07059	10.3
71.04988	4.2
71.81093	1.8
78.59743	1.3
79.05477	7.1
81.03391	3.2
81.07046	13.3
83.04984	3.9
83.08628	2.4
85.06478	2.1
91.05461	7.9
93.07035	8.9
95.04977	1.6
95.08604	6.9
97.06506	1.6
97.10135	2.4
98.65479	1.4
105.06995	6.9
107.08571	5.5
109.10126	4.7
117.07016	3.0
119.08568	6.5
121.10129	4.0
123.08067	2.4
123.11737	1.4
129.07008	3.1
131.08539	4.7
133.06453	1.9
133.10110	3.5
135.08046	2.9
135.11696	3.0
137.09581	1.9
143.08572	2.5
145.06543	1.5
145.10133	2.3
147.07936	2.2
149.09612	1.8
157.10104	2.4
159.08066	1.9
161.05980	2.9
161.09621	2.0
169.10045	1.8
169.13388	1.4
171.08083	2.5
171.11711	3.1
173.09752	2.1
173.13297	2.0
175.11253	1.9
179.10701	2.6
179.14195	1.4
181.10240	2.1
183.11731	2.2
184.07280	1.6
185.09659	1.8
187.07520	2.4
193.10236	1.4
195.08060	2.6
197.09569	2.8
199.07628	2.6
199.14690	1.4
203.07068	3.4
203.10583	1.5
207.11693	1.7
211.11171	3.6
213.09109	5.3
215.10632	2.4
222.10532	1.9
223.11139	2.6
225.09129	2.5
225.12729	2.0
227.10576	3.5
229.12256	5.4
231.10104	3.3
237.09160	2.0
237.12730	2.2
238.09830	2.2
239.10628	3.1
239.14258	3.2
241.08624	3.9
241.12274	6.3
245.11725	7.1
249.12709	1.8
251.10732	2.6
253.12239	8.0
253.15936	1.7
254.12944	1.5
255.13705	3.6
257.11688	1.9
259.13284	8.0
265.12216	4.6
265.15677	3.1
267.13705	11.7
268.14493	1.6
269.11557	2.3
271.13174	2.6
279.17313	1.8
281.15256	2.9
283.13367	3.1
283.16949	7.8
285.14819	3.1
293.15289	3.8
295.13232	5.5
297.15417	1.6
297.18417	8.6
307.16937	5.3
309.18509	2.1
311.16388	18.9
313.14215	6.7
323.16370	4.0
325.17966	23.1
329.17480	3.8
335.19852	2.1
337.17920	6.5
343.19022	30.9
355.18860	3.1
361.20090	2.7
377.20737	3.5
395.22110	14.7
408.90656	1.5
411.25244	1.9
413.23199	100.0
414.23697	3.3
431.24231	55.3
432.24570	1.6
481.29327	4.2
499.13333	2.2
499.20816	46.1
500.21118	5.3
517.21716	32.8
517.28442	3.1
517.35254	2.8
518.22345	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	517.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.05494	7.2
67.05487	14.5
69.07061	33.3
71.04962	6.7
79.05486	7.9
81.07043	27.3
91.05461	12.6
93.07027	24.0
95.04942	14.6
95.08596	20.7
96.70705	5.2
101.48586	5.1
105.03376	100.0
105.04466	6.3
105.07015	20.6
107.08572	12.8
109.06461	5.5
109.10168	7.2
119.08569	11.0
121.04137	5.9
121.10146	14.8
129.03343	14.3
131.08575	10.5
133.10089	20.2
143.08510	6.7
145.10117	13.9
147.07886	6.1
159.11665	10.2
161.09659	6.0
173.09531	12.0
175.07478	4.8
177.01859	7.5
183.11615	12.4
185.09776	5.6
195.02875	32.7
195.06476	6.9
203.07056	46.3
207.11655	7.0
211.11115	20.0
215.06982	5.7
219.09985	9.2
221.08063	27.6
229.04831	6.7
229.08678	8.4
237.05461	24.3
241.08691	6.3
243.09927	5.5
251.10596	10.6
251.14337	10.6
253.15771	7.6
255.06563	42.4
259.13068	5.8
263.10608	13.1
265.10788	6.4
277.14188	46.9
281.11761	5.9
283.13266	7.3
297.11191	29.1
305.15390	19.7
311.12527	25.0
323.16385	28.0
341.17422	29.7
357.14795	50.8
359.18478	9.7
375.15897	31.6
386.67715	5.9
393.17084	7.7
395.19736	7.1
397.23767	58.7
413.20911	11.8
415.24728	43.2
431.01474	5.1
431.22089	36.9
449.23309	17.5
465.30032	13.1
483.30884	17.6
517.30164	9.3
517.37592	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03937	2.3
53.73236	0.9
55.01874	1.3
67.05482	1.2
69.07063	14.7
71.81358	1.6
79.05478	1.2
81.03384	2.1
81.07036	2.6
91.05461	3.3
93.07029	2.7
95.04973	6.1
95.08599	6.4
105.03382	69.9
105.07013	5.3
106.03743	1.1
107.04975	1.0
107.08577	4.0
109.02861	5.5
117.06971	1.3
119.08541	2.7
121.10112	9.2
127.11287	1.0
128.55373	1.0
129.03348	22.5
129.06981	1.1
131.08539	2.6
133.10097	3.0
143.08557	1.2
145.10095	5.8
147.04385	1.5
147.11646	1.8
149.02377	1.0
152.68880	0.9
153.01913	1.1
155.08623	1.4
159.11620	1.1
165.01901	1.4
165.07025	1.3
167.03397	1.1
168.09329	1.1
169.01312	12.3
169.06490	3.4
173.09554	4.5
175.11218	2.0
177.01802	14.4
177.05458	1.0
179.03340	1.1
183.11639	7.7
189.05635	1.6
191.03375	1.9
195.02873	100.0
196.03172	1.8
196.90602	0.9
197.04486	0.9
197.09596	3.1
203.03281	1.4
209.04259	1.5
211.11151	9.9
213.05385	1.3
221.04546	4.9
223.11191	2.1
225.09099	1.4
229.04927	4.2
229.12306	3.2
231.06567	2.6
233.08096	2.9
237.05435	20.3
243.06503	2.2
251.10713	2.7
253.10257	1.0
255.06493	73.3
256.06924	3.0
257.07892	1.0
261.09067	1.3
269.07904	1.2
279.10104	6.4
281.08090	4.1
283.14972	1.4
295.09564	1.5
297.11166	26.7
299.09131	10.2
309.11023	2.6
311.12653	62.0
312.12997	2.2
315.12625	1.7
327.19479	2.2
329.15222	1.9
333.10986	1.6
339.13910	5.8
339.19489	1.0
341.17404	2.4
347.16302	1.1
355.15549	2.5
357.14798	32.1
375.15875	46.0
376.15994	1.5
379.19031	3.2
389.17111	1.5
393.16922	12.6
394.17871	1.2
395.19940	2.0
411.19403	1.6
413.21072	4.9
425.20798	1.5
429.20380	1.4
431.22144	75.4
432.22467	5.2
447.21326	1.6
449.23199	44.3
450.23593	2.5
481.27216	1.3
499.28314	9.2
517.29559	9.2
517.37219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22750	0.4
52.30310	0.4
52.35340	0.4
53.03934	0.5
53.62794	0.4
55.01850	0.5
55.05505	0.5
60.81539	0.5
67.05489	0.7
68.99795	0.5
69.03407	0.9
71.39703	0.4
71.79855	0.7
79.05473	1.2
81.03406	1.1
81.07041	3.0
84.04477	2.4
84.08141	0.5
85.02888	1.2
91.05480	1.2
93.07030	0.7
95.04983	0.8
95.08591	0.7
97.02885	0.5
105.03375	0.5
105.07021	0.6
107.04926	0.5
109.02873	0.9
109.10135	1.4
119.04951	2.4
123.04411	13.7
123.08022	0.7
125.02379	0.9
127.03877	1.2
130.04987	3.6
131.08476	0.5
135.04424	1.2
137.05957	0.5
139.03902	1.7
147.04379	8.4
147.07599	5.2
149.05956	1.4
149.09631	0.9
151.03883	74.6
153.05461	0.5
155.08414	0.5
161.05956	1.0
163.03877	2.3
165.05443	6.1
177.05446	4.8
177.09123	0.7
181.04958	0.7
183.48061	0.5
188.18011	0.5
191.10696	0.6
193.04926	0.4
195.10118	1.1
201.09120	1.2
215.07019	0.6
219.10132	100.0
220.10455	0.7
223.09717	0.5
229.63029	0.5
231.10242	0.6
249.05524	0.4
249.11266	0.6
303.08649	3.5
353.13687	0.7
371.14847	12.3
371.19522	0.9
517.23682	0.5
539.29889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84724	0.3
67.05508	0.6
68.99797	0.9
78.34698	0.3
79.05489	0.8
81.03432	0.4
81.07050	2.9
84.04482	2.3
91.05492	0.8
93.07078	0.6
95.04957	1.0
95.08582	0.7
98.20705	0.7
105.06969	0.5
109.02884	1.2
109.10137	1.6
119.04919	3.0
121.06491	0.8
123.04414	11.4
123.08069	0.6
125.02332	0.9
127.03938	0.8
130.04987	3.0
131.08562	0.6
135.04405	0.8
137.05952	0.5
139.03860	1.1
145.10139	0.4
147.04396	8.3
147.07616	5.1
149.05988	1.3
150.01813	0.4
151.03886	76.0
153.05412	0.5
161.05949	0.6
163.03883	2.0
165.05481	5.4
177.05453	3.6
177.09132	0.8
178.89867	0.4
181.05115	0.4
191.10663	0.5
195.10089	0.5
201.09076	0.7
203.10777	0.6
207.06276	0.6
219.10139	100.0
220.10486	0.5
221.08063	7.9
222.08398	5.4
223.08624	4.6
285.07608	0.5
290.24103	0.4
303.08539	2.9
326.77274	0.4
353.13882	0.8
371.14841	12.6
385.13953	1.4
421.30106	0.5
495.90784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.50011	0.2
55.01859	0.4
57.03405	0.5
57.41367	0.2
61.02903	1.0
63.02380	0.3
69.03429	1.7
71.38007	0.3
71.38356	0.5
79.05457	0.6
79.08215	0.2
79.96011	0.2
81.03402	0.8
83.04977	0.3
85.02895	6.6
88.92020	0.2
89.03905	3.9
91.03947	0.4
94.83400	0.2
95.04967	0.4
97.02871	1.8
99.04446	0.5
107.04965	1.7
109.02861	0.4
111.04405	0.3
117.03367	5.0
127.03905	1.6
131.04832	0.2
135.04396	12.3
145.02834	9.0
145.04836	1.3
147.04379	1.0
155.09793	0.2
163.03883	100.0
164.04146	0.6
181.05006	0.5
202.97459	0.2
297.07523	0.3
323.40411	0.3
325.09229	0.5
499.11804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17469	0.1
53.00266	0.1
63.02364	0.3
65.03938	0.2
67.05486	0.2
69.03424	1.3
70.49210	0.3
70.49620	0.3
71.76744	0.1
79.05474	0.6
83.04962	0.2
85.02876	0.8
89.03901	4.0
91.05460	0.2
93.56159	0.1
95.04935	0.4
97.02859	0.4
99.00782	0.2
107.04935	1.3
111.04430	0.2
117.03358	5.1
123.04357	0.2
127.03885	0.8
135.04391	13.7
145.02821	9.8
147.04361	0.3
163.03874	100.0
164.04216	0.6
181.04939	0.6
237.00706	0.2
273.06223	0.2
297.07599	0.2
297.59406	0.1
307.08136	0.8
307.47253	0.2
325.09250	1.0
337.09122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43478	0.6
53.03933	3.1
55.01854	1.9
55.05505	12.4
55.34714	0.7
57.03430	4.1
57.07061	2.3
61.73464	0.6
65.03928	1.9
67.05495	36.1
69.03421	0.9
69.07060	12.5
71.01350	1.4
71.04980	2.3
71.81966	1.3
77.03869	0.7
79.05482	31.7
81.03403	2.0
81.07047	26.5
81.07542	1.0
83.04974	4.5
83.08604	4.6
85.06525	2.0
91.05469	21.0
93.07034	40.0
95.04962	4.5
95.08588	18.2
97.06532	6.4
97.10149	4.5
99.08080	1.3
103.05354	0.8
105.03406	1.1
105.04479	0.8
105.07014	14.5
107.04990	1.3
107.07995	0.8
107.08582	21.9
108.59124	0.8
109.02855	0.8
109.06500	1.5
109.10148	9.3
111.08077	1.2
115.05466	0.9
115.35561	0.6
117.07016	7.3
119.08552	11.8
121.06483	1.5
121.10137	12.5
123.08013	0.9
123.11680	2.9
124.60881	0.8
125.09650	1.4
128.06268	0.6
129.06963	3.9
131.08562	11.6
133.10112	9.4
135.08046	1.0
135.11679	25.6
141.06947	1.4
142.63867	0.7
143.08534	4.7
145.10109	13.7
147.11671	5.1
149.09634	0.9
149.13263	2.3
151.03867	0.8
153.05405	0.7
153.12730	1.5
155.08521	1.9
155.63660	0.6
157.10097	4.9
159.11691	7.7
161.13286	3.4
163.03912	1.2
163.11194	2.6
167.06935	0.8
169.10117	3.2
171.11658	3.8
173.13249	5.1
175.07584	1.2
175.14845	1.1
177.01773	0.8
177.05446	1.1
177.09106	1.1
181.10129	1.3
181.12263	2.9
183.11685	2.2
185.13326	3.5
187.14821	2.9
195.02937	4.0
195.11725	1.6
197.13168	1.0
199.13255	0.8
199.14888	1.0
201.16382	1.3
205.08594	8.1
209.13319	1.1
211.14793	1.0
213.16376	1.1
215.17972	0.8
217.08582	2.5
219.10124	6.1
223.09590	2.1
223.14896	1.1
225.16312	1.2
233.08051	7.1
235.09712	1.0
244.31892	0.7
247.14214	0.6
251.09062	0.7
251.17809	1.0
261.22186	3.1
271.13321	0.9
273.14902	3.6
275.16446	3.0
285.14832	1.4
289.14218	1.8
291.16006	1.2
299.23312	1.0
307.15485	3.7
317.24814	1.8
327.19568	2.3
339.19464	1.7
341.21146	3.4
343.22858	1.0
345.20706	1.7
355.19022	2.1
357.20331	1.4
389.26758	0.9
397.27942	0.9
405.31570	2.0
411.25327	1.1
423.32605	5.2
429.26135	0.9
441.33627	2.4
459.34772	1.0
497.36349	3.1
515.37280	100.0
516.37671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.1
57.03446	4.0
57.07062	14.4
59.91588	3.6
61.38483	3.9
67.05505	16.3
69.07050	19.9
70.39172	17.1
74.09706	16.3
79.05486	12.3
81.07053	12.9
91.05466	8.7
93.07047	16.9
95.08595	8.2
95.83714	3.5
97.10152	4.7
98.21333	4.4
104.82059	3.5
105.07027	13.5
105.27823	3.4
107.04952	4.9
107.08608	9.3
109.10180	5.6
119.08612	9.6
121.10120	44.4
131.08571	7.8
133.10120	26.4
135.04408	5.4
135.08099	5.2
135.11676	8.2
140.66461	3.5
143.08611	5.0
145.10123	10.1
149.05984	4.9
151.03915	9.5
157.32616	3.9
163.03867	20.9
175.07541	11.0
177.05458	4.8
181.04973	19.5
189.09189	6.5
205.08583	5.2
207.10130	4.3
217.08566	90.6
217.10580	6.5
219.10127	100.0
219.12186	7.7
223.09697	10.8
231.10146	5.1
235.09625	38.8
240.19695	5.2
243.10217	5.9
273.14880	7.1
275.16330	46.9
283.13208	10.0
289.14273	9.8
291.15814	63.6
301.14224	5.5
339.19534	41.7
355.19052	30.7
357.20462	23.4
359.22144	18.2
373.20032	17.4
375.21851	6.0
411.25171	7.3
423.25177	12.8
477.37247	6.5
515.37494	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.2
56.71428	1.5
57.03410	1.8
57.07056	5.8
57.31797	1.5
67.05483	6.6
69.07063	12.3
69.96552	10.4
79.05467	7.1
81.03397	2.5
81.07045	7.7
91.05452	6.0
93.07027	11.4
95.04958	2.4
95.08585	5.2
97.10122	2.5
105.07013	7.3
107.04978	1.8
107.08556	7.4
109.02846	4.6
109.10107	4.6
117.06969	2.4
119.08558	2.3
121.06516	2.3
121.10118	5.8
123.11697	13.3
129.06998	3.3
131.08569	2.4
133.10115	4.5
135.04408	4.5
135.11652	7.4
143.08546	2.7
145.10095	3.9
151.03870	18.4
158.31602	1.6
159.11633	1.9
159.84006	1.7
163.03876	22.4
165.01799	1.9
165.05434	2.5
175.07474	2.4
177.01820	5.8
177.05469	2.6
181.04938	22.1
183.02779	2.2
184.13992	1.7
189.09161	1.6
191.07056	3.6
195.02859	58.4
201.08940	2.0
203.07069	2.4
205.08572	6.7
207.10136	9.6
211.11188	1.6
215.07019	3.3
217.08543	12.3
219.10144	76.9
221.08095	4.1
223.09586	6.2
233.08063	100.0
235.09602	5.7
251.09166	7.2
271.13226	2.9
273.14847	8.0
275.16357	28.4
285.14780	9.1
287.12857	2.4
289.14337	12.0
291.15897	3.4
307.15369	34.6
329.21255	2.7
339.19504	3.7
341.21069	39.8
355.18945	7.1
357.20453	4.2
359.22144	5.4
373.20053	32.1
375.21527	5.9
391.21274	3.2
397.27191	2.9
411.25458	2.0
423.31848	2.2
429.26407	5.1
441.26187	4.6
447.27112	2.0
483.26282	2.1
497.27167	3.7
515.23907	7.0
515.38135	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	515.3368
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
52.43900	5.3
52.81457	5.8
53.87621	5.6
55.05491	16.9
57.07063	28.7
63.51223	5.5
66.92188	5.3
67.05500	35.3
68.78090	5.8
69.07056	61.3
71.81930	11.4
79.05489	33.0
81.07027	40.6
85.06528	7.1
91.05445	22.3
93.07038	42.2
94.72836	6.0
95.04961	8.3
95.08601	32.2
105.03386	11.1
105.07011	24.8
107.08577	44.8
109.06509	13.3
109.10153	21.3
112.67965	6.4
117.07032	12.1
119.08558	19.2
121.10136	24.3
123.11723	9.0
131.08565	19.2
133.10124	24.5
135.11690	27.9
143.08478	7.3
143.58595	7.0
145.10123	19.6
147.11578	8.4
149.09633	6.4
149.13252	5.8
151.03954	10.7
157.10126	9.4
159.11661	11.9
163.07518	10.4
163.11151	9.6
165.05495	10.6
171.11644	6.9
173.09616	11.1
175.03914	6.7
175.07559	10.2
175.11107	8.9
177.05464	10.8
177.09015	7.8
181.04936	9.3
189.09195	7.9
205.08582	33.7
217.08549	49.1
219.10103	45.6
223.09631	18.5
229.08531	10.8
231.10213	11.0
235.09688	14.6
241.08636	28.7
243.10135	7.9
259.13477	7.8
271.13321	20.2
283.13351	24.6
289.14325	22.4
295.13245	9.7
307.15381	61.5
319.16223	7.0
327.19543	8.0
337.17944	23.9
339.19550	59.7
341.21048	9.9
355.18954	87.9
357.20569	46.4
373.20016	26.4
375.21765	12.0
391.20975	15.8
411.25522	16.7
413.26736	17.5
429.26471	35.1
447.27222	10.0
479.31342	9.1
515.37720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3362
Annotation	(+)-Methyl ganolucidate A
Peak:m/z	Relative Intensity
53.90490	1.2
55.01864	2.8
55.05507	3.1
57.03421	2.4
57.07075	12.4
59.06117	1.2
67.05486	4.8
69.07059	21.9
71.04985	1.7
73.06564	1.6
74.09710	1.9
79.05470	4.3
81.07040	9.5
85.06535	4.1
89.05997	1.3
91.05462	5.3
93.07031	11.4
95.04971	2.2
95.08591	4.9
98.21481	3.7
102.09168	5.3
102.12823	3.2
105.06997	6.1
107.08569	11.9
109.06526	1.5
109.10142	9.1
117.07047	2.4
119.04838	1.4
119.08566	3.3
121.10130	5.3
123.08038	1.3
123.11664	4.7
125.09623	4.2
127.11242	1.6
131.08557	2.9
133.06485	2.0
133.10124	5.4
135.04453	1.9
135.08064	6.4
135.11688	8.8
137.02296	1.6
143.08536	2.9
145.06541	1.6
145.10086	3.6
147.04420	1.8
149.09586	4.5
151.03864	9.2
151.11122	1.5
153.05345	1.5
155.08490	1.5
159.11674	1.7
161.05939	2.6
161.09590	4.6
163.03879	9.4
163.07513	2.3
165.05482	1.5
171.07903	1.5
171.11664	2.5
173.09581	2.7
175.03928	9.4
175.07524	12.8
177.05449	2.4
177.08998	1.8
181.04889	4.3
187.07556	2.6
189.09070	10.8
191.07021	3.8
199.07507	4.7
201.05415	1.7
201.09163	1.6
203.06938	2.4
205.08629	14.0
213.09026	1.6
217.08571	100.0
218.09003	1.4
219.10065	11.1
223.09541	6.8
229.08548	9.2
229.12202	2.8
231.10144	3.7
235.09604	56.9
237.11214	1.6
238.18040	1.4
241.08517	2.3
243.10216	1.7
243.13823	2.6
247.09630	5.8
265.12030	1.5
271.13257	19.4
273.12039	1.9
273.14856	12.4
275.16397	1.4
283.13254	3.7
285.14865	2.6
289.14304	40.5
291.15848	31.1
301.14236	7.1
303.15732	1.5
307.15353	87.9
308.15686	2.1
319.15518	1.8
327.19449	2.1
337.17978	2.2
339.19522	9.4
355.18951	2.8
357.20517	31.6
369.20599	1.6
373.20062	19.7
375.21588	26.4
391.21115	13.8
395.25772	12.8
411.25128	6.9
413.26743	3.0
422.37439	1.2
427.24744	3.1
429.26294	40.9
441.26376	11.6
477.37418	2.7
497.32361	1.5
515.23932	1.4
515.37964	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	515.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01989	1.1
51.02328	1.2
53.03946	1.6
55.01855	2.4
55.05500	11.5
57.03421	4.0
57.07068	7.8
59.05004	1.5
61.80165	1.1
62.01588	1.0
65.03926	1.5
66.94691	1.1
67.05492	31.4
69.03391	1.6
69.07055	21.0
70.96846	3.6
71.04981	2.4
71.77903	1.1
71.82191	1.1
72.17479	1.3
79.05479	28.7
81.07049	24.3
83.04969	4.6
83.08602	4.0
85.06527	4.4
91.05463	18.2
93.07029	38.1
95.04950	4.8
95.08592	14.3
97.06517	4.1
97.10152	5.1
105.07012	9.8
107.08579	21.4
109.06523	2.0
109.10127	9.0
117.06989	4.4
119.08553	8.3
121.10104	10.3
123.08074	1.7
123.11688	5.3
129.06973	1.9
131.08546	7.3
133.10107	7.8
135.08044	4.0
135.11673	24.8
142.07814	1.1
143.08546	3.7
145.10098	9.9
147.08078	2.3
147.11694	2.1
149.09628	2.9
149.13266	2.9
151.03854	5.9
151.11180	1.8
153.12692	1.5
159.11665	4.8
161.09647	2.4
161.13211	2.3
163.03891	5.3
163.07526	2.5
163.11192	2.3
171.08084	1.9
171.11682	2.8
173.09592	1.5
173.13252	2.8
175.03922	9.2
175.07527	6.6
177.05478	1.2
181.04959	1.6
181.12236	3.2
185.13144	1.2
187.07495	1.5
187.14862	1.5
189.09111	6.7
191.07030	1.4
199.07603	2.4
201.09010	1.5
205.08614	10.0
215.14307	2.1
217.08566	71.0
219.10201	3.3
223.09621	10.0
229.08609	6.4
229.12189	2.6
231.10091	2.5
235.09624	45.5
243.13885	3.7
247.09766	2.7
253.12218	1.7
261.22119	1.9
271.13248	15.4
273.11868	2.0
273.14780	11.1
285.14771	2.0
289.14276	24.3
291.15854	24.4
295.15460	1.9
307.15350	100.0
308.15768	1.7
311.23627	1.5
319.15442	1.5
327.19583	1.4
339.19672	3.4
357.20554	17.6
375.21582	32.3
395.25778	10.2
405.31564	1.4
411.25546	3.8
413.27017	3.0
423.32562	3.3
427.24637	2.8
429.26285	37.1
430.26901	1.7
441.26450	7.7
441.33319	1.3
445.25974	2.0
515.37323	66.5
516.37585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47818	0.7
55.01862	0.9
55.05503	2.0
55.89558	0.8
57.03425	1.3
57.06840	0.7
57.07069	9.4
62.80553	0.7
67.05495	9.7
68.46171	0.6
69.03412	1.8
69.07056	18.9
69.57614	7.3
71.04977	5.2
79.05476	2.2
81.07041	5.4
82.20378	0.6
83.04929	1.0
85.06517	2.3
86.67959	0.7
91.05438	1.4
93.07025	3.2
95.08588	2.6
105.05436	0.8
105.07010	2.1
107.08571	8.8
109.06508	1.5
109.10141	100.0
110.10478	0.9
113.41475	0.7
117.07021	1.0
119.04980	0.7
121.06478	1.4
121.10100	3.3
123.08018	0.8
123.11718	1.5
125.09615	16.4
127.11180	46.2
131.08586	1.3
133.06453	0.9
133.10124	2.1
135.04408	1.0
135.08031	2.5
137.09587	1.3
139.11253	0.8
143.08505	1.5
143.10649	2.8
145.06430	0.8
145.10101	1.3
147.11716	0.8
149.09563	2.1
151.03888	3.8
151.11142	2.4
153.05467	2.3
159.11710	0.8
161.05945	1.7
161.09662	1.3
163.03897	3.2
163.07498	1.3
165.05421	2.1
169.12209	2.2
173.09691	1.6
175.03893	1.3
175.07503	2.9
177.05420	1.5
177.09109	1.0
181.04932	2.4
183.59251	0.8
185.09618	0.8
187.07530	1.2
189.09097	3.1
191.07018	2.5
199.07483	1.7
201.08987	0.8
203.07021	2.3
205.08537	5.0
207.10162	2.0
215.07039	3.2
215.10675	0.8
217.08572	19.1
219.10132	8.6
223.09601	4.9
227.06982	0.8
229.08586	2.5
231.10199	3.1
235.09564	6.3
241.08528	1.4
241.12170	1.3
243.10234	1.0
243.13879	1.1
251.10629	0.8
269.11584	3.3
271.13293	3.0
273.14780	1.1
275.16348	1.4
283.13248	1.4
285.14795	2.0
287.12744	0.9
289.14410	5.6
291.15820	5.9
301.14346	4.5
303.15936	1.2
307.15439	1.8
319.15485	0.9
327.19681	1.5
337.17941	1.8
339.19485	1.4
343.19272	0.8
345.20615	2.3
355.19000	7.4
357.20523	9.3
373.20035	19.6
375.21680	11.4
391.21054	21.4
391.25958	1.3
392.20850	0.8
411.25226	2.0
423.32690	0.9
429.26169	4.3
447.27328	1.6
459.27203	1.4
515.24603	1.1
515.33191	1.4
515.39355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.4
57.07074	14.2
67.05502	19.4
68.46137	2.8
69.07056	81.2
71.04970	8.7
71.81987	4.2
79.05492	13.1
81.07046	44.0
83.01331	8.2
83.08617	2.9
91.05451	10.1
93.07021	19.6
95.04947	3.8
95.08593	30.3
100.29245	2.7
105.07021	19.0
107.08582	18.4
109.06533	3.2
109.10140	100.0
117.06976	4.3
119.08562	9.4
121.06524	4.6
121.10158	17.0
123.11676	4.6
127.11182	57.1
128.06154	2.7
131.08556	10.7
133.10109	11.0
135.08017	8.7
135.11665	11.6
137.05891	4.1
137.13243	3.0
142.07750	3.0
142.89400	2.6
143.08527	4.5
145.10086	12.9
147.11658	8.1
149.05962	3.9
149.09598	10.8
153.05457	43.6
157.10110	4.4
159.08032	8.8
159.11652	5.8
161.05959	4.8
161.09644	4.2
162.06763	5.5
163.07526	11.9
165.05434	29.0
167.07076	20.1
171.08066	3.1
173.09653	5.4
175.07538	6.8
175.14818	5.0
177.05441	24.1
177.09113	13.9
179.06961	4.0
183.11644	5.6
187.07558	7.5
189.05469	20.0
189.09135	6.3
191.06978	19.1
201.09137	4.9
201.16414	6.5
203.06938	8.1
203.17776	4.4
205.08586	79.2
207.10123	3.1
209.11626	3.3
211.11188	4.9
215.07013	3.2
217.08603	45.5
219.10149	5.9
219.17398	3.3
221.08113	3.7
221.11591	23.6
223.09598	82.8
229.08582	18.9
231.10159	20.9
233.11742	3.4
235.09526	15.8
237.11206	3.7
241.12239	3.7
243.10127	22.3
245.11714	12.1
247.09625	12.9
257.11694	3.7
259.13290	5.0
261.11276	5.2
269.11642	3.1
271.13290	9.5
273.14655	5.5
277.12131	3.8
283.13220	4.8
285.14755	6.6
287.12692	4.6
289.14404	5.4
291.15820	38.8
295.13486	4.0
299.16266	17.8
301.14389	3.8
315.19565	11.4
319.16968	13.8
327.19550	22.2
337.18118	13.7
339.19418	4.4
341.21106	4.9
345.20657	13.8
353.21188	5.7
355.18887	24.6
357.20438	7.1
359.22018	10.3
371.22043	12.0
373.20129	19.3
376.07913	2.8
383.25769	18.8
391.21088	5.6
393.24078	3.8
409.27325	8.7
411.25238	46.1
427.28342	11.3
429.26337	53.0
447.27390	14.6
479.31281	8.0
497.32639	10.0
515.24353	2.8
515.33289	11.0
515.38293	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
57.03428	4.0
57.07065	8.3
58.35659	2.0
67.05509	12.5
69.07066	21.4
70.14264	11.7
74.09689	3.5
79.05498	7.4
81.07053	10.7
91.05470	5.7
93.07040	20.0
95.08601	9.8
105.03434	2.6
105.07024	9.7
107.08592	15.1
109.06516	3.0
109.10146	38.1
110.90469	2.2
114.39611	2.2
117.07016	5.2
119.08562	5.8
121.06486	2.9
121.10098	4.7
123.08025	4.0
123.11687	7.7
125.09532	2.6
127.11152	13.5
130.33170	2.5
131.08557	6.6
133.10114	4.4
135.08020	6.3
135.11662	15.1
145.06480	3.2
145.10085	6.1
147.08078	3.7
149.09601	4.4
157.10165	3.4
159.08023	5.7
161.06035	2.4
161.09674	2.9
163.03880	4.5
163.07536	5.7
165.05475	7.2
167.03116	2.1
173.13182	2.3
175.03911	8.4
175.07491	20.7
177.05449	15.3
177.09052	4.7
189.09161	7.8
191.07088	5.1
197.13148	2.2
199.07579	5.2
199.11226	2.4
201.09164	3.0
203.47708	2.1
205.08595	27.6
206.87448	2.3
215.07085	2.6
215.10728	4.6
215.14272	4.7
217.08589	100.0
219.10130	7.8
223.09590	29.8
225.12741	2.7
229.08600	3.0
229.12267	7.8
231.10107	15.1
233.11725	6.6
235.09605	16.0
236.09807	2.7
241.12184	3.2
243.10150	7.1
243.13817	6.1
249.11209	11.5
253.12509	2.6
261.11142	3.6
271.13272	40.9
273.14853	40.3
289.14304	62.8
291.15887	4.1
299.16422	10.3
307.15594	4.3
317.17426	57.5
339.19507	26.7
345.20438	6.9
357.20566	12.9
371.22208	4.2
373.20123	6.3
375.21912	7.5
383.22189	3.3
391.21091	12.5
395.25717	8.6
411.25217	21.3
421.27362	3.0
429.26254	5.1
439.28531	8.0
515.29712	4.7
515.37195	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
55.05495	1.9
57.03420	1.0
57.07069	6.9
62.78201	0.9
67.05500	9.0
69.03411	1.3
69.07056	17.0
69.61005	1.6
69.61424	6.5
71.04991	6.0
79.05471	1.6
81.07056	3.8
83.08614	0.8
85.06520	1.5
91.05461	1.0
93.07037	1.8
95.08585	1.5
96.59507	0.8
97.06529	1.2
97.07462	0.8
97.10120	0.7
98.20592	0.9
107.08575	6.2
109.06503	1.0
109.10142	100.0
110.10438	1.2
117.06988	1.2
119.08578	0.7
121.10155	1.9
123.11726	1.1
125.09610	15.9
127.11177	43.0
133.06419	0.8
133.10066	1.9
135.04446	0.9
135.08046	2.1
137.09581	1.0
139.11177	1.1
143.10670	2.4
145.06491	0.9
145.10121	1.2
149.09641	1.1
151.03920	2.9
151.11191	2.2
153.05438	0.9
157.09990	0.7
161.05975	1.3
163.03934	2.8
163.07549	1.1
165.05513	1.9
169.12297	1.6
175.04005	1.1
175.07570	3.1
177.05472	1.5
179.03488	0.7
181.04967	1.8
181.53972	0.8
189.09088	1.9
191.07063	1.2
199.07518	1.2
203.06982	0.9
205.08594	2.9
207.09978	1.1
215.07007	3.4
217.08577	14.9
219.10114	8.1
223.09644	1.9
227.10654	1.0
229.08557	2.6
231.10194	2.7
233.11484	0.9
235.09589	6.1
241.12140	1.0
243.10304	1.1
253.12202	0.9
257.26602	1.2
269.11765	1.7
271.13324	2.2
273.14868	1.7
275.12836	0.8
275.16119	1.3
283.13254	2.1
284.26505	0.9
285.14905	2.0
285.27008	0.8
289.14230	5.0
291.15839	4.4
301.14337	5.1
303.15958	1.2
307.15509	1.8
337.17981	2.1
345.20645	1.8
355.18845	4.6
357.20612	6.0
373.20081	14.7
375.21597	8.5
391.21136	16.7
429.26291	2.4
447.27536	2.6
459.27258	0.8
514.50861	3.5
515.33563	1.8
515.51184	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.05502	22.8
57.03421	10.7
57.07076	4.1
61.02930	4.1
65.03922	6.0
65.31879	3.5
65.58868	3.5
66.03547	3.8
67.05150	4.9
67.05500	91.9
69.03410	12.6
69.07055	22.3
71.04973	11.4
71.60674	6.5
73.02900	5.0
79.05487	63.4
79.15755	3.0
81.03400	12.9
81.07047	100.0
83.04977	7.5
83.08603	11.8
85.02876	13.6
85.06557	3.5
91.05474	40.8
93.07040	72.5
95.04964	16.0
95.08592	94.1
97.02879	7.0
97.06519	9.3
97.10152	6.2
99.08092	5.4
105.07020	30.6
107.08582	46.7
109.06493	7.4
109.10156	39.3
111.08040	5.0
116.08064	3.6
117.06998	13.4
119.08575	35.1
121.10139	39.7
123.08050	5.9
123.11686	22.4
125.09571	4.0
129.07013	4.9
131.08543	26.6
133.10117	22.9
135.08101	4.1
135.11688	30.5
137.09593	5.4
137.13216	6.3
143.08521	5.8
145.10104	24.1
145.58949	3.0
147.11739	21.3
149.09619	5.2
149.13254	25.5
151.11130	5.1
155.08588	3.8
157.10197	3.9
159.11636	20.9
161.13275	15.9
163.14816	11.2
165.12718	5.9
171.11716	7.6
173.13245	20.8
175.11157	4.2
175.14694	3.9
185.13309	4.1
187.14838	9.7
209.55249	3.1
211.13219	5.1
212.13670	4.6
215.18068	3.6
243.21065	27.6
261.22110	78.0
269.17450	10.4
270.17798	5.0
279.23251	5.5
285.16910	6.2
286.17194	7.9
303.23166	8.1
335.25671	25.5
345.24112	8.7
353.26843	24.8
369.24445	4.2
387.25430	4.3
408.91025	3.8
419.27783	8.7
461.29114	5.2
479.29962	5.9
480.30365	17.6
497.31097	18.8
515.24780	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
54.09850	1.6
55.01858	2.2
55.05500	18.1
57.03436	8.8
57.07066	5.4
61.02912	5.1
65.03915	2.9
67.05493	88.3
69.03409	6.6
69.07056	20.7
71.04968	4.8
71.80575	3.4
73.47527	1.6
74.09702	4.8
79.05478	48.4
81.03395	3.7
81.07043	100.0
83.04971	2.5
83.08612	12.0
83.90115	1.8
85.02878	6.7
85.06509	4.6
91.05466	29.8
93.07030	66.6
95.04956	5.9
95.08595	75.0
97.02851	3.2
97.06532	4.9
97.10145	4.4
99.08075	3.6
103.03928	2.0
105.07020	29.6
107.08580	43.7
109.06501	6.9
109.10136	41.5
111.08074	5.3
117.07011	12.6
119.08550	20.9
121.06460	2.8
121.10119	38.1
123.08041	4.4
123.11688	21.2
125.09599	2.1
129.06973	5.2
131.08537	28.2
133.10109	19.1
135.08011	3.3
135.11671	29.8
135.81810	2.1
137.13258	8.2
139.11194	3.0
143.08537	3.5
145.10095	19.3
147.08118	2.2
147.11673	13.2
149.09625	2.4
149.13231	19.2
151.11134	2.9
151.14778	2.6
153.12721	2.4
157.10133	3.3
159.11674	19.0
161.09590	2.7
161.13277	13.1
163.11125	4.5
163.14780	16.0
169.10072	3.4
171.11757	3.4
173.13211	14.6
175.14851	4.5
177.12706	5.7
177.16302	4.4
183.11745	1.8
185.13339	2.5
187.14757	9.7
197.13139	1.9
201.16359	3.8
205.15846	2.2
229.16042	2.3
233.22707	3.4
243.21001	25.0
250.12025	1.8
261.22116	74.8
279.23367	4.5
301.21518	2.0
303.23236	2.6
335.25772	21.1
345.24332	2.6
353.22754	2.8
353.26724	17.1
357.20572	2.2
369.24277	4.3
405.25998	2.2
419.27667	4.3
453.25900	6.6
461.29086	3.0
479.29889	2.5
497.24887	33.6
497.31357	6.1
498.25452	4.3
515.25427	19.0
515.37115	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.8
53.08230	3.9
53.57298	3.6
55.01865	4.1
55.05515	21.1
55.05729	3.8
57.07066	8.4
59.04962	3.4
65.03935	5.1
67.05503	36.6
68.99760	4.1
69.03396	7.0
69.07059	96.4
71.04979	17.1
71.80807	3.8
71.81205	5.4
79.05502	21.0
81.07050	45.0
83.04969	64.4
83.08612	8.2
85.02228	3.2
85.06541	25.9
90.58859	3.8
91.05472	37.0
93.07037	73.6
95.04958	23.1
95.08595	55.3
97.06519	4.4
99.04446	9.4
99.08064	14.2
105.07021	51.3
107.04963	5.3
107.08577	29.2
109.06524	16.4
109.10139	16.1
111.08075	11.2
113.05998	6.2
117.07008	14.3
117.71783	4.7
117.86273	3.7
119.04943	5.9
119.08578	32.7
119.11422	4.3
121.02814	3.9
121.06474	22.2
121.10147	25.4
123.04433	9.3
123.08036	18.0
123.11677	4.8
125.09620	6.4
128.06200	8.6
129.06992	11.6
131.08553	35.0
133.06487	13.6
133.10115	54.8
135.04395	6.4
135.08032	13.4
135.11652	8.8
137.05992	5.2
137.09555	8.5
139.03911	4.5
142.07718	6.2
143.08556	19.9
145.06499	9.4
145.10126	31.3
147.08034	16.8
147.11690	11.3
149.05919	7.6
149.09599	14.5
151.03897	8.1
153.05426	7.5
153.06834	3.8
155.08527	14.7
156.09338	4.7
157.06458	8.3
157.10132	21.1
158.07272	4.8
159.08060	28.6
159.11694	16.0
161.05949	12.4
161.09579	14.7
162.06767	3.9
163.03912	7.3
163.07521	11.3
163.11198	6.6
165.05499	6.1
165.06851	4.6
165.09100	8.5
166.07767	6.4
167.03374	5.0
167.08585	9.3
168.09312	4.4
169.06564	4.0
169.10097	14.0
171.07994	8.1
171.11655	12.2
173.09619	20.0
173.13258	9.8
175.07541	20.1
175.11188	8.7
177.05446	40.5
177.09113	15.9
179.03322	7.8
179.08553	4.4
181.10156	11.5
183.08046	5.6
183.11688	17.5
185.09587	15.1
185.13203	7.5
187.07527	17.8
187.11160	10.0
189.05438	38.0
189.09067	14.8
191.07013	13.4
191.10689	5.8
193.08580	7.9
193.10194	7.2
195.06566	30.6
195.10107	5.4
195.11673	8.1
197.09515	4.9
197.13289	6.8
199.07484	4.8
199.11151	12.3
201.09042	25.2
201.12732	10.1
203.06993	24.5
203.10634	9.2
205.08571	42.5
207.06480	38.3
207.10043	8.4
207.11798	8.8
209.07941	4.9
209.09679	8.1
209.13251	6.0
211.07582	7.7
211.11182	13.9
211.14842	6.4
213.09186	6.6
213.12706	12.7
215.06944	6.1
215.10661	11.6
216.26851	4.0
217.08472	20.0
217.12202	11.4
217.15799	3.9
219.06500	7.6
219.10109	10.0
219.13647	4.6
221.08076	12.9
223.11299	7.7
225.09030	7.3
225.12729	8.8
227.07030	4.6
227.10606	17.5
227.14326	8.5
229.08563	43.6
229.12238	8.7
231.10094	8.7
233.08006	4.2
233.11665	6.5
235.09476	19.3
237.07596	11.1
237.12701	6.3
239.10649	11.1
239.14169	5.3
241.08543	6.2
241.12277	9.3
243.10167	7.9
243.13760	6.3
245.07935	10.0
245.11749	27.7
247.09615	100.0
251.10663	8.0
251.14273	6.8
253.12248	11.0
253.16025	4.9
255.10159	11.1
255.13741	6.7
257.11682	21.5
257.15176	3.8
259.09589	7.7
259.13300	12.1
263.10709	7.5
265.10641	55.8
265.15686	6.0
267.13867	9.9
269.11752	33.2
269.14438	6.1
271.13364	19.3
273.11313	3.8
273.14960	7.1
275.12814	17.3
277.14377	14.1
279.13934	5.2
279.17105	4.6
281.11853	8.1
281.15393	8.3
283.09711	4.5
283.13208	10.2
283.16840	5.4
285.11432	4.4
285.14719	4.2
287.12762	52.6
289.14545	4.9
293.15100	6.0
295.13376	8.7
295.16895	7.0
297.14700	8.8
299.12772	14.6
299.16263	5.9
301.14459	8.6
303.12482	7.1
303.19507	5.2
305.15259	7.3
306.15671	4.6
309.14722	8.1
311.16422	13.3
313.14386	11.3
315.15948	6.6
317.13733	9.8
321.14999	24.8
323.16403	27.8
325.18015	6.5
327.15854	40.0
327.19357	6.3
329.17456	10.5
335.16351	4.7
337.17902	6.3
339.15909	38.5
341.17429	34.2
345.16953	60.4
347.14722	4.8
353.17303	6.9
355.19122	8.2
357.16916	32.2
359.18335	6.8
377.20993	9.7
379.22736	8.8
389.20639	4.2
393.20410	6.9
395.21936	11.0
397.23669	11.2
407.21802	4.2
411.21591	21.8
425.23572	4.8
427.24814	6.3
429.22656	38.8
445.27582	4.7
479.28018	8.5
480.29916	6.8
497.29074	25.7
515.23578	5.1
515.30206	90.8
515.37170	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	1.1
55.05499	6.0
57.03423	2.9
57.07052	1.2
59.65408	1.0
65.70926	0.8
67.05144	1.8
67.05493	22.8
69.03425	1.5
69.07066	6.6
71.05015	1.0
71.69707	1.5
71.70061	1.5
79.05484	15.4
81.03407	1.9
81.07050	25.8
83.04958	2.0
83.08617	3.4
85.02912	1.2
91.05466	8.3
93.07034	20.2
94.24255	1.0
95.04965	3.2
95.08594	19.2
97.06567	1.4
97.10149	1.4
99.08099	1.6
105.07017	10.1
107.04969	1.1
107.08588	13.0
109.06530	2.3
109.10136	9.6
117.07030	3.8
119.08556	8.0
121.10130	12.7
123.08006	1.0
123.11674	4.9
125.17315	0.9
129.06984	1.5
131.08565	6.8
133.10091	6.0
135.11705	9.0
137.13208	1.2
139.11220	1.1
143.08574	1.7
145.10120	7.2
147.11699	3.3
149.13202	6.3
151.11130	0.9
157.10150	1.5
159.11644	4.7
161.13261	3.4
163.11118	1.0
163.14850	4.4
167.03511	1.2
173.09654	1.9
173.13199	5.9
175.07373	3.4
175.11234	1.4
175.14888	1.1
177.12851	1.1
177.16417	1.1
183.11798	1.1
187.14886	3.2
200.97177	0.9
205.15927	1.1
223.09793	1.0
231.09776	1.3
232.10739	1.9
243.13580	1.3
243.21024	7.1
246.19809	1.0
261.14761	2.4
261.22113	23.5
271.13196	1.5
277.10526	2.3
281.11374	2.3
288.13376	1.4
299.12521	13.0
313.21567	1.3
315.12070	1.6
317.13644	1.3
327.11938	1.8
327.23029	1.3
335.25967	3.7
344.12375	5.0
351.19351	2.5
353.26770	6.5
357.20438	3.6
369.24014	1.4
384.19281	2.5
385.19827	2.4
387.25232	1.5
395.18225	2.2
429.18774	2.0
435.25134	2.5
449.07980	1.1
453.26080	31.7
461.28998	1.2
471.26974	5.0
497.25052	100.0
498.25507	3.4
515.26062	64.4
515.36578	3.4
516.26678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
67.15876	0.7
69.07050	1.0
69.57128	8.2
76.00845	0.8
79.05494	0.7
84.17091	0.7
86.24649	0.7
91.05480	1.0
93.07062	1.2
95.08604	0.9
116.10660	0.7
143.57007	0.7
145.10066	0.8
149.27298	0.7
175.07285	2.0
180.87306	0.8
187.10898	0.8
217.08427	0.9
229.08234	1.0
231.09856	2.9
247.13058	1.8
271.12897	1.0
281.11435	2.1
288.13214	5.8
295.00836	0.8
299.12589	8.5
311.19791	1.2
313.14050	3.0
315.11993	1.7
327.11951	0.9
344.12500	3.6
351.19150	3.1
353.17358	1.1
356.19446	1.3
357.20255	2.8
370.17322	3.5
371.18219	3.3
373.71231	0.7
415.16983	2.0
421.23355	2.3
439.24545	32.7
447.19769	1.2
453.25897	3.1
471.26483	1.1
483.23502	100.0
484.23465	2.3
497.25073	6.5
515.24573	76.1
516.25427	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.24
Annotation	Telmisartan
Peak:m/z	Relative Intensity
53.14634	0.6
55.05497	0.6
62.59859	0.5
64.69221	0.5
67.05486	0.6
68.06201	0.5
69.07063	0.7
70.42946	1.5
70.87524	0.5
79.05493	0.9
81.07055	0.9
85.06554	0.6
90.67799	0.5
91.05453	1.2
93.07019	1.1
95.08573	0.7
105.06998	0.6
107.08551	0.9
117.06992	0.5
121.10127	0.7
132.49086	0.5
133.10077	0.6
135.11667	0.6
195.60023	0.5
233.60716	0.5
288.13293	1.0
357.20398	0.9
428.22827	0.6
439.24231	0.8
483.23380	2.2
515.24017	100.0
515.37012	5.6
516.24457	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
56.70081	0.1
57.03434	0.6
59.04987	0.1
61.02899	0.2
61.37363	0.1
69.03400	0.4
69.75385	0.7
71.01331	0.1
71.04978	0.6
73.02901	0.5
81.03407	0.9
82.03705	0.1
83.04945	0.1
83.08577	0.3
85.02467	0.1
85.02902	1.5
87.04442	0.2
91.05457	0.2
93.07022	0.1
95.04935	0.3
97.02846	0.3
98.06149	0.1
99.04386	0.1
103.03923	0.1
105.07034	0.1
111.04424	0.1
111.08009	0.2
115.03880	0.3
119.08599	0.1
123.04418	0.1
129.05440	0.2
133.04964	0.5
137.05919	0.1
145.04909	0.1
153.01857	0.2
157.10097	0.1
165.01801	0.2
176.11510	0.1
179.03378	0.2
179.07028	0.1
193.12201	0.4
194.12517	0.5
205.04947	1.3
206.05714	5.8
207.06502	6.7
221.08058	100.0
222.08374	1.7
267.15756	0.2
268.16171	0.4
281.04193	0.1
285.16882	0.5
286.17194	0.9
287.08817	0.1
310.17050	0.1
317.10123	0.1
353.12399	0.1
369.11673	0.9
383.13315	14.3
384.13635	0.3
509.90131	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	515.1178
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
55.01848	1.0
55.05477	0.9
60.23233	0.6
65.03915	2.2
67.05502	4.0
68.99754	0.8
69.03408	1.7
71.45130	1.9
81.03420	0.9
83.04972	7.0
85.02837	1.3
89.03879	1.0
93.03385	1.6
95.04958	7.9
109.02808	1.6
111.04424	6.7
114.62354	0.6
115.05435	0.8
121.36877	0.7
123.04414	3.1
127.03836	0.8
129.05441	1.3
131.04884	1.1
133.02834	2.2
135.04384	2.6
137.02332	12.7
137.03355	1.3
139.03867	2.9
142.42680	0.6
145.02798	1.8
147.04425	1.5
151.03888	1.2
159.04405	1.3
160.05190	3.4
161.02321	1.1
161.05965	2.4
162.03108	0.9
163.02661	1.1
163.03900	12.3
165.06963	5.0
167.08533	0.7
173.02328	5.8
177.06956	1.7
179.03389	1.2
181.06465	4.4
187.03827	5.0
188.07021	1.1
193.06419	3.9
195.08031	2.1
197.05928	1.3
203.03358	1.3
205.04858	1.0
205.06473	7.9
211.07512	2.5
221.05951	28.6
223.07518	19.6
224.07893	0.9
225.05383	1.9
231.02777	1.9
233.05908	6.7
239.06955	5.7
249.05437	40.7
250.06107	2.5
251.07018	20.5
255.06544	1.1
266.05643	1.2
267.06522	7.4
269.08054	9.6
277.04922	26.4
278.05673	3.3
279.06430	5.7
285.07471	1.0
295.05978	100.0
296.06384	3.2
297.07526	5.4
305.04437	3.4
313.07013	15.5
323.05466	58.2
324.05786	2.0
325.07086	1.1
341.06543	25.5
444.27786	0.8
449.76520	0.8
469.11096	1.8
479.09576	0.9
497.10764	19.0
515.11719	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	515.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62465	1.0
56.96555	2.6
57.03402	0.9
61.54001	1.0
66.07850	0.9
70.06572	1.1
72.51411	0.8
85.02880	3.6
88.10307	0.9
89.03921	0.8
95.31306	0.9
97.02846	1.6
98.97554	5.9
104.81950	0.9
110.97609	1.1
116.98611	3.1
117.03347	1.4
125.27962	1.0
127.03888	1.3
128.98586	2.7
130.41939	1.0
134.99634	1.8
135.04425	2.9
141.52313	1.2
143.00142	1.5
143.03688	0.9
145.02803	1.3
146.99597	1.9
158.99623	2.1
161.01205	1.2
163.03871	20.8
164.04219	1.8
165.00803	1.5
170.99635	2.1
172.93776	2.7
172.97531	1.1
177.00647	2.0
189.00696	2.1
190.98610	1.9
193.07446	0.9
201.00691	3.7
208.99684	2.5
219.01689	4.2
231.01660	1.3
232.99670	3.2
237.02820	3.2
242.44786	1.1
243.01723	2.2
245.05055	1.4
247.04762	1.0
251.00665	1.9
261.02829	5.0
279.03799	2.9
281.06949	1.3
291.03809	1.2
321.04892	1.5
323.10068	1.1
335.02661	1.5
353.03839	2.1
365.10275	1.5
381.07590	1.7
399.08041	1.6
515.11462	100.0
516.12036	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	514.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.7
55.01865	2.6
55.05505	16.5
55.65891	1.3
57.03426	19.3
57.07056	3.6
59.05000	2.0
65.03939	3.0
65.85360	1.5
66.32700	1.6
66.44745	1.6
67.05495	57.3
69.03415	3.8
69.07062	19.2
69.77846	12.5
70.06605	2.0
71.01350	1.6
71.04991	6.3
79.05483	44.2
80.88831	1.6
81.02954	2.8
81.03412	41.4
81.07047	74.5
83.04979	17.1
83.08618	28.3
85.02899	15.9
85.06525	5.2
87.04427	1.7
91.05466	37.9
91.58298	1.4
92.05790	1.9
93.07030	48.0
95.04958	26.1
95.08594	24.1
97.06536	11.6
97.10152	4.4
99.04435	1.8
99.08083	2.0
105.03406	3.5
105.07029	23.3
107.04932	8.4
107.08584	27.2
109.06480	4.3
109.10155	6.9
111.08057	11.8
117.07021	6.2
119.08549	13.7
121.06515	2.3
121.10130	17.4
123.08048	5.5
123.11718	3.1
125.09603	4.0
127.07522	2.5
129.07001	8.2
131.08524	14.2
133.06462	2.6
133.10092	12.9
135.08098	1.8
135.11668	9.2
137.09598	3.0
142.07773	1.9
143.08658	1.7
145.10086	2.3
147.08046	2.5
147.11693	12.0
149.09628	4.0
149.13246	24.8
157.10104	13.3
159.11691	13.6
165.12761	2.7
173.09554	1.8
175.11211	10.5
177.12753	5.6
189.01599	1.7
193.12225	37.2
195.13826	12.5
195.63029	1.7
211.13280	56.2
213.14810	1.7
217.83430	1.6
230.14500	2.0
267.15878	21.9
269.17453	100.0
270.17572	2.4
285.16928	51.1
286.17130	2.1
424.27695	2.0
443.27936	2.4
461.28995	32.3
478.37039	2.5
479.30026	89.6
514.36072	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	514.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01857	6.7
55.05499	27.6
57.03426	26.0
57.07053	5.2
65.03934	3.1
67.05497	73.2
67.05842	2.6
69.03402	3.7
69.07063	21.7
70.91495	2.6
71.04966	10.3
71.08587	3.4
71.25514	5.6
71.25840	3.0
77.10071	2.9
79.05485	45.1
81.03410	65.0
81.07045	82.0
82.07384	5.0
83.04962	18.9
83.08604	31.4
85.02898	24.6
85.06545	4.9
91.05464	53.1
93.07034	53.6
95.04964	32.5
95.08592	31.4
97.02862	4.3
97.06516	12.9
97.10167	7.1
105.03358	5.7
105.07011	28.9
107.04928	7.8
107.08586	31.9
109.06476	6.9
109.10130	10.3
111.08029	15.4
113.05972	4.0
115.05441	2.6
117.07003	9.2
119.08562	23.2
121.06462	4.6
121.10151	19.9
123.08018	3.1
125.09560	2.9
125.66342	3.2
129.06972	7.8
131.08516	21.8
133.10115	20.1
135.11647	10.0
137.09610	3.4
142.07747	4.0
145.10135	6.4
147.08083	3.5
147.11610	14.1
149.09612	5.4
149.13245	24.3
151.32468	3.0
157.10057	14.4
159.11693	8.8
163.11095	2.7
165.12807	3.5
175.11168	13.9
177.12660	6.7
189.07390	2.9
193.12210	46.9
195.13770	10.0
211.13261	72.6
211.15192	5.7
233.15399	6.1
238.03561	2.9
238.57265	3.0
267.15839	30.6
269.17441	90.0
285.16925	63.4
443.27643	2.9
444.66644	3.4
461.28973	47.1
479.30048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01851	3.0
55.05504	4.8
57.03422	4.6
57.67890	1.6
61.02912	3.1
61.31543	1.5
67.05489	7.4
67.96194	1.8
69.03405	4.0
69.07021	2.0
69.84826	10.0
70.06587	2.0
70.26205	1.5
71.04972	2.0
73.02904	2.4
73.55342	1.6
74.63276	1.6
79.05472	6.2
81.03403	96.1
81.07034	7.0
83.04980	3.4
83.08608	22.1
85.02908	8.9
91.05467	13.3
93.07069	3.8
95.04955	27.6
95.08546	1.8
97.02882	6.0
97.10149	3.4
98.20686	2.8
99.04439	3.7
103.03918	4.7
105.06991	9.0
107.04929	7.1
107.08585	2.3
109.02899	3.2
109.06507	2.7
111.08069	13.7
117.06916	2.3
119.08561	11.5
121.06500	3.1
121.10102	5.1
123.04408	2.1
127.03899	4.7
129.06982	7.6
131.08545	8.6
133.06488	3.8
133.10086	5.8
137.09558	2.2
147.08009	5.7
147.11684	9.4
149.09586	7.0
157.10109	11.2
165.12738	3.5
175.11177	12.8
191.25085	1.8
193.12224	76.2
209.04439	37.0
211.13283	6.4
233.08073	1.9
263.09219	2.5
267.15875	51.3
285.16928	100.0
286.17346	1.9
309.16867	12.8
351.18085	2.3
363.17902	2.8
373.13861	5.3
375.17801	2.6
393.19119	3.5
429.21118	5.7
514.22522	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	513.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.6
57.02106	3.4
57.07072	43.5
67.05499	19.6
69.07055	51.5
70.06586	6.2
71.08624	5.0
71.82022	4.5
79.05473	7.1
81.07041	49.6
85.06538	3.4
85.10149	3.9
88.07598	8.1
89.06027	4.8
91.05441	3.9
93.06997	8.4
95.08594	96.9
96.61566	3.1
99.87477	3.0
102.09189	4.7
105.07032	3.7
107.08578	8.7
109.06585	3.0
109.10142	12.5
121.10177	6.0
123.11694	10.4
128.75548	2.8
135.08035	4.0
135.11668	13.7
137.13232	100.0
156.29634	3.1
163.07568	5.6
165.05412	9.6
177.09042	6.3
191.10625	4.2
201.09036	3.6
205.08553	5.2
219.10109	46.5
223.09491	4.5
237.11188	74.5
246.85233	2.9
249.11226	4.1
254.98917	3.3
256.26288	21.2
257.11676	3.3
257.26703	13.6
283.26291	21.5
284.26648	15.0
287.16315	6.7
305.17462	6.9
346.98853	3.7
359.22125	46.4
373.23669	60.5
373.27972	5.8
377.23004	3.4
495.27542	3.7
495.34634	65.0
512.50079	9.5
513.28168	6.6
513.36462	3.2
513.50635	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25098	0.7
55.05497	2.0
55.31734	0.8
57.07071	7.0
67.05482	3.6
69.07057	18.3
69.55297	8.0
70.06580	2.2
71.04989	0.8
71.08623	1.9
79.05490	1.5
81.07053	5.7
83.01328	4.1
85.06532	0.9
85.10187	1.0
88.07605	2.8
89.06015	1.2
91.05471	2.7
93.07024	6.5
95.08590	6.3
102.09166	2.3
105.07019	5.3
107.08571	5.9
109.06499	1.9
109.10142	6.1
117.07027	1.0
119.08559	3.7
121.06470	3.4
121.10114	4.9
123.11691	7.0
131.08543	2.9
133.10141	2.7
135.08061	4.8
135.11667	4.2
137.05977	3.0
137.13223	1.5
139.07558	1.0
143.35864	0.7
147.11662	3.7
149.09608	3.7
149.13228	5.8
153.05440	9.2
159.08064	4.4
161.13187	3.8
162.06738	5.3
163.07536	6.9
163.11179	0.9
164.98387	0.7
165.05461	49.7
167.07021	10.9
173.13235	1.0
175.14804	1.1
176.37041	0.8
177.09087	12.5
187.07568	4.3
189.16306	0.9
190.06380	1.0
191.17981	0.9
203.07069	1.3
205.08571	68.6
205.19455	3.9
211.09703	0.9
215.17880	2.1
217.08545	1.2
217.19476	7.9
219.10187	3.5
221.11699	22.9
223.09618	100.0
224.09975	1.1
228.23091	0.9
229.08646	0.9
230.94156	0.8
235.20584	2.2
237.11171	1.9
256.26309	4.9
257.26709	4.8
261.01700	1.0
274.27194	0.8
283.26297	6.1
284.26605	4.3
287.16409	1.0
291.15787	4.8
305.17529	1.0
343.22916	1.2
369.24191	16.2
387.20486	1.6
387.25198	11.8
425.26569	1.0
427.28467	18.5
439.28384	1.6
445.29572	4.6
457.29407	0.9
495.34576	2.0
512.50293	3.5
513.35431	1.1
513.50635	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	513.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.07064	6.1
64.42926	0.9
64.52332	0.7
65.03918	0.8
65.32854	0.8
67.05492	6.9
69.03416	0.8
69.07054	17.3
69.54685	5.6
69.55107	2.9
70.06565	3.0
71.08621	1.8
71.67813	0.8
73.02908	1.1
79.05468	3.5
81.07042	14.6
83.01328	4.9
83.08603	3.0
83.84774	0.8
85.10174	1.6
88.07614	4.8
89.06001	2.2
91.05477	4.2
93.07028	11.9
95.04963	1.2
95.08588	15.3
96.98548	0.9
97.10176	1.5
98.51254	0.8
102.09159	4.5
103.09499	0.9
105.06996	2.9
107.08568	9.2
109.06503	1.8
109.10151	11.4
111.11705	1.1
119.08568	2.5
121.06476	2.8
121.10115	11.4
123.11694	6.1
125.78040	0.8
127.03941	1.1
131.08554	3.1
133.08591	1.5
133.10118	1.3
135.08040	5.6
135.11682	6.7
137.05974	2.7
137.13206	1.5
147.11696	1.6
149.09583	5.5
149.13232	14.4
153.05446	7.5
159.08018	6.7
161.13214	1.6
162.06754	4.4
163.07550	8.2
163.14824	1.3
165.05450	55.1
167.07014	9.1
177.05524	1.1
177.09076	16.0
177.10583	1.2
179.07010	2.2
187.07549	5.4
191.07047	1.7
203.07013	1.2
203.18063	0.9
205.08568	66.3
205.19472	14.8
206.08775	1.0
217.19525	2.3
219.10135	3.2
221.09511	1.7
221.11700	46.0
223.09613	100.0
224.10011	1.2
228.23253	1.4
231.10103	1.1
237.11140	5.4
243.10063	1.3
245.11620	1.1
256.26297	8.8
257.26584	6.4
261.11218	2.4
283.26266	8.0
284.26544	8.5
291.15848	11.3
311.29260	1.2
357.20621	1.1
369.24170	14.5
387.25201	2.4
425.26364	1.3
427.28561	8.4
474.88223	0.9
512.50348	4.2
513.50641	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.4
55.05494	10.0
55.46602	3.5
55.73134	2.6
57.06794	4.8
57.07069	51.6
58.06578	3.4
67.05491	9.7
68.51926	2.9
69.07055	45.8
70.06589	22.1
71.04972	9.3
71.08617	16.5
73.02899	3.4
79.05472	8.4
81.07043	19.4
83.04976	3.9
83.08591	5.7
85.06517	5.2
85.10174	8.9
85.73392	3.4
87.04424	5.1
88.07626	26.2
89.06013	16.9
91.05459	8.5
93.07042	20.4
95.04957	6.3
95.08603	22.0
97.10168	3.4
99.04451	16.0
102.09163	21.3
103.09505	4.6
105.07020	13.0
107.04935	2.9
107.08556	13.6
109.06484	7.4
109.10154	15.1
111.08093	6.2
114.58495	3.1
117.06987	3.4
119.08553	5.5
121.06499	5.0
121.10098	8.1
123.04453	3.2
123.08036	5.1
123.11621	3.0
131.08548	5.4
133.08565	9.6
133.10110	6.0
135.04482	3.7
135.07997	6.4
137.09608	9.6
145.06508	5.7
145.10110	8.9
147.08017	6.9
147.11710	3.2
149.09602	10.2
151.03915	8.4
153.05414	5.2
159.11719	4.3
161.05980	3.9
161.09563	6.6
163.03842	4.2
163.07512	6.2
163.11075	3.9
165.05444	9.8
165.07204	3.2
167.07019	3.8
169.06464	5.3
173.05904	3.9
175.07506	9.7
177.05426	5.6
177.08986	4.8
177.11211	4.2
181.04839	4.7
189.05441	6.6
189.09111	11.5
191.07011	11.0
199.07419	3.5
199.11086	5.8
203.06943	4.2
205.08615	12.9
207.10130	3.8
209.08044	5.9
211.11169	5.2
217.08563	61.3
219.10098	15.2
223.09642	13.4
227.10715	3.9
228.23082	4.9
235.07440	3.9
235.09590	36.7
235.11394	3.6
243.10205	5.6
245.11699	8.5
256.26334	57.4
257.26511	19.7
261.11142	15.1
265.12180	4.2
265.15933	3.9
269.11621	5.9
273.14832	9.5
274.27383	4.5
277.11993	3.5
279.12030	4.0
283.26300	66.7
284.26703	18.9
287.12750	13.8
289.14246	4.8
291.15860	60.4
295.13254	5.3
305.13904	4.6
311.29410	4.0
317.17538	4.1
319.16711	7.3
337.17871	13.0
343.18985	8.1
353.17337	14.8
355.19061	16.2
359.22076	10.1
361.20093	11.5
371.18475	31.6
389.19516	32.1
409.23318	4.4
411.25143	28.6
427.24603	21.4
429.26376	8.1
445.25812	60.7
479.31888	3.5
495.30878	5.5
512.50360	100.0
513.31281	13.8
513.50659	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71907	2.2
55.05490	5.0
57.07066	47.4
59.02045	1.9
61.38274	2.5
67.05475	7.3
69.03424	2.2
69.07055	38.9
69.72314	2.2
70.06570	6.2
71.08598	6.0
71.81803	4.6
79.05484	4.0
81.07040	12.0
85.06539	6.2
88.07609	8.6
91.05461	6.7
93.07024	9.9
95.04926	2.7
95.08589	17.1
99.04403	2.1
102.09150	7.4
105.06998	10.1
107.04935	3.8
107.08562	9.8
109.06504	3.0
109.10114	5.1
119.04916	3.0
119.08556	7.8
121.06487	3.0
121.10130	8.4
123.08073	2.8
131.08530	7.6
133.08533	2.9
133.10088	6.0
135.08044	3.7
135.11671	7.1
142.07718	2.7
143.08534	3.7
145.10109	7.6
146.56192	2.1
147.11624	4.3
149.09621	3.6
151.03841	2.4
155.08569	4.1
157.06448	2.4
157.10109	5.7
159.11633	5.6
161.09657	3.0
161.13135	2.9
163.07463	3.1
169.06470	9.7
171.08002	5.0
173.09592	15.5
173.13191	2.5
175.07518	7.5
175.11153	2.1
181.10103	4.4
183.11661	18.3
185.13197	2.7
189.05450	2.1
189.09056	7.9
191.07007	8.1
195.11731	4.3
197.13286	2.6
199.11220	4.5
201.09120	3.7
203.07036	2.9
205.08595	6.5
207.11734	3.9
209.07927	2.9
209.09657	3.4
209.13329	5.6
211.11147	21.9
211.14621	2.6
215.06973	2.5
215.10645	3.8
217.08548	37.6
219.10167	4.4
221.13213	6.9
223.07590	3.0
223.11191	7.8
225.12675	6.6
229.12129	3.3
233.13385	3.0
235.09380	17.5
237.12804	3.6
237.16202	5.0
243.10207	7.4
249.12723	6.9
251.10677	2.7
253.12291	4.3
256.26358	17.7
257.26605	4.7
259.11026	3.3
261.10974	11.1
263.17999	2.5
265.12180	9.0
265.15921	10.7
269.11636	3.0
271.13269	4.0
273.16498	3.7
277.12411	18.5
277.15247	4.1
279.12195	6.7
281.11813	3.3
281.15295	2.9
283.13007	2.8
283.26248	19.2
284.26669	4.2
287.12613	2.4
289.16055	2.2
291.15662	30.2
295.13260	5.2
297.14871	2.7
301.15421	4.1
309.18289	5.2
315.16019	3.8
319.16867	44.8
321.18372	8.0
325.17859	3.5
329.48465	2.2
329.52982	2.3
335.16010	2.7
337.17902	80.5
339.19528	6.0
343.18909	4.2
353.17349	5.0
355.18973	71.2
369.20300	2.5
371.18265	4.3
371.22238	6.3
373.21091	3.0
375.23114	6.9
377.24905	3.0
387.23224	2.4
389.19443	13.4
391.22580	8.4
393.24216	40.8
395.25711	7.1
405.24170	5.9
409.23584	8.1
411.25204	100.0
433.31027	6.6
443.23941	3.2
443.29471	6.6
445.25824	27.7
461.30377	5.8
479.31378	11.3
512.50275	28.9
513.28131	20.0
513.34369	3.9
513.50580	29.4
520.35919	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	513.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.5
57.07065	33.1
67.05502	6.8
67.39989	2.3
69.07061	25.3
69.60942	24.7
79.05480	5.8
81.07045	10.3
83.08631	3.3
85.06541	6.2
89.89954	3.1
91.05468	7.9
93.07048	20.8
93.07568	3.3
95.08604	10.7
99.64733	2.5
102.09078	2.4
105.06997	14.9
107.08573	10.2
109.06490	4.0
109.10127	4.0
113.00601	2.5
117.07019	3.3
119.08560	7.1
121.10120	23.5
123.08065	3.5
131.08591	4.8
133.10112	16.2
135.08061	3.4
135.11696	3.9
143.08542	4.1
145.10130	9.1
147.08052	2.7
157.10107	6.2
159.11729	3.7
161.09647	4.1
163.03929	3.8
163.07626	3.1
163.11215	4.0
164.76851	3.3
173.09698	6.0
175.07565	5.3
181.10052	3.2
183.11737	6.3
189.05379	4.2
189.09134	3.6
191.07043	7.5
201.09058	4.9
203.10692	5.1
205.08505	4.4
207.06505	4.0
209.08041	3.3
209.13283	3.6
211.11159	8.6
217.08612	24.7
219.10107	12.9
225.12721	3.5
229.12209	3.1
231.09926	3.2
235.09615	10.8
243.10188	3.5
256.26254	5.1
257.11615	3.7
263.08719	3.7
265.15994	3.9
267.13651	2.9
271.13202	8.6
273.10754	4.0
275.16757	2.9
277.12210	4.0
279.12170	5.1
283.26306	5.1
287.12833	5.8
291.15811	23.7
297.14706	10.4
299.12610	7.5
301.14038	5.6
305.17291	5.6
309.15012	3.3
319.16928	9.2
321.46158	3.2
325.14130	6.5
325.17612	4.1
337.17850	15.8
339.19385	5.4
343.18964	5.2
355.18933	22.2
359.18555	6.9
361.17743	9.2
371.18494	4.0
375.23135	4.4
379.18817	24.1
385.23822	4.4
393.20242	43.2
393.24490	4.7
397.20029	3.4
411.20526	5.0
411.25577	22.2
427.20694	18.4
445.25827	18.1
461.30331	8.6
463.24466	27.3
479.31247	7.3
481.25476	45.2
493.76016	3.0
495.26892	100.0
496.27347	5.9
512.50323	8.0
513.27045	41.4
513.50787	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.2
55.05503	9.8
57.03418	5.2
57.07080	2.1
61.02929	14.4
67.05147	2.1
67.05491	29.4
67.91342	1.7
69.03407	6.4
69.07056	10.6
70.92807	4.7
73.02905	7.6
77.03912	2.0
79.05482	29.2
81.03392	5.5
81.07043	27.4
83.04961	3.6
83.08601	7.3
85.02883	11.8
85.06543	2.0
91.03935	6.3
91.05471	34.3
93.07032	40.7
95.04944	6.7
95.08591	19.7
97.02874	9.8
97.06502	4.4
99.08035	2.0
105.03391	4.1
105.06345	2.3
105.07014	34.8
107.08580	20.9
109.02779	2.2
109.06492	2.4
109.10140	10.9
117.07005	10.3
119.08566	32.8
121.06497	2.3
121.10120	22.9
125.09637	3.1
127.03878	3.1
128.06168	2.8
129.05449	2.7
129.06995	8.6
131.08551	16.3
133.06577	2.0
133.10101	32.1
135.11671	16.7
143.08548	7.6
145.10126	16.5
147.11670	23.3
149.09605	2.9
149.13258	13.4
149.14244	2.5
155.08548	1.9
157.10165	5.2
159.11703	13.9
161.13248	21.2
162.98892	1.7
163.11076	3.0
163.14806	5.8
167.08543	1.8
169.10121	2.5
171.08044	2.2
171.11641	8.2
173.13243	7.2
175.14807	10.8
177.12798	2.1
183.11655	2.5
185.13257	8.6
189.12781	2.8
199.14799	6.1
213.16307	2.8
217.19455	2.0
221.00493	1.9
231.21043	4.3
241.19489	20.6
259.20560	54.2
264.01407	1.9
269.17346	2.5
271.20319	3.0
275.20099	2.6
277.21362	2.1
301.21576	2.7
325.21643	1.9
333.24042	3.0
349.23663	4.1
351.25266	100.0
363.25287	3.3
367.22177	2.6
375.25247	3.3
385.23404	2.0
423.27652	3.1
441.26501	4.4
459.27393	3.8
477.28427	4.8
495.13129	2.1
495.29233	6.8
513.29425	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	513.3053
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03936	2.0
54.44192	1.5
55.05499	9.6
57.03415	5.7
57.07057	3.5
58.07385	1.4
61.02919	13.0
67.05498	25.7
69.03419	2.5
69.07056	9.5
70.86151	5.3
71.04989	3.4
73.02898	3.0
79.05035	2.2
79.05484	33.3
81.03416	3.8
81.07046	28.5
83.08599	4.5
85.02898	9.6
85.06535	4.0
91.03941	6.0
91.05468	23.1
92.28391	1.6
93.07033	42.1
95.04970	3.9
95.08598	21.0
97.02866	7.1
97.06535	2.5
97.10157	2.6
105.03405	2.1
105.07021	27.7
105.34840	1.5
107.08575	25.1
107.09244	2.5
108.09170	1.5
109.06498	2.7
109.10159	9.7
111.04395	1.5
117.07006	9.4
119.08555	23.6
121.10136	22.0
127.03916	2.0
129.06979	5.3
131.08554	11.0
133.10110	24.9
135.11664	20.2
141.06953	2.2
142.07722	1.7
143.08534	6.0
145.10115	14.6
147.11659	21.1
149.09644	2.0
149.13252	15.7
155.08479	2.5
157.10120	10.5
159.11699	15.6
161.09502	1.6
161.13234	16.4
163.11166	2.2
163.14729	4.2
169.10074	2.9
171.11641	8.0
173.13281	8.0
175.11255	1.9
175.14803	9.3
185.13245	6.9
199.14784	5.2
213.16437	2.7
217.19424	1.8
231.21056	4.9
241.19513	18.8
259.20544	48.4
277.21692	7.5
333.24377	7.7
347.73767	1.7
349.23895	2.6
351.25256	100.0
375.25266	2.8
441.26297	5.3
443.09076	1.8
459.27350	4.9
472.57602	1.6
477.28348	4.2
495.08240	1.6
495.29678	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42446	1.7
53.03933	2.9
55.01878	1.8
55.05502	10.7
57.03418	7.8
57.07061	2.4
61.02924	9.6
63.53149	1.7
67.05498	30.6
69.03407	4.0
69.07054	9.8
69.58833	17.5
71.04961	4.4
72.08181	1.9
73.02900	5.5
79.05485	29.3
81.03391	5.2
81.06577	1.8
81.07047	34.2
83.04944	3.0
83.08607	7.0
84.90363	1.8
85.02907	9.8
85.06518	4.5
91.03927	6.7
91.05466	24.9
93.07031	46.8
95.04945	5.2
95.08589	25.3
97.02884	6.8
97.06503	5.9
97.10152	3.8
99.08070	1.9
105.03349	4.2
105.07019	30.1
105.15237	1.8
107.08576	25.5
109.06493	2.3
109.10125	11.5
117.06982	9.0
119.08576	29.4
121.10123	21.1
123.08098	2.9
123.11707	3.1
125.09644	2.2
129.06973	6.0
131.08546	14.7
133.10115	25.0
135.08040	1.8
135.11702	20.0
143.08542	7.4
145.06506	2.6
145.10121	13.9
147.11646	22.0
149.09602	2.6
149.13243	16.2
155.08612	1.9
157.10126	9.6
159.11682	14.3
161.13222	20.7
163.11122	4.2
163.14783	7.7
169.10121	2.7
171.11707	13.8
173.13232	7.5
175.14793	11.4
177.12697	4.1
185.13249	11.3
199.14819	4.5
217.19576	3.9
231.17459	2.4
231.21086	5.7
241.19499	20.2
259.20532	51.0
272.63571	1.9
277.21555	5.6
301.21481	2.0
333.24307	5.9
349.23779	4.2
351.25275	100.0
363.25250	2.3
375.25226	2.9
403.25055	2.4
423.27383	2.6
441.26294	6.7
459.27502	4.3
477.28537	3.8
477.36380	4.2
495.29434	5.5
513.28418	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	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.01864	33.4
55.05502	51.0
57.03428	20.4
57.07052	9.7
58.56354	1.6
59.04988	2.1
65.03928	4.2
67.05494	85.3
69.03420	13.2
69.07056	23.8
70.04220	2.7
70.91899	1.7
70.92241	6.8
71.01337	2.4
71.04983	10.6
73.02889	5.9
79.05478	71.9
81.03404	97.8
81.07044	63.0
82.04182	8.9
83.04965	36.2
83.08604	41.2
85.02893	36.2
85.06543	5.5
91.05465	73.2
93.07031	46.2
94.07836	2.1
95.04951	57.3
95.08591	28.1
97.02867	9.5
97.06521	15.6
97.10148	21.1
98.03648	2.3
98.07300	9.9
99.08073	3.9
103.05467	2.5
105.03366	2.0
105.07011	46.8
107.04944	16.8
107.08577	31.0
109.02860	2.2
109.06503	11.3
109.10143	26.5
110.94654	2.0
111.04440	12.4
111.08055	24.9
113.06003	5.3
115.05458	3.4
116.04690	4.5
117.05443	2.3
117.06979	10.5
119.08559	32.8
121.06490	7.7
121.10120	21.7
123.04402	4.1
123.08039	12.3
123.11701	4.9
125.09607	21.5
126.10251	1.7
127.11189	5.6
128.06146	2.5
129.05484	4.5
129.06982	21.3
131.08534	29.4
133.06453	5.1
133.10098	23.1
135.08067	6.6
135.11687	10.2
136.08846	2.6
137.09589	5.3
139.07610	2.5
139.11217	2.2
141.09105	1.8
142.07759	5.0
145.06487	2.1
145.10097	12.7
147.07991	9.5
147.11656	25.9
149.09563	11.8
151.11165	2.1
151.33507	2.1
153.09126	3.1
155.08545	2.5
157.10115	28.6
158.05771	8.7
159.11670	2.0
163.11179	10.8
164.12032	2.3
165.09055	1.9
165.12743	6.6
167.07117	2.4
171.06503	14.9
173.11726	4.5
175.11163	22.1
185.08089	6.1
189.11166	4.2
191.10722	3.3
193.12216	85.1
194.78726	1.9
199.09656	6.7
199.13300	11.0
201.14854	2.3
209.11667	12.8
210.12463	3.8
211.13266	97.9
227.12737	17.2
229.14410	4.9
241.14418	2.6
242.15199	4.3
245.13634	1.9
249.14803	4.5
253.14449	2.0
255.15860	10.1
260.59256	1.8
267.15820	18.0
268.61783	2.3
273.58560	1.8
278.94595	2.0
283.15430	8.9
285.16983	16.2
298.17715	3.6
301.16440	6.9
307.73404	1.9
311.18500	5.0
311.21930	4.1
313.16473	1.8
325.23642	2.8
339.17957	11.4
339.21738	5.7
367.21054	3.8
382.27167	6.7
383.22256	4.6
391.24927	2.1
403.99860	2.2
409.25842	9.3
421.25769	3.8
437.25134	2.8
439.26782	15.7
457.26227	2.9
465.28378	4.0
475.27124	12.9
476.27606	5.2
493.27963	26.7
494.28995	7.8
511.28989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01865	0.8
55.05498	1.2
57.03427	1.2
67.05492	1.7
69.03418	4.9
70.53576	2.3
71.04975	2.4
73.02896	0.8
79.05481	1.5
81.03406	4.8
81.07033	2.3
83.04984	1.4
85.02888	3.5
88.24457	0.5
90.94735	0.6
91.05459	1.5
93.07028	1.7
93.19871	0.5
95.04939	1.0
95.08603	1.6
95.65927	0.5
97.02875	2.1
99.04440	10.3
100.46018	0.6
103.03924	3.7
105.03396	1.6
105.07037	2.0
107.08574	1.1
109.02859	3.3
109.10135	0.7
111.04416	0.7
115.06241	0.6
117.05477	2.4
117.07063	0.6
119.08549	1.3
123.04417	0.9
127.03874	5.0
131.08542	0.7
132.08064	0.7
133.10107	1.1
135.04358	0.7
135.06635	0.7
135.07945	0.5
137.05943	2.7
145.07556	3.6
145.10104	1.1
147.09155	9.2
147.11638	1.2
159.09157	7.4
160.09894	1.4
167.07050	1.7
173.10739	1.6
175.08702	2.7
185.10736	2.2
187.08647	1.4
189.10205	1.5
191.08133	45.9
193.12192	0.9
197.10809	1.6
199.12311	1.7
200.09389	0.6
213.10341	1.3
215.08231	1.1
215.11838	1.3
216.07692	6.2
225.10210	0.9
227.11757	1.3
229.13721	0.7
236.80731	0.6
243.11281	1.5
245.09082	1.0
245.12885	3.5
263.13834	5.1
271.10751	3.7
275.20108	0.9
289.11780	5.7
305.14899	1.2
306.14471	1.2
307.12839	27.8
345.18085	1.7
347.16245	0.6
349.23715	1.8
350.13461	2.5
371.15961	0.9
389.17014	6.9
391.14966	0.8
406.19550	1.8
415.15021	2.4
432.17642	2.3
433.16293	2.4
450.18652	2.4
451.17007	5.7
494.17661	100.0
495.18039	1.3
511.23523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.6
56.96543	2.2
57.03418	4.3
61.02901	3.1
69.03418	11.5
71.04967	2.5
71.79546	1.5
73.02902	5.5
81.03390	3.4
85.02895	23.9
87.04460	2.3
97.02304	1.7
97.02871	11.9
98.97575	5.3
99.04450	3.0
101.00858	2.4
102.04021	2.3
103.02405	1.5
109.02876	2.4
112.99118	4.1
116.98620	3.2
118.03506	4.5
119.01898	11.0
125.70746	1.3
127.03918	9.5
131.00143	6.2
131.01872	3.5
133.03381	1.9
136.04538	4.2
137.02879	1.3
141.03278	1.2
141.05075	7.5
141.46280	1.2
143.01872	8.0
143.06606	6.0
145.03462	6.6
145.04890	6.0
146.99637	1.7
149.01212	2.6
149.02769	1.7
152.02361	1.2
155.01842	4.6
155.02927	2.0
157.03470	4.3
158.99623	3.6
159.06091	9.9
160.04735	1.2
161.02916	10.1
161.07671	11.2
163.04439	1.3
166.03406	1.1
167.01906	2.6
167.31296	1.1
169.04315	12.5
170.99667	1.8
171.05005	1.2
173.01572	2.1
173.02898	8.9
175.02731	1.3
175.04544	1.4
177.00688	1.9
178.03326	2.7
178.04829	41.9
178.55075	3.8
179.01930	1.6
182.03416	1.1
182.99629	1.9
184.04539	4.8
185.02927	17.0
187.04074	2.2
187.05632	44.1
189.00691	2.6
189.55692	3.5
191.03889	4.3
193.03856	3.9
196.04555	2.4
197.02917	5.8
200.04364	7.2
201.00716	2.0
203.03973	4.6
205.06685	34.0
211.05655	6.6
215.04031	3.2
219.01747	5.3
221.05006	1.5
227.03918	3.6
229.01920	2.9
229.06667	100.0
230.05042	6.8
230.07007	2.1
235.06615	2.6
237.02684	5.9
241.06635	20.0
242.05016	1.3
245.05045	29.0
246.05312	1.9
247.02901	2.2
250.06995	17.4
253.06641	4.9
257.05112	1.6
259.07571	52.2
259.57739	5.6
261.02884	2.6
263.06104	6.6
265.06702	1.8
271.07642	2.7
272.06479	4.5
272.56790	1.9
275.06219	3.0
279.03815	3.2
281.07034	16.7
281.57166	2.8
283.07538	2.0
284.75909	1.2
289.08740	20.2
295.07831	1.2
313.08829	2.0
331.01019	2.1
331.05350	2.4
331.09778	20.5
337.09204	6.9
340.10153	24.2
340.60468	4.5
349.06146	6.9
349.10825	18.3
355.09131	5.1
362.09601	6.6
362.59918	2.1
365.09753	1.8
392.93903	1.6
397.10803	1.9
441.09830	1.1
511.16705	16.9
512.14764	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	510.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96019	1.1
55.05486	4.0
57.03420	2.9
57.06792	2.1
57.07067	38.3
61.02900	2.8
67.05489	9.4
69.07058	8.8
69.64893	4.1
69.65332	5.9
71.08241	2.0
71.08618	28.7
75.04470	4.0
81.07047	16.7
83.08601	11.5
85.02893	3.0
85.10168	18.8
86.17423	1.0
91.03964	1.3
91.05486	1.9
93.07008	2.3
95.08588	25.0
97.02898	1.4
97.10160	5.8
98.20775	2.6
104.10744	1.3
105.07011	1.2
107.08538	1.4
109.10149	12.5
111.11652	2.0
119.08577	1.3
121.10123	1.7
123.04484	1.2
123.11703	4.4
126.79710	1.1
137.13225	2.4
162.57516	1.0
165.05440	1.3
175.40021	1.2
221.22777	1.3
237.11256	1.6
239.23679	26.2
257.24747	4.5
270.18677	1.3
313.27322	100.0
314.27502	1.6
331.28375	20.8
368.95032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.4
57.07050	7.6
67.05487	13.4
69.03416	3.8
69.07062	10.6
71.04982	16.0
71.81929	3.8
71.82287	3.7
79.05493	6.5
81.07037	9.7
83.04952	4.5
86.09674	3.6
86.60397	3.5
91.05473	11.0
93.07025	16.9
95.08594	25.2
105.07047	19.7
107.08596	28.1
109.10156	19.0
117.59298	3.5
119.08572	10.0
121.10132	29.2
123.08073	6.9
123.11668	6.6
129.06989	4.3
131.08591	4.6
133.06360	3.7
133.10092	23.4
135.08000	5.5
135.11668	60.9
145.10136	6.5
147.08031	5.7
147.11693	4.1
155.08484	4.3
159.08115	5.6
159.11716	13.5
161.09616	6.4
161.13185	4.0
161.66232	4.0
163.11230	4.7
165.05441	4.5
169.10156	5.3
171.07986	4.7
171.11697	6.8
173.09566	4.3
173.13103	3.1
175.11166	8.2
177.09056	6.7
183.11662	4.4
185.09654	5.9
187.11179	9.5
189.09154	8.3
199.06000	9.1
215.10670	5.8
217.08521	4.3
225.12750	5.5
231.10214	3.6
243.13632	3.6
257.15308	4.7
285.14835	5.4
291.17358	4.0
294.11743	4.2
305.17471	6.3
309.18405	9.5
311.20059	7.5
327.19495	12.5
355.18985	7.6
373.20154	6.3
379.22653	4.6
407.22723	4.4
425.23245	8.0
443.24258	100.0
457.25757	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	510.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	13.4
67.05494	9.3
69.03422	9.0
69.07072	7.5
71.05001	6.8
79.24038	6.1
81.07060	7.3
84.96728	6.6
88.07365	7.0
89.19241	6.8
93.07043	15.6
95.08590	26.2
105.07001	50.4
107.08597	14.8
119.08574	18.0
121.10118	11.9
123.08091	10.0
133.10117	9.1
137.09589	16.4
141.14479	7.0
143.08559	15.2
145.10104	32.7
147.11681	20.1
157.10165	12.4
163.07513	7.7
169.10106	8.3
171.08055	16.6
173.09654	43.7
175.11200	36.0
185.13251	13.1
191.10582	21.6
195.11754	26.8
197.13240	31.8
199.09657	21.8
213.12697	41.6
213.24751	6.9
223.11279	14.2
227.14270	7.2
231.10139	7.6
237.11349	6.6
239.18062	11.0
241.12213	22.8
243.13661	7.8
255.13824	9.8
257.15460	8.3
259.09619	13.0
273.14856	42.7
283.16891	12.8
301.14365	16.6
305.17151	7.6
311.16333	10.0
327.19507	29.1
343.18988	31.1
371.18558	46.8
375.18005	8.1
389.19562	86.3
407.20636	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94970	2.8
55.05497	3.1
57.07067	67.4
61.34885	2.9
67.05497	4.6
69.03407	5.2
69.07051	8.7
69.90955	6.2
69.91367	12.6
79.05450	3.9
81.07048	4.0
85.06544	8.2
91.05450	4.0
93.07038	5.8
95.08581	4.1
97.02885	9.9
97.10136	3.5
105.07024	76.8
107.08583	12.3
109.10146	5.7
117.07019	3.6
119.08578	13.2
121.10162	11.6
125.09645	5.8
127.11139	4.1
131.08525	16.1
133.10083	3.3
135.08046	10.6
135.11652	5.0
137.09579	17.2
143.08560	4.6
145.10104	32.2
146.10890	9.4
147.07979	5.4
147.11673	28.2
149.05945	8.5
153.09090	12.6
157.10089	6.9
161.09543	3.6
163.07492	6.8
169.10287	3.3
171.07983	4.7
173.08139	3.1
173.09601	81.6
174.25162	2.8
175.11169	54.0
180.54651	3.5
181.08577	9.4
181.12119	3.4
184.72137	3.4
191.10667	29.3
193.12233	7.2
195.11690	4.0
195.94203	3.6
197.13237	7.1
199.09645	100.0
201.09192	3.5
203.14284	4.2
213.12709	8.5
217.08495	3.9
218.71492	3.2
221.15346	3.8
239.16365	5.3
240.38356	3.1
249.14764	32.1
259.13214	15.2
281.18869	7.0
291.17413	3.9
309.18387	21.6
311.20041	8.0
327.19513	10.1
333.17041	3.9
337.17953	21.0
343.18857	5.4
355.18903	26.3
361.20016	4.4
371.18405	11.5
373.20065	20.8
389.19461	41.5
391.21173	8.9
395.26132	4.2
407.20496	6.9
439.24713	15.9
457.25644	13.6
475.26633	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	510.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	44.4
59.48286	5.9
69.03432	10.6
69.65083	51.9
69.65410	11.3
71.05003	10.4
81.07039	5.7
85.06543	6.3
85.56086	5.4
91.05432	6.5
93.07040	15.8
95.08604	11.4
98.21472	14.3
105.07011	37.3
107.08588	13.8
119.08585	14.5
120.45156	5.7
121.10090	6.9
131.08501	5.7
133.10158	6.2
135.08023	8.8
135.11684	11.1
143.08524	11.5
145.10086	25.6
147.11664	16.6
159.11746	10.5
171.08057	9.9
171.11694	14.4
173.09618	40.7
175.11166	24.7
185.13196	9.5
187.11238	8.4
191.10712	11.6
195.11676	20.1
197.13258	21.4
211.15005	5.8
213.12650	30.8
223.11156	7.2
225.12857	7.7
231.10136	8.9
235.13242	20.8
239.17946	12.6
241.12192	12.9
255.13789	7.0
259.09634	17.3
267.17502	14.1
273.14899	42.5
283.16946	11.8
291.15475	13.6
295.17163	8.4
301.14282	14.4
311.16476	11.2
325.17911	8.1
327.19492	26.7
343.18979	25.6
355.18912	10.1
371.18527	27.9
373.20084	8.9
389.19537	96.6
407.20615	100.0
457.25766	48.5
539.08539	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	510.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	41.0
62.98564	2.3
69.03407	4.6
69.07047	3.9
69.67818	22.0
83.04987	3.0
85.06537	7.6
91.05469	3.2
93.07028	4.0
95.08580	3.7
97.02872	9.4
97.06537	2.8
98.20705	5.4
105.07011	41.5
107.08576	4.0
109.57643	2.5
119.08546	7.3
121.10173	3.9
125.09568	4.6
130.07811	2.9
131.08543	9.5
135.08049	5.9
137.09624	6.3
145.10101	18.7
146.10899	8.3
147.11659	11.8
149.05904	4.7
153.09090	8.3
157.10051	3.4
163.11165	3.3
173.09607	36.9
175.11203	23.1
181.08551	4.8
185.57822	2.8
191.10651	23.4
193.12227	4.8
197.13219	4.3
199.09630	100.0
213.12761	4.0
244.49420	2.8
249.14813	8.9
259.13281	20.1
309.18433	11.7
337.17941	6.4
355.18954	9.8
371.18372	13.5
373.20087	7.8
389.19534	47.6
407.20624	10.3
439.24637	6.7
457.26019	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	510.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
55.32820	4.8
57.07053	9.1
67.05511	7.7
69.03419	8.9
69.07076	7.5
71.00938	12.8
71.04987	15.1
81.07050	7.3
91.05487	7.3
95.08585	8.5
105.07036	31.4
107.08598	10.3
109.06565	6.4
119.08544	8.7
121.10133	9.9
128.06262	4.2
131.08571	5.4
133.10123	5.2
135.11687	7.2
143.08551	8.6
145.10118	27.0
147.11656	6.7
157.10123	11.6
169.10117	6.3
171.08083	12.8
171.11684	9.1
173.09619	20.2
175.11197	9.1
180.09373	4.7
185.13257	12.7
191.10660	8.2
195.11674	19.6
197.13251	28.0
199.09624	9.6
213.12755	38.1
223.11145	8.4
225.12666	8.0
231.10170	6.9
235.13412	6.3
239.17947	16.9
241.12238	17.7
243.13699	6.8
255.13840	11.7
259.09753	35.0
265.15945	5.7
267.17404	8.8
269.11795	7.9
273.14835	47.8
283.17059	8.7
291.15894	18.6
293.15390	8.1
295.16922	6.1
301.14322	16.1
311.16351	8.6
325.17899	6.7
327.19666	11.4
337.18002	5.7
343.19073	31.2
345.20612	9.7
353.17435	9.8
371.18451	31.0
383.17926	5.9
389.19507	96.3
407.20679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39790	2.1
55.05509	20.4
57.03432	2.1
57.07072	16.9
60.37041	2.3
63.66761	2.1
67.05495	28.0
69.07057	63.0
71.08631	5.8
71.26813	6.1
71.35977	2.3
74.20548	2.1
77.51087	2.2
79.05471	14.3
81.03429	5.1
81.07047	100.0
83.08607	32.2
85.02884	10.8
85.06541	8.9
85.10153	2.7
88.41934	2.9
91.05479	7.1
93.07027	20.8
95.04985	3.6
95.08594	80.1
97.06522	3.9
97.10161	22.7
99.08099	8.4
105.07034	3.9
107.04922	2.5
107.08575	19.4
109.10148	57.2
111.04461	2.4
111.08062	5.7
111.11718	21.9
113.09669	4.3
119.08581	5.4
121.10131	14.7
123.04417	3.5
123.11700	39.3
125.13263	10.1
127.11195	4.8
127.90351	2.4
131.08572	3.7
135.11674	12.3
136.98993	2.6
137.13264	17.7
139.14813	3.3
146.46931	2.2
147.11809	2.9
149.13243	26.9
151.14810	9.7
153.12753	4.4
153.16415	2.1
157.10165	2.7
162.62465	2.4
163.06210	2.4
163.11226	3.1
163.14804	8.7
165.16368	9.3
167.14285	6.1
177.16376	4.5
179.17940	6.2
188.04897	2.5
193.19473	5.6
205.19643	2.8
221.22595	2.1
227.12871	2.3
249.25719	4.8
250.54967	2.4
275.27316	25.4
281.28345	8.8
293.28363	48.6
311.29495	19.9
329.30496	4.5
341.25650	2.6
376.38083	2.8
473.24823	2.4
491.26324	4.9
509.27576	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	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61374	1.6
52.81196	2.0
53.03926	4.1
55.01848	5.8
55.05500	29.9
57.03430	4.5
57.07071	14.7
57.81038	1.6
65.03905	3.4
67.05494	39.5
69.03419	4.0
69.07060	49.7
70.80333	5.6
71.04967	5.0
71.08619	5.9
72.11880	1.6
73.06577	2.0
75.38633	1.6
79.05479	27.4
81.03403	14.5
81.07047	97.8
83.04958	7.2
83.08614	33.5
85.02895	12.6
85.06545	13.7
85.10151	2.0
91.05462	22.7
93.07027	28.7
95.04958	14.4
95.08593	100.0
97.02872	4.8
97.06526	7.1
97.10152	24.5
99.08065	7.1
105.07013	14.4
107.04944	8.2
107.08572	23.4
108.04456	3.2
108.08077	12.8
109.02859	2.5
109.06490	9.1
109.10142	60.0
111.04446	2.5
111.08057	5.5
111.11704	19.1
113.09557	2.1
116.56172	2.4
117.06985	6.4
119.08557	9.3
121.06503	6.6
121.10139	16.1
123.04419	2.5
123.11680	28.2
125.09602	8.5
125.13248	8.1
127.03901	3.1
127.11170	4.6
129.06975	3.8
129.12715	3.4
131.04901	2.1
131.08539	8.0
133.06631	2.0
133.10115	8.1
135.08041	5.2
135.11658	13.3
137.05928	2.1
137.09555	2.7
137.13217	15.9
139.03876	7.5
139.14850	2.8
143.14290	4.0
145.06439	2.5
145.10080	5.9
147.07997	2.5
147.11646	3.4
149.09613	3.8
149.13225	13.9
150.09172	4.0
151.14784	30.6
153.12700	7.5
155.03384	5.2
157.10085	2.0
157.15854	3.4
159.07948	2.3
163.11157	7.1
163.14822	7.5
165.16382	13.2
168.06529	3.4
169.15814	4.3
171.13727	2.8
172.03918	5.6
173.09618	2.4
174.05479	2.5
177.16452	4.9
179.10597	2.7
179.17909	5.3
181.12206	2.6
183.17357	3.7
189.11156	3.2
190.04958	5.1
191.10606	4.0
193.12192	7.0
199.20514	2.3
204.06587	4.4
205.19518	3.0
209.11685	3.4
211.13202	3.9
219.13737	5.4
219.21220	2.6
223.20651	3.0
227.12764	4.5
237.22009	2.0
263.27359	2.2
267.15897	4.7
275.27365	7.7
281.12869	2.3
281.28339	6.7
283.15289	3.8
289.03299	6.3
290.03735	7.8
291.04065	10.4
291.08539	3.3
293.28381	22.9
295.22421	2.1
309.12247	5.1
311.29401	15.5
329.30444	2.7
347.10297	3.7
367.22656	10.1
385.23795	7.1
391.82819	2.7
441.26260	3.3
448.23911	2.0
459.27393	12.9
473.25403	2.3
477.28098	8.7
478.19687	13.2
491.26422	6.0
509.26978	18.8
510.27945	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	509.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.01874	10.6
55.05506	40.3
57.03432	10.5
57.07062	8.5
59.05001	2.5
65.03935	4.1
67.05497	57.8
69.03412	8.0
69.07062	37.9
70.40077	3.7
70.40478	4.2
71.01349	4.8
71.04976	10.0
71.08625	4.4
74.05126	1.5
79.05483	40.8
81.03413	46.6
81.07047	84.0
83.04972	21.9
83.08607	35.9
85.02893	23.8
85.06539	10.4
85.13281	1.9
91.05473	59.9
93.07034	42.4
95.04952	32.3
95.08599	57.7
97.02880	5.7
97.06519	7.4
97.10163	20.5
99.00794	3.6
99.04440	2.6
99.08086	4.4
103.05466	1.8
105.07020	41.5
107.04948	15.1
107.08588	27.1
109.02847	8.5
109.06505	12.6
109.10147	46.1
111.04428	5.4
111.08076	11.6
111.11673	9.3
113.05988	2.8
115.05517	1.7
117.07004	7.3
119.08566	26.8
121.06461	10.2
121.10139	21.7
123.04399	4.9
123.08069	5.8
123.11692	19.4
125.09592	8.3
125.13256	8.8
127.03894	5.2
129.07013	11.8
131.08575	13.7
133.06476	6.0
133.10107	42.1
134.10420	2.1
135.08023	6.1
135.11662	10.4
137.05969	3.5
137.09592	5.8
137.13228	16.2
139.03825	2.5
142.07758	4.1
143.08553	6.9
145.04971	2.6
145.06422	3.9
145.10136	8.5
147.08022	4.8
147.11678	11.3
148.10069	1.9
149.09612	7.2
149.13226	10.1
151.07504	3.0
151.11163	11.1
151.14851	4.8
153.06908	2.1
153.09125	3.1
153.12709	2.3
155.14258	3.4
157.10085	11.4
161.06004	2.1
161.09595	12.1
163.11223	8.1
163.14810	1.9
165.12775	2.7
165.16293	3.5
167.14297	6.8
169.12303	2.2
169.15851	3.5
171.08037	3.8
171.11737	2.2
173.09647	4.0
173.13342	1.7
175.11179	9.5
179.10715	8.0
185.09540	1.7
189.09149	5.8
189.11121	2.3
191.10718	4.2
193.12216	39.5
197.11649	2.5
199.13428	2.1
205.19475	1.9
207.10156	3.5
209.11703	9.0
211.13277	46.3
212.13686	2.4
215.12859	2.0
219.13863	4.6
219.23224	1.8
225.11151	9.6
227.12616	8.9
235.09732	2.4
235.13242	2.0
243.12292	2.3
249.14874	2.9
261.11249	2.0
267.15942	10.4
275.27350	7.1
281.13757	5.7
283.15262	3.4
293.28345	22.6
299.14862	4.9
311.29501	4.7
367.22623	3.5
381.20587	2.5
385.23679	5.5
441.26974	2.1
455.24020	4.2
459.27490	4.8
463.27066	2.3
473.25330	3.3
477.28320	3.8
483.27692	2.0
491.25848	13.9
509.27472	100.0
510.27887	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	509.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12280	0.8
53.03926	0.9
55.05502	1.6
57.03412	2.6
57.06844	0.7
57.07066	8.1
58.77139	0.8
67.05479	2.3
69.07056	11.3
69.45170	0.6
69.66228	0.9
69.66623	6.3
79.05470	2.2
81.07034	4.7
83.01309	3.5
83.08582	0.9
91.05464	5.5
93.07021	12.6
95.04940	1.2
95.08592	4.1
98.21475	1.5
105.07004	8.9
107.08553	5.4
109.06493	1.5
109.10135	2.7
112.02386	0.7
117.06993	1.9
119.08556	5.0
121.10117	6.2
123.11659	1.9
131.08525	3.2
133.10104	40.6
135.08020	3.6
135.11667	3.3
137.05954	1.8
139.03790	0.9
145.10089	2.3
147.11665	3.8
149.05966	1.1
149.09578	2.4
149.13203	1.5
153.05426	3.8
159.11668	1.4
161.13232	6.3
162.06670	1.3
163.07549	4.9
163.11166	0.9
165.05450	43.3
167.07011	28.1
173.09605	3.2
173.13132	1.0
175.14781	1.4
176.08292	2.2
177.05429	2.3
177.09070	12.0
181.08580	2.0
189.16438	0.8
191.07091	1.0
191.10585	5.8
201.07448	0.8
201.09016	4.5
204.07800	1.8
205.19516	4.1
215.17889	5.6
217.19475	43.7
219.10133	65.9
220.10515	1.1
221.11696	32.0
237.11176	100.0
238.11493	1.8
252.33682	0.8
289.25116	0.9
305.17490	8.5
343.56366	0.8
369.24191	18.3
423.29321	1.1
439.28281	1.5
441.29926	12.0
453.29987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03411	2.8
57.06852	0.7
57.07066	8.4
67.05474	2.1
67.35228	0.7
69.06702	1.0
69.07056	12.4
69.23668	0.8
70.89153	2.2
79.05479	1.5
81.07043	4.7
83.01316	4.2
85.06552	0.8
91.05446	1.7
93.07011	2.7
95.04990	0.9
95.08583	2.6
105.07007	2.9
107.08583	3.4
109.06480	1.9
109.10155	1.8
118.34753	0.7
119.08546	1.9
121.06496	0.9
121.10114	2.8
123.11649	1.0
128.82501	0.7
131.08492	1.3
133.10101	1.7
135.08057	4.1
135.11671	1.7
137.05978	2.6
139.03873	1.0
145.10124	3.6
147.11659	1.3
149.09616	1.9
149.13208	1.5
153.05428	3.7
155.80238	0.8
159.11668	1.3
161.05911	1.3
161.13284	1.9
162.06773	1.9
163.07567	4.4
163.11171	2.1
163.14807	1.0
165.05450	52.9
167.07014	11.8
173.09567	3.0
175.07463	0.9
176.08296	1.3
177.05435	2.5
177.09052	11.2
177.22002	0.8
179.06969	0.8
190.06139	1.2
191.06996	2.3
191.10556	5.0
201.09094	3.3
204.07780	1.4
205.08530	1.2
207.09972	1.3
217.19510	2.0
219.10136	72.4
221.11739	11.5
237.11180	100.0
238.11655	1.5
301.12631	0.7
305.17352	5.0
354.96878	0.9
369.24191	39.8
370.24448	2.0
423.28683	3.7
425.30334	1.0
434.15286	0.8
439.28671	0.8
441.29922	15.4
453.29810	5.3
509.35965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
57.07079	3.0
67.05496	1.2
69.06738	0.9
69.07064	10.5
71.05737	1.9
79.05492	0.9
81.07047	3.5
83.01350	2.9
83.01751	0.6
85.06523	1.1
91.05470	2.7
93.07035	9.2
95.08619	3.1
105.07009	8.7
107.08590	3.7
107.35478	0.6
109.06543	1.2
109.10146	4.1
117.07050	0.7
119.08586	4.8
121.06459	1.2
121.10158	4.3
122.39697	0.6
123.11662	2.1
127.03869	0.8
131.08559	1.8
133.10121	35.4
134.10387	0.7
135.08037	2.6
135.11694	3.1
137.05923	1.6
145.10110	1.7
147.11647	2.3
149.05994	1.0
149.09608	1.6
149.13185	0.8
149.39119	0.8
153.05443	2.9
161.13248	6.0
163.07533	2.4
165.05466	40.0
167.07036	18.4
173.09637	2.6
175.14841	0.8
176.08318	0.8
177.05464	7.2
177.09077	9.9
191.10672	3.2
201.09123	3.0
201.16428	0.9
204.07794	2.0
205.19455	2.6
215.17934	2.4
217.17368	1.2
217.19504	34.6
219.10159	53.6
220.10368	0.8
221.11720	28.5
224.06349	0.6
237.11197	100.0
238.11470	1.1
251.12857	0.9
305.17410	8.7
364.21655	0.7
369.24252	13.1
439.28448	0.8
441.29904	10.8
453.29938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73092	0.7
55.05483	1.3
55.84390	0.6
57.03421	1.8
57.07072	7.5
67.05487	2.6
69.07064	14.3
70.93501	1.9
77.45186	0.6
79.05490	1.5
81.07038	4.6
83.01323	4.5
85.06552	0.7
91.05456	2.3
93.07027	2.6
94.69606	0.6
95.08611	4.3
105.07001	3.5
107.08581	4.7
109.06473	1.2
109.10127	4.3
117.06976	1.1
119.08549	2.5
121.06477	0.8
121.10098	2.1
123.11694	1.8
131.08527	1.4
133.10094	2.7
135.08046	3.7
135.11641	2.6
137.05952	2.3
139.03925	0.7
143.08466	0.7
145.10083	2.5
146.16121	0.7
147.11693	1.4
149.05916	1.2
149.09599	2.3
149.13252	1.5
153.05440	3.1
155.08502	0.9
157.76836	0.6
159.11626	0.7
161.13193	2.1
162.06767	1.1
163.07503	4.5
163.11102	1.8
165.05464	38.5
167.07011	13.4
173.09630	2.6
176.08305	1.9
177.05415	1.4
177.09091	12.4
190.06200	1.1
191.07043	2.3
191.10635	8.3
201.09096	3.8
204.07771	1.8
205.19510	2.4
217.19534	4.3
219.10139	69.2
221.11710	10.9
237.11189	100.0
238.11505	1.7
251.12849	0.7
261.11310	1.0
305.17453	2.8
369.24185	21.7
423.28989	1.6
441.29962	10.6
453.30084	2.1
509.35635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.8
57.07075	32.7
57.07299	5.7
60.33659	5.8
62.35240	4.6
67.05478	12.8
69.07061	68.2
71.81904	6.6
71.82271	7.3
79.05462	15.9
81.07034	19.4
83.01342	7.0
83.04952	7.4
83.08620	6.2
91.05461	20.8
93.07034	45.3
95.04959	9.7
95.08584	21.4
103.15230	5.7
104.26723	5.2
105.07018	27.4
107.04935	11.0
107.08575	59.2
109.06473	6.1
109.10139	20.5
117.06974	6.5
119.08599	34.0
121.06492	7.6
121.10143	16.6
123.11658	8.9
131.08560	22.1
133.10120	20.3
135.07976	8.0
135.11667	100.0
143.08531	5.9
145.10091	22.7
147.11671	8.9
149.06001	5.3
153.05400	8.1
153.19846	5.4
157.10100	12.2
159.11670	27.3
163.07532	7.2
163.14856	5.4
165.05446	13.4
167.07005	6.5
167.71632	4.8
173.09526	6.4
173.13191	18.8
174.88776	5.2
177.09064	11.5
187.14812	7.3
189.09119	7.0
201.09099	7.6
201.16396	11.1
203.17879	8.6
205.08525	26.1
213.16539	5.1
215.17900	42.1
217.08606	12.8
219.10182	43.3
219.12042	8.1
223.09584	19.8
237.11130	44.4
243.17429	12.0
271.13214	13.9
273.14667	6.6
287.16214	5.6
289.14233	44.2
303.15817	5.4
339.19525	13.7
357.20477	8.7
423.25089	28.3
425.26700	5.8
435.25385	6.6
441.26300	94.4
491.31320	11.8
509.32114	25.7
509.39194	8.3
534.16064	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	509.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
55.05498	4.0
56.82998	1.8
57.03435	1.9
57.06837	2.2
57.07069	27.1
59.04990	2.3
67.05489	15.3
69.03416	3.6
69.07059	11.5
70.07627	10.6
71.04966	5.4
75.04455	3.5
79.05476	7.9
81.03396	2.4
81.06628	2.3
81.07040	14.5
83.01328	22.1
83.04964	4.5
83.08624	2.1
83.32681	2.3
85.02882	2.5
85.06529	6.4
91.05447	10.3
92.26634	1.7
93.07032	19.7
95.04951	10.3
95.08606	13.2
97.10149	2.3
105.07016	18.2
105.89980	2.2
107.04965	2.8
107.08582	13.0
109.06503	7.6
109.10129	7.5
111.04437	2.4
117.07018	2.8
119.04897	2.6
119.08578	13.9
121.06487	7.0
121.10129	100.0
122.10972	8.6
123.04407	2.0
123.08067	6.2
123.11703	2.6
125.06017	2.2
125.09612	2.4
127.07546	4.7
131.08534	4.7
133.06473	7.7
133.10100	17.3
135.08014	5.1
135.11678	10.9
137.05934	5.3
137.09607	4.4
139.03923	2.6
143.08514	3.1
145.10106	7.2
147.08047	3.8
147.11696	2.3
149.09608	5.0
151.03909	4.4
151.11241	2.2
153.10249	1.9
157.10095	4.1
159.07999	5.0
159.11662	3.9
161.05960	3.4
161.09587	5.6
163.07597	2.3
163.11159	6.9
165.05469	3.0
165.09116	2.4
171.06590	3.5
171.08051	7.2
171.11719	2.8
173.09615	12.0
175.07527	4.7
175.11215	3.9
177.05452	2.7
177.09062	2.3
179.07013	2.4
179.10704	2.5
183.11771	3.1
185.08044	7.2
185.09506	3.0
185.13158	2.3
187.07585	2.2
187.11133	2.5
189.09032	6.4
191.07048	2.2
191.10645	2.8
193.08531	2.3
195.06461	7.1
197.13251	3.5
199.11165	2.7
201.05508	2.0
201.09081	4.7
201.12700	2.8
203.06993	5.1
203.10692	2.5
205.08385	2.4
213.07487	3.3
214.65096	1.8
215.10611	5.0
215.14362	4.1
217.08527	3.0
217.12273	2.3
219.10138	6.1
221.08116	3.7
221.11591	4.3
223.11201	2.3
225.12851	2.3
227.09081	5.4
227.10942	2.5
227.12714	3.3
229.08606	14.4
229.12241	6.6
233.15457	2.1
237.11212	6.0
241.12126	5.5
243.13754	16.6
245.08014	5.0
245.11639	3.8
253.12253	4.1
259.13379	3.7
263.08826	2.0
269.11685	5.7
271.13245	50.0
271.20416	2.7
287.12796	10.9
289.14291	24.6
303.12750	3.4
303.15924	25.2
305.13898	2.8
311.19977	2.5
315.15552	2.4
319.15591	2.3
321.17117	4.1
331.19208	2.0
337.17783	2.2
339.19543	5.2
355.19016	6.1
357.16757	4.8
357.20587	4.2
371.22186	6.0
373.20093	25.5
375.18042	2.5
378.19550	2.1
389.19385	3.8
391.17450	50.1
392.17770	3.5
405.22720	19.5
409.18515	7.0
439.25006	1.9
441.20880	4.3
509.27380	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	509.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75935	4.8
55.01864	14.0
55.05507	64.5
57.03425	17.7
57.07047	7.7
65.03944	4.7
67.05492	77.7
69.03410	9.3
69.07064	31.7
70.48061	20.8
71.04982	14.9
79.05479	81.5
81.03403	31.5
81.07045	100.0
83.04956	19.8
83.08611	36.7
85.06530	10.7
90.90331	4.2
91.05473	47.7
93.07030	76.9
95.04955	60.3
95.08598	43.3
97.02887	5.3
97.06513	11.1
97.10164	50.6
99.08066	6.7
100.43282	4.6
103.05486	4.5
105.07030	36.7
107.04955	54.1
107.08588	36.1
109.06507	47.8
109.10149	32.6
111.04467	7.0
111.08040	10.3
111.11677	5.1
117.07002	20.4
119.08575	28.4
121.06499	32.2
121.10135	34.1
123.08053	14.9
123.11687	16.5
125.09583	39.6
129.06992	12.8
131.08556	25.2
131.90269	4.5
133.06436	5.5
133.10109	16.0
135.08029	20.8
135.11697	15.5
137.13260	4.9
139.11198	4.8
141.07065	6.9
143.08548	13.6
145.06473	21.1
145.10100	13.0
147.08054	12.6
147.11679	9.6
149.09590	15.5
149.13268	10.6
153.09015	5.2
159.08058	9.0
159.11716	7.1
161.05894	6.8
161.09586	9.1
163.11134	24.2
167.10686	9.4
169.10097	6.1
171.11678	6.0
173.09610	10.9
173.13249	7.5
175.11165	7.0
177.12790	6.4
181.12119	5.7
187.14749	5.3
189.11220	18.1
189.85623	4.7
193.12257	17.0
199.13295	16.4
204.63864	5.2
215.14429	7.0
219.13757	32.5
223.13213	8.6
227.12653	25.2
233.15373	15.2
237.14877	5.5
249.14795	5.4
260.93091	4.8
267.16043	11.5
273.14536	8.8
273.16995	17.3
281.28433	8.1
293.17526	23.0
293.28250	10.0
311.29169	10.9
339.23050	7.6
349.21582	20.0
367.22614	60.7
385.23703	74.1
403.24707	20.8
412.57986	5.3
417.26147	6.4
417.78146	5.6
437.43359	5.4
441.26328	14.6
459.27417	97.8
477.28406	67.8
491.30411	37.5
509.27747	16.7
509.30234	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	509.2742
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03940	8.5
55.01866	48.0
55.05503	45.8
57.03434	13.9
57.07069	14.2
58.91864	1.8
59.04980	6.7
61.02929	1.8
61.38601	1.5
62.26959	1.8
65.03936	3.7
67.05496	62.0
69.03427	9.1
69.07052	16.6
70.04191	1.8
70.86849	3.6
70.87221	1.8
71.01327	4.8
71.04974	7.0
73.02901	5.2
74.07184	1.6
79.05485	64.2
80.06269	2.8
81.03405	37.6
81.07046	56.6
82.04187	12.0
83.01329	11.8
83.04969	35.6
83.08608	24.4
84.05740	3.5
85.02895	10.0
85.06537	6.1
87.04446	1.9
91.05470	54.2
93.07037	58.3
94.04172	2.4
95.04950	34.3
95.08596	25.4
96.05712	2.0
97.02875	8.1
97.06507	20.6
97.10149	13.2
98.07304	12.4
99.04415	4.3
99.08066	3.4
103.05511	1.7
105.07017	33.2
106.07787	2.1
107.04942	21.6
107.08582	30.3
108.09348	1.7
109.02893	1.7
109.06504	19.6
109.10130	17.9
110.07356	2.0
111.04437	7.7
111.08070	10.3
113.05965	2.2
115.05412	2.6
117.05526	3.5
117.07001	19.1
119.08562	28.8
120.09408	1.7
121.06481	9.7
121.10123	23.2
123.04388	3.6
123.08050	24.6
123.11700	3.1
125.05967	3.8
125.09624	16.0
127.11213	4.2
128.06206	1.7
129.05421	2.0
129.06984	10.4
130.07719	2.9
131.08531	13.6
133.10110	14.3
134.10873	3.0
135.08029	7.5
135.11688	25.5
136.08879	2.4
137.05919	3.0
137.09610	9.7
139.03854	2.4
139.07455	1.8
143.08527	1.9
145.06354	2.1
145.10097	27.4
147.08060	8.0
147.11659	12.0
149.09592	6.1
151.07460	2.7
151.11159	4.7
153.09119	4.0
153.12691	7.9
155.08556	3.1
157.10150	5.8
158.05742	9.2
159.08090	1.7
161.09692	2.0
163.11169	44.6
164.11867	1.9
165.09093	2.2
165.12694	2.4
171.06540	14.8
171.07986	2.9
173.09543	9.7
175.11131	4.4
181.12193	10.2
184.07317	2.9
185.08075	2.6
189.09138	2.2
189.11206	2.0
190.04773	2.1
191.10652	9.2
193.12228	6.3
199.09668	2.2
199.13281	2.6
201.13179	2.1
201.14818	11.9
209.11722	20.7
210.12410	4.2
211.13316	3.3
213.11171	1.8
225.11139	2.9
226.12000	3.1
227.12776	16.1
227.25610	1.9
242.15179	2.3
255.15898	5.9
267.15903	2.5
281.17328	3.0
283.15347	14.6
295.15442	2.4
295.34787	1.9
311.22144	3.2
321.17050	2.7
337.16364	16.7
351.17889	3.3
365.19635	9.9
365.23630	2.5
379.20816	2.6
379.25168	4.0
380.25815	2.1
385.45477	1.8
407.24213	2.8
408.24841	5.5
437.25296	5.8
439.24530	2.1
463.26834	5.4
474.25632	2.2
474.96255	1.9
491.26239	7.9
492.27066	6.9
509.27399	100.0
510.27466	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	509.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24429	2.1
53.03936	2.4
53.42223	2.4
55.05499	9.4
55.60719	1.9
55.86373	2.0
57.03412	2.9
57.07065	48.8
61.81252	2.1
65.03931	3.0
67.05489	33.3
69.07085	2.6
69.71246	19.9
75.04462	2.4
79.05482	4.3
81.07029	7.9
83.01308	3.1
83.04961	13.1
83.08596	3.2
85.02896	16.5
85.06521	7.8
91.05471	15.9
93.07031	26.5
95.04952	4.9
95.08594	84.0
97.06522	5.6
105.07001	13.8
107.08591	7.5
109.06472	4.8
109.10130	3.4
111.08070	27.4
117.07011	3.8
119.08573	6.1
121.06479	4.9
121.10136	3.5
123.08050	100.0
129.06989	2.6
130.07742	3.6
131.08548	6.4
133.06537	2.4
133.10089	5.9
135.08009	3.9
137.05984	2.5
137.09373	2.4
139.07520	35.3
142.07732	3.4
145.10098	11.7
147.04474	2.6
147.08034	3.5
147.11662	8.3
148.55185	2.6
149.09587	3.1
157.10158	3.7
159.08023	2.5
159.11725	3.4
161.09613	4.5
163.07497	2.7
163.11189	4.3
171.08076	4.2
171.11684	4.0
173.09598	43.3
175.07578	5.7
175.11122	10.7
177.09152	4.8
179.10728	2.8
181.08632	4.2
187.11148	2.8
189.09048	5.6
191.10626	4.7
197.09644	2.6
201.09119	3.8
203.10442	3.4
209.07967	2.9
213.12729	2.9
215.10811	5.1
219.10117	10.2
229.12111	2.5
233.11569	2.6
237.11043	11.8
243.95285	2.2
255.13716	4.0
257.15350	6.0
263.12668	3.5
281.15198	4.2
283.13248	3.2
296.53082	2.2
297.14810	4.5
299.16422	9.1
301.14246	11.3
301.17755	4.9
315.15869	7.5
321.18494	5.3
327.19397	4.2
329.17487	6.5
337.17941	2.8
339.19690	5.6
341.17236	2.9
355.18942	6.3
355.41919	2.8
357.20505	18.0
367.18942	3.4
373.20212	6.2
375.22070	3.0
405.24075	8.2
406.65683	2.6
421.23541	5.3
423.25281	9.2
439.24915	3.1
457.25729	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	509.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30583	0.3
55.01856	1.1
71.15200	0.3
71.78369	0.5
85.02903	0.7
89.48647	0.3
90.33517	0.3
93.07014	0.3
97.02863	0.4
138.05458	0.7
148.03877	0.4
152.03413	0.4
160.03914	0.6
162.05458	0.7
178.04953	1.3
183.04315	0.3
184.07478	0.4
185.06985	0.7
187.05072	0.9
198.09192	0.5
199.08652	1.7
201.06561	1.5
201.10260	0.8
205.06129	0.3
210.09286	0.4
211.08661	0.7
211.12227	0.4
212.10826	0.5
213.06583	2.6
213.10187	1.4
218.08270	0.4
227.08072	2.7
227.11786	1.4
228.10248	0.5
229.09813	1.7
231.07584	2.4
237.10179	1.3
238.08582	0.8
239.08148	0.6
239.11821	0.7
241.09720	3.1
243.11440	0.7
245.09103	0.6
251.08154	0.4
255.07637	5.2
255.11198	2.8
257.09158	1.3
257.12830	0.9
259.07227	0.6
259.10626	0.7
265.01633	0.9
265.09732	2.3
267.07690	0.4
269.09207	4.1
273.03909	0.7
273.08646	3.5
273.11771	0.6
283.02582	1.0
283.10757	9.5
285.08530	0.4
285.12259	0.7
287.10257	1.9
293.09201	2.9
301.07040	0.4
301.11810	3.0
311.10229	22.6
312.10480	0.5
319.12823	1.2
329.11279	39.1
330.11584	1.3
346.09711	0.5
347.12335	100.0
348.12585	2.4
409.05420	0.4
427.06894	0.8
509.17841	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26487	1.7
53.19635	1.6
56.96263	2.1
56.96553	23.6
57.03411	2.1
61.02908	4.2
61.18543	1.8
69.03433	8.3
69.89586	10.7
73.02908	2.3
77.00907	1.6
77.68727	1.7
79.05484	1.7
79.64304	2.0
85.02894	19.7
86.09682	3.4
89.03890	9.3
97.02892	12.2
98.20795	3.3
98.97575	18.7
99.04482	2.8
99.08037	2.0
101.00880	6.7
107.04892	2.3
109.02855	2.6
110.97559	4.1
115.00723	2.7
116.98615	14.9
117.03308	9.1
117.04045	8.9
118.03709	2.2
119.01906	48.9
119.04919	2.4
124.99078	2.0
127.02367	2.4
127.03845	8.7
128.98573	8.7
131.01874	9.4
133.03419	2.0
134.99620	5.0
135.04243	16.7
137.02943	15.3
137.04573	4.4
141.03978	5.2
143.00127	6.5
143.01881	11.8
145.01759	3.3
145.02655	5.5
145.03441	13.5
145.04919	4.6
146.99629	8.4
147.04364	12.6
148.04739	2.2
152.05568	2.0
155.01863	7.9
157.03470	10.2
157.07101	5.4
158.99637	9.3
159.03331	5.3
159.05014	81.9
161.01289	11.3
161.02931	23.3
161.04643	5.8
163.03886	100.0
164.04227	14.0
165.00656	2.5
169.03348	2.1
170.05167	26.6
170.99640	3.3
171.04977	2.1
172.24634	2.0
172.95262	2.4
173.02936	18.7
174.99120	12.4
175.02733	3.1
175.04530	4.9
175.08165	9.0
177.00809	9.1
177.04347	13.4
177.06073	37.6
178.04814	2.3
182.06636	2.7
183.04930	3.5
185.01259	4.2
185.02910	23.2
187.02866	3.1
187.04474	4.8
189.00694	7.0
191.02242	2.7
191.03856	4.3
193.00188	19.8
195.05374	5.6
197.01328	1.8
197.02934	8.0
199.08092	8.4
201.00720	4.2
201.06036	27.3
203.02277	4.5
203.03976	55.3
213.00662	3.1
215.04063	3.2
217.09349	2.7
219.01790	14.9
221.03214	3.4
221.05058	21.6
226.05548	4.2
227.04019	10.3
231.01743	4.0
233.06982	2.2
234.12416	4.9
237.00691	3.8
237.02797	20.3
242.07257	17.7
242.57390	2.4
243.01868	2.3
243.07233	11.8
245.05077	68.4
249.02785	4.4
251.07784	31.0
251.58014	4.5
257.07700	2.1
261.02835	6.8
261.08179	26.6
263.06116	31.3
273.02808	5.2
279.03888	4.7
281.07047	3.8
287.06110	55.7
291.03876	3.2
303.09238	3.2
305.07159	2.6
317.09119	2.1
321.05136	2.0
321.08395	8.9
329.06952	5.4
331.03333	4.5
332.10309	9.2
335.06451	2.4
338.08801	3.0
339.09451	3.5
347.08353	26.0
365.07422	10.1
377.07254	2.4
381.10739	3.0
391.04111	2.0
409.04428	3.6
427.05313	3.4
509.05728	7.4
509.13339	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	509.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64559	0.4
55.01848	0.7
55.05475	1.4
57.03408	0.5
61.15649	0.3
63.02389	0.4
65.03904	0.4
67.05488	2.5
68.99764	0.3
69.03400	0.4
69.07027	1.5
71.02637	0.4
71.02995	0.9
71.04955	0.7
72.08099	1.0
77.03909	0.3
79.05482	2.1
81.03368	1.3
81.07044	2.4
83.04980	0.7
83.08594	0.9
85.02849	0.6
85.19159	0.3
91.05479	3.7
93.07039	3.2
95.04963	1.9
95.08562	1.5
97.06499	0.5
103.05471	1.9
105.03320	0.6
105.07035	2.4
107.04942	1.9
107.08537	1.4
109.06429	0.4
109.10143	1.6
111.04369	0.4
111.08058	0.3
117.03342	0.6
117.06976	0.8
118.04121	0.7
119.04903	0.6
119.08528	1.0
120.08065	1.2
121.06470	1.2
121.10088	1.0
123.04407	0.4
123.08028	0.7
123.11554	0.4
125.09615	0.6
129.06964	0.5
131.04922	3.3
131.08537	0.7
132.05653	1.2
133.06436	0.7
133.10072	1.3
135.00586	0.3
135.04436	0.6
135.08020	0.4
135.11636	0.8
136.07559	1.2
137.09622	0.4
140.04671	0.4
145.02786	0.4
145.10072	1.0
147.04350	0.6
147.11656	0.6
148.05223	0.4
149.05946	0.9
153.01704	0.4
157.10115	0.5
159.04388	1.0
160.05153	0.8
161.05927	2.1
163.03902	0.7
163.11186	1.2
165.05458	0.4
167.07002	1.3
173.09583	0.6
177.05408	1.2
179.06877	0.4
184.07208	0.5
187.03900	9.2
189.01851	0.4
191.07054	1.7
192.07794	1.5
193.04887	0.5
193.08589	2.6
193.12296	0.5
200.04622	0.6
209.11745	0.7
215.03372	11.8
216.04077	0.8
227.12708	0.9
228.04050	0.7
237.11267	0.4
243.02928	2.8
244.03656	0.6
255.02817	0.7
256.03668	0.6
271.02341	100.0
272.02817	2.1
273.03809	2.5
279.08618	0.4
283.15161	0.7
284.03171	0.8
285.03918	2.0
297.03824	0.7
299.01834	79.7
300.02567	9.4
301.03357	5.3
355.04413	1.5
479.09665	5.0
491.09702	30.1
492.09872	0.9
509.10785	24.5
509.27457	2.1
510.10873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62803	1.7
55.51115	1.9
56.60387	1.9
56.97355	1.6
61.65342	1.7
68.22665	1.9
69.72012	4.6
69.72424	10.4
70.57632	1.9
71.04991	4.8
99.04393	2.5
105.07005	7.9
107.08545	3.1
111.04424	6.7
121.06462	2.2
121.10085	2.2
131.08578	2.1
140.29752	1.7
140.92021	2.2
145.10124	11.1
149.05963	3.3
169.04915	3.0
169.08591	2.1
173.09590	3.5
191.10611	17.8
197.13283	2.1
201.09106	12.8
211.11124	2.3
225.12674	2.0
243.13765	66.4
261.14822	4.4
289.14261	7.8
307.15436	2.9
313.18002	22.0
315.19547	5.7
331.46875	2.1
335.12912	2.1
359.18475	80.4
372.11368	2.0
377.19550	100.0
378.19730	2.5
508.32336	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	508.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
57.07069	19.2
60.85333	2.2
67.05474	3.7
68.99796	2.2
69.03424	3.1
69.07058	6.3
71.04865	7.0
79.05482	3.8
81.07042	3.1
83.01329	13.3
84.51926	2.3
85.02886	4.6
85.06554	2.9
91.05433	2.2
93.07033	9.2
95.04958	3.6
95.08584	4.9
97.82285	2.0
105.07014	7.9
107.08586	8.7
109.10135	12.1
117.06968	3.2
119.08585	11.6
121.06520	3.2
121.10125	63.5
125.02356	6.5
129.06934	2.4
131.08556	3.4
133.10100	8.5
135.11688	9.8
137.13258	6.7
145.10109	8.2
151.03909	4.1
153.01833	7.3
159.11644	2.6
163.11159	27.1
167.10736	2.5
169.04950	4.7
173.09604	32.1
187.11064	2.9
189.40379	2.4
191.07008	3.7
191.10675	3.0
197.13249	7.8
201.09087	4.6
211.11214	2.7
215.10611	2.0
215.14288	11.2
225.12766	9.0
229.12250	7.7
243.13818	32.1
247.13260	2.7
253.12143	3.8
271.13263	19.9
289.14343	33.2
303.15887	51.5
321.16910	100.0
322.17172	2.9
343.22787	6.6
357.20691	3.5
361.23682	9.6
387.21555	2.9
405.22614	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.1
57.07066	23.5
60.58865	2.2
67.05489	5.1
69.03415	5.3
69.07061	8.9
69.67386	13.0
69.67805	9.3
74.98986	2.4
79.05496	4.2
81.07068	3.4
83.01344	16.0
85.02890	2.8
85.06513	3.2
91.05457	4.2
93.07028	13.3
95.08583	8.5
97.10150	2.4
105.07009	12.2
107.08556	13.8
109.10135	13.3
117.07034	3.2
119.08566	8.8
121.10131	73.6
125.02316	4.1
131.08546	3.2
133.10100	10.9
135.11703	13.6
137.13208	3.5
145.06418	2.7
145.10104	9.4
147.11617	4.1
151.03915	4.8
153.01801	9.3
157.10080	3.6
159.11740	5.0
163.11186	28.2
169.04965	3.4
173.09605	44.0
173.10941	4.2
177.05505	2.9
183.06538	3.0
191.10641	4.6
197.13242	8.8
199.13330	2.7
201.09108	7.1
201.12802	3.1
203.14227	2.7
213.06204	2.4
215.14285	9.1
225.12756	9.4
229.08580	7.8
229.12166	6.1
243.13780	35.6
253.12239	4.8
271.13281	18.2
285.14899	3.7
289.14297	35.1
303.15884	61.1
321.16937	100.0
325.66248	3.2
343.22699	3.5
357.20657	3.5
361.23682	15.1
387.21597	7.4
389.22910	4.3
405.22739	12.5
508.40677	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	508.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.2
57.07070	100.0
67.05505	11.9
68.35847	1.7
69.07060	14.4
71.05009	2.1
71.81895	1.5
71.82344	2.4
79.05493	10.4
81.06598	2.8
81.07050	38.8
83.01337	3.8
83.04989	2.7
83.08613	3.0
85.06531	9.7
86.09689	24.7
89.67329	1.4
91.05463	3.2
93.07025	10.8
95.04940	4.5
95.08590	31.2
97.06525	1.9
97.10148	2.8
105.07009	9.3
107.08582	12.1
109.06498	2.0
109.10146	9.0
117.07000	2.2
119.08601	8.1
121.10123	21.5
123.04427	2.3
123.08026	4.0
123.11716	5.2
127.07547	4.2
128.30733	1.6
131.08522	3.3
133.10126	9.0
135.08070	8.8
135.11652	13.3
137.05940	1.9
137.09625	1.9
137.13248	7.1
143.08511	2.8
145.10094	3.8
147.08076	2.6
147.11690	6.3
149.09581	3.4
151.11205	3.3
153.01854	2.1
155.03430	1.5
155.08582	1.7
157.10149	4.0
159.11685	6.7
161.09660	2.8
161.13185	1.6
163.07578	7.2
163.11159	8.0
165.09106	9.9
171.11656	3.0
173.09596	8.2
173.13350	1.8
175.11177	3.7
177.12779	2.3
179.10637	4.2
181.08614	3.6
183.10265	2.0
183.11739	2.7
189.12659	1.6
191.10678	3.5
191.14351	2.5
197.13264	3.1
199.14828	3.8
201.16563	1.6
203.10645	2.7
203.14348	2.8
205.12241	6.3
206.16736	1.9
207.17374	2.1
215.14334	3.0
215.17928	5.7
217.12227	2.3
219.13795	2.0
225.16441	2.2
229.12236	2.1
233.15298	3.9
237.14879	4.5
241.19653	2.0
243.13774	7.6
245.15395	2.9
251.16341	2.7
253.19527	2.6
255.21060	4.5
257.22601	5.5
271.13382	2.5
273.21960	1.7
283.20630	2.5
289.14392	7.5
290.60297	1.7
299.19904	2.0
301.21576	18.4
303.15915	12.7
305.14047	2.0
311.19937	2.0
319.15259	2.9
319.22830	4.7
321.16867	17.6
323.14771	3.5
333.20694	3.7
337.16431	5.1
347.22195	5.0
357.20514	5.0
361.24014	2.3
377.19531	6.5
395.25742	3.5
397.27338	4.2
403.21588	2.5
405.23395	1.9
413.26846	4.1
415.28351	37.2
423.25122	7.1
441.26315	28.3
459.27689	2.5
508.40720	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	508.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
57.03431	0.2
59.04976	0.2
61.02907	0.3
69.03407	0.8
69.07055	0.8
70.04828	0.3
70.05229	0.9
70.81144	0.1
71.04994	0.4
73.02880	0.2
78.04703	1.5
79.05464	0.5
81.03403	1.2
81.07034	0.2
82.76302	0.2
85.02894	2.9
85.06533	0.3
95.04920	0.4
96.05748	0.2
97.02880	2.7
97.06535	0.4
99.04445	2.9
103.03938	4.0
105.03367	0.2
106.04148	0.6
107.04909	0.3
108.04494	0.4
109.02877	1.4
119.26321	0.2
123.04415	3.8
123.05270	0.3
124.05219	1.6
127.03899	4.6
129.09102	0.8
134.03609	0.3
135.04410	0.2
137.05907	0.2
145.04921	1.9
147.04364	0.2
151.03860	0.7
152.04674	1.2
163.06024	1.0
167.07019	100.0
168.07393	0.9
169.04852	0.2
181.66740	0.2
186.35587	0.2
255.57610	0.2
271.08063	0.4
289.09207	0.2
311.14923	0.3
314.65848	0.2
385.56769	0.2
430.04816	0.2
432.81015	0.2
439.14685	0.2
508.17679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.5
55.01859	5.3
55.05242	1.6
55.05501	24.0
57.03202	1.3
57.03429	15.2
57.07055	5.8
61.02908	6.0
61.56690	1.3
63.95614	1.4
64.03870	1.3
65.03947	1.4
67.05494	33.9
68.99757	1.9
69.03048	2.1
69.03419	36.2
69.07053	31.9
70.01642	2.4
70.02054	5.9
71.01318	1.3
71.04984	7.5
71.08627	1.3
73.02888	5.8
75.20721	1.3
79.05485	15.4
81.03414	14.8
81.07045	45.9
83.04952	5.8
83.08606	22.3
85.02892	70.6
85.06522	3.3
87.04436	4.5
91.03916	2.0
91.05464	12.7
93.07032	18.7
95.04938	3.6
95.08588	45.0
97.02875	27.4
97.06481	6.9
97.10150	20.0
98.20709	1.5
99.04440	6.9
99.08078	2.9
103.03915	3.0
105.01846	1.7
105.07005	11.3
107.04923	2.8
107.08572	13.3
109.02853	15.4
109.06473	2.9
109.10140	19.5
111.04398	2.1
111.08053	3.7
111.11693	8.6
113.09616	1.8
115.03885	2.7
117.06999	1.6
118.16983	1.6
119.08566	12.7
121.06435	1.5
121.10131	16.8
123.04382	2.5
123.08000	1.5
123.11679	8.7
125.09631	3.3
125.13278	3.9
127.03900	22.1
127.11145	1.5
129.05441	2.2
131.08505	1.9
133.10094	9.2
135.11665	16.1
137.06006	1.5
137.09586	4.0
137.13223	6.0
139.03905	2.7
139.11151	3.9
145.04915	8.3
146.02356	1.2
147.02760	2.0
147.11650	6.6
149.13243	5.5
151.11192	3.2
151.14703	1.8
153.12715	3.9
155.10550	1.6
157.04984	1.5
159.02844	1.6
161.05968	1.6
161.09621	1.5
161.13217	6.2
163.14795	1.5
165.09093	3.4
165.12704	4.3
175.14751	2.6
179.14276	3.1
183.13872	1.4
193.01869	1.4
193.19427	1.7
195.21165	1.3
201.07475	2.3
217.19490	15.8
229.04764	1.8
235.20537	21.2
244.03722	6.8
245.04376	2.3
253.04640	1.9
253.21625	10.7
257.04422	5.8
259.03244	3.0
259.05988	43.9
260.06332	3.4
261.03931	4.2
266.05624	3.0
269.04346	5.1
271.22531	3.1
273.03925	8.5
275.19971	1.9
281.08047	15.6
285.03970	14.3
285.07068	2.8
289.03394	37.0
290.03705	2.2
291.23154	3.1
291.26703	2.0
294.05255	2.2
297.03958	1.8
309.07568	22.7
309.24155	12.2
309.27414	3.3
310.07797	3.2
312.06201	3.8
327.08582	100.0
327.25241	60.7
328.08875	10.6
328.25555	3.2
343.23050	1.6
345.09674	24.4
345.26328	35.1
346.09781	3.0
387.18442	1.3
471.23297	1.7
471.29321	3.3
489.13919	4.4
489.24542	2.2
507.15558	4.6
507.31866	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60968	1.2
53.03938	8.0
55.01863	8.7
55.05501	28.6
57.03430	15.4
57.07066	6.0
58.19543	1.5
59.04973	3.7
63.74762	1.6
65.03926	3.1
67.05495	52.2
69.03415	2.7
69.07068	12.1
71.01334	2.1
71.04974	5.4
73.06529	1.6
77.03909	1.5
79.05484	73.0
81.03407	18.5
81.07043	48.7
83.01320	10.6
83.04971	23.7
83.08607	14.0
85.02887	4.5
85.06525	3.5
91.05469	62.5
93.07033	68.2
95.04405	2.3
95.04961	26.3
95.08590	27.8
97.02879	1.7
97.06499	8.6
97.10140	4.1
99.04459	3.3
105.07017	41.5
107.04926	13.7
107.08580	21.8
109.06499	11.1
109.10135	6.6
111.04420	5.4
111.08074	4.2
117.06993	13.9
119.08558	30.4
121.06480	6.7
121.10119	13.7
123.04412	2.1
123.08067	12.8
125.05968	3.0
125.09636	1.9
128.06224	2.3
129.06992	15.6
130.07713	3.2
131.08577	7.5
133.10149	10.3
135.08052	3.9
135.11690	11.4
137.09525	3.0
139.07506	2.3
143.08557	9.9
145.06500	2.4
145.10104	21.6
147.08047	4.7
147.11667	31.0
149.09634	2.9
151.03929	2.5
153.12733	4.3
159.11737	2.6
161.09599	5.1
161.13248	8.2
163.11165	23.8
165.09103	1.8
171.11673	23.4
173.09566	5.3
175.11293	2.0
181.12216	4.2
189.12659	8.1
191.10693	5.5
193.12251	2.0
194.29694	1.7
207.13777	30.7
209.11699	9.3
217.08498	1.5
223.13266	2.3
225.14977	3.1
227.12723	8.2
281.17450	42.6
283.12253	3.5
283.15384	68.4
355.19223	1.6
383.18402	1.7
385.73074	1.5
471.27487	5.8
489.28448	100.0
490.28592	2.6
507.29495	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	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.7
52.15603	2.1
53.03933	11.0
55.01868	19.9
55.05507	37.2
57.03422	13.1
57.07061	11.3
65.03928	5.9
67.05499	92.9
69.03419	4.9
69.07061	19.1
70.93753	6.6
71.01376	2.9
71.04982	4.1
73.02917	2.7
79.05485	100.0
80.06254	3.1
81.03411	31.6
81.07051	63.5
82.04176	8.5
83.04973	25.8
83.08607	13.7
85.02899	3.9
85.06527	6.0
91.05470	84.0
91.06039	5.0
93.07037	96.7
95.04956	44.5
95.08597	43.3
97.02881	5.3
97.06523	13.7
97.10146	10.3
98.07301	5.7
102.04693	2.6
103.05461	3.5
105.07020	60.8
107.04946	21.3
107.08582	33.0
109.06499	11.7
109.10142	18.2
111.04417	8.4
111.08058	5.1
115.05428	2.8
117.07005	18.8
119.04971	2.8
119.08582	41.5
121.06513	9.8
121.10121	15.8
123.04418	4.6
123.08081	14.2
125.09644	11.2
127.11228	3.7
128.06177	3.0
129.07008	25.0
130.04141	3.2
131.04976	3.1
131.08511	10.8
133.10101	20.0
135.08035	7.0
135.11661	14.8
137.09601	4.1
139.11209	2.7
139.46135	2.0
141.06960	2.1
143.08531	9.7
145.06500	3.2
145.10097	23.3
147.04385	3.9
147.08022	7.2
147.11676	43.4
149.09517	2.2
151.07521	3.2
153.01808	6.3
153.12747	3.5
155.08554	2.7
156.09341	2.6
157.10092	6.4
158.05682	2.7
159.11696	4.5
161.09641	5.9
161.13287	16.3
162.06773	3.2
163.03903	3.6
163.11159	17.3
169.10078	2.7
171.06554	5.3
171.11678	33.2
173.09584	4.6
173.13222	3.1
175.11194	2.4
177.12723	3.1
181.12227	5.9
184.07088	2.0
189.12749	15.7
191.10762	3.9
192.04967	2.4
193.12236	2.2
199.13181	2.3
203.03319	2.6
203.82524	2.1
206.13103	2.1
207.13788	34.9
209.11713	5.9
223.13200	2.1
225.14806	4.5
227.12697	13.8
229.04900	2.4
241.04912	2.4
242.05652	2.9
257.04395	20.2
258.05176	8.2
281.17450	33.4
283.15393	23.8
286.04691	6.8
287.05582	4.0
335.18314	4.2
363.21445	3.6
405.26407	3.0
406.27151	3.8
415.07974	6.4
435.27509	14.1
447.10623	3.9
489.22696	2.4
489.28497	31.0
490.29099	3.9
507.12729	28.7
507.29437	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43674	3.8
54.18744	4.5
55.05506	7.0
57.07065	81.2
67.05498	16.2
69.03441	4.1
69.07060	31.2
71.79778	8.4
76.34642	4.0
79.05501	7.1
81.07053	20.5
83.01332	10.7
85.06538	9.7
87.60796	4.5
91.05482	12.1
93.07027	25.2
95.08591	17.1
105.07008	35.2
107.08582	23.2
109.06504	9.7
109.10145	13.0
114.74228	5.3
119.08592	18.8
121.06505	16.4
121.10165	12.1
131.08575	10.2
133.10136	11.1
135.08018	9.6
135.11646	6.8
137.05959	6.8
137.09596	8.5
138.73198	5.0
143.08566	7.3
145.10063	27.2
147.11656	12.3
149.09612	7.8
153.05478	17.6
153.09100	6.5
157.04951	4.3
157.10072	12.4
159.08032	6.4
159.11673	6.3
161.09612	6.5
162.06726	7.4
163.07518	12.9
163.11162	5.7
165.05452	87.5
173.09618	35.6
175.11197	26.4
177.09059	21.6
183.11581	5.3
187.07491	10.4
189.09151	5.7
191.10616	8.6
195.00204	8.3
195.11638	6.2
197.13274	9.2
205.08594	96.0
213.12746	13.6
221.11661	37.9
223.09598	100.0
223.11565	7.4
237.11172	6.9
241.12265	6.6
245.11656	31.8
249.14816	6.9
253.19243	5.5
255.13805	9.6
269.12015	6.7
273.14825	18.2
281.19122	8.6
285.14844	11.6
291.15759	9.7
297.18362	7.2
301.14346	19.4
301.17670	4.7
303.15732	23.6
309.18298	10.4
319.15344	5.5
325.17792	7.1
337.17438	5.2
345.16870	8.1
355.18933	9.6
357.20615	21.2
367.18826	4.6
385.20065	19.6
403.21051	24.0
421.22134	21.5
507.20285	6.2
507.32913	21.6
507.40173	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	507.1489
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
55.05508	0.5
57.03399	0.8
57.49786	0.5
59.04996	3.6
61.02903	0.8
69.03414	3.2
69.07035	0.6
69.73804	4.4
70.06557	0.9
73.69199	0.5
81.03381	1.5
85.02894	6.5
86.09691	0.6
87.04427	1.0
91.03905	0.5
91.05466	0.5
93.06999	0.8
97.02847	2.1
98.21339	1.1
98.23146	0.5
99.04436	0.7
105.06955	0.8
109.02818	0.7
127.03878	1.0
131.08597	0.7
132.33479	0.6
137.05945	0.5
145.04878	1.3
151.03909	0.6
153.75766	0.5
171.04338	0.7
177.05458	0.8
184.13306	0.9
199.03868	0.8
203.03246	0.7
205.04715	0.5
205.08643	0.6
206.09042	0.8
213.05394	0.9
217.05090	0.6
221.04446	1.1
223.09531	1.5
224.09955	2.1
227.03342	3.3
229.04858	1.4
240.03896	0.6
241.04942	5.2
244.03716	0.9
245.04431	40.2
246.04700	0.9
255.02995	0.6
257.04434	14.4
258.05185	1.9
259.05963	2.0
266.05798	2.4
267.06448	0.8
269.04428	28.1
270.04764	0.7
271.02335	14.7
273.03906	100.0
274.04236	1.6
281.08072	2.2
285.03925	9.1
285.07523	19.6
287.05487	19.0
299.09161	2.7
303.05035	0.7
309.07489	3.7
327.08585	19.0
327.12473	1.0
345.09659	54.0
346.10178	1.0
403.97385	0.6
489.25504	0.6
507.14938	60.9
508.15353	1.9
515.85315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1492
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
53.03919	0.4
55.01860	0.4
55.05480	0.5
57.03407	0.6
57.07048	0.3
61.02898	0.5
67.05492	0.9
69.03420	1.5
69.07049	0.9
70.83139	0.6
71.04971	0.4
79.05465	1.2
81.03410	1.4
81.07049	1.1
83.04935	0.3
83.08600	0.4
85.02895	3.7
85.06551	0.2
91.05470	1.2
93.07022	0.9
95.04914	0.4
95.08574	0.6
97.02876	1.5
105.07030	0.8
107.04919	0.3
107.08574	0.5
109.02827	0.3
109.06491	0.2
109.10150	0.2
111.04400	0.5
117.06987	0.2
119.08556	0.6
121.06475	0.3
121.10123	0.3
123.04383	0.3
123.08045	0.2
125.09673	0.2
127.03885	0.8
129.06989	0.3
131.08521	0.5
133.10118	0.5
134.00874	0.2
135.04395	0.2
135.08026	0.2
137.09607	0.2
143.08588	0.2
145.04909	0.7
145.10059	0.3
147.11664	0.4
149.05977	0.2
149.09564	0.2
151.03796	0.2
153.01781	0.4
159.11740	0.2
161.06015	0.2
161.13191	0.2
173.09525	0.2
177.05452	0.2
187.03827	0.6
193.12291	0.3
205.04912	0.4
207.13710	0.2
209.11786	1.1
215.03349	0.5
223.13206	0.2
227.12718	0.5
233.04373	0.9
238.07896	0.2
261.03912	11.9
277.03357	1.0
283.15341	0.4
289.03378	100.0
290.03885	1.0
311.44992	0.2
345.09637	33.4
346.09897	0.5
357.09933	0.2
359.08887	0.2
383.22076	0.2
387.10129	0.3
403.08246	0.5
403.76425	0.2
411.10947	0.3
415.07770	0.2
432.08780	0.8
432.13611	0.2
447.10706	1.2
451.08630	3.4
461.28961	0.2
489.28351	0.2
507.13599	1.3
507.29474	1.6
520.39520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1493
Annotation	Candidol 3-glucoside
Peak:m/z	Relative Intensity
51.63228	0.1
53.03920	0.2
54.03163	0.1
55.01845	0.2
55.05483	0.2
57.03389	0.4
58.44824	0.1
61.02919	0.6
67.05471	0.2
69.03424	1.4
69.07021	0.3
70.71078	0.4
70.71416	0.1
71.04950	0.2
73.02881	0.2
81.03412	0.8
81.06996	0.4
83.01299	0.1
83.08586	0.2
84.41442	0.1
85.02894	4.0
87.04418	0.3
91.03904	0.1
91.05464	0.2
93.06990	0.3
95.04913	0.1
95.08570	0.3
96.21423	0.1
97.02321	0.1
97.02877	1.5
98.21410	0.1
99.04415	0.2
100.07578	0.1
100.11214	0.2
105.06970	0.2
107.01277	0.2
107.08562	0.2
109.02831	0.4
109.10156	0.2
115.05481	0.1
121.02830	0.1
121.10101	0.2
123.04396	0.2
123.11637	0.4
127.03892	0.7
131.08487	0.1
133.10072	0.2
137.05939	0.2
139.03833	0.4
145.04906	0.4
151.03879	0.1
151.17976	0.1
153.01826	0.1
161.05928	0.1
165.09053	0.3
177.05386	0.3
182.15344	0.2
184.00447	0.1
187.03844	0.3
191.03249	0.1
205.04947	0.5
215.03311	0.5
233.04399	0.7
247.02306	0.2
251.00775	0.1
259.05975	0.5
261.03906	11.8
273.25650	0.2
273.83896	0.1
277.03302	0.3
289.03372	100.0
290.03748	1.4
291.26709	0.2
303.04819	0.2
345.09637	29.0
346.10037	0.4
451.08682	0.4
507.14935	12.8
507.39087	0.3
508.15100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1495
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
55.01867	0.3
55.05496	0.7
60.29841	0.2
61.02887	0.4
67.05497	0.5
68.99796	0.5
69.03409	0.7
71.01377	0.5
71.01722	0.5
81.03402	0.5
81.07032	0.4
85.02889	3.1
91.05488	0.5
93.07037	0.5
95.08587	0.9
97.02866	0.8
97.30888	0.3
100.46971	0.3
105.07025	0.3
109.10123	0.7
119.08585	0.5
121.10114	0.5
123.04438	0.4
127.03905	0.6
129.06970	0.5
137.09596	0.7
145.04932	0.7
145.10155	0.4
150.71811	0.3
153.01799	0.5
165.09100	4.9
183.07924	0.4
197.06104	0.4
199.03754	0.3
211.07465	0.4
215.03528	0.4
216.04234	0.5
217.04926	0.4
223.09406	0.4
228.04134	0.5
229.04909	1.0
235.07492	1.0
237.05400	0.3
239.03432	0.4
244.03656	1.9
245.04262	1.4
253.05005	0.5
253.08580	1.2
256.03543	0.5
257.04437	3.5
258.05075	0.3
259.05997	10.7
260.03149	0.4
261.03922	0.5
263.07047	0.9
266.05728	3.0
269.04419	5.2
271.02435	0.4
271.09518	0.3
273.03888	5.0
281.08032	13.6
285.03906	13.2
285.07260	1.0
289.03452	0.7
294.05176	2.8
295.06061	0.3
297.03922	1.8
299.05438	1.0
299.08731	0.5
309.07523	23.7
310.08002	0.6
311.05441	1.2
312.06274	2.6
327.08575	100.0
328.09103	1.7
330.63272	0.4
345.09573	6.8
346.09805	0.4
358.13062	0.3
402.91336	0.3
415.60812	0.3
507.15646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1492
Annotation	Mirabijalone C
Peak:m/z	Relative Intensity
55.01840	0.3
55.05503	0.4
57.07072	0.4
67.05482	0.8
68.99796	0.2
69.03419	0.6
69.07044	1.3
71.03558	0.3
71.03925	0.8
71.04961	0.2
76.76774	0.3
79.05469	0.6
81.03387	0.3
81.07056	2.3
83.08602	0.6
84.08157	0.2
85.02890	1.1
85.06549	0.3
87.63940	0.2
91.05457	0.4
93.07018	0.9
95.04919	0.5
95.08601	2.0
97.02884	0.4
97.06499	0.3
97.10141	0.3
100.03892	0.2
105.07047	0.4
107.04925	0.3
107.08552	1.1
109.10118	0.8
111.08058	0.5
111.11727	0.3
119.08580	0.5
121.10065	0.4
123.11668	0.8
127.03932	0.4
129.06975	0.3
133.10114	0.4
135.11693	0.6
137.13214	1.0
139.11118	0.2
147.11624	0.3
149.13229	0.3
153.01784	0.4
153.12753	0.3
155.14246	0.3
165.12801	0.4
173.06024	0.3
177.16275	0.3
183.08070	0.4
185.09581	0.3
197.06015	0.4
201.05501	0.4
211.07579	0.5
216.04036	0.3
217.04967	0.4
217.19466	0.5
223.02429	0.4
229.04958	1.3
235.07443	1.0
235.20566	0.3
237.09099	0.3
238.06297	0.3
239.03418	0.5
239.06987	0.3
241.04871	0.4
243.02925	0.2
245.04416	1.3
253.08490	0.9
256.03616	0.4
257.04349	3.7
259.06076	0.4
260.03198	0.5
261.03867	0.5
263.06946	1.0
265.05032	0.3
266.05682	3.5
267.06393	0.3
269.04407	5.2
270.05069	0.3
271.06113	0.4
273.03867	4.4
279.26718	0.3
280.07300	0.5
281.08057	15.7
284.03348	0.3
285.03906	14.0
285.07288	0.8
286.04434	0.3
289.03281	1.1
291.06491	0.6
291.26678	0.5
294.05185	3.0
297.03894	2.2
298.04733	0.6
299.05423	0.8
299.08951	0.7
309.07526	23.0
309.27844	0.4
310.07822	0.3
311.05341	1.3
312.06238	2.4
327.08575	100.0
328.08963	1.2
345.09637	5.4
345.13388	0.5
345.16562	0.3
345.26312	0.4
371.18878	0.2
489.13824	3.2
507.15015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1494
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
53.03925	0.9
53.99269	0.7
55.01855	1.0
55.05493	1.8
57.03417	1.3
61.02905	0.9
67.05470	1.2
68.99772	0.9
69.03426	3.5
69.07048	1.5
70.06568	1.3
71.04991	0.8
71.79294	0.9
73.69413	0.7
75.37336	0.6
79.05460	2.0
79.98110	0.8
81.03391	0.8
81.07053	5.9
83.04965	0.8
83.08588	1.0
85.02888	5.5
85.06525	1.5
87.04454	0.8
91.05450	2.1
93.07028	2.5
95.04911	0.7
95.08620	3.6
97.02906	1.1
105.07004	1.5
107.08567	1.1
109.10148	1.4
111.08086	0.9
119.08527	0.9
121.10085	1.5
123.04372	1.3
123.11633	1.1
127.03876	1.3
131.04880	0.9
133.10109	1.3
135.11655	1.2
137.05923	1.4
137.13182	1.1
139.03900	0.9
141.17076	0.8
143.08519	0.8
145.10085	1.1
145.98676	0.7
147.08067	0.8
147.11635	0.8
151.03864	1.5
161.05977	0.9
163.03809	1.2
165.05458	0.8
165.09091	0.8
175.07513	1.1
181.04913	1.3
229.04971	2.4
233.08012	0.9
256.03650	1.1
257.04385	10.8
259.06055	2.7
261.03894	10.0
266.05731	1.2
269.04395	4.0
273.03860	2.6
273.25839	0.8
281.08038	4.9
285.03888	48.7
286.04251	1.2
289.03372	64.1
291.26776	1.9
294.05249	1.3
297.03864	1.2
309.07541	8.0
311.05594	1.6
312.06149	2.1
323.46143	0.8
327.08569	85.8
328.09042	1.3
345.09625	100.0
346.10043	1.4
355.10919	0.7
372.95874	0.7
507.14859	12.0
507.26199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1129
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.23547	0.2
53.03930	0.9
54.75143	0.3
55.01864	0.6
57.03432	1.2
60.56747	0.3
60.57247	0.2
61.02916	1.9
65.03943	0.3
68.99776	0.6
69.03422	4.9
69.07054	0.3
71.04973	0.6
71.81320	0.3
71.81730	0.3
73.02903	2.9
81.03402	4.2
85.02388	0.5
85.02896	9.0
86.09698	0.4
87.04447	0.6
91.05466	0.5
95.04963	0.4
95.08597	0.2
95.42625	0.3
96.53276	0.3
97.02885	2.9
99.00804	0.4
99.04453	1.7
103.03922	0.7
109.02877	2.8
111.00781	0.8
115.03941	0.6
121.02821	0.7
123.04375	0.8
127.03902	7.6
131.04941	0.3
133.04948	1.0
135.04369	0.2
137.02332	2.9
137.05946	0.8
139.03835	0.3
143.92636	0.3
145.04938	2.9
149.02354	0.5
153.01814	4.1
161.05937	0.5
163.03903	0.5
165.01805	2.1
173.05893	0.4
181.04881	0.3
183.02911	0.8
187.04074	0.4
187.05998	4.5
201.05432	1.4
205.05167	0.5
205.07062	1.9
213.05490	0.6
214.19548	0.3
223.91086	0.2
229.04932	4.4
239.03278	0.4
247.05939	0.4
257.01889	0.5
257.04379	2.7
259.05823	0.4
262.79254	0.3
273.03879	1.0
274.04608	0.7
281.07834	0.4
281.10483	0.5
285.03922	1.6
303.04959	100.0
304.05167	1.9
309.07547	1.0
327.08554	2.5
345.05820	0.3
345.09683	4.1
489.25046	0.4
507.15112	0.8
507.25516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01872	1.7
55.05495	1.4
57.03430	2.6
57.07053	0.7
61.02904	1.4
67.05489	1.8
68.99783	1.2
69.03419	11.1
69.07059	2.2
69.62199	2.7
71.01324	0.3
71.04986	1.7
73.02920	1.7
76.13332	0.3
79.05477	1.5
81.03404	9.0
81.07037	3.7
83.04960	0.5
83.08606	1.2
85.02894	20.2
87.00825	5.1
87.04450	0.5
91.03931	0.5
91.05459	1.2
93.07043	2.0
95.04935	0.5
95.08610	3.1
97.02875	6.2
97.06529	0.8
97.10164	0.6
99.04449	3.6
101.02335	0.4
103.03907	1.0
105.01863	3.4
105.06985	0.8
107.04934	0.4
107.08568	1.1
109.02866	9.1
109.06523	0.4
109.10142	1.1
111.11703	0.8
115.03924	0.5
117.01841	0.4
119.08559	0.7
121.02842	1.6
121.10111	1.6
123.04366	0.4
123.11682	0.9
127.03899	14.9
129.01820	1.1
133.10100	0.9
135.11664	1.2
137.02301	0.6
137.05992	0.7
137.13249	0.4
143.08524	0.3
145.04945	3.7
147.02940	0.7
149.13194	0.6
155.14325	0.6
159.02875	4.6
160.05170	0.4
163.14815	0.3
167.07109	0.4
171.13908	0.3
181.05026	0.5
188.04684	0.8
189.03981	0.4
213.03877	0.9
215.03423	0.5
216.04146	0.8
217.19524	0.7
218.12964	0.3
221.26511	0.4
227.03351	3.2
228.04112	0.8
229.04926	0.4
231.04901	1.8
235.20532	0.9
241.04872	0.5
243.00745	0.4
243.02782	1.7
244.03642	20.8
245.04199	0.7
253.21619	0.8
257.04385	1.1
259.05994	100.0
260.06360	1.8
261.03885	1.4
269.04474	1.4
271.05893	0.5
273.03897	2.2
281.07944	2.6
283.05890	0.7
285.03860	2.3
285.07108	0.6
289.03406	8.3
291.26724	0.5
294.05215	0.5
297.03735	0.6
301.07074	2.8
309.07489	3.9
309.24377	0.8
312.06171	0.5
327.08588	15.6
327.25327	3.0
345.09634	6.2
345.26410	1.8
367.07892	0.4
371.18451	0.4
421.11264	1.0
472.09995	0.4
489.13724	2.7
489.24469	0.7
507.15710	1.7
507.25351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1135
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03934	0.5
54.95598	0.2
55.01865	0.6
56.25558	0.2
57.03421	0.9
61.02922	1.6
61.85450	0.2
67.05481	0.4
68.40397	0.2
68.99777	0.5
69.03422	4.2
70.06570	0.4
71.01315	0.3
71.04978	0.7
71.77388	0.3
71.77774	0.4
73.02914	2.5
76.08076	0.2
76.60788	0.3
81.03411	4.0
81.07035	0.4
85.02898	7.7
86.09678	0.4
91.03941	0.3
95.04955	0.7
97.02879	3.4
99.04442	1.8
103.03901	0.6
105.03360	0.4
105.07033	0.5
109.02866	2.5
111.00804	0.7
115.03889	0.6
118.06602	0.2
121.02846	1.1
123.04383	1.0
127.03896	7.3
133.04948	0.8
135.04384	0.5
137.02324	2.7
137.05965	0.6
145.04961	2.4
149.02321	0.4
149.05942	0.3
151.03845	0.4
153.01807	3.1
161.06039	0.5
163.03870	0.8
165.01826	2.0
165.09132	0.3
166.02620	0.4
173.05894	0.3
177.05502	0.4
181.04944	0.5
183.02856	0.4
187.06001	4.3
195.09991	0.2
201.05457	1.8
205.07059	1.6
219.06480	0.4
221.08070	0.3
229.04935	4.2
233.07988	0.3
239.03415	0.3
247.06058	0.6
257.04425	2.9
266.05756	0.3
273.03912	0.9
274.04651	0.8
281.07712	0.3
281.10349	0.4
285.03885	1.6
303.04962	100.0
304.05338	2.1
309.07651	1.2
327.08499	2.7
345.05713	0.5
345.09589	3.1
369.05991	0.4
453.22412	0.3
489.24496	0.3
507.15131	0.8
507.25784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
51.28775	0.3
53.03932	2.6
55.01860	1.5
55.05503	8.9
57.03425	1.3
57.07067	29.7
64.07065	0.4
65.03923	0.8
67.05493	20.8
69.03411	1.5
69.06698	0.7
69.07056	9.2
71.04984	1.4
71.08620	20.1
79.05485	9.7
81.03406	65.0
81.07044	22.2
82.03740	0.4
83.04980	2.5
83.08605	21.0
83.94545	0.4
85.06551	0.6
85.10167	12.0
91.05463	13.7
93.07032	6.1
95.04336	0.9
95.04952	17.4
95.08591	19.2
95.09206	0.9
97.02888	1.5
97.06516	1.0
97.10151	5.3
99.08102	0.4
99.11732	0.9
101.10564	0.4
102.77310	0.4
103.05465	0.4
103.86650	0.4
105.07011	9.5
105.87465	0.4
107.04948	4.8
107.08555	2.9
109.06506	1.8
109.10137	10.4
111.04454	0.6
111.08071	5.0
111.11713	1.2
115.05476	0.9
117.07014	1.2
119.04953	0.9
119.08569	8.7
121.06507	1.5
121.10117	3.2
123.04433	0.9
123.08076	0.8
123.11687	3.7
125.13239	0.7
128.06233	0.8
129.06981	7.0
131.08548	5.5
133.06470	2.2
133.10089	3.2
135.11708	0.8
137.09618	1.1
137.13223	2.0
142.07758	2.1
145.10089	0.9
147.07997	2.4
147.11668	4.5
149.09583	2.6
151.14787	0.4
157.10100	6.7
159.11754	0.4
163.11237	0.5
165.12778	1.2
171.07806	0.4
173.11760	0.4
175.11157	7.0
179.14304	0.8
185.13274	0.7
193.12218	33.7
205.12334	0.6
213.12666	0.4
221.22626	0.9
229.14389	0.6
231.13785	1.0
239.23650	8.2
249.14848	5.8
252.00671	0.4
259.20554	0.6
277.21536	0.7
333.24277	0.4
415.46268	0.4
505.38843	100.0
506.39316	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	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54778	0.6
53.03944	3.8
55.01855	0.6
55.05501	10.2
57.03422	0.8
57.07066	33.3
65.03924	1.2
67.05494	20.7
69.03415	1.6
69.07061	10.0
69.57415	0.6
69.57769	6.0
71.04981	1.0
71.08621	21.0
71.09020	1.2
76.68565	0.6
79.05484	9.0
81.03404	69.6
81.07041	21.6
81.83321	0.6
83.04966	2.6
83.08607	20.8
85.10165	12.2
85.10671	0.7
86.07718	0.5
91.05465	15.2
93.07035	6.6
95.04957	16.4
95.08591	20.3
97.02879	2.2
97.06532	1.3
97.10156	5.9
99.11735	0.6
105.07011	10.2
107.04939	4.2
107.08573	2.3
109.06511	1.9
109.10137	10.9
111.04411	1.2
111.08064	5.6
111.11697	1.5
115.05439	1.0
117.07001	1.5
119.08566	8.2
121.06506	1.7
121.10100	3.7
123.08047	0.8
123.11682	6.0
125.13289	0.7
128.06192	1.0
129.06973	7.4
131.08546	5.9
133.06485	2.1
133.10103	3.0
135.08063	0.7
137.09563	1.2
137.13245	2.0
142.07776	2.1
143.08572	0.6
145.10136	1.1
145.33189	0.5
147.08055	2.2
147.11656	4.5
149.09636	2.6
149.13252	0.7
151.14850	1.0
157.10120	6.5
165.12755	1.4
170.70488	0.5
175.11153	6.6
193.12224	25.3
205.12256	0.8
231.13744	1.0
236.19254	0.6
239.23656	6.7
245.73792	0.5
249.14787	6.1
271.93970	0.6
299.06467	0.7
344.30896	0.6
452.11249	0.6
465.26172	0.9
505.38837	100.0
506.39114	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	505.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
54.26202	0.4
55.01858	1.2
55.05502	7.3
56.05033	1.1
56.90163	0.5
57.03419	1.2
59.04974	1.0
61.02903	1.0
62.23349	0.5
67.05495	6.2
69.03426	3.9
69.07058	8.3
70.06567	1.7
70.10780	2.2
71.04978	1.5
73.06530	0.9
79.05485	3.4
80.05806	0.4
81.03398	1.7
81.07048	14.8
82.68530	0.5
83.05000	1.0
83.06086	1.2
83.08612	7.6
84.04494	21.7
84.08118	0.5
85.02895	8.5
85.06541	1.0
85.24112	0.5
86.09703	0.8
87.04431	0.9
91.05453	3.5
93.07033	4.0
95.04964	0.7
95.08597	19.0
96.04478	3.2
97.02872	4.1
97.06519	4.0
97.10148	1.8
98.06038	2.3
99.08105	0.9
102.05524	1.7
105.07014	4.6
107.08578	2.3
108.08106	0.5
109.02865	0.7
109.06506	1.4
109.10113	2.6
110.05987	0.5
111.08047	1.3
115.07528	0.6
116.76437	0.4
119.08558	6.9
121.06497	0.7
121.10168	2.6
123.04426	0.6
123.08051	2.1
126.05509	0.9
127.03878	1.6
127.07590	0.6
130.04985	12.0
131.08578	1.0
133.10118	4.6
135.11690	3.4
136.07518	0.7
137.05959	4.7
137.09575	1.3
137.13237	4.1
138.06303	1.7
139.06557	0.5
141.09122	0.5
142.04973	0.8
145.04872	0.5
145.10085	0.8
149.13170	0.6
151.03900	0.6
161.05914	1.0
161.13246	13.9
163.07530	0.9
168.66689	0.5
175.07509	1.7
176.07875	0.7
178.16019	0.6
179.14323	3.5
193.05136	0.6
193.15855	0.6
196.16917	5.6
203.03450	1.3
208.06038	0.5
211.16957	2.2
214.17998	38.3
215.18382	0.5
231.02756	1.3
234.18593	0.8
251.16307	0.4
256.19211	0.5
257.04416	1.5
259.02283	0.8
262.17993	9.9
273.03961	1.5
279.20609	3.1
280.19046	10.3
285.04056	0.7
287.01831	45.4
288.02237	3.1
296.18423	0.9
301.07111	0.7
307.20248	0.8
308.18509	1.8
312.12869	0.5
325.07068	0.6
325.13431	0.8
325.21094	6.8
326.19583	17.3
343.08109	41.2
343.22238	100.0
344.08450	3.7
344.22549	1.7
353.10220	2.0
385.23340	1.1
421.23099	0.8
441.93472	0.5
469.22656	0.5
487.26736	0.8
505.14349	4.2
505.21448	0.7
505.27878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.7
53.03941	8.3
54.30431	1.1
55.01851	4.6
55.05503	25.0
57.03428	9.0
57.07052	2.6
57.50953	1.1
65.03922	3.3
67.05494	70.1
68.95974	1.1
69.03419	1.6
69.07062	15.9
71.04984	3.6
71.18306	1.3
73.06543	2.2
77.03902	1.7
79.05483	92.1
81.03408	11.4
81.07042	53.7
83.04964	19.2
83.08186	1.4
83.08598	8.1
84.58311	1.4
85.02886	1.6
85.06516	3.6
91.05464	85.8
93.07031	87.2
95.04327	1.7
95.04951	28.9
95.08593	34.6
97.06500	5.8
97.10158	4.1
98.20684	3.1
99.08060	1.3
103.05417	1.9
105.07018	54.4
107.04922	8.0
107.08577	22.3
107.09262	2.4
109.06523	7.6
109.10142	9.7
111.08080	2.1
115.05438	2.6
117.07004	12.3
119.08563	37.1
121.06485	4.5
121.10114	6.9
123.08055	8.2
127.07513	2.2
128.06174	4.0
129.06985	22.7
131.08537	6.3
133.06467	2.4
133.10112	14.8
135.11694	4.0
143.08530	13.8
145.10088	16.9
147.08015	4.7
147.11668	53.8
149.09511	1.5
159.11647	2.5
161.09546	5.6
161.13229	16.5
163.11076	3.8
169.10089	1.5
171.11665	39.3
179.14244	3.8
184.07291	2.4
187.14856	1.4
189.12726	20.4
207.11798	2.8
207.13771	52.4
225.14806	11.2
229.14420	1.5
229.62878	1.4
233.15233	2.7
263.16397	3.9
267.67905	1.2
281.17429	87.8
366.52823	1.3
469.29471	2.3
487.30478	100.0
488.30295	1.7
505.21329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2639
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03959	1.5
55.01862	3.1
55.05502	6.3
57.03419	4.7
57.07051	1.3
59.04995	7.2
61.02902	1.5
61.09812	1.0
65.93406	1.0
67.05489	4.9
67.50989	0.9
69.03420	7.2
69.07054	4.4
71.04972	1.2
71.79259	1.7
73.02900	4.2
79.05474	3.9
80.27855	1.0
81.03430	1.0
81.07065	4.9
83.04968	6.9
83.08598	2.0
85.02891	11.7
85.06539	7.8
91.05466	4.0
93.07037	7.9
95.04951	2.2
95.08588	8.8
97.02879	11.2
97.06535	2.2
99.08076	64.9
105.07026	5.1
107.04942	2.8
107.08574	15.4
109.10145	12.6
111.08050	2.1
115.03883	2.5
117.06995	1.3
119.08558	10.7
121.10093	8.9
122.22865	1.1
123.04444	2.9
123.08057	4.0
123.11687	3.2
127.03910	5.0
131.04941	1.0
133.04959	3.6
133.10110	29.5
135.08040	1.2
135.11667	16.4
137.05951	6.0
137.09566	5.0
139.03908	1.4
143.08560	1.1
145.04938	3.9
145.10059	1.3
147.04367	1.3
147.11681	3.9
149.13203	4.9
151.03867	1.6
151.07472	1.3
151.14818	1.2
163.03923	1.5
163.05917	1.3
163.11217	1.4
165.05476	1.7
167.07069	1.6
175.07452	1.2
175.14822	11.2
177.16377	2.2
181.12244	2.1
191.03400	1.3
193.08554	1.8
193.15855	100.0
194.16222	1.9
211.16898	62.7
212.17152	1.1
243.02792	1.4
245.04527	1.1
255.06490	1.2
257.04428	9.7
269.04398	1.3
273.03983	2.5
283.05954	1.2
285.03894	13.0
286.04272	1.1
287.02036	2.5
297.07535	18.1
297.10782	1.7
298.07724	1.3
301.07028	4.2
309.07578	3.1
325.06992	5.4
325.10559	1.9
343.08093	42.5
343.11697	2.5
344.08408	3.1
353.10226	6.0
429.81918	1.3
487.13797	1.5
487.22989	1.3
505.14752	14.4
505.23032	3.5
505.32428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1334
Annotation	Isoplatycarpanetin 7-O-glucoside
Peak:m/z	Relative Intensity
54.68916	0.2
56.75392	0.2
64.71354	0.2
69.85188	0.5
69.85596	1.3
70.06583	0.3
78.29194	0.2
85.02871	0.4
105.06986	0.3
107.74689	0.2
123.04331	0.3
167.42795	0.2
203.03391	2.4
231.02788	2.1
245.00769	0.6
259.02365	1.5
259.81467	0.3
280.22000	0.3
287.01816	100.0
288.02115	2.2
301.03329	0.9
325.07214	0.3
343.08078	90.0
344.08392	2.1
353.10394	0.3
487.23044	0.4
505.13293	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	505.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01875	0.7
55.05530	0.4
57.03437	0.9
58.14254	0.3
59.05005	0.4
61.02929	0.7
61.09810	0.3
67.05504	0.9
67.55307	0.4
68.99817	0.5
69.03419	3.0
69.07069	1.1
70.06615	0.5
70.09554	2.1
71.04977	0.4
73.02924	0.8
79.05496	0.6
81.03413	1.2
81.07063	1.3
83.04986	0.7
85.02900	4.8
86.09722	0.4
87.04446	0.7
89.26656	0.3
91.03936	0.3
91.05458	0.7
93.07054	1.3
95.08601	1.0
97.02886	2.6
97.03427	0.4
97.06548	1.0
99.04448	1.2
99.08099	1.1
105.07033	0.9
107.08578	0.9
109.02847	0.7
109.10152	0.7
111.04447	0.5
115.03889	0.4
119.04959	0.8
119.08597	0.7
121.10103	0.6
123.04419	0.6
127.03937	1.5
133.06543	0.3
133.10144	0.6
135.11646	0.9
137.05969	0.9
139.03944	0.4
145.04945	1.2
153.01822	1.5
161.05983	1.6
163.03923	0.8
171.04446	0.8
171.07973	0.6
175.07472	0.4
189.05473	2.6
191.06952	0.4
193.15855	1.9
201.05484	0.5
211.09641	0.8
211.16904	1.4
214.18056	0.4
217.04955	3.8
218.17224	0.3
229.04886	0.6
231.02950	0.6
231.44250	0.4
235.06026	1.1
239.03461	0.4
241.04938	0.5
244.03786	0.5
245.04327	0.6
247.02383	1.2
251.07047	1.5
255.02870	0.7
255.06474	0.4
257.04419	2.8
258.05164	0.4
260.03247	0.6
261.03894	1.5
269.04456	1.5
269.07999	1.1
272.03152	1.1
273.03900	13.5
274.04361	0.4
277.03397	0.5
279.06458	2.2
281.04419	0.6
281.08133	0.7
282.05249	1.7
283.02481	1.2
283.05853	0.8
285.03876	7.4
286.04559	0.6
287.01828	3.8
287.05463	1.5
289.03391	6.7
297.07510	3.7
301.03427	15.8
301.06949	1.5
307.06073	0.8
308.06750	0.7
309.07547	2.8
310.04453	0.4
311.05460	2.2
313.03265	1.8
314.04111	0.7
315.04868	1.4
315.08585	1.2
325.07040	24.1
326.07547	1.9
327.05164	0.7
327.08554	2.0
328.05795	1.1
341.09998	0.7
343.08066	100.0
344.08453	3.1
353.10181	5.3
487.22726	0.7
505.13538	18.7
505.23682	0.8
506.14233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1333
Annotation	Dipteryxine 7-O-glucoside
Peak:m/z	Relative Intensity
55.01868	0.6
55.05526	0.7
57.03434	1.1
59.04999	0.3
59.72489	0.3
61.02912	0.7
67.05526	0.6
68.89655	0.2
69.03414	2.7
69.07067	0.6
70.06576	0.3
71.05004	0.3
73.02905	0.8
79.05477	0.5
81.03416	1.2
81.07055	1.0
83.04984	0.5
85.02898	4.5
85.06530	0.5
91.03941	0.3
91.05485	0.5
92.38332	0.3
93.07048	0.9
93.39010	0.3
95.04970	0.6
95.08598	0.7
96.47647	0.3
97.02870	2.5
97.06556	0.8
99.04453	0.6
99.08093	1.9
101.33592	0.3
103.03906	0.5
105.07030	0.9
107.05005	0.4
107.08589	0.8
109.02873	0.6
109.06473	0.3
109.10145	0.4
110.97157	0.3
115.05419	0.3
119.04953	1.1
119.08585	0.7
121.10122	0.4
123.04411	1.0
123.11742	0.4
127.03876	1.9
133.06477	0.7
133.10146	1.0
135.11670	0.7
137.06000	0.8
143.04887	0.4
145.04967	1.0
147.04454	0.6
153.01854	1.5
161.05994	1.2
163.03915	0.4
163.07576	0.3
167.07114	0.4
171.04341	0.6
175.14769	0.4
177.05389	0.5
177.16267	0.3
189.05452	1.9
190.06291	0.4
193.15816	2.4
203.03415	0.5
211.09605	0.7
211.16930	1.3
217.04941	3.3
223.34047	0.3
229.04967	0.7
232.03619	0.3
233.08035	0.5
235.06024	1.2
241.04889	0.6
245.04457	0.8
247.02332	1.2
251.07085	1.2
253.04903	0.5
255.02893	0.7
256.03604	0.3
257.04428	2.7
259.05777	0.4
260.03195	0.8
261.03949	0.8
269.04858	0.5
269.08044	1.5
270.05099	0.4
272.03156	1.2
273.03891	12.3
275.01901	0.6
275.05850	0.3
277.03149	0.5
279.06396	2.2
280.07339	0.4
281.07932	0.6
282.05225	1.9
283.02335	0.8
283.05963	1.0
285.00702	0.4
285.03870	7.8
287.01831	6.1
287.05420	1.3
289.03391	6.7
293.04410	0.4
295.05972	0.4
297.04236	0.5
297.07541	4.1
299.05444	0.6
301.03406	15.7
301.06894	1.5
304.84589	0.3
307.06131	1.4
308.06995	0.5
309.07501	2.0
310.04752	0.4
311.05438	3.6
313.03281	1.4
314.03946	0.6
315.04886	1.2
315.08615	1.5
325.07004	26.1
326.07602	2.3
327.04962	0.7
327.08591	2.7
328.05722	1.3
339.08612	0.4
341.10156	0.6
342.10580	0.6
343.08054	100.0
344.08377	1.9
353.10184	3.5
367.08109	0.3
469.11063	0.5
487.23517	0.3
505.13477	21.0
522.64008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
57.03423	1.5
59.04998	2.5
61.02881	0.5
61.77442	0.5
62.06056	0.7
64.92257	0.5
67.05499	0.6
67.39723	0.5
69.03430	2.4
69.07053	1.2
69.55499	0.4
70.06561	0.6
70.94122	1.4
71.04971	1.4
71.08622	3.1
72.08119	0.7
73.02882	0.7
73.27193	0.4
73.86055	0.4
76.65443	0.5
79.05488	1.1
80.38026	0.4
81.03403	1.5
81.07046	4.2
81.57545	0.4
83.04970	3.6
84.04469	0.7
85.02896	4.6
86.06059	11.5
86.09737	0.5
91.05466	0.8
91.62104	0.4
93.07030	0.7
95.04926	0.9
95.08597	1.2
96.08134	3.1
97.02878	2.9
97.06506	1.1
98.09692	6.7
99.04416	0.7
99.08088	8.3
101.06004	2.7
105.03387	1.2
107.08592	1.1
109.02876	0.8
109.06496	0.6
109.10109	0.7
110.09785	0.4
111.04414	4.0
114.09152	0.6
115.05381	0.5
116.10724	17.9
117.09118	1.9
119.08568	1.6
121.08827	0.6
121.10101	0.6
122.09684	0.7
123.04428	0.9
124.07590	1.0
127.03894	1.9
129.05470	2.0
131.08504	0.5
133.06438	0.5
133.10069	0.5
134.09599	1.2
135.07928	0.4
135.10429	0.5
136.11252	0.5
137.02338	0.7
137.05957	1.0
137.09581	0.9
139.03853	0.9
142.08630	9.7
142.12273	0.9
143.10635	2.5
145.04907	0.6
145.10062	0.5
147.04343	0.6
149.13214	0.5
155.06969	1.6
161.06003	0.6
162.12746	0.9
164.10686	4.5
167.07027	0.5
169.38530	0.5
173.08122	1.1
175.07581	0.5
180.13826	1.1
181.04936	0.9
182.15410	4.8
183.10133	0.5
189.05522	0.5
190.12279	3.5
198.14899	2.3
203.17857	0.5
208.07265	0.6
208.13319	5.3
214.17996	3.5
221.11858	0.7
226.14357	27.8
227.14752	0.5
229.04987	0.9
231.48515	0.4
238.80072	0.5
239.12744	1.3
243.02640	0.6
244.15424	100.0
245.15761	1.7
257.04425	1.6
259.11191	1.1
261.13370	0.9
269.04303	0.5
273.03854	1.2
279.08594	1.1
281.04593	0.4
285.03952	5.0
297.07538	0.7
301.06970	2.3
309.07541	1.8
311.05496	0.5
324.21674	1.6
325.07047	0.9
325.10760	0.6
342.22711	14.9
343.04086	0.9
343.08060	14.8
343.11661	1.2
353.10217	3.8
388.19791	0.7
406.20700	4.2
486.26791	0.7
504.27347	2.8
505.14877	4.3
507.37384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60595	0.3
53.03936	0.9
55.01856	0.5
55.05506	3.4
57.07053	1.5
61.02914	0.4
67.05491	7.4
69.03420	1.1
69.07056	15.8
71.04966	1.2
71.27435	0.6
74.66126	0.3
74.95699	0.3
79.05481	2.5
80.43399	0.4
81.03393	1.4
81.07044	14.1
82.49186	0.4
83.04981	0.6
83.08601	7.4
85.02869	2.3
85.03716	0.3
85.06540	0.7
87.00796	0.6
91.05455	2.2
93.07030	9.0
95.04958	0.7
95.08593	12.9
97.02916	0.6
97.06509	2.9
97.10136	2.0
97.10688	0.4
105.01842	0.4
105.07010	9.0
107.08575	6.7
109.02843	0.8
109.06483	1.0
109.10139	14.8
109.10894	0.7
111.08097	0.3
111.11684	1.1
119.08564	15.7
121.10118	2.8
123.04437	0.5
123.08057	0.7
123.11691	8.0
125.56204	0.4
127.03866	0.8
131.08559	0.6
133.10109	4.6
135.11678	6.9
137.09596	0.7
137.13232	3.3
139.11121	0.4
143.51997	0.4
145.04832	0.5
145.10094	0.7
147.11664	8.1
149.13223	2.2
151.11082	0.4
153.12729	5.9
159.02866	1.0
161.13232	2.4
163.14752	1.1
165.12744	1.2
177.16362	0.4
179.14223	0.5
193.19411	0.4
203.17928	8.8
221.18971	100.0
222.19295	1.6
239.20038	0.7
248.83926	0.4
249.63518	0.4
281.34689	0.4
430.26248	0.5
486.39227	0.4
504.29385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
70.80933	0.4
70.81293	0.7
72.08112	0.3
79.05496	0.6
85.02908	0.7
91.05473	1.0
93.07037	1.1
95.04984	0.5
98.20660	0.2
98.97556	0.5
103.05450	5.8
107.04935	2.0
116.98600	0.3
119.04913	1.6
120.08086	100.0
121.08423	0.9
123.08031	0.6
131.04900	2.7
135.04352	0.6
141.09067	1.5
145.02805	0.4
147.04388	8.2
149.05974	1.8
159.10126	2.0
163.03889	3.0
163.38242	0.2
164.04221	0.4
166.08614	53.9
167.08929	0.5
169.67589	0.3
219.01759	0.2
407.60135	0.2
504.17523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01874	0.6
55.05500	4.1
56.73453	0.6
57.03422	0.7
61.02912	0.8
67.05486	1.4
69.03423	4.1
69.07047	1.2
70.06566	0.7
71.04996	0.8
71.08620	5.0
71.58958	1.2
72.08147	1.0
73.02903	0.7
79.05477	1.6
81.03400	1.6
81.07027	2.3
83.04961	4.4
84.08131	0.7
85.02885	4.8
86.06059	13.7
87.04400	0.7
91.05458	1.0
93.07021	1.7
95.04967	1.1
95.08588	1.5
96.08119	5.4
97.02885	3.1
97.06534	1.5
98.09684	8.0
99.04429	0.6
99.08072	6.2
100.07593	0.6
101.06004	4.0
105.07037	0.8
106.68313	0.6
107.08583	0.8
108.08144	1.1
109.02895	1.2
109.06461	0.7
109.10101	1.0
111.04442	4.7
115.03899	0.8
116.10715	23.3
119.08551	1.6
121.08897	1.0
121.10107	0.8
122.09635	1.3
124.07557	0.9
127.03893	2.7
129.05457	2.3
133.10094	1.2
134.09619	1.2
135.11668	0.8
137.05943	1.1
137.09541	0.6
142.08626	8.9
142.12321	0.8
143.10645	3.9
145.04915	0.8
145.10013	0.7
147.06454	0.7
147.11635	0.8
148.52878	0.5
152.10782	0.6
154.15811	0.6
155.06989	1.9
162.12735	0.6
163.05946	0.6
164.10707	3.7
166.15889	1.1
173.08145	1.6
180.13820	1.3
182.15378	4.5
184.13350	1.0
190.12192	3.4
196.16940	2.7
198.14853	1.8
203.17999	1.0
208.13300	4.5
214.17989	39.5
226.14351	29.4
244.15419	100.0
245.04245	0.6
245.15712	1.7
257.04468	3.1
261.13361	1.3
267.07822	0.8
269.04517	1.1
271.05838	0.6
273.03818	0.9
297.07709	1.2
324.21667	1.4
325.10791	0.9
342.22748	16.6
343.08136	3.0
353.10135	3.8
354.30038	0.5
376.23300	4.2
388.19662	1.1
406.20654	8.4
416.30774	0.6
417.59540	0.7
504.27499	5.9
504.35760	1.3
505.14786	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	503.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01865	1.9
55.05504	31.6
57.03413	1.3
57.07068	10.0
65.03939	0.5
67.05135	0.6
67.05496	11.1
69.03424	1.3
69.07058	34.7
70.05678	0.6
70.06088	2.0
71.04982	1.2
71.08617	7.0
74.09706	5.5
75.10035	0.9
76.42263	0.4
79.05480	9.6
79.57384	0.4
81.03406	69.7
81.07043	9.9
83.04980	2.4
83.08607	38.5
85.06530	0.4
85.10165	2.9
88.38845	0.4
91.05466	13.7
93.07027	6.5
93.39435	0.5
95.04958	18.5
95.05572	0.9
95.08587	3.8
97.02876	1.4
97.06534	1.1
97.10155	22.5
98.20672	0.5
99.08072	0.4
103.05457	0.6
105.07016	10.2
107.04942	3.7
107.08572	3.1
107.35582	0.4
109.06509	1.8
109.10143	1.7
111.04449	1.1
111.08067	5.8
111.11697	7.1
115.05436	1.4
117.07008	1.5
119.04890	0.5
119.08560	9.0
121.06508	1.6
121.10120	5.3
123.08054	0.7
123.11707	0.9
125.09628	0.4
125.13264	2.4
128.06197	0.7
129.06979	7.6
129.07944	0.5
130.30409	0.4
131.08549	6.0
133.06473	2.7
133.10110	2.5
135.11685	1.3
137.09636	0.6
141.06956	0.4
142.07750	2.3
143.08551	0.5
143.78908	0.4
145.10135	0.9
147.08044	1.8
147.11658	5.2
149.09566	2.9
157.10110	7.2
163.03937	0.8
163.11201	0.5
165.05482	0.5
165.12727	1.0
175.07457	0.5
175.11182	6.6
185.13242	0.6
193.12218	27.2
195.02946	0.5
197.76205	0.4
203.07059	1.3
205.06630	1.0
205.12209	0.5
219.10144	1.0
221.08098	0.9
223.07704	2.4
226.01933	0.5
231.13800	1.0
237.22165	1.2
249.14851	5.9
277.14362	0.8
341.21045	0.7
343.19086	1.5
361.20032	0.6
503.37262	100.0
504.37622	2.1
510.42062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01859	0.9
55.05504	26.6
57.03419	1.4
57.07066	8.6
65.03938	1.2
67.05495	25.5
69.03400	1.9
69.07061	27.9
69.57146	1.1
71.04986	2.0
71.08624	4.6
71.81917	1.7
71.82323	1.4
74.09708	1.5
74.48145	0.9
79.05478	16.4
81.03409	50.4
81.07044	32.7
83.04963	2.2
83.08608	30.0
85.06540	2.8
85.10181	2.1
91.05469	16.4
93.07038	12.9
95.04958	14.2
95.08600	9.0
97.02882	1.3
97.10161	18.8
105.07006	12.0
107.04958	2.9
107.08585	8.2
109.06528	2.3
109.10140	4.6
111.08069	4.2
111.11704	5.0
117.07055	1.7
119.08563	9.5
121.06493	2.4
121.10131	7.9
123.11719	7.2
125.13257	1.9
126.11674	1.1
129.07019	5.6
131.08537	4.7
133.06514	3.1
133.10136	5.5
135.08086	1.1
135.11661	5.2
142.07805	1.4
145.10059	1.5
147.08015	2.8
147.11618	4.7
149.09613	1.7
149.13248	1.0
151.03900	1.3
151.11151	2.0
155.08525	1.0
157.10114	4.8
175.07523	1.6
175.11142	5.5
177.20947	1.0
181.04929	1.7
187.13313	2.7
191.07082	1.4
193.12238	20.3
203.06989	8.8
205.06668	1.2
209.08058	1.5
219.10138	8.7
221.08083	7.8
223.07765	3.4
237.22119	2.0
249.14876	3.8
274.10806	1.0
275.16440	3.6
275.19540	1.1
277.14301	8.7
292.17871	1.0
341.21100	4.7
343.19006	7.9
345.20755	1.9
359.22165	2.4
361.19928	6.3
399.25372	1.8
411.25281	1.6
496.42303	1.0
503.37326	100.0
504.37512	2.4
507.03455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3362
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.01867	2.0
55.05494	2.5
57.07071	4.1
67.05485	3.4
69.03432	1.3
69.07057	14.0
70.70300	2.9
71.04980	0.9
74.09707	5.7
77.03941	0.9
79.05477	3.7
79.26485	0.8
81.03397	3.6
81.07041	11.2
83.08591	1.9
91.05445	4.1
93.07037	7.4
95.04951	2.5
95.08591	3.2
105.07001	3.8
107.04968	0.9
107.08577	8.7
109.06515	1.5
109.10143	4.6
111.92796	0.8
117.06976	1.4
119.08557	3.1
121.06472	6.3
121.10113	2.5
123.11687	38.0
129.06985	1.1
129.43100	0.8
131.08517	1.2
133.06480	2.7
133.10078	1.2
135.04393	7.0
135.08031	10.4
135.11661	13.3
137.05968	0.8
139.03882	1.3
147.08035	7.8
147.11642	1.1
149.05946	2.0
151.03876	9.2
151.17558	0.9
157.06503	3.3
157.10114	1.0
161.05971	14.0
161.07191	1.5
163.03871	27.0
163.07471	2.2
165.05370	1.1
175.03989	1.0
175.07524	17.5
177.05481	5.1
181.04939	16.9
185.05989	3.1
187.07536	1.9
189.05463	1.4
189.09061	1.6
191.07018	7.2
193.08582	0.9
195.06407	0.9
201.09102	1.6
203.06999	100.0
204.07300	2.5
205.08546	2.6
207.10136	5.5
209.08057	6.3
213.12971	0.8
217.08585	2.7
217.82681	1.0
219.10136	78.9
220.10600	1.2
221.08061	80.4
222.08357	1.6
223.09691	1.8
228.08334	0.8
229.08466	1.7
229.12291	0.9
241.08681	1.0
245.11678	2.5
257.11731	2.3
259.13336	7.2
265.14386	1.4
267.13794	4.7
273.14789	3.2
275.12839	5.7
275.16394	19.0
277.14316	56.9
278.14755	1.5
283.13379	0.9
285.14792	15.4
289.14288	1.4
291.15784	1.0
301.17926	2.4
303.15906	7.8
307.17017	1.0
325.17770	4.0
329.21201	1.4
333.20303	1.1
341.21091	51.3
342.21487	2.4
343.18994	75.3
344.19388	2.8
345.20496	12.0
359.22147	13.1
361.20016	16.0
377.23135	3.4
379.21262	1.2
397.23196	1.8
397.27588	2.3
399.25262	16.5
401.20718	0.9
411.25308	12.7
417.26581	1.7
429.26324	1.8
447.28265	0.8
467.31479	2.3
485.32632	1.2
503.37006	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	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.8
54.99432	1.3
55.01867	3.5
55.05505	33.2
57.07066	13.6
67.05488	15.7
69.03429	1.8
69.07058	46.6
69.12904	1.4
71.01359	1.4
71.08612	7.2
71.25940	3.8
79.05485	11.7
81.03410	65.3
81.07045	16.4
83.04980	3.9
83.08611	36.5
85.10210	3.3
89.06011	1.4
91.05467	15.4
93.07034	18.5
95.04958	17.1
95.08617	5.4
97.02858	1.8
97.06522	2.8
97.10154	19.2
105.07019	12.1
107.04966	5.4
107.08604	6.3
109.06496	2.2
109.10164	7.3
111.08099	5.5
111.11737	6.3
114.85213	1.3
117.07039	2.4
119.08558	10.2
121.06521	6.1
121.10103	7.3
122.50692	1.5
123.08042	1.7
123.11732	5.9
125.13283	2.3
129.06985	8.0
129.79555	1.5
131.08571	7.0
133.06517	3.1
133.10181	3.6
135.08023	2.9
135.11703	5.7
142.07784	2.8
143.08601	1.9
145.10191	1.9
147.08066	5.2
147.11746	3.9
149.06024	1.5
149.09644	5.3
151.04034	1.6
157.06516	3.1
157.10097	7.9
161.06020	4.0
161.09566	1.6
163.03944	2.3
163.07610	2.3
165.05528	2.7
175.03951	1.7
175.07513	11.6
175.11250	5.2
177.05428	11.3
181.05028	2.4
189.09140	3.0
191.07027	7.1
193.12212	20.0
193.13756	1.6
199.07574	3.0
201.05585	3.2
203.06987	23.3
203.08713	2.1
205.08664	3.7
209.08125	3.2
213.12791	2.0
217.08585	23.3
219.10176	5.4
221.08015	11.4
223.07709	2.0
227.10703	3.6
229.08621	12.3
231.10170	1.6
235.09579	7.5
237.22150	2.0
241.08612	7.8
241.12343	2.8
242.09145	2.0
243.10187	3.5
249.14984	6.2
255.10080	1.8
259.09821	2.3
261.11319	2.4
269.11710	11.0
273.14844	2.4
283.13452	4.9
285.14828	26.6
287.12689	6.9
303.15994	2.7
325.17978	21.3
331.19278	1.9
341.21124	29.1
343.19016	100.0
344.19336	4.1
359.22177	18.7
361.20053	73.5
362.20276	3.0
397.23639	3.9
399.25275	8.7
411.25305	5.8
417.26248	7.8
417.79956	1.8
429.26208	1.8
485.20782	2.6
503.21744	4.5
503.37396	86.0
504.37781	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.336
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.07069	2.5
67.05492	2.3
69.07056	12.7
70.83312	6.8
74.18742	2.2
79.05490	2.5
79.38603	2.0
81.03400	3.0
81.07027	5.9
83.08567	2.4
86.08398	2.1
91.05468	5.4
93.07051	4.7
95.08586	4.5
107.01303	2.0
107.08591	4.0
109.10155	4.6
112.11719	1.9
121.06470	5.4
123.11692	37.3
133.06491	3.8
135.04419	7.0
135.08035	10.6
135.11673	8.6
147.08023	5.6
149.05919	2.5
151.03914	7.4
157.06483	3.5
161.05995	14.5
163.03886	28.8
175.03847	2.5
175.07541	20.0
177.05496	4.3
181.04987	10.9
191.07053	6.7
203.07001	100.0
207.10190	5.4
209.08089	6.8
211.57449	2.2
217.08591	6.0
219.10130	96.8
220.10840	2.4
221.08060	85.2
229.08527	2.7
257.11603	3.2
259.13257	10.1
273.14886	3.6
275.12854	8.4
275.16370	31.2
277.14322	82.3
285.14822	15.7
325.17874	4.2
341.17081	2.8
341.21069	41.6
343.18994	67.9
345.20535	23.1
359.22208	23.8
361.20074	37.8
399.25314	16.9
411.25449	10.9
417.26413	4.5
429.26120	4.0
435.45398	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	503.3361
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.05490	2.9
56.35931	1.0
57.07052	2.7
67.05474	2.7
69.03413	1.3
69.06752	1.6
69.07063	19.1
70.02484	7.6
79.05479	2.3
81.03396	3.8
81.07054	5.6
83.08618	2.8
84.85366	1.0
91.05489	4.7
93.07043	9.7
95.04958	1.5
95.08611	2.3
98.20788	1.9
104.46263	1.2
105.07023	2.8
107.04949	1.4
107.08567	3.3
109.06496	1.8
109.10123	4.1
111.08099	2.0
121.06497	4.5
121.10195	1.5
123.11701	6.6
128.09941	1.2
133.06487	1.2
133.10106	7.9
134.10489	2.9
135.08022	3.6
135.11679	4.9
147.08000	2.4
149.06032	2.7
149.09602	2.3
150.09984	1.3
151.03888	4.4
161.05994	3.3
161.09573	1.4
163.03905	3.1
163.07568	2.8
171.10217	1.4
173.09593	1.4
175.07547	8.9
177.05443	11.0
181.05072	1.9
187.03918	1.8
189.05504	2.8
189.09108	1.8
189.11136	1.9
191.06967	9.6
193.12111	1.6
199.07585	2.3
201.05472	3.4
203.07011	21.3
205.08647	1.6
207.10130	2.4
209.08110	5.0
215.06937	1.7
217.08591	17.9
219.10213	6.1
221.08081	6.5
227.10637	2.5
229.08569	19.3
233.11707	2.7
235.09641	10.3
241.08536	6.9
241.12238	2.0
243.10030	2.8
259.09647	2.3
261.11145	2.8
267.13715	1.3
269.11621	8.4
273.14862	4.2
283.13153	4.7
285.14847	30.2
287.12823	4.8
325.17999	19.5
331.19064	1.9
341.21097	40.5
343.18994	100.0
344.19363	2.8
359.22150	17.2
361.20044	44.1
363.09720	2.2
397.23212	1.8
399.25226	18.9
411.25290	7.5
415.24463	2.0
417.26300	5.0
429.26294	4.1
434.14871	1.9
485.20615	2.8
503.21921	9.7
503.37054	4.4
504.22101	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	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01860	1.1
55.10514	0.5
57.03439	1.0
61.02926	2.3
69.03418	9.8
70.06572	1.0
71.77493	0.6
73.02885	0.9
79.05485	1.1
79.95007	0.5
81.03394	2.9
81.07042	1.3
84.88940	0.5
85.02890	15.9
86.09654	1.5
87.04443	1.1
91.05473	2.9
94.04155	3.0
95.04962	0.9
95.08571	0.9
97.02882	6.2
99.04412	1.2
102.21418	0.4
103.03928	0.9
103.05418	2.6
105.07011	3.2
107.04967	1.2
107.08585	1.1
109.02864	1.8
109.06502	2.4
115.03917	1.0
115.05473	2.8
117.07011	0.7
119.08582	2.4
121.06456	0.9
122.03618	6.7
125.09599	1.4
127.03890	3.3
128.06169	1.7
129.06963	1.9
130.97572	0.4
131.04901	3.9
131.08530	0.9
132.05731	2.3
133.06480	2.6
133.10115	1.8
135.08034	0.7
137.05956	100.0
138.06284	0.5
141.06992	0.5
145.04944	2.1
145.06439	1.1
146.03586	0.8
147.04408	0.8
147.08034	2.8
149.05940	1.3
156.05698	0.5
157.06454	0.6
159.08073	1.2
160.05177	1.5
161.05965	10.1
163.07507	7.4
167.06992	0.8
169.06438	0.5
171.07967	1.1
173.13258	2.0
175.07521	36.0
177.05498	0.5
179.06985	0.7
184.05185	1.3
185.06094	0.6
187.07506	5.2
189.07083	0.5
190.07722	1.1
191.08562	3.8
191.14255	5.1
192.09239	0.7
195.07841	0.6
199.07515	13.7
201.09137	1.0
202.07718	3.4
203.08522	7.2
205.06557	0.6
208.08919	0.8
209.08057	1.3
209.15337	6.2
217.08444	0.6
218.07256	1.7
219.08034	6.7
220.08768	1.9
230.07407	0.8
231.08035	8.2
231.10213	0.9
232.08792	1.9
233.09651	0.7
235.11302	0.7
236.08189	0.6
237.09070	1.0
245.09535	0.6
247.07477	3.3
248.08298	3.4
249.09160	0.7
251.10658	8.6
259.07486	5.2
260.08319	1.4
261.09030	0.9
263.10583	4.1
264.07758	0.9
265.08511	1.8
275.06873	0.6
276.07770	2.5
277.08621	3.2
279.10110	7.3
280.10904	0.8
291.10123	11.5
292.10876	3.9
293.08038	1.4
295.09991	0.6
295.13235	1.8
296.10260	0.7
308.10419	1.5
311.09070	0.9
311.12729	21.5
323.12738	22.8
325.14258	2.0
341.10034	1.9
341.13770	0.6
503.31183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01868	1.8
55.05504	18.8
57.07067	7.4
67.05499	10.9
69.07060	31.2
69.91418	8.4
71.05001	1.5
71.08624	5.6
79.05479	7.6
81.03408	43.8
81.07034	9.7
83.04972	1.8
83.08607	23.6
85.10185	2.0
91.05452	9.8
93.07050	8.2
95.04948	11.3
95.08597	5.1
97.10160	12.6
98.20853	2.0
105.07016	9.1
107.04951	4.0
107.08608	5.1
109.06495	1.8
109.10150	8.0
111.08070	3.4
111.11730	4.3
111.45137	1.1
119.04958	1.8
119.08571	5.2
121.06516	5.0
121.10155	5.2
123.11697	5.6
129.06186	1.2
129.07018	4.5
131.08591	5.2
133.06563	2.5
133.10141	3.6
135.08015	2.8
135.11700	5.8
137.06001	1.5
142.07796	2.0
143.08545	2.0
145.10205	1.9
147.08046	5.4
147.11685	5.0
149.06020	1.7
149.09634	2.7
151.03899	3.0
156.05174	1.2
157.10146	4.0
159.07855	1.2
159.11641	1.2
161.05989	3.5
161.09624	1.9
163.03969	3.4
163.07645	2.4
165.05457	2.9
171.08040	1.9
173.09691	1.5
175.03880	1.4
175.07521	11.8
175.11179	5.0
177.05472	9.8
185.32825	1.4
187.03859	1.5
187.07611	1.6
189.05429	1.4
189.09099	1.5
191.07050	9.0
193.12204	14.1
199.07631	1.7
201.05420	3.0
203.06993	23.4
205.06834	1.5
205.08615	4.2
209.08105	4.4
213.12862	1.4
215.06963	2.0
217.08565	22.2
217.10521	1.7
219.10216	3.1
221.08020	9.3
223.07695	2.3
223.11217	1.3
227.10699	3.7
229.08594	17.7
231.10141	1.8
233.11697	1.8
235.09659	10.5
241.08563	9.1
243.10315	4.0
245.11795	1.4
249.14908	4.7
257.11594	1.7
259.09695	3.0
261.11249	2.4
269.11713	8.4
273.14896	2.2
283.13397	4.0
285.14832	24.9
285.17816	1.8
287.12601	7.2
291.15945	1.8
303.15921	2.0
325.17932	22.4
325.21402	1.8
341.21097	23.0
343.19012	100.0
344.19492	4.2
359.22046	18.0
361.20056	75.2
362.20636	1.6
380.69351	1.7
397.23895	3.8
399.25235	8.6
411.25345	5.1
417.26349	12.1
425.63306	1.4
429.26483	4.1
503.21786	3.8
503.37338	55.3
504.37436	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
55.05509	0.6
57.03434	7.3
57.07067	14.2
59.04992	100.0
61.02919	4.0
67.05479	0.7
69.03416	10.4
69.07059	0.6
70.06591	1.0
71.01350	2.0
71.32000	1.3
73.02910	12.1
77.06034	0.5
80.15864	0.5
81.03411	2.1
81.07023	0.7
83.04992	0.6
84.08134	1.8
85.02894	21.6
86.09685	1.1
87.04474	1.6
90.35649	0.6
91.05428	0.8
95.04970	0.6
95.08593	0.5
97.02879	16.3
97.06572	0.6
97.10165	0.9
99.04444	1.2
103.03942	1.7
105.07009	0.9
109.02883	2.3
109.06512	0.8
115.03920	7.8
115.11190	28.3
117.09112	2.2
119.04887	0.5
121.15395	0.5
123.04385	0.8
127.03898	7.4
129.10423	0.5
130.04961	0.7
130.08595	2.8
133.04951	8.4
133.06523	0.6
135.04463	0.7
137.05957	2.3
139.03813	0.6
145.02791	0.6
145.04936	7.0
147.04379	2.3
148.04749	0.8
151.03876	1.4
163.03871	1.0
163.05972	1.9
164.04242	1.0
173.09592	1.6
173.15356	7.3
175.07532	2.0
177.12708	0.7
191.10617	1.5
191.16399	95.4
192.16820	1.0
193.08591	1.1
197.07629	0.5
219.10168	1.5
223.05908	0.8
226.76596	0.5
241.07063	1.4
254.08737	0.5
257.04840	0.6
259.08096	1.7
267.06448	0.9
282.36774	0.6
295.10242	0.6
297.07489	1.1
396.48849	0.6
449.14053	0.6
502.22488	1.2
503.11813	0.8
503.20438	1.2
511.23453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03931	0.6
52.28587	0.5
55.01856	1.6
57.03415	1.8
61.02933	0.9
69.03424	5.4
70.06583	0.9
73.02916	1.4
81.03406	1.2
85.02895	12.6
94.06558	1.4
97.02895	4.3
98.21478	1.4
98.97591	1.9
99.04430	0.7
103.19453	0.6
109.02886	1.3
116.04728	58.4
116.07056	2.0
116.98624	0.8
119.01935	1.6
127.03914	6.0
128.98601	0.7
133.03458	0.8
143.01892	1.5
145.04924	3.5
155.01964	0.7
159.03107	0.7
160.03683	100.0
161.01387	0.7
161.02919	2.8
161.04134	0.8
161.05528	1.4
170.06023	2.1
173.02971	1.6
177.00629	1.1
183.05035	1.7
185.02954	1.8
191.03897	1.2
197.02737	0.7
203.04007	1.1
205.03818	0.7
219.01779	0.7
219.07048	1.2
220.02612	0.7
220.04514	3.9
227.04053	0.9
242.08157	2.8
245.04977	4.5
246.05353	1.2
247.04631	0.7
251.08789	4.3
255.07118	1.2
263.06134	1.1
264.07773	0.7
264.57980	0.7
273.08081	4.7
273.58295	1.5
274.08163	0.9
281.07019	1.3
321.10342	3.4
322.10825	0.7
365.09637	1.3
381.12421	0.7
502.12143	0.8
503.16467	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	502.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.3
56.96545	1.1
57.03428	0.7
61.02898	0.7
68.99730	0.6
69.03419	1.6
71.79661	1.1
71.80012	0.8
73.02897	1.0
84.04492	90.3
85.02895	5.4
85.04229	0.5
85.04820	1.0
89.03908	1.3
97.02871	1.9
98.97578	1.8
102.05527	29.8
108.76289	0.5
116.04728	1.4
116.98632	1.1
117.03350	1.2
119.01875	0.8
123.04348	0.6
127.03905	1.7
130.04982	41.0
131.05350	1.4
135.04395	3.1
145.02843	2.0
145.04893	1.2
147.07622	3.1
148.06023	100.0
150.18674	0.5
158.92145	0.8
158.99675	0.7
160.03627	2.7
161.02849	1.1
163.03873	20.1
164.04219	1.6
177.00745	1.3
183.18549	0.5
189.00681	0.9
191.03828	2.3
200.04471	1.4
201.00642	1.1
209.05002	0.6
219.01775	1.2
237.02869	0.9
240.46625	0.7
243.01746	0.6
244.07051	1.6
245.05157	0.7
261.02805	1.3
272.06439	1.1
273.58084	0.8
279.03732	0.9
281.07071	5.1
281.57272	0.8
321.04535	0.6
328.39142	0.6
340.08743	0.6
362.59628	0.9
366.10614	1.3
502.14001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3205
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
54.76001	2.1
55.01858	3.3
55.05498	2.3
55.72075	2.3
57.07071	2.4
67.05492	8.0
69.07060	25.7
71.05000	3.7
71.34835	2.8
71.35171	4.1
79.05474	3.9
81.07035	8.0
83.04922	2.4
83.08610	2.1
91.05483	7.3
93.07014	11.6
95.04955	3.0
95.08597	5.8
105.03365	11.5
105.07027	7.1
107.04935	2.7
107.08570	10.7
109.06465	2.6
109.10152	18.5
119.08527	2.9
121.06497	6.3
121.10136	7.6
123.11681	5.5
127.11166	5.1
128.06253	2.9
129.06966	3.5
133.10136	11.0
135.08037	3.6
135.11676	9.4
145.10136	2.9
147.08022	5.1
149.05957	4.2
151.03923	4.2
161.06047	5.6
163.03900	5.5
165.05492	5.4
169.06462	3.6
173.09631	3.6
175.03870	2.8
175.07520	21.0
177.05487	12.9
181.04953	3.4
183.11674	3.0
187.07655	2.4
189.05461	5.1
191.07076	5.4
195.02916	10.1
195.06564	3.5
199.07584	3.2
201.05482	3.1
201.09091	2.5
201.12621	4.5
203.06969	23.7
205.08571	8.2
207.06520	5.8
209.08134	2.7
211.11072	3.6
215.07054	4.7
215.10643	4.4
217.08574	39.2
219.06508	29.9
219.10062	6.1
221.08020	12.1
229.08513	13.8
229.12238	8.9
231.10156	2.5
233.08017	31.8
233.11656	4.5
235.09662	9.5
239.10594	4.9
241.08572	20.7
252.24544	2.6
255.06560	6.3
255.10036	3.6
257.11731	15.8
259.09641	6.9
265.12210	2.6
267.10257	3.4
273.14877	27.2
275.12714	30.8
281.11731	11.8
281.15463	2.6
283.13235	20.8
285.11548	5.0
285.14914	12.8
289.14276	5.1
293.13818	2.6
299.13022	2.9
301.14288	3.8
303.15961	24.3
305.15320	3.4
323.16339	27.1
324.17355	2.4
339.19513	34.5
341.17410	90.2
341.21204	21.0
343.18787	7.4
352.66794	2.4
357.20609	17.6
359.18515	100.0
360.19086	2.5
369.20422	2.4
377.17947	5.1
397.23608	23.2
398.23767	3.7
399.24561	3.6
409.23865	6.0
415.24826	14.9
425.26813	2.6
427.24887	3.6
501.25983	2.4
501.36731	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	501.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05428	0.5
55.01855	1.0
55.05483	1.3
57.07053	1.2
59.05012	0.6
60.60830	0.5
60.69012	0.5
67.05486	1.7
69.07057	14.6
71.04970	1.9
71.81548	0.9
73.06516	1.5
79.05473	2.0
81.03388	1.0
81.07022	2.6
83.08585	0.6
85.06527	2.1
91.05450	3.2
93.07027	7.5
95.08572	1.4
99.69600	0.5
105.03375	0.8
105.07033	2.9
107.04927	1.1
107.08571	9.2
109.06503	1.7
109.10121	1.5
117.07001	2.1
119.08576	2.3
121.06481	5.1
121.10124	1.4
123.08006	0.7
123.11701	4.3
129.06940	1.0
131.08522	1.3
133.06459	1.4
133.10123	1.6
135.04355	1.3
135.08072	3.5
135.11679	7.0
139.03813	0.9
141.07010	0.5
143.08490	1.1
145.06540	0.7
145.10141	0.7
147.04384	1.0
147.08031	2.7
149.05905	0.9
149.09572	0.9
151.03882	4.5
151.11165	0.8
153.12836	0.6
155.08531	0.5
157.06465	1.1
159.07962	1.2
159.11690	0.7
161.05969	4.5
161.09540	1.1
163.03886	4.1
163.07533	2.1
171.11699	0.6
175.03891	5.7
175.07504	11.2
177.05475	2.0
177.08969	0.6
181.04961	1.4
185.05922	0.8
187.07500	0.8
187.11156	1.1
189.09084	1.8
190.88487	0.5
191.07007	4.9
193.08682	0.5
195.06546	0.7
197.09520	0.6
199.07481	1.5
201.12744	3.2
203.06992	40.2
205.08549	5.4
209.08055	2.9
211.11201	1.1
214.09898	1.2
215.07043	4.7
215.10602	2.6
217.08571	28.7
219.10089	1.6
221.08054	20.7
223.09583	7.9
229.08670	0.8
229.12219	5.1
233.08089	2.5
235.09618	26.3
239.10695	1.1
241.08546	0.6
242.09363	1.1
245.11882	0.8
247.09622	0.6
254.18718	0.6
257.11694	13.8
263.12677	1.7
267.13818	0.7
271.13065	0.9
273.14813	8.2
275.12738	28.1
281.13794	1.4
285.14941	1.7
289.14340	0.9
291.15872	15.0
293.13782	100.0
294.14105	2.0
305.13809	1.5
325.18158	1.0
327.19476	1.0
339.19510	2.9
341.17410	0.6
343.18988	3.3
355.19125	1.6
357.20517	12.4
361.20047	30.0
375.21725	1.1
395.25797	9.0
397.23862	3.3
410.48492	0.7
413.23135	1.9
413.27600	1.1
415.24738	41.3
416.25226	1.1
427.24600	7.4
431.24115	2.0
433.26236	1.3
445.25500	0.6
483.30826	2.4
486.55542	0.6
501.27011	6.7
501.34482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
57.07055	1.7
61.17781	1.3
67.05470	2.4
69.07057	15.9
71.04976	1.6
71.36641	2.5
72.50884	1.4
79.05475	2.4
81.07039	5.3
85.06561	1.9
91.05473	4.7
93.07018	6.6
95.08601	2.2
98.21290	1.5
104.94975	1.2
105.07012	3.9
107.08580	9.5
109.06499	1.5
109.10144	4.4
117.07008	1.5
119.08540	2.8
121.06499	4.5
121.10117	4.6
123.08037	1.2
123.11701	3.8
124.61578	1.3
125.09536	1.6
131.08568	1.7
133.06461	1.5
135.08046	5.8
135.11671	8.2
147.08018	4.6
151.03870	7.1
157.06461	1.7
159.08083	2.1
161.05980	7.1
161.09573	1.6
163.03923	8.0
163.05124	1.4
163.07594	1.7
167.03368	2.0
171.08112	1.8
173.09659	1.8
175.03920	9.3
175.07510	14.2
181.05005	4.0
183.11685	1.6
185.06009	1.9
187.11073	1.7
189.09120	3.6
191.07022	5.4
199.07524	1.5
201.12775	3.6
203.07005	44.8
205.08603	3.6
209.08023	2.8
211.11116	2.1
213.53110	1.3
215.06999	7.3
215.10651	3.6
217.08586	37.4
219.06654	1.4
219.10191	5.3
221.08028	24.6
223.09555	6.8
229.12169	6.1
231.10223	1.4
233.07997	3.1
235.09621	30.3
239.10683	1.5
257.11667	17.3
271.13519	1.5
273.14871	11.3
275.12762	34.4
277.14444	1.7
285.14935	2.0
289.14328	5.3
291.15875	21.3
293.13794	100.0
301.14313	4.0
305.13660	1.9
314.35287	1.5
327.19473	1.5
339.19257	6.7
343.18958	2.7
353.86343	1.3
357.20590	18.5
359.18411	9.7
361.20056	22.4
375.21512	2.4
377.19696	6.0
395.25623	9.6
397.23605	5.4
413.22568	2.2
413.27417	2.1
415.24744	43.6
427.24789	13.1
433.25824	1.8
466.94556	1.5
501.21964	3.1
501.36035	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.19965	0.7
60.99158	0.6
67.05489	1.4
69.07047	6.2
70.09856	3.6
79.05455	1.5
81.07034	2.3
93.07026	2.1
95.08591	1.0
105.03425	0.6
105.07034	1.6
107.05009	0.8
107.08574	1.5
108.24301	0.6
109.02824	0.9
109.10165	1.2
114.30889	0.7
121.06480	1.1
123.11700	7.5
124.42592	0.6
135.04398	2.2
135.11667	3.0
137.05975	1.6
149.05980	3.1
151.03873	11.4
151.05043	0.9
161.05978	0.7
163.03882	12.7
163.07510	0.9
165.05489	1.2
175.03888	1.4
175.07513	0.8
177.01814	1.3
177.05489	6.3
181.04942	6.3
189.05447	1.9
191.07034	5.0
195.02834	6.0
201.05383	1.3
203.07051	1.2
207.06502	3.7
207.10088	4.2
211.03122	0.9
217.08575	1.4
219.06514	100.0
219.09995	33.9
220.06828	1.3
220.10364	0.7
221.08148	1.2
233.08165	1.8
237.07626	5.2
245.19133	0.7
267.13760	0.8
273.11191	1.7
273.14801	4.0
275.12772	8.4
275.16397	12.8
275.19138	1.0
285.14828	4.0
293.13812	20.1
294.68143	0.8
302.73334	0.7
329.21088	0.9
341.17383	6.8
341.21094	17.0
343.18863	1.0
347.18729	0.8
359.18466	26.8
359.22275	2.2
360.19037	0.7
361.19940	4.5
377.19272	1.9
379.40778	0.6
397.27545	0.9
415.24857	2.9
427.24637	2.1
483.26459	1.1
501.26486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3183
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
53.03939	0.5
55.01862	0.8
55.05489	0.6
57.07058	0.8
59.04995	0.5
65.03928	0.5
67.05495	1.3
69.03423	0.4
69.06707	0.4
69.07059	6.7
71.79817	0.5
79.05476	1.5
81.03407	0.8
81.07043	2.3
83.08581	0.5
91.05468	1.3
93.07026	2.3
95.04959	0.5
95.08598	1.0
105.06998	1.8
107.04936	1.1
107.08588	2.5
109.02866	0.9
109.10144	1.6
111.04380	0.5
117.06998	0.8
119.08547	1.1
119.55694	0.3
121.06498	1.7
121.10123	1.2
123.04408	0.6
123.11691	6.6
130.51653	0.4
133.06474	0.7
133.10085	0.7
135.04395	2.8
135.08005	0.6
135.11679	3.6
137.02309	0.4
137.05992	1.2
139.03877	0.9
145.06491	0.5
147.04352	0.5
147.08022	0.6
149.05951	2.9
151.03889	9.9
159.11630	0.4
161.05986	0.7
163.03894	10.2
163.07573	0.6
165.01822	0.4
165.05463	0.8
165.29384	0.4
173.05968	0.4
173.09636	0.4
175.03833	1.9
175.07433	1.8
177.01842	1.0
177.05432	6.7
179.06853	0.4
181.04935	10.3
189.05434	2.2
191.07011	5.6
193.46767	0.4
195.02885	5.9
199.07530	0.5
201.05460	1.2
201.08986	0.7
201.12770	0.5
203.06987	1.9
205.08615	0.9
207.06531	3.6
207.10162	3.2
215.06984	0.4
215.10585	0.6
217.08568	5.5
219.06520	100.0
219.10002	35.3
220.06836	1.4
220.10461	0.5
221.08057	0.8
225.07541	0.8
229.08607	1.0
229.12051	0.6
231.10054	0.6
233.07985	2.0
235.09732	1.3
237.07552	4.6
243.09846	0.4
245.11630	0.5
257.11685	1.4
264.28156	0.4
267.13870	1.1
273.11661	0.6
273.14792	5.1
275.12778	9.7
275.16403	11.3
285.11493	0.8
285.14774	4.7
287.12781	0.5
291.12219	1.1
291.15576	0.7
293.13803	21.6
323.16489	0.8
329.20990	1.5
339.19601	1.9
341.17352	5.6
341.21146	15.6
342.21310	0.5
343.19012	1.0
357.20627	1.2
359.18454	28.0
359.21841	1.8
360.18750	1.0
361.20084	4.1
377.19455	1.8
397.23331	0.8
397.27670	1.1
413.22739	0.6
415.19733	0.7
415.24844	4.7
427.24713	2.1
451.23395	0.5
453.40292	0.4
469.24191	0.6
483.25656	0.5
501.26428	2.8
501.36450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3205
Annotation	Globostellatic acid L
Peak:m/z	Relative Intensity
55.05493	5.2
57.07021	3.6
67.05493	13.4
69.07061	49.6
69.80355	19.7
71.04982	9.0
79.05474	5.6
81.07046	14.9
83.08610	4.1
87.79084	3.4
91.05486	10.6
93.07025	23.4
95.08588	22.8
97.10143	5.0
99.04427	3.8
105.06996	16.2
105.52446	3.0
107.08597	17.7
109.06485	4.2
109.10146	6.8
113.06008	7.5
117.07005	4.9
119.08567	15.0
121.10157	15.0
123.08055	5.9
123.11723	4.8
131.08549	6.3
133.10121	24.3
135.11696	9.1
143.08548	6.4
145.10072	15.9
147.04362	3.6
149.09625	5.8
155.08553	5.1
157.10114	9.1
159.08018	4.0
159.11664	7.3
161.09689	3.7
163.07556	3.8
165.09126	3.5
167.03407	6.1
169.10100	8.7
171.11728	4.3
173.13269	5.1
175.07542	6.6
175.11169	6.6
177.05472	3.8
183.11609	3.4
185.13242	5.5
187.11244	4.8
189.05363	5.2
189.09207	3.2
191.81566	3.9
195.06535	6.7
195.11705	7.3
201.12794	3.3
203.07022	7.3
203.10661	3.6
205.08545	4.8
211.11128	4.6
213.12634	6.9
213.16443	3.9
217.08568	10.7
219.10040	6.1
221.08081	8.2
225.16418	4.8
227.10748	3.8
227.14229	3.6
229.12196	3.9
235.09554	4.1
239.10605	6.5
239.14256	4.4
241.12234	8.4
241.16022	4.1
243.17505	6.0
245.22047	3.4
253.12151	7.8
257.11584	5.8
259.13275	13.8
265.10696	9.3
267.13733	6.8
269.15384	4.3
271.13300	12.7
275.12772	3.9
277.14435	9.9
281.18857	4.9
283.13278	5.3
289.14304	7.7
293.13885	7.0
295.20877	3.2
301.18063	5.3
305.15540	4.9
309.18417	12.8
311.16382	17.1
323.16391	10.5
327.19510	7.4
329.17551	5.8
339.19461	12.3
341.17340	9.6
351.23245	4.6
357.20480	7.5
361.21255	6.2
367.22208	3.7
377.24744	6.8
379.22595	10.8
381.24332	3.5
389.23254	5.7
395.25833	11.6
397.23703	30.7
409.23596	9.8
413.27032	5.9
415.24796	20.0
447.28839	13.6
457.33209	7.5
465.29944	61.1
483.30997	100.0
501.22760	8.5
501.31827	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13150	1.2
52.03138	1.2
53.03922	1.9
55.01875	2.0
56.35199	1.0
57.07038	1.5
57.09422	1.2
67.05486	2.0
69.07066	8.3
71.79781	1.7
81.03406	1.8
81.07058	3.1
87.36465	1.3
93.07008	3.0
95.04948	2.4
95.08606	3.1
105.03367	14.2
105.07010	1.4
107.08555	2.3
109.02855	4.8
109.10139	3.6
119.08521	1.4
121.06483	1.6
123.11682	3.2
124.27119	1.2
133.10210	1.6
135.11673	3.1
145.10104	1.4
147.07994	2.7
147.19609	1.4
151.03951	1.9
163.00935	1.4
163.03848	4.8
165.01797	1.8
167.03384	2.2
169.01331	1.7
175.03955	1.5
175.07489	3.1
177.01787	7.6
177.05452	1.5
181.04852	1.5
183.02837	2.3
191.03325	10.9
191.07018	2.0
195.02870	54.5
203.06984	10.1
209.04443	12.8
211.49039	1.2
215.06981	2.7
217.08588	4.2
219.10144	4.4
221.08080	6.2
235.09566	3.1
243.06487	6.7
255.06467	26.0
256.06662	1.7
257.11642	1.5
261.07587	3.7
269.08112	10.7
275.09387	1.1
275.12646	3.2
285.14786	3.2
293.08185	2.9
293.13849	10.4
295.09653	4.4
299.12741	2.5
311.12811	7.5
317.13669	1.8
321.11099	4.9
341.20981	3.2
343.18845	1.6
344.26749	1.3
357.20697	2.3
359.18100	1.6
361.20139	2.9
375.21317	1.7
377.17404	100.0
378.17676	3.7
415.24567	3.0
433.23679	5.5
438.86813	1.5
445.23602	4.3
501.36874	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	501.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68718	0.6
53.03942	0.9
55.01865	1.0
55.05487	0.7
57.07072	1.1
67.05493	1.6
69.03393	0.7
69.07058	6.1
71.81864	1.0
71.82217	0.8
75.66926	0.7
76.00933	0.6
79.05486	1.1
81.03403	1.0
81.07052	2.2
91.05476	0.7
93.07021	3.3
95.04944	2.5
95.08623	1.3
105.03379	14.7
105.04461	0.7
105.07025	1.1
107.08607	1.8
109.02893	2.3
109.10159	4.3
113.71484	0.9
119.08587	1.1
121.06496	1.8
123.04385	1.4
123.11682	2.6
133.10162	0.8
135.04419	0.9
135.11668	3.2
145.10146	0.9
147.04300	0.8
147.08046	1.6
163.03862	1.2
165.01811	1.5
167.03387	1.6
169.01306	1.2
177.01831	3.6
177.03207	0.7
177.05498	1.1
182.31662	0.8
182.95592	0.7
183.02907	2.9
191.03366	17.4
191.04948	1.2
195.02873	24.8
201.01999	0.7
209.04428	20.0
215.03557	1.9
217.08650	1.1
218.08958	1.0
219.10143	1.2
220.10484	1.4
221.10692	0.8
229.08517	1.8
231.06522	0.8
231.13824	0.8
233.04463	1.1
243.06500	3.5
255.06500	12.0
261.07571	2.7
265.11057	0.8
269.08054	20.9
285.14899	3.3
293.08093	2.0
295.09570	5.1
299.12814	2.2
309.11169	0.9
317.13638	1.4
321.11215	3.9
331.39655	0.8
341.21030	4.6
343.21567	0.9
357.20734	0.8
358.20667	1.0
359.21399	1.2
361.22867	0.9
365.17545	1.2
376.22134	1.1
377.17441	100.0
378.17648	3.1
398.55389	0.7
431.22449	1.4
433.23688	5.2
445.23700	3.1
501.22433	2.3
501.37051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
55.01858	0.7
55.05491	0.5
56.38775	0.5
62.44919	0.4
65.99273	0.6
69.07062	3.1
71.05805	1.2
79.05421	1.0
81.03419	3.0
81.07030	1.3
91.05485	1.3
93.07033	2.8
95.04936	1.7
95.08584	0.7
105.03376	19.8
107.08564	4.3
109.02853	9.6
109.10112	0.8
119.08604	0.6
121.53992	0.6
123.11687	4.3
135.11652	6.7
149.02325	0.7
151.03914	0.8
163.03886	2.7
165.01820	3.9
177.01793	16.0
181.04941	1.7
183.02829	2.7
183.65730	0.5
191.03250	0.7
195.02864	100.0
196.03233	1.2
205.08658	0.6
217.08499	1.3
218.04387	0.9
219.10175	6.1
231.06519	0.8
233.07982	0.7
243.06522	7.2
249.07805	0.6
255.06487	61.3
256.06873	0.8
269.08197	0.6
281.11615	1.8
285.14758	1.4
299.12769	1.9
309.11200	2.2
311.12723	12.1
323.12592	1.0
341.21146	6.0
359.16516	1.4
359.22113	1.5
365.17389	0.6
375.15866	0.8
377.17422	78.4
378.17566	2.1
431.22107	2.0
433.23550	3.4
445.23874	3.8
518.53992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01866	0.5
55.69368	0.5
57.61585	0.5
65.03916	0.5
67.05473	0.8
69.07060	5.0
71.80977	0.6
79.05460	0.7
81.03398	3.5
81.07034	1.1
91.05481	0.9
93.07053	3.1
95.04938	2.3
95.08591	1.1
105.03381	20.7
105.06990	0.6
107.08581	4.0
109.02179	0.6
109.02872	7.9
109.10139	1.7
116.12405	0.4
121.02883	0.7
121.10165	0.6
123.11695	4.6
135.04341	1.1
135.11679	8.2
140.05096	0.5
141.01781	0.5
147.11743	0.5
149.02283	1.3
153.53256	0.5
163.03850	2.3
165.01840	3.2
169.01259	0.9
177.01813	18.7
177.05438	1.4
178.05840	0.6
181.04956	1.7
183.02921	3.3
189.14108	0.4
191.03352	0.5
192.47560	0.5
195.02872	100.0
196.03192	1.6
217.08557	1.3
218.08960	0.9
219.10213	7.9
220.10509	0.7
230.08917	1.1
231.06555	1.2
231.09059	0.4
231.10127	0.5
232.10391	0.9
233.08167	0.7
236.10110	0.6
243.06476	6.7
250.11707	0.6
255.06500	75.0
256.06790	1.5
257.08029	0.6
267.13712	0.6
269.08020	0.7
281.11664	1.2
283.13123	0.5
285.14902	3.1
286.15094	1.4
287.15402	1.7
299.12775	1.8
309.11221	2.1
311.12744	13.8
312.13208	0.5
323.12830	1.9
340.19800	0.9
341.21103	7.8
342.21460	2.1
343.21732	3.0
357.20654	0.7
358.21008	3.6
359.16284	2.3
359.21191	6.0
365.17731	0.6
377.17438	92.6
378.17624	4.9
379.18756	0.8
389.17184	0.6
391.52545	0.5
431.22064	1.2
432.22864	0.6
433.23621	4.6
445.23584	4.2
446.23944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01863	1.3
55.05487	0.6
56.37355	0.4
65.03951	0.4
67.05484	1.3
69.07064	6.8
70.42381	1.8
74.09693	0.5
79.05478	1.2
81.03394	1.8
81.07032	2.8
91.05451	1.1
93.07030	4.6
95.04929	2.9
95.08571	1.1
98.21360	0.5
101.37444	0.4
105.03376	18.7
105.07011	0.7
105.77111	0.4
107.08577	2.9
109.02860	4.6
109.10133	2.3
115.05536	0.4
119.08563	0.7
121.02833	0.5
121.06469	1.3
121.10120	1.0
123.04408	1.6
123.11680	5.4
129.06982	1.1
133.10107	0.9
135.08087	0.9
135.11667	4.0
141.01793	1.2
141.72806	0.4
145.08527	0.4
147.08025	1.5
147.28676	0.5
149.02335	0.9
149.13278	0.4
151.03911	0.6
160.16684	0.4
163.03862	1.6
165.01813	5.3
166.79276	0.4
167.03381	1.6
169.01346	1.1
175.07390	0.4
177.01788	7.6
177.03195	0.6
177.05368	1.1
179.03354	0.7
181.04973	0.8
183.02864	3.9
191.01611	0.5
191.03371	17.0
195.02863	37.4
197.06015	0.5
201.05426	0.5
203.03455	0.5
203.06999	0.8
205.04907	1.0
209.04420	14.6
215.03412	1.8
215.06985	0.9
217.04936	1.2
219.03009	0.4
219.06436	1.2
219.10196	1.4
221.08109	1.1
229.04912	1.0
229.08595	1.0
231.06593	1.0
233.04434	0.7
235.06024	0.5
243.06483	10.4
245.08012	1.0
249.07521	0.5
255.06487	15.2
257.08005	2.2
261.07443	2.3
269.08047	15.9
281.11633	0.8
283.09570	0.5
285.14752	2.3
293.08090	2.4
295.09528	3.5
297.11246	0.8
299.12711	2.9
309.11157	0.9
311.12708	4.2
317.13950	1.1
321.11127	4.7
339.19519	0.7
341.21118	3.8
343.19067	0.5
349.14365	0.5
359.16501	0.5
365.17459	0.9
377.17416	100.0
378.17859	3.1
431.22205	1.3
433.23636	5.7
445.23801	3.5
501.29221	0.5
501.66910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03941	2.1
55.01856	0.8
55.05489	0.7
57.07046	0.6
67.05486	1.7
69.07062	4.9
70.38796	0.4
71.81303	0.6
79.05457	1.2
81.03403	2.5
81.07039	2.4
91.05463	1.5
93.07037	3.6
95.04955	4.7
95.08544	0.7
105.03375	46.7
105.04486	1.4
105.06978	0.9
106.03700	0.8
107.04906	0.6
107.08561	3.0
109.02873	5.3
109.10111	2.3
117.06953	0.6
119.08537	0.7
121.02850	0.6
121.06509	0.9
121.10141	0.9
123.04404	0.9
123.11700	4.3
129.06984	0.7
133.06487	0.6
133.10132	1.2
135.04375	0.7
135.11699	4.6
141.01784	1.2
143.08620	0.5
145.10141	0.7
147.08061	0.8
151.59239	0.5
163.03856	1.7
165.01826	3.0
167.03349	1.3
169.01297	1.1
177.01801	8.7
177.05463	0.9
179.03369	0.9
181.04941	1.1
183.02876	2.9
187.07428	0.4
191.03362	11.7
195.02863	60.8
196.03273	0.6
197.04517	0.5
201.05556	0.6
203.06920	0.6
205.04919	0.7
209.04419	11.5
215.03311	1.1
215.06937	0.9
215.15189	0.5
217.04897	0.6
217.08565	0.9
219.06490	0.6
219.10126	4.5
229.04825	0.6
229.08621	1.2
231.06461	0.9
235.06093	0.5
238.78337	0.5
243.06483	7.6
255.06480	32.9
257.08002	1.8
261.07574	2.6
267.13962	0.9
269.08014	11.7
283.09308	0.7
285.14722	3.1
293.08072	1.3
295.09537	3.5
299.12766	2.5
309.11069	0.9
311.12701	11.3
317.13724	1.7
321.11105	3.5
323.12695	1.3
323.20148	0.7
335.12680	0.8
339.19278	0.7
341.20996	4.5
357.20526	0.6
359.15973	0.8
365.17255	0.7
377.17407	100.0
378.13660	0.5
378.17764	2.7
379.18958	6.0
389.17453	1.0
397.23645	0.5
405.58948	0.5
415.24631	1.0
429.53329	0.5
431.22067	1.3
433.23688	5.8
445.23666	9.0
490.99335	0.4
501.29868	1.9
501.35880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73884	0.4
55.03600	0.4
55.05480	0.6
67.05486	0.7
69.07077	0.7
70.28188	0.9
70.28616	1.6
81.07024	1.0
91.05474	1.0
93.07005	0.7
95.04945	0.6
95.08609	0.5
102.21044	0.4
117.07007	0.5
121.10120	0.6
130.78938	0.4
134.91675	0.4
176.26477	0.5
457.23306	0.5
483.23276	1.1
501.22430	100.0
502.22714	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	501.2452
Annotation	Travoprost
Peak:m/z	Relative Intensity
54.64282	0.5
56.37799	0.5
65.40322	0.5
67.05505	1.6
69.07062	0.8
69.59248	1.5
69.59660	3.8
79.05473	0.9
81.07036	2.2
85.02883	0.5
91.05457	0.9
93.07044	1.2
95.04961	0.8
95.08599	0.9
97.17290	0.5
105.07018	2.0
105.76218	0.5
106.39629	0.5
107.08594	1.0
109.10175	0.7
117.06954	0.8
117.75238	0.5
119.08587	1.1
121.10130	0.8
131.08562	0.7
133.10156	0.8
135.08009	0.6
145.10147	1.0
159.11705	0.6
175.07272	2.8
231.09877	0.8
232.07063	0.6
232.10574	1.0
247.13068	2.2
257.15262	0.6
260.43265	0.6
277.10477	1.0
281.11508	2.1
288.13385	1.0
299.12527	9.5
301.14041	0.9
311.19843	1.1
315.11844	1.4
320.52829	0.5
327.12109	1.3
344.12271	4.0
351.19156	3.0
353.17303	1.4
357.20364	2.1
359.39990	0.6
361.73102	0.6
370.17319	2.5
371.18091	3.4
395.18411	2.0
415.17233	2.1
421.23587	2.7
439.24536	29.1
457.25629	3.9
465.12527	0.6
483.23514	100.0
484.23807	1.9
501.24490	40.8
501.32098	2.5
502.24594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03143	0.2
55.01851	1.0
55.02094	0.3
57.03435	1.1
59.04986	0.2
64.21548	0.2
69.03411	0.9
69.07050	0.3
70.06567	0.4
70.46926	0.5
70.47321	0.6
71.01344	0.3
73.02892	1.0
81.80186	0.2
85.02904	2.0
97.02866	0.8
107.08562	0.3
115.03926	0.6
118.94695	0.2
127.03883	0.3
133.04980	1.2
143.73280	0.3
145.04922	0.4
153.57683	0.2
163.92834	0.2
169.34512	0.2
191.03479	0.5
192.04135	0.8
205.04961	0.4
207.06505	100.0
208.06830	0.9
209.04399	0.3
303.08618	0.3
325.57944	0.2
369.11789	8.9
391.41663	0.2
447.08160	0.2
501.09677	1.8
501.17117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2237
Annotation	Kopsidine B
Peak:m/z	Relative Intensity
53.63119	0.5
55.05484	0.7
66.42960	0.5
66.60434	0.4
67.05492	0.8
69.07047	1.6
70.34835	0.5
70.85909	1.1
70.86308	1.2
73.51829	0.5
73.86987	0.5
79.05470	0.7
81.07043	1.1
91.05488	0.6
92.64319	0.6
93.07034	1.0
95.08590	0.7
101.20209	0.5
105.07066	0.6
107.08660	0.5
109.10152	0.5
119.08588	0.6
123.88589	0.5
129.07018	0.6
135.11705	0.6
146.86932	0.5
210.60655	0.6
224.77092	0.6
501.22400	100.0
502.22824	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	500.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19518	0.5
57.07080	2.5
61.13192	0.4
67.05482	0.6
69.07067	3.1
71.82092	0.7
72.08171	0.5
74.09711	100.0
75.10030	0.6
79.05491	0.6
81.07021	1.0
83.04959	0.5
85.06554	0.5
85.70290	0.4
91.05523	0.7
93.07032	2.0
95.08575	0.5
105.03413	0.6
105.13279	0.4
107.08569	1.4
109.10145	1.0
119.08592	0.5
121.06502	0.7
123.11729	0.7
134.90726	0.5
135.11705	2.1
142.89706	0.4
145.10120	0.6
149.05869	0.5
153.05389	0.8
163.07722	0.6
165.05492	1.4
173.09692	0.5
175.07593	1.3
177.05511	0.4
177.09056	0.9
179.07059	0.7
197.59933	0.4
201.12759	0.7
203.07077	0.5
205.08684	1.1
217.08583	5.2
219.06526	0.8
219.10136	4.2
221.08165	0.5
225.11415	0.5
229.12186	0.8
231.10284	0.6
233.11815	1.2
234.39072	0.4
237.11218	3.8
239.10847	0.6
251.12820	2.0
257.11713	2.3
273.14926	2.8
275.12769	6.0
287.16415	5.6
303.15985	1.8
304.71106	0.5
339.19540	2.4
341.21149	1.6
343.18896	0.9
357.20581	1.1
359.18411	0.7
359.22150	18.1
360.22412	0.7
500.26895	0.5
519.03540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18641	0.4
56.96553	0.9
65.03922	0.5
69.03418	1.2
71.80489	0.6
75.94540	0.4
84.04472	1.1
85.02883	1.1
89.03893	1.4
91.05460	5.6
92.09585	0.4
97.02879	0.5
98.97559	1.4
102.05545	0.4
107.04927	0.5
116.98572	0.8
117.03381	1.4
119.04925	19.0
120.08116	0.6
127.03886	0.8
128.98605	0.7
130.04913	0.5
135.04388	3.1
136.04750	0.4
137.05960	0.5
145.02835	1.6
147.04387	100.0
148.04752	1.2
148.05928	0.4
161.01245	0.6
163.03883	15.9
164.04228	3.1
169.81596	0.4
177.00661	0.7
219.01633	0.6
223.01073	0.4
227.84460	0.4
237.02791	2.1
291.08530	0.6
309.08960	1.4
321.14502	0.8
339.15509	2.3
501.14438	0.5
501.20993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01860	3.0
55.05502	21.3
57.03428	23.9
57.07071	2.6
58.16762	1.4
65.03931	3.1
67.05142	3.0
67.05497	51.9
69.03419	3.7
69.07049	14.9
70.99635	4.6
71.01328	3.9
71.04987	8.0
71.36162	1.5
77.57595	1.7
79.05480	51.4
81.03406	55.7
81.07043	39.6
83.04968	18.4
83.08604	21.0
85.02890	15.9
85.06514	3.4
86.09681	1.6
91.05469	43.7
92.05796	1.8
93.06440	2.5
93.07033	53.2
95.04955	22.8
95.08585	14.8
97.06532	11.7
97.10149	10.8
99.08099	2.0
104.82990	1.7
105.07019	22.1
107.04935	7.7
107.08584	33.3
109.06509	4.7
109.10139	6.3
111.04413	2.5
111.08087	8.0
117.07021	9.2
119.08566	19.2
121.06478	3.3
121.10133	15.2
123.08060	3.6
129.07002	10.2
129.39771	1.7
131.08531	10.6
133.06480	4.0
133.10132	15.8
135.08116	2.1
135.11678	51.0
137.06018	1.7
137.09590	3.6
139.03860	3.5
142.07657	1.6
145.06535	2.2
145.10124	9.9
147.08000	2.3
147.11639	13.1
149.09605	4.7
153.12689	2.3
157.10121	10.5
163.11174	6.0
175.11174	11.4
181.12163	14.2
184.07350	5.1
193.12222	38.4
199.13275	2.2
211.11237	3.4
211.13261	63.1
225.20596	1.7
233.15292	2.2
255.15884	100.0
256.16284	2.1
267.15903	18.8
271.05746	1.7
285.16940	40.8
414.08395	2.2
421.25714	2.0
447.27356	32.8
465.28424	85.0
466.29163	2.8
500.30798	5.1
501.24545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.05510	2.6
57.03426	1.8
61.02923	2.4
61.69566	0.9
67.01867	3.5
67.05491	5.8
69.03430	8.2
69.07069	7.8
70.06592	1.9
71.06370	2.7
71.08598	1.0
73.02912	1.1
79.05486	3.5
81.03413	2.7
81.07050	32.1
81.07541	1.5
83.08617	3.1
85.02900	27.0
87.14176	0.9
91.04007	0.9
91.05466	2.7
93.07029	4.1
95.08594	8.2
97.02894	5.9
97.10167	2.7
103.05476	1.0
105.07033	2.2
107.04945	21.5
107.08557	1.1
109.02885	3.2
109.10149	23.7
111.11697	1.5
115.03961	1.2
119.04923	1.0
119.08574	1.3
121.06512	2.7
121.10100	7.5
123.11691	10.2
127.03907	2.6
133.10112	1.7
135.04402	98.4
135.11707	2.6
136.04710	1.1
137.05951	4.9
139.03903	1.2
143.08591	2.1
145.04948	2.8
145.06476	1.4
145.10138	2.1
147.04391	6.6
147.08035	1.1
149.05937	6.4
149.09673	1.0
153.05463	10.3
155.08607	1.6
157.10118	1.1
158.07256	1.6
159.04364	1.3
159.08029	2.9
161.05945	6.7
163.03894	100.0
163.07565	4.0
165.05479	1.3
171.08054	3.5
173.05989	5.7
173.09648	4.0
175.07532	32.8
177.05489	9.9
177.09096	6.7
181.04941	48.0
187.07532	9.6
189.05466	3.4
189.09113	9.8
191.06996	1.4
193.04976	3.0
193.08560	2.2
195.06427	2.2
197.09627	1.2
201.05479	2.8
201.09088	25.3
202.09583	1.0
203.07079	2.9
205.04903	9.7
205.06300	0.9
207.06505	7.9
209.08186	2.5
215.07030	14.6
215.10652	4.4
217.08476	2.0
219.06406	4.7
221.08069	52.9
224.48737	0.9
229.08562	20.2
229.15799	1.4
233.08060	9.1
235.09718	3.3
243.10136	3.2
247.09625	12.8
257.15344	43.2
285.14828	61.9
286.15302	1.9
298.80035	1.1
303.15887	55.5
304.16217	1.6
383.13144	1.4
482.93112	1.0
500.22766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01870	3.9
55.05496	0.9
57.03423	2.1
61.02896	1.9
67.05482	3.3
69.03419	7.9
69.07051	0.9
70.06572	1.8
70.09854	2.1
70.10271	1.7
71.04977	2.2
73.02898	1.1
77.12163	0.6
79.05488	3.9
81.03409	2.6
81.07044	13.4
83.04968	3.1
83.08592	1.0
84.08141	0.8
85.02892	14.8
85.06521	2.2
91.05447	1.1
93.07026	3.0
95.04955	3.2
95.08597	15.5
97.02876	5.0
97.06516	59.6
99.04447	1.4
99.08070	0.8
101.06006	1.1
104.89377	0.6
105.07028	2.9
107.04964	0.6
107.08585	2.1
109.02857	2.0
109.06519	3.7
109.10085	0.6
110.07130	1.9
111.04403	2.5
111.08065	2.7
113.05976	4.3
116.07087	0.8
119.08581	0.6
120.08082	1.1
121.06474	1.0
123.04411	5.1
123.08051	20.7
126.09137	0.8
127.03904	5.4
127.07571	0.9
130.04988	0.7
133.10072	1.8
135.08032	0.9
135.11693	0.8
137.02319	22.0
137.03354	1.1
137.05952	0.9
139.03850	1.1
141.09082	100.0
142.09439	1.2
145.04951	6.8
145.10139	0.7
147.04395	1.2
147.11569	0.6
151.11221	0.8
155.03386	5.8
155.06828	0.8
155.42917	0.7
157.10086	0.9
159.06538	4.1
159.10147	29.2
161.09619	0.9
163.03889	1.2
163.05969	2.1
163.07414	0.7
163.11125	1.3
167.03416	2.3
167.05283	0.8
173.08070	1.5
175.11159	2.5
180.08690	0.9
181.08585	1.1
185.08051	1.1
193.12210	3.3
199.09602	6.3
202.49599	0.6
203.10544	0.8
205.08556	3.7
211.13318	3.6
221.11708	1.5
231.10097	0.7
239.12654	3.8
245.13803	1.6
245.41928	0.6
257.13821	8.1
259.12976	0.7
267.12320	1.5
275.14853	8.0
285.13336	0.7
303.14368	0.9
320.15222	3.4
321.15430	3.0
338.16583	1.1
468.17328	0.6
482.20267	0.9
500.21536	1.0
500.29935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55195	0.5
69.03418	1.1
69.76409	1.9
69.76844	1.8
81.07034	1.0
83.04952	0.5
85.02893	1.5
91.05488	0.5
94.04184	1.0
97.02882	0.8
97.06512	0.6
105.07027	0.8
109.06513	1.0
111.04448	0.8
113.05952	0.5
119.04906	0.5
122.03637	2.6
122.04427	0.5
123.04412	0.8
135.04376	0.7
135.21019	0.5
137.02336	1.2
137.05962	100.0
138.06308	0.5
141.09093	1.0
145.04907	0.6
146.08110	1.3
147.04413	2.2
149.05989	0.9
151.07489	0.7
153.06937	0.8
159.06561	1.1
163.03903	3.0
164.04233	0.7
175.11180	0.7
179.06989	1.2
181.06447	1.2
193.12276	0.5
211.13193	0.9
213.09035	1.1
239.12865	0.7
241.08600	1.0
253.08656	0.8
257.13800	2.1
273.11246	4.3
273.78391	0.6
275.14841	1.8
285.11102	2.1
303.12207	2.1
440.51794	0.5
500.14536	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	500.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01860	3.3
55.05497	3.4
57.03425	1.9
57.07064	1.3
61.02907	1.9
65.03928	1.5
67.05495	9.1
69.03416	28.5
69.07063	3.9
70.06596	1.9
70.30125	2.3
70.30525	1.8
71.01350	2.0
71.04976	9.2
73.02879	1.5
73.06570	1.1
73.76321	1.0
79.05478	10.0
81.03394	3.0
81.07045	28.1
83.04967	28.1
83.08620	2.1
84.04502	2.0
85.02891	15.2
85.04298	1.1
85.06535	18.4
86.09713	1.4
87.04456	2.2
91.03938	1.4
91.05467	6.6
93.07029	19.8
95.04954	16.7
95.08581	12.3
97.02862	6.4
97.06510	9.9
99.04471	2.8
99.08092	3.5
99.66559	1.1
101.06029	4.8
105.07021	20.9
107.04933	2.1
107.08590	16.0
109.02864	1.6
109.06507	35.0
109.10143	3.5
111.04430	3.4
111.08083	4.5
113.05988	33.7
115.03922	7.5
115.07571	2.0
116.07082	1.3
117.07011	2.6
119.08575	7.9
120.08069	1.8
121.06506	6.1
121.10132	3.0
123.04408	3.7
123.08044	17.8
123.08887	1.6
123.11705	2.5
123.97812	1.1
125.05968	1.9
125.09673	1.6
127.03902	5.3
127.07536	9.0
129.05457	3.7
129.06972	1.9
131.08542	5.6
133.06477	4.0
133.10106	15.6
135.08064	2.9
135.11661	3.8
137.02327	1.2
137.05959	6.3
137.13261	1.1
139.03874	2.6
139.07498	2.5
141.05437	8.1
141.09084	7.4
142.07758	3.1
143.08545	2.7
143.26093	1.1
145.04971	3.5
145.06456	1.1
145.10129	5.3
147.04469	1.3
147.11656	13.9
148.06029	1.6
149.09612	2.5
149.13335	1.5
150.05460	1.4
151.07544	2.1
151.11166	6.6
153.12698	1.7
155.06976	5.7
157.10104	10.8
159.06512	43.2
159.10112	1.0
159.11694	2.9
161.08138	0.9
161.09573	6.0
163.03923	2.5
163.07497	1.1
163.11101	7.9
164.04309	1.0
165.12755	4.4
171.10153	1.8
173.08086	13.1
175.11166	27.8
177.12729	2.5
179.10609	2.5
180.08607	5.1
181.12209	1.4
185.08080	12.8
185.09630	4.3
191.10776	1.1
193.12215	34.6
195.13844	3.0
199.09637	3.9
203.10652	9.1
205.08649	1.6
211.13264	35.4
213.09053	1.2
213.11107	1.3
221.11710	16.2
229.14284	8.2
239.12764	42.9
240.13023	1.2
249.11188	2.8
257.13803	100.0
267.12244	17.6
275.14847	79.4
276.15317	1.7
285.13156	5.3
303.14240	3.1
320.14969	4.9
321.15405	31.7
322.15601	1.2
448.70834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01844	0.7
55.63924	0.4
56.05002	1.4
56.28380	0.3
56.49109	0.3
57.03392	0.6
57.07041	0.4
58.28668	0.3
59.88685	0.3
61.02903	0.7
65.03890	0.7
68.04975	0.7
69.03408	2.9
70.06552	1.4
71.04967	0.5
71.65810	0.4
71.66151	0.5
73.50459	0.3
74.02408	0.9
81.03410	2.4
81.07030	0.4
82.06552	0.7
85.02893	5.5
87.04456	0.6
91.05443	0.9
93.03364	0.5
95.04921	0.7
97.02900	1.7
105.06971	1.0
109.02838	0.9
111.04409	1.2
114.05482	1.1
119.04910	0.6
121.10101	0.4
124.07585	0.5
127.03859	1.3
131.08517	1.3
137.02301	6.4
139.03867	2.7
142.07712	0.5
143.08548	0.5
145.04965	0.6
145.06424	0.5
147.04398	2.9
155.03357	4.0
157.06447	0.5
157.10071	1.1
159.08049	1.0
161.05916	0.7
163.03757	0.4
163.07524	1.3
167.03395	2.9
167.08537	0.9
170.07182	0.5
171.08008	2.1
173.05988	0.4
173.09544	0.4
174.06760	0.7
175.07487	1.4
177.05463	0.3
177.09038	1.3
183.08022	0.5
185.09596	3.8
187.07538	4.8
189.05588	0.4
189.09013	0.6
193.08513	0.8
193.10164	0.5
195.08054	0.6
195.11644	0.8
199.07460	0.8
199.11165	0.5
201.09103	5.1
202.08623	2.5
203.10643	0.4
205.08551	7.6
207.10167	0.6
208.08748	1.0
211.11201	2.2
213.09077	9.0
213.12451	1.7
215.10638	1.2
217.08527	0.6
219.10139	9.8
223.11147	4.7
227.10745	0.5
228.10132	0.9
229.12238	2.0
231.10130	13.0
231.13699	0.7
233.11784	0.6
239.10690	0.6
240.13841	1.1
241.12186	3.0
248.16479	0.9
249.09322	0.4
256.13245	1.3
257.11514	0.9
258.14886	3.6
259.13190	4.1
267.16019	0.7
274.14334	13.1
274.17310	0.7
275.12634	0.4
276.15903	3.9
285.16913	1.2
299.07565	0.8
302.13815	0.9
320.14880	100.0
321.15164	1.2
338.15909	11.0
482.20126	20.2
500.21182	15.2
501.21222	0.4
501.97705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3411
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
50.00704	1.0
50.27579	1.1
50.80234	1.0
53.03912	1.1
55.01846	1.6
55.05482	1.5
56.55216	0.9
57.03418	2.3
57.07068	7.3
67.05496	2.7
69.07055	14.7
70.04193	2.3
70.04601	6.7
79.05457	3.3
81.07041	8.1
91.05478	3.3
91.69164	1.0
93.07021	10.0
95.08588	5.4
98.20721	1.2
105.07006	4.1
107.04929	1.8
107.08562	9.7
109.06536	1.3
109.10150	5.1
119.08557	1.9
121.10135	4.3
123.11685	24.3
128.06219	1.5
131.08553	1.9
133.10115	2.9
135.04398	5.8
135.08081	6.5
135.11661	16.7
143.08492	2.5
145.06433	1.7
147.08060	2.5
147.11658	1.4
149.05937	1.4
149.09602	5.0
151.03854	8.1
157.14810	1.1
161.05981	3.4
161.09573	4.5
163.03877	21.2
165.05502	1.3
171.08049	2.3
175.03818	1.3
175.07477	12.6
177.05424	4.0
179.03279	1.4
181.04910	9.0
189.05519	1.2
189.09090	11.2
191.07047	4.8
199.07503	4.3
201.05576	1.4
205.08568	6.0
207.10155	3.3
211.11125	1.1
213.12837	1.3
217.08560	100.0
219.10117	52.8
223.09633	5.0
229.08527	1.5
231.10019	1.8
235.09602	56.4
238.08891	0.9
243.10242	1.8
257.12030	1.1
267.13885	4.7
271.13287	1.9
273.14838	6.9
275.16507	2.0
279.15863	2.2
283.13159	1.8
285.14810	20.8
289.14127	2.0
291.15857	49.4
339.19455	3.9
341.21060	78.4
342.21442	1.8
345.20206	1.2
357.20532	80.1
358.21014	1.7
359.22000	3.9
375.21677	4.1
395.25937	1.2
411.25186	4.3
413.26782	9.0
425.26831	14.4
501.48740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35061	0.5
55.01872	1.7
55.05490	1.4
57.03424	2.0
57.06832	0.7
57.07072	9.5
67.05515	3.1
69.03421	1.5
69.06685	0.8
69.07063	15.9
69.57560	1.1
69.57967	5.6
79.05482	2.2
81.06599	0.8
81.07052	10.8
83.01333	0.9
83.08521	0.7
84.52251	0.7
85.06506	0.7
91.05451	2.5
93.07045	5.7
95.04958	1.2
95.08590	4.4
97.23663	0.6
98.20596	1.3
105.07020	3.6
107.04958	1.7
107.08587	7.0
109.10143	2.8
117.07024	0.8
119.04901	1.1
119.08577	2.4
121.06507	1.1
121.10142	4.5
122.10873	0.8
123.08054	0.7
123.11698	38.8
128.06233	1.2
129.06987	1.0
131.08562	2.2
131.64877	0.5
133.06474	1.7
133.10110	2.3
135.04405	6.4
135.08060	5.2
135.11679	8.7
137.02327	1.2
137.05940	0.6
137.13199	0.8
141.05351	0.6
143.08553	2.0
145.06461	1.7
145.10088	1.2
147.04362	1.3
147.08031	2.1
147.11688	0.9
149.05949	1.2
149.09595	6.6
151.03903	8.8
153.05510	0.9
159.08127	1.1
161.05972	2.7
161.09579	5.7
163.03893	28.6
163.07524	2.7
165.05455	7.6
171.08063	2.9
173.05925	1.0
173.09540	0.9
174.06734	1.2
175.03925	2.5
175.07542	11.8
177.05492	4.8
177.09125	2.1
179.03352	1.4
181.04945	21.8
187.07484	0.8
189.05457	1.2
189.09079	12.8
191.07033	2.6
197.04543	0.7
199.07532	4.3
201.05463	0.7
201.09087	1.9
203.07056	0.7
204.06567	0.8
205.08577	9.3
207.10223	5.2
213.09087	0.8
215.06927	0.7
217.08588	100.0
218.08945	1.5
219.10146	89.2
220.10612	0.9
221.11734	2.3
223.09618	10.0
225.09065	0.9
225.12680	1.0
229.08630	1.8
231.10199	1.4
235.09627	62.1
236.10022	0.9
243.10202	1.2
243.13861	0.7
245.11671	0.9
250.26277	0.7
255.13457	0.7
257.11856	1.0
267.13684	3.6
267.89767	0.6
271.13303	1.9
273.14856	10.3
275.16391	25.8
279.15942	1.1
281.11768	0.7
283.13208	0.8
285.14835	13.6
287.16519	3.0
289.14322	5.4
291.15891	60.4
297.14716	0.6
303.15854	2.3
305.17502	1.5
329.21057	2.3
339.19595	2.7
341.21094	44.7
342.21423	1.6
345.20587	3.8
355.18643	0.9
357.20581	54.1
359.22137	34.8
360.22449	1.4
363.21829	0.9
375.21643	27.7
376.22043	1.0
397.27469	6.9
411.24957	1.4
413.26886	11.3
425.26874	5.7
429.30219	0.9
431.28119	3.1
443.27786	3.0
481.33023	1.8
499.34091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
55.68764	1.1
57.03431	1.4
57.07072	9.2
67.05499	2.4
69.07059	20.6
69.34357	1.3
69.73471	3.0
69.73880	7.7
81.07037	4.4
83.20343	1.4
84.95757	1.2
91.05458	2.6
93.07017	10.0
95.08595	1.9
105.06985	2.1
106.52037	1.4
107.08579	3.4
109.10130	7.9
117.07051	1.7
119.08518	1.5
121.06483	1.7
121.10120	2.6
123.11689	8.6
135.04315	1.4
135.08031	3.0
135.11714	6.4
139.03836	1.6
145.06398	1.9
147.08031	2.0
149.09589	2.4
151.03859	10.1
153.12863	1.5
155.08510	1.7
161.05954	2.4
161.09637	2.3
163.03886	4.9
163.07463	2.1
165.05467	4.7
171.08046	1.6
175.03929	2.1
175.07541	5.4
175.11221	1.6
177.05447	19.3
177.09117	2.3
181.04889	4.3
187.07558	2.1
189.05580	2.1
189.09065	6.3
191.07008	4.1
199.07608	1.8
201.05457	4.2
203.07108	2.4
203.10701	1.5
205.08546	9.2
207.10080	2.2
213.09088	1.9
215.06975	1.9
217.08582	32.2
219.06506	3.5
219.10135	4.6
221.11775	1.7
223.09644	5.1
227.10645	1.8
229.08578	28.8
231.10123	26.0
233.11731	4.4
235.09624	5.6
241.08611	3.7
241.12271	1.9
243.10089	4.0
249.11157	8.7
255.10181	4.1
257.11679	4.9
259.13220	2.8
267.13708	2.6
269.11749	1.4
271.13214	2.9
273.11130	2.9
273.14822	8.5
275.12845	1.6
283.13260	11.8
285.11691	2.7
285.14841	49.8
291.15839	4.9
301.14359	5.1
303.15756	3.1
339.19467	22.9
341.21094	66.1
345.20630	2.1
357.20554	100.0
359.22070	33.2
375.21579	38.6
380.88971	1.5
395.25684	1.6
411.25333	2.8
413.26822	18.3
425.26697	13.2
431.27911	6.6
443.27939	6.1
481.32883	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03438	2.4
57.07063	7.5
65.25479	1.6
67.05499	3.2
69.07059	22.0
71.77592	2.4
79.05494	3.1
81.07043	4.8
85.18437	1.4
90.07095	1.5
91.05459	2.0
93.07040	9.4
95.08619	3.6
105.07046	3.0
107.08595	4.9
108.00333	1.5
109.10141	9.8
119.08638	1.6
120.93082	1.5
121.06498	1.7
121.10081	1.7
123.11705	6.9
131.08490	1.7
133.10188	2.6
135.08020	2.3
135.11700	8.6
147.07950	2.5
151.03893	6.9
161.05966	1.8
163.03889	6.1
165.05515	4.2
175.07570	5.5
177.05463	17.4
181.04953	2.7
185.09653	1.8
187.07495	3.6
189.05429	2.7
189.09090	9.3
199.07552	2.4
201.05522	1.9
203.07104	3.4
203.10684	2.3
205.08577	10.4
207.10161	3.2
213.09174	2.3
215.07011	1.7
217.08574	28.0
219.06631	1.5
219.10202	7.0
223.09668	5.8
229.08597	26.9
231.10132	21.0
233.11771	3.9
235.09657	8.4
241.08505	3.9
241.12308	2.9
243.10147	4.1
249.11235	6.7
255.10359	2.5
257.11661	3.6
267.14001	1.7
273.11176	1.8
273.14880	9.7
275.12677	1.8
283.13211	9.4
285.14807	53.0
289.14417	2.5
291.15918	5.6
297.14914	2.1
301.14301	4.5
303.16110	2.6
339.19513	23.1
341.21075	62.8
357.20554	100.0
359.22156	61.8
375.21646	84.8
376.22137	2.9
411.25198	6.9
413.26788	19.1
414.76263	1.7
425.26904	12.6
431.27908	13.5
443.27866	11.4
481.33478	2.1
499.34186	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.07057	10.5
62.43069	3.0
64.34980	2.7
65.45634	3.1
67.05481	5.7
69.07065	26.1
71.04980	3.4
79.05492	3.3
81.07035	11.7
91.05451	5.1
93.07013	8.5
95.08615	5.7
98.21450	7.9
106.58566	2.6
107.08562	8.3
109.10110	7.7
121.06494	5.7
121.10130	5.5
123.11699	35.7
135.04404	8.4
135.08025	4.9
135.11647	6.8
137.11122	2.8
145.06502	3.4
145.10124	2.9
147.08023	4.6
149.09628	4.6
151.03877	9.6
161.05972	4.5
161.09607	4.8
163.03871	32.2
163.07426	3.1
171.07993	2.9
175.03961	4.0
175.07526	13.0
177.05408	6.3
181.04968	18.3
187.07417	4.0
189.09125	12.2
191.06960	7.4
199.07417	4.9
201.05498	3.7
203.07005	14.9
205.08591	6.6
207.10106	4.6
208.92409	3.0
209.08075	5.7
217.08583	81.1
219.10135	100.0
221.08101	6.7
223.09668	5.1
227.10568	4.2
229.08571	11.6
231.10065	3.5
235.09622	51.0
241.08571	6.3
243.10121	6.4
245.11684	3.3
257.11752	3.1
259.13397	3.0
267.13727	6.3
269.11597	4.1
273.14780	14.9
275.16333	28.4
283.13348	3.8
285.14850	39.4
287.12888	4.6
289.14236	4.1
291.15918	22.0
325.17953	14.6
329.21402	4.5
331.19135	6.9
339.19504	6.5
341.21078	89.8
343.18991	74.9
351.42554	3.1
352.47754	3.4
357.20578	73.7
359.22083	23.6
373.23981	6.3
375.21655	41.0
397.23053	4.8
397.27347	9.7
399.25262	14.8
411.25247	5.3
413.26852	32.7
425.26715	18.3
431.27567	3.1
443.28473	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	499.3413
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
55.01867	2.2
57.03421	2.5
57.07071	10.2
67.05493	1.6
69.07066	12.5
69.76759	6.4
70.65967	0.8
75.12305	0.9
79.04699	0.8
79.05492	2.7
81.07047	6.8
83.01275	0.8
85.06517	1.0
85.52315	1.0
91.05453	1.8
93.07021	3.7
95.08588	2.0
98.21439	1.1
104.77609	0.9
105.07024	3.3
107.04942	1.7
107.08575	4.0
109.02864	1.3
109.10149	4.0
117.06992	1.3
119.08569	2.6
121.06528	1.3
121.10107	4.3
121.16837	0.9
123.11691	19.6
128.06189	1.1
131.08658	1.1
133.06494	1.0
133.10107	3.7
135.04402	9.3
135.08040	5.2
135.11668	6.0
137.02350	1.2
143.08545	2.5
145.06494	1.4
147.04427	1.0
147.08023	2.1
149.05977	1.0
149.09622	6.6
151.03909	6.8
151.04987	1.1
161.05983	2.8
161.09666	5.8
163.03885	39.7
165.05470	0.9
171.08043	3.2
173.04671	0.9
174.06787	1.2
175.03917	2.6
175.07529	11.3
177.05446	5.2
179.03452	1.9
181.04926	17.8
181.06451	1.5
185.09558	0.9
189.05489	2.1
189.09070	15.1
191.07077	1.4
197.39845	0.8
199.07561	3.9
201.05385	1.0
201.09061	1.6
205.08609	3.1
207.10152	3.3
211.07414	0.9
213.12700	1.2
217.08577	90.4
218.08864	1.1
219.10141	100.0
220.10562	1.3
223.09593	3.1
229.08588	1.8
231.10260	1.5
235.09618	46.9
243.13612	0.9
267.13812	3.2
271.13248	1.6
273.14865	6.9
274.34216	0.9
275.13303	1.1
275.16403	40.2
285.14850	13.0
289.14337	3.3
291.15872	41.6
303.15805	1.8
321.18390	1.3
339.19589	3.0
341.21085	52.3
357.20563	62.3
359.22156	15.4
375.21713	6.0
395.25580	1.1
413.26752	5.2
425.26773	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	499.3413
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
53.03935	0.9
54.07240	0.9
55.05487	1.6
55.77514	0.9
57.03428	1.7
57.07064	4.5
58.94030	0.9
67.05489	3.6
69.07056	12.2
69.59985	9.0
71.04971	1.2
79.05462	1.2
81.07036	6.5
91.05463	2.2
93.07030	9.7
95.08583	4.1
97.06480	1.4
98.21400	1.9
105.07010	1.8
107.08572	5.8
109.10139	8.5
116.44343	0.9
117.06988	0.9
119.08540	1.9
121.06481	1.8
121.10102	1.2
122.10883	1.0
123.11686	4.7
129.06946	1.0
133.10092	1.7
135.04408	1.9
135.08034	3.9
135.11678	9.8
143.08527	2.2
145.06502	1.5
147.08055	1.8
149.05986	1.3
149.09669	2.1
151.03873	5.0
153.12732	2.3
157.10092	1.0
161.05936	1.2
161.09636	2.0
163.03851	5.3
163.07570	1.4
165.05493	1.3
171.08078	1.2
175.03969	1.1
175.07516	7.2
175.11198	1.1
177.05447	24.7
177.09128	1.6
181.04922	2.5
185.09515	1.0
187.03885	1.0
187.07475	1.0
189.05444	1.7
189.09117	7.9
191.07047	1.8
199.07571	1.3
201.05469	3.5
201.09253	1.0
203.06976	2.9
203.10724	1.0
205.08543	6.7
207.10152	1.2
213.09058	1.8
215.07030	1.4
217.08580	27.9
219.06377	1.2
219.10135	5.1
223.09642	4.2
227.10733	1.3
229.08582	25.1
231.10141	22.1
233.11667	6.0
235.09612	8.8
241.08629	4.3
241.12352	1.3
243.10156	3.1
249.11191	7.4
253.12241	0.9
255.10104	4.4
257.11487	1.8
259.13254	2.5
267.13779	3.1
273.11475	1.0
273.14627	4.5
275.12579	1.1
281.11435	1.2
283.13269	10.0
285.14816	39.0
291.15863	13.2
297.14734	1.7
301.14392	4.8
339.19516	16.2
341.21088	68.2
342.21445	1.7
345.20471	1.7
357.20557	100.0
358.20801	1.3
359.22113	2.6
375.21545	2.6
395.25641	1.1
400.98288	1.0
411.25241	2.5
413.26901	7.9
425.26971	4.8
481.32626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.05492	2.6
57.03419	2.4
57.07063	15.9
58.71292	1.6
61.20864	1.6
67.05489	2.9
69.07057	22.5
71.06527	1.5
71.06863	3.7
77.71939	1.4
78.52170	1.6
79.05476	4.2
79.69777	1.5
80.84648	1.6
81.07034	8.6
83.08600	1.6
85.06507	2.2
91.05465	2.7
93.07018	6.2
95.08591	4.7
105.07040	1.9
107.04945	2.8
107.08567	5.2
109.10149	7.7
121.06500	1.8
121.10110	4.4
123.11687	18.9
133.10139	3.6
135.04385	11.9
135.08034	5.7
135.11661	7.2
139.03938	1.5
145.06500	2.4
145.10039	2.1
146.48132	1.5
147.08008	3.6
149.09576	6.2
151.03865	12.8
153.05450	2.6
155.08455	1.9
159.08104	2.2
161.05997	3.6
161.09578	4.6
163.03885	32.2
163.07498	3.4
165.05452	5.5
175.03958	2.9
175.07515	14.7
177.05449	5.8
181.04961	14.6
189.05457	2.0
189.09097	10.8
191.07028	3.0
199.07533	3.4
201.09105	1.9
203.07002	6.2
205.08598	7.9
207.10275	3.6
215.14063	1.9
217.08575	100.0
218.33984	1.6
219.10135	66.6
221.11707	7.3
223.09637	5.6
229.08597	6.8
231.10127	1.6
235.07375	2.8
235.09627	40.8
237.11183	4.1
243.13510	1.6
257.11725	1.8
267.13748	5.2
268.35223	1.5
273.14783	10.8
275.12952	3.1
275.16379	12.4
285.14841	23.4
289.14310	4.5
291.15860	65.4
292.16214	2.2
303.15912	35.3
339.19406	4.8
341.21057	31.0
343.18848	8.0
357.20560	30.2
359.22162	49.2
375.21628	57.4
387.21588	2.2
397.27356	3.0
411.24945	2.0
413.26785	3.9
425.26959	2.3
431.27579	5.4
443.27838	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	499.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99303	3.1
60.81710	3.9
64.68192	2.9
67.05480	6.7
68.20813	3.3
69.07059	48.0
71.04974	7.4
71.27874	7.9
81.07038	7.4
81.68416	2.9
85.48206	3.0
87.82865	3.2
91.05453	6.6
91.34715	2.8
93.07011	6.9
95.04936	4.2
95.08583	15.8
105.07016	10.7
107.08576	9.8
109.10098	4.1
121.06510	4.9
121.10136	10.9
131.08594	4.4
133.10138	10.4
139.11217	3.2
143.19698	3.2
145.10117	5.0
146.24979	3.3
147.11647	4.5
157.10112	3.8
159.11678	6.9
169.06493	10.9
169.10205	4.2
173.09624	24.5
177.05476	6.4
183.11697	18.5
195.06500	7.8
195.11693	5.1
197.13354	5.7
203.06996	26.4
205.08585	3.6
207.11685	8.8
209.09673	5.5
209.13158	3.8
211.11160	25.7
221.08061	12.9
223.09587	5.5
223.14931	3.9
225.12669	9.6
229.08589	7.1
235.11250	5.7
237.16368	4.4
243.10123	4.5
247.09567	7.5
249.16492	5.9
251.14369	15.7
253.12231	4.5
259.13232	3.8
263.10666	39.9
263.13855	5.9
265.12241	4.8
277.14346	18.9
277.16486	4.7
281.11700	9.0
287.14478	4.4
293.19385	3.4
295.16873	10.4
301.10464	6.3
305.15329	56.5
309.18503	4.0
321.18552	8.7
323.12543	4.0
323.16364	83.6
339.15677	13.2
341.17432	57.4
357.16721	24.4
361.21475	7.7
377.20822	4.5
377.25055	3.7
379.22641	71.9
391.22678	8.8
397.23727	100.0
398.24167	5.4
411.26270	4.3
413.18982	4.9
419.29330	6.5
429.27783	8.2
431.24454	7.1
447.28915	9.1
463.23248	5.5
465.30338	20.3
467.23730	4.1
481.25256	17.5
499.26312	40.6
500.25882	4.3
509.36823	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.341
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
55.01856	1.7
55.05484	1.2
57.03416	2.0
57.07063	7.2
67.05475	2.3
69.07057	19.2
69.75207	0.9
69.75616	5.4
73.11603	0.8
74.05058	0.7
79.05473	2.5
81.07050	5.3
83.08595	1.3
85.06531	1.3
91.05457	1.4
93.07031	3.5
95.08593	4.5
97.06499	1.1
97.15595	0.7
97.16204	0.6
105.06998	2.2
107.01315	0.7
107.04926	1.4
107.08569	3.1
109.02876	0.8
109.10133	5.6
119.04900	1.2
119.08559	1.7
121.06438	0.9
121.10133	2.4
123.11687	11.0
128.06201	1.0
131.08534	0.8
131.48137	0.6
133.06523	1.1
133.10106	2.4
135.04408	3.0
135.07996	4.9
135.11678	5.1
137.02330	1.1
139.03870	0.9
143.08507	1.2
145.10124	1.1
147.08003	1.8
149.09576	3.2
151.03897	5.1
153.05431	2.0
153.12654	0.7
161.05997	2.1
161.09589	3.8
163.03857	12.6
163.07544	1.8
165.05478	1.0
171.08078	2.0
173.06009	0.9
174.06697	1.2
175.03841	2.0
175.07520	9.0
177.05363	3.6
179.03349	1.2
181.04927	5.7
187.03918	1.0
187.07594	0.8
189.05515	1.8
189.09064	7.6
191.07056	3.2
193.04973	0.8
199.07594	2.2
201.05428	3.2
201.09102	1.3
203.06958	1.6
205.08522	5.6
207.10161	1.7
209.08109	0.9
211.07573	1.0
217.08566	49.9
219.10130	16.9
221.11755	1.8
223.09497	3.3
228.86342	0.8
229.08603	5.6
231.10077	2.1
235.09612	20.9
237.11128	2.3
243.10208	1.5
246.65402	0.7
247.09618	1.9
249.11050	1.1
257.11700	0.9
259.13293	1.2
261.21939	0.8
267.13791	1.8
271.13242	2.7
273.14825	3.0
275.12909	0.7
275.16336	1.7
283.13071	1.1
285.14798	14.7
289.14325	2.6
289.95718	0.8
291.15878	7.0
303.15848	12.2
313.21439	0.9
328.20386	0.9
329.20987	1.3
339.19458	2.6
341.21039	18.4
342.21558	0.9
345.20514	1.3
357.20462	11.7
359.22171	14.6
363.21646	1.7
375.21597	100.0
376.22037	1.7
397.27414	4.8
397.31863	0.8
413.26831	1.5
425.26825	0.8
428.34793	0.7
429.26361	3.0
431.27933	4.0
443.27991	3.5
485.55145	0.7
487.63892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2683
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
51.14910	0.5
54.17086	0.5
55.01849	1.4
55.05490	1.2
65.03920	1.8
67.05486	1.8
68.99764	0.6
69.07064	6.2
69.64695	5.7
79.05466	1.5
81.07069	3.1
83.01325	2.7
88.30839	0.6
91.05488	1.1
91.57312	0.6
93.03371	0.7
93.07050	2.8
95.04941	2.1
95.08594	1.1
105.03372	2.0
105.06986	1.1
106.03649	0.6
107.08556	2.6
109.10117	0.8
111.04440	3.8
117.06983	0.9
119.08555	1.2
121.02843	40.5
121.10142	1.3
123.04433	0.9
123.11687	11.7
133.10143	0.9
133.62914	0.6
135.11678	4.8
137.02327	3.1
137.05963	1.4
141.01797	3.1
151.03880	3.3
153.05432	0.9
155.03395	2.0
165.05450	11.5
167.03317	1.3
179.03363	62.0
180.03764	1.1
193.05099	0.8
195.02760	1.1
197.04417	40.6
198.80020	0.6
203.03401	0.8
217.04805	0.7
219.10178	0.8
221.11667	3.6
261.07672	0.8
273.07535	100.0
274.07828	1.4
281.03711	0.5
287.16425	4.9
305.17383	2.2
311.09079	1.8
323.12897	1.0
323.18344	0.7
341.13773	13.7
343.22882	1.3
395.18500	24.8
407.18497	6.0
413.19461	4.8
425.19391	0.6
463.24667	1.2
481.24591	0.8
499.26450	0.9
499.33707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.4
55.05497	6.7
57.02422	5.9
58.89517	5.5
59.02037	6.0
66.11943	5.4
67.05486	20.2
69.03397	5.6
69.07061	90.5
71.01113	12.0
71.01473	13.0
71.04979	19.8
79.05467	14.7
81.07059	33.6
83.04932	7.1
85.06562	8.2
86.39558	5.3
91.05476	34.8
93.07023	48.6
95.04954	17.0
95.08600	45.0
97.06487	7.0
105.03401	7.0
105.07005	52.3
107.08572	26.9
109.06519	12.2
109.10101	11.0
111.08060	13.9
113.05970	9.5
119.08550	20.1
121.06507	18.0
121.10123	28.9
123.11700	7.0
125.06030	5.5
128.06133	5.7
129.07022	8.0
131.08514	15.7
133.10114	79.0
135.08054	17.3
135.11691	13.3
137.09596	7.8
143.08545	14.9
145.10098	21.1
147.08075	11.5
147.11713	9.9
149.09583	9.6
151.03833	7.8
153.05391	7.1
155.08517	6.5
156.09360	6.9
157.10114	16.5
159.08121	7.5
159.11720	14.5
161.05920	15.0
163.03882	14.2
163.07544	8.9
163.11211	8.9
169.10033	11.4
171.08046	9.0
171.11636	6.7
173.09613	12.5
173.13254	10.8
175.07526	7.5
177.05435	19.1
181.10109	10.4
183.11681	10.6
187.07539	10.9
189.05396	16.6
189.09099	7.9
193.10205	6.4
195.06496	21.7
195.11656	11.4
197.09686	8.0
199.11182	10.5
201.09044	17.7
201.12671	9.7
203.06996	80.1
203.10573	8.1
205.08543	17.9
207.06473	15.0
207.10170	9.4
209.09650	6.7
211.11177	8.8
211.14633	6.4
213.12839	7.7
215.06979	10.0
217.08574	7.9
219.10152	22.5
221.08047	39.8
225.12737	7.2
227.10583	7.0
229.08537	10.2
229.15726	8.1
231.10063	12.1
233.11685	9.5
237.12791	6.5
241.12154	7.8
243.10184	8.9
243.17491	7.6
245.11714	9.3
247.09532	27.0
253.12308	7.1
257.11679	9.8
259.13232	17.7
265.10693	18.5
267.13864	8.9
270.77844	5.8
271.09491	7.4
273.14813	6.8
275.12753	13.7
275.16263	6.7
277.14279	100.0
279.13794	6.2
281.11621	8.2
283.13092	9.3
285.14658	10.5
287.12698	22.4
289.14340	8.1
297.14917	8.4
297.18320	7.6
301.14005	13.9
303.15878	18.8
309.14819	9.5
323.16409	16.8
325.18018	14.1
327.15793	12.3
327.19635	8.4
337.18042	6.7
341.17401	18.0
343.19162	14.6
345.16882	14.3
345.20602	7.8
347.23572	6.1
349.21518	7.1
359.14484	12.7
361.20325	6.3
365.20856	9.2
367.22372	9.6
377.20984	11.0
379.22772	9.3
391.22659	7.7
393.20160	10.1
393.24545	8.7
395.21802	11.5
397.23669	41.0
413.23145	20.4
421.27298	8.0
429.26584	6.5
431.24097	22.1
447.29108	32.4
463.28995	9.8
465.30115	27.1
481.29385	22.4
498.74042	7.0
499.31381	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	0.2
67.05460	0.2
70.01749	1.6
71.52325	0.2
86.09693	0.3
104.10708	0.7
110.03435	0.5
137.05756	0.4
138.06528	0.4
177.08850	0.3
184.07362	0.5
185.07703	0.3
193.08289	0.4
194.09117	0.8
218.09087	0.3
221.07793	2.9
231.09866	0.3
238.97639	0.3
245.15222	0.4
249.07466	0.3
263.16153	0.7
271.13193	0.5
277.10416	0.4
283.13083	1.6
284.13815	0.4
285.14487	0.3
288.13348	0.8
301.13986	0.6
304.12808	0.5
310.15536	0.5
313.21335	0.4
315.12109	0.6
349.17322	0.3
350.18503	1.0
351.19269	1.7
353.17557	0.5
357.20438	0.8
368.19534	3.8
369.20279	4.9
386.20648	1.3
387.21567	0.5
390.38632	0.3
403.25888	0.3
413.19302	4.5
431.20435	0.4
437.26587	3.1
455.27710	3.9
467.24658	0.3
479.71658	0.3
499.26593	100.0
500.27032	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	499.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02269	0.3
55.59782	0.3
69.60075	3.4
130.65041	0.4
137.05743	0.6
188.11754	0.7
192.03967	0.4
193.08423	0.8
194.09189	0.6
221.07857	4.5
227.14069	0.4
231.10020	0.5
244.14522	0.7
263.16150	1.4
271.13034	0.8
283.13092	1.7
284.13757	0.6
285.14655	0.5
288.13321	0.6
301.14053	2.5
310.15445	1.3
315.11850	0.7
350.18536	0.5
351.19260	1.2
367.18942	0.6
368.19574	4.6
369.20352	10.2
386.20444	0.6
387.21359	0.6
413.19214	3.2
431.20453	0.6
437.26630	1.1
455.27573	7.5
477.39499	0.4
481.25626	1.6
499.26645	100.0
500.26883	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	499.266
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84196	0.4
71.70273	0.7
110.03396	0.5
115.44945	0.4
137.05721	0.5
144.61119	0.4
152.24780	0.4
175.07285	0.5
194.09106	0.9
218.09296	0.5
221.07864	2.0
231.09868	0.9
245.15097	0.6
246.33058	0.5
263.16168	0.9
271.13028	0.8
283.13184	1.5
284.13870	1.2
285.14645	1.6
288.13257	1.1
301.14038	1.2
310.15329	1.8
314.44611	0.4
315.12146	0.6
345.13257	0.4
350.18466	0.6
351.19244	0.9
357.20462	0.8
367.18936	0.8
368.19519	7.0
369.20309	12.0
386.20425	0.6
387.21429	0.7
413.19299	4.9
431.21255	0.5
437.26520	1.2
455.27609	7.2
499.26620	100.0
500.27039	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	499.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07040	2.0
69.07056	5.4
70.06070	10.3
71.83975	1.4
77.95866	2.0
81.07075	2.3
83.01345	1.8
91.05440	2.3
93.07021	7.6
95.04958	1.8
95.08575	2.5
105.03369	5.6
105.07014	2.8
107.08573	2.7
119.08569	3.1
121.10111	14.1
134.97420	1.7
135.11656	5.7
141.39948	1.5
163.11171	2.6
167.10846	1.8
179.03320	1.8
180.03596	2.5
193.04802	2.4
203.10402	2.4
219.06361	3.0
229.12219	1.8
247.09740	2.0
249.07315	2.9
257.08026	3.0
271.12845	2.4
273.11050	3.2
287.12454	1.9
291.15622	2.2
297.14551	2.7
299.12408	4.6
301.14063	3.2
315.37723	1.9
325.14130	4.5
329.13547	2.2
343.15063	5.4
361.17703	3.9
379.18878	9.6
393.20340	31.1
411.21603	2.7
413.19183	22.3
434.23172	1.8
445.23273	5.4
449.23083	11.5
463.24478	24.3
467.24039	19.1
481.25562	93.9
482.26132	1.9
499.26556	100.0
500.26987	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01859	1.3
55.05496	0.6
57.03419	0.5
65.03910	1.3
67.05495	2.3
68.99803	0.9
69.07061	6.1
71.78185	0.9
74.73759	0.5
79.05499	1.0
81.07052	3.7
83.01331	2.6
91.05463	1.4
93.07013	2.3
95.04944	1.7
95.08595	1.2
105.03376	1.6
105.07019	1.3
107.08597	3.1
109.06518	0.7
109.10139	1.0
111.04425	3.3
117.07008	0.5
119.08530	0.7
121.02853	41.3
121.10135	0.6
123.04391	0.8
123.11693	13.5
129.07002	0.5
131.08566	0.5
133.10088	0.5
135.11696	4.9
137.02313	2.8
141.01797	3.8
141.05400	0.5
148.25629	0.4
151.03894	4.7
153.05447	1.0
155.03346	2.7
165.05447	10.5
167.03394	1.6
169.04884	0.6
177.12688	0.4
179.03372	61.3
180.03735	1.1
193.04907	0.4
195.02869	1.3
197.04433	42.0
198.04814	0.6
203.03238	0.4
217.05008	1.1
217.08434	0.5
219.10057	0.4
221.11678	4.7
227.06876	0.7
261.07425	1.1
271.06088	0.8
273.07547	100.0
274.07864	1.6
287.16403	6.2
297.07593	0.5
305.17569	1.4
311.09033	1.8
325.21460	0.5
339.12085	0.6
341.13800	15.9
343.22629	1.9
393.16565	0.6
395.18503	25.0
396.18591	0.7
400.27036	0.5
407.18549	5.6
411.18073	0.5
413.19629	5.5
425.19556	0.9
439.24002	0.5
463.24860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.9
62.28062	0.4
67.08550	0.4
68.02659	0.4
68.99763	1.4
69.53217	1.9
69.53651	2.4
79.05468	1.0
79.49182	0.4
81.03371	0.8
89.03905	0.4
91.05466	2.8
93.07025	1.1
95.04915	1.8
102.04633	0.5
103.05460	3.6
104.06208	0.9
105.03365	0.7
105.06985	1.4
106.04147	0.8
107.04916	1.9
109.02810	0.4
109.06461	0.5
115.05443	0.8
117.03343	0.8
118.04120	1.7
119.04895	0.8
121.02746	0.6
121.06485	3.3
123.04407	1.1
130.04108	0.7
131.04128	0.5
131.04910	6.6
131.59306	0.4
132.05705	4.9
133.02780	1.2
133.06412	1.5
134.03568	1.6
135.04356	1.1
137.02264	1.6
137.05952	0.8
140.04642	1.5
145.02702	0.6
145.06474	0.5
146.03590	0.6
147.04382	1.2
148.05183	1.2
149.05977	3.1
152.00969	1.1
153.01802	0.9
154.06227	0.6
155.06976	1.9
159.04399	0.7
160.05180	2.3
161.02293	0.7
161.05954	4.8
162.03081	0.8
163.03865	1.5
163.07460	0.7
165.01814	2.2
165.03021	0.4
165.05463	2.0
167.07027	6.3
170.02037	1.0
176.04655	1.9
177.05467	6.0
178.02594	1.2
178.06248	0.8
179.07016	1.4
180.07803	2.5
181.08511	0.7
183.02855	1.0
187.03915	0.9
189.01779	5.0
190.02588	23.1
191.03267	1.0
191.07001	5.1
192.04131	0.6
192.07785	8.6
193.05083	0.7
193.08508	2.5
201.01826	0.5
202.02522	0.7
203.03346	3.8
205.04930	5.2
207.06506	0.6
209.08028	0.7
210.08812	0.9
215.03305	1.1
216.04112	2.6
217.04796	1.5
218.00113	0.7
218.02075	9.3
219.02858	1.0
231.02827	2.2
232.03548	1.1
233.04428	25.2
234.04729	0.5
243.02902	1.2
244.03696	4.4
245.04453	4.8
246.01576	9.0
247.02213	1.0
248.03139	0.7
259.02335	0.9
260.03094	0.8
261.03912	100.0
262.04294	1.9
272.03055	2.4
273.03894	5.4
274.04691	0.9
275.05530	1.3
276.02628	5.4
287.05380	0.7
289.03387	76.6
290.03986	3.1
291.04956	13.3
301.03430	1.2
326.24585	0.5
333.06091	0.8
345.05978	8.9
395.74216	0.5
449.08603	2.9
466.08224	0.6
469.11237	5.5
481.11261	39.9
482.11469	1.2
499.12314	74.6
500.12671	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	499.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45615	3.7
67.05503	7.1
69.07056	44.8
69.46736	47.1
71.05003	6.7
78.02229	4.1
79.05505	6.7
81.07048	7.2
86.96468	3.3
91.05476	4.5
93.07042	5.5
95.08601	16.5
105.07028	12.4
105.97040	4.1
107.08604	13.2
121.06384	5.4
121.10104	9.9
123.04430	5.8
131.08537	6.4
133.10106	5.6
135.08028	4.5
143.08531	3.7
145.10185	11.3
149.06013	4.9
155.08525	4.1
157.10095	3.9
159.11670	5.4
161.05916	5.1
169.06458	11.5
173.09619	27.0
173.90254	4.5
175.07492	4.5
177.05507	8.9
181.10150	5.8
183.11644	19.3
191.00204	3.8
195.06555	7.7
195.11760	4.9
197.09256	3.7
199.11174	6.4
201.09137	4.6
201.16360	4.5
203.06999	30.5
207.11761	8.0
209.09665	4.8
211.11212	19.9
217.08459	6.7
221.08093	13.7
223.14711	5.8
225.12660	9.8
229.08658	4.6
230.63016	3.7
235.11234	8.0
237.12759	4.1
237.16426	6.2
251.14386	22.4
259.09433	7.0
263.10706	32.7
263.13403	5.2
265.12204	6.6
267.17371	4.6
272.12766	4.7
275.10684	4.8
277.14346	21.0
277.16357	4.7
281.11957	6.4
281.15274	4.7
295.16888	6.8
301.10562	9.0
302.11172	8.5
303.11874	4.3
305.15341	55.3
317.15326	4.7
321.18573	8.7
323.16391	78.5
339.15680	18.6
339.19397	6.9
341.17432	60.2
355.15158	6.8
355.19168	7.3
357.16708	53.7
369.16473	5.0
371.18161	4.8
377.20847	8.3
379.22620	69.8
397.23746	100.0
413.19196	26.4
419.29709	6.8
425.22885	8.3
429.27640	8.0
431.24597	6.8
447.28943	10.4
454.26895	5.6
463.23920	14.8
465.29919	17.4
467.23886	6.6
481.25238	35.7
499.26422	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01857	3.9
55.05504	6.8
57.03430	8.7
61.02906	3.6
62.01908	0.8
67.05496	8.7
68.36987	0.8
69.03418	8.7
69.07063	8.2
70.08797	5.0
73.02912	3.2
79.05495	8.0
81.03409	8.4
81.07047	8.0
82.04194	3.6
83.04963	3.0
83.08607	4.1
83.09438	0.9
84.05692	1.0
85.02888	6.0
87.04452	2.5
91.03945	1.1
91.05460	6.9
93.07043	6.4
94.04212	1.1
94.90253	0.8
95.04945	6.4
95.08582	11.4
97.02876	18.7
97.06518	2.1
97.10152	7.3
98.03238	0.9
98.07319	4.1
105.07003	2.2
105.32293	0.9
107.04929	2.3
107.08576	4.6
107.27573	0.9
109.06495	1.3
109.10162	1.9
111.04412	1.1
111.08067	2.1
113.09625	20.9
115.03907	2.4
116.04696	6.9
117.06992	1.6
119.08525	2.3
120.09395	0.9
121.06460	0.9
121.10148	1.9
123.08067	2.5
125.09614	7.8
129.04539	1.7
129.05447	16.6
129.06940	1.6
131.08601	2.6
133.04921	2.2
133.10121	1.9
135.08025	1.2
135.11662	0.9
137.09602	1.8
143.07047	3.2
147.11668	3.1
150.05504	4.8
151.05768	2.3
151.11072	0.8
153.09079	0.9
157.04930	1.4
157.08595	7.4
157.10072	2.3
158.06064	1.0
163.11177	1.7
166.04976	1.6
167.05310	0.8
167.06938	0.9
169.03061	1.1
171.10168	3.1
175.11130	0.9
185.11638	1.1
187.13303	12.1
189.11218	4.9
193.12215	3.0
199.13332	0.9
200.14000	1.4
203.06874	0.9
209.11673	1.5
209.24277	0.8
211.13417	1.0
218.11772	1.0
219.12009	1.2
227.12741	25.8
246.14757	0.8
267.15823	2.7
283.15445	1.6
284.16150	1.7
289.11746	1.2
301.16422	100.0
302.16632	1.3
318.11591	2.8
319.01419	1.3
335.12170	4.0
336.12601	12.7
337.02240	2.3
355.03305	1.0
415.03604	1.0
463.21622	2.5
475.05508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01865	3.6
55.05500	9.2
57.03424	6.2
57.43968	0.7
59.04990	0.9
61.02923	3.9
67.05490	13.4
69.03416	6.1
69.07057	5.8
69.53368	6.6
71.01334	1.1
71.04971	2.4
73.02890	3.0
77.23840	0.6
79.05485	10.7
80.06264	1.1
81.02949	1.1
81.03403	13.1
81.07027	10.3
82.04192	5.4
83.04964	5.2
83.08603	6.2
84.02108	1.0
84.05746	1.1
85.02887	6.9
85.06527	1.3
87.04448	2.1
91.03916	1.3
91.05470	9.6
93.07027	8.8
94.04172	0.7
95.04411	0.9
95.04962	10.2
95.08605	6.5
97.02314	1.2
97.02879	11.5
97.06505	2.6
97.10150	7.3
98.07320	4.2
99.04396	1.0
99.08089	0.9
105.07004	4.1
107.04905	2.1
107.08562	6.9
109.06493	2.9
109.10148	9.7
111.04422	1.7
111.08057	2.6
113.09625	4.9
115.03908	2.6
116.04688	6.2
117.05566	0.7
117.07007	2.1
119.08564	4.2
121.06429	0.9
121.10107	2.4
123.08064	3.9
123.11675	2.0
125.09613	10.8
126.10427	0.9
127.03926	1.3
127.11179	1.8
129.05467	14.5
129.06981	2.1
131.08549	3.0
133.04965	2.3
133.06403	0.8
133.10152	3.8
135.08022	2.5
135.11652	2.6
137.09599	1.9
143.07022	4.4
145.10115	2.3
146.07248	0.8
147.11673	3.6
149.09583	1.9
151.11153	1.0
153.09099	1.7
157.04976	1.3
157.08591	7.8
157.09966	1.5
163.11160	2.8
164.11952	0.7
165.12775	1.4
169.12218	3.0
169.82207	0.7
171.10152	2.9
173.05954	0.8
173.09627	0.9
175.11011	1.5
185.11729	0.7
187.13248	7.4
189.11217	5.6
191.10493	1.0
193.12195	6.2
195.68565	0.7
199.13301	2.5
200.14090	2.0
209.11667	1.7
210.12471	1.5
211.13242	1.5
227.12747	29.5
228.13429	0.8
267.15872	18.5
269.17508	0.9
283.15402	2.0
284.16113	4.8
285.17044	3.5
301.16428	100.0
302.16794	1.3
302.72293	0.8
337.02240	1.4
498.18860	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.1
55.05500	5.4
57.03436	6.0
58.99577	1.5
61.02936	0.9
63.09347	0.7
67.05491	8.7
69.03417	6.8
69.07052	9.1
69.40564	0.7
70.06580	3.4
71.04988	6.3
71.78773	0.9
73.02901	3.9
76.02221	2.9
79.05478	5.6
81.03412	1.8
81.07044	32.2
83.04976	2.1
83.08608	8.2
85.02888	9.3
85.06532	8.6
86.99034	2.7
87.04464	2.3
88.03972	1.0
91.05459	7.9
93.07026	8.7
95.08594	39.4
97.02880	5.7
97.06517	11.2
97.10159	2.8
99.08087	5.1
100.97422	0.9
105.00072	3.1
105.07007	13.0
105.85093	0.8
107.08578	6.4
109.06464	1.4
109.10150	4.9
111.04469	1.2
111.08073	2.2
113.09593	2.1
115.03915	5.3
115.07590	1.0
119.08560	18.6
121.10106	7.0
121.10737	0.7
122.02732	5.5
123.08053	3.6
123.11674	10.6
127.03905	2.0
127.07550	0.8
128.10646	0.8
133.04936	3.0
133.09175	1.5
133.10104	13.0
135.11650	9.2
137.09584	2.4
137.13239	7.0
141.09048	1.3
145.04919	1.5
149.13191	1.6
151.11142	3.7
161.13234	46.0
167.14241	1.2
169.12221	3.6
179.12674	1.6
179.14276	34.5
197.15346	25.8
213.12355	2.3
215.16400	7.3
229.12560	3.6
273.15140	2.4
283.15445	1.6
303.04993	2.8
304.05356	1.0
313.16843	0.9
318.17245	3.0
319.11966	1.7
319.15686	27.3
336.18338	100.0
337.18420	1.7
359.13394	1.2
377.01749	1.3
414.19482	1.0
480.22073	1.0
481.33389	1.4
498.23624	2.3
498.36017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.5
57.03436	2.3
57.07071	22.8
67.05492	4.4
69.07058	32.6
69.66010	8.4
69.66426	4.1
71.08593	1.6
79.05471	5.9
81.07044	9.9
83.08597	3.5
85.06530	4.5
87.55660	1.2
91.05476	4.3
93.07046	10.1
95.08597	14.1
100.67844	1.4
105.03368	2.5
105.07003	12.7
107.04888	1.9
107.08566	7.8
109.02892	1.3
109.06495	2.6
109.10152	3.8
117.06993	4.0
119.08559	7.2
121.06470	2.1
121.10150	13.0
123.08035	2.1
123.11696	2.7
124.46033	1.3
128.06160	1.7
129.06914	2.1
131.08519	6.1
133.10123	7.1
135.04414	1.8
135.08055	6.8
135.11670	4.1
137.05925	1.8
142.07809	1.6
143.08507	3.4
145.10078	6.5
147.08014	1.6
147.11642	4.1
149.09578	1.9
149.13258	1.7
155.08510	3.6
157.10089	2.1
159.11658	3.2
161.05942	3.6
161.09633	2.2
163.03848	2.9
163.07555	4.2
167.08517	1.7
168.09328	1.7
169.06461	9.6
171.07956	3.5
173.06059	2.9
173.09579	11.8
173.13283	1.8
175.03908	3.2
175.07491	8.7
175.11183	3.0
177.05417	4.3
181.10101	2.3
183.11679	13.0
189.05379	2.2
189.09058	7.2
191.06961	7.7
195.02826	6.9
195.11662	3.6
197.13171	2.3
199.11131	1.7
201.08949	2.5
201.16298	2.6
203.18021	3.6
205.08568	5.4
207.09972	2.0
207.11740	2.8
209.08096	5.6
209.09793	2.0
209.13225	3.0
211.07495	2.3
211.11169	16.7
211.14799	1.7
215.07071	2.5
217.08574	67.5
218.08989	1.8
219.09973	7.3
221.13240	3.1
223.07626	1.9
223.09396	1.8
223.11288	3.9
225.12735	5.6
229.08653	1.9
229.12207	4.2
231.10107	5.1
233.08092	11.7
235.07524	2.4
235.09564	30.5
235.11668	2.3
237.12883	2.4
237.16368	3.3
241.08534	6.1
241.12367	2.0
243.09938	2.3
243.13716	2.6
249.12904	2.4
251.10692	1.7
251.17885	1.8
253.12233	5.6
255.10049	1.6
263.10522	2.0
263.18097	1.6
265.12329	7.9
265.16040	8.2
271.13318	10.2
273.11978	2.5
273.14932	7.3
277.12109	18.4
277.15115	1.9
281.11707	3.9
281.15350	2.3
281.55600	1.5
283.13208	8.7
289.14502	17.8
291.15820	61.3
295.13000	7.0
301.15677	1.8
307.15369	1.9
309.18430	6.5
319.16934	35.6
321.18350	4.7
327.19635	3.0
337.17923	69.5
339.19492	21.3
355.18997	74.1
357.20587	10.6
359.22272	4.3
359.92093	1.7
373.20023	16.6
375.23108	4.7
377.24536	2.5
391.22519	2.8
393.24133	18.0
395.25751	5.8
405.24265	2.7
405.42484	1.4
409.23730	2.6
411.25247	100.0
412.25623	2.5
413.26578	3.5
423.25223	3.0
429.26306	46.9
443.29288	3.8
461.30444	5.4
479.31750	11.3
497.32526	17.8
497.42426	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	498.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52063	0.8
51.52298	1.0
55.05508	2.4
57.03431	2.7
57.60587	0.8
61.02919	0.9
65.03944	0.9
66.77991	0.8
67.05492	4.6
69.03433	5.1
69.03747	0.8
69.07063	12.6
70.78820	3.1
71.01355	1.0
71.04987	1.4
71.08620	2.3
73.02907	3.7
79.05473	1.3
81.07047	6.9
83.04980	2.7
83.08623	1.3
85.02898	7.9
85.06493	1.3
91.05489	3.3
93.07052	3.1
95.08599	3.2
97.02882	3.2
97.06538	3.6
97.10159	1.4
99.04489	1.0
99.08083	6.1
105.07030	1.9
107.04961	4.8
107.08589	4.0
109.06525	1.5
109.10159	3.7
111.08081	2.3
115.03945	1.4
119.08567	2.1
121.06486	1.2
121.10207	1.1
123.04395	0.9
123.08060	1.5
123.11739	1.2
125.09649	2.4
127.03907	1.8
127.11177	1.7
129.06989	3.7
131.08588	1.4
131.76799	0.8
133.05009	1.6
133.10133	2.7
135.04401	21.3
135.11644	0.8
137.05939	2.4
137.09601	2.0
139.11111	1.2
143.08594	1.1
145.04956	1.4
147.04411	2.6
147.08046	6.2
149.06006	2.5
151.11150	1.1
153.05429	1.9
157.06483	1.5
159.11687	2.5
160.05165	1.0
161.05994	2.0
162.05510	1.2
163.03899	16.3
167.07068	4.6
167.08322	0.8
168.07376	2.0
169.12227	13.4
169.15883	1.5
171.08028	2.4
175.07533	34.8
177.05507	1.2
177.09100	5.2
177.12709	2.0
181.05006	2.5
185.09528	1.1
187.07562	2.2
187.13246	8.9
187.16913	1.0
189.05476	1.5
189.09131	3.2
194.10983	1.0
199.07518	2.2
201.09056	2.7
203.07027	22.7
213.09221	4.0
213.10988	0.8
215.10735	1.7
217.08577	6.6
220.09531	1.2
221.08145	0.9
227.07025	1.6
231.06537	3.7
233.07982	1.4
237.12714	1.7
243.15956	3.9
245.08087	5.6
245.15326	1.5
247.09627	2.1
251.16335	1.0
255.13741	8.1
269.17453	9.7
273.14822	10.6
283.13165	4.5
301.14258	26.4
301.19998	2.0
319.15375	100.0
320.15805	1.5
445.24051	0.9
481.20587	2.6
498.23691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05509	2.0
57.03426	2.9
57.07067	22.1
64.14279	1.3
67.05487	5.4
69.03423	2.3
69.06694	2.7
69.07058	33.8
71.24110	3.4
71.24459	2.1
79.05508	2.6
81.07052	8.5
83.04998	2.9
83.08602	1.6
85.06541	2.4
91.05475	3.7
93.07043	6.9
95.04935	2.2
95.08583	11.4
102.13228	1.6
105.03405	5.0
105.07024	10.3
107.04944	2.7
107.08589	6.1
109.06506	2.4
109.10120	3.1
117.07037	2.6
119.04953	2.0
119.08559	4.9
121.06537	2.5
121.10133	15.2
127.07560	2.0
131.08563	5.5
133.10149	6.0
135.08040	4.0
143.08568	4.6
145.06456	3.1
145.10097	9.5
147.11649	3.4
149.09598	3.0
155.08533	3.0
157.10046	2.1
159.11642	3.0
161.05940	1.8
161.09673	4.5
163.03850	2.7
163.07492	1.9
168.09338	2.8
169.06427	7.8
171.08051	2.6
173.09583	8.8
173.13199	2.1
175.07545	8.0
175.11244	2.0
179.03343	1.9
181.10059	2.7
183.11682	14.4
189.05463	2.2
189.07475	1.5
189.09111	6.5
191.07043	3.7
195.11763	6.3
199.07513	3.8
199.11198	2.3
203.07083	1.7
205.08595	2.5
207.10095	2.0
209.08104	5.7
209.09802	3.4
209.13292	2.0
211.11153	22.2
217.08568	69.7
219.10138	6.0
221.13196	5.0
223.07597	2.7
223.09387	2.8
223.11259	5.1
225.12743	6.0
229.12283	3.7
231.10094	2.1
235.07431	4.2
235.09558	30.3
237.12697	2.1
237.16380	2.8
248.77469	1.8
249.09026	2.6
249.12737	4.5
249.16557	2.0
251.17966	2.1
253.12195	4.0
261.11246	4.2
262.09848	1.7
263.10486	3.0
263.17969	2.5
265.12225	5.7
265.15817	12.1
271.13327	6.2
273.14462	7.9
275.16437	3.8
276.15128	1.9
277.12119	19.4
278.85648	1.7
281.11673	3.8
283.13278	2.8
283.17136	1.8
289.14456	2.5
291.15775	66.4
295.13318	5.1
299.12668	3.3
301.15598	1.9
304.14700	3.0
309.18527	7.2
313.14706	2.0
319.16919	39.3
321.18417	5.5
327.19495	2.5
337.17941	66.1
338.18454	2.2
339.19528	4.4
351.19504	1.8
355.18979	62.2
359.22061	3.7
373.09055	2.4
373.20059	14.3
375.23294	2.4
393.16312	1.7
393.24121	19.4
395.25940	4.7
405.24469	2.5
411.25253	100.0
412.25470	1.8
413.26801	4.3
427.24588	2.6
429.26328	48.6
433.30875	1.8
435.25180	2.4
443.29202	3.3
453.26227	3.8
461.30536	3.4
479.31348	9.6
497.24628	13.6
497.32730	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	497.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59396	1.5
55.01875	1.8
55.05513	2.2
55.33607	1.4
57.03420	2.9
57.07075	18.4
67.05493	3.4
69.07062	31.3
70.30454	3.4
70.30850	3.0
79.05490	2.1
81.07045	6.8
83.04947	2.3
89.06009	3.0
91.05477	3.6
93.07018	7.7
95.08618	10.6
105.03375	1.5
105.07022	9.2
106.23736	1.6
107.08593	8.5
109.06506	2.8
109.10143	2.5
117.07006	2.8
119.04879	1.9
119.08533	3.8
121.10135	15.3
122.45724	1.8
123.08054	1.8
123.11662	1.7
129.06952	2.7
131.08545	5.1
133.10104	5.0
135.08017	4.1
135.11661	3.5
137.02295	1.6
142.07794	1.5
143.08490	3.4
145.06514	1.8
145.10106	8.7
147.11674	5.6
149.09586	2.6
153.05496	3.0
155.08488	1.8
157.10072	1.9
159.08032	1.6
159.11639	3.2
160.78001	1.5
161.05919	3.0
161.09601	3.3
163.03882	4.4
163.07492	3.0
165.05455	6.4
168.09320	2.8
169.06465	6.2
171.08069	3.0
173.09628	6.5
175.03885	2.3
175.07520	7.7
175.11043	1.7
177.05438	1.7
181.09975	2.4
183.11700	11.9
189.05453	2.0
189.09096	10.4
191.07050	5.6
195.11728	3.5
197.13242	2.5
199.07574	2.6
199.11145	1.8
205.08505	4.3
207.11766	2.0
209.07979	4.3
209.13310	2.4
211.11159	17.7
211.14404	1.7
212.91208	1.6
215.07071	2.7
217.06487	3.8
217.08578	76.0
218.08958	2.7
219.10115	8.5
221.11516	2.5
221.13368	4.6
223.07733	1.9
223.09634	6.9
223.11484	3.1
225.12833	4.7
229.12090	2.7
235.09579	46.4
237.12909	2.0
237.16304	2.4
243.10072	2.8
245.11668	2.0
249.12810	2.3
253.12213	3.2
261.11194	6.0
265.12134	4.6
265.15952	7.9
271.13226	7.5
273.14459	9.3
275.16446	4.2
276.15018	2.2
277.12198	16.8
277.15588	3.1
279.12204	4.6
281.11594	2.2
283.13275	2.0
283.17487	2.0
287.16586	1.9
289.14569	3.0
291.15854	100.0
292.16095	2.1
295.13220	6.5
295.16678	1.9
299.12906	1.8
301.15884	2.4
309.18390	6.3
317.17386	2.8
319.16904	26.8
320.17426	1.6
321.18445	3.4
327.19547	5.7
335.18460	2.1
337.17947	56.6
338.18329	2.7
339.19543	2.5
355.19003	58.9
359.22168	13.3
369.20551	2.0
373.20117	18.7
375.23093	2.0
377.24518	1.6
382.97159	1.5
393.24310	16.5
395.25607	2.1
405.24136	1.8
409.23425	2.6
411.25272	90.8
412.25497	4.6
413.26874	5.1
427.24759	2.8
429.20584	3.2
429.26355	60.0
430.26993	2.0
461.30762	3.6
479.31381	11.3
497.32364	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	497.289
Annotation	Ardisenone
Peak:m/z	Relative Intensity
52.95996	0.6
53.03930	1.4
54.85760	0.6
55.01856	1.1
55.05508	0.7
62.73843	0.5
65.63125	0.6
67.05486	1.1
68.85818	0.5
69.07055	4.9
70.23024	3.4
71.45718	0.5
73.06538	1.9
77.03902	0.8
79.05469	1.1
81.07031	3.0
83.01324	2.2
89.65871	0.6
91.05436	0.8
93.03328	0.7
93.07026	3.6
95.04953	3.5
95.08578	1.5
96.36872	0.7
98.20844	0.8
104.10793	0.6
105.03375	44.3
105.07043	0.7
107.08583	4.3
109.02815	1.0
109.10117	1.4
121.10113	1.6
123.11698	10.2
133.10167	0.8
135.11676	6.6
137.02304	2.0
141.01794	2.8
151.03870	3.7
153.05511	1.0
155.03371	1.9
165.05457	9.1
167.03380	0.8
179.03369	61.8
195.02893	1.9
197.04425	44.6
203.03407	1.0
204.20528	0.6
205.08641	0.6
217.04947	1.5
219.10138	1.4
221.11674	2.3
231.85905	0.6
237.11174	1.0
245.07925	2.8
255.06577	1.1
257.08051	100.0
258.08432	1.7
281.08148	0.7
287.16315	4.7
295.09589	0.9
296.26105	0.6
305.17374	1.1
319.19058	1.0
325.14288	14.5
339.19586	1.0
343.22696	0.7
357.20483	1.7
377.17337	1.4
379.18997	39.2
380.19351	1.3
391.18951	9.4
397.20007	2.7
411.21780	1.7
429.21964	0.8
447.25412	0.8
511.58850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
57.03426	3.4
57.07067	24.7
59.74780	1.6
63.15604	1.6
66.57526	1.9
67.05502	4.3
69.07060	31.0
71.81483	1.9
73.06536	1.9
79.02087	1.7
79.05471	2.3
81.07045	5.7
85.06509	2.1
91.05470	3.6
93.07036	7.2
95.08604	9.6
105.03380	5.8
105.07013	10.7
107.04928	2.1
107.08585	9.1
109.06535	3.3
109.10138	4.1
112.95634	2.1
117.06975	1.7
119.04926	3.6
119.08564	3.3
121.10133	16.9
123.08128	2.3
123.11687	3.2
131.08566	5.2
133.10104	7.9
135.08055	4.3
135.11705	2.8
137.02219	2.6
137.05940	2.1
143.08592	3.8
145.06465	3.1
145.10100	6.8
147.08044	2.0
147.11664	2.9
149.09567	2.9
151.03824	3.1
155.08519	2.5
157.10106	2.4
159.11708	4.0
161.09598	3.2
163.03889	3.1
163.07561	3.4
165.05501	3.1
168.09232	2.4
169.06500	7.7
171.08047	3.4
173.09633	10.1
175.03853	2.0
175.07536	10.0
175.11203	2.3
177.05402	2.7
179.03363	15.7
181.10051	2.4
183.11674	13.9
189.09085	10.2
191.07057	8.9
193.10158	2.6
195.11671	3.7
197.04422	8.5
199.07500	2.4
199.11121	2.9
203.07115	2.2
205.08557	2.7
209.08011	5.0
209.09764	3.2
209.13280	3.7
211.11115	19.7
215.06984	3.0
217.08580	74.0
219.10155	7.8
221.13287	5.1
223.11192	5.9
225.12767	6.3
229.12199	3.4
235.07410	3.3
235.09596	39.1
235.11674	2.7
237.16257	2.4
243.09967	2.2
249.12866	3.7
251.18027	2.2
253.12184	5.3
257.08090	19.9
259.11017	2.5
261.11279	6.4
265.12213	6.5
265.15921	9.1
271.13312	7.3
273.14648	9.7
275.16315	2.8
277.12210	17.7
277.15311	3.3
279.12296	6.8
281.11578	3.4
283.13321	2.2
289.14771	1.9
291.15826	70.4
295.13379	4.6
303.16254	1.9
309.18506	7.1
319.16901	37.2
320.17377	2.4
321.18527	3.3
327.19775	2.9
335.18863	1.8
337.17941	58.0
339.19531	3.6
355.18961	60.6
357.20828	2.1
359.22220	5.0
373.20142	20.2
375.23157	2.1
379.19022	7.2
393.24142	12.2
395.25742	4.5
398.35583	2.2
405.24170	2.8
409.23499	2.5
411.25241	100.0
412.25211	3.3
413.26758	7.3
421.52682	1.9
429.26300	69.7
430.26721	3.2
443.29050	2.3
461.30582	4.0
479.31631	9.2
497.32681	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2525
Annotation	Turraflorin G
Peak:m/z	Relative Intensity
51.02368	1.7
53.03949	5.2
55.01858	1.1
55.05504	7.4
56.43363	0.8
57.07072	0.9
60.26719	0.9
67.05489	5.2
68.99770	2.5
69.03424	1.8
69.07062	11.7
71.23699	1.6
77.03905	1.6
79.05483	2.5
81.07050	4.2
83.01324	2.5
85.06525	1.7
86.09701	7.5
87.10046	2.0
91.05485	6.7
93.07029	9.7
95.04957	12.1
95.08592	5.9
97.10149	13.3
104.10678	1.0
105.03381	100.0
105.07029	7.8
106.03720	2.0
107.04913	1.0
107.08587	4.6
109.06476	1.3
109.10164	2.2
111.04504	0.9
115.05400	1.0
117.06973	1.7
119.08581	3.6
121.06528	1.8
121.10155	2.1
123.08051	2.6
125.00020	5.5
125.06008	1.3
125.09594	0.8
129.03322	2.9
129.07008	2.4
131.08586	4.2
133.06410	0.9
133.10132	2.6
135.11670	1.9
143.08582	1.1
145.06500	1.1
145.10136	4.3
147.04391	3.7
147.08002	1.0
147.11664	2.2
149.09573	5.1
155.03340	1.9
155.08562	1.2
157.10152	1.0
159.08044	1.3
161.09650	1.5
163.11163	2.9
167.10641	3.5
171.08130	1.6
173.09592	12.5
175.11131	2.2
177.05553	1.4
179.03372	9.0
183.07939	1.1
183.10156	0.9
183.11775	0.9
184.07323	25.7
185.06039	0.9
185.07686	4.9
185.13380	0.9
189.09056	2.5
189.17706	1.0
191.10648	3.5
193.05014	1.2
197.04436	6.1
197.09552	1.1
201.09180	1.2
201.12718	1.1
203.07071	1.1
205.04974	6.2
213.09003	1.1
215.06990	2.1
215.10674	1.3
219.10167	1.1
226.90002	1.0
229.04878	1.3
230.11006	1.0
237.13054	0.9
243.13979	1.2
257.08047	13.1
271.09589	1.5
271.13303	2.1
277.12094	1.7
283.09592	15.0
285.14764	1.2
295.09607	2.2
297.11469	1.2
299.12753	1.4
309.14990	1.5
319.13214	1.5
323.12756	1.7
335.12750	1.2
359.16248	1.2
375.15967	3.4
377.17450	15.6
389.17087	1.2
393.16754	2.4
409.21771	1.5
410.23785	1.3
478.03064	1.0
479.24066	1.8
497.34766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2526
Annotation	Fuscaxanthone H
Peak:m/z	Relative Intensity
53.03934	4.6
55.01889	4.1
55.05510	3.6
60.20402	3.8
64.97302	3.2
67.05485	7.3
69.06734	3.2
69.07053	21.3
79.05466	6.7
81.07041	6.1
91.05476	9.5
93.07022	16.7
95.04970	11.9
95.08592	14.6
105.03375	100.0
105.07011	20.3
107.08576	15.8
109.06525	4.1
119.08540	4.8
121.10143	25.3
129.03372	6.0
131.08591	5.1
133.10124	14.9
135.11673	6.9
140.14336	3.7
143.08539	5.1
145.10144	5.8
147.11652	5.6
165.05513	3.7
173.09595	6.6
174.09958	8.3
175.11134	8.3
176.11447	4.0
179.03345	71.5
185.08022	7.8
186.08415	5.3
193.04906	3.5
197.04399	43.9
231.06587	4.7
243.06396	5.6
257.08032	80.5
257.10538	6.7
273.03873	10.1
281.11707	7.7
283.09476	5.7
295.68146	3.6
297.16324	4.9
299.12848	5.5
301.03323	13.9
313.06946	10.8
321.11075	4.4
325.14240	7.1
335.12677	6.2
341.15494	5.4
359.16397	12.6
371.16415	4.2
373.09012	19.8
377.17386	94.1
395.18576	53.7
409.21609	20.9
411.18237	6.2
429.15387	44.2
445.23550	6.2
451.21176	4.8
463.24820	17.1
497.23761	4.8
497.32776	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	497.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.4
64.20362	0.3
65.58576	0.3
67.05466	1.1
69.03404	0.5
69.07024	0.5
70.06560	0.4
70.74115	1.2
77.03875	0.5
78.04694	0.5
79.05445	1.7
81.03374	1.1
81.07017	0.7
91.05468	2.5
93.07011	0.9
95.04905	1.1
95.08543	0.5
97.06420	0.4
102.04661	1.0
103.05447	2.5
104.06247	0.6
105.03327	0.9
105.06973	1.2
107.04913	1.0
107.08517	0.5
109.10101	0.4
111.04467	0.5
115.05420	0.5
118.04095	1.5
119.04931	0.3
119.08567	0.6
121.06493	1.8
121.10111	0.6
123.04404	0.6
123.11668	0.4
129.06958	0.5
130.04106	1.1
130.26234	0.4
131.04889	3.1
131.08487	0.3
132.05698	2.3
133.10065	0.7
134.03659	0.4
135.04401	0.4
135.08028	0.3
137.05887	0.6
145.06514	0.5
147.04393	0.8
147.08038	0.5
148.05109	0.6
149.05933	1.6
150.02998	0.4
151.03896	0.6
151.11081	0.4
153.05389	0.5
159.04388	6.3
160.05191	1.7
161.05850	0.4
163.03839	1.2
167.06993	1.1
171.04335	1.4
173.02287	4.0
173.05904	0.6
174.03076	1.1
175.03841	0.5
176.04686	1.9
177.05455	1.9
179.07034	0.5
186.03035	0.5
187.03847	2.4
188.04637	9.5
189.05302	0.5
191.07018	2.7
192.07758	1.2
194.59500	0.4
199.03876	3.2
201.01738	3.4
201.05450	1.1
203.03427	0.7
203.06992	2.3
212.04659	0.4
213.05424	0.9
214.06213	1.1
215.03302	1.2
216.04160	9.1
219.06516	0.6
220.07333	1.1
221.07994	0.9
224.56395	0.4
227.03368	1.7
228.04109	1.8
229.01329	3.2
229.04977	0.4
230.05881	1.7
231.02847	0.9
231.06471	6.6
239.08812	0.5
241.04921	0.9
242.05682	3.4
243.02882	0.5
243.06450	1.2
244.03632	26.3
245.04332	1.9
249.11192	7.3
249.34576	0.4
256.03589	1.6
257.04361	0.9
258.05167	1.1
259.05978	98.6
260.06357	1.6
270.05176	2.8
271.05963	2.9
272.03104	6.6
272.06030	0.3
273.03827	2.1
273.06805	0.5
274.04651	9.2
285.04233	0.7
285.07532	1.5
287.05450	100.0
288.05951	4.2
289.06995	12.4
303.12170	0.5
425.23126	0.5
429.02856	0.3
443.24210	0.7
461.25458	0.7
467.13312	7.3
467.54352	0.4
468.14880	0.4
479.13318	40.1
480.13596	1.7
497.14349	62.3
498.14685	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	497.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
57.03422	0.7
61.02909	1.2
65.03917	0.4
66.39085	0.3
67.01319	0.3
67.05491	1.8
69.03423	2.8
69.07063	35.9
69.97961	0.6
69.98373	2.0
71.04989	0.4
73.02888	0.4
79.05470	0.5
81.03409	2.1
81.07051	2.5
82.06604	0.5
83.01308	0.5
84.24825	0.4
85.02450	0.5
85.02903	5.6
91.05493	0.5
92.04967	0.6
93.05804	0.4
93.07043	0.7
94.06541	1.3
95.04961	1.2
95.08611	0.4
96.08090	0.4
97.02885	2.9
97.06510	6.2
98.21394	0.5
99.04401	0.5
105.07031	0.6
106.06525	0.5
108.04427	0.4
109.02875	0.8
109.06521	0.6
122.06017	4.1
124.07577	1.0
125.06007	0.7
127.03898	1.2
132.08133	0.4
137.05980	1.7
138.05507	3.3
140.07047	3.6
144.08101	0.7
145.08826	0.9
145.09976	0.6
146.09660	2.2
147.06769	0.4
148.03981	0.6
150.05493	45.4
157.08891	0.6
158.09674	0.6
159.10451	0.6
160.11247	0.4
161.08379	2.2
162.09131	1.7
164.03389	0.6
166.04988	11.2
167.07111	1.0
168.06557	0.9
172.07520	0.7
172.11200	2.9
173.08351	0.7
174.09174	0.7
174.12759	3.4
176.03384	3.2
178.05002	1.5
185.08345	1.2
186.07544	0.4
187.10060	0.4
188.07079	0.4
188.10698	0.6
190.08588	0.6
190.12286	4.3
192.02882	0.8
194.04488	1.5
194.12701	0.4
198.07730	0.5
198.09270	0.5
200.07176	0.7
200.10753	3.8
202.12236	4.6
206.12000	0.4
213.10167	0.8
216.10127	2.7
218.08360	0.9
218.11761	14.3
226.08656	0.8
227.11790	0.6
228.10185	10.0
229.13435	0.9
234.11288	1.4
243.11227	0.8
244.09647	1.2
245.12878	0.6
246.11264	10.7
255.11237	0.8
256.09723	0.9
257.09103	0.7
261.08569	0.5
261.12241	0.5
262.10757	0.6
271.10760	2.7
272.09195	2.3
273.12326	1.2
274.10754	1.5
285.16937	0.7
286.17285	0.5
287.10287	5.5
288.11014	0.5
289.11768	4.7
290.10153	1.2
291.13602	0.6
299.10208	3.4
317.11304	22.8
318.09750	1.2
335.12341	100.0
336.12708	1.0
497.18231	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	497.1438
Annotation	Cadensin F
Peak:m/z	Relative Intensity
53.03927	0.6
55.01842	0.7
55.05491	0.6
67.05464	1.6
68.17559	0.5
69.03383	1.2
69.07024	0.7
71.04949	0.6
71.08908	0.5
74.09673	0.7
79.05453	2.2
81.03377	1.4
81.07023	2.3
83.04952	0.7
83.08560	0.8
85.02858	0.9
85.03649	0.5
91.05453	3.2
93.06995	2.3
95.04938	1.4
95.08566	1.1
97.06499	0.7
98.21550	0.9
103.05431	2.0
104.06200	0.6
105.03359	1.4
105.06967	1.2
107.04916	1.0
107.08546	1.7
109.10115	1.2
115.05411	0.7
117.06979	0.7
118.04095	1.0
119.04904	0.9
119.08620	0.6
121.02818	0.7
121.06500	2.8
121.10114	1.2
129.05469	0.5
131.04912	3.2
132.05653	2.3
133.02777	0.7
133.10091	0.9
135.04414	0.8
139.03815	0.6
145.10161	0.6
147.04402	1.6
149.05939	1.3
151.03801	0.8
151.07455	0.8
159.04390	5.9
160.05179	1.6
161.09579	0.7
163.03828	1.5
163.07491	0.6
165.05455	0.6
167.07042	1.1
171.04395	1.2
173.02283	4.6
174.03018	0.8
175.07550	1.0
176.04688	1.1
177.05426	1.7
179.03331	0.6
187.03874	1.9
188.04660	8.6
191.06972	3.0
192.07755	0.9
193.12099	0.7
199.03851	3.3
201.01849	3.6
201.05453	0.9
203.06975	1.6
208.50294	0.5
213.05508	0.7
214.06186	1.0
215.03249	1.3
216.04149	8.0
219.06482	5.6
220.07248	9.1
221.08055	1.9
227.03297	1.4
228.04094	1.6
229.01266	3.3
229.04729	1.1
230.05688	1.8
231.06467	6.7
235.09709	0.7
239.09277	0.7
241.04977	0.7
242.05785	2.7
243.06555	0.7
244.03645	25.3
245.04344	1.6
245.82707	0.6
249.11194	66.9
250.11569	0.9
256.03549	1.4
257.04437	1.3
257.11914	0.6
258.05109	1.2
259.05991	94.2
260.06241	1.2
270.05206	3.4
271.06064	3.2
272.03137	6.1
273.04074	1.4
273.07574	0.9
274.04620	8.0
285.07526	1.0
287.05453	100.0
288.05997	3.5
289.07019	12.0
302.76712	0.5
303.12253	1.7
321.13245	0.9
371.24414	0.6
425.23157	1.6
443.24280	2.7
461.25388	2.1
467.13351	6.2
479.13333	41.6
480.13937	1.0
497.14368	61.9
498.14603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23189	1.0
55.05487	2.3
57.06807	1.7
57.07070	31.1
62.13296	1.4
67.05482	1.9
69.07053	6.0
69.75744	6.4
69.76156	3.7
69.98161	1.0
71.08258	1.9
71.08626	27.5
73.06534	5.2
81.07044	2.5
82.56123	1.0
83.08603	4.2
84.43211	1.3
85.10161	15.0
87.04435	3.6
89.06019	100.0
91.07560	1.5
95.08602	2.5
97.10149	4.6
97.11208	1.2
99.11708	1.6
107.07043	2.9
107.08525	1.7
109.10127	2.2
111.11734	1.7
117.09093	2.2
130.08626	5.9
133.08588	51.6
135.11667	1.7
165.05418	1.5
174.37720	1.4
177.11214	20.7
190.99467	1.3
195.12288	2.5
219.10323	2.2
221.13875	1.4
237.11295	1.2
239.14838	3.3
241.25211	1.8
283.17490	36.5
285.27844	7.1
307.97577	1.4
311.23801	1.5
329.30325	2.9
387.18445	1.3
479.32285	1.7
479.39346	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.339
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.39346	0.3
55.05510	0.3
56.05022	0.8
57.03421	0.7
57.07068	3.3
57.09326	0.2
57.42521	0.2
58.06562	1.3
59.07362	0.3
60.08157	17.1
60.55814	0.3
67.05479	0.7
69.07060	0.5
69.98802	1.5
70.06605	0.3
71.07363	5.5
71.08620	1.9
79.55050	0.3
81.07034	1.0
83.08619	0.4
85.10179	1.0
86.09695	48.5
95.08592	0.8
98.98448	3.5
104.10729	100.0
105.03346	0.3
105.11055	0.6
109.10149	0.4
116.20745	0.3
122.47735	0.3
124.99988	28.5
138.51027	0.3
153.51701	0.3
163.01558	0.6
181.02602	0.4
184.07321	91.0
185.07715	0.6
193.33401	0.3
241.04959	0.3
258.11047	0.8
261.91364	0.3
298.32733	0.3
301.52692	0.3
313.27188	1.9
419.25650	0.3
441.14075	0.3
478.32901	9.4
496.33939	41.3
497.34064	1.6
515.76135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	7.4
69.07062	5.4
69.96491	10.8
69.96904	11.1
71.04984	9.9
91.05479	5.3
93.07021	10.6
93.36012	2.9
97.02863	6.2
97.06555	3.4
98.21356	4.7
105.06328	6.1
105.07016	79.1
107.08575	8.1
111.08077	8.0
119.08538	12.8
121.10104	5.5
131.08531	17.7
133.10071	7.4
135.11742	3.5
137.09631	5.4
145.10114	32.1
146.10876	12.2
147.11671	21.5
149.05931	10.9
153.09074	7.2
157.10181	5.7
167.07129	7.2
171.11682	7.0
173.09581	50.1
175.11159	35.6
185.06473	6.9
185.08069	100.0
185.09714	6.1
189.12726	4.5
191.10641	43.6
193.12286	8.4
195.11578	3.8
199.11270	5.9
213.12782	7.6
217.08565	3.7
219.10037	4.5
235.13275	40.4
241.12189	6.1
250.66591	3.7
256.61255	3.5
259.13336	31.5
287.12634	4.4
291.17734	5.5
309.18329	6.4
313.17914	9.9
329.17596	6.1
337.17941	11.4
355.18939	12.2
357.16830	16.3
363.23111	6.3
373.19977	4.7
375.17987	81.5
393.18933	14.7
407.22058	4.8
425.23264	12.0
443.24179	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	496.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66138	3.9
55.05504	5.5
63.43204	4.5
63.44330	4.4
65.90390	4.1
67.05503	4.8
69.03423	8.0
69.07066	6.5
71.04977	12.4
71.05695	6.3
71.06030	8.5
79.05446	6.4
81.07053	5.7
82.83153	3.7
83.08612	6.8
91.05484	10.3
93.07010	7.3
95.08591	11.6
96.60281	5.0
97.02906	5.4
98.88801	5.0
104.80894	4.3
105.07012	91.2
107.08561	8.0
111.08059	9.4
114.35033	4.4
117.07049	5.8
119.08565	15.2
121.06525	5.3
121.10125	9.2
131.08508	8.9
133.10117	7.8
135.08095	8.7
137.09595	19.3
139.07486	5.6
143.08646	4.6
145.10130	45.1
146.10857	17.4
147.11685	30.6
149.05956	5.5
153.09131	11.8
155.08525	4.2
157.10133	10.9
167.07013	7.9
171.11684	8.6
173.09596	80.3
175.11153	42.3
178.49847	4.7
181.08530	6.5
185.08070	100.0
185.09706	4.8
189.09059	7.1
191.10619	36.2
193.12238	7.3
199.11182	9.0
201.09071	4.2
213.12683	5.7
217.12204	4.3
235.13258	55.3
241.12059	8.9
259.13351	31.7
269.11801	4.4
278.69846	5.0
309.18423	11.7
313.17990	5.2
319.16660	4.7
326.23901	4.4
329.17325	5.3
335.65912	3.9
337.17780	7.1
355.18973	13.8
357.16818	13.3
373.20117	9.2
375.17947	56.4
393.19019	16.6
425.23212	9.7
443.24316	15.7
505.89011	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	496.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01848	4.5
55.05512	15.8
57.03399	3.4
57.07074	3.9
58.08956	2.2
59.04989	4.8
67.05502	22.2
68.05823	4.1
69.03429	5.2
69.07059	100.0
71.04985	11.7
71.80927	5.5
79.05497	17.3
81.03406	4.4
81.06681	2.6
81.07053	25.5
82.07357	4.7
83.04964	9.0
83.08607	4.1
85.02883	3.3
85.06525	2.7
91.05466	13.5
93.07034	33.4
94.07349	2.8
95.04942	9.4
95.08590	18.4
96.05347	2.2
96.08942	4.2
97.06509	7.5
97.10130	4.0
105.03374	8.6
105.07013	22.5
107.04967	4.6
107.08591	17.3
109.06521	7.0
109.10130	11.5
111.04462	3.6
111.08057	6.1
111.11701	23.5
113.05949	3.4
117.07002	4.0
119.08556	9.8
121.06492	7.7
121.10129	89.9
123.04411	5.7
123.08083	14.9
125.09643	4.2
131.08556	6.8
133.10106	10.9
135.08025	5.8
135.11684	14.7
137.05919	4.1
137.09607	4.4
137.90526	2.3
139.07504	4.0
139.11179	19.6
143.08569	4.5
145.10104	13.0
147.11671	5.1
149.09578	8.4
151.07574	6.4
153.05482	3.4
159.11667	4.1
161.05943	3.1
161.09586	5.2
163.07474	4.4
163.11166	16.7
165.05424	7.4
165.09088	2.5
167.44420	2.6
171.08037	2.4
173.09639	9.6
173.13185	3.0
175.07518	3.6
175.11201	2.9
177.09082	9.0
179.07025	2.9
181.12286	3.1
183.06523	16.5
183.11620	2.9
189.05472	3.9
191.10727	3.0
193.08620	5.2
198.38228	2.5
201.09131	6.2
201.12770	4.6
205.08627	4.3
217.12135	3.0
219.10201	8.0
221.08026	2.9
223.09581	7.4
225.07631	2.9
229.08473	7.0
237.11227	5.7
243.13815	7.9
247.09657	7.3
257.03604	2.6
257.11911	3.1
271.13248	5.6
273.11111	5.2
289.14313	39.6
293.13693	2.4
307.15350	32.7
311.14899	3.4
321.18436	5.8
323.16403	6.1
325.17908	3.5
339.19516	9.8
341.17328	3.8
357.20523	4.7
375.21597	3.2
391.22604	10.0
409.23572	4.9
411.21155	3.5
425.23273	14.0
427.25037	4.0
443.24084	16.7
460.27847	4.3
461.25250	15.6
475.06735	2.6
478.29010	4.8
496.29642	13.6
520.06073	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	496.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42066	1.3
55.01846	1.7
55.05491	5.6
57.07052	2.2
61.02907	1.3
67.05488	9.0
68.05815	2.3
68.74825	1.1
69.03410	1.6
69.07072	5.8
70.93094	2.7
70.93446	2.5
71.04983	8.8
71.55582	1.4
79.05468	6.9
81.07039	10.2
82.07368	1.8
83.04954	2.3
83.08608	2.4
85.02884	2.1
85.06519	1.6
91.05453	12.5
93.07027	24.6
94.07339	1.8
95.04939	3.2
95.08601	11.6
96.08937	1.8
97.06531	2.1
97.10181	1.3
105.07002	7.5
107.08581	36.3
108.08947	1.7
109.06517	1.9
109.10146	6.0
111.08051	4.8
112.73324	1.2
117.37663	1.3
119.08543	6.5
121.06450	1.6
121.10125	6.1
123.08036	9.4
123.11670	1.7
124.08373	2.0
127.80733	1.2
129.06938	1.9
131.08548	2.8
133.10127	11.6
135.08022	1.9
135.11674	100.0
136.12019	1.7
137.09616	1.8
139.07471	3.0
140.07892	1.2
141.06975	1.1
143.08531	4.8
145.10097	3.4
147.08031	1.5
147.11635	1.5
151.07585	1.4
155.08540	1.2
157.10095	4.0
158.10587	1.3
159.08047	1.4
161.09550	2.4
163.07489	1.9
163.11235	1.5
164.11481	1.5
165.09073	2.1
169.10104	4.4
171.11636	2.5
173.09546	2.5
174.09958	1.8
175.11131	1.8
176.11417	1.4
179.10634	2.5
181.08505	1.3
183.11626	5.3
185.13200	5.4
191.07545	1.2
193.12234	1.5
195.27039	1.2
197.13191	4.9
199.14754	2.1
209.13324	1.5
210.13873	1.8
211.10971	1.3
211.14787	7.5
212.15547	3.0
213.16269	11.8
217.12250	1.7
223.13133	2.2
239.17889	3.5
243.13687	1.6
253.19490	20.3
254.20265	5.3
255.21001	6.0
271.20547	5.0
281.19006	2.8
297.18512	2.3
298.19183	2.3
299.20001	47.6
309.13199	1.5
309.18286	1.3
317.21057	1.6
339.19574	1.9
341.24765	1.5
344.19101	1.9
373.20294	1.6
381.24048	6.6
397.23575	1.6
399.25272	7.1
425.17776	2.4
425.23138	32.2
426.23697	1.4
443.24240	81.9
444.24506	2.1
478.28378	1.7
496.29446	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	495.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27733	0.6
55.05508	0.7
57.07081	3.1
60.51836	0.5
67.05476	1.7
69.03413	1.0
69.07063	17.8
70.69319	0.8
70.69675	2.3
79.05496	1.4
80.51244	0.6
80.71754	0.5
81.07038	4.4
83.01329	3.1
89.99877	0.6
91.05470	2.8
93.07013	2.3
95.04918	0.8
95.08603	4.0
97.06509	0.7
105.07008	2.4
107.08588	4.0
109.02911	0.6
109.06496	1.3
109.10142	4.9
111.02421	0.6
117.06981	0.6
119.08549	2.0
121.06506	3.3
121.10117	3.5
123.11678	1.9
127.03904	0.8
131.08546	2.7
133.10104	1.5
135.08035	6.6
135.11665	2.1
137.05913	1.1
147.11632	1.0
149.06010	0.8
149.09592	5.8
149.13228	0.9
153.05406	2.0
159.08063	5.3
161.13225	2.6
162.06779	6.0
163.07542	9.1
165.05469	30.7
167.07025	10.5
173.09529	0.7
175.14871	0.6
177.09099	14.6
181.08595	0.9
187.07541	4.1
191.07031	1.5
191.17886	0.8
203.07068	0.7
203.17944	0.8
205.08580	69.5
205.19489	2.5
206.08957	0.8
217.19501	3.1
219.10138	2.3
221.11722	8.4
223.09627	100.0
224.09982	1.3
229.08493	0.9
233.03700	0.7
237.11208	2.0
247.09596	1.4
266.36755	0.6
287.16534	0.6
291.15930	2.9
321.16794	0.7
321.46497	0.6
327.07846	4.9
369.24197	14.2
369.28839	0.7
383.13840	1.2
427.28421	12.5
439.20422	3.3
439.28342	1.7
495.26529	5.6
495.33459	0.9
496.26361	0.6
501.13589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97698	0.6
53.23465	0.6
55.05483	1.1
56.53527	0.6
67.05502	1.0
69.03426	0.9
69.07066	13.0
70.96840	1.8
70.97209	1.0
79.05439	1.0
81.07027	2.6
83.01323	3.3
91.05465	3.4
93.07030	6.4
95.08597	3.3
105.07018	8.5
107.08581	3.6
109.06470	1.2
109.10150	3.3
117.06978	1.2
119.08539	4.6
121.06483	2.7
121.10146	4.4
123.11684	2.6
131.08542	3.5
133.10112	36.5
135.08054	4.5
135.11684	3.3
137.05949	1.8
147.11682	1.9
149.09605	3.2
153.05423	2.2
159.08070	5.2
159.11578	0.9
161.13243	6.6
162.06776	5.6
163.07532	8.5
165.05457	30.7
167.07018	15.1
173.13289	0.6
175.14812	1.8
177.09097	13.1
177.10547	0.7
177.14882	0.5
183.63832	0.7
187.07506	4.7
203.18030	0.6
205.08575	59.6
205.19537	3.3
215.18083	0.8
217.19495	39.4
218.19986	1.0
219.10222	0.9
221.11711	20.3
223.09618	100.0
224.09930	1.1
237.11162	1.1
291.15900	8.5
339.45508	0.7
369.24234	10.8
425.26941	1.1
427.28394	12.0
428.28409	0.9
439.28275	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.4
57.07069	3.0
63.61309	0.8
67.05489	3.1
69.07059	15.0
70.15672	2.4
70.16084	2.3
71.05007	0.8
74.32327	0.8
79.05491	1.6
81.07047	4.9
83.01336	4.7
83.08620	1.0
88.83382	0.8
91.05460	3.2
93.07036	6.9
95.08604	3.9
98.20657	0.9
105.07006	4.5
107.08579	5.6
109.06507	2.3
109.10149	3.2
115.75025	0.9
116.42046	0.8
119.08551	2.9
121.06479	2.8
121.10126	3.4
123.11726	1.9
131.08563	3.5
133.10130	2.3
135.08022	5.8
135.11716	2.3
135.94038	0.7
137.05978	1.2
143.16956	0.8
145.10132	0.9
147.11659	2.5
149.09564	4.5
149.13249	3.0
153.05467	3.4
159.08034	4.7
159.11665	1.2
161.13235	2.2
162.06764	5.7
163.03896	2.0
163.07556	7.9
165.05463	38.6
167.07013	13.4
177.09094	17.6
177.16452	0.8
181.04961	1.1
187.07466	4.8
189.09103	1.3
191.07050	3.1
191.10674	1.1
195.06612	0.8
201.09138	1.3
203.17928	1.1
205.08580	64.0
205.19478	1.9
206.08882	1.4
211.66492	0.8
215.17993	1.2
217.08600	5.5
217.19498	3.4
219.10133	15.1
221.11684	10.7
223.09624	100.0
224.10065	1.5
229.08556	0.9
235.09583	2.6
236.20471	0.8
237.11209	15.0
247.09674	1.6
273.14871	1.1
291.15854	6.6
299.16351	1.3
327.07834	1.4
355.22601	8.7
369.24203	14.3
371.22232	3.8
399.86786	1.0
425.26648	1.5
427.23059	1.3
427.28406	13.9
439.28293	2.9
495.26343	1.5
495.33813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65612	1.0
55.05493	1.9
56.13344	1.1
57.07066	3.4
61.26549	1.1
67.05485	2.2
69.07054	16.6
69.46790	1.0
71.80876	1.1
79.05475	1.5
81.07042	8.6
83.01331	4.1
91.05470	2.9
93.07038	5.1
95.08590	4.7
96.35659	1.3
105.07025	4.7
107.08572	6.5
109.06483	2.3
109.10128	8.5
119.08549	3.6
121.06510	4.2
121.10114	6.7
123.11682	12.2
127.48591	1.1
131.08574	3.5
133.10092	3.0
135.08028	5.2
135.11705	1.7
137.05815	1.1
140.51265	1.2
145.10094	1.5
147.11681	4.0
149.09625	4.2
149.13222	9.0
153.05455	4.5
159.08049	5.4
161.13202	1.9
162.06770	4.8
163.07507	8.8
165.05450	28.7
167.07016	15.4
175.14871	1.5
177.09076	16.6
187.07542	4.2
191.06975	1.3
195.29947	1.3
199.26968	1.2
205.08571	63.9
217.19540	6.1
219.10167	12.6
221.11743	11.0
223.09610	100.0
224.09978	1.6
237.11122	13.0
291.15933	3.7
327.07697	2.5
355.22629	4.8
369.24094	14.5
427.28482	16.3
439.28134	2.6
495.25986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05493	4.2
57.03435	1.5
57.07054	7.2
59.66854	1.5
67.05495	7.7
69.06685	3.0
69.07054	40.0
71.04996	1.8
71.24403	1.4
71.43258	1.7
71.52061	3.1
79.05475	12.4
81.07047	10.3
83.01328	6.0
83.08594	3.0
91.05457	15.1
93.07024	29.3
95.04958	1.9
95.08597	10.0
97.10139	2.4
105.07018	10.9
107.04951	13.8
107.08573	44.6
109.06512	4.2
109.10146	5.0
115.63228	1.5
117.06965	3.1
119.08561	17.3
121.06462	3.5
121.10126	5.4
123.08059	1.9
123.11655	3.9
128.06284	1.8
131.08533	4.2
131.97061	1.6
133.10100	8.4
135.08041	3.2
135.11671	100.0
136.12007	1.8
137.13222	3.2
143.08565	2.1
145.10083	7.0
149.05914	1.8
149.09688	2.7
153.05426	5.0
155.08514	2.0
157.10176	3.0
159.07976	3.7
159.11687	3.5
161.05980	2.5
161.09592	2.0
161.13257	2.2
161.78198	1.8
162.06734	2.5
163.07521	4.9
163.11218	2.9
165.05418	5.9
173.09564	2.8
173.13258	2.0
175.07622	1.7
177.05539	2.1
177.09102	7.4
179.03435	3.6
179.06966	1.7
181.08644	1.9
183.11693	2.2
185.13225	1.9
187.07526	2.3
187.14778	3.9
189.09079	4.6
191.07115	2.8
195.06561	3.1
197.08182	1.7
198.10365	1.7
201.09035	1.7
201.12823	3.2
203.10600	1.6
203.18024	1.8
205.08554	30.3
205.15645	2.3
215.10674	1.8
217.08566	12.2
219.10167	5.4
221.11636	1.6
223.09627	31.5
229.12262	5.1
235.09604	4.2
237.11169	3.7
241.08623	1.7
247.13187	3.7
257.11655	7.4
257.15527	1.8
273.14890	7.4
275.12708	49.0
283.13422	3.3
287.12790	2.4
291.12286	4.7
293.13708	8.3
301.14316	5.7
305.13736	3.4
309.14914	2.3
325.18100	2.2
329.17603	5.4
339.19388	8.6
343.19009	6.9
344.19812	6.8
351.19470	6.2
357.20502	2.5
369.20474	4.1
391.22516	2.2
409.23676	26.1
427.24741	32.7
437.26584	3.0
459.28992	3.7
477.29639	7.4
495.30975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05493	4.2
57.03435	1.5
57.07054	7.2
59.66854	1.5
67.05495	7.7
69.06685	3.0
69.07054	40.0
71.04996	1.8
71.24403	1.4
71.43258	1.7
71.52061	3.1
79.05475	12.4
81.07047	10.3
83.01328	6.0
83.08594	3.0
91.05457	15.1
93.07024	29.3
95.04958	1.9
95.08597	10.0
97.10139	2.4
105.07018	10.9
107.04951	13.8
107.08573	44.6
109.06512	4.2
109.10146	5.0
115.63228	1.5
117.06965	3.1
119.08561	17.3
121.06462	3.5
121.10126	5.4
123.08059	1.9
123.11655	3.9
128.06284	1.8
131.08533	4.2
131.97061	1.6
133.10100	8.4
135.08041	3.2
135.11671	100.0
136.12007	1.8
137.13222	3.2
143.08565	2.1
145.10083	7.0
149.05914	1.8
149.09688	2.7
153.05426	5.0
155.08514	2.0
157.10176	3.0
159.07976	3.7
159.11687	3.5
161.05980	2.5
161.09592	2.0
161.13257	2.2
161.78198	1.8
162.06734	2.5
163.07521	4.9
163.11218	2.9
165.05418	5.9
173.09564	2.8
173.13258	2.0
175.07622	1.7
177.05539	2.1
177.09102	7.4
179.03435	3.6
179.06966	1.7
181.08644	1.9
183.11693	2.2
185.13225	1.9
187.07526	2.3
187.14778	3.9
189.09079	4.6
191.07115	2.8
195.06561	3.1
197.08182	1.7
198.10365	1.7
201.09035	1.7
201.12823	3.2
203.10600	1.6
203.18024	1.8
205.08554	30.3
205.15645	2.3
215.10674	1.8
217.08566	12.2
219.10167	5.4
221.11636	1.6
223.09627	31.5
229.12262	5.1
235.09604	4.2
237.11169	3.7
241.08623	1.7
247.13187	3.7
257.11655	7.4
257.15527	1.8
273.14890	7.4
275.12708	49.0
283.13422	3.3
287.12790	2.4
291.12286	4.7
293.13708	8.3
301.14316	5.7
305.13736	3.4
309.14914	2.3
325.18100	2.2
329.17603	5.4
339.19388	8.6
343.19009	6.9
344.19812	6.8
351.19470	6.2
357.20502	2.5
369.20474	4.1
391.22516	2.2
409.23676	26.1
427.24741	32.7
437.26584	3.0
459.28992	3.7
477.29639	7.4
495.30975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.05503	19.1
57.03432	12.3
59.04980	1.2
65.03925	2.3
67.05498	27.0
69.03419	3.9
69.07060	8.4
71.04974	6.2
71.67774	1.7
77.36219	1.0
79.05485	29.2
81.03408	68.3
81.07045	32.9
83.04970	15.0
83.08104	1.2
83.08608	29.4
85.02898	36.7
85.06522	2.4
91.05469	36.6
91.06045	1.9
93.07027	18.8
95.04958	29.1
95.08590	11.3
97.02867	3.3
97.06505	5.1
97.10180	6.8
99.08121	1.5
105.07018	28.2
107.04953	6.8
107.08593	8.2
109.06500	6.0
109.10155	4.2
111.04435	3.8
111.08066	12.3
113.05984	2.7
115.05453	1.6
117.06998	2.7
119.08569	20.4
121.06500	2.4
121.10135	10.7
123.08056	2.8
123.11710	2.4
124.66182	1.0
125.09610	2.6
128.06219	1.3
129.06995	12.1
131.08542	13.4
133.06499	4.2
133.10117	11.8
133.33725	1.1
137.09592	1.9
139.07709	1.1
142.07788	4.1
145.10109	2.2
147.08067	3.8
147.11670	18.7
149.09621	6.2
157.10104	16.8
165.12761	3.8
168.89003	1.0
175.11163	15.1
189.11218	1.5
193.12222	57.6
211.13274	81.9
212.13628	1.7
227.12675	1.6
249.14952	1.3
267.15866	13.4
285.17041	4.4
339.59509	1.0
341.20969	1.0
385.23834	2.0
459.27332	6.6
477.28320	10.2
495.29501	100.0
496.29800	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03941	3.4
55.01855	4.6
55.05505	22.8
57.03196	1.3
57.03432	14.7
59.04969	1.8
65.03936	2.4
67.05496	34.1
69.03423	6.6
69.07061	8.7
71.01341	1.3
71.04994	8.0
77.03851	1.0
79.05488	37.9
81.03410	79.7
81.07049	40.8
83.04968	18.9
83.08610	28.6
85.02896	35.9
85.06536	1.8
91.05470	45.2
93.07031	26.3
95.04952	36.7
95.08595	15.6
97.02876	4.3
97.06516	6.1
97.10172	6.5
98.21658	1.8
99.08076	1.8
105.07017	32.2
105.07726	1.7
107.04939	11.1
107.08585	12.7
109.06512	9.7
109.10131	6.3
111.04436	4.7
111.08062	14.4
113.06020	3.5
115.05432	2.6
117.07027	3.2
119.08570	28.1
121.06490	4.8
121.10139	15.3
121.54733	1.1
123.04382	1.2
123.08057	3.9
123.11709	3.5
125.06020	1.5
125.09629	3.8
129.06993	12.0
131.08562	17.5
133.06461	5.6
133.10109	14.3
135.08044	3.1
135.11671	1.5
137.09596	2.4
141.06960	1.3
142.07774	3.9
145.10109	4.2
147.08043	4.3
147.11665	17.2
149.09610	10.6
151.07492	1.3
151.11188	2.2
153.09102	1.5
155.08614	1.9
156.19252	1.1
157.10112	17.0
157.55257	1.1
163.11168	3.6
165.12753	5.1
171.11653	1.2
175.11157	19.0
189.11145	2.3
193.12228	62.2
195.11864	1.1
211.13272	82.3
219.13803	4.0
249.14793	1.9
259.15469	2.5
267.15878	16.4
285.16818	6.9
289.14194	1.3
293.17474	2.3
349.21924	1.0
357.24341	1.4
362.76227	1.2
367.22635	2.6
385.23535	2.1
403.24884	2.3
409.54221	1.2
433.26382	1.1
446.99118	1.1
459.27664	6.9
477.28622	14.7
495.29504	100.0
496.29895	2.4
511.40356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2947
Annotation	Herkesterone
Peak:m/z	Relative Intensity
53.03933	4.1
54.90390	1.2
55.01854	5.1
55.05499	18.5
56.83302	1.1
57.03428	11.8
57.07061	2.1
59.04987	2.4
60.61982	1.0
65.03922	2.8
67.05496	35.5
69.03413	4.8
69.07053	11.7
69.71864	10.3
71.04973	8.2
79.05479	35.3
81.03401	65.2
81.07043	40.9
83.04971	14.9
83.08607	27.1
84.12661	1.2
85.02890	30.6
85.06519	3.3
85.47435	1.0
87.04488	1.2
91.05463	40.2
93.07027	27.3
95.04955	32.4
95.08584	15.1
97.02880	5.2
97.06522	8.6
97.10159	5.9
99.04433	1.1
101.06004	1.2
105.03364	1.8
105.07015	29.8
107.04932	9.8
107.08585	12.1
109.06512	7.2
109.10135	5.4
111.04452	2.7
111.08064	10.8
113.05981	3.3
115.05440	2.7
117.06995	4.3
119.08556	22.5
121.06525	3.0
121.10114	19.6
123.08033	3.3
123.11705	3.3
125.09621	4.0
127.07516	1.2
128.06284	1.2
129.06990	12.4
131.08566	15.9
133.06468	3.0
133.10098	14.3
135.08069	1.5
137.09628	2.0
142.07744	2.9
142.59450	1.1
145.06459	1.4
145.10112	4.4
147.08017	2.6
147.11668	18.1
149.09590	9.0
149.13300	1.9
157.10091	15.3
159.11702	2.4
163.11211	3.2
165.12717	3.8
173.09712	1.7
175.11147	17.6
178.43942	1.3
179.46657	1.1
193.12209	62.0
195.13722	1.7
209.11697	1.7
211.13255	78.6
227.12669	2.4
267.15851	14.8
269.17480	2.5
283.15396	1.9
283.50952	1.2
285.16956	6.5
303.10672	1.0
349.21530	1.6
367.22559	2.3
385.23627	3.0
403.24890	1.6
441.26761	1.4
451.26865	1.6
459.27530	9.0
477.28525	15.0
495.29459	100.0
496.29926	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	495.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50070	2.3
53.15857	2.3
55.05499	15.8
65.72707	2.3
67.05500	37.9
69.03404	4.7
69.07059	3.3
71.04973	6.9
71.24276	4.0
71.24628	4.0
79.05470	8.5
81.07037	9.3
83.01339	4.2
83.04958	11.9
83.08620	2.9
83.34066	2.4
85.02894	13.4
91.05457	11.7
93.07044	26.7
95.04975	5.9
95.08591	80.8
97.06523	5.7
105.07027	17.3
107.08566	8.1
109.06510	2.8
109.10146	4.2
111.08068	27.0
117.06996	4.1
119.08548	8.5
121.06503	9.0
121.10105	5.7
123.04411	2.7
123.07148	5.1
123.08049	100.0
130.07742	3.5
131.08545	5.9
133.10109	5.5
135.08104	2.9
137.05992	3.9
139.07515	35.8
141.05449	3.6
142.07816	3.2
143.08536	4.4
143.46426	2.3
145.10088	10.3
147.11659	5.5
149.05910	2.8
149.09557	3.9
157.10088	4.0
159.08112	3.7
159.11603	3.2
161.09589	3.3
163.11145	6.0
169.10028	3.1
171.08044	4.1
171.11722	3.0
173.09587	38.5
173.10899	3.3
175.07507	4.3
175.11179	11.3
177.09099	4.6
181.08571	3.8
182.10941	2.6
183.08060	3.0
185.09633	3.5
187.07483	3.5
189.09146	6.8
191.10579	4.0
197.04091	2.6
197.09644	4.0
199.11195	3.6
203.10684	2.7
205.08603	8.1
215.10628	4.8
223.09615	11.5
223.14990	2.9
227.10283	2.5
231.10106	2.8
245.11787	4.2
245.15385	3.0
249.11137	7.1
255.13739	3.5
257.15256	2.8
265.12296	3.6
267.13660	4.6
269.15024	3.6
283.13135	5.1
285.14841	9.7
287.16226	2.9
295.13382	3.6
295.16617	3.0
301.14304	16.9
315.15991	4.2
319.16376	2.9
325.17984	4.0
327.19394	2.9
341.17596	4.3
343.19022	13.0
361.20200	3.4
373.21014	3.7
391.22766	6.0
391.80557	2.6
409.23700	12.2
443.24142	10.2
495.29138	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	495.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52967	2.5
51.68301	2.6
53.03936	6.4
53.11952	2.6
55.01865	7.5
55.05508	25.5
57.03416	8.4
57.07059	7.9
57.95909	2.5
67.05495	74.7
69.03424	6.4
69.07058	17.7
70.14690	10.3
70.15105	5.6
71.04982	16.2
79.05479	29.1
81.03406	9.5
81.07041	42.5
83.01315	6.8
83.04970	19.8
83.08611	11.7
85.02898	19.6
85.06535	4.4
91.05468	35.1
93.07026	58.1
93.07582	4.3
95.04973	20.1
95.08591	99.8
97.02852	4.2
97.06516	13.3
97.10145	4.0
105.03374	4.0
105.07010	34.9
107.04936	5.5
107.08591	24.7
109.06510	5.2
109.10136	15.6
111.04439	6.6
111.08070	44.3
113.05984	6.1
117.07001	8.3
119.08581	18.1
121.02833	5.0
121.06493	9.9
121.10142	19.5
123.04388	3.2
123.08050	100.0
125.09628	4.9
125.45631	2.6
129.06966	6.8
130.07800	6.3
131.08536	12.5
133.10106	17.6
135.08047	3.4
135.11674	14.6
137.09584	4.9
139.07512	45.0
142.07762	4.2
143.08536	9.1
145.06477	3.0
145.10077	14.1
147.08028	6.2
147.11684	16.3
149.09610	8.0
149.13219	5.0
155.08595	3.0
157.10100	10.6
159.08008	7.8
159.11668	6.9
161.09567	3.6
163.07532	4.4
163.11211	12.9
165.09082	3.1
165.12691	3.0
169.04958	5.4
169.10127	6.6
171.08026	4.0
171.11665	5.8
173.09595	50.5
175.07582	5.4
175.11229	14.3
177.09109	3.6
177.12714	3.3
179.08499	3.9
181.08562	4.3
181.10092	5.2
181.12195	4.6
183.11658	4.2
189.09094	8.6
189.11143	3.0
191.07022	3.4
191.10641	4.8
193.12230	3.5
195.06430	3.6
195.13840	7.3
197.09653	3.5
201.09076	3.6
203.10629	3.5
205.08615	11.0
205.84473	2.7
211.11331	3.7
211.13255	6.7
217.08540	3.1
217.12183	4.5
219.10017	4.0
223.09639	12.6
227.12552	3.2
231.10135	3.8
243.13834	4.2
249.11014	5.7
253.14264	5.1
257.11862	3.5
267.13522	4.9
267.16083	4.5
269.11838	3.6
269.17612	4.9
283.12976	4.2
283.77649	3.2
285.14819	10.6
287.16415	5.5
289.14206	4.0
301.14368	17.0
307.17206	4.5
321.18390	3.8
325.18079	4.0
341.17337	4.5
343.19223	16.0
353.17395	4.9
361.20212	3.1
373.20236	4.7
385.23923	3.1
391.22641	6.1
409.23804	13.5
410.24063	3.8
425.22903	4.2
443.24478	15.5
459.27438	4.9
477.28491	16.9
495.29514	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	494.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79738	2.8
52.41606	3.4
57.06806	5.9
57.07071	100.0
57.51687	3.4
58.04514	2.9
60.00632	3.1
67.36996	3.1
69.07040	3.8
69.58504	3.2
69.85995	5.6
69.86406	16.5
72.46611	3.1
85.06551	11.4
92.18040	3.3
92.87994	3.3
93.07030	3.8
99.04449	5.2
105.07009	18.0
105.20317	3.4
111.04422	8.2
127.35652	3.0
145.10095	17.5
148.25436	3.2
158.92442	3.1
163.28928	2.9
167.42598	3.5
168.44849	3.1
169.66972	3.0
173.09579	5.6
191.10649	27.2
197.13162	5.4
201.09045	18.7
211.11223	3.7
243.13792	85.0
261.14774	7.7
289.14264	20.5
307.15436	3.9
327.19507	11.2
329.20901	4.9
344.36313	3.2
347.18127	3.3
356.19211	3.3
359.19986	3.5
373.20050	73.2
391.21143	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	100.0
69.75229	15.2
72.75016	2.0
77.41945	2.0
81.41222	2.2
85.06527	10.4
99.04440	3.9
99.21550	2.0
105.07013	15.5
111.04443	12.2
121.10128	3.1
145.10098	13.3
147.11682	2.5
149.06041	3.5
169.04987	3.5
173.09630	3.7
184.53546	2.3
191.10658	22.1
197.13217	3.1
201.09102	9.4
243.13768	91.2
261.14905	5.6
289.14285	13.4
307.15366	5.6
319.75479	2.5
327.19559	22.5
329.21112	3.2
373.20071	47.2
379.50552	2.2
391.21118	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.4
57.07070	100.0
58.70061	1.6
67.05508	7.5
69.07056	14.3
69.58775	8.3
69.59206	7.4
79.05476	5.3
81.07050	41.2
83.04985	2.7
85.06541	10.7
93.07037	7.8
95.08608	30.3
97.06495	2.5
97.10135	1.5
98.20854	5.8
105.07014	3.6
107.08575	6.4
109.10130	6.9
119.08581	5.3
121.10147	9.1
123.08057	2.5
123.11715	5.7
131.08553	2.2
133.10110	4.4
135.08034	3.2
135.11708	13.0
137.06009	1.9
137.09616	2.0
137.13254	10.1
143.08601	2.3
145.10135	4.6
147.11688	2.5
149.09648	2.4
149.13260	2.5
151.07492	2.3
151.11162	3.2
159.11668	4.3
161.09589	2.3
163.07558	2.2
173.13242	2.3
175.11279	2.5
177.09152	2.7
179.10623	3.3
183.10159	1.9
187.11102	2.2
187.14879	3.0
189.12747	2.3
189.16443	2.0
191.14365	3.1
199.14838	2.0
205.12286	5.2
205.15970	2.7
206.16615	2.4
211.14769	1.9
213.16527	2.2
215.17961	4.0
233.15315	3.7
237.14825	6.3
241.19638	1.8
245.15373	2.5
251.16348	3.8
253.19432	1.7
255.21170	3.7
257.22543	7.6
273.21994	2.2
283.20526	2.7
299.20071	3.1
301.21643	18.7
311.19836	2.4
319.22647	7.2
323.14780	3.1
332.47818	1.7
333.20480	2.6
338.18069	1.6
339.19534	1.9
347.22113	9.3
355.22684	2.3
357.20551	3.6
359.22226	3.6
377.19528	4.4
378.84048	1.6
379.26001	1.6
381.19067	1.9
391.20978	2.6
395.25833	4.0
397.27396	5.4
403.28290	1.8
405.24203	2.1
413.26913	6.3
415.28421	46.9
423.25269	8.0
441.26315	34.7
459.27081	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	493.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01865	8.5
55.05250	1.3
55.05504	20.6
57.03435	9.2
57.07045	1.5
59.04976	2.0
65.03934	2.0
67.05157	1.8
67.05497	25.3
69.03407	3.6
69.07052	6.5
70.97028	2.4
70.97359	0.8
71.01331	1.0
71.04980	5.7
79.05482	33.0
80.29585	0.8
81.03407	44.5
81.07046	28.6
82.03729	1.1
83.01330	7.9
83.04968	15.2
83.08608	22.3
85.02896	20.8
85.06512	1.4
89.00626	1.0
91.05471	30.5
93.06439	1.7
93.07032	28.1
95.04956	22.6
95.08588	10.7
97.02866	4.9
97.06521	5.9
97.10135	5.2
99.04423	1.4
99.08043	1.1
103.05446	1.1
105.06361	1.3
105.07019	20.8
107.04950	10.5
107.08575	13.2
109.06493	8.8
109.10136	3.8
111.04423	4.1
111.08060	6.7
113.05982	3.0
115.05436	1.3
116.06268	1.2
117.07007	6.2
119.08573	20.2
121.06486	4.0
121.10126	10.4
123.04435	0.9
123.08043	7.4
123.11691	1.6
125.05999	2.4
125.09583	2.4
127.54929	0.9
128.06165	0.9
129.06981	6.7
130.07785	1.8
131.08533	8.3
133.06468	2.5
133.10109	7.5
135.08038	2.0
135.11670	8.2
137.09595	2.9
142.07758	2.6
145.10094	10.0
147.08041	3.7
147.11662	7.7
149.09625	4.0
149.88245	0.8
151.11203	1.4
153.12715	3.0
155.08479	1.4
157.10129	8.3
162.46742	1.1
163.11177	17.0
165.12788	1.7
173.09590	2.3
175.11154	10.0
181.12239	3.2
191.10612	2.7
193.12219	33.9
209.11665	6.1
211.13271	40.8
219.34976	0.9
227.12793	4.7
249.14937	1.9
267.15894	7.0
283.15442	4.1
370.23584	0.9
383.22052	2.4
401.23056	1.3
457.25690	1.5
475.26648	6.1
493.27881	100.0
494.28305	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	494.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
54.37825	1.3
55.01865	1.9
57.03424	4.3
57.52351	1.3
60.70508	1.3
61.02930	2.2
64.39026	1.3
69.03423	12.1
71.04976	6.7
71.31805	2.5
73.02896	6.0
81.03407	13.5
83.04969	1.7
85.02895	78.8
88.79411	1.2
93.07005	1.3
97.02250	1.9
97.02880	36.6
99.04446	50.6
99.77473	1.4
103.03933	100.0
107.04949	4.8
108.04472	3.2
109.02867	30.6
111.04422	6.0
115.03954	2.9
123.04389	1.9
127.03899	98.4
139.03899	13.0
142.91977	1.5
144.08070	1.8
145.04947	78.6
147.04457	2.4
153.05469	1.6
163.03946	7.4
163.05995	30.6
169.04958	6.3
171.06490	14.2
177.05461	5.4
181.04976	4.7
183.06529	2.9
187.06015	7.2
192.82599	1.9
195.06502	11.9
205.05199	2.8
205.07100	5.0
207.06401	3.0
209.08070	3.3
213.07571	15.2
229.07056	2.2
233.08095	4.7
235.05901	1.5
237.07547	26.6
237.09850	1.9
242.76813	1.5
247.05920	1.2
247.08104	28.7
261.07541	19.0
271.08173	6.0
279.08624	32.0
289.09189	5.5
297.09653	6.5
307.10165	1.9
345.77847	1.4
494.17654	1.8
517.63654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.279
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03934	4.5
55.01865	11.7
55.05248	1.8
55.05502	28.5
57.03435	10.9
57.07050	2.0
58.54990	1.7
59.04990	2.9
62.47271	1.6
65.03931	2.9
67.05496	54.1
69.03413	4.7
69.07066	13.9
70.30547	4.1
70.30965	4.6
71.04974	4.7
79.05483	41.8
79.05941	2.4
81.03409	65.1
81.07049	32.8
83.04974	20.8
83.08612	25.8
85.02905	9.3
85.06524	2.7
86.00639	1.4
91.05466	34.3
93.07030	39.6
95.04959	30.5
95.08604	23.9
97.02877	7.9
97.06531	7.9
97.10151	15.4
98.20747	2.0
99.04449	1.7
104.83154	1.6
105.07033	23.9
107.04939	24.3
107.08584	25.8
109.02843	1.9
109.06509	7.5
109.10144	22.2
111.04440	13.1
111.08061	9.3
113.06081	1.7
117.07000	11.7
119.08569	24.3
121.02846	10.0
121.06484	9.0
121.10117	13.9
123.04398	3.7
123.08051	5.3
125.05997	3.2
125.09617	12.8
129.06970	12.2
131.04984	2.4
131.08551	13.7
133.06497	5.5
133.10118	8.3
135.04417	5.6
135.08038	4.6
135.11687	26.3
137.05930	2.0
137.09612	4.3
139.03885	1.8
139.07507	1.5
141.06993	2.2
142.07787	3.3
143.08553	3.8
145.06476	3.5
145.10103	16.4
147.04385	3.0
147.08043	3.9
147.11646	12.0
149.05983	2.4
149.09621	5.5
153.09114	2.2
153.12744	11.2
155.08539	4.1
157.10101	9.8
159.07930	1.6
159.11703	2.3
161.05957	1.9
161.09566	1.6
163.07565	2.2
163.11171	32.2
169.10175	1.9
171.11591	1.7
173.09680	2.8
173.11699	4.3
173.13176	2.9
175.11159	11.4
181.12224	9.5
183.11650	4.1
185.13243	2.0
189.11226	7.4
191.10571	7.3
193.12224	27.7
201.12773	3.7
207.13797	1.7
209.11710	9.1
211.11220	1.9
211.13237	34.2
219.13872	4.3
227.12759	57.0
228.13106	2.0
229.12285	3.4
229.14345	7.9
231.13782	2.6
247.13260	35.2
247.15710	2.2
249.14886	8.9
259.13303	2.1
265.14444	2.8
267.13217	3.2
267.15891	28.0
275.04672	1.7
283.15372	17.0
321.16904	8.6
354.98480	1.6
355.22870	2.0
365.21518	1.7
373.23483	1.9
383.22046	8.0
401.23199	8.3
419.24295	4.8
457.25781	3.2
475.26874	58.0
476.27377	3.3
493.27954	100.0
494.28192	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	493.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19133	0.2
55.01846	0.4
55.05471	0.7
57.03429	0.4
60.44069	0.2
61.02880	0.2
67.05463	0.8
69.03422	1.2
69.07047	0.4
71.04964	0.4
71.81353	0.3
71.88643	0.2
73.02881	0.3
79.05437	0.9
81.03410	1.1
81.07008	0.7
83.04952	0.6
85.02882	1.8
85.06487	0.4
91.05435	0.7
93.06996	0.9
95.04931	0.9
95.08544	0.8
97.02888	1.2
97.06475	0.2
99.04414	0.2
102.44315	0.3
104.95307	0.2
105.01812	0.3
105.03340	0.2
105.06969	0.9
107.04891	0.3
107.08543	0.9
109.02831	0.6
109.06509	0.4
109.10114	0.6
111.04420	0.5
115.05520	0.2
117.06955	0.3
119.08519	0.6
121.02813	0.3
121.06465	0.4
121.10094	0.7
123.04371	0.3
123.11691	0.3
125.09611	0.2
127.03905	1.2
129.06949	0.3
131.08508	0.7
133.06450	0.3
133.10091	0.6
135.07954	0.2
135.11639	0.4
137.02319	0.5
137.05925	0.7
139.03886	0.2
143.08496	0.4
145.04901	0.3
145.10049	0.6
149.09526	0.3
155.08505	0.3
157.10030	0.3
159.02957	0.3
159.11639	0.3
161.05896	0.4
165.06935	0.7
167.07007	0.8
171.08098	0.3
177.05449	0.3
178.41632	0.2
179.03339	0.3
201.05431	0.6
203.03400	0.9
203.14198	0.2
209.11641	0.3
216.55115	0.2
216.88838	0.2
217.04854	0.4
217.08395	0.3
220.92982	0.2
223.13383	0.3
229.04926	2.7
231.04921	0.3
235.09593	0.5
245.04424	8.8
246.04805	0.3
247.02228	0.2
257.04419	100.0
258.04749	2.0
271.05997	4.6
311.09048	0.7
312.09387	0.4
313.10657	31.0
314.10986	0.9
329.09930	0.5
330.10379	0.3
331.11386	1.6
341.06500	0.4
401.23175	0.4
433.11270	2.0
439.24582	0.5
457.25839	0.7
475.15585	0.9
475.26816	1.4
493.28610	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
57.03424	0.3
67.05484	1.1
69.03412	0.3
70.05920	1.6
71.04973	0.6
79.05469	0.9
81.03391	1.0
81.07052	1.4
83.04984	0.4
85.02886	1.1
91.05463	1.0
93.07055	1.4
95.04926	0.8
95.08598	0.6
97.06517	0.3
104.03252	0.3
105.03378	0.3
105.06992	0.7
107.04985	0.4
107.08580	0.6
109.06506	0.4
109.10135	0.9
111.04442	0.3
117.07002	0.6
119.08569	0.3
121.10143	0.6
125.09621	0.4
131.08534	0.8
133.10114	0.4
135.11694	0.6
137.05988	0.5
145.10127	0.6
147.07954	0.3
149.09657	0.5
163.11205	0.6
165.09039	0.5
167.03305	0.3
169.04782	0.5
173.09573	0.3
175.03758	0.3
175.11215	0.3
179.03256	0.3
181.12297	0.3
185.04184	1.3
186.06529	0.8
187.04471	0.3
187.07280	0.5
191.10631	0.5
213.11317	0.3
227.05324	0.6
245.08031	0.6
257.04373	0.3
267.08395	0.8
313.09482	0.9
329.08282	1.4
349.12485	2.2
363.39999	0.3
383.22067	0.4
391.13409	0.7
416.13623	0.3
431.16687	5.5
433.14578	3.8
439.25262	0.3
457.26010	0.4
475.15744	0.6
475.27011	1.4
493.16760	100.0
493.28311	2.5
494.16986	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
55.05506	12.6
57.03419	3.9
57.07069	100.0
59.04964	4.0
65.03933	3.9
67.05497	22.2
69.03410	8.3
69.07069	19.1
70.03078	16.3
74.09697	10.0
79.05483	25.6
81.03405	6.4
81.07043	24.4
82.07401	2.9
83.01330	5.9
83.04964	10.8
85.02888	3.9
85.06520	11.7
89.22630	2.8
91.05468	29.1
93.07029	27.6
95.04967	14.4
95.08587	30.1
97.06517	8.8
102.06062	3.2
105.07011	40.5
106.07323	3.0
107.04938	9.4
107.08576	26.8
109.06479	9.2
109.10120	10.1
111.04420	11.4
111.08067	10.3
113.05976	3.8
117.06977	6.2
119.08549	33.5
121.06482	11.4
121.10121	22.1
123.04399	4.0
123.08057	25.4
129.06955	7.5
131.08510	12.9
133.06480	5.7
133.10107	58.3
134.15167	2.5
135.08029	35.7
135.11664	19.4
137.05927	3.3
137.09605	12.7
139.07486	7.8
142.07706	3.1
143.08536	11.4
145.10092	15.3
147.08035	2.9
147.11665	18.6
149.05937	6.6
149.09573	6.1
151.07462	4.9
153.05397	2.9
153.09076	6.0
155.08534	9.3
156.09326	8.5
157.10097	19.0
159.08026	4.1
159.11661	24.9
161.09575	12.4
161.13196	8.6
163.07509	3.3
163.11169	7.0
165.05458	6.9
165.09122	6.8
165.82867	2.7
167.07025	4.7
168.09244	4.2
169.10112	10.4
170.10883	3.8
171.08054	5.1
171.11624	24.1
173.09570	21.8
173.13258	7.8
175.07497	3.9
175.11153	24.2
177.12730	6.0
180.09412	3.0
180.93930	3.4
181.10092	5.3
182.10893	4.5
183.11662	8.2
185.09616	8.7
185.13226	9.5
187.11111	12.7
189.09081	5.5
189.12721	15.4
193.10152	5.8
193.12180	6.1
194.10843	2.9
195.11699	10.3
197.09708	4.1
197.13235	14.4
199.11197	10.5
199.14789	8.1
201.09100	6.7
201.12706	5.5
203.10562	3.4
205.12234	3.2
209.13274	6.2
211.11102	4.0
211.14818	5.9
213.12770	12.3
213.16396	4.9
215.10625	3.5
215.14258	9.6
217.08536	3.2
217.12251	6.3
223.11263	4.1
223.14746	4.4
225.12651	9.4
227.10695	3.8
227.14308	8.1
231.10229	3.3
231.13805	7.2
233.13329	3.6
239.14233	7.8
241.12239	12.5
241.15871	9.4
243.13829	24.2
243.16225	3.1
243.17178	3.0
247.13081	3.4
251.14484	5.0
253.12227	2.9
253.15814	6.5
253.19449	3.6
255.13626	5.4
255.17392	11.3
257.15305	3.4
259.13013	14.1
259.90005	2.7
261.15079	3.5
263.18002	4.1
265.19434	3.6
269.15308	8.2
271.17053	3.5
281.19028	13.6
283.20450	11.5
287.12708	7.9
291.17441	10.2
293.18851	15.7
295.17047	4.3
299.19882	8.6
305.13788	10.3
309.18484	37.2
310.91183	2.6
311.20004	47.8
313.17929	4.2
319.16708	6.2
327.19568	28.6
329.21106	14.6
337.17896	38.2
339.19296	2.8
345.20581	5.6
348.44070	2.7
351.25089	6.6
355.18976	74.1
356.19540	4.4
373.20068	60.3
375.21802	3.3
391.21021	6.9
393.23984	4.7
395.25687	6.3
411.25165	7.1
413.26907	3.1
421.23535	3.3
439.24588	12.3
457.25958	12.3
475.26730	6.2
492.29797	12.7
493.27853	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	492.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.7
57.06794	3.5
57.07071	59.7
63.58708	2.2
67.05489	8.5
69.03417	6.1
69.07054	7.2
69.99966	2.0
70.23409	12.7
79.05482	6.2
81.07055	6.8
83.04972	2.9
85.06526	8.1
91.05471	9.9
91.05973	2.2
93.07031	9.3
95.04988	3.2
95.08604	8.4
96.29583	1.9
98.20791	4.0
105.07029	44.9
107.04939	2.3
107.08590	14.7
109.06498	2.2
109.10130	4.8
117.07018	4.3
119.08550	14.9
121.06493	2.5
121.10127	16.6
123.08050	3.8
125.09581	3.4
129.06981	3.9
130.07799	3.6
131.08574	2.9
133.06432	2.5
133.10109	7.4
135.08057	16.1
137.09589	18.5
142.07750	5.0
143.08545	4.5
145.10129	28.6
147.11684	27.2
147.94482	2.0
149.05931	5.1
153.09091	15.2
155.08519	2.2
157.10080	9.7
158.07315	2.0
159.08113	2.5
161.09596	4.3
163.07541	8.2
163.11234	3.0
165.05457	2.8
171.08069	6.5
173.09618	100.0
174.10031	2.6
175.07574	2.7
175.11169	75.0
181.08580	9.5
189.09055	3.5
191.10674	12.2
201.09015	5.2
203.10704	2.0
203.14424	3.6
215.14439	4.0
219.10184	5.2
221.15260	3.0
223.09631	3.4
235.09685	2.6
237.11159	4.7
239.16464	5.4
243.13803	7.0
249.14857	28.1
281.18945	6.4
291.17288	5.8
293.18985	5.3
309.18442	23.1
311.20120	5.4
327.19479	5.9
337.17938	17.5
337.27310	3.5
355.19061	31.9
373.20114	24.7
374.20300	2.7
391.21225	5.8
393.23920	3.7
395.26172	5.3
407.21198	2.3
411.24905	4.3
420.66687	2.5
421.23694	3.0
439.24802	16.7
457.26004	6.8
459.69180	2.3
492.33633	4.1
507.23981	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	492.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01869	1.1
55.05505	1.4
57.00653	0.8
57.03427	2.1
60.56964	0.7
61.02909	2.5
67.05481	1.1
68.67566	0.8
69.03426	12.5
70.06590	1.8
71.04990	3.9
71.81355	1.3
73.02917	4.7
79.05482	1.1
80.58139	0.9
81.03410	15.1
81.07085	0.8
83.04980	1.6
83.66113	0.7
85.02895	69.9
86.03229	1.2
87.04448	2.6
91.03928	1.3
91.05457	2.2
95.04961	1.7
97.02882	41.1
99.04443	43.1
103.03930	66.1
105.07003	1.3
109.02867	19.8
109.06477	0.8
111.04439	1.3
113.02322	4.0
114.40200	0.8
114.44906	0.8
115.03915	2.3
117.07018	2.1
118.07392	1.2
121.10099	0.9
123.04408	2.3
127.03899	100.0
131.03398	4.0
133.10100	1.7
137.02299	4.6
137.05965	1.0
145.04938	63.7
145.06403	2.0
146.06805	1.5
153.01773	1.1
157.04962	1.1
161.05940	1.0
163.06004	42.3
163.11160	1.1
167.07031	18.8
168.07367	8.5
169.04951	7.0
173.04471	4.4
173.05931	3.1
173.09581	1.8
174.06349	3.5
174.09889	1.4
179.89163	0.9
181.04936	3.3
182.05261	1.4
187.05977	4.5
199.06007	1.4
202.06218	0.9
205.07030	1.7
207.06583	0.9
229.04996	1.3
234.08276	1.2
245.04417	15.6
253.07040	3.0
257.04453	2.3
271.08102	13.7
283.05890	1.6
284.06320	2.3
289.09137	8.1
300.06036	1.3
303.04947	28.5
307.10239	3.9
330.10391	1.5
418.15753	1.2
430.84732	1.0
462.18231	2.4
474.25665	5.6
492.19412	14.4
492.26019	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	491.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02469	1.6
54.14251	1.6
55.05476	2.6
57.07067	28.0
65.80433	1.9
69.03419	2.9
69.07055	6.0
69.54700	1.9
69.81056	15.0
79.05467	3.3
81.07052	2.6
83.01328	15.0
83.04982	1.8
85.06513	5.4
91.05478	4.2
93.07030	10.7
95.08580	1.9
98.21458	1.8
99.04449	2.0
102.28938	1.8
105.07017	11.1
105.07607	2.0
107.08589	5.2
119.08546	4.1
121.10133	86.7
123.08051	3.3
129.07077	2.1
133.06477	4.1
135.11699	4.0
142.07735	1.9
144.49948	1.7
145.06435	1.8
145.10120	6.2
151.03860	4.3
156.42517	1.9
157.10118	2.0
159.11754	2.4
163.11154	8.4
164.84724	1.7
171.08069	6.0
173.09584	19.9
175.78975	1.9
183.06491	2.5
183.11674	4.2
185.08089	3.0
185.13234	2.3
187.07533	3.0
187.11256	1.9
190.77202	1.8
191.06956	1.9
197.13284	3.4
201.09105	9.1
203.07039	2.9
203.58281	2.1
211.07397	2.5
213.09082	2.3
215.10736	2.1
215.14282	2.7
225.12695	3.3
228.11375	5.3
229.08568	21.3
229.12120	17.1
243.13794	27.7
253.12248	4.1
271.13235	100.0
272.13654	3.2
285.14752	2.1
289.14340	29.4
290.14359	1.8
303.15845	18.9
311.19812	2.3
329.20898	2.1
339.19550	4.2
340.20349	2.0
355.19016	6.9
357.20581	2.3
373.20078	24.0
405.22745	12.3
441.26071	3.5
515.26440	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	32.3
67.05497	2.8
69.03425	2.9
69.07042	8.4
70.02044	8.5
70.02464	4.7
79.05473	3.2
81.07047	4.0
83.01312	16.3
83.04964	3.3
85.06516	4.1
85.48507	1.9
91.05443	2.8
93.07017	7.1
95.08593	2.8
105.07005	13.9
107.08603	4.6
109.10117	3.1
119.08563	5.7
121.10126	74.4
122.10869	6.7
123.08083	3.4
125.02319	2.3
130.07784	2.2
133.06429	2.8
133.10109	4.5
135.08011	2.3
135.11674	3.1
143.08473	2.2
145.10081	7.8
147.08032	2.2
149.09601	2.2
151.03839	3.5
155.08461	3.5
157.10257	2.8
159.07971	2.6
159.11711	2.6
163.11165	5.9
171.07928	3.1
173.09587	26.3
173.13235	2.6
182.10890	2.1
183.11662	4.2
185.08015	3.0
187.11241	2.2
191.06953	2.4
197.13190	3.7
201.09042	12.8
203.14304	3.6
209.08061	2.8
211.11177	3.5
213.09044	4.1
215.10648	4.5
215.14288	3.2
225.12654	5.5
228.11444	4.8
229.08586	30.0
229.12123	12.6
243.13750	25.0
247.13477	3.3
253.12247	4.7
271.13239	100.0
288.13730	2.1
289.14288	33.9
303.15869	22.2
311.20023	4.1
321.16837	4.8
339.19485	7.0
355.18863	5.4
373.20013	36.9
376.29199	2.0
405.22739	13.4
428.52930	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	491.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.1
57.07070	43.4
62.64139	2.1
65.22161	2.2
67.05459	3.2
69.03414	8.4
69.07070	28.5
69.80308	16.4
79.05476	9.6
81.07037	6.8
83.01340	9.5
85.06532	9.7
91.05472	4.5
93.07028	18.2
95.04912	2.5
95.08587	2.8
97.10147	3.3
98.20754	3.4
105.07028	22.2
107.04956	2.1
107.08572	15.4
109.10193	3.0
119.08580	8.4
121.06527	3.8
121.10131	100.0
122.10439	2.3
123.08068	5.7
123.11642	2.7
125.42558	2.0
127.03882	9.7
131.08542	3.0
133.06465	8.4
133.10089	6.7
135.11699	5.9
143.08572	2.7
145.10077	12.9
147.11653	4.1
151.03888	2.7
153.09071	3.4
163.11145	19.6
173.09616	27.1
185.08083	19.3
191.10648	17.8
193.08752	2.8
197.13197	2.9
203.14273	4.3
207.10155	3.0
209.08090	4.1
209.11679	4.6
215.10751	3.8
215.14345	3.4
229.08694	4.1
229.12291	10.6
233.15199	4.3
235.09644	5.4
243.13756	6.1
247.13287	23.8
253.10640	8.2
259.13239	3.6
271.13239	22.3
271.20435	3.8
289.14362	11.4
289.21570	5.3
303.15842	15.2
315.16162	2.9
315.19531	32.8
321.16931	7.3
339.19537	3.4
355.19000	12.6
357.20432	3.3
371.22168	3.2
373.20062	56.4
391.21115	5.6
423.25031	5.0
441.26221	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	491.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06873	0.3
53.03928	0.5
55.01848	0.3
55.05501	2.8
57.03419	1.2
57.07068	4.7
59.04965	0.4
65.03922	0.7
67.05499	4.8
69.03411	0.5
69.07053	3.0
69.94594	0.3
70.31836	1.3
71.04960	0.5
77.71355	0.3
79.05476	2.9
81.07035	5.1
83.04964	0.8
83.08605	1.1
85.06510	1.1
91.05461	9.0
93.07034	3.5
95.04942	1.1
95.08599	4.9
97.06510	0.7
97.10139	0.6
105.07005	2.7
107.04923	1.2
107.08575	2.4
109.06484	0.5
109.10139	1.2
111.08011	0.5
112.67427	0.3
114.37865	0.3
117.06977	0.8
119.04060	0.8
119.04922	16.4
119.08531	1.4
121.06476	1.9
121.10117	1.5
123.08076	1.5
123.11711	0.5
125.09602	0.5
129.06956	0.4
130.07768	0.3
131.08530	0.9
133.06447	0.9
133.10112	1.0
135.08022	1.0
135.11685	0.8
143.08559	0.4
145.10117	1.7
147.04384	100.0
147.11676	1.8
148.04738	1.2
149.09615	0.4
149.13289	0.3
153.09070	0.3
157.10149	0.5
159.08052	0.3
159.11708	0.6
161.09628	0.5
161.13271	0.4
163.07489	2.0
163.11134	0.5
165.05450	1.6
165.09103	0.3
171.08035	0.6
171.11670	0.7
173.09587	3.0
173.13110	0.3
175.11148	2.0
189.08899	0.4
191.10695	0.6
199.11156	0.4
201.12758	0.4
207.13760	0.5
221.08116	0.4
223.13118	0.5
229.12146	0.7
247.13350	1.1
256.06409	0.3
269.19235	0.3
291.17303	0.5
309.18497	0.6
327.25162	0.5
337.17877	0.8
355.19165	0.5
373.20093	0.4
375.23270	0.4
377.24716	1.0
393.24246	0.7
395.25772	1.7
421.23795	2.3
439.25018	1.8
457.25867	1.0
459.27155	0.8
473.29071	3.0
491.29947	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	491.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.1
53.04127	0.7
54.96491	0.7
55.01792	3.8
55.05433	10.8
55.05725	1.6
57.03350	2.6
57.07016	1.8
59.04936	1.0
61.02848	1.1
61.22458	0.6
65.03860	1.0
67.05418	16.5
67.05800	1.6
69.03342	2.9
69.03671	0.8
69.06975	6.6
70.39361	3.4
71.04900	5.9
79.05399	18.7
79.05903	1.2
81.03322	5.1
81.06960	20.6
81.07483	1.4
83.04979	4.1
83.08608	5.6
85.02804	3.6
85.06451	2.2
90.50975	0.8
91.05470	14.5
91.05991	0.8
93.07030	18.6
95.04956	10.8
95.08593	12.5
97.02843	1.6
97.06426	3.1
97.10156	8.3
98.21450	0.7
103.05405	0.8
105.03353	0.9
105.07014	8.3
107.04935	17.9
107.08576	9.8
109.06501	8.8
109.10136	9.9
111.07944	2.4
115.05349	0.9
117.06996	5.3
119.08559	7.3
121.06489	15.5
121.10130	10.0
122.07224	1.1
123.08054	3.5
123.11695	5.4
125.09620	7.7
128.06102	1.0
129.06973	4.7
130.07652	0.9
131.04836	2.0
131.08556	9.2
133.06383	2.4
133.10022	3.0
135.08058	4.7
135.11601	2.1
137.09601	3.6
137.13141	0.7
141.06895	2.2
142.07605	0.8
143.08469	3.2
145.06468	5.3
145.10065	3.9
147.07913	2.7
147.11594	2.4
149.05843	1.0
149.09499	3.3
149.13155	1.1
153.09013	1.9
153.12567	1.2
155.08455	2.5
157.06371	1.2
157.10027	2.1
158.35402	0.8
159.07971	2.2
159.11594	1.8
161.05904	0.8
161.09525	2.6
161.13243	0.8
163.07553	1.2
163.11195	4.0
165.09100	29.9
167.10562	2.9
169.10022	1.8
171.07927	2.1
171.11612	1.7
173.09543	1.4
173.13170	3.5
175.07506	1.1
175.11124	1.7
183.11583	0.9
185.09586	1.2
185.13182	0.9
187.11073	1.1
189.09174	1.0
189.11104	4.0
189.12593	1.2
191.14198	2.5
193.12216	2.2
195.11688	1.1
197.09598	1.2
197.13219	1.8
199.11101	1.4
199.13234	3.1
201.12700	1.1
205.12170	1.3
213.12627	1.1
215.14308	1.0
217.04846	2.0
217.12082	0.7
219.13707	8.0
227.12683	1.9
231.13655	1.3
233.15268	1.8
237.12669	1.6
237.14795	0.9
239.14375	0.9
245.04437	13.8
249.14839	2.6
255.13826	1.7
257.15433	0.9
261.04056	0.9
269.15085	0.8
273.03897	100.0
273.14752	4.0
274.04236	7.8
275.16324	2.8
281.28281	1.1
287.05511	3.1
293.28369	1.2
311.09070	1.0
325.41583	0.9
329.10150	84.4
330.10464	9.0
339.23175	2.1
349.21634	5.8
357.24176	1.8
367.22635	12.2
385.23679	15.2
399.25385	1.5
403.24908	3.3
405.24036	1.2
417.26511	2.5
441.26202	4.9
459.27408	42.1
460.27914	2.3
473.29135	1.5
491.15500	17.6
491.30170	39.4
492.15839	2.4
492.30228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01852	0.6
55.05504	3.0
57.03432	1.2
57.07069	2.8
58.89688	0.2
65.03929	1.0
67.05146	0.2
67.05495	4.2
69.03403	0.3
69.07061	2.9
71.04981	0.5
71.80257	0.4
78.72979	0.2
79.05478	2.8
81.03400	0.6
81.07047	5.1
83.01316	0.3
83.04973	1.0
83.08611	1.5
84.35993	0.2
85.02869	0.2
85.06506	0.4
91.05468	8.4
91.41746	0.2
93.07037	3.5
95.04968	1.0
95.08009	0.4
95.08595	5.6
97.06505	0.8
97.10147	0.8
105.07018	2.2
107.04942	0.8
107.08575	2.5
109.06505	0.8
109.10143	1.6
111.08051	0.6
117.06979	0.6
119.04929	17.8
119.08573	1.2
120.05227	0.3
121.06494	0.8
121.10129	1.9
123.04443	0.3
123.08064	1.4
123.11676	0.8
125.09598	0.4
129.06999	0.4
131.08545	0.7
133.06494	0.3
133.10114	1.3
135.04384	0.2
135.08073	0.4
135.11691	1.4
137.09587	0.7
139.03885	0.2
143.08586	0.4
145.06403	0.4
145.10156	1.3
147.04388	100.0
147.11649	1.0
148.04752	1.4
149.09550	0.4
151.07646	0.3
151.11127	0.2
157.10086	0.5
159.11676	0.5
161.05949	0.3
161.09637	0.3
161.13283	0.3
163.07491	0.5
163.11127	1.1
165.05453	1.1
165.09154	0.3
171.08066	0.4
171.11632	0.2
173.05946	0.3
173.09592	1.6
175.07529	0.3
175.11125	0.4
177.09282	0.2
181.08566	0.3
187.11145	0.3
189.09087	0.6
191.10683	0.6
195.11667	0.2
197.07977	0.2
197.13260	0.3
211.11221	0.3
215.10541	0.2
217.08614	0.3
217.19395	0.3
220.16916	0.2
221.07950	0.4
223.13252	0.3
227.12798	0.8
229.12268	0.2
235.20596	0.3
249.15010	0.3
269.12045	0.2
269.15256	0.3
273.03812	0.2
275.19867	0.3
279.15802	0.2
284.33719	0.2
287.16653	0.2
309.24286	0.4
327.25281	0.5
371.18509	0.2
389.19580	0.4
407.20526	0.3
442.37564	0.2
455.24130	0.3
459.27371	0.3
473.29379	1.7
486.61661	0.2
491.29770	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2997
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.01602	2.1
53.03938	11.0
55.01851	6.1
55.05505	30.2
57.03432	14.1
57.07050	2.4
65.03902	2.9
67.05495	57.1
69.03400	4.9
69.07057	14.8
71.04971	6.1
73.06502	2.0
79.05486	79.0
81.03407	71.7
81.07047	69.9
81.07536	2.6
83.04968	18.1
83.08611	26.6
85.02895	10.1
85.06507	3.6
91.05467	100.0
93.07029	65.7
95.04956	47.3
95.08598	29.9
97.02874	3.1
97.06512	6.9
97.10150	7.5
98.20649	3.5
103.05454	2.2
105.07014	64.9
107.04967	9.8
107.08581	21.2
109.06510	8.7
109.10137	7.7
109.86092	1.9
111.08063	11.9
115.05413	3.4
117.06995	19.4
119.08571	41.5
121.06490	8.2
121.10134	10.4
123.08019	9.9
123.11713	10.1
125.09621	4.4
127.07526	2.3
128.06197	4.0
129.06973	27.0
131.08575	13.2
133.06496	4.2
133.10106	19.5
135.11711	3.3
137.09625	2.8
141.06969	3.2
142.07776	3.7
143.08557	17.4
145.10085	13.1
147.08034	4.3
147.11667	37.6
149.09612	5.1
151.11234	2.3
155.08546	3.8
157.06432	2.4
157.10089	12.3
157.11217	1.7
159.11670	2.6
161.09674	3.6
161.13231	11.5
163.11147	3.9
165.09100	4.0
165.12605	2.2
167.08475	2.7
171.11653	25.7
173.09540	2.0
175.11171	11.5
185.13312	2.3
187.13252	6.9
189.11244	2.7
189.12686	11.7
193.12225	37.5
207.13785	34.1
211.13286	25.5
225.14848	2.6
227.12823	6.9
229.15912	3.5
229.88106	2.0
231.13785	3.3
243.15875	5.4
249.14854	10.8
263.16483	1.8
267.15869	40.2
274.30997	2.0
281.17453	41.9
305.17493	5.0
345.22437	2.5
351.25259	5.1
356.63126	1.8
363.23093	5.0
381.24323	4.1
399.25348	5.8
417.26013	3.2
455.27881	4.2
473.28961	96.2
474.29474	5.0
491.30008	60.2
492.30450	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	491.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	2.2
51.02364	2.2
53.03933	10.3
55.01879	12.2
55.05507	41.0
57.03429	16.5
57.07076	4.8
59.04979	2.6
65.03920	4.3
67.05496	80.3
67.88212	2.0
68.20256	2.1
69.03407	4.4
69.07063	22.4
70.36868	4.5
70.37278	6.3
71.04971	8.7
79.05484	83.9
81.03410	74.0
81.07047	78.5
82.07404	2.2
83.01334	3.7
83.04972	23.7
83.08610	30.4
85.02896	12.3
85.06531	3.8
91.05471	100.0
91.60285	2.6
92.98502	2.6
93.07033	80.5
95.04962	46.4
95.08598	35.3
97.02874	6.5
97.06507	9.9
97.10159	13.8
99.04418	3.1
103.05444	3.0
105.06359	4.3
105.07023	65.8
107.04952	21.2
107.07382	3.5
107.08575	31.2
109.02832	3.3
109.06512	17.7
109.10120	10.2
111.04384	4.5
111.08054	10.1
113.05957	2.5
115.05419	2.8
117.07018	22.3
119.08572	42.1
121.06463	7.9
121.10117	14.6
123.04407	4.3
123.08049	13.7
123.11693	12.8
125.09639	10.8
128.06160	5.5
129.06984	25.9
130.07732	3.2
131.08556	18.6
133.06477	6.5
133.10109	26.2
135.08022	4.5
135.11687	12.6
135.34053	2.3
137.09651	4.4
141.06886	3.2
142.07715	2.9
143.08575	13.9
145.06465	5.3
145.10107	22.2
147.08026	8.1
147.11661	38.2
149.05997	3.1
149.09587	8.1
151.11087	2.5
153.12717	5.5
155.08501	7.0
157.10094	10.6
159.08029	4.0
161.05908	2.7
161.09595	6.9
161.13232	9.5
163.11142	17.2
169.10144	2.9
171.08049	2.6
171.11681	27.6
173.09610	6.6
175.11165	9.9
181.10172	3.2
181.12213	3.2
185.13211	3.0
187.13194	5.9
189.11171	5.2
189.12738	9.5
191.10649	3.9
193.12213	28.6
199.10922	2.4
207.13797	23.6
209.11612	12.7
211.13226	15.7
218.15288	2.6
220.16948	10.6
227.12778	14.4
231.13760	3.6
236.16423	5.1
238.18010	13.1
243.15869	4.8
245.04178	2.2
249.14799	7.1
254.17439	5.9
256.19104	2.8
267.15854	39.7
273.03873	13.2
273.18796	2.6
281.14252	3.2
281.17426	33.9
285.03842	5.4
299.05493	2.7
305.17368	7.3
315.04932	3.7
317.72388	2.4
329.10141	12.0
363.23120	3.5
381.24326	3.1
399.25003	7.2
417.26544	2.8
421.25662	2.6
439.24554	3.8
455.28458	4.8
473.14243	5.7
473.29138	78.0
491.15152	5.8
491.26392	28.1
491.28751	22.6
491.35953	38.5
492.26770	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	491.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82473	1.8
53.03927	5.8
55.01867	3.3
55.05501	25.8
56.47235	1.9
57.03431	9.5
57.07060	3.3
57.16566	1.8
59.04993	3.3
65.03925	4.7
67.05493	43.1
69.03400	3.9
69.07060	10.2
70.52928	4.2
70.53352	6.0
71.04958	4.9
79.05483	50.7
81.03403	48.6
81.07047	52.3
83.04984	10.6
83.08606	20.1
84.82915	1.8
86.41758	2.1
91.05465	78.8
91.06035	4.2
93.07033	41.5
95.04951	26.8
95.08611	21.6
97.06501	4.8
97.10143	13.7
105.07022	38.9
107.04920	6.0
107.08574	14.0
109.06516	6.6
109.10122	5.8
111.08079	7.7
115.05456	2.6
117.07010	15.1
119.04884	3.2
119.08559	25.1
121.06506	5.0
121.10110	5.7
122.06816	2.0
123.08041	7.8
123.11678	14.9
125.09609	7.1
128.06207	4.0
129.06985	20.0
131.08560	14.9
132.92526	2.3
133.06459	5.4
133.10114	12.4
135.08017	4.4
135.11708	3.5
137.09572	2.3
141.06963	4.0
143.08533	12.0
145.06461	2.9
145.10121	13.6
147.08009	6.7
147.11644	22.9
149.09631	3.3
153.06937	2.3
155.08545	4.4
157.10130	7.7
161.09555	3.6
161.13283	4.5
163.11130	2.7
169.10127	4.9
171.08057	3.5
171.11699	15.1
173.09665	2.4
175.11093	5.7
181.10133	3.1
185.13155	4.9
187.13263	7.9
189.11224	2.8
189.12730	4.8
193.12198	15.3
200.09593	2.0
207.11917	3.2
207.13716	14.8
227.12761	7.1
231.13771	4.7
243.15836	5.6
249.14706	9.3
260.63132	2.4
267.15851	36.3
277.17868	3.1
281.17435	36.5
305.17401	10.8
363.22983	4.0
381.23944	2.9
399.09879	2.2
399.25089	7.5
407.84094	2.1
417.26239	3.3
421.25833	3.1
455.27838	4.6
473.28989	100.0
474.29190	4.0
491.30408	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	491.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
55.05511	5.4
57.03410	1.8
57.06802	1.3
57.07068	22.9
62.94684	0.7
63.84767	0.9
65.03928	1.6
67.05492	9.1
68.99765	0.8
69.03407	2.5
69.07066	3.4
69.89660	5.0
71.04962	1.0
71.47507	0.8
75.04467	1.9
79.05482	6.2
81.07043	10.0
83.04958	1.4
83.08601	2.2
85.06530	6.8
91.05465	12.5
91.16385	0.6
93.07034	9.6
95.04951	2.4
95.08589	9.9
96.27831	0.7
97.02889	0.8
97.06535	1.9
97.10141	1.4
105.07018	12.4
107.04944	2.2
107.08576	7.3
109.06490	3.0
109.10168	1.3
111.04414	0.7
111.08079	1.6
112.54469	0.7
117.07001	2.3
119.04065	1.2
119.04922	17.5
119.08561	6.9
121.06499	8.3
121.10121	3.5
123.08053	4.3
123.11688	0.9
125.09586	0.8
127.07541	1.4
129.06993	2.2
130.07715	1.4
131.08543	2.7
131.21904	0.8
133.06500	5.6
133.10120	3.2
135.08038	7.7
135.11674	1.5
137.05948	1.4
137.09583	1.6
138.25867	0.9
142.07718	1.0
143.08557	2.9
145.06473	1.8
145.10097	9.8
146.10962	0.7
147.04388	100.0
147.11647	6.8
148.04756	0.8
149.05940	0.8
149.09633	1.9
151.07532	0.7
155.08527	1.4
157.10123	3.1
159.08026	2.5
159.11653	2.3
161.05896	1.0
161.09639	1.2
161.13255	1.2
163.07509	13.1
163.11124	2.1
165.05455	2.4
165.09052	1.3
169.10158	1.4
171.08057	2.8
171.11691	1.9
173.09593	19.0
175.07549	1.4
175.11157	14.2
181.10092	1.2
183.11716	1.3
185.13254	1.5
187.07629	0.9
187.11157	1.5
189.09113	1.9
189.12682	1.0
191.10646	2.8
193.10190	0.9
193.12218	0.9
195.11580	1.7
199.11235	1.7
199.14778	0.9
201.08972	1.1
201.12758	3.0
203.14319	1.2
205.12341	1.0
209.13371	1.1
211.11234	1.1
213.12698	1.0
221.15465	0.8
229.12193	3.8
231.13803	2.9
237.12810	0.8
238.18039	0.9
243.13727	0.9
247.13275	7.3
249.14737	0.9
255.17497	1.2
261.89697	0.8
263.18024	0.8
265.14349	2.5
283.13553	0.7
283.17020	1.9
291.17389	3.8
293.18930	2.1
299.16318	1.3
301.14307	2.1
308.13815	0.8
309.18445	2.9
311.20294	2.7
319.16888	2.7
327.19363	0.9
332.11655	0.9
337.17917	4.2
355.19070	3.1
359.23715	1.9
373.20102	2.2
375.23132	3.3
377.24658	5.8
393.24084	5.8
395.25766	9.9
403.22534	1.4
413.26697	1.9
421.23666	18.3
429.26227	1.0
439.24838	10.5
443.57858	0.7
455.24127	1.7
457.25848	6.6
459.27158	1.4
473.28796	3.3
474.14520	1.9
491.29623	6.0
491.35489	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03205	1.7
53.03946	2.2
54.22551	1.6
55.01859	2.3
55.05505	11.4
57.03426	2.2
57.07065	100.0
63.12222	1.7
65.03897	2.7
67.05496	22.1
69.03424	6.2
69.07048	8.6
71.04974	2.6
75.04459	5.2
79.05479	19.0
80.33073	1.9
81.03404	5.0
81.07047	17.1
83.01328	2.4
83.04971	6.2
83.08627	3.8
85.06532	13.2
91.05458	18.2
93.07027	23.3
95.04958	7.6
95.08601	22.5
97.06489	3.7
97.10173	3.8
97.82605	1.9
105.07008	36.8
107.04942	3.8
107.08575	19.9
109.06481	6.3
109.10119	3.9
111.08058	5.3
117.06997	8.3
119.08559	24.8
121.06497	16.6
121.10130	13.3
123.04429	4.5
123.08041	12.9
125.05990	2.3
125.09568	2.4
127.07561	4.1
128.06267	2.9
129.06990	9.0
130.07751	4.1
131.08519	11.9
133.06482	24.6
133.10124	13.8
135.04388	2.1
135.08023	23.4
135.11676	5.3
137.05984	4.6
137.09615	4.4
139.07483	2.8
141.06839	1.9
142.07719	3.5
143.08478	9.1
145.06421	3.1
145.10097	42.0
147.04401	1.8
147.08011	7.4
147.11668	27.7
149.06013	4.7
149.09587	5.4
151.07520	3.8
151.11209	3.2
155.07051	2.9
155.08569	3.1
157.10123	14.2
159.08055	4.8
159.11674	8.6
161.09689	4.7
163.07507	24.2
163.11168	6.4
165.09117	5.8
169.10110	6.4
170.10953	2.9
171.08009	14.8
171.11713	9.3
173.09590	93.8
173.13281	2.5
175.07542	6.7
175.11174	34.9
179.08469	2.7
181.10188	5.0
183.11699	7.5
184.12239	1.9
185.09637	3.8
185.13258	5.1
187.11172	5.3
187.14789	2.5
189.09047	5.3
189.12727	3.4
191.07025	2.3
191.10638	9.9
193.08649	3.3
193.10258	2.7
193.12270	2.4
195.11679	3.5
197.09628	5.4
197.13252	4.7
199.11237	11.9
199.14809	2.6
201.09019	3.1
201.12704	4.0
201.77921	1.8
203.10814	2.2
203.14294	4.3
207.11816	2.7
208.12460	2.2
209.09656	2.6
209.13303	4.6
210.10358	1.9
211.11172	5.6
211.14680	3.8
213.12807	5.4
215.10657	4.5
215.14259	2.6
217.08594	3.3
217.12132	3.0
219.11920	2.1
219.13847	5.3
220.12477	1.9
221.13313	4.1
221.15248	3.8
223.11230	4.0
225.12794	3.5
227.12724	4.0
229.12241	5.6
231.13773	14.4
235.14798	3.8
237.12823	2.8
237.16344	4.2
239.14427	2.3
241.12186	2.2
241.15913	2.4
247.13286	8.1
248.15512	2.8
249.12683	3.5
249.14886	4.5
253.12228	2.4
253.16045	3.9
255.13893	4.5
255.17413	6.3
277.15805	3.3
279.13354	2.0
281.15335	5.3
283.13239	5.4
283.16876	11.2
283.19742	2.2
287.16757	2.2
291.17386	19.3
293.18741	9.0
299.16284	5.8
301.14212	13.7
301.17557	2.0
303.17276	4.7
309.15021	4.1
309.18250	15.5
311.20010	9.9
319.16797	9.0
321.18320	2.7
327.16046	2.2
327.19598	5.0
337.17984	24.0
344.20401	2.1
349.25214	4.7
353.24612	6.8
355.19077	12.2
359.23392	9.1
373.20038	8.5
375.23099	17.3
377.24570	26.3
393.24179	4.9
395.25714	48.4
413.26855	16.3
421.23645	27.7
429.26392	7.2
439.24701	14.7
455.24005	4.1
457.25778	32.2
480.76474	2.1
491.25754	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	491.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99883	0.3
53.03927	0.9
54.50719	0.3
55.01865	3.2
55.05504	14.8
57.03429	2.2
57.07035	1.2
57.07298	0.4
59.04966	0.6
60.85729	0.3
61.02907	0.4
62.77235	0.3
65.03917	0.8
66.29267	0.4
67.01864	0.3
67.05494	11.8
68.99787	0.5
69.03104	0.3
69.03413	3.1
69.07056	6.0
71.04673	0.3
71.04987	3.1
79.05482	14.4
81.03018	0.4
81.03407	3.7
81.07042	15.2
83.04964	2.2
83.08605	8.9
85.02885	3.1
85.06511	1.6
91.05470	7.9
93.07029	11.7
95.04415	0.5
95.04957	6.4
95.08589	7.6
97.02866	1.5
97.06510	1.8
97.10158	16.6
99.04442	0.5
99.08087	0.4
103.05438	0.7
105.07021	6.5
107.04945	11.7
107.07929	0.7
107.08578	9.0
109.02831	1.2
109.06507	6.1
109.10143	5.6
111.04425	0.7
111.08081	1.8
111.11697	0.6
113.09624	0.4
115.05399	0.6
116.29916	0.3
117.06996	3.7
119.04941	0.5
119.07840	0.4
119.08568	4.3
121.02842	0.8
121.06490	8.7
121.10134	4.9
123.04425	1.0
123.08038	1.7
123.11682	2.1
125.05959	0.6
125.09613	12.6
128.06181	0.6
129.06976	2.4
131.04871	1.5
131.08540	6.5
133.06462	1.9
133.10144	2.6
135.04419	0.4
135.08035	3.4
135.11627	1.4
137.05939	0.6
137.09573	1.0
137.13203	1.0
139.07471	0.4
139.11122	0.9
141.06978	0.9
141.09067	0.3
143.08557	1.9
143.10655	0.7
145.06454	2.8
145.10124	3.2
147.04323	0.7
147.07974	2.0
147.11632	1.5
149.05878	0.5
149.09596	1.8
149.13234	1.4
151.03848	0.5
151.07576	0.5
151.14871	0.4
153.07086	0.5
153.09076	1.3
155.08487	1.3
157.06419	0.9
157.10078	1.3
159.08035	1.3
159.11644	1.5
161.05930	0.7
161.09593	2.3
163.11157	2.3
163.14790	0.9
165.09102	3.7
167.10625	1.2
169.10068	1.1
171.08002	1.0
171.10190	0.9
171.11597	0.9
173.09631	1.0
173.13251	2.2
175.07526	0.6
175.09679	0.4
175.11113	1.1
179.10706	0.7
181.10088	0.7
183.11652	0.9
185.09534	0.7
185.13306	0.5
186.13631	0.4
187.14789	0.6
189.09224	0.9
189.11174	9.0
189.12852	0.8
191.14214	3.1
193.12209	1.3
195.11647	0.8
197.13199	0.4
199.11224	0.5
199.13208	1.4
201.05475	0.4
201.12720	1.2
205.12163	0.9
207.10159	0.5
209.09593	0.3
209.11580	0.5
211.11272	0.5
213.12779	0.9
215.14342	0.7
215.29112	0.4
217.04976	2.4
217.12228	0.5
219.11652	0.8
219.13768	13.6
219.21004	0.5
221.11607	0.4
223.13255	0.5
225.11024	0.6
227.12619	3.3
229.04893	0.7
233.15295	1.2
237.14792	0.4
245.04424	12.6
245.11673	0.6
246.04803	0.8
247.13124	0.6
247.16953	0.5
249.14792	1.7
255.13855	0.9
257.04379	2.6
257.15378	0.5
258.05130	1.0
259.06006	0.5
263.12634	2.0
267.16077	0.4
271.16904	0.6
273.03897	100.0
273.14642	2.1
274.04211	5.6
275.16388	2.6
275.27280	0.6
281.13788	0.5
281.28348	0.4
285.03891	6.8
286.04721	3.1
287.05414	3.0
293.17480	0.7
293.28458	0.9
296.06827	1.0
297.03925	0.8
297.07220	0.5
299.05408	2.2
310.04489	0.5
311.05441	0.6
311.09109	0.8
313.03482	0.6
315.04913	7.6
325.07025	1.5
329.10144	83.0
330.10516	5.4
339.04932	1.2
339.22995	0.7
341.10190	1.1
345.06003	0.7
349.21255	2.2
353.06442	0.9
353.21014	0.6
357.24274	0.8
367.22623	5.9
369.06320	1.3
371.11105	2.7
371.22137	1.1
381.06094	1.5
381.20474	1.0
385.23666	7.2
389.23206	2.0
399.06998	2.0
399.21628	1.5
403.24802	2.3
407.24112	0.5
417.08578	0.7
417.26804	0.7
423.25177	0.6
425.12592	0.8
437.12155	0.5
441.26193	2.1
445.25775	4.4
455.13443	2.4
455.23834	0.4
459.27377	19.6
460.27475	0.4
463.26645	2.8
473.14438	5.4
473.24338	3.3
491.15381	29.2
491.26160	13.5
491.30136	11.4
492.15790	2.4
492.26642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72372	0.4
53.03931	0.8
55.01851	0.5
55.05489	1.2
57.03426	0.8
57.07062	0.6
61.01131	2.5
67.05479	1.9
68.99774	1.4
69.03410	1.8
69.07056	0.6
70.69557	0.9
70.69910	1.2
72.04514	3.7
78.03782	5.0
79.05483	1.7
81.03398	0.8
81.07026	2.5
83.04970	1.2
83.08598	0.4
85.02896	4.2
85.06527	1.1
88.02200	2.2
91.05449	1.4
93.07007	1.8
95.04947	1.4
95.08596	1.7
97.02873	1.6
97.06520	0.7
97.10140	0.5
99.05563	0.7
102.03757	7.5
103.03940	1.1
103.05446	2.4
105.07011	1.5
107.04951	1.1
107.08576	0.9
109.10108	1.0
114.03745	0.7
115.05459	2.6
117.06996	1.1
119.08575	1.2
120.04842	0.6
121.06524	0.7
121.10112	0.7
123.04407	1.0
123.11638	0.5
127.03922	1.4
128.04243	0.7
128.06265	0.5
129.03349	0.8
129.06966	0.6
130.08635	0.6
131.04893	1.2
131.06378	4.7
131.08511	0.8
132.04758	5.6
133.06468	0.6
133.10117	1.0
139.05402	10.4
140.49503	0.4
141.06956	2.4
142.08609	1.8
143.04875	1.5
145.02803	0.5
145.04869	0.7
145.06474	1.8
147.08075	0.5
149.07423	46.0
152.04716	0.5
157.06479	3.7
159.05832	1.3
161.05991	0.6
163.07523	1.3
163.11118	0.5
163.53943	0.6
165.09099	1.2
167.04950	2.2
167.07025	7.0
171.04390	3.2
173.05942	1.4
173.09528	0.8
175.05342	0.9
175.11147	0.7
181.04947	4.2
184.09663	1.0
185.05945	1.1
189.09026	0.5
191.07014	5.5
195.04390	6.0
202.47136	0.5
205.08563	0.5
213.05443	100.0
214.05768	1.3
217.04869	0.8
219.10149	0.5
229.04932	1.0
233.07939	0.9
235.09708	0.8
241.04945	1.1
243.11560	0.8
245.04407	5.4
255.06584	0.6
257.04398	6.6
261.03973	0.5
261.12662	22.9
265.07837	0.5
269.04291	3.1
271.05246	0.6
273.03912	43.8
274.04263	1.1
281.07947	0.9
282.05246	1.0
282.08319	1.0
283.05930	0.7
283.08646	0.8
284.09192	3.0
285.04108	0.9
286.04208	0.8
287.05194	1.6
293.07980	1.2
296.06488	0.6
299.05368	1.0
309.07669	1.1
310.07654	1.2
311.09076	11.5
327.08630	3.8
328.08942	4.8
329.10101	52.6
330.10416	1.4
361.12088	7.6
377.01553	0.5
399.21307	0.5
425.65323	0.5
437.23489	0.7
455.24435	0.8
461.18060	0.7
473.17270	4.4
473.25266	2.4
483.54645	0.6
491.14264	8.5
491.26526	2.3
491.34180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.9
55.01862	1.5
55.05500	6.7
57.03396	0.8
57.07037	0.7
59.04964	0.4
61.02883	0.6
67.05496	5.7
69.03424	2.2
69.07053	2.8
70.79160	1.2
71.04969	1.7
73.02878	0.4
79.05486	7.3
81.03403	2.4
81.07045	7.1
83.04929	1.5
83.08609	4.1
85.02908	2.2
85.06477	1.4
91.05463	4.4
93.07027	7.1
95.04970	3.0
95.08585	4.7
97.02835	1.0
97.06469	1.2
97.09591	0.5
97.10154	6.9
99.04406	0.4
105.07011	3.9
107.04941	5.9
107.07906	0.3
107.08578	4.0
109.02797	0.9
109.06499	2.7
109.10140	3.2
111.08039	0.6
111.11716	0.3
112.69783	0.3
117.06988	2.1
118.25550	0.3
119.04929	0.4
119.08581	2.2
121.02753	0.4
121.06491	4.9
121.10116	2.9
123.08016	1.1
123.11657	0.8
125.09614	5.8
127.03862	0.8
128.06178	0.4
129.06938	1.6
130.07729	0.3
131.04874	0.5
131.08569	3.1
133.06418	0.9
133.10075	1.0
135.08043	1.9
135.11650	0.8
137.09557	0.8
139.11110	0.5
141.06911	0.5
143.08485	0.9
145.06453	2.0
145.10092	1.7
147.07973	1.4
147.11594	0.6
149.05956	0.4
149.09555	1.0
153.09058	0.7
155.08493	0.8
157.06447	0.4
159.07986	0.7
159.11636	0.6
161.09550	1.3
163.11115	1.0
165.09090	2.2
167.10641	0.7
169.10222	0.4
171.08008	1.0
171.10262	0.4
171.11664	0.6
173.09586	0.6
173.13170	1.1
175.07460	0.7
175.11090	0.4
179.10771	0.3
185.09505	0.3
187.11185	0.4
189.11185	3.6
189.12770	0.4
191.14281	1.0
193.12134	0.9
199.11165	0.3
199.13228	0.8
201.12640	0.7
214.42174	0.3
215.14333	0.4
217.05013	1.9
217.12254	0.6
219.13780	6.0
227.10657	0.5
227.12589	1.7
233.15314	0.6
245.04424	10.3
247.13240	0.4
249.14838	1.1
261.04007	0.5
263.12604	0.7
271.16913	0.4
273.03897	100.0
273.14807	1.0
274.04285	1.0
275.16376	1.1
282.05173	0.5
283.09665	0.4
285.03903	1.5
286.04764	0.7
287.05515	2.6
289.18057	0.4
293.28455	0.6
296.06863	0.5
299.05399	0.6
311.09232	0.7
315.05099	1.9
325.07141	0.6
329.10150	87.5
330.10468	1.7
339.05060	0.4
341.10269	0.4
349.21661	1.5
357.24173	0.6
367.22656	3.8
371.11475	0.8
371.21982	0.5
381.20651	0.5
385.23694	4.3
389.23032	0.7
399.06958	0.5
399.21744	0.6
403.24802	0.7
406.76089	0.3
441.26276	1.1
445.25885	1.8
455.13544	0.5
455.24231	0.5
459.20923	0.6
459.27396	12.5
463.26886	1.4
473.14389	1.3
473.25479	1.3
491.15466	22.3
491.26318	4.1
491.29993	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	491.1542
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
50.50595	0.1
53.03948	0.2
61.02899	0.2
64.24313	0.2
65.03911	0.2
67.05499	0.8
69.03389	0.5
71.04965	0.4
73.67355	0.2
81.03382	0.3
81.07038	0.2
85.02892	2.3
85.50739	0.2
97.02912	0.3
103.75304	0.2
109.02847	0.2
137.02293	0.7
145.04892	0.3
165.09145	0.2
167.06999	0.4
203.03334	0.4
213.05484	0.6
228.04156	0.3
229.04965	1.4
229.86229	0.2
231.03046	0.2
237.05444	0.2
237.08926	0.3
241.04903	8.3
245.04364	1.0
247.02370	1.0
250.06224	0.5
251.06888	0.2
253.04951	0.6
255.06467	1.6
257.04413	27.2
258.04794	0.5
265.08624	1.5
267.06598	0.3
268.03619	0.7
269.04425	9.8
269.08002	1.9
271.06104	0.6
272.64389	0.2
275.06897	0.3
278.05704	2.5
281.04428	2.1
282.05185	4.4
283.05957	2.9
283.09537	1.0
287.05441	0.3
293.08020	5.8
295.05936	0.8
296.06781	3.6
311.09085	100.0
312.09351	1.5
324.59460	0.2
329.10153	1.9
330.83160	0.2
362.03497	0.2
465.94162	0.2
473.14474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1544
Annotation	Scutellarein 6,7,4'-trimethyl ether 5-glucoside
Peak:m/z	Relative Intensity
53.03932	0.5
53.74662	0.2
55.01847	0.5
57.03397	0.3
58.82068	0.2
61.02921	1.2
64.56959	0.2
67.05474	0.3
69.03432	2.3
70.71407	0.9
71.04961	0.3
73.02891	0.4
74.77582	0.4
79.05465	0.3
81.03426	1.2
81.07034	0.3
85.02897	8.4
87.04483	0.3
91.03898	0.5
93.06994	0.5
93.12429	0.3
95.04936	0.4
95.08616	0.3
97.02874	2.2
99.04389	0.4
105.07019	0.3
105.94374	0.2
107.08600	0.4
109.02845	0.9
121.83913	0.2
127.03903	1.9
133.10191	0.2
135.11757	0.3
145.04919	1.9
161.09512	0.3
163.11127	0.3
194.57068	0.3
217.04927	2.3
245.04428	16.2
261.03900	1.1
273.03906	100.0
274.04251	1.0
285.03922	0.4
287.05383	2.3
293.08090	0.3
296.06735	0.6
311.09079	0.9
329.10159	96.1
330.10590	1.3
334.62219	0.3
341.10095	0.5
371.11041	0.3
388.13242	0.2
395.11707	0.3
441.23154	0.3
491.15393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1541
Annotation	5-Methoxyafrormosin 7-O-glucoside
Peak:m/z	Relative Intensity
55.05484	0.2
59.52928	0.2
67.05484	0.3
70.88516	0.5
73.53613	0.2
81.07003	0.3
91.05463	0.3
93.07052	0.2
95.04967	0.2
105.06985	0.2
107.04885	0.2
109.10136	0.2
114.81704	0.2
184.38759	0.2
217.04939	2.6
231.02861	0.4
245.04430	14.3
261.03909	0.3
273.03891	100.0
274.04224	1.2
282.05127	0.3
283.09579	0.3
287.05460	2.8
296.06808	0.7
311.09134	0.8
329.10141	82.9
330.10410	1.4
419.66846	0.2
491.15378	2.4
491.26089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1542
Annotation	Luteolin 7,3',4'-trimethyl ether 5-glucoside
Peak:m/z	Relative Intensity
53.03922	0.2
54.76406	0.2
55.01852	0.6
55.05499	2.1
57.03418	0.6
57.07066	0.6
63.33480	0.2
65.63690	0.2
67.05502	2.8
67.42973	0.2
68.99781	0.4
69.03399	0.8
69.07072	1.2
69.83923	0.4
69.84332	1.4
71.04982	0.6
73.02882	0.3
79.05479	2.7
81.03387	0.8
81.07038	2.9
83.04953	0.7
83.08605	0.9
85.02879	1.2
85.06519	0.4
91.05464	2.2
93.07020	2.0
95.04946	1.2
95.08594	2.1
97.02898	0.5
97.06482	0.3
97.10146	1.5
99.04417	0.4
105.07005	1.5
107.04917	1.4
107.08558	1.5
109.06515	1.3
109.10140	1.4
111.08058	0.3
115.05414	0.3
117.07007	0.8
119.04890	0.3
119.08550	1.1
120.56844	0.2
121.06481	1.0
121.10098	1.0
123.04411	0.4
123.08012	0.5
123.11674	0.6
125.09588	1.1
127.03869	0.4
128.06197	0.3
129.06956	0.5
131.04836	0.3
131.08536	1.1
133.06445	0.5
133.10114	1.0
135.04449	0.4
135.08028	0.6
135.11632	0.5
137.05975	0.5
137.09590	0.8
141.06949	0.3
142.14159	0.2
143.08563	0.4
145.06438	0.7
145.10094	0.7
147.08025	0.4
147.11665	0.7
149.09619	0.5
151.11140	0.3
153.01830	0.6
153.09055	0.3
155.04846	0.3
159.08022	0.5
161.05989	0.3
161.09575	0.6
163.03868	0.3
163.07466	0.3
163.11104	0.4
165.09102	3.9
165.25792	0.2
166.09340	0.3
167.07018	0.7
167.10628	0.4
168.44128	0.3
171.08002	0.8
173.09613	1.0
173.13264	0.4
175.07533	0.3
175.11234	0.4
181.04980	0.5
185.05960	0.6
185.09581	0.3
189.09134	0.5
189.11159	0.8
191.07043	0.6
191.14204	0.5
193.08484	0.3
193.12201	0.4
198.59081	0.2
201.05476	0.3
202.27461	0.3
205.12178	0.3
209.11670	0.4
212.04530	0.3
213.05377	0.7
215.07156	0.4
219.13823	1.3
223.13258	0.3
225.09018	0.3
229.04912	0.7
231.02939	0.3
240.04269	1.2
241.04938	3.6
243.02711	0.3
244.03636	0.4
245.04480	0.8
249.03838	0.7
250.06212	0.8
253.04947	5.3
255.06517	0.6
257.04395	8.6
258.04752	0.3
265.08646	0.5
267.06393	0.5
268.07388	0.6
269.04413	17.1
270.04861	0.4
273.03912	7.7
273.14697	0.3
276.07639	0.3
278.05673	0.5
281.04428	1.9
281.07733	0.4
282.05270	1.0
282.08026	0.3
283.05933	2.8
283.09402	1.0
286.04437	0.3
287.04434	0.7
293.08032	17.7
294.08505	0.5
295.05981	7.2
296.06750	10.3
309.07541	1.8
310.07700	0.6
311.09079	100.0
312.09366	1.6
327.08749	1.5
328.08908	1.5
329.10065	16.7
339.23465	0.3
353.17386	0.5
367.22537	1.0
371.18420	0.3
385.23520	0.9
399.21454	0.4
400.14273	0.2
437.23181	0.5
441.26166	0.4
445.25879	0.3
455.24057	1.0
459.27365	2.3
473.14453	1.0
473.24902	1.3
491.15128	1.0
491.26288	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	491.1542
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
57.03401	0.2
62.27483	0.2
62.56734	0.2
65.03940	0.2
67.05498	1.0
69.03423	1.0
71.37234	0.3
81.03384	0.4
85.02894	1.7
97.02886	0.8
108.18662	0.1
109.02809	0.2
111.04366	0.2
127.03890	0.6
129.05527	0.2
137.02332	0.6
145.04921	0.5
165.09091	0.2
171.04301	0.2
184.16835	0.2
189.05533	0.3
191.06888	0.2
201.05493	0.2
203.03387	0.5
213.05490	0.6
225.05588	0.2
227.06676	0.2
228.04129	0.3
229.04932	1.3
231.02864	0.2
241.04916	8.2
245.04446	1.1
247.02319	0.9
250.06113	0.8
253.04961	0.8
255.03165	0.2
255.03642	0.2
255.06474	1.8
257.04416	25.2
258.04703	0.3
265.08609	1.4
268.03641	0.5
269.04416	9.7
269.07996	2.1
271.05942	0.8
275.07001	0.3
278.05701	2.8
281.04437	2.0
282.05203	4.1
283.05939	2.7
283.09586	0.9
293.08041	5.6
295.06064	0.8
295.08896	0.2
296.06766	3.7
311.09088	100.0
312.09436	1.3
329.10107	2.2
337.77588	0.2
455.84653	0.2
473.14471	0.8
491.15549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70360	0.7
53.03944	1.2
53.08405	0.6
53.82818	0.6
54.52825	0.7
55.01869	1.0
55.05503	1.6
57.03429	9.9
57.80890	0.7
59.04988	0.8
60.04494	0.6
61.02912	1.8
62.04451	0.6
69.03429	1.7
69.98985	0.7
71.04983	75.0
71.79459	0.9
71.79881	0.7
73.02899	2.7
75.04462	4.9
79.05492	1.2
81.03402	1.6
83.04972	7.2
85.02894	100.0
85.06537	2.9
87.04456	3.0
88.72352	0.7
91.05486	2.3
95.14512	0.8
97.02882	4.0
99.04470	2.3
101.06055	1.0
103.03939	1.1
105.01841	0.6
105.07018	4.5
107.04910	0.9
109.02876	1.0
111.04425	3.6
117.05491	0.9
123.04421	1.3
127.03889	4.0
128.07097	0.6
129.05463	41.6
133.06483	5.6
137.05965	17.1
139.11421	0.6
145.04959	2.7
145.06458	1.0
146.08107	1.4
147.06497	20.1
147.07660	1.2
149.02299	3.8
159.08080	0.9
162.07611	1.2
163.07437	0.8
164.09172	5.3
165.09090	12.3
167.07057	2.7
174.06581	0.8
177.09129	1.6
179.42438	0.6
180.08777	1.4
181.04953	2.5
189.09033	6.3
190.06197	0.8
191.07132	0.8
191.10631	1.8
201.09041	0.9
203.10788	0.8
207.10170	1.9
214.36021	0.7
215.10680	1.1
219.10178	2.1
221.08086	1.4
225.07532	0.7
225.57350	0.6
233.08060	5.3
234.08438	3.6
235.09290	0.9
243.96947	0.7
255.08713	1.1
257.04395	5.4
257.11862	1.0
286.08075	1.2
293.13705	1.0
299.05499	0.8
310.11954	0.8
311.09134	7.6
327.08759	1.1
328.08942	3.1
329.10062	3.6
390.19983	0.8
454.23468	0.8
458.30447	0.9
472.05945	0.8
472.24191	0.8
490.24887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01852	0.8
55.05504	1.3
57.03429	9.8
59.04986	0.9
60.04518	0.3
61.02916	0.8
69.03426	1.6
71.01299	0.5
71.01585	0.6
71.04982	73.9
73.02910	2.1
75.04472	3.5
79.80726	0.3
81.03437	0.6
83.04973	6.7
85.02894	100.0
85.31282	0.3
86.79341	0.3
87.04461	1.9
97.02877	3.8
99.04433	1.8
103.03928	1.3
105.07006	1.9
109.02866	1.1
110.06030	0.7
111.04437	4.0
124.05183	2.5
127.02998	0.4
127.03901	3.4
129.05461	46.6
133.06479	1.0
137.05936	2.6
144.06538	0.6
145.04945	2.8
146.08095	1.1
147.06503	21.0
149.02332	0.7
155.01556	0.7
162.07587	0.5
163.06015	0.5
164.09184	6.2
165.07683	0.7
165.09090	8.0
167.06992	0.6
180.08653	1.1
181.04930	0.5
183.01091	0.5
185.02588	0.5
189.09167	0.8
191.07010	0.3
207.10275	0.3
231.10120	0.4
237.07516	0.7
239.07286	0.7
255.08673	1.6
272.05884	0.5
273.09348	0.4
275.12558	0.4
293.13727	0.5
309.11993	0.5
326.14432	0.5
329.10248	0.4
491.18851	0.4
511.71133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
56.05031	3.8
56.96568	1.2
57.03420	1.2
57.76466	0.3
60.04516	0.4
61.02924	0.9
66.93890	0.4
67.05514	0.4
68.48386	0.4
69.03418	3.0
69.17403	0.4
70.06577	0.8
71.05009	0.4
71.24981	1.1
72.08140	0.4
73.02901	1.5
79.05476	0.6
81.03410	1.0
84.04494	79.2
84.08123	1.0
85.02892	8.3
85.04827	0.8
87.04436	0.7
88.03980	1.2
89.03905	1.8
97.02888	2.7
98.97551	2.4
99.04447	0.5
102.05529	29.2
104.07087	0.7
104.10728	0.7
106.05016	0.7
107.04922	0.5
109.02863	0.4
110.97562	0.6
115.03925	0.7
116.98611	1.6
117.02078	0.4
117.03400	1.8
119.01833	0.6
123.04374	0.5
124.25661	0.4
127.03890	3.2
128.04228	0.5
128.98598	0.7
130.04987	38.6
131.03409	0.7
131.05309	1.5
133.02805	0.5
134.03448	0.3
134.99615	1.1
135.04391	3.5
137.05859	0.4
138.52933	0.5
139.03864	0.8
143.00143	0.7
145.02834	1.6
145.04912	2.0
146.99622	1.1
147.07619	1.3
147.53316	0.4
148.06027	100.0
149.01178	0.9
149.06364	0.9
156.03598	2.6
156.53773	1.1
158.99620	1.6
161.01202	1.0
161.02872	0.6
163.03888	20.2
164.04187	1.9
167.02228	0.4
170.99596	0.6
172.95299	0.5
177.00703	1.3
182.03325	0.5
182.99506	0.4
186.44994	0.4
189.00717	1.0
191.03860	0.9
191.54039	0.4
200.04355	0.5
201.00725	1.5
213.00603	0.5
219.01683	1.8
220.02106	0.6
223.97636	0.6
227.02254	0.4
228.55847	0.6
235.97540	0.8
237.02798	1.1
237.06273	1.2
237.56396	1.0
238.06505	0.7
238.56413	1.1
243.01640	0.5
249.02649	0.7
252.97855	0.8
261.02863	0.8
272.06586	0.6
272.56583	0.7
273.06775	0.5
275.97052	2.2
279.03644	0.5
281.07022	1.6
281.57172	1.7
294.05478	0.5
318.59030	0.6
319.58875	0.7
328.02872	0.8
362.00815	1.0
362.59943	0.9
363.09933	0.5
426.02158	0.6
491.09738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01869	0.7
55.05487	0.5
57.03416	1.6
59.04992	30.7
61.02901	1.9
61.17138	0.4
62.00660	1.5
65.03929	0.8
67.05481	0.9
68.86908	0.4
69.03417	4.4
69.07044	1.0
70.32764	2.3
71.04967	0.5
73.02896	1.1
74.00648	0.6
81.03416	2.8
83.04953	0.5
84.25653	0.5
85.02892	13.6
87.04443	0.7
88.03967	6.4
89.57810	0.5
91.03973	0.9
91.05441	1.0
94.99546	2.5
95.04949	1.5
97.02888	4.2
99.02664	0.6
99.04456	0.7
103.03925	0.5
109.02854	2.1
117.07009	0.9
118.76354	0.4
119.04948	0.9
120.01179	0.9
122.02725	0.9
123.04397	3.8
127.02138	2.4
127.03895	2.9
128.06216	0.8
129.06998	1.1
137.05963	2.8
139.03853	1.2
145.04904	1.9
145.06485	1.7
146.07227	1.1
147.08015	0.5
149.05974	1.1
150.03047	1.0
151.03877	4.6
153.05486	0.6
155.01588	64.5
156.01945	0.9
157.03181	0.6
157.06448	0.8
159.08055	1.4
161.04184	4.1
161.05952	0.6
161.09612	1.0
163.02148	0.7
163.03865	1.9
164.04659	1.5
165.00043	0.8
165.05444	2.5
167.07072	0.8
169.03162	1.0
171.01048	3.6
173.02646	0.7
173.05922	2.3
174.06731	6.8
175.07518	2.1
177.05452	0.9
178.09822	0.7
179.01651	2.4
179.05173	0.9
181.03160	2.0
182.00267	0.7
183.01088	27.1
185.02655	22.7
187.07567	1.6
188.08257	2.5
189.03693	3.3
189.09061	0.7
191.07016	4.8
193.03291	0.5
193.08615	1.4
195.01016	0.8
197.02654	1.1
205.08551	2.8
206.09348	10.2
207.04720	28.2
207.10095	5.3
208.11055	0.5
209.02696	3.0
211.04134	0.6
221.06273	3.9
226.05272	0.7
237.05470	0.6
239.07329	100.0
240.07701	1.9
247.46629	0.5
251.07291	0.8
254.04845	1.1
255.03203	2.8
258.24121	0.5
260.05902	0.5
265.08832	0.8
272.05838	51.3
273.06314	0.6
311.09314	4.7
314.07071	0.5
328.12085	31.9
370.13055	1.5
451.97858	0.5
454.15338	1.0
465.94342	0.5
472.16220	0.9
490.17395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79181	0.2
53.03948	0.4
55.05511	0.5
57.03437	0.6
59.05002	3.1
61.02933	0.3
63.79062	0.2
67.05511	0.5
68.99808	0.7
69.03423	1.2
71.05009	0.4
73.02939	0.4
79.05495	0.5
81.03416	0.7
81.07059	0.7
83.04999	0.9
85.02897	3.6
85.03336	0.3
85.06520	0.3
91.05477	0.5
93.07053	0.7
94.58492	0.3
95.08573	0.6
96.17574	0.3
97.02889	1.7
98.03249	0.2
98.21458	0.7
99.04464	1.2
103.03914	1.5
104.04354	0.2
105.07027	0.6
107.04972	0.2
107.08582	0.3
109.02878	1.0
109.06511	0.5
109.10186	0.4
111.61494	0.3
115.03924	0.3
119.08574	0.5
121.10165	0.4
123.04443	0.3
125.06017	0.3
127.03910	2.4
128.04269	0.8
129.06961	0.3
135.07938	0.3
137.09630	0.5
145.04950	1.8
146.05289	0.8
151.07549	0.3
153.01904	0.3
153.47214	0.2
159.11517	0.3
163.05989	0.6
163.11188	0.4
165.09149	1.2
167.07039	1.5
173.06053	0.5
173.09627	0.7
181.04955	0.9
183.70601	0.2
187.03917	0.4
191.07002	0.5
201.05505	0.4
211.07520	0.4
225.05515	0.3
227.03497	0.3
229.04950	0.6
231.02794	0.3
233.08110	0.9
235.07565	0.7
235.09673	0.3
239.03285	0.5
239.06964	0.3
241.04985	0.6
245.04358	0.6
247.35068	0.3
253.08488	0.9
255.06477	0.3
256.03705	0.5
257.04419	3.8
262.81213	0.3
263.07016	0.6
264.07727	0.3
264.16721	0.3
266.05710	2.3
267.06461	0.3
269.04428	10.6
270.04947	0.5
271.02338	19.3
272.02643	0.4
273.03955	2.3
281.08047	9.8
282.08466	0.4
285.03909	10.6
285.07480	2.4
294.05258	1.9
297.03787	1.6
299.05435	0.8
299.09003	0.4
309.07538	17.2
310.07962	0.5
311.05411	1.1
312.06348	1.8
327.08588	100.0
328.08957	2.6
337.09979	0.3
435.21576	0.5
453.22604	0.4
471.23727	1.3
477.70947	0.3
489.13730	9.1
489.24554	2.3
489.32315	0.5
490.14130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
53.92805	0.2
55.05510	0.2
57.03428	0.3
61.02890	0.2
67.05479	0.5
68.99787	0.5
69.03428	1.3
69.49422	0.5
69.49842	1.8
70.06573	0.3
71.04948	0.2
72.40889	0.2
73.02910	0.3
79.05475	0.3
81.03385	0.4
81.06993	0.3
83.04917	0.2
85.02895	2.3
87.04446	0.3
91.05446	0.3
93.07018	0.4
95.04948	0.2
95.08548	0.4
97.02850	0.6
105.07013	0.4
107.08589	0.3
107.95024	0.2
109.02856	0.4
109.06499	0.5
121.10070	0.3
124.99413	0.2
127.03883	0.5
128.06284	0.2
129.07004	0.4
133.10207	0.2
137.06000	0.2
139.41034	0.2
142.52582	0.2
145.04901	0.4
145.06339	0.2
149.09657	0.2
153.01817	0.6
155.08469	0.3
165.09079	0.3
165.20322	0.3
167.06960	0.5
179.08574	0.2
181.04955	0.4
183.08011	0.4
185.09663	0.3
197.06033	0.3
201.05350	0.7
211.07455	0.4
217.04930	0.3
223.02260	0.4
228.03986	0.3
229.04895	1.2
231.02954	0.3
233.07970	0.3
235.07535	1.1
238.06229	0.3
238.17914	0.4
239.03249	0.3
241.04808	0.5
245.04437	1.0
250.98654	0.2
253.08580	0.9
256.03604	0.6
257.04431	3.4
257.07172	0.3
257.08197	0.2
260.03171	0.2
263.07068	1.3
266.05753	2.9
267.06226	0.4
269.04416	5.8
271.02396	0.5
273.03925	2.9
280.07471	0.3
281.08041	16.4
282.08502	0.3
285.03912	14.2
285.07306	0.9
291.06531	0.3
294.05130	3.0
297.03873	2.4
298.04645	0.6
299.05487	1.1
299.09030	0.8
309.07526	24.9
310.07907	0.4
311.05426	1.8
312.06226	2.8
327.08575	100.0
328.08957	2.1
435.21915	0.3
471.23749	0.5
489.13779	16.9
489.23730	1.2
490.14148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.10258	0.2
57.07050	0.2
63.28064	0.2
67.05491	0.5
68.99789	0.2
69.03407	0.2
69.07059	0.4
70.38921	0.6
79.05463	0.4
81.03407	0.2
81.07053	1.0
83.08610	0.2
85.02882	0.4
91.05470	0.2
93.07021	0.4
95.04952	0.2
95.08594	0.9
105.07019	0.4
105.34975	0.2
107.04918	0.4
107.08566	0.7
109.10127	0.5
109.96252	0.2
121.10082	0.3
123.04472	0.2
123.11681	0.8
129.06995	0.4
133.10097	0.3
135.11668	0.2
137.13144	0.2
145.06464	0.2
145.10033	0.2
147.11687	0.2
149.13235	0.2
153.01836	0.2
157.06569	0.2
163.14775	0.2
165.09137	0.3
167.06999	0.4
173.09572	0.3
174.06537	0.2
181.05002	0.4
183.07936	0.3
185.09642	0.2
191.07005	0.3
197.09529	0.2
211.07555	0.2
217.04962	0.2
223.02365	0.2
229.04967	0.6
235.07430	0.7
245.04359	0.7
253.08621	0.8
256.03574	0.3
257.04388	2.2
260.03162	0.2
263.06973	0.8
266.05670	2.1
267.06525	0.2
269.04422	3.6
271.02502	0.2
271.06104	0.5
273.03888	2.3
273.25729	0.2
281.08051	11.2
282.08258	0.3
285.03922	11.5
285.07294	0.7
286.04330	0.4
291.06622	0.4
291.26779	0.2
294.05154	1.9
297.03867	1.4
298.04846	0.4
299.05460	0.8
299.08902	0.4
309.07526	19.3
310.07886	0.4
311.05484	1.2
312.06207	2.0
327.08572	100.0
328.08920	2.0
378.52649	0.2
398.74268	0.2
400.87570	0.2
489.13504	2.7
508.13315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1385
Annotation	venturamide A
Peak:m/z	Relative Intensity
64.46448	0.1
67.05534	0.3
68.44267	0.1
68.99835	0.3
70.18761	0.6
81.07076	0.3
83.05028	0.2
85.02969	0.2
91.05534	0.2
93.07090	0.2
95.17681	0.1
98.20717	0.1
109.10180	0.2
119.08553	0.1
123.04522	0.1
127.03960	0.2
129.06996	0.3
143.08522	0.1
145.06471	0.2
147.80669	0.1
153.01797	0.3
155.08591	0.2
157.10078	0.1
167.07101	0.4
173.05978	0.2
181.04974	0.2
183.08061	0.4
184.54451	0.1
185.09740	0.1
187.07643	0.1
191.07130	0.2
201.05447	0.2
203.96130	0.1
207.08350	0.2
211.07603	0.4
215.03333	0.1
217.05064	0.2
221.06281	0.1
223.02438	0.3
228.67250	0.1
229.04956	0.8
235.07501	1.0
238.06348	0.3
239.03343	0.2
241.04939	0.2
243.02719	0.1
245.04539	0.4
253.05255	0.1
253.08427	0.7
256.03751	0.4
257.04413	2.2
259.02322	0.1
260.03134	0.3
263.06937	0.9
264.07822	0.2
265.04892	0.2
266.05695	2.3
267.06403	0.2
269.04391	4.6
270.05157	0.2
271.02332	0.2
271.06009	0.3
271.09607	0.2
273.03915	2.3
280.07172	0.3
281.08044	12.6
283.06039	0.2
285.03903	12.2
285.07278	0.7
286.04416	0.4
291.06479	0.4
294.05161	2.4
295.06046	0.2
297.03857	1.8
298.04663	0.5
299.05490	0.6
299.09119	0.3
309.07535	19.3
310.07800	0.3
311.05389	1.4
312.06247	2.2
327.08569	100.0
328.08893	1.7
489.17325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.93970	1.0
57.22437	0.8
59.04988	4.3
61.02917	1.4
69.03418	8.4
69.69009	9.7
71.04977	3.3
73.02909	2.8
81.03412	9.4
85.02382	2.2
85.02892	34.1
97.02881	22.9
99.04453	23.0
103.03930	39.4
109.02865	10.9
127.03904	56.3
145.03831	2.2
145.04947	38.9
149.40068	0.9
155.04909	0.9
159.11708	1.9
159.52281	0.9
163.03751	1.0
163.06010	16.6
187.06020	2.1
229.04947	1.0
231.10301	1.1
235.07677	1.3
257.04416	2.7
266.05737	2.3
269.04510	9.6
271.02402	6.9
271.08051	6.4
273.03876	1.7
281.08069	7.2
285.03949	10.6
285.07117	1.4
289.09094	4.5
291.06500	1.1
294.05118	3.0
307.10159	2.1
309.07568	17.2
327.08594	100.0
335.09067	2.0
336.09479	3.1
430.20761	1.1
488.14325	2.8
488.32764	1.7
489.13708	12.1
497.40836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11915	0.6
58.99885	0.7
62.18224	0.7
67.05450	1.3
68.44604	0.8
69.07023	1.4
69.48236	8.1
81.06977	0.8
91.05408	1.3
98.21394	1.7
105.06960	1.6
107.08497	0.9
109.10091	1.5
121.10036	1.5
133.10045	1.2
135.11594	0.9
145.10045	1.0
147.11542	0.8
195.02821	1.5
205.03333	0.8
205.04945	8.0
213.88411	0.7
216.28062	0.8
260.24496	0.7
261.11221	1.4
266.05435	12.5
267.05634	0.8
267.08548	0.7
277.04630	3.6
279.06305	3.8
279.12216	1.3
291.06277	6.4
327.15756	1.0
333.07288	24.2
334.07407	0.8
345.16672	3.8
401.17441	1.4
403.14941	2.7
417.16672	96.7
418.17462	98.0
419.18158	20.8
487.24512	100.0
488.24643	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	488.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01867	0.8
57.03431	1.8
59.04996	0.7
61.02915	2.6
69.03421	11.6
71.04977	5.5
71.07637	1.1
73.02907	4.6
74.04522	0.4
81.03409	15.0
83.01308	0.5
83.04973	1.2
85.02895	61.1
87.04461	1.4
89.01024	0.4
90.28986	0.4
91.03958	1.0
91.57471	0.4
95.04977	0.5
97.02882	39.7
99.04444	41.4
103.03931	65.3
108.04492	0.8
109.02866	21.1
111.04442	0.5
115.03923	1.8
127.03901	100.0
128.04250	1.2
129.04382	0.4
137.05975	0.8
145.04942	63.0
146.05278	0.6
149.97542	0.4
163.06001	34.7
168.01913	0.4
169.04915	2.4
172.11171	0.4
175.07486	0.6
186.07701	0.5
187.06006	4.5
189.09103	0.8
199.05927	0.7
205.06989	1.2
217.07042	0.7
223.09573	0.8
227.10612	0.5
231.10117	1.4
247.08105	0.9
253.07008	2.1
255.10127	1.0
257.04385	0.6
269.04431	0.8
271.08090	12.4
272.08484	0.6
273.03867	0.6
273.11127	1.5
281.08084	3.0
285.03824	2.0
289.09122	7.1
290.72061	0.4
297.03656	0.7
307.10196	3.0
309.07605	3.3
327.08588	14.4
488.21536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03178	1.6
87.04426	3.0
91.83829	1.6
98.21470	3.9
104.07829	1.5
145.25002	1.6
149.05699	1.5
161.23926	1.7
175.63370	1.7
178.71524	1.6
229.87666	1.8
266.05399	9.8
277.04727	6.7
278.05490	3.5
279.06238	94.0
280.06995	20.1
307.07919	2.1
317.07809	22.5
319.74475	1.8
335.12369	3.2
344.19547	2.3
345.19870	2.9
347.12488	91.6
357.10947	10.1
385.14175	3.6
388.15140	5.9
399.15811	3.2
400.16385	56.2
401.17169	11.3
417.16867	2.5
418.17441	22.9
419.18268	28.8
451.22644	2.8
469.23453	74.2
470.23886	2.2
487.24503	100.0
487.35892	7.2
488.24640	3.5
494.15250	1.8
514.45551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1442
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
55.01867	0.6
57.03423	1.0
59.04987	0.1
61.02898	0.3
62.99588	0.1
63.23708	0.1
68.38181	0.1
68.99780	0.2
69.03426	0.9
71.01328	0.1
71.80524	0.2
73.02908	0.9
81.03406	0.2
85.02889	1.4
91.01842	0.1
91.05452	0.2
95.04940	0.1
97.02869	0.4
97.06466	0.1
103.03932	0.2
109.02872	0.2
115.03911	0.5
119.04895	0.1
123.04408	0.2
125.05966	0.5
126.36993	0.1
131.04893	0.1
133.04906	0.8
137.05959	0.8
145.04948	0.3
147.04375	0.6
151.03857	0.3
151.07484	0.2
161.05795	0.1
163.07523	0.1
165.06792	0.1
169.04971	0.2
175.04015	0.1
179.07086	0.2
189.05249	0.1
193.04938	100.0
194.05257	1.3
205.04926	0.3
207.07794	0.1
231.06261	0.2
235.06044	0.2
259.05853	0.1
273.11224	0.1
281.13779	0.1
289.06918	0.2
325.09058	0.2
355.10168	7.6
356.10602	0.1
372.82822	0.1
487.21796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.71326	0.3
55.01863	0.7
57.03413	0.5
61.02914	0.8
68.05022	0.4
69.03426	2.6
69.89547	2.3
70.06580	0.5
73.02901	0.8
74.02451	0.5
81.03405	1.2
81.07043	0.5
83.04944	0.3
84.04484	0.4
85.02898	5.6
86.09685	1.1
89.03915	0.7
91.05486	0.4
93.03415	0.5
95.04971	0.4
97.02891	1.8
107.04930	0.6
109.02860	1.0
114.05519	1.8
119.04889	0.4
120.48427	0.3
121.02853	0.7
121.06559	0.4
124.81309	0.4
127.03906	1.5
132.10220	0.4
135.04390	1.2
143.08498	0.4
145.02798	0.7
145.04877	0.8
145.06479	0.7
147.04370	1.7
148.06015	0.8
149.05972	0.5
155.08551	0.3
159.08041	0.5
161.05978	0.5
163.03902	4.5
169.10097	1.3
171.08035	1.1
171.29012	0.4
173.05971	1.5
174.06602	0.4
175.03963	0.4
175.07512	1.5
177.05469	1.3
179.08563	1.0
181.10141	0.5
182.07130	0.4
183.07999	0.4
184.07294	1.4
184.44540	0.3
187.07497	1.8
189.09195	0.6
191.08237	0.4
193.08600	1.1
194.07358	0.4
195.06505	1.7
197.09587	3.4
199.07504	2.4
201.09099	1.4
205.08690	1.0
207.08102	0.5
209.09607	0.7
211.07651	0.8
215.10619	2.6
217.08588	6.8
225.09094	4.9
226.09431	0.3
227.10670	1.4
229.08521	1.6
233.11646	0.8
237.00703	0.5
243.10139	13.1
244.10536	0.4
253.08620	0.6
260.12802	19.9
261.11255	1.1
261.13535	0.4
268.58295	0.4
271.09650	0.9
289.10739	0.9
306.13324	100.0
307.13666	4.4
324.14410	14.8
325.14008	1.2
468.18619	12.6
469.18692	0.7
486.19708	9.4
487.18854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01867	0.6
55.05490	0.3
57.03432	0.6
59.56496	0.2
61.02909	0.9
67.05480	0.6
69.03417	2.3
69.07043	0.3
69.94541	1.1
69.94964	0.5
70.42753	0.3
73.02921	0.2
79.05512	0.3
81.03392	1.0
81.07047	0.4
83.04962	0.5
85.02891	5.7
95.04964	0.7
97.02871	3.2
97.06513	0.4
98.20763	0.4
99.04417	0.2
105.06991	0.4
108.60168	0.3
108.70776	0.3
109.02852	2.9
111.04429	8.8
112.05203	1.0
121.13756	0.2
123.04411	1.1
125.02316	3.7
125.05943	1.2
127.03861	0.8
136.72443	0.3
139.03880	18.7
140.04662	9.3
141.05418	1.7
145.04932	0.7
153.05452	4.3
155.07002	100.0
156.07326	1.4
161.37912	0.3
168.07800	5.9
169.04938	7.6
169.08691	0.3
171.79755	0.3
183.06503	13.1
184.07281	6.9
206.05431	0.3
207.06184	0.4
210.09416	0.2
215.06996	0.8
217.04982	0.3
219.85884	0.2
223.14828	0.3
228.04201	0.5
229.04941	0.7
235.09657	0.8
236.10005	1.4
237.10196	0.7
238.10313	0.6
243.06445	1.4
244.07253	1.9
245.04578	0.4
247.09627	0.4
260.06732	0.6
275.09100	8.6
307.11716	32.3
308.11911	1.3
317.08362	0.9
318.08835	0.8
486.20282	6.3
487.13678	0.5
487.19653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.4
55.05513	2.6
56.19236	1.2
57.00618	1.1
57.07055	2.2
65.59735	1.1
67.05486	4.3
69.07067	20.5
71.04984	2.3
71.17902	1.1
71.81859	1.6
79.05468	2.8
81.07076	5.8
84.54392	1.3
91.05476	5.4
93.07037	11.0
95.08589	10.1
105.06990	3.2
107.08599	9.2
109.10160	9.6
115.79990	1.1
117.06982	2.3
119.08561	4.6
121.06481	4.7
121.10117	3.3
123.11689	12.0
129.06999	2.0
133.06490	2.3
133.10126	2.8
135.04411	3.6
135.08043	4.9
135.11681	11.4
139.03868	2.6
147.08038	4.5
149.05943	2.0
151.03886	23.0
153.12724	6.5
157.06413	1.7
161.05959	7.4
161.09607	2.1
163.03896	10.4
163.07541	3.7
165.05487	2.2
169.05229	1.2
173.09695	1.6
175.07527	14.5
177.05475	9.1
179.07101	2.1
181.04980	7.3
189.05415	1.4
189.09036	2.9
191.07008	11.1
201.05396	2.3
201.09059	1.7
203.07008	41.7
205.08595	3.6
207.10185	9.7
209.08061	6.3
215.07031	2.6
217.08578	17.1
219.10114	24.8
221.08095	17.5
227.10596	3.0
229.08606	10.1
231.10117	2.4
233.11665	2.1
235.09668	8.4
239.10718	1.6
241.08589	5.8
241.12106	1.5
243.10056	2.9
245.11789	1.7
255.13712	2.3
257.11908	2.1
259.09546	2.1
267.13852	2.8
269.11694	5.1
273.14804	5.6
275.12674	1.6
275.16446	4.9
277.14282	13.9
283.13324	4.3
285.14816	18.2
287.12714	4.9
291.15897	8.4
303.15933	4.9
325.17877	19.3
331.18832	2.4
341.21127	32.2
343.19003	89.3
344.19452	1.4
345.20648	3.8
352.41650	1.5
357.20679	1.4
359.17636	1.8
359.22131	40.8
361.20047	100.0
379.22455	1.2
397.23648	3.7
397.27951	1.8
399.25348	13.9
411.25522	2.1
415.24408	1.5
417.26361	7.7
429.26324	5.3
458.81000	1.7
485.32858	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
57.07062	4.9
67.05496	4.6
69.07061	11.3
70.83684	4.3
70.84054	3.7
79.05476	3.7
81.07039	7.9
88.98869	1.9
93.07034	5.5
99.23680	1.9
107.04967	2.5
107.08586	6.4
109.10171	2.6
119.08613	3.0
119.35374	1.9
121.06491	5.8
121.10134	2.6
123.11691	27.2
129.07034	2.1
133.06480	2.7
135.04402	9.2
135.08044	10.4
135.11714	8.5
147.08026	6.4
151.03886	8.6
157.06468	4.0
160.14555	1.9
161.05943	13.9
163.03896	38.4
163.05170	3.7
163.07539	2.7
175.07521	18.8
177.05464	5.0
181.04907	21.4
185.05997	3.6
191.07047	5.9
203.07014	100.0
207.10289	2.7
209.08017	5.7
217.08569	2.6
219.10144	99.7
220.10535	2.6
221.08066	75.3
229.08617	2.5
259.13348	9.4
267.13815	4.8
273.14841	4.5
275.13336	3.6
275.16397	24.0
277.14322	59.0
285.14828	20.7
289.14163	2.6
307.16800	3.0
325.17883	5.2
341.16998	3.4
341.21051	49.0
343.18985	96.5
345.20541	14.3
359.22089	8.9
361.20041	15.9
397.22800	2.3
397.27646	3.5
399.25296	6.7
411.25311	8.9
417.26379	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	485.3255
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
57.07068	1.7
58.55745	1.7
67.05497	2.7
67.99404	1.7
69.07054	10.9
70.02674	3.4
70.03101	8.7
79.05494	2.6
81.07042	6.5
91.05487	2.7
93.07035	9.6
95.08594	6.0
105.07024	2.9
107.08615	10.1
109.10133	4.3
121.06504	6.8
121.10137	2.1
123.11687	26.2
128.48080	1.9
129.06990	2.5
133.06502	3.0
135.04405	3.7
135.08000	10.5
135.11678	17.0
147.08020	8.1
149.06021	2.4
151.03886	6.5
157.06419	3.7
161.05963	15.2
161.20779	1.5
163.03897	16.7
163.07617	1.7
175.07558	18.7
177.05409	2.6
181.04921	8.1
191.07051	6.1
203.07001	88.0
205.08559	2.2
207.10213	4.3
209.08109	5.4
217.08656	2.5
219.10135	42.3
221.08060	70.2
231.88676	1.9
256.63852	1.8
259.13269	6.1
265.14392	2.7
267.13947	3.7
275.12863	3.0
277.14328	63.2
277.17233	3.3
278.14291	1.5
283.87802	1.6
285.14844	14.9
325.17935	5.6
341.21094	56.5
342.21344	2.1
343.19006	100.0
344.19345	2.3
345.20551	4.3
359.22379	2.3
397.23666	3.3
399.25281	10.3
411.25232	16.2
496.42459	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.326
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
51.35892	0.6
55.05498	1.2
57.07067	0.7
60.05626	0.8
60.08153	0.5
64.99327	0.5
67.05487	2.1
69.07060	10.5
71.04974	0.7
71.26684	1.0
71.27024	0.7
74.00172	0.5
79.05484	0.9
81.07057	3.4
83.08597	0.8
91.05460	1.6
91.63494	0.6
93.07037	4.6
95.04945	0.8
95.08601	2.0
105.06999	1.7
107.04958	0.9
107.08580	2.8
109.02855	0.7
109.06499	0.7
109.10152	5.2
119.08578	1.2
121.06470	4.3
121.10152	1.2
123.08031	0.6
123.11702	4.4
129.07028	0.9
131.08566	1.3
133.06483	0.7
133.10120	1.2
135.04410	1.1
135.08029	2.5
135.11690	3.7
143.08563	0.8
145.10118	0.8
147.08047	2.4
149.04875	0.7
149.06013	2.0
149.09637	1.1
151.03856	2.0
155.08617	0.7
157.06491	0.8
159.08035	0.9
161.05949	2.7
161.09592	1.5
163.03873	2.5
163.07518	2.0
165.05469	1.5
165.06908	0.7
171.07980	1.0
173.09581	0.8
175.04016	0.7
175.07538	9.0
177.05453	10.8
181.04909	1.7
187.07542	1.4
187.11249	0.6
189.09157	2.0
191.06985	6.4
199.07552	1.5
201.05482	1.4
203.07008	18.0
204.07280	0.6
205.08565	2.5
207.10239	0.9
209.08084	2.3
213.09059	0.7
215.06982	1.5
215.10641	0.9
217.08583	18.6
219.06500	0.9
219.10170	3.5
221.08057	7.6
223.11363	0.8
226.09906	1.0
227.07082	0.6
227.10667	4.1
229.08595	13.7
231.10135	1.2
233.08244	0.7
233.11745	1.7
235.09619	7.6
239.10689	1.1
241.08568	5.6
241.12262	0.9
243.10182	3.2
245.11653	1.0
255.10112	1.1
257.11624	1.6
259.09616	2.1
261.11215	2.0
267.13834	1.6
269.11679	8.4
271.13043	0.9
273.11548	0.7
273.14807	2.2
275.12857	1.0
277.14438	1.0
282.12479	0.8
283.13324	4.2
285.14838	23.5
287.12823	6.2
289.14389	1.1
291.15952	1.4
301.14377	0.9
303.15808	1.7
307.16953	0.7
325.17960	21.7
331.19116	0.8
339.15698	0.6
339.19305	0.9
341.21091	30.4
342.21213	0.9
342.58310	0.6
343.19009	100.0
344.19354	2.1
359.18106	1.0
359.22150	9.5
361.20078	36.7
367.11337	0.6
379.22568	0.7
397.23575	3.1
399.25323	8.6
411.25143	5.7
415.24673	1.1
416.21124	0.8
417.26459	5.1
429.26199	1.3
467.31436	2.5
467.37421	0.7
485.28247	4.3
499.77350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	8.3
69.71242	2.2
69.71651	4.4
75.07256	0.7
79.05459	0.9
80.15529	0.7
81.07029	1.9
91.05479	1.0
93.07039	3.8
95.08577	1.3
98.20696	1.4
105.06998	1.3
107.08573	1.2
109.10155	3.2
121.06492	2.3
123.11684	5.7
125.66509	0.9
135.08041	2.7
135.11699	2.2
147.08047	2.6
147.11664	1.0
149.06044	0.9
151.03885	2.7
159.08069	1.1
161.05939	4.3
161.09486	0.8
163.03844	4.7
175.07536	7.8
177.05460	4.9
181.04939	2.2
189.09065	1.1
191.07027	6.3
203.07007	18.0
205.08641	1.9
209.08037	2.2
215.07040	1.3
217.08548	10.5
219.10068	7.9
221.08017	7.6
227.10553	1.9
229.08559	8.1
235.09604	3.7
241.08548	4.0
243.10178	2.2
257.11688	1.4
269.11728	3.5
273.14862	1.8
275.16565	2.1
277.14429	4.8
283.13339	1.8
284.83554	0.9
285.11966	1.5
285.14816	12.4
287.12659	2.4
325.17935	13.1
331.18881	3.1
341.21103	23.2
343.18991	100.0
344.19379	2.2
361.19943	1.4
397.23672	3.0
399.25229	6.6
411.25159	7.1
442.18893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	1.4
61.27456	1.1
67.05475	2.4
67.63524	1.2
69.07063	14.8
69.77016	8.7
71.51208	1.2
72.81429	1.1
81.07036	2.7
83.75428	1.0
84.73248	1.1
91.05428	2.0
93.07038	6.1
107.08579	2.7
109.10143	4.1
109.63454	1.3
121.06506	3.3
121.10149	2.0
123.11667	2.8
133.10207	1.3
135.04387	1.3
135.08023	3.2
135.11650	3.7
143.08490	1.5
147.08000	3.3
151.03900	2.7
161.05942	3.6
163.03897	3.2
163.07524	1.5
165.05437	2.2
175.07475	6.9
177.05446	12.7
187.03973	1.5
189.09081	2.8
191.07013	5.1
199.07471	1.8
201.05458	2.5
203.06996	16.7
205.08511	2.0
209.07974	3.1
217.08594	18.0
218.08824	1.3
219.10129	3.9
220.88246	1.3
221.08066	8.5
227.10625	3.0
229.08548	12.5
231.10156	1.5
233.11783	2.6
235.09648	6.2
241.08575	6.4
243.10234	2.9
245.52425	1.5
259.09677	2.1
261.11447	1.4
267.13779	1.5
269.11792	5.8
273.14752	3.7
277.14301	1.3
281.11780	1.0
283.13266	4.2
285.14798	24.6
287.12769	6.5
291.15863	1.9
303.15930	2.0
307.17203	1.5
308.82996	1.2
325.17871	18.2
341.21100	36.4
343.18997	100.0
344.19351	1.8
359.22189	21.2
361.20047	39.6
397.23270	2.6
399.25269	19.8
411.25232	9.2
417.26120	5.4
429.26205	3.7
485.47781	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	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97332	0.6
55.01818	1.3
55.05474	1.7
57.07030	1.2
60.42165	0.7
67.05445	1.8
69.06990	20.1
69.07401	1.3
70.69562	2.6
73.97983	0.6
76.08762	0.7
76.60865	0.7
79.05443	1.5
81.07046	3.2
83.08529	1.3
91.05384	2.3
93.07043	8.6
95.04886	0.7
95.08517	2.1
96.03302	0.6
105.06940	2.4
105.61147	0.6
107.08590	3.3
109.10133	7.5
113.05876	0.9
117.06935	0.7
119.08495	0.9
119.28099	0.7
120.28722	0.6
121.06501	4.6
121.10049	1.6
123.11683	6.4
131.08435	1.2
133.06419	1.2
133.10078	1.6
135.04337	1.2
135.08038	3.4
135.10794	0.7
135.11650	5.8
143.08496	1.3
145.06316	0.9
147.07954	3.0
149.05916	2.6
149.09503	1.0
151.03874	6.5
155.08528	1.2
157.06406	1.2
159.04408	0.7
161.05937	4.6
161.09578	1.3
163.03909	3.4
163.07440	2.4
165.05501	3.6
170.04915	0.7
171.07983	0.8
173.09517	0.8
175.03813	0.9
175.07501	11.2
177.05437	14.8
181.04895	2.3
183.08014	1.3
185.09587	1.1
187.03825	1.1
189.05397	1.9
189.08989	2.5
191.07011	11.1
199.07472	2.2
201.05391	2.9
201.08902	1.0
203.06998	25.1
205.08626	4.2
207.10054	2.8
209.08055	6.2
215.06934	2.1
215.10709	1.3
217.08563	24.5
219.06543	1.3
219.10124	6.8
221.08052	10.8
226.09833	1.5
227.06886	1.1
227.10608	4.2
228.23152	0.8
229.06398	1.5
229.08569	20.9
229.12112	1.3
231.10057	1.9
233.11690	2.5
235.09590	9.3
239.10617	0.7
241.08562	8.5
241.12231	1.9
243.10143	4.6
245.11755	1.7
255.10173	1.2
255.13588	0.8
257.11642	2.3
259.09610	2.9
259.13290	0.9
261.11157	1.8
265.12100	0.8
267.13840	1.6
269.11649	10.5
271.13284	1.5
273.14841	7.0
275.12665	2.1
277.14285	2.7
282.12518	1.0
283.13293	6.5
285.14813	36.2
286.15451	0.8
287.12799	7.4
291.15765	1.9
311.29239	0.9
325.17932	26.0
331.19199	1.9
339.19568	1.2
341.16962	1.7
341.21088	36.1
343.18994	100.0
344.19437	1.2
349.20352	0.9
359.17557	1.0
359.22128	34.8
361.20047	88.6
362.20477	1.1
397.23639	4.1
399.25259	14.5
411.25201	8.3
417.26321	14.2
417.31335	1.2
429.26364	8.4
467.31583	1.5
485.32593	4.6
485.47263	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	485.3256
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
55.05499	2.0
67.05495	1.7
69.07062	9.2
69.89116	9.0
81.07024	2.9
91.05478	1.4
93.07032	6.2
95.08580	2.3
105.07005	1.3
107.08599	2.7
109.02821	1.2
109.10140	4.6
121.06482	4.0
123.11698	5.2
133.06509	1.2
135.08028	2.7
135.11644	9.0
136.17694	1.1
139.52725	1.3
147.08022	2.1
149.06004	2.1
153.12723	2.6
161.05945	2.0
163.03925	2.7
165.05502	2.0
173.09602	1.6
175.07512	9.7
177.05435	12.6
181.04840	2.6
189.09007	1.8
191.06992	2.6
199.07288	1.3
201.05402	2.8
203.07004	18.8
205.08588	2.5
207.10207	1.8
209.08018	1.8
216.63135	1.3
217.08577	12.7
219.10121	6.3
221.08067	10.9
227.10587	3.2
229.08589	10.5
233.11639	2.5
235.09616	4.4
241.08501	4.4
243.10124	2.9
250.20036	1.2
259.13208	1.7
269.11615	3.7
269.88403	1.4
273.14877	2.8
277.14322	15.0
283.13092	2.1
285.14798	17.9
287.12717	3.2
325.18015	8.3
331.19019	1.6
341.21091	48.9
343.18988	100.0
344.19238	1.7
359.21686	2.1
361.20050	4.0
397.23740	3.4
399.25290	6.5
411.25357	4.9
494.02045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
51.38630	1.1
55.01859	1.8
57.07060	2.6
59.35653	1.1
67.05491	1.5
69.07063	9.2
70.36364	4.8
79.05470	3.2
81.07047	6.1
91.05480	2.5
93.07021	4.5
95.08570	1.8
95.87090	1.1
105.07034	2.0
107.04955	1.5
107.08597	6.1
108.87205	1.0
109.10155	3.1
117.07033	1.9
119.08553	3.8
121.06503	5.1
121.10150	1.3
123.11681	27.0
129.07027	1.9
133.06467	3.1
135.04413	7.3
135.08009	11.0
135.11671	5.0
147.08064	6.4
149.05933	1.2
151.03868	5.3
157.06459	3.1
161.05943	11.8
163.03886	30.6
163.07515	1.7
175.07532	19.9
177.05438	2.9
181.04924	13.9
185.05962	3.3
191.06987	3.5
195.06548	1.5
201.09073	2.2
203.06996	95.8
207.10124	3.1
209.08017	5.8
217.08585	2.4
219.10127	89.4
221.08057	67.3
229.08566	1.3
257.11591	2.0
259.13358	5.6
265.14319	1.3
267.13687	3.5
273.14801	3.0
275.12860	4.2
275.16364	32.4
277.14307	63.7
278.14487	1.3
278.64621	1.5
285.14828	13.4
289.14395	2.0
307.16858	1.5
310.75009	1.3
325.17816	3.9
331.18979	1.5
341.16959	2.8
341.21060	49.6
343.18979	100.0
344.19366	1.6
345.20523	15.1
359.22189	6.6
361.20102	6.6
397.23547	1.4
399.25266	10.4
411.25400	8.8
416.32318	1.3
499.18475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05493	2.6
57.07063	7.5
67.05497	3.8
69.07060	13.6
69.62321	9.7
70.06582	4.9
71.04985	1.6
71.08617	2.1
79.05462	2.5
81.07046	10.9
85.10133	1.2
88.07618	5.2
91.05468	2.9
93.07017	5.9
95.04950	1.2
95.08591	4.8
97.10144	3.0
98.21412	1.7
102.09167	3.3
105.06991	1.7
107.04932	1.9
107.08585	6.8
109.02874	1.3
109.06483	1.5
109.10149	6.9
119.08555	2.6
121.06506	5.0
121.10107	3.2
123.11686	30.7
129.06993	1.4
133.06467	3.0
133.10130	1.8
133.23482	1.2
135.04385	6.0
135.08026	10.4
135.11688	8.8
147.08037	6.3
149.05917	2.8
151.03870	6.8
157.06473	3.1
161.05957	12.3
163.03880	32.5
163.07486	1.4
165.05463	1.6
175.04027	1.3
175.07516	16.9
177.05458	6.5
181.04941	18.8
185.06023	1.6
187.03851	1.3
187.07391	1.3
191.06998	5.0
200.20108	8.0
201.05472	2.5
201.09026	1.8
201.20410	2.1
203.07010	74.6
205.08545	2.7
207.10167	2.9
209.08087	3.3
213.12730	1.1
215.07057	1.5
217.08546	6.8
219.10135	100.0
220.10484	1.8
221.08058	54.3
228.23215	4.1
229.08636	4.0
229.23560	2.6
233.08109	1.3
235.09329	1.0
240.68349	1.0
241.08583	2.6
243.10150	3.3
245.11703	2.6
257.11740	3.9
259.09723	1.5
259.13263	5.6
261.11136	1.7
267.13815	6.8
269.11682	1.5
273.14798	3.2
275.12799	3.7
275.16336	22.5
277.14316	28.1
283.13303	1.8
283.26282	4.3
284.26663	3.6
285.14841	24.4
289.14325	2.0
299.16354	3.0
303.15765	5.0
307.17096	1.6
311.29404	4.6
312.29691	4.1
315.19559	1.4
317.17505	4.8
325.17853	7.9
341.21075	67.9
343.18994	74.1
344.19543	1.2
345.20615	12.4
359.18292	2.4
359.22235	16.1
361.19965	12.3
397.27750	7.8
399.25256	34.7
411.25266	17.5
429.26416	2.3
460.09335	1.1
467.31253	4.0
484.47263	11.6
485.31915	1.1
485.47470	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	485.2504
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
52.13416	0.4
71.00529	0.7
89.06009	0.7
91.53578	0.3
92.92973	0.3
101.75719	0.3
123.04183	0.7
159.11607	0.4
160.54840	0.3
180.07574	1.2
204.07506	0.8
206.05487	1.1
207.06287	4.0
217.08382	0.5
227.13960	0.6
233.11421	0.4
245.15271	0.8
249.14546	1.8
271.12994	0.8
283.13107	1.5
284.13721	0.5
296.13855	1.4
301.14087	2.4
313.21362	0.5
315.12039	0.9
332.02280	0.4
337.17807	0.6
354.17972	5.0
355.18768	10.0
357.20209	0.4
372.19046	1.0
373.19922	0.6
385.00519	0.3
399.17813	2.4
423.25040	1.3
441.25995	7.7
467.24103	1.6
480.29547	0.3
485.25064	100.0
486.25397	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	485.3254
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
54.31108	0.5
55.01849	1.0
55.05508	1.5
67.01810	0.6
67.05479	2.5
69.03410	1.0
69.07059	19.5
69.76955	3.9
69.77367	1.1
71.04989	0.6
79.05482	1.1
80.71343	0.5
81.07040	4.7
86.71193	0.6
91.05450	1.5
93.07031	3.7
95.04959	0.7
95.08579	3.1
97.06510	0.7
105.07015	2.0
107.04925	0.8
107.08572	3.3
109.06441	0.7
109.10141	4.3
117.06973	1.2
119.08555	2.5
121.06463	3.9
121.10117	1.6
121.97768	0.6
123.11694	11.4
129.06995	1.6
132.18762	0.7
133.06474	2.4
133.10109	1.0
135.04385	1.7
135.08015	5.9
135.11655	3.8
145.06520	0.8
147.08034	4.0
149.06003	1.2
151.03897	4.4
153.05396	0.9
155.48402	0.6
157.06441	2.0
159.08073	0.6
161.05968	8.2
163.03879	7.2
163.07523	1.9
165.05457	0.9
173.06052	0.6
175.03822	1.0
175.07532	11.7
177.05421	2.8
181.04962	3.0
185.05977	1.2
187.07492	1.0
187.11256	0.6
189.05475	1.2
189.09146	1.3
191.06984	5.5
195.06573	0.7
201.05424	2.5
201.09071	0.6
201.12709	0.8
201.78481	0.6
203.07001	49.1
204.07362	0.7
205.08624	4.4
207.10225	1.2
209.08044	4.4
215.07037	2.5
215.10524	0.8
217.08542	2.8
219.10159	11.9
221.08063	29.3
221.11502	1.5
223.09610	3.7
227.10704	1.0
229.08588	2.7
229.12222	1.2
231.10078	1.1
233.08095	2.6
235.09659	0.8
241.08495	1.0
241.12154	0.7
243.10109	2.5
245.11720	1.6
257.11804	2.7
261.11227	1.3
263.12576	0.7
267.13797	2.3
269.11667	1.4
273.11362	0.7
273.14676	2.8
275.12799	3.0
275.16251	0.9
277.14316	4.7
285.14847	10.4
287.12677	1.3
289.14362	0.6
291.15851	4.7
303.15814	7.5
325.17899	2.6
328.20447	0.8
329.21005	1.5
331.18933	0.9
341.21069	13.1
343.18985	15.3
349.20114	2.3
359.22131	10.8
361.20038	100.0
362.20490	3.8
368.90997	0.7
397.27567	3.1
399.25281	0.8
415.24777	3.2
417.26306	5.8
429.26239	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2502
Annotation	Arg Tyr Phe
Peak:m/z	Relative Intensity
53.33386	0.4
67.05486	0.4
70.10364	2.2
75.89527	0.4
102.63719	0.4
105.03379	1.7
123.04190	0.9
177.08919	0.4
180.07535	1.8
193.04901	0.5
207.06198	3.2
215.10529	0.4
231.14000	0.4
233.11552	0.4
238.68314	0.5
245.15048	0.6
249.14597	1.3
271.13086	0.6
283.13089	1.9
284.13843	1.0
288.13345	1.0
296.13773	0.7
301.14105	1.0
301.84216	0.4
304.12820	0.6
315.12018	0.9
336.17026	0.9
337.17682	1.6
354.17932	5.9
355.18768	6.4
357.20520	0.6
372.19098	1.0
380.19287	0.6
381.19528	1.1
399.17697	6.4
415.17203	0.4
417.18970	0.9
423.25052	2.4
436.01315	0.4
441.26089	4.0
485.25052	100.0
486.25406	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	485.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56390	0.3
50.99221	0.3
71.14426	0.9
81.52412	0.3
94.36832	0.3
114.49300	0.3
123.04178	0.5
148.83496	0.3
162.06665	0.3
175.07222	0.4
180.07593	1.0
188.11661	0.5
204.07590	0.6
206.05634	0.4
207.06290	2.7
217.08363	0.4
226.13300	0.5
227.14183	0.5
230.32132	0.4
231.09932	0.4
232.10751	0.4
244.14157	0.4
245.15170	0.4
249.14668	1.4
271.13083	0.8
277.10645	0.6
281.11691	0.3
283.13049	2.8
284.13919	0.9
285.14609	0.9
288.13297	0.4
294.32120	0.4
296.10767	0.4
296.13727	1.7
297.14673	0.5
301.14023	1.2
304.12860	0.6
313.21414	0.5
315.11954	0.6
336.16867	0.5
337.17538	0.5
353.17154	0.4
354.17950	9.0
355.14392	0.5
355.18747	10.9
357.20416	0.9
364.17490	0.3
372.19025	0.7
373.19629	0.3
399.17770	6.6
416.17975	0.4
423.25006	1.3
441.26099	6.8
441.31708	0.3
485.25064	100.0
486.25400	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	485.2503
Annotation	Segetalin B
Peak:m/z	Relative Intensity
53.03912	2.1
56.00375	1.5
57.03416	3.1
57.07068	13.1
64.30085	1.6
65.10000	1.7
66.26391	1.4
67.05485	5.9
68.99786	8.6
69.07072	8.1
69.98205	3.5
69.98608	9.3
71.08624	8.1
74.59375	1.7
79.05466	1.9
81.07044	7.5
83.08582	2.1
85.10150	6.1
89.06019	8.2
91.05453	3.3
93.07019	7.3
94.68011	1.6
95.04937	7.4
95.08616	9.7
95.09109	1.7
97.10117	2.0
98.98425	2.8
105.03385	45.8
105.06986	4.4
107.08549	6.4
109.06472	2.0
109.10155	3.9
119.08588	4.0
121.06489	4.2
121.10124	9.8
123.04430	1.5
123.08023	1.8
129.30858	1.5
133.08539	3.8
133.10121	7.8
135.11678	7.0
137.09543	2.8
143.08498	3.5
145.10046	2.6
147.04405	14.2
147.08014	2.2
155.01074	1.9
159.11650	1.7
161.09714	2.0
163.11191	2.9
165.09128	3.5
168.37964	1.4
171.07976	5.8
173.09479	1.8
184.07692	2.2
189.09145	2.0
203.06963	4.8
209.11734	1.9
219.13808	2.5
229.08522	5.0
285.10910	2.8
287.12424	3.9
313.27310	44.7
329.13504	7.0
343.18964	3.8
347.16422	6.4
358.60233	1.6
359.20493	1.9
363.14175	2.0
365.17490	15.0
383.18338	2.6
399.17871	5.2
417.19174	9.9
431.21768	6.7
449.22876	36.6
467.17844	3.1
467.23978	37.4
485.24921	100.0
486.25320	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	485.2007
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.79990	0.3
55.01862	0.4
55.05495	0.8
57.03415	0.6
67.05495	1.1
69.03429	0.8
69.07050	0.7
71.04962	0.5
71.82188	0.7
73.02910	0.5
76.46416	0.5
79.05459	0.5
81.07043	1.1
85.02898	0.7
91.05467	1.0
93.07030	0.8
95.04988	0.6
95.08595	1.4
97.06535	0.5
103.33220	0.4
105.07035	0.8
107.08559	1.0
109.06561	0.4
109.10135	1.1
117.07066	0.4
119.08523	0.6
121.10139	1.1
123.04411	1.4
123.11775	0.4
133.10075	0.5
135.11691	0.7
139.03876	0.8
145.10135	0.6
147.04489	0.5
151.03909	0.6
155.07050	0.7
165.05478	1.0
165.09102	0.6
175.86086	0.4
185.04230	0.9
191.10492	0.5
205.04886	2.3
206.05696	5.1
207.05997	2.9
208.06293	2.6
229.06821	1.2
235.09618	24.9
236.09970	17.4
237.10167	23.2
237.77992	0.4
315.19662	0.5
317.08392	24.8
323.18146	0.5
333.20673	1.4
335.09320	0.8
485.19952	100.0
486.20502	1.5
501.19791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79990	0.3
55.01862	0.4
55.05495	0.8
57.03415	0.6
67.05495	1.1
69.03429	0.8
69.07050	0.7
71.04962	0.5
71.82188	0.7
73.02910	0.5
76.46416	0.5
79.05459	0.5
81.07043	1.1
85.02898	0.7
91.05467	1.0
93.07030	0.8
95.04988	0.6
95.08595	1.4
97.06535	0.5
103.33220	0.4
105.07035	0.8
107.08559	1.0
109.06561	0.4
109.10135	1.1
117.07066	0.4
119.08523	0.6
121.10139	1.1
123.04411	1.4
123.11775	0.4
133.10075	0.5
135.11691	0.7
139.03876	0.8
145.10135	0.6
147.04489	0.5
151.03909	0.6
155.07050	0.7
165.05478	1.0
165.09102	0.6
175.86086	0.4
185.04230	0.9
191.10492	0.5
205.04886	2.3
206.05696	5.1
207.05997	2.9
208.06293	2.6
229.06821	1.2
235.09618	24.9
236.09970	17.4
237.10167	23.2
237.77992	0.4
315.19662	0.5
317.08392	24.8
323.18146	0.5
333.20673	1.4
335.09320	0.8
485.19952	100.0
486.20502	1.5
501.19791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28616	0.4
55.05494	1.8
57.07067	14.3
58.06577	1.2
59.51184	0.4
66.22810	0.4
67.05499	2.7
67.45943	0.4
68.04988	0.4
69.07055	4.3
70.06212	0.8
70.06583	12.5
70.83664	0.7
70.83990	0.8
71.08254	0.5
71.08619	7.3
73.02899	1.0
79.05453	0.5
81.07030	2.0
83.08595	1.5
85.10193	2.4
88.07618	15.9
93.07033	1.1
95.08595	3.0
97.10165	1.5
98.21449	0.5
102.09171	10.8
105.07014	0.5
106.08676	0.7
107.08612	0.5
109.10150	0.7
122.07488	0.4
123.11691	0.8
135.11720	0.6
161.06024	0.8
169.06493	0.5
175.07524	1.0
177.05486	0.7
181.64519	0.4
188.69228	0.4
200.20059	26.2
203.06964	3.5
204.07381	1.3
211.11218	0.4
212.11383	0.6
217.08594	0.6
218.21143	2.5
219.10182	1.3
221.07956	2.2
222.08522	1.1
228.23189	17.4
229.08589	0.5
237.11140	0.5
246.24312	1.5
255.23178	1.9
256.26443	0.7
260.13431	0.6
263.10550	0.5
264.11029	0.5
277.14255	2.2
278.14600	2.3
283.26279	15.9
285.14771	0.9
291.15930	0.4
294.47733	0.4
306.15686	1.4
311.29395	25.0
323.16721	0.5
324.16660	2.1
341.17358	0.8
341.21164	0.9
342.17859	2.0
343.18967	3.3
357.39648	0.5
359.22208	1.1
360.19113	0.8
361.20142	2.5
380.23401	0.5
387.96658	0.4
397.23660	0.4
398.24203	2.3
399.25015	0.7
416.25095	2.0
484.47195	100.0
485.47516	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	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
55.05515	1.1
57.03428	6.0
57.07071	0.5
59.04994	1.9
61.02910	3.9
67.05492	2.0
69.03419	11.0
69.07063	4.5
70.28940	2.5
71.01340	1.6
71.04984	0.8
71.08624	46.8
71.92585	0.5
72.08956	0.6
73.02518	1.0
73.02909	14.9
79.05470	1.2
79.15700	0.5
81.03420	1.8
81.07032	1.1
83.04959	0.6
83.08591	0.7
83.27446	0.4
85.02894	20.0
86.09686	2.3
87.04482	1.6
91.03957	1.0
91.05500	1.2
93.07027	0.5
97.02883	15.0
97.06526	2.1
99.04440	0.7
99.08084	100.0
100.08442	0.8
103.03939	1.4
104.10746	1.5
107.08605	0.6
109.02855	2.1
109.10134	1.5
115.03922	7.1
119.04933	2.2
119.08609	0.7
123.04433	1.6
125.00013	1.1
125.77665	0.5
127.03905	7.0
129.12740	11.8
133.04959	8.9
133.10179	0.5
135.04308	0.5
135.11671	1.0
135.12682	0.4
139.03952	0.5
145.04953	8.2
145.10069	0.7
147.04387	7.4
154.21579	0.5
155.08549	3.3
155.14297	3.6
163.03897	1.2
163.05989	1.9
163.11154	1.3
165.12688	0.7
173.02370	1.8
173.15359	93.1
174.02718	1.4
174.15726	1.5
177.05418	1.0
181.05014	0.7
184.07303	5.0
215.07079	1.0
216.07333	1.9
223.05969	1.6
229.14334	1.5
232.96210	0.5
241.07085	1.9
255.15901	2.7
255.99129	0.6
259.07962	1.3
260.09933	1.1
274.11548	1.6
287.18640	0.6
484.18185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.0
55.05515	1.1
57.03428	6.0
57.07071	0.5
59.04994	1.9
61.02910	3.9
67.05492	2.0
69.03419	11.0
69.07063	4.5
70.28940	2.5
71.01340	1.6
71.04984	0.8
71.08624	46.8
71.92585	0.5
72.08956	0.6
73.02518	1.0
73.02909	14.9
79.05470	1.2
79.15700	0.5
81.03420	1.8
81.07032	1.1
83.04959	0.6
83.08591	0.7
83.27446	0.4
85.02894	20.0
86.09686	2.3
87.04482	1.6
91.03957	1.0
91.05500	1.2
93.07027	0.5
97.02883	15.0
97.06526	2.1
99.04440	0.7
99.08084	100.0
100.08442	0.8
103.03939	1.4
104.10746	1.5
107.08605	0.6
109.02855	2.1
109.10134	1.5
115.03922	7.1
119.04933	2.2
119.08609	0.7
123.04433	1.6
125.00013	1.1
125.77665	0.5
127.03905	7.0
129.12740	11.8
133.04959	8.9
133.10179	0.5
135.04308	0.5
135.11671	1.0
135.12682	0.4
139.03952	0.5
145.04953	8.2
145.10069	0.7
147.04387	7.4
154.21579	0.5
155.08549	3.3
155.14297	3.6
163.03897	1.2
163.05989	1.9
163.11154	1.3
165.12688	0.7
173.02370	1.8
173.15359	93.1
174.02718	1.4
174.15726	1.5
177.05418	1.0
181.05014	0.7
184.07303	5.0
215.07079	1.0
216.07333	1.9
223.05969	1.6
229.14334	1.5
232.96210	0.5
241.07085	1.9
255.15901	2.7
255.99129	0.6
259.07962	1.3
260.09933	1.1
274.11548	1.6
287.18640	0.6
484.18185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
54.06692	0.9
55.01853	2.1
55.05495	2.7
57.03424	4.4
57.07047	1.1
61.02898	3.7
67.01818	1.9
67.05485	1.1
69.03048	1.3
69.03412	15.0
69.07054	15.2
69.83273	5.9
73.02900	1.9
79.05492	2.2
79.16222	0.7
81.03401	5.8
81.07052	6.0
85.02884	41.9
85.46790	0.9
87.04456	5.8
91.03874	1.0
91.05450	1.4
93.07006	2.6
95.04958	1.0
95.08588	2.5
97.02869	15.1
97.10130	2.5
98.21435	1.8
99.04404	1.3
102.70178	1.0
105.07037	1.6
107.04935	14.0
107.08548	1.5
109.02855	2.8
109.06510	4.6
109.10136	2.9
110.20242	0.8
111.11703	24.7
115.03889	10.3
119.08568	1.9
121.06471	8.6
121.10116	1.3
123.04409	1.6
123.11692	8.9
125.48732	0.8
127.03891	7.6
133.04935	10.0
133.06435	1.3
135.04390	46.8
135.07962	1.9
135.11674	2.9
137.05948	21.9
137.07010	1.1
139.03871	2.7
143.08458	1.1
144.06567	1.0
145.04907	8.1
145.06041	1.0
147.04358	0.9
147.07964	2.0
147.29759	0.9
147.92404	0.9
149.05942	26.0
149.09505	1.1
151.07529	1.2
153.05423	7.2
156.32176	1.0
157.10120	1.2
161.05969	5.5
161.09689	1.1
162.07672	0.9
163.03874	51.6
163.07487	11.2
164.04222	1.4
173.05815	0.9
175.07523	17.7
177.05440	37.1
177.09047	13.4
180.08644	5.0
181.04930	29.1
189.05423	3.5
189.09067	8.3
191.06987	5.9
191.10631	4.1
195.06488	14.5
203.06972	4.4
203.10635	11.1
205.08470	1.6
207.06543	2.7
211.36281	0.9
217.08562	5.3
221.08020	16.8
231.10088	4.5
235.09621	4.2
241.15875	1.3
259.16891	100.0
260.17288	2.0
287.16339	13.6
305.17386	2.0
306.05835	0.9
323.09131	0.8
433.13739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44889	2.3
55.05511	4.8
67.05489	7.9
69.03419	15.3
69.07053	5.3
70.92900	8.0
71.04981	4.8
79.05479	11.6
81.07049	17.5
83.04974	15.4
83.08611	7.1
85.02876	7.8
85.06522	6.3
91.05489	4.1
93.07040	25.5
95.04947	14.4
95.08596	17.6
97.02850	3.6
97.06541	13.6
99.04425	6.8
101.06015	4.3
105.07008	12.8
107.08581	19.5
109.06509	36.1
109.10149	2.6
111.04401	3.7
111.08038	5.6
113.06006	14.5
114.09116	3.2
115.03868	2.4
117.07024	3.7
119.08564	8.5
121.06466	8.9
121.10146	8.7
123.04408	2.9
123.08045	4.5
123.11692	4.0
125.05936	13.6
127.03897	3.3
127.07530	8.5
129.05482	8.8
130.33525	2.3
131.08549	4.6
132.11420	2.4
133.09274	2.6
133.10155	3.5
135.08012	6.7
135.11661	10.6
137.05946	4.4
137.09663	3.3
139.07498	8.4
141.05519	2.5
143.06999	7.4
143.08548	3.6
145.10092	19.5
145.70262	2.6
146.14719	2.5
147.11630	3.9
149.13272	5.2
157.08586	4.0
159.06520	7.4
159.11630	17.7
161.13258	3.1
163.11154	25.1
165.09096	3.2
169.10034	6.6
173.08080	6.5
175.06030	2.7
177.12679	14.1
180.08731	4.0
181.12193	17.7
187.11156	23.3
191.10666	4.3
195.13773	4.4
197.09674	2.5
199.13283	5.9
205.12204	37.5
215.10672	5.2
223.13271	86.1
224.13638	2.9
226.80035	2.8
227.12724	7.7
233.11768	4.4
241.14342	100.0
245.13890	5.8
251.12712	20.8
259.15253	12.2
269.13852	53.3
287.14859	23.2
305.15927	23.6
306.80917	2.4
323.10800	3.4
409.84637	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	484.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76914	1.9
55.01862	3.5
55.05510	5.1
55.38411	1.7
57.03430	3.1
61.02930	2.8
62.17054	1.7
67.05514	10.4
67.05800	1.7
69.03425	20.2
69.07059	10.9
70.06586	2.1
71.04964	5.1
71.80706	3.6
72.66003	1.8
73.02879	3.0
79.05482	8.0
81.03400	5.3
81.07045	25.4
83.04971	19.0
83.08606	3.3
84.08128	2.7
85.02893	24.7
85.06516	5.8
86.09696	8.4
91.05438	10.3
93.07025	33.5
95.04955	15.7
95.08604	18.5
97.02883	10.4
97.06509	15.2
99.04436	7.4
99.08094	3.7
103.03921	9.6
105.07005	18.4
107.04921	3.8
107.08582	20.1
109.02874	5.8
109.06503	46.2
109.10162	12.3
111.04400	2.9
111.08087	6.4
113.06002	12.8
115.03926	3.0
116.07063	2.7
117.06989	4.3
119.04908	3.3
119.08572	12.4
121.06511	10.5
121.10120	7.6
123.04422	2.7
123.08083	8.3
123.11638	2.7
124.99981	4.4
125.05946	11.3
125.09663	2.6
127.03890	15.1
127.07514	6.6
127.11166	5.6
129.05449	5.8
131.08557	5.3
133.02893	2.3
133.06464	2.9
133.10106	3.9
135.04463	2.3
135.08055	9.0
135.11667	16.7
137.05980	5.2
137.09555	3.4
139.07497	5.6
141.05440	2.7
143.06998	10.5
145.04941	10.6
145.10130	22.7
147.11674	9.0
149.09616	2.6
149.13229	6.6
151.11115	3.0
153.12691	2.4
155.06923	2.2
157.04921	2.0
157.08578	5.4
159.06517	8.0
159.11719	19.5
161.09586	5.9
161.13228	2.3
163.05988	4.2
163.11176	25.7
165.09109	3.7
165.12759	3.8
169.10097	5.4
173.08145	4.9
173.09660	2.5
173.11737	5.2
177.12740	15.1
179.03360	29.6
181.12170	20.1
184.07269	17.8
187.11140	22.5
191.10715	3.4
195.13753	2.6
197.09586	2.9
199.13290	7.5
205.12199	33.0
207.07639	6.1
215.10689	6.8
223.13254	100.0
227.12830	9.3
233.11751	8.7
241.14328	99.7
241.16876	2.6
245.13869	7.3
251.12744	26.3
259.15329	16.4
269.13824	61.6
287.14850	24.6
305.15952	22.4
322.16437	4.5
397.12592	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	483.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25615	1.7
57.92117	1.5
60.26033	1.4
62.71508	1.8
67.05488	2.8
69.07059	27.7
69.81483	10.5
69.81901	3.7
71.41264	1.5
81.07047	3.1
91.05493	2.0
93.07011	2.6
95.08591	10.5
105.07008	6.7
107.08572	4.0
117.07032	3.2
119.08523	3.0
121.06447	3.0
121.10140	13.3
131.08517	2.7
135.08041	3.5
145.10095	5.7
147.08041	4.0
147.11681	2.9
149.05965	1.8
153.05487	1.6
155.08472	1.9
157.10132	1.5
159.11638	2.5
161.05952	7.2
163.03854	2.2
169.06477	7.1
173.09619	4.8
175.07530	8.4
177.05460	6.4
181.10065	4.0
183.11618	11.8
191.06975	1.9
195.06586	7.8
195.11726	2.0
203.06996	62.4
205.08563	3.4
207.06477	2.2
207.11656	5.7
211.11203	16.6
219.10095	6.7
221.06117	3.2
221.08070	42.0
223.14838	2.1
225.12778	5.1
229.08565	2.9
229.12061	3.4
235.11244	2.8
237.16216	2.3
247.09547	5.1
249.16286	2.6
251.14380	8.2
253.12178	3.6
259.13095	11.2
262.13492	4.1
263.10678	15.9
265.10614	2.0
267.17545	2.4
271.13031	4.2
275.13126	2.2
275.16263	2.0
277.14252	100.0
278.14575	2.7
281.11627	6.4
283.13376	2.2
285.11069	1.7
287.14044	2.0
295.16846	5.4
303.15878	2.7
305.15332	32.4
321.16757	2.2
323.16385	46.8
327.19455	3.7
329.76276	2.0
341.17404	48.4
345.20609	14.1
359.18411	19.7
361.21448	2.0
379.22626	13.3
391.22635	1.9
395.25797	2.4
397.23691	73.6
398.24197	2.0
415.24734	49.8
419.29440	2.3
429.27518	2.0
465.30835	12.6
483.31665	12.3
484.47174	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	483.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.7
66.91626	1.5
67.05486	3.7
69.07060	30.1
70.45164	4.9
71.04955	1.9
72.76905	1.6
79.05476	1.8
81.07027	4.6
81.85516	1.4
89.06008	2.8
89.67493	1.5
91.05452	2.2
93.07010	6.2
95.04899	1.8
95.08594	8.8
105.07000	6.2
107.08556	6.0
109.06495	2.8
109.10119	2.6
119.08553	3.2
121.06508	4.9
121.10128	17.4
123.04373	2.6
131.08508	1.7
133.06508	1.8
133.10086	4.8
135.08028	4.3
145.10107	6.1
147.08022	4.2
147.11690	2.8
149.05977	3.3
155.08539	3.7
157.06467	2.0
157.10104	1.9
161.05959	7.0
163.03886	1.9
163.37994	1.4
165.05577	2.4
165.06955	1.7
168.09312	2.5
169.06470	5.1
173.09619	8.0
175.07599	9.5
177.05435	8.6
177.08981	1.6
179.03348	3.4
181.10101	2.2
183.11681	13.8
187.07541	2.4
191.07010	1.7
195.06496	8.9
195.11682	2.2
199.11079	2.0
201.09142	2.8
201.12752	2.2
203.06987	60.1
205.08459	2.2
207.11678	6.3
209.09586	1.8
211.11154	19.9
215.10643	2.0
217.08563	1.9
219.10086	4.4
219.11890	1.8
221.08047	38.5
223.14844	2.9
225.12708	5.6
235.11201	5.2
237.16367	3.0
239.10756	2.2
243.10091	2.0
247.09496	3.6
249.16333	3.2
251.14305	14.0
253.12029	2.8
257.08035	5.8
257.11804	2.2
259.13248	9.6
262.13519	3.0
263.10669	20.1
263.13794	2.5
263.14255	2.3
265.10471	2.9
267.10165	2.6
267.17383	2.2
269.15338	2.5
271.13187	2.9
275.12888	3.8
275.16312	3.7
277.14175	72.9
281.11642	5.7
283.13205	2.7
283.17590	2.7
284.18066	1.9
287.14307	1.9
289.80560	1.5
290.12988	2.3
295.16925	7.4
304.39322	1.6
305.12006	2.8
305.15338	38.4
321.18253	2.3
323.16370	55.0
339.19540	5.2
341.13312	3.6
341.17447	63.8
345.20581	5.4
357.20486	2.1
359.18457	20.0
377.20728	1.8
379.22693	9.3
380.20737	1.7
395.26184	2.0
397.23679	100.0
398.24008	3.4
415.24741	67.4
416.25214	2.2
447.28363	3.7
465.29865	6.7
483.24640	2.3
483.31021	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.9
60.87871	1.8
67.05511	3.2
68.06990	1.8
69.07063	32.1
69.99070	7.8
69.99483	3.4
71.04977	1.7
79.05463	1.8
81.07038	2.7
89.06019	3.4
91.05470	3.6
93.07037	5.8
95.04971	2.2
95.08594	9.4
98.20740	2.2
105.07018	6.1
107.08571	6.4
113.92968	1.6
119.08557	2.9
121.06511	4.1
121.10128	20.3
123.08064	3.3
129.07034	2.0
131.51591	1.7
133.06500	2.3
133.10124	5.9
135.08011	3.8
135.11674	2.3
143.08566	2.7
145.10124	5.3
147.08005	4.3
147.11612	4.4
149.05975	2.3
155.08504	2.2
157.06464	3.3
157.10103	2.0
159.11673	3.2
161.05992	10.9
163.03860	3.7
169.06465	8.3
169.10078	1.9
173.09634	9.0
175.07524	8.5
175.11177	3.2
177.05466	9.2
178.11566	1.9
181.10118	4.7
183.11691	13.1
193.10117	2.5
195.06493	8.3
199.11218	1.8
201.09074	2.9
203.06996	61.8
207.11653	6.1
209.09680	3.4
211.11157	22.0
215.07109	2.4
217.08501	1.8
219.06479	9.5
219.10176	6.5
221.08047	38.1
223.14734	2.5
225.12750	4.0
229.08521	3.0
229.12267	3.7
232.77657	1.7
235.11206	4.4
237.12770	3.8
237.16341	3.5
247.09529	4.0
249.16312	3.0
251.14346	12.1
253.12259	4.0
259.13248	10.7
262.13586	3.1
263.10577	19.7
263.13248	2.6
265.10535	5.0
265.12610	2.8
267.17560	1.9
271.13400	4.1
275.12875	2.6
275.16602	2.4
277.14197	75.0
281.11694	6.6
281.15112	4.1
287.14200	2.1
290.12915	2.8
293.14139	1.9
295.16895	8.1
305.15308	36.1
323.12466	3.4
323.16354	65.6
327.19531	2.2
329.17316	2.3
339.19556	2.6
341.17432	68.2
345.20605	8.2
357.20642	1.9
359.18433	24.8
377.21069	2.4
379.22644	11.2
395.26025	3.1
397.23694	100.0
398.24155	4.2
399.25208	3.0
413.22757	2.9
415.24747	75.4
416.25031	2.9
447.29123	3.2
453.29364	1.9
465.30008	9.4
483.31216	32.6
484.31952	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	483.3098
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
55.05497	10.9
57.07062	9.7
63.70924	2.2
67.05494	24.4
69.07053	43.2
71.04983	6.3
71.08602	5.0
71.40748	5.4
79.05482	6.6
81.07047	18.4
83.05000	2.4
83.08596	11.2
85.06516	2.8
91.05454	9.2
93.07050	15.0
95.04953	3.5
95.08595	26.4
97.06515	3.5
97.10157	10.1
105.03387	5.0
105.07015	12.3
107.08559	13.3
109.06493	5.3
109.10139	20.2
111.24664	2.1
113.06030	3.9
117.07050	2.5
119.08546	11.3
121.06507	4.8
121.10121	9.1
123.08077	2.3
123.11689	5.1
125.09604	5.8
131.08554	5.1
133.10106	24.5
135.08017	2.6
135.11678	9.6
143.08533	6.6
145.10101	5.9
147.08044	3.2
147.11690	4.5
149.09605	4.1
155.10593	3.4
157.10204	4.7
159.11714	7.8
161.09590	4.5
163.03896	2.2
163.07581	2.9
163.11133	2.7
165.05464	2.5
165.09203	2.9
169.10083	3.7
171.08109	3.0
171.11736	3.1
173.05888	2.4
173.09610	5.7
173.11760	4.8
173.13254	4.0
175.07578	3.3
175.11259	2.5
177.05469	5.1
179.03418	8.7
179.10661	3.4
181.08557	2.7
183.11728	4.2
185.09604	2.0
187.07471	2.7
187.11154	2.3
189.05464	4.3
189.09148	3.3
189.11159	5.5
195.06471	4.3
195.11685	4.8
197.04402	5.0
197.13301	3.7
199.11226	2.2
201.09013	3.5
201.16298	2.6
203.07019	12.6
205.08528	4.9
207.11749	2.7
211.11166	4.1
211.14749	3.5
213.16389	2.9
215.10643	4.7
219.10141	6.9
219.13766	2.1
221.08073	9.4
225.12793	3.9
227.10741	3.4
227.12683	3.5
229.08588	2.4
229.12152	3.2
229.14218	2.8
235.13153	2.7
237.12704	3.8
239.10583	3.0
239.14281	2.6
241.12323	4.1
243.10179	2.7
245.11719	4.5
247.09642	7.4
253.12279	3.1
257.08102	8.4
257.11615	2.8
259.13229	6.7
265.10495	4.6
265.15848	3.0
267.13571	3.1
271.13388	3.9
277.14261	14.1
283.13126	4.4
291.13675	3.4
291.17264	2.5
293.19058	2.3
295.16861	2.8
301.17828	2.4
303.15930	4.2
309.18402	3.7
311.16376	4.5
311.19757	4.2
311.25726	8.2
315.16043	3.1
321.18207	4.0
323.16406	7.9
327.19531	7.3
329.17383	2.6
331.52029	2.2
339.19595	14.5
341.17401	17.3
343.19058	3.7
345.20422	2.9
347.18643	2.4
349.21277	2.3
357.20633	3.6
359.18512	3.5
361.21567	2.5
379.18448	4.5
379.22601	7.3
395.25668	7.4
397.23804	27.6
409.23679	7.7
413.26706	4.7
415.25034	10.3
419.29285	2.6
427.24759	11.8
437.30450	4.4
447.29022	14.3
465.30203	41.6
466.30051	3.2
483.31378	100.0
483.36954	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	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63200	0.8
53.03944	2.1
55.01857	0.8
55.05502	1.4
57.07068	1.5
67.05490	3.8
69.07065	8.7
71.61308	1.3
79.05471	2.0
81.07045	6.4
83.01344	2.1
91.05453	2.2
93.07034	5.8
95.04947	4.8
97.10097	0.9
105.03383	47.2
105.07063	1.1
107.08579	9.3
119.04788	1.0
119.08553	1.5
121.10107	1.4
123.11694	21.4
134.81914	0.8
135.11690	16.2
137.02316	2.7
141.01813	3.5
151.03891	4.7
155.03392	1.6
163.10954	0.9
165.05470	11.2
167.03354	3.5
179.03378	65.1
180.97432	1.0
195.02861	1.7
197.04440	43.1
198.34209	1.2
221.11710	6.3
245.08037	5.8
255.06425	1.3
257.08066	100.0
258.08215	1.0
271.09662	1.5
287.16370	4.4
293.11697	1.4
294.72031	0.9
295.09543	1.2
311.25894	4.2
316.29443	0.9
325.14301	14.4
325.77460	1.1
343.22632	1.5
377.17725	1.5
379.19012	40.5
391.18854	6.8
397.20032	4.1
409.20288	1.8
447.25217	2.7
483.27832	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	483.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54457	1.8
55.01852	2.8
55.05492	4.5
57.07069	23.0
58.07409	4.2
62.06062	2.9
67.05486	7.5
69.07062	44.0
71.04994	3.8
71.08621	11.3
71.81732	2.4
72.08952	5.5
79.05492	4.0
81.07031	6.7
83.08611	5.9
85.10165	9.7
86.10492	2.1
89.06020	24.3
90.06364	3.6
91.05444	5.1
93.06456	2.9
93.07011	11.9
95.04956	2.7
95.08593	12.0
97.10157	4.6
98.43443	2.1
99.11714	2.2
103.64225	2.0
105.03371	6.9
105.07040	12.2
106.91945	1.6
107.08566	11.8
109.06509	2.3
109.10123	2.9
119.08560	5.5
121.06487	5.3
121.10127	20.9
123.04420	1.9
123.11693	3.9
124.69510	1.8
125.09583	3.2
129.07011	3.5
131.08508	4.1
133.06483	3.6
133.08582	15.7
133.10107	6.2
134.08937	3.1
135.08040	5.9
135.11687	3.7
137.05962	2.7
145.10126	6.8
147.08067	5.9
147.11700	4.2
149.05986	5.0
151.03928	3.6
153.03094	1.9
155.08521	3.3
159.11653	4.1
161.05981	8.3
163.03897	3.8
163.11089	1.7
165.05415	2.3
168.09404	2.2
169.05171	2.6
169.06432	10.8
171.11723	2.6
173.09618	9.6
173.13222	2.6
175.07547	13.0
175.11157	2.6
177.05482	10.3
177.11188	6.2
177.12715	2.1
179.03366	5.3
181.10027	2.7
183.11681	17.0
187.07364	1.8
189.05429	2.3
191.07079	4.3
195.02783	2.0
195.06511	6.8
195.11746	3.1
197.04559	2.4
197.13318	2.0
199.11089	3.1
201.12885	3.5
203.07001	68.6
203.08925	3.6
205.08524	3.0
206.01471	2.1
207.06502	3.0
207.11671	7.1
209.09665	4.5
211.11171	23.2
215.07152	2.8
216.34993	2.0
217.08574	6.1
219.06493	20.5
219.09966	10.3
221.08052	42.6
221.09991	3.9
223.09604	3.0
223.14748	3.3
225.12727	4.6
229.08459	2.9
229.12289	2.8
231.10022	2.7
235.11211	6.2
237.16434	2.7
247.09605	5.4
249.16431	3.4
251.14363	16.3
253.12190	4.0
257.07968	9.8
259.13181	11.0
262.13562	4.6
263.10617	25.6
263.13278	2.9
265.10477	3.3
267.17386	3.9
269.15231	2.2
271.13312	4.2
273.14694	3.4
275.12738	6.1
275.16199	3.0
277.14151	65.3
281.11694	7.1
281.15115	2.5
283.13220	2.8
283.17398	4.9
284.17807	5.1
290.13156	2.7
293.13861	15.1
295.16968	9.6
305.15332	46.7
321.17957	2.3
323.16403	73.2
327.19525	3.2
337.95834	1.9
339.19403	5.7
341.17426	72.4
342.30725	14.4
345.20547	7.2
355.19168	2.1
359.18497	28.8
361.21762	3.7
377.20364	2.4
377.24734	3.0
379.18527	3.5
379.22797	13.5
391.22787	3.6
395.25858	7.9
397.23718	100.0
398.24051	5.0
399.25467	2.4
415.24792	67.7
427.24860	3.1
429.27856	2.0
447.24298	4.2
447.29510	4.1
465.30161	6.1
466.38214	12.0
483.31311	42.2
483.37088	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	483.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03922	1.7
55.01847	1.3
55.05516	2.0
57.07056	1.2
67.05483	1.8
67.30807	0.4
69.07055	8.9
71.61185	0.9
77.03910	0.8
79.05481	0.8
81.03435	0.5
81.07043	3.2
83.01319	2.3
83.08598	1.5
91.05455	1.5
93.07027	5.7
95.04952	4.7
95.08621	2.3
97.10110	1.0
98.98454	0.7
99.00807	0.5
105.03373	44.5
105.06997	1.2
106.03680	0.5
107.08576	7.1
109.02844	0.9
109.06483	0.6
109.10117	1.7
119.08539	0.5
121.10125	1.2
123.00778	0.5
123.04379	1.0
123.11687	10.1
123.12519	0.8
123.37341	0.5
127.03918	0.5
135.11667	9.0
137.02325	2.9
137.05879	0.6
141.01814	2.7
149.09512	0.4
151.03877	4.2
153.05466	1.2
155.03387	1.7
157.09981	0.4
161.05940	0.5
165.04060	0.9
165.05450	15.2
167.03383	3.2
169.04956	0.9
171.65488	0.4
173.09663	0.4
175.07513	0.6
179.03365	69.9
180.03790	0.7
183.11633	0.8
193.04962	1.3
195.02893	1.2
197.04424	38.9
198.04787	0.5
203.03403	0.5
203.07066	1.7
205.50403	0.4
211.11069	0.5
217.05017	0.8
221.04485	0.5
221.08162	1.0
221.11674	5.2
230.20929	0.4
233.36876	0.4
235.05975	0.5
245.08081	5.5
251.14420	0.6
255.06418	0.8
257.08047	100.0
258.08426	2.1
263.10580	0.8
269.15222	0.8
271.09589	0.9
277.14285	1.6
284.64194	0.5
287.16357	6.4
295.09604	1.2
305.14862	0.8
305.17603	1.3
311.25729	7.6
313.14249	0.9
323.12784	1.1
323.16379	2.1
325.14276	10.9
341.17453	2.5
343.22586	2.6
351.15820	1.0
377.17337	1.4
379.18951	38.5
380.19464	0.7
391.18973	10.8
397.19769	1.3
397.24286	2.5
409.19980	1.4
415.24814	0.7
447.25244	1.3
500.79504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2736
Annotation	Strychnofoline
Peak:m/z	Relative Intensity
53.03926	1.2
55.01862	1.0
69.07064	5.3
71.00058	1.9
81.07034	2.4
81.36795	1.0
82.08096	0.8
83.01344	2.5
93.07044	1.8
95.04945	3.3
105.03375	39.8
107.08525	1.3
123.11687	12.2
135.11676	4.1
137.02301	3.1
141.01782	2.9
151.03868	3.8
155.03336	2.2
165.05447	10.2
167.03409	1.2
179.03368	67.6
180.03729	1.0
184.92555	1.1
197.04430	32.4
210.81194	1.0
214.42021	0.9
217.04941	1.3
221.11612	4.6
245.07970	2.4
257.08051	100.0
259.07968	0.8
287.16440	5.8
305.17487	1.6
315.51788	0.9
325.14319	15.2
343.22699	1.5
379.18970	24.8
391.18973	6.8
397.19946	7.2
409.20126	2.3
447.25369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02123	0.7
51.57858	0.8
53.03937	1.9
65.01930	0.8
67.05466	1.0
69.07061	10.7
70.12131	3.2
70.12549	2.0
74.89494	0.8
77.03943	0.8
79.05512	1.2
81.07046	1.4
83.01341	1.3
93.07018	4.1
95.04955	3.7
98.21376	1.2
105.03375	36.5
107.07922	0.9
107.08554	3.9
109.10157	3.3
111.71945	0.8
121.06506	1.3
123.04455	1.0
135.11662	5.0
137.02316	1.9
140.88928	0.8
141.01787	1.2
151.03912	2.2
153.05455	2.1
161.06020	1.1
165.05492	3.1
167.03424	2.6
177.01971	0.9
179.03369	27.8
179.06912	4.2
183.78470	0.8
189.05481	0.9
191.03380	1.0
193.04944	17.7
197.04433	11.2
203.06918	1.5
211.05956	2.4
217.04909	12.1
219.06557	1.1
231.10121	2.5
235.05865	1.9
245.08087	8.8
257.08047	27.7
259.13464	0.9
271.09628	14.4
281.07825	1.0
287.16373	16.1
295.09637	20.2
299.12845	2.0
301.14395	2.2
305.17300	1.2
309.11292	1.0
313.13962	0.9
323.12778	12.8
323.16263	1.6
343.22394	1.4
377.17294	1.1
379.18982	100.0
380.19354	1.6
391.19025	8.9
394.35880	1.0
395.18677	1.2
397.20044	4.3
409.20053	2.4
483.27271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40374	0.6
53.03920	1.7
53.79663	0.5
54.56956	0.6
55.05512	1.0
57.57460	0.5
65.61031	0.5
67.05481	1.9
69.03413	2.0
69.07058	10.6
71.04952	0.6
77.03896	1.0
79.05470	1.1
81.07047	3.3
83.01329	1.6
91.05476	1.5
93.07037	5.8
95.04951	5.1
95.08588	2.0
98.21407	1.0
105.03379	51.3
105.06993	0.6
107.08582	4.3
109.10161	3.9
114.52729	0.5
119.08549	0.8
121.06544	1.2
123.04414	1.0
123.11697	1.0
135.11673	4.8
137.02312	2.2
141.01813	1.5
147.04431	0.6
151.03893	3.2
153.05440	1.4
153.12656	0.7
155.03380	1.2
165.05450	3.7
167.03387	2.8
179.03375	33.4
179.06868	3.1
189.05444	0.9
191.03247	0.6
193.04942	27.5
197.04443	19.5
203.06882	0.8
207.06502	1.3
211.05984	3.7
217.04886	3.8
219.06435	0.7
221.08148	0.7
229.04919	0.9
231.10248	1.2
233.07918	0.6
235.06065	1.4
245.08041	11.8
257.08047	34.8
258.08279	1.1
259.13416	0.6
271.09616	18.8
285.11243	0.8
287.16400	8.8
295.09555	11.6
297.11142	0.8
299.12802	1.2
301.14246	2.1
305.17426	4.4
309.11188	1.4
319.15668	0.6
323.12729	17.0
325.14279	1.0
343.15219	1.5
343.22437	0.7
377.17325	0.7
379.18991	33.8
380.19556	1.1
391.19022	7.4
395.18420	1.5
397.20059	100.0
398.20496	2.5
409.20209	3.1
483.27011	2.0
499.57086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78561	0.5
53.03934	1.8
55.01867	1.3
55.05496	1.9
57.07066	0.8
66.64983	0.5
67.05486	1.3
68.99771	0.5
69.07061	9.0
69.58493	1.4
69.58920	3.1
71.08610	0.6
79.05473	1.5
81.03410	0.7
81.07056	3.1
83.01342	2.6
83.08609	1.3
88.47548	0.5
91.05463	1.3
93.07039	5.7
95.04959	4.7
95.08585	1.9
97.10165	1.3
98.20614	0.9
98.98470	0.5
105.03379	46.9
105.07015	1.0
106.42017	0.4
107.07921	0.7
107.08582	7.5
109.02860	0.8
109.06500	0.6
109.09515	0.4
109.10130	2.4
109.67299	0.5
113.05968	0.6
119.08559	0.7
121.10106	0.7
123.04450	0.7
123.11689	10.5
127.03909	0.5
135.11685	10.0
137.02370	3.1
141.01808	3.3
151.03879	4.4
153.05420	1.0
155.03368	2.1
163.07574	1.1
165.05447	15.1
167.03397	2.9
169.04889	0.8
179.03377	71.1
180.03717	0.8
183.11806	0.6
184.35313	0.5
193.04901	0.7
195.02817	1.7
197.04433	38.3
203.07028	1.6
217.04993	0.8
219.10062	0.6
221.08174	0.5
221.11662	5.4
231.09978	0.7
235.05899	0.6
245.08067	5.2
251.14297	0.6
255.06297	0.8
257.08057	100.0
258.08420	0.7
263.10797	0.5
269.15271	0.6
271.09583	1.1
277.14282	1.8
281.08026	0.6
287.16455	6.1
295.09512	1.4
305.17844	0.9
311.22470	0.7
311.25778	7.9
313.14340	1.3
323.12833	1.0
323.16412	1.5
325.14279	10.4
341.17331	1.5
343.22577	2.8
351.15707	0.7
377.17328	1.2
379.18982	39.1
380.19501	0.6
391.18991	9.4
397.19760	1.5
397.24432	2.5
409.19995	1.3
415.24756	1.2
447.25180	1.3
482.63974	0.5
483.27982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	1.2
69.07043	1.9
69.63930	2.8
69.64359	3.6
71.08614	0.9
80.02373	1.6
81.07029	1.3
88.21059	0.7
89.06020	17.4
90.06353	2.2
93.07021	1.1
101.12835	0.7
105.03374	1.1
117.48063	0.7
133.08592	9.0
134.08913	1.9
135.11658	1.0
141.40570	0.7
165.05426	2.1
172.23500	0.7
175.07474	0.7
177.11217	2.7
195.02922	1.2
197.04495	1.2
199.07494	0.9
217.08679	1.5
219.06520	5.1
221.11670	1.7
239.14882	1.2
245.08232	0.8
257.08038	2.2
271.09424	2.7
275.12769	2.5
283.17435	8.7
284.17850	5.6
287.16400	0.8
291.15860	1.0
293.13864	1.0
313.14175	1.2
330.14383	1.3
339.19205	1.0
341.17691	1.2
345.13007	3.7
355.15125	4.0
357.13031	7.2
357.20361	1.4
358.13773	2.2
379.18704	1.0
385.16467	1.1
397.19760	2.7
397.24170	1.0
399.17700	3.3
413.19351	2.3
414.20050	8.1
415.20731	8.0
447.25131	3.5
465.26056	4.6
483.27127	100.0
484.27341	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	483.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01850	1.7
55.05503	3.1
57.03419	4.5
57.68401	1.0
61.02924	1.2
67.05489	4.4
69.03422	2.4
69.07062	16.0
69.22013	0.8
69.86401	7.2
70.06576	4.8
71.04964	1.8
71.06895	0.9
71.08617	1.6
71.66647	1.0
79.05482	11.1
80.77497	1.2
80.81777	1.1
81.07043	4.6
83.04993	1.9
85.02886	3.2
85.06507	1.6
89.03916	1.4
91.05457	1.8
91.42831	1.0
93.03355	1.0
95.04974	2.4
97.06518	57.5
98.21433	2.2
105.07011	1.2
107.04919	1.4
107.08558	1.2
110.06115	1.3
111.08080	3.7
112.08868	1.1
115.05470	1.1
117.03348	2.0
120.32412	1.0
121.06519	1.1
121.10105	1.8
123.04402	3.8
123.11693	1.2
127.03938	1.2
129.06931	1.0
129.09109	2.7
131.08571	1.5
133.02840	3.2
135.04410	7.1
139.03867	1.3
145.02834	4.5
147.04405	3.3
151.03784	1.5
154.08643	1.7
159.04390	5.6
161.02327	21.1
163.03885	37.5
169.05011	1.8
173.02321	66.5
173.15094	1.1
177.05479	4.5
178.05829	1.7
184.07344	1.0
185.05975	3.9
187.03923	1.4
191.03369	8.7
197.06007	1.6
199.03885	1.8
199.07695	1.2
213.09212	1.2
214.58049	1.0
215.07001	100.0
216.07303	1.5
223.07526	1.4
224.66495	1.1
233.07953	4.9
241.08575	14.6
247.09659	1.3
259.09631	35.0
271.14182	1.2
273.11166	29.8
285.17004	1.5
286.17392	5.5
291.12231	84.8
311.90982	1.4
317.08395	1.2
321.09821	1.3
483.18423	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63740	1.0
55.70842	1.0
57.07059	1.5
69.07052	2.6
70.83776	2.1
70.84132	2.8
77.83331	1.0
89.06027	1.9
91.05469	1.3
93.07035	2.8
105.07028	1.9
107.08566	2.4
119.08553	1.9
121.10123	11.3
133.08475	1.1
135.11649	3.5
149.05824	1.2
184.90427	1.0
203.07085	1.6
211.11160	1.3
217.08574	1.8
219.19279	0.9
229.08524	1.1
231.10236	1.0
233.07793	2.0
245.07864	1.5
251.50230	1.1
257.07770	2.2
261.07233	1.8
275.13025	1.0
283.13275	2.0
285.14700	1.4
301.14081	1.7
305.15009	2.0
313.14175	1.2
323.16425	3.5
325.14133	1.3
327.15689	2.5
329.13800	1.5
331.15192	3.8
339.19397	3.5
341.17453	9.5
345.16650	13.2
363.15775	1.5
378.18246	1.3
379.18719	9.7
379.22650	1.4
397.19302	1.4
397.23856	2.7
415.20193	1.3
419.25616	1.7
429.24057	5.0
447.25037	76.4
448.25269	2.4
465.26074	100.0
466.26181	2.0
483.27121	29.9
506.28448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01844	3.3
55.05498	2.7
57.03431	3.3
57.68266	1.1
58.36093	1.0
59.52510	1.0
61.02900	1.4
67.05489	3.7
69.03407	2.5
69.07057	23.1
70.06576	10.4
70.94956	1.1
71.04979	2.9
71.06926	2.3
71.79091	1.0
71.87610	1.0
79.05486	16.6
81.03385	1.9
81.07036	4.6
83.04967	2.3
85.02886	4.2
85.06525	1.8
89.03902	1.3
91.05460	3.8
93.07021	1.9
95.04935	2.5
95.08603	1.4
97.06519	42.2
105.07030	1.8
107.04935	2.1
107.08583	1.7
108.47858	1.0
109.10120	1.6
111.04453	1.9
111.08049	6.2
112.08877	2.0
115.05441	1.2
117.03366	3.2
119.08572	1.6
121.10168	1.8
123.04425	5.4
129.09105	3.5
131.04889	1.2
131.08508	1.1
132.72433	1.0
133.02820	4.6
133.10109	2.2
135.04419	5.0
137.05957	1.6
139.03909	5.1
145.02832	4.3
145.06448	1.1
147.04373	3.9
149.06020	1.2
151.03871	2.3
157.04878	1.6
157.06496	1.7
159.04424	3.3
161.02347	7.8
161.05969	2.1
161.09586	3.1
163.03879	34.0
165.05438	4.3
165.12500	1.0
167.03416	1.4
167.06998	1.1
167.08504	1.2
169.04971	10.6
173.02321	68.4
174.06802	1.3
175.03981	1.0
175.07495	1.8
177.05458	11.0
178.05815	2.1
179.03369	1.8
179.07092	1.0
183.02887	2.8
185.05965	3.2
187.03935	1.8
187.07559	2.2
189.05338	1.5
189.09048	6.1
191.03377	8.6
191.07025	3.9
193.04890	2.6
193.08533	1.3
195.08060	3.5
197.05989	1.3
197.07942	1.2
199.03897	1.6
201.05602	1.4
203.07088	1.9
205.04967	1.7
206.05807	2.1
207.06566	2.2
207.10094	6.6
209.08037	2.2
213.05377	1.8
213.09134	2.9
215.07007	69.4
216.07350	1.2
217.08513	2.6
219.06563	3.1
220.07303	7.9
223.07553	2.4
223.09509	1.5
230.02057	4.8
233.08066	4.7
235.09621	98.8
236.09972	2.0
241.08577	35.3
245.04388	16.7
247.09666	2.3
253.10657	5.3
259.09619	66.0
260.03183	1.9
260.10059	1.6
265.10742	1.8
273.04028	7.8
273.11172	100.0
274.04514	2.7
274.11426	2.1
275.05466	2.0
287.05508	7.1
291.12335	6.7
303.05127	2.5
303.15970	4.3
317.10309	1.7
419.32776	1.1
453.11835	1.5
465.11710	6.3
483.12488	11.5
483.22009	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	483.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	0.3
68.99751	0.1
69.03381	0.3
69.07011	0.3
70.06535	0.3
70.51043	0.3
72.65079	0.1
73.02855	0.3
79.05422	0.1
81.03393	0.2
81.07020	0.2
85.02840	0.4
93.07004	0.1
95.04942	0.1
97.02784	0.1
97.06470	0.1
123.04368	0.3
123.11646	0.1
124.11979	0.1
127.03816	0.2
139.03889	0.2
147.04237	0.1
152.11440	0.1
163.03854	0.1
177.05424	0.2
178.02458	0.1
179.03322	0.5
193.04944	0.2
205.04929	6.0
206.05710	12.9
207.06335	0.4
220.07333	0.3
235.09613	100.0
236.09943	1.1
253.10587	0.1
277.10730	0.1
301.84546	0.1
397.14786	1.4
465.13687	0.2
483.14963	3.9
483.21603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
54.71307	0.5
57.03405	0.8
57.07032	0.7
61.02885	0.7
61.08741	0.6
68.99736	0.9
69.03400	1.0
69.07019	1.1
70.06549	1.3
70.30032	3.1
73.02866	0.5
79.01814	1.1
79.05449	1.4
81.03358	1.5
81.07009	1.1
85.02882	2.7
85.03277	0.5
85.06501	0.7
86.81498	0.5
87.00779	1.0
91.05448	0.9
94.06548	0.6
95.04915	0.8
96.08086	0.7
97.06491	3.2
103.03883	1.8
105.06962	0.6
108.08041	0.6
109.02798	1.0
109.06456	0.8
119.04870	0.6
123.04377	1.0
129.01801	1.4
135.04333	1.1
138.09099	1.1
139.03831	0.7
147.02823	0.6
147.04315	3.6
149.05898	0.5
153.01709	0.7
154.08606	0.7
157.69138	0.6
161.02271	1.0
161.05888	0.6
163.03883	4.8
165.01799	2.0
165.05388	2.1
166.08612	1.8
173.02278	2.2
177.01746	0.8
177.05429	1.0
183.02826	1.3
189.05406	1.3
189.87895	0.5
191.03326	0.9
192.04004	1.7
193.04930	1.4
195.02847	0.8
201.05453	0.6
204.04085	2.4
205.04883	9.4
206.05713	17.1
207.06322	0.9
207.10057	1.1
215.06969	3.5
216.04108	2.4
217.04874	4.3
218.05649	1.2
219.06454	1.3
219.10114	0.6
223.09624	0.8
229.04933	1.6
230.05630	1.6
231.06425	1.4
231.10120	2.2
234.05157	3.2
235.06017	8.6
235.09567	5.7
244.07256	1.2
245.08012	1.4
245.11656	0.9
246.05156	0.9
247.09618	55.7
248.10361	6.1
249.10951	0.8
257.04391	1.1
259.06198	1.4
259.09625	33.1
261.03928	0.9
261.11151	9.5
269.11807	0.7
271.09616	1.9
272.10333	2.4
273.11185	3.9
275.09021	4.2
277.10657	100.0
278.11032	1.9
286.20605	0.6
287.09158	1.5
287.12714	7.5
289.10724	3.4
291.12158	4.5
297.11078	2.7
301.10635	20.0
302.04401	0.7
303.04868	1.9
303.08524	1.2
307.11780	3.1
313.10635	0.6
315.12177	2.2
319.08038	0.6
321.09717	0.6
325.10602	4.0
327.12192	0.7
331.11636	1.9
343.11722	10.2
361.12799	5.5
379.13879	2.1
397.14874	2.3
403.13831	6.5
409.08777	0.7
421.14807	4.8
429.11807	1.0
439.15921	2.3
447.12698	8.0
453.12076	0.7
465.13898	18.4
466.13904	0.8
481.51657	0.5
483.09439	1.9
483.14938	36.3
483.21631	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	483.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32307	1.0
55.90971	0.7
57.07048	0.9
61.02900	1.4
68.99773	1.0
70.33715	3.9
72.08964	1.0
80.71990	0.9
81.03401	1.1
81.74635	0.8
85.02884	2.9
86.21814	0.8
87.00815	1.1
98.21609	0.8
103.03918	1.7
103.04538	0.9
109.02838	1.3
119.05007	0.9
123.04415	1.2
125.13098	0.9
135.04337	1.0
147.04379	3.0
163.03874	2.9
165.01869	2.4
177.05417	3.0
183.02846	0.9
189.05441	1.1
205.04913	1.6
206.05713	1.9
207.10234	1.3
217.04944	4.3
218.05713	5.7
219.06473	7.5
220.07277	13.6
223.09673	1.1
229.04961	1.4
230.05721	2.4
231.06676	1.3
231.09927	1.7
232.07268	1.2
235.09625	6.0
244.07243	1.7
247.06015	5.0
247.09630	72.5
248.06807	8.4
248.10358	7.6
257.08041	1.5
258.08884	3.8
259.06064	1.8
259.09631	29.0
260.06558	1.0
261.07336	1.2
261.11179	8.6
269.11942	1.0
271.09613	1.8
272.10593	1.0
273.11224	4.3
275.09082	4.1
277.10669	100.0
278.11026	2.2
285.11179	2.1
286.17316	0.9
287.09341	1.7
287.12662	10.9
289.10651	3.1
297.11084	2.1
301.10748	16.2
307.11752	2.4
313.10632	1.5
315.12164	3.7
325.10608	3.7
331.11746	5.8
343.11713	12.8
359.56772	1.0
361.12781	10.5
379.13849	3.4
397.15167	1.9
403.13892	5.5
421.14850	6.1
425.66922	1.0
439.16000	3.6
447.12851	6.5
465.13916	21.2
483.14890	53.6
484.14990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77804	0.2
55.05483	0.3
57.83428	0.2
65.84138	0.2
69.03410	0.4
69.07046	0.5
70.06561	0.4
70.95290	0.7
71.87957	0.2
79.05479	0.5
81.03382	0.4
81.07041	0.6
83.13834	0.2
85.02865	0.6
85.15909	0.2
91.05463	0.6
93.07027	0.3
95.04926	0.4
97.06488	0.5
100.08424	0.2
103.05437	0.6
105.07024	0.4
119.04976	0.3
119.08557	0.2
121.06518	0.3
121.10162	0.3
123.11683	0.2
130.04095	0.4
131.04866	0.4
134.03520	0.3
137.05943	0.3
139.03857	0.5
145.06517	0.3
146.03636	0.3
147.04372	0.4
147.11644	0.4
148.11980	0.3
163.03908	0.7
165.12703	0.2
166.13037	0.3
169.04922	1.0
173.02309	1.3
175.03857	0.5
175.07584	0.4
176.04688	0.3
177.05432	0.7
179.03383	0.3
187.03877	0.5
187.07658	0.2
189.01883	0.3
191.07062	0.6
202.02570	1.0
203.03447	0.3
204.04111	0.9
205.04919	6.4
205.08388	0.3
206.05714	13.9
207.06433	0.5
207.10291	0.5
215.03427	0.3
215.07024	1.1
217.04866	0.3
220.07251	0.3
228.04082	0.2
230.02074	3.6
230.05739	0.8
231.02785	0.8
232.03687	0.5
235.09610	100.0
236.09933	0.8
241.08574	0.7
245.04410	16.7
246.05060	0.3
247.05865	0.5
247.09740	0.3
257.04230	0.2
258.05209	0.8
259.06079	0.3
259.09662	0.6
260.03107	3.1
267.15845	0.4
272.03079	0.4
273.03903	6.4
273.11252	1.7
274.04642	3.0
275.05475	8.9
277.00461	0.3
277.10678	0.3
285.16882	0.8
286.04721	0.3
286.17261	0.9
287.05383	0.5
288.02695	0.4
290.04199	0.8
301.07001	0.3
303.04959	7.0
304.05490	0.3
305.06354	0.8
317.08499	1.7
366.30798	0.3
397.14929	1.2
453.11899	1.1
465.11725	7.0
483.12866	18.0
483.18253	3.0
484.13312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
66.52033	0.3
67.05493	0.5
69.03400	0.8
70.06579	0.7
71.26841	1.1
72.19668	0.3
79.05455	1.0
81.03389	0.4
81.07028	1.2
83.04944	0.4
83.75841	0.4
84.53202	0.4
85.02893	0.8
89.03921	0.5
91.05465	1.6
93.07036	0.9
95.04961	0.8
97.06495	1.2
99.08039	0.4
102.04636	0.6
103.05445	2.1
105.07004	0.9
107.08549	0.6
115.05459	0.5
117.07003	0.6
118.04152	1.4
119.04917	0.7
119.08537	0.4
121.06480	1.4
123.04362	0.5
130.04121	0.6
131.04897	1.9
132.05614	0.4
133.06517	0.4
137.05931	0.5
139.03882	0.4
144.34850	0.4
146.03592	0.8
146.43492	0.5
147.04390	0.6
147.11670	0.7
148.05199	0.6
148.12039	0.7
149.05923	1.2
151.03865	0.4
161.05945	0.6
162.16721	0.4
163.03831	0.8
165.12738	0.5
167.07002	0.7
169.04895	1.3
173.02298	2.1
175.03915	0.9
175.07512	0.5
176.04660	1.9
177.05435	1.6
179.03317	0.9
187.03838	1.3
191.06999	2.8
202.02608	4.8
203.03279	0.7
204.04094	1.1
205.04895	6.5
205.08571	1.4
206.05719	12.4
207.06361	0.7
207.10060	0.9
215.03384	1.3
215.06924	2.1
229.99721	0.7
230.02066	13.7
230.05447	2.6
231.02846	3.7
232.03642	1.3
235.09610	100.0
236.09923	2.3
241.04922	0.6
241.08565	0.5
243.02914	0.9
244.03645	1.0
245.04419	73.6
246.04811	3.0
247.06007	0.7
256.03622	0.6
258.05255	1.4
259.02338	1.6
259.06070	0.5
259.09613	2.0
260.03143	9.7
267.16150	0.5
268.16223	1.3
271.05945	0.8
273.03900	30.2
273.11041	2.3
274.04666	14.9
274.07736	0.6
275.05450	21.5
276.05847	0.8
277.10657	0.7
285.03745	0.8
285.16864	0.7
286.17316	2.0
287.05585	0.8
288.02637	0.6
290.04071	1.1
303.04965	10.9
304.05457	0.6
305.06497	1.2
317.08417	1.9
321.13287	0.4
397.14990	1.1
435.06683	0.6
453.11707	4.1
465.11731	25.6
466.12033	1.8
483.12741	64.6
483.18045	3.6
484.13083	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	483.128
Annotation	Silydianin
Peak:m/z	Relative Intensity
57.03405	0.7
67.05485	0.6
69.07046	0.8
70.06567	1.2
71.82307	0.8
79.05479	1.2
81.07023	1.7
83.01302	0.7
85.02875	0.9
86.12120	0.5
91.05458	2.4
93.07022	0.8
94.91181	0.6
95.04962	0.8
95.08569	0.7
97.06511	2.1
102.04663	0.6
103.05441	1.5
105.07027	1.5
105.98099	0.5
107.04962	0.8
109.02851	0.8
109.06533	0.7
115.03912	0.6
118.04151	1.9
119.04887	0.6
119.08544	0.8
121.02866	0.5
121.06482	1.7
121.10133	0.7
121.18304	0.5
123.04389	0.8
130.04109	1.2
131.04916	2.5
133.02766	0.5
139.03766	0.6
146.03586	0.8
147.04393	1.3
147.11650	1.4
148.05087	0.6
148.12032	0.7
149.05962	1.4
159.04333	0.6
161.02286	0.7
163.03841	1.7
167.07005	0.7
169.04961	1.6
172.24364	0.6
173.02319	3.2
175.03864	1.4
175.14850	0.6
176.04688	2.7
177.05438	2.1
187.03891	2.2
187.07417	0.6
191.07033	2.8
202.02554	5.9
203.03329	0.9
204.04199	1.0
205.04935	6.2
205.08556	1.4
206.05717	15.0
207.10086	1.0
215.03424	1.2
215.06967	3.3
217.04918	1.1
230.02090	19.4
230.05583	4.2
231.02824	4.4
232.03647	1.3
235.09618	100.0
236.09933	1.3
241.08727	1.0
243.02875	1.0
244.03615	0.8
245.04420	90.2
246.04805	1.6
247.05942	1.0
257.04306	0.5
258.05289	2.2
259.02408	1.7
259.06235	0.8
259.09656	3.9
260.03131	13.1
268.16205	1.1
271.06052	1.5
272.03201	0.8
273.03906	36.6
273.11029	4.7
274.04700	15.6
275.05469	27.1
285.04031	0.7
285.16895	1.3
286.04752	1.0
286.17212	2.1
287.05530	0.9
290.04291	0.7
301.07007	0.8
303.04956	12.0
303.12122	0.7
305.06445	1.3
317.08362	2.1
341.50790	0.6
397.14929	1.4
453.11853	5.6
465.11771	31.5
466.12064	1.0
483.12753	75.3
484.13165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.128
Annotation	Hyperielliptone HC
Peak:m/z	Relative Intensity
53.28770	0.4
55.05479	0.5
61.63389	0.4
66.71006	0.4
67.05467	1.1
69.07039	0.9
71.04986	0.6
71.16504	0.5
71.81053	0.9
74.29784	0.5
79.05458	1.0
81.07028	0.9
91.05461	2.1
93.07007	1.5
95.04939	1.2
95.08543	1.1
97.06499	1.1
103.05466	2.7
105.03346	1.2
105.06990	1.5
107.04958	0.7
107.08546	0.6
109.10123	0.8
118.04121	1.4
119.04902	0.8
121.06479	2.4
121.10094	0.7
123.04363	0.9
130.04111	1.6
131.04890	3.8
132.05676	1.0
133.06435	0.5
139.03885	2.5
140.04642	1.3
145.06447	0.7
146.03566	0.7
146.88972	0.5
147.00711	0.6
147.04341	1.1
148.05124	0.8
149.02243	1.2
149.05952	1.7
149.12991	0.5
151.03790	0.6
160.05222	0.6
161.05969	2.4
163.03923	2.5
165.05411	0.5
166.06325	0.5
167.07005	2.3
173.05928	0.6
176.04636	2.4
177.05466	2.1
178.06161	0.6
179.74426	0.4
180.07753	0.9
188.58774	0.5
191.07043	4.4
192.07733	1.5
193.04979	1.3
193.08594	0.7
201.05417	0.9
202.02524	2.7
215.03304	0.6
217.04930	2.1
218.05640	0.6
219.10049	0.6
229.04973	1.1
230.02167	2.5
230.05667	4.8
231.37793	0.4
232.03668	1.5
237.07503	0.5
245.04425	100.0
246.05125	3.0
257.04431	0.8
258.05161	1.2
259.05933	1.2
260.03210	1.1
271.05911	1.1
273.03894	29.6
274.04663	12.5
275.05463	17.5
285.03964	0.8
303.15964	0.6
329.06519	3.8
357.16983	0.5
433.09323	0.5
453.11639	4.0
465.11792	26.8
466.11661	0.6
483.12820	64.1
484.13184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.7
57.24123	0.3
69.84778	2.0
71.82241	0.3
71.95259	0.3
80.07933	0.3
84.30322	0.3
98.96918	0.5
98.97564	10.5
99.08575	0.3
116.98605	11.7
132.96559	0.5
134.99643	11.4
138.95538	0.4
150.97725	0.3
153.00676	2.3
156.96661	0.5
158.01256	0.5
173.01103	0.3
174.97618	3.1
190.95346	1.3
192.98660	4.1
196.94609	0.5
198.97722	0.8
208.96584	1.3
210.99771	0.3
214.95567	1.1
216.98708	2.2
219.01891	0.3
232.96648	10.0
234.99767	6.5
238.95598	1.2
240.98839	0.9
250.97729	14.0
251.97926	0.5
252.98315	0.4
253.00975	0.7
256.93906	0.6
256.96619	13.3
257.96829	0.6
258.01498	0.5
258.99814	9.2
259.99866	1.1
260.99902	0.5
261.03030	1.2
262.03088	0.4
268.98703	0.3
273.99374	0.3
274.97681	63.7
275.97873	3.4
276.97849	1.1
277.00821	14.4
278.00909	1.9
279.00717	1.0
280.96503	2.4
282.01434	0.3
282.99960	5.2
284.00003	0.8
284.99789	0.4
289.96661	0.5
290.95517	0.8
292.98669	19.6
293.98981	1.0
297.99323	1.8
298.97702	48.8
299.97836	2.0
300.02362	0.7
300.98279	0.5
301.01035	10.5
302.01105	1.5
303.00748	0.8
307.97714	0.4
308.96539	0.4
314.95599	0.6
316.00217	0.8
316.98770	100.0
317.98917	4.6
318.98825	1.2
319.02121	0.5
324.02570	0.5
332.96646	1.8
334.99939	3.3
335.99820	0.4
338.95959	0.4
340.00345	5.1
340.98706	1.7
356.97055	0.7
357.72177	0.3
358.99911	5.3
374.97849	3.2
377.01123	0.4
380.96750	1.1
382.01453	0.4
382.99832	0.4
392.98904	0.4
398.97824	3.4
399.83209	0.3
399.97693	0.3
401.01001	2.7
402.01025	0.7
403.00696	0.4
416.98865	13.0
417.98795	1.4
418.97986	0.4
421.97229	0.3
422.97675	5.7
423.98132	0.4
425.01263	1.0
432.96347	0.3
434.99612	1.0
440.00507	0.6
440.98877	53.1
441.99094	3.6
443.02496	2.2
444.02451	0.8
445.02069	0.5
456.96536	0.5
458.01437	0.6
458.99927	85.4
459.99948	5.5
461.00027	1.1
473.01303	0.4
477.00974	1.4
482.01553	9.1
483.00192	3.7
501.00836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05504	4.5
57.07060	3.7
58.06590	100.0
59.06117	12.9
59.06905	0.9
67.05492	10.7
69.07053	15.7
71.08598	1.2
71.79572	1.1
79.05470	8.3
81.07043	68.3
82.07358	1.3
83.08620	4.4
84.08112	3.9
89.06018	12.4
91.05450	3.6
93.07028	14.3
93.74306	1.1
94.06531	1.5
95.04935	2.2
95.08591	30.7
96.08105	1.1
97.10143	2.6
98.09760	0.9
105.07019	4.7
107.08575	10.3
108.08126	1.4
109.06514	1.6
109.10137	20.7
111.11702	2.0
119.08549	5.3
121.06492	2.1
121.10133	11.7
122.09634	1.2
123.11678	10.9
124.12095	1.0
126.09176	1.6
131.08492	1.3
133.08559	5.9
133.10139	4.0
134.70039	0.8
135.08000	2.0
135.11668	9.7
137.05956	2.5
137.13229	8.5
139.07538	1.4
141.05432	7.0
143.08572	0.9
145.10089	1.9
147.11659	3.3
149.05884	1.6
149.09666	0.9
149.13243	11.4
151.07513	3.5
153.05489	0.8
159.11681	2.5
161.13243	0.9
163.07475	1.5
163.14796	3.4
165.05489	2.5
165.09109	2.4
167.07013	53.3
168.07338	1.0
175.07491	1.6
175.14853	1.5
177.05495	1.1
177.09143	1.2
177.11227	3.3
177.16362	3.0
179.03448	0.9
179.17970	1.0
181.04959	1.0
181.08554	2.4
189.09097	1.5
189.16364	1.8
191.06979	2.5
191.17883	1.9
193.08604	2.0
194.15416	1.2
197.04367	1.5
201.09109	1.3
203.07106	1.1
205.08571	6.0
205.19481	2.2
206.08990	1.5
207.10136	6.7
215.10687	3.1
216.66383	0.9
217.08569	3.5
218.08879	2.3
219.10178	3.4
220.10382	1.5
221.08273	0.8
221.11687	1.9
223.09627	3.2
224.09987	1.6
229.12012	1.0
231.10071	1.9
233.11636	4.8
235.09676	1.4
245.11694	1.3
247.13194	1.4
252.85492	0.8
257.08072	1.9
259.24179	2.6
273.15244	1.2
275.16348	5.6
283.17410	10.2
287.16376	1.4
289.17917	1.5
291.16092	1.3
292.16180	1.7
301.17935	1.9
316.26205	1.5
328.99759	0.9
341.21194	1.3
342.21335	2.0
343.22543	1.1
357.20453	2.8
358.20847	6.8
407.29538	1.3
425.30634	7.2
482.32532	18.5
483.32773	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	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05502	1.7
55.06952	0.8
57.03152	1.7
57.03425	21.0
59.05000	4.5
60.04512	2.9
61.02919	1.6
67.05479	1.5
69.03420	70.8
69.07060	8.6
70.06579	2.1
70.19427	3.8
73.02911	2.0
73.57857	0.8
75.04487	2.2
79.05479	1.6
81.03403	3.7
81.07033	3.6
83.08634	1.3
85.02894	48.3
87.04456	50.6
93.07022	3.4
95.04961	1.9
95.08597	3.7
97.02879	59.2
97.06506	2.4
98.21452	1.1
99.04411	1.1
103.03947	1.2
107.08566	1.9
109.02872	2.0
109.10149	3.4
111.08113	1.2
111.11707	5.1
115.03915	89.4
118.14491	0.8
119.08549	2.1
127.03888	6.2
133.04948	100.0
135.04463	0.9
135.11667	3.5
137.09648	1.2
139.03868	1.2
141.02849	0.8
144.06538	3.2
145.04965	7.6
147.11690	0.9
150.07582	9.3
151.03871	0.9
153.12740	13.8
162.07643	1.8
163.06001	1.8
165.05406	0.9
169.04994	3.0
171.11633	1.2
171.13783	25.7
175.06033	1.4
177.05473	0.9
177.12727	1.6
180.08681	2.8
181.82280	0.8
195.13737	1.2
200.33466	0.9
202.87280	0.9
205.06822	1.1
219.13846	1.3
223.05780	1.1
231.13844	1.3
237.14757	2.4
241.06915	1.9
249.14877	3.6
259.08167	3.8
264.14236	0.9
267.15833	4.3
277.09235	1.9
285.16907	2.9
294.11563	1.3
295.10208	2.5
303.18277	0.9
312.12787	1.2
320.12115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01855	1.3
55.05511	3.3
56.72956	0.4
57.03191	0.5
57.03431	4.7
59.96951	0.4
61.02916	0.6
67.05500	10.3
69.03404	2.0
69.07063	7.9
70.06562	1.1
70.71765	0.4
70.72103	1.3
71.04961	1.5
79.05479	5.7
81.07047	30.9
83.04958	2.5
83.08610	3.3
85.02897	4.5
85.06541	2.4
87.04461	0.8
91.03976	0.7
91.05470	8.8
93.07028	4.2
95.04949	0.7
95.08602	6.3
97.02886	2.4
97.06521	10.8
97.10115	0.6
99.08069	1.5
99.87280	0.4
105.07018	12.4
107.08580	4.6
109.02835	1.0
109.06522	2.3
109.10118	1.0
111.08080	0.7
113.06011	0.6
115.07558	0.7
119.08568	12.0
121.08256	0.5
121.10128	10.4
123.08037	1.6
123.11696	14.0
127.03892	0.7
127.07526	1.6
129.07021	0.5
129.09076	0.4
133.10118	1.9
135.04367	0.7
135.63138	0.5
137.09654	0.5
137.13245	1.2
145.04907	0.6
147.11671	38.2
157.10107	1.8
159.04381	0.8
160.47948	0.6
161.02354	3.3
163.03908	5.1
164.11505	0.5
165.12743	17.8
166.13142	0.5
173.02299	5.5
173.15036	0.5
175.11162	1.4
177.05507	1.0
180.08650	1.2
182.94681	0.5
183.13800	1.5
191.03362	1.2
193.12206	1.4
198.48170	0.5
215.07028	8.0
229.14340	6.8
241.08549	1.4
259.09714	2.7
267.15887	44.4
268.16299	0.9
273.11084	1.6
285.16937	100.0
286.17221	1.4
291.12231	9.8
482.21716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01866	0.6
55.05498	2.5
57.03424	3.7
57.07073	0.8
57.73177	0.5
61.02905	0.9
67.01842	0.5
67.05499	8.0
69.03410	1.9
69.07047	5.2
69.65129	5.4
70.06576	2.1
71.04980	1.2
79.05483	3.6
81.03394	0.8
81.07044	27.1
83.04980	2.3
83.08606	3.3
85.02901	6.4
85.06538	1.4
91.05468	6.6
93.07025	3.7
95.04954	1.3
95.08587	7.1
97.02860	2.3
97.06517	3.1
99.04491	0.7
99.08074	1.7
101.05986	0.6
105.07016	12.0
107.04927	1.8
107.08573	4.7
109.02869	0.7
109.06498	1.8
109.10136	2.2
119.08558	10.7
121.10114	8.2
121.30622	0.6
122.62096	0.6
123.08054	1.1
123.11692	13.7
127.03904	0.8
127.07530	1.3
129.07004	0.9
133.10103	1.4
135.04390	4.1
135.11700	0.7
137.13240	1.4
141.09084	0.6
145.04956	0.9
147.11664	32.1
148.12054	0.7
149.06018	0.9
153.05489	0.7
153.64665	0.6
157.10066	1.1
157.46075	0.6
163.03882	5.9
165.05411	0.6
165.12737	14.1
175.07487	1.5
175.11159	1.1
177.05505	1.5
180.08672	1.1
181.04929	2.9
182.24681	0.6
183.13744	1.5
187.07599	0.6
189.09161	0.7
193.12201	1.2
201.09085	0.8
205.04991	0.6
215.07187	0.7
221.08150	2.4
229.08582	1.1
229.14307	6.1
247.09663	1.3
257.15353	2.1
267.15875	28.8
268.16263	0.9
285.16956	100.0
286.17310	1.9
303.15942	3.0
481.80463	1.0
482.21396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05496	3.1
57.03423	3.5
61.02903	1.7
61.83913	0.9
67.05156	0.8
67.05495	10.7
67.77570	0.7
69.03402	1.1
69.07063	5.5
69.74435	4.1
69.74855	1.2
70.06584	5.6
71.04967	1.8
73.02881	0.9
79.05485	5.2
81.07046	31.9
83.04966	2.3
83.08591	3.1
85.02883	2.9
85.06519	2.4
91.05466	8.7
93.07032	5.6
95.04945	1.1
95.08589	6.6
97.02872	2.0
97.06506	2.7
99.08083	2.0
105.07020	16.9
107.08581	4.7
109.06507	2.4
109.10175	1.0
113.05987	1.0
119.08559	13.7
121.10131	10.5
123.08059	1.9
123.11687	15.9
123.97607	0.6
127.07561	2.1
133.10094	0.9
137.05943	0.9
137.13263	1.4
145.10262	0.7
146.47644	0.7
147.11667	37.1
152.07036	0.8
157.10149	1.0
165.12749	17.5
175.11182	2.0
177.05423	2.8
180.83389	0.7
183.13744	1.9
193.12175	1.3
198.04295	0.7
211.13220	1.0
229.14236	5.5
235.09402	1.0
267.15866	28.6
285.16928	100.0
286.17288	2.1
317.08426	2.3
447.22107	2.8
482.21753	3.7
483.18399	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	482.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01861	1.2
55.05501	4.1
56.92632	1.1
57.03422	3.7
61.02900	2.3
67.01853	4.0
67.05499	8.1
69.03413	12.1
69.07059	10.6
71.01323	0.9
71.04966	1.8
71.77814	1.2
79.05493	4.3
81.03411	5.0
81.06563	1.7
81.07043	38.1
83.08615	3.8
85.02891	43.5
87.04437	1.5
91.05452	2.9
92.05830	1.2
93.07022	3.0
94.67188	1.1
95.04985	1.3
95.08602	8.6
97.02883	13.0
97.06517	1.3
97.10166	2.7
99.04468	1.5
105.07027	3.7
107.04939	25.4
107.08591	2.9
108.08949	1.1
109.02875	3.7
109.06482	1.2
109.10139	24.9
111.11703	1.9
117.07040	1.5
119.08510	1.4
119.67802	1.1
121.06475	3.1
121.10118	8.9
123.04399	1.2
123.08048	1.1
123.11696	10.8
127.03887	6.0
131.04887	2.2
131.08528	2.6
133.06471	2.6
133.10141	1.9
134.10455	1.5
135.04396	100.0
135.08035	1.9
135.11670	2.9
137.05098	1.1
137.05939	6.1
139.03828	1.8
141.63397	1.0
143.08565	2.6
145.04950	4.3
145.06491	2.1
145.10054	1.6
147.04378	10.3
147.08018	1.5
149.05931	6.1
149.09515	1.1
151.07637	1.2
153.05440	14.3
155.08609	1.3
158.07288	2.4
159.04424	1.9
159.08031	4.0
161.05957	7.7
161.09612	2.2
161.80069	1.2
163.03877	98.3
163.07510	6.6
164.04218	1.2
171.08014	5.2
173.05891	6.3
173.09631	3.6
175.07526	35.1
177.05467	9.5
177.09047	5.4
180.08627	2.3
181.03333	2.6
181.04927	52.5
183.08026	1.5
185.09621	1.4
187.07547	11.4
187.11171	1.5
189.05449	2.2
189.09113	10.4
191.07065	2.6
193.04947	4.5
193.08699	2.2
194.66713	1.0
195.06459	2.0
197.09544	1.4
201.05417	3.0
201.09077	29.5
201.32582	1.1
203.07048	3.0
205.04947	11.1
207.06544	5.7
209.08052	3.1
215.06992	16.8
215.10713	3.9
215.82310	1.0
217.08598	3.7
219.06552	6.1
219.10129	1.2
221.08064	47.4
222.08443	1.4
229.08569	22.1
233.08020	9.9
235.09682	5.1
239.14043	1.6
243.10144	3.6
247.09613	13.9
255.97055	1.2
257.15323	45.0
277.09772	1.2
285.14795	60.5
286.15186	1.3
303.15869	44.8
304.16180	1.2
344.69650	1.3
465.11469	1.2
482.35773	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
59.04973	0.6
61.52416	0.5
67.05488	4.6
69.03415	28.2
69.07011	0.6
70.06547	4.3
71.01334	3.1
71.04976	4.4
75.71335	0.5
79.05465	1.3
81.03407	0.9
81.07018	0.7
83.04962	30.1
85.02888	3.6
85.06524	6.8
91.05458	0.7
93.07049	0.7
95.04954	10.2
97.02857	2.8
97.06528	1.0
99.04453	0.9
99.08074	2.1
101.05993	1.5
104.24516	0.6
105.06969	0.8
109.06477	2.7
113.05982	55.5
115.03906	8.5
121.06498	0.8
123.04413	3.1
127.03872	1.0
127.07529	20.2
139.03867	1.2
141.05428	15.0
155.39104	0.7
157.10205	0.6
159.06497	100.0
161.09529	1.0
189.05515	0.7
194.14584	0.6
194.90166	0.6
217.04904	0.8
221.11678	1.7
239.12723	10.6
257.13885	0.7
267.12115	0.9
285.13278	45.3
303.14252	6.2
331.31970	0.7
352.13730	0.9
499.19165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01853	3.0
56.96563	1.1
57.03434	1.1
61.02892	1.6
68.99753	1.3
69.03410	2.0
71.79874	1.4
72.08137	2.3
77.03935	1.1
81.03397	0.9
83.01344	1.3
89.03906	1.4
95.04945	2.1
99.73769	1.0
105.03370	1.1
107.04958	2.5
109.02863	2.7
111.04431	1.4
119.04916	4.6
121.02795	1.1
123.04408	100.0
124.04806	1.3
127.03899	1.2
130.08563	1.1
135.04413	5.7
137.02299	4.5
139.03888	9.4
141.01855	1.3
145.02846	1.4
147.04366	16.3
149.02301	4.5
149.05971	1.1
151.03880	6.6
163.03883	18.3
164.04256	1.6
165.01819	23.7
165.05435	4.5
175.03966	2.1
177.01811	9.8
177.05426	5.2
179.03362	11.4
183.02878	25.7
187.03865	2.4
189.05495	1.1
191.03357	9.0
193.01283	1.0
193.04974	1.1
195.02792	1.3
195.79662	0.9
197.00781	0.9
205.01288	5.6
205.04941	9.0
207.02898	7.0
215.03305	2.9
217.05008	1.4
219.02782	1.6
221.04401	4.1
223.02351	16.1
233.04420	15.2
235.02309	4.5
237.03975	1.6
249.03909	7.9
261.03894	10.9
267.04932	6.7
277.03415	8.7
279.04971	2.5
291.08661	1.3
295.04376	10.4
297.06012	16.5
307.04459	1.4
313.05490	81.9
314.05878	1.1
325.05609	5.4
359.07370	2.0
401.08411	1.5
411.06918	1.5
419.09390	1.6
429.08176	9.0
447.09164	19.8
465.10117	12.8
482.12494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05501	2.0
57.03415	1.1
57.07067	4.4
67.05473	1.9
69.03376	0.6
69.07063	12.6
71.04970	0.7
71.13713	1.1
79.05486	1.4
81.07046	4.5
82.65571	0.6
83.01330	1.1
91.05444	1.8
93.07027	6.7
95.08598	2.8
95.64067	0.6
98.66025	0.5
105.07016	2.4
107.08585	4.1
109.06474	0.9
109.10144	4.4
111.60532	0.5
117.07000	0.7
119.08557	1.9
121.06486	2.0
121.10104	1.7
123.08056	0.8
123.11691	5.4
129.06941	0.7
131.08551	1.6
133.10115	1.9
135.04459	1.3
135.08031	3.1
135.11664	4.2
137.09621	0.7
143.08560	1.3
145.06479	1.1
145.10139	0.7
147.08040	1.8
147.11658	0.8
149.05984	1.1
149.09593	3.0
151.03867	2.1
153.05490	0.7
155.08615	0.8
159.08002	1.0
159.11705	1.2
161.06023	1.4
161.09599	1.8
162.06731	0.9
163.03873	3.5
163.07503	2.4
165.05467	7.2
167.06996	1.0
167.08614	0.6
171.08015	1.0
173.05876	0.7
174.06793	1.0
175.03891	1.0
175.07516	3.7
175.11230	0.8
177.05457	8.9
177.09102	2.3
177.99272	0.6
181.04924	2.1
185.09689	0.7
187.07567	1.3
189.05457	1.7
189.09119	4.4
191.07013	1.7
197.04448	0.8
199.07393	1.0
201.05437	2.0
203.06993	2.1
203.10692	0.9
205.08580	17.6
207.10074	0.7
213.09114	1.9
217.08591	27.1
219.10126	10.3
221.11755	3.6
223.09627	16.3
227.10651	1.4
229.08554	11.3
229.12158	0.8
230.08948	0.8
231.10141	14.0
232.10510	0.7
233.11699	2.3
235.09622	9.4
237.11243	1.1
241.08624	3.1
241.12320	0.8
243.10185	2.1
245.11761	1.3
249.11166	3.7
255.10132	1.8
257.11670	2.5
267.13806	1.5
269.11786	0.9
271.13275	1.8
273.11313	1.5
273.14844	2.7
275.12650	0.7
281.11606	0.7
283.13272	6.7
283.16385	0.9
285.14832	21.1
286.15015	0.7
289.14258	1.3
291.15857	6.6
294.78720	0.7
297.14835	1.8
301.14328	2.7
303.15781	1.0
321.18015	0.8
330.37613	0.6
339.19492	13.3
341.21094	35.4
345.20605	2.3
355.22845	2.0
357.20563	100.0
358.20981	2.3
359.22162	0.7
395.20853	0.8
395.25882	1.3
411.25119	4.1
413.26907	9.9
425.26837	7.4
481.33057	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	481.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32588	2.3
55.01857	2.0
55.05475	2.3
57.03427	1.9
57.07066	6.9
60.51437	2.3
67.05498	4.4
69.07053	12.8
71.48263	5.1
76.60286	2.0
79.05477	3.6
81.07039	9.2
84.75152	2.0
91.05421	3.0
93.07016	7.1
95.08586	3.8
105.07015	5.8
107.08572	9.6
109.10126	5.0
119.08543	5.7
121.10108	4.7
123.11687	24.1
131.08479	4.4
132.71437	2.2
135.04408	6.8
135.08035	6.0
135.11684	15.4
143.08569	2.2
149.09641	4.8
151.03865	9.8
161.09554	6.0
163.03891	30.3
163.07491	2.5
165.05478	2.6
171.07925	2.9
175.03905	2.1
175.07553	11.4
177.05481	3.1
179.03438	2.5
181.04941	18.7
189.09105	11.6
191.07004	2.6
199.07544	5.2
203.06973	3.0
205.08592	8.3
207.10103	4.7
217.08582	90.7
219.08003	4.3
219.10133	90.6
223.09596	8.9
235.09616	53.6
267.13925	4.7
273.14828	4.2
275.16132	2.9
285.14825	19.5
289.14453	3.0
291.15878	29.9
335.21780	2.2
339.19489	4.6
341.21085	100.0
345.20850	3.5
357.20578	99.0
413.26730	9.7
425.26852	11.9
427.79404	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	481.331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08983	0.8
55.01862	2.3
57.03421	1.9
57.07077	8.8
64.77975	1.0
67.05489	3.1
67.11134	0.9
69.07066	13.9
79.05479	3.1
81.07050	8.9
85.22987	0.9
91.05477	2.3
93.07020	7.2
95.08599	3.7
98.20653	1.6
105.07020	2.8
107.08568	11.0
109.02889	1.1
109.10141	3.2
115.24555	0.9
117.07011	1.1
119.08525	1.2
120.51276	1.1
121.10122	4.3
123.11697	27.0
128.06190	2.2
133.06517	1.0
133.08533	1.1
133.10126	2.4
133.38834	1.0
135.04375	5.6
135.08002	4.6
135.11667	12.0
139.03860	1.1
143.08553	1.9
147.04330	1.4
147.08052	1.4
149.09592	5.0
151.03883	6.9
161.05977	2.7
161.09579	4.8
163.03897	21.6
163.07501	2.2
165.05444	1.2
171.08051	3.8
175.03905	2.2
175.07523	11.1
177.05460	3.4
177.09155	1.1
179.03334	2.8
181.04936	17.7
181.06444	1.5
187.07477	1.0
189.05353	1.2
189.09087	8.9
191.07085	2.4
191.10641	1.1
197.04424	2.4
199.07510	3.7
202.06174	1.2
205.08563	8.8
207.10176	2.9
217.08591	79.8
219.10147	82.0
220.10384	1.7
223.09613	9.0
229.08647	1.7
231.10162	1.0
235.09616	48.2
267.13672	5.0
271.13242	1.8
273.14899	8.4
275.16504	2.6
279.16006	2.8
285.14841	17.0
289.14276	3.4
291.15900	23.3
321.18494	1.7
339.19592	5.1
341.21091	85.6
342.21579	1.4
345.20477	1.3
357.20563	100.0
358.20898	3.3
395.25836	1.9
411.25052	2.6
413.26804	9.0
425.26843	11.8
481.26669	1.0
481.33017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05506	0.9
57.03437	1.5
57.07069	3.7
67.05491	1.9
69.03420	0.3
69.06686	0.6
69.07059	11.7
76.50530	0.3
77.45700	0.3
79.05478	0.9
81.07053	2.3
83.08604	0.4
85.06528	0.4
87.96594	0.3
89.06009	0.4
91.05462	1.4
93.07024	4.3
95.04922	0.5
95.08591	1.9
98.78364	0.3
103.39614	0.4
105.07003	1.7
107.04916	0.7
107.08586	3.1
109.06496	0.6
109.10146	3.0
113.21339	0.3
117.06995	0.6
119.04922	0.5
119.08553	1.2
121.06463	0.7
121.10136	1.2
123.11695	3.7
128.06226	0.4
129.07008	0.5
131.08545	0.9
133.06453	0.7
133.10127	1.2
135.04381	0.9
135.08043	2.8
135.11682	3.4
143.08498	0.9
145.06458	1.2
145.10110	0.7
147.08008	1.1
149.06042	0.5
149.09633	1.7
151.03906	1.5
153.05525	0.5
155.08479	0.8
157.10155	0.4
159.08011	0.8
161.05963	1.3
161.09593	2.2
163.03862	2.3
163.07448	1.5
165.05490	1.6
165.06816	0.4
171.08005	0.7
173.06058	0.4
173.09561	0.4
175.03862	0.8
175.07515	3.0
175.11189	0.9
177.05457	5.2
177.06950	0.4
177.09097	0.9
179.03340	0.4
179.96245	0.3
181.04924	1.4
182.10963	0.3
185.09628	0.5
187.03932	0.4
187.07561	0.9
189.05498	1.3
189.09093	5.3
191.06963	1.1
195.02994	0.3
197.04443	0.4
199.07481	1.1
199.11208	0.5
201.05443	1.0
201.09001	0.6
201.12767	0.4
202.06113	0.3
203.06967	1.6
203.10609	1.1
205.08580	5.9
207.10109	0.7
211.07651	0.3
212.08298	0.3
213.09091	1.1
213.12683	0.3
215.07080	0.7
215.10635	0.5
217.08571	18.7
219.10106	4.0
223.09621	3.8
224.73869	0.4
225.14886	0.3
226.09818	0.4
227.10626	0.9
229.08566	8.8
229.12109	0.7
231.10126	14.4
232.10509	0.3
233.08105	0.6
233.11678	1.3
235.09605	5.6
241.08598	2.8
241.12201	1.1
242.09258	0.4
243.10168	1.5
245.11794	0.6
249.11191	4.2
251.66833	0.4
254.87617	0.3
254.90353	0.3
255.10196	2.9
255.13809	0.7
257.11716	2.6
259.13315	1.0
267.13739	1.0
269.11853	0.5
271.13266	1.6
273.07547	0.3
273.11185	1.3
273.14661	1.7
275.12750	1.0
275.16495	0.5
281.11694	0.4
281.15219	0.4
283.13260	7.2
285.11630	0.7
285.14822	14.5
289.14340	1.0
291.15918	1.5
296.14154	0.6
297.14832	1.3
301.14304	3.0
329.17282	0.7
329.21225	0.4
339.19485	15.1
340.19943	0.4
341.21082	24.0
342.21298	1.0
345.20688	1.9
357.20547	100.0
358.20901	3.1
359.21762	0.7
395.25592	0.9
411.25278	3.7
413.26807	6.7
425.26855	4.9
481.26349	0.4
481.32520	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01846	1.9
55.05508	3.4
57.07060	2.6
67.05488	9.9
69.07058	14.7
69.71032	12.9
69.71441	5.0
71.04971	3.3
79.05498	5.0
81.07039	5.8
83.01321	2.7
83.04927	1.9
85.06550	1.9
90.48992	1.9
91.05486	6.9
93.07023	12.7
95.04967	6.8
95.08595	12.1
98.11730	2.3
105.03375	59.0
105.04042	3.8
105.07014	9.7
107.08584	11.7
109.06492	2.8
109.10137	4.6
117.04710	1.7
119.08536	5.1
121.10128	21.2
122.02639	1.9
123.11671	4.2
129.03339	3.7
131.08463	2.4
133.10110	14.9
135.11674	8.1
136.12059	2.5
137.02310	1.8
137.05920	2.1
137.09575	3.8
141.01782	2.2
145.10147	4.3
147.11703	5.3
151.03925	4.8
155.03374	2.4
157.10168	2.6
164.73462	1.8
165.05507	4.6
173.09608	4.8
175.07660	2.1
175.11137	5.2
179.03381	75.3
185.13235	2.9
193.04938	3.9
197.04434	35.1
205.05008	2.3
205.08655	2.4
217.08720	3.1
219.10234	2.4
221.11676	3.4
228.57101	1.7
229.08432	2.7
239.07031	2.5
243.06509	4.2
243.13879	1.8
257.08051	83.9
258.08481	2.9
271.09546	3.1
281.11703	3.1
282.14026	2.4
283.09680	8.5
285.14917	2.8
289.14371	7.9
297.10971	2.1
297.16431	3.2
299.12845	3.3
301.10526	2.4
305.13766	4.2
321.11234	3.3
323.15219	3.2
325.14301	6.1
335.12692	3.0
341.09689	2.2
341.14651	2.4
357.20590	2.6
359.16495	8.3
371.16568	3.8
377.17426	100.0
378.17767	3.6
395.18439	46.6
409.21719	6.8
411.25238	7.5
427.22849	2.6
445.25116	12.7
446.26007	3.1
463.24530	20.3
481.11377	5.9
481.31583	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	481.2793
Annotation	Scutalpin O
Peak:m/z	Relative Intensity
55.01870	2.0
55.05499	5.1
59.04992	11.8
67.05503	8.5
69.07066	7.0
69.82800	9.4
71.04981	9.7
74.36837	1.3
79.05497	4.1
81.07052	11.3
83.01353	2.6
83.04955	1.7
83.08607	3.9
85.06524	1.5
91.05490	4.1
93.07052	10.4
95.04923	2.5
95.08605	11.2
97.06493	1.5
97.10172	1.7
105.03336	2.0
105.07033	7.9
107.04964	1.6
107.08588	13.1
109.06498	2.6
109.10146	14.5
117.06948	1.7
119.08573	3.2
121.06459	4.5
121.10118	7.2
123.08060	11.6
123.11684	18.0
129.06982	1.6
131.08562	3.3
133.06461	1.7
133.10100	4.5
135.04431	6.1
135.11687	26.3
137.09593	1.9
139.03796	1.2
142.07773	15.2
145.10101	4.1
149.05980	2.8
149.09634	4.8
149.13225	2.8
151.11163	1.7
153.05396	1.7
157.10106	8.3
159.08025	4.2
161.09593	3.0
161.13206	3.1
165.05525	2.1
165.09117	2.7
171.11617	2.0
173.09602	7.0
175.07509	1.8
175.11168	3.1
177.05470	19.4
177.09073	14.1
179.06972	2.2
185.09662	3.7
187.07588	2.3
189.05452	3.4
191.10635	13.6
193.04944	13.8
193.08472	1.9
195.06483	2.2
195.10114	4.8
199.11185	1.7
201.09122	9.3
203.06999	3.5
203.10732	4.0
205.05009	1.4
205.08669	6.4
210.88458	1.4
211.05971	31.0
211.11203	1.8
215.07018	8.0
215.10590	1.4
215.14246	2.0
217.08562	1.9
217.12315	2.7
219.10153	24.6
221.08072	2.2
229.08575	49.0
229.12207	3.3
230.08922	1.3
231.10136	22.8
233.08086	6.5
233.11751	1.9
235.13264	5.2
243.13649	6.5
245.11742	2.9
247.09688	17.6
253.12175	1.7
259.13510	1.6
261.14813	7.0
271.13281	15.9
273.11081	2.9
277.14294	9.1
279.40811	1.5
289.14322	92.1
290.14893	1.7
305.13965	1.9
315.15869	2.9
329.17371	2.0
333.16919	1.7
337.56342	1.5
341.21091	5.0
343.19049	2.3
357.20538	1.8
383.25684	18.2
393.24152	3.9
401.26813	5.6
411.25256	100.0
412.25620	2.6
427.24457	1.8
429.26276	14.2
445.25833	46.5
463.26840	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	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05508	5.5
57.07072	4.5
59.04970	2.8
65.97535	2.7
67.05487	9.6
68.45474	2.1
69.03427	2.5
69.07066	18.4
70.99873	9.1
71.04980	7.5
77.03905	2.7
79.05492	11.1
81.03397	3.0
81.07043	10.1
83.01344	6.2
83.04974	3.4
91.05465	13.8
93.07041	18.8
95.04965	7.7
95.08588	12.2
97.06515	2.4
101.42194	2.4
105.03383	60.3
105.07048	13.7
107.08591	20.3
109.06517	3.8
109.10144	7.5
111.08083	2.8
117.06950	2.9
119.08570	6.3
121.10139	24.8
123.08052	2.6
123.11703	6.4
129.03368	5.1
133.10100	14.3
135.04396	3.2
135.11700	16.0
136.12051	4.6
142.07704	3.1
143.08519	3.6
147.11656	6.6
151.03920	6.0
157.10121	2.7
159.07979	3.2
163.11157	3.2
165.05550	4.4
173.09622	6.6
175.07477	3.1
175.11148	8.9
177.05457	3.6
179.03375	78.4
191.07025	2.6
191.10680	5.3
193.04984	7.0
197.04440	36.4
201.09099	2.9
205.08644	2.3
211.05952	6.1
221.11710	3.3
229.08582	7.9
231.06491	2.6
231.10175	4.1
243.06445	5.8
247.09583	2.7
257.08078	90.5
271.09613	5.1
271.13257	4.0
283.09518	4.3
287.12704	5.6
289.14362	19.1
297.16370	3.9
299.12817	4.2
300.20428	6.1
305.13837	8.4
321.11240	3.5
321.84787	2.7
323.14783	7.8
325.14285	7.9
335.12622	7.1
357.20520	5.0
359.16431	10.1
371.16492	4.6
377.17426	100.0
395.18546	53.8
395.23282	1.9
409.21765	9.5
411.25314	14.6
427.23767	4.0
445.25793	25.3
446.26260	5.3
463.24878	20.2
481.10956	3.9
481.28409	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	481.2581
Annotation	Demethylzeylasteral
Peak:m/z	Relative Intensity
53.03934	4.7
55.01897	3.5
55.05509	7.4
55.33488	3.1
67.05493	22.7
69.07063	21.2
69.57070	15.5
69.57507	14.8
71.04987	7.4
79.05486	18.8
80.05935	3.2
81.03404	7.5
81.07057	19.5
83.04964	3.6
83.08617	6.6
91.05489	22.7
92.05800	4.9
93.07021	21.8
95.04955	15.5
95.08603	14.7
97.06509	5.6
100.21239	3.0
105.03375	100.0
105.07004	21.3
107.04975	4.3
107.08583	25.0
108.08942	3.5
109.06473	6.1
109.10155	9.1
111.08035	4.2
119.08559	8.5
121.06517	4.3
121.10130	13.9
123.11737	6.5
129.03424	6.6
131.08530	7.1
133.10124	26.5
135.11676	9.5
137.05960	4.5
145.10147	4.4
147.04396	3.5
147.07983	3.5
147.11745	4.8
149.05959	4.3
151.03847	4.5
159.11700	4.3
163.11076	4.7
165.05510	6.5
169.05028	2.9
173.09627	7.8
175.11201	9.0
179.03372	58.7
179.04836	5.2
193.04996	5.7
197.04417	29.1
217.08777	3.8
219.10146	3.5
237.11060	3.5
239.07033	4.2
245.08057	4.0
253.10628	4.4
257.08054	66.6
268.66693	3.4
271.09384	4.3
281.11804	6.9
283.09555	6.5
297.16315	7.4
299.12955	5.2
325.14502	5.3
341.13776	8.8
357.20532	10.6
359.16257	18.4
371.16330	13.6
375.21753	7.4
377.17468	88.3
378.17596	4.4
395.18442	37.6
409.21506	34.9
423.25632	3.3
437.29123	4.4
445.24307	11.3
463.24402	21.0
481.31250	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	481.2581
Annotation	Vedelianin
Peak:m/z	Relative Intensity
51.28016	2.2
53.03939	3.3
55.01855	2.0
55.05485	3.3
59.97298	1.6
63.08380	1.6
67.05499	14.1
69.06742	2.2
69.07060	24.6
71.04984	9.2
71.20479	4.6
72.05308	2.8
79.05470	6.3
81.03393	2.3
81.07030	7.4
83.01321	3.6
91.05457	4.2
93.07014	6.2
95.04939	7.0
95.08604	9.4
105.03381	78.6
105.07024	13.2
106.07372	3.1
107.08557	7.5
109.06466	2.0
109.10138	100.0
111.04386	2.0
119.08562	3.8
121.10138	9.0
123.11701	2.7
124.29831	1.9
125.09612	2.7
127.11180	46.5
131.08563	2.7
133.10101	9.8
135.08037	2.5
135.11687	2.2
141.01785	3.3
145.10095	7.2
145.11897	1.9
146.10408	3.7
147.11722	2.7
149.09589	4.0
151.03946	3.7
165.05466	14.8
169.04854	1.9
173.09573	3.5
175.11176	3.1
177.05412	2.9
177.09047	4.5
179.03368	40.6
179.06944	2.3
191.06966	2.6
191.10681	7.4
192.10941	4.0
193.04926	4.3
197.04449	27.5
201.08974	4.8
202.09442	4.0
205.08575	10.2
219.10152	8.1
221.11696	6.9
223.09572	10.6
237.11234	1.9
243.09981	2.2
243.13756	18.1
244.14110	26.5
245.08138	4.3
257.08057	43.4
261.14758	2.7
262.15021	4.2
267.13742	2.9
273.14642	2.3
277.12500	1.8
278.84772	1.8
283.09561	2.9
285.14804	2.3
289.14291	3.2
290.14621	3.9
299.12793	2.5
303.15652	2.2
313.17929	4.6
314.18216	7.2
315.19708	2.2
321.10980	2.5
323.12677	9.2
340.28171	3.9
341.13889	5.3
359.18280	5.5
359.22223	2.8
360.18811	29.6
377.17218	29.3
378.19897	31.2
379.18936	5.7
395.18906	6.9
397.19983	6.2
413.19702	2.2
445.23685	4.1
463.24417	8.3
463.30179	2.0
481.23288	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	481.258
Annotation	Vedelianin
Peak:m/z	Relative Intensity
52.00734	1.0
53.03927	1.7
55.01863	2.0
55.05498	3.1
57.07058	1.3
65.03922	3.4
67.05495	6.7
69.03416	1.3
69.07061	25.3
71.04984	3.3
79.05481	3.1
81.07044	4.9
83.01328	6.9
83.08595	1.0
91.05476	1.9
93.07048	8.3
95.04963	5.7
95.08616	3.2
97.02867	1.1
105.03381	20.2
105.07028	3.0
107.08590	8.3
109.06521	2.6
109.10137	13.4
111.04446	5.8
119.08566	2.7
121.02858	37.9
121.06510	1.5
121.10120	4.1
123.11691	3.4
127.11155	5.8
131.08514	1.0
133.10110	2.5
135.08121	1.2
135.11679	10.0
137.02347	4.1
137.09692	1.6
141.01820	4.7
151.03864	4.6
153.05501	1.6
155.03349	3.2
161.05995	5.8
161.09583	1.1
163.11188	2.4
165.05453	11.1
167.03395	2.7
167.07043	2.3
169.04938	1.1
177.05444	1.5
177.09164	1.2
179.03374	77.9
191.03366	6.1
191.06964	1.7
191.10657	1.8
193.04956	1.8
195.76715	1.3
197.04428	53.7
201.09151	1.6
203.07053	3.0
205.08676	1.2
209.04451	1.6
209.11606	1.1
217.04987	3.2
219.06490	2.1
219.10152	3.9
221.04514	1.6
221.11653	1.9
222.34424	1.1
231.10159	1.3
233.08066	3.1
235.06004	6.9
237.11096	1.4
243.13794	2.6
244.14182	3.6
245.08099	1.7
257.08066	11.1
261.07645	3.5
273.07547	100.0
274.07819	1.3
275.16400	1.4
277.44901	1.1
281.04306	1.2
285.04160	2.0
285.07541	5.1
287.09183	2.2
287.16385	7.7
297.07452	1.2
303.16013	2.1
305.17337	2.3
311.09055	8.0
314.18311	1.3
327.12271	11.5
339.08646	4.7
343.22601	3.5
359.18207	2.4
360.18872	5.9
372.36652	1.3
377.17435	1.9
378.19830	4.6
395.14728	4.4
395.18753	33.8
413.19620	26.6
425.19385	1.9
427.27792	1.7
445.23541	1.5
463.25830	1.4
481.25623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2581
Annotation	Vedelianin
Peak:m/z	Relative Intensity
53.03936	4.3
55.05502	6.4
57.12178	2.4
62.11024	2.3
66.83408	2.4
67.05489	5.8
68.05756	3.2
69.07066	16.0
71.05948	8.0
79.05477	8.4
81.03423	2.5
81.07032	8.5
85.25927	2.5
91.05457	7.8
93.07026	14.0
95.04957	8.4
95.08583	10.1
97.10144	3.4
101.52932	2.4
105.03379	59.1
105.07030	14.8
105.29308	2.4
107.08578	17.2
109.10128	5.8
119.08540	4.7
121.10130	24.0
123.11737	3.7
129.03358	5.2
133.10123	13.6
135.11656	7.7
137.02351	2.8
137.05952	3.0
147.04353	3.3
151.03909	4.6
160.61514	2.6
165.05464	3.8
173.09633	5.7
175.11086	6.1
179.03368	79.9
197.04416	37.2
205.05042	4.7
229.08583	3.4
231.10112	3.2
243.06575	6.9
257.08057	98.6
273.14661	2.8
281.11731	3.8
283.09604	3.8
289.14380	2.4
297.16263	2.4
299.12698	3.7
300.20346	5.2
301.10651	2.5
323.15103	2.4
325.14435	8.2
335.12820	5.3
341.14172	5.5
343.58316	2.5
357.20502	3.3
359.16379	7.1
377.17401	100.0
378.17783	3.2
395.18481	51.8
409.21481	5.9
411.25156	6.6
415.03452	2.6
427.23129	4.0
445.25211	13.7
446.26135	3.1
463.24759	18.3
481.11307	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	481.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44445	0.5
53.03879	0.5
54.66553	0.6
55.01855	1.9
55.13841	0.5
58.52588	0.6
65.03917	2.1
65.64828	0.5
67.05499	1.0
69.03397	0.7
69.07059	7.4
69.72900	4.3
70.96082	0.5
75.85474	0.5
79.05471	0.9
81.07059	0.9
83.01330	2.8
91.05469	0.9
93.07021	2.5
95.04935	1.4
95.08598	0.7
98.20612	1.2
105.03374	6.0
105.06998	0.9
107.08576	3.4
109.02861	1.2
109.10123	1.1
111.04427	3.7
121.02846	39.9
121.10126	1.1
123.00762	0.6
123.04410	1.1
123.11669	4.4
133.10107	2.4
135.11656	5.5
137.02304	3.5
141.01807	4.9
151.03857	5.4
155.03383	2.3
165.05457	11.1
167.03387	2.1
169.04897	0.6
179.03363	81.1
195.02881	1.1
197.04425	40.4
217.04927	0.8
219.10223	0.8
221.11626	2.0
242.27571	0.6
257.08038	12.3
261.07410	3.0
271.06195	0.8
273.07538	100.0
274.07870	1.8
285.14658	0.6
287.16367	3.7
311.09186	0.9
323.12814	0.8
325.14334	2.0
341.13815	12.5
343.21970	0.7
377.17416	1.7
389.17303	1.1
393.16574	1.3
395.18472	28.7
407.18549	5.4
413.19489	1.1
477.75214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.9
51.02367	1.6
53.03935	4.0
55.01842	1.1
55.05500	8.9
59.04987	1.6
61.34108	0.8
67.05491	4.7
68.99781	5.3
69.03419	3.7
69.07057	68.6
69.62446	7.6
69.62870	1.8
70.07398	1.0
71.04985	1.5
76.92023	0.9
77.03931	1.1
78.86746	1.0
79.05476	5.9
81.03391	1.3
81.06615	0.8
81.07040	6.1
83.01338	6.1
83.04978	2.1
83.08598	1.6
91.05473	9.2
93.07035	23.5
95.04958	12.5
95.08591	8.7
97.06522	4.0
97.10141	3.5
105.03378	100.0
105.04506	2.6
105.07003	8.0
106.03754	1.3
107.04928	1.2
107.08570	18.5
109.06509	3.0
109.10148	5.1
111.11696	15.4
115.49693	1.1
117.07027	1.6
119.08567	3.6
121.06502	2.5
121.10120	24.2
121.10992	1.3
123.08062	2.2
123.11684	2.5
129.06964	1.3
131.04910	1.2
131.08522	1.8
133.06493	1.9
133.10104	4.3
135.08028	1.6
135.11678	60.9
137.09605	2.3
139.11163	16.1
141.06984	1.2
143.08647	1.3
145.10120	5.5
146.10475	1.1
147.04401	5.2
147.08020	1.0
149.06009	1.1
151.03931	1.1
151.11119	1.2
153.01802	3.1
153.05536	1.2
153.12708	1.4
159.07837	1.1
161.09604	3.5
161.25468	0.9
163.11189	16.2
169.05066	1.3
173.05988	1.0
173.09464	1.2
179.03366	9.2
181.12212	1.9
183.02827	9.4
191.10730	2.2
192.10968	1.9
197.04411	4.3
199.02252	5.4
201.05476	1.2
201.09186	2.5
207.06577	1.2
211.07571	1.8
213.05446	2.0
215.06978	4.5
219.11792	1.5
229.08488	2.9
231.06538	2.2
235.18013	1.0
239.06911	1.2
243.06483	4.1
243.13838	3.9
244.14108	6.2
255.06473	2.4
255.13853	1.6
257.08057	14.2
259.06024	4.1
261.07507	7.8
265.12210	1.8
269.07910	1.5
279.13690	1.3
283.13397	1.5
293.11813	1.0
297.14804	7.9
303.13977	1.1
307.13123	7.5
309.11340	1.5
314.18161	1.5
321.14722	1.5
325.14484	2.1
327.12070	1.3
335.16074	1.3
349.18069	1.6
359.16464	3.8
360.18744	5.5
377.17249	15.9
378.19995	7.2
395.18396	10.6
413.19586	14.8
427.22601	3.3
445.23740	2.3
463.24606	2.0
481.25827	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.2
52.86637	1.1
53.03934	5.0
55.01847	1.5
55.05509	10.3
61.83182	1.1
64.94621	1.4
67.05480	5.7
68.99784	4.0
69.03425	3.0
69.07059	76.3
71.04988	1.7
71.25970	3.0
77.03919	1.2
79.05492	8.0
81.07044	8.4
83.01344	6.2
83.04971	2.6
83.08608	2.3
85.06573	1.5
90.96185	1.2
91.05466	7.5
93.07031	29.8
95.04957	11.8
95.08595	9.3
97.06504	3.6
97.10148	3.6
105.03379	100.0
105.04491	2.6
105.07015	9.4
107.08565	19.4
109.06475	2.1
109.10132	4.3
111.11707	15.6
119.08560	4.7
121.06498	1.9
121.10136	27.5
123.08059	1.9
123.11721	1.4
125.09650	1.6
129.03339	2.1
129.06984	2.4
131.08578	1.7
133.10117	4.7
135.08054	1.8
135.11673	65.4
136.12038	1.7
139.11168	18.3
141.06976	1.3
142.21602	1.2
145.10107	3.5
147.04407	7.1
151.03978	1.4
153.01814	2.9
155.30804	1.3
159.08084	1.6
161.09581	3.8
163.11159	19.4
165.05481	1.7
173.09578	2.2
175.11124	1.5
177.05495	1.6
179.03360	9.7
181.12206	2.4
183.02864	8.5
185.06027	1.9
187.07564	2.3
195.06511	1.8
197.04430	5.8
199.02371	6.4
201.09204	1.4
205.08669	1.7
211.07530	2.6
215.07031	3.3
229.08537	2.6
231.06497	3.2
231.13730	2.1
235.11345	1.4
239.07007	3.0
243.06433	4.3
243.13773	2.2
244.14101	3.9
255.06436	1.9
257.08105	13.2
259.05984	5.5
261.07568	10.8
265.12399	1.5
269.08093	1.6
279.13626	1.5
281.11859	1.4
297.14835	9.4
301.14340	2.2
307.09863	2.1
307.13226	6.4
309.11255	2.2
311.12906	1.4
335.16452	1.3
349.18341	1.6
359.16418	4.0
360.18835	3.0
377.17172	15.8
378.19888	3.9
395.18451	9.2
409.21527	1.9
413.19623	13.6
427.22522	2.3
445.23727	4.5
463.24551	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	481.258
Annotation	Demethylzeylasteral
Peak:m/z	Relative Intensity
53.03930	4.8
55.05506	12.0
57.03427	1.8
57.07061	3.4
62.06066	4.0
67.05482	6.4
68.99782	38.0
69.03416	3.7
69.07058	25.7
71.04969	2.0
71.21246	4.3
79.05489	4.2
80.88484	1.4
81.03389	1.6
81.07029	7.6
83.01330	4.5
83.08605	4.0
85.02910	1.9
91.05451	7.3
93.07023	7.5
95.04956	4.5
95.08597	14.1
95.90727	1.4
97.06525	3.2
97.10159	15.7
103.05422	1.5
105.03378	85.0
105.04487	3.4
105.07016	43.6
106.03696	1.7
107.08582	14.2
108.73657	1.5
109.06478	1.4
109.10157	15.6
111.04428	1.7
113.09641	1.7
117.06937	2.0
119.04913	1.9
119.08551	14.2
121.02891	2.5
121.06503	4.8
121.10123	9.3
122.10443	2.4
123.08038	3.3
123.11697	2.3
125.09625	5.7
127.11172	4.3
129.06975	2.7
130.07744	2.3
130.40565	1.4
131.08580	4.9
133.10112	5.5
135.08061	2.1
135.11705	3.1
137.09583	2.0
137.57379	1.7
142.07741	4.0
143.08528	5.7
145.10121	15.1
147.04388	55.9
147.11670	28.8
149.05959	3.2
155.00902	1.8
155.08507	2.3
157.10107	14.5
159.11693	8.1
161.09607	2.1
163.07477	1.9
163.11137	2.5
165.05479	3.3
169.08676	1.8
169.10059	3.0
171.08032	3.5
171.11661	2.7
173.09592	33.1
173.13159	2.2
175.11160	100.0
179.03362	6.2
183.11652	2.2
185.13214	6.1
187.11287	1.7
187.14848	3.0
189.09026	3.2
191.10608	14.2
193.12279	4.9
197.04410	4.7
197.13275	4.3
199.14833	3.6
201.12805	2.0
203.07054	7.4
203.14299	7.3
205.08614	2.9
205.12196	2.3
211.11148	2.8
211.14809	3.5
213.12737	31.9
215.10463	2.1
215.14354	7.3
217.15883	2.5
219.10095	4.8
219.13791	1.6
223.09584	2.2
225.16495	1.6
227.14282	4.9
229.12183	8.9
231.13835	2.2
237.11163	3.0
243.13873	3.7
245.15352	3.4
249.14825	11.5
253.19496	6.4
255.21088	6.1
257.08032	5.2
257.11594	2.2
261.14865	6.4
271.20514	8.5
273.07538	4.9
273.14911	2.2
273.22107	43.0
275.12704	4.4
279.15875	4.3
281.19052	6.5
293.13757	1.7
299.19995	18.1
317.21063	33.7
331.17010	3.4
333.18454	5.7
335.22086	19.9
340.29282	18.5
341.21051	2.0
343.18863	2.7
361.19861	1.8
377.17410	9.8
395.18564	13.2
401.24570	3.1
420.25906	1.8
463.25012	5.1
481.15283	9.1
481.25638	15.3
482.15396	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44759	1.0
55.18161	1.0
57.07062	3.3
67.05481	3.5
69.07057	7.1
71.80051	1.7
79.05464	2.5
81.07035	7.6
83.08594	1.2
91.05475	2.6
91.18702	1.1
93.07004	3.3
95.04945	1.9
95.08584	4.9
105.03394	1.7
105.07001	3.2
107.08575	4.3
109.10130	2.8
112.76853	1.1
119.08558	2.0
121.10107	2.5
121.94143	1.2
123.04438	1.4
123.08009	1.4
123.11700	2.3
131.08530	1.1
133.10114	2.7
135.11693	3.9
137.13257	1.4
138.28702	1.1
147.11626	1.6
165.05357	1.4
205.08624	2.2
213.12708	1.2
219.10139	1.6
223.09526	1.4
223.16937	2.1
231.13852	1.7
232.07054	4.8
233.07805	1.8
235.09683	1.6
243.13731	1.6
245.07782	1.4
259.05762	1.3
259.09286	1.7
261.07346	5.2
273.07257	8.7
274.11737	1.8
274.81601	1.1
285.14896	1.3
302.11151	3.2
313.14047	8.8
314.15088	1.4
330.10562	1.5
339.19595	1.7
357.20496	3.1
385.19879	4.2
386.02441	1.2
397.19983	3.1
411.17807	5.9
412.18460	10.4
413.19241	37.6
414.76566	1.2
453.25885	3.7
463.24667	1.9
481.25562	100.0
482.26105	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	481.1125
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
55.01851	0.3
55.05507	1.4
57.03420	0.5
57.07055	0.5
67.01845	0.3
67.05501	3.3
68.99767	0.3
69.03406	0.7
69.07072	3.8
71.04963	0.9
74.09689	0.3
79.05492	2.3
81.03382	1.0
81.07053	3.4
82.07388	0.2
83.04953	0.7
83.08591	0.7
85.02893	0.4
85.06522	0.4
91.05458	2.7
93.07032	3.5
94.07349	0.5
95.04958	1.6
95.08595	1.7
97.02869	0.3
97.06500	0.6
97.10159	0.4
98.21548	0.5
99.08075	0.3
102.04669	1.4
103.05454	1.9
105.03343	0.9
105.07012	2.8
107.04938	0.3
107.08585	2.2
107.41724	0.3
109.06486	0.6
109.10158	1.7
111.08078	0.6
111.11720	0.5
113.06021	0.3
115.05394	0.3
117.06991	0.9
118.04131	0.8
119.04934	1.3
119.08562	1.3
121.06495	0.7
121.10143	2.3
122.10440	0.3
123.04464	0.3
123.08029	0.9
123.11671	0.8
124.05177	0.3
125.09637	0.3
129.06950	0.4
130.04109	2.0
131.04929	4.4
131.08516	0.6
132.05479	0.3
133.06447	0.9
133.10098	1.0
135.04398	0.3
135.08011	0.5
135.11676	2.7
137.05974	1.0
137.09586	0.6
139.03857	1.2
139.07542	0.3
143.08496	0.4
145.10107	0.9
146.02431	0.3
146.03606	6.6
147.00816	0.6
147.04419	3.6
147.11697	0.4
148.05174	1.0
149.05966	0.7
149.09554	0.4
151.07527	0.5
151.11107	0.5
153.05472	0.3
159.11697	0.4
161.04724	0.4
161.05978	6.6
161.09552	0.4
162.06749	3.3
163.03940	0.8
163.07477	1.3
163.11127	0.7
173.09598	0.4
175.11191	0.4
177.05450	0.4
177.09178	0.3
187.03899	0.7
189.09090	0.5
191.10634	0.5
193.04889	0.3
203.03358	2.2
203.07057	0.3
204.04126	0.6
205.04855	0.4
209.11684	0.9
211.13152	0.3
215.03343	1.3
216.04160	5.1
217.08571	0.4
219.02921	0.3
219.10156	0.3
227.03195	0.5
229.04984	0.3
231.02869	100.0
232.03392	3.1
233.07936	0.4
233.11778	0.3
235.09628	1.6
243.02954	0.4
244.03625	1.0
245.04475	0.7
251.12688	0.3
253.14304	0.5
257.04352	1.9
259.02371	26.0
260.03140	10.3
261.03931	14.4
273.03867	0.6
285.03989	0.9
289.14401	0.5
297.04010	0.3
305.05518	0.6
305.13739	0.4
339.08603	0.4
343.06009	0.4
347.05399	0.5
357.20575	2.3
360.22562	0.3
361.07019	1.1
371.05371	0.3
371.25827	0.3
375.21542	1.2
377.06888	0.3
389.06580	5.6
389.11420	0.2
393.09406	0.3
393.22516	0.4
406.06982	0.6
409.23462	0.4
413.15768	0.8
413.21896	0.3
421.09164	37.7
422.09378	1.9
427.24863	1.8
437.28992	0.4
439.10425	0.4
444.27930	0.3
445.24973	1.2
463.26126	1.7
467.09250	0.3
481.11267	44.6
481.30777	1.2
482.11545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07036	5.1
70.99989	3.4
71.00346	9.2
71.04986	13.7
74.74003	2.9
81.07051	3.4
82.38141	2.9
86.46452	3.4
99.04456	3.1
103.40146	2.7
105.03404	5.1
105.07014	22.1
111.04446	8.5
119.08598	2.9
145.10095	24.8
149.05972	3.3
169.04964	3.7
173.09575	4.3
191.10638	29.6
196.94835	2.6
197.13333	4.5
201.09131	21.9
211.11122	5.5
212.52278	3.1
225.12651	3.7
225.59708	3.3
232.10425	3.3
243.11482	5.9
243.13773	75.9
243.22119	3.0
261.14764	7.9
289.14334	12.1
313.17938	35.1
315.19525	7.6
342.18002	3.3
359.18488	100.0
377.19540	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.9
55.05514	8.4
57.07057	2.7
67.05502	13.5
69.03415	3.7
69.07062	25.8
69.59813	10.2
69.60239	5.3
71.04989	33.9
79.05492	9.9
81.07050	74.7
83.04963	3.2
83.08604	2.2
91.05464	3.4
93.07041	10.7
95.04945	2.1
95.08006	3.4
95.08600	62.1
95.09201	3.5
97.10163	3.5
97.79179	1.7
97.92383	1.5
98.20702	2.8
99.04420	2.8
105.03394	2.3
105.07005	7.2
107.08581	15.5
109.06489	3.4
109.10145	14.1
111.08085	2.0
119.08575	13.3
121.06475	2.9
121.10140	16.1
123.08051	4.4
123.11730	12.5
129.06990	2.0
131.08575	6.6
133.10103	8.2
135.08052	9.4
135.11684	22.5
135.64352	1.6
137.06000	8.1
137.09598	5.0
137.13263	18.6
143.08530	2.4
144.09404	1.8
145.10088	7.8
147.08047	3.0
147.11694	5.9
149.09608	7.3
149.13266	3.4
150.10352	2.5
151.11162	7.2
157.10091	4.9
159.08080	2.7
159.11682	13.1
161.09590	8.3
161.13217	3.6
163.07565	2.8
163.11115	4.1
163.14845	2.3
165.09100	3.7
165.12769	3.2
169.10132	2.4
171.11670	3.6
173.09604	4.5
173.13255	4.5
175.07454	2.4
175.11188	4.2
175.14766	2.9
177.09137	3.9
177.12737	3.7
179.10695	11.1
181.12248	4.5
183.10178	3.6
185.13263	4.2
187.11218	3.9
187.14726	3.6
189.12717	6.4
189.16374	3.1
191.10741	3.9
191.14253	2.0
193.08612	4.0
193.12286	4.2
197.13242	2.2
199.14809	5.0
201.16258	2.1
203.10843	3.6
203.14323	3.5
205.12196	6.4
205.15788	4.1
206.16626	6.3
207.17464	2.6
211.14746	3.7
213.16330	6.2
214.60036	1.8
215.14369	2.5
215.17990	9.7
217.15814	3.4
219.13826	2.7
219.17427	2.2
223.13260	10.6
225.16389	2.7
231.17375	2.9
233.15352	7.0
237.14761	4.1
241.15813	2.4
245.15334	3.6
249.14880	2.6
251.16449	2.4
253.19423	4.5
255.20995	12.6
256.21838	3.6
257.15250	1.7
257.22580	9.8
263.16376	2.7
273.21979	4.2
281.18958	2.1
283.20517	5.0
295.20569	2.4
299.20056	6.5
301.21567	28.6
305.17584	2.1
309.13342	5.9
311.20120	3.3
319.18918	4.7
319.22687	15.2
329.21155	2.3
333.16754	3.2
333.20526	21.4
339.19537	4.0
341.21072	1.9
345.20609	4.6
355.26175	2.3
357.20645	4.7
363.18021	13.4
363.22543	2.3
365.24832	4.0
371.25848	2.0
373.27478	2.3
377.19641	5.4
381.24146	11.7
383.25851	14.0
391.22598	4.2
399.25229	9.1
401.26846	100.0
402.27316	3.6
409.23767	14.2
427.24789	68.0
445.25836	11.9
480.30081	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	480.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.8
69.07056	4.9
70.01807	17.1
71.04987	14.2
72.80383	2.3
73.10696	2.6
98.20776	4.9
99.04448	7.1
105.07015	16.6
111.04423	7.2
119.08577	3.0
133.35529	2.7
145.10118	13.3
151.25688	2.4
160.56271	2.8
169.04961	4.6
169.08676	3.0
173.09550	5.4
176.66772	2.6
189.12585	3.5
191.10617	17.5
197.13237	6.0
201.09160	14.7
211.11235	4.8
225.12683	2.6
241.12256	3.2
243.13785	100.0
261.14917	8.8
289.14276	9.5
307.15253	3.0
313.17969	34.1
315.19580	5.7
359.18484	69.9
377.19562	87.1
462.29141	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	480.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	14.1
57.07073	28.2
59.64120	17.5
60.49476	14.0
66.22141	14.9
67.05476	47.9
69.07052	77.5
70.33399	22.1
70.33739	67.5
71.04948	15.4
71.30003	13.9
78.93642	19.5
79.05479	27.5
81.07026	46.4
91.05472	28.9
93.07022	60.8
95.08591	34.3
98.20781	18.5
105.06997	29.3
107.08552	58.7
109.10130	63.8
119.08618	16.6
121.06463	35.9
121.10111	100.0
135.11662	68.2
145.10078	21.8
155.59085	15.1
161.09772	16.3
163.11072	19.7
163.53470	16.8
165.05533	29.7
197.08047	25.5
219.10100	23.9
221.08060	20.1
221.11836	22.1
222.12112	21.3
238.11656	20.6
242.57979	15.3
303.15479	18.9
304.16254	51.5
316.65067	17.0
322.17361	18.0
361.20486	18.1
480.39005	18.0
481.23431	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01873	11.3
55.05497	5.8
57.03432	36.3
57.07063	3.9
59.04990	4.3
60.04507	4.3
60.24838	1.8
60.60018	2.2
61.02922	16.5
64.43900	1.9
65.03955	1.8
67.05495	15.9
69.03046	3.3
69.03423	71.1
69.07066	18.0
71.01346	9.1
71.04972	6.8
71.14585	4.2
73.02908	77.0
75.04475	3.6
79.05476	7.7
81.03419	7.4
81.07043	32.5
82.01962	2.5
82.07387	2.7
83.04986	6.6
83.08604	5.0
84.04517	2.3
85.02895	100.0
85.06524	3.4
86.03207	3.0
87.04453	32.4
90.34010	2.1
91.03963	3.6
91.05456	12.5
93.07034	13.9
94.07391	3.3
95.04971	6.9
95.08595	20.6
95.25240	2.0
97.02880	97.4
97.06516	3.6
99.04449	6.3
99.08064	2.7
105.03393	2.8
105.07015	9.0
106.07375	2.7
107.04935	2.9
107.08586	12.0
109.02848	7.2
109.06512	6.3
109.10140	23.0
111.04383	2.2
111.08057	4.2
113.06001	3.1
115.03919	91.2
117.07034	4.0
118.07438	2.4
119.04919	3.3
119.08556	5.7
121.06491	2.8
121.10129	10.8
123.04422	7.1
123.11693	59.2
127.03912	28.2
127.04773	3.5
127.07526	2.3
127.11141	3.7
130.04175	2.6
131.03380	3.1
131.04915	4.2
131.08556	4.0
132.06615	2.2
133.04956	79.5
133.10107	9.5
135.08051	3.9
135.11668	4.4
137.05969	17.0
141.32109	2.1
144.06537	6.1
145.04945	34.7
145.10104	4.9
147.04340	6.0
147.11690	7.9
149.05972	2.6
149.13245	5.2
150.07628	8.2
151.11151	19.7
153.01796	24.0
159.11708	3.9
162.07669	5.1
163.06046	7.8
165.12740	2.9
167.07025	5.8
169.04848	2.6
169.12225	53.4
169.13585	4.2
173.09618	2.8
175.11143	3.6
177.05505	4.0
180.08646	7.1
182.90428	2.2
189.12654	2.3
193.05054	3.0
193.12209	5.7
195.13878	2.2
223.06010	7.9
229.04919	3.8
229.14333	5.3
230.05342	3.4
231.10049	2.7
241.07106	8.4
247.13301	5.1
259.08121	9.7
263.55637	2.5
265.14212	3.8
269.17517	23.6
283.15475	10.1
283.18964	5.7
289.10727	2.7
294.11859	4.1
295.10010	2.5
301.03470	2.9
301.20139	3.4
303.05032	23.9
304.05325	54.4
305.05466	3.7
309.07513	3.2
313.03400	3.3
319.15161	2.9
436.16336	6.2
462.25772	4.1
463.10315	4.5
480.15326	29.0
480.26993	5.7
481.11096	25.1
481.17163	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	480.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01862	5.9
57.03427	49.2
57.07063	2.1
59.04987	2.4
61.02918	16.5
67.05487	5.1
69.03422	51.7
69.07058	65.0
69.69962	9.8
71.01336	7.3
71.04986	3.0
73.02905	86.3
79.05482	1.9
81.03393	6.2
81.07043	21.5
85.02892	71.4
85.58829	1.4
87.04452	6.3
91.03937	2.6
95.04915	1.7
95.08591	5.8
97.02879	80.8
99.04452	2.7
103.03923	2.5
109.02867	5.2
109.06550	1.3
109.10130	10.8
115.03914	66.1
121.10193	1.4
123.08113	1.3
123.11689	100.0
127.03894	24.6
133.04939	27.5
139.52679	1.3
144.06526	4.2
145.04947	26.4
150.07613	1.7
151.11160	84.3
163.06006	8.8
169.12196	12.1
180.08759	2.1
193.04959	3.0
223.06114	7.3
241.06989	7.9
259.08124	6.6
283.15329	28.4
295.10236	2.1
304.04999	1.9
313.16412	6.8
349.68170	1.4
500.21188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.9
55.01877	12.7
57.03431	22.7
57.07067	1.8
59.05005	2.4
60.04531	2.0
61.02918	18.7
67.05507	5.0
69.03420	48.9
69.06689	3.1
69.07061	53.7
69.93233	5.6
69.93666	8.1
71.01343	7.7
71.04977	3.4
72.48742	1.9
73.02908	87.9
77.72564	2.0
81.03403	7.2
81.07044	15.0
83.04964	2.9
85.02896	100.0
87.04456	6.2
91.03968	4.1
95.08598	6.2
97.02881	82.1
99.04443	5.7
103.03903	4.9
107.08582	2.3
107.49851	1.8
109.02866	8.8
109.06502	2.8
109.10142	8.5
109.30266	1.7
115.03922	42.0
117.96024	1.6
119.35501	2.1
123.11700	76.2
124.12098	2.0
125.71396	1.7
127.03900	37.2
133.04948	45.0
144.06566	2.0
145.04941	43.0
150.07581	4.5
151.11157	77.7
151.68118	1.8
163.06004	19.9
169.12248	12.5
181.04941	2.2
199.06059	3.1
223.05981	8.9
229.34111	2.2
241.07132	8.8
259.08112	7.9
265.14478	5.0
276.10651	2.4
283.15384	32.7
304.05292	3.1
313.16367	2.5
377.54767	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	479.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62762	3.2
55.05491	6.6
57.03411	4.4
57.06837	3.4
57.07069	44.7
58.38535	3.1
67.05479	10.8
69.06739	5.0
69.07062	58.9
69.45960	3.5
69.57423	8.1
69.57841	30.1
70.06532	3.6
78.94021	3.1
79.05470	6.7
81.07031	13.8
83.01296	4.3
83.04969	4.7
85.06541	9.5
91.05458	5.6
93.07024	19.1
95.08604	20.2
98.21514	7.2
105.03361	8.3
105.06997	13.8
107.08557	15.3
109.06533	8.5
109.10159	9.8
117.06972	6.4
119.04898	4.3
119.08540	5.9
121.06465	4.6
121.10104	11.9
131.08514	11.9
133.10023	10.9
134.17854	3.4
135.07997	5.0
135.11732	6.9
143.08626	4.6
145.10080	8.2
147.81198	4.3
155.08530	4.8
157.10056	5.1
159.11632	7.5
165.05402	4.5
168.09381	3.8
169.06415	16.2
171.95981	3.7
173.09595	32.6
175.07500	10.5
175.11186	5.2
179.03343	5.3
179.14433	5.4
181.04869	3.5
183.11694	18.4
189.09003	6.5
191.06906	8.2
193.10268	3.5
195.11636	8.6
197.22052	3.4
205.08546	5.0
207.11757	5.1
209.13205	4.8
211.11168	26.0
217.08543	42.1
219.10124	5.4
222.18440	4.1
223.11293	8.8
225.12790	7.1
229.12202	4.0
230.50632	3.5
235.09612	16.4
237.12843	6.5
240.19608	20.0
249.12749	6.2
265.11981	4.6
265.15826	14.1
273.16476	3.7
277.12189	28.7
277.15244	5.5
283.13376	6.8
291.15649	29.7
295.13306	7.9
295.16428	4.3
301.15598	4.5
303.04907	16.1
303.17050	5.2
304.14334	4.5
309.18338	5.8
319.16846	52.5
321.18506	8.4
325.17700	3.6
337.17902	100.0
339.19516	7.1
355.18970	70.6
357.20874	4.4
359.22458	6.3
373.22070	4.1
375.23044	13.1
377.24872	6.8
387.23001	6.1
391.22610	4.1
393.24252	57.4
394.24927	4.1
395.25751	12.2
405.23950	11.1
411.25223	83.4
433.30875	5.1
443.28607	11.5
461.29810	14.5
479.31183	23.0
479.37299	22.8
498.11432	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	479.3
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
53.03935	1.4
55.01846	1.9
55.05505	7.5
57.03421	1.7
57.06798	2.8
57.07069	45.8
59.04995	7.1
67.05495	15.0
69.03410	2.8
69.07062	15.8
70.07574	7.9
71.04987	2.0
77.18742	1.2
79.05478	8.9
81.03399	4.2
81.07044	16.4
83.01345	2.0
83.04973	4.2
83.08609	5.5
85.02869	2.5
85.06529	9.7
91.05470	8.4
93.07024	14.8
95.04933	6.1
95.08605	17.6
97.06513	2.5
97.10151	2.1
98.20762	1.3
101.73558	1.3
105.07015	9.2
107.04924	2.2
107.08582	12.5
109.06487	6.3
109.10157	9.7
119.08578	5.3
121.06517	1.8
121.10131	9.3
123.08064	12.7
123.11677	8.8
127.11113	2.9
129.07007	3.0
131.08534	3.9
133.06493	1.9
133.10094	7.2
135.04460	2.1
135.08031	2.6
135.11685	17.1
137.05936	3.4
142.07764	1.7
143.08514	2.0
145.10139	3.5
147.08090	2.0
147.11668	3.7
149.09625	4.1
149.13228	3.9
151.07509	1.5
151.11206	1.6
153.05391	2.8
157.10127	2.9
159.08087	2.1
159.11716	2.3
161.05963	2.3
161.09615	2.8
161.13171	1.4
163.07526	1.8
163.11192	3.9
164.39705	1.4
165.05490	5.2
169.10120	1.9
171.11670	1.4
173.09569	3.0
175.07535	2.6
175.11137	2.7
177.05489	7.1
177.09019	7.4
179.03397	7.7
179.06950	6.6
183.11723	1.7
187.07523	1.6
187.11174	2.2
189.05460	3.7
189.12738	1.6
191.07042	2.5
191.10609	7.5
193.12177	2.6
195.10103	1.7
197.04416	3.9
197.09544	1.7
201.05394	2.0
201.09100	5.8
203.06985	2.7
203.10654	3.0
205.04979	1.4
205.08632	1.8
207.06503	100.0
208.06958	1.9
211.13246	4.2
215.07030	4.3
215.10645	2.2
219.06635	1.9
219.10143	11.8
225.07541	20.6
227.10692	1.8
229.08560	12.0
231.10194	2.1
231.13800	2.7
233.11684	1.4
235.09749	1.9
237.11157	3.4
239.14166	1.4
243.10170	12.4
245.11684	11.8
247.09486	7.0
249.14818	3.3
257.15417	3.1
261.11237	5.6
273.15030	1.6
275.13385	1.9
275.16391	8.8
285.14795	8.9
287.16440	3.8
291.15952	4.9
301.86600	1.5
303.04944	14.5
303.15878	84.2
313.21622	1.5
329.17377	36.5
329.21033	2.5
341.20871	3.3
347.18463	3.8
359.22247	2.7
375.21649	3.5
397.27609	9.5
415.28726	6.7
425.26855	58.1
426.27087	1.5
443.28091	17.7
461.28967	9.9
479.30093	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01858	3.3
55.05508	18.4
57.03432	10.1
57.07062	2.2
65.03939	3.7
65.15116	1.0
66.29130	1.0
67.05499	53.2
69.03406	3.5
69.07060	18.3
69.75780	2.2
69.76188	7.2
71.04988	6.6
75.27403	1.0
76.60651	1.2
76.79926	1.0
78.34213	1.1
79.05489	36.8
81.03411	33.2
81.07051	59.2
82.07400	1.3
83.04982	11.6
83.08613	21.1
85.02896	15.3
85.06533	3.4
88.44760	1.1
91.05471	34.7
93.07037	48.7
95.04960	25.5
95.08596	18.7
97.02886	1.8
97.06504	10.0
97.10152	3.0
99.08104	2.7
105.03371	1.4
105.07021	20.2
107.04962	4.6
107.08585	22.6
109.06512	5.8
109.10148	4.6
111.08080	8.8
113.05991	2.5
115.05452	1.4
117.06998	6.5
119.08567	16.2
121.06498	3.6
121.10132	17.2
123.08088	2.7
123.11716	2.3
125.09612	2.2
129.06976	6.7
131.08566	16.2
133.06485	3.1
133.10135	10.3
135.08054	1.5
135.11699	6.3
137.09639	1.3
142.07793	1.8
143.08578	2.3
145.10130	2.8
147.08054	2.3
147.11665	8.7
149.09639	5.0
149.13239	22.0
155.08513	1.2
157.10101	10.0
159.11699	8.0
161.09644	1.3
163.11151	1.7
165.12779	1.9
173.09737	1.2
175.11174	9.6
177.09073	1.1
177.12781	5.8
189.11249	1.5
191.47429	1.1
193.12238	34.3
195.13779	6.0
201.46382	1.1
207.06653	2.0
211.13269	47.3
213.14929	1.6
227.12798	1.5
229.05067	1.5
236.11702	1.3
249.33636	1.3
267.15887	11.4
269.17398	11.9
303.04993	13.6
321.17194	1.3
329.06067	1.5
352.06018	1.4
369.24280	2.6
387.25259	6.6
417.26456	1.4
443.27847	2.1
461.28961	17.1
479.30057	100.0
480.30457	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96040	0.6
53.03931	1.7
55.01859	1.3
55.05505	1.2
57.07056	2.4
61.54613	0.7
65.35459	0.7
67.05481	3.2
69.03411	1.4
69.07061	9.4
71.04984	1.2
71.81858	0.9
79.05475	2.7
81.07037	4.1
83.01330	1.8
85.06548	1.2
91.05472	2.2
93.07032	8.5
95.04958	4.7
95.08591	2.7
96.80254	0.7
98.11337	0.7
105.03381	38.9
105.07018	2.5
107.08580	5.6
109.10114	4.3
119.08564	1.8
121.06478	2.7
121.10111	1.6
123.11719	1.3
129.03337	0.9
133.10118	1.2
133.18834	0.7
135.11687	6.7
137.02359	1.8
141.01813	1.5
145.10049	1.3
147.11691	1.2
149.16011	0.7
151.03844	2.8
153.05431	1.4
155.03368	2.1
161.06021	1.0
165.05496	2.8
167.03374	3.6
167.14297	0.8
173.09625	1.0
177.12794	1.1
179.03371	32.4
179.06996	2.2
180.03821	0.9
189.05440	1.6
191.10591	1.2
193.03178	0.9
193.04945	19.5
197.04428	20.9
203.07091	1.7
206.63776	0.7
207.06528	2.2
211.05954	2.4
217.04962	2.6
219.10130	1.9
221.08159	0.9
229.04849	1.4
231.06538	0.8
231.10118	1.6
235.05908	1.9
240.19681	0.9
245.08092	10.7
257.08044	34.3
263.09042	0.7
267.10037	1.3
271.09634	17.9
281.07916	1.2
287.16394	8.8
295.09610	13.8
303.04932	4.2
309.11322	1.2
323.12744	18.7
329.17313	1.8
347.18610	1.5
377.17355	1.2
379.19003	100.0
380.19434	4.1
391.19046	6.5
393.17014	2.4
411.21729	1.1
443.28036	1.7
447.25082	1.0
461.28357	0.9
479.28525	2.2
479.38754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66769	1.1
53.03933	1.6
55.01870	2.0
55.05505	9.3
57.03444	4.9
57.07067	2.3
65.03951	1.5
67.05495	22.3
69.03431	3.7
69.07064	7.9
69.81084	2.2
69.81486	6.8
71.04976	6.5
71.81200	1.0
73.02917	1.3
77.03986	0.9
79.05483	15.6
81.03413	9.3
81.07050	24.1
83.01302	1.1
83.04965	5.2
83.08604	6.1
85.02891	6.9
85.06549	3.9
91.05467	19.6
93.07037	24.4
93.07596	1.7
95.04958	8.1
95.08596	13.4
97.02927	1.2
97.06539	3.3
97.10169	2.2
99.08063	1.3
103.05477	1.3
105.03391	5.9
105.07027	15.5
107.04979	3.3
107.08575	12.5
107.09241	1.0
109.06550	4.3
109.10131	4.9
111.04493	1.2
111.08064	5.0
113.06030	1.8
115.05430	1.5
117.06982	5.8
119.04926	1.4
119.08549	11.4
121.06505	5.2
121.10133	13.4
123.04495	1.1
123.08041	4.8
123.11743	2.9
125.09681	1.7
129.06970	4.9
131.08565	9.8
133.06566	1.8
133.10110	9.7
135.08093	4.1
135.11716	3.7
137.02373	4.1
137.06004	1.0
137.09602	4.5
139.07549	1.4
139.11209	1.0
141.05438	1.0
141.07022	1.9
142.07803	1.8
143.08583	1.7
145.06526	1.7
145.10155	4.0
147.08092	2.7
147.11688	5.3
149.09625	5.0
149.13234	5.5
151.07478	1.1
151.11230	2.2
153.05464	1.3
155.08614	1.8
157.10158	5.3
159.08109	4.1
159.11659	4.6
161.09737	1.7
163.07690	2.5
163.11197	1.3
165.01920	1.2
165.05540	1.1
165.09164	1.4
165.12820	1.1
169.10182	1.5
173.09593	6.8
173.13344	1.4
175.11148	7.1
177.09171	4.3
177.12796	2.9
181.08662	1.4
181.10129	1.7
183.04501	0.9
183.06677	1.0
183.11774	2.3
185.09720	1.6
185.13312	1.2
187.11192	1.3
189.09163	1.0
189.11267	1.1
191.10692	2.0
193.10463	1.9
193.12212	9.8
195.11737	1.3
195.13835	2.2
197.06102	1.9
197.09723	1.5
197.13303	1.2
199.11343	1.9
201.09192	2.1
203.03357	5.6
203.14493	1.0
205.08586	8.6
207.11734	1.7
209.09669	1.5
209.13403	1.5
211.11360	1.5
211.13370	8.5
213.12939	1.3
219.10100	5.6
223.09541	8.8
223.11464	0.9
223.14845	1.3
225.05569	2.4
225.12848	2.0
227.10838	1.4
227.12703	1.4
228.04251	1.7
229.01418	1.2
229.04984	1.3
229.12276	1.2
231.13789	1.2
237.11023	6.1
239.14453	1.1
243.06709	4.3
243.13867	1.2
247.02345	7.1
247.06261	1.3
249.16730	1.4
251.14340	6.2
251.18207	1.0
253.04944	2.4
253.12355	1.4
263.14349	1.1
265.12161	1.2
265.19589	1.1
267.16055	4.2
269.17679	3.0
271.05981	100.0
271.13367	2.3
272.06387	8.1
277.15570	1.0
283.13235	1.2
289.14209	8.5
293.18961	9.3
303.04944	31.1
304.05435	2.1
307.15366	40.7
311.20349	1.9
323.16687	1.1
333.22382	1.2
335.23654	1.1
339.20004	1.4
341.21240	1.4
351.23303	2.2
359.22290	2.3
363.22952	4.7
369.24435	2.2
381.24121	2.1
383.22723	1.5
387.25375	2.7
391.22818	1.6
391.79803	1.0
403.01376	1.0
409.24286	1.2
425.23010	19.5
426.23734	1.7
427.24741	22.8
427.30179	1.4
443.28146	3.4
445.25876	6.2
461.29599	10.0
466.13159	1.2
470.14200	1.0
479.30182	31.9
479.37778	1.8
480.30582	1.2
490.66364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99960	3.8
50.00173	3.5
50.67810	3.8
51.02396	3.2
53.03930	3.9
55.05494	12.9
55.40263	4.2
57.03435	4.4
57.07064	21.3
65.03928	5.5
67.05494	33.2
69.03426	8.4
69.06686	7.7
69.07058	100.0
69.88908	9.7
69.89338	17.0
71.04993	17.9
77.03936	3.9
79.05494	21.5
81.03422	6.3
81.07048	55.3
83.01334	9.4
83.04979	4.7
83.08627	5.2
85.02901	10.9
85.06520	7.0
85.26310	3.5
91.05463	33.1
93.07037	77.4
95.04939	27.6
95.08569	25.8
98.21420	8.0
99.04439	6.3
103.05460	5.3
105.03350	9.9
105.07014	39.5
107.08570	24.9
109.06512	24.8
109.10136	14.6
109.61997	3.8
111.11687	5.2
113.06039	6.9
115.05431	3.5
117.06992	5.8
119.08591	19.9
121.06511	12.7
121.09389	4.2
121.10121	22.9
123.08058	15.4
123.11671	6.0
127.07532	3.9
128.06175	5.3
129.06931	4.3
130.90781	4.4
131.08572	13.4
133.06477	11.2
133.10129	17.7
135.08032	15.0
135.10736	4.3
135.11639	21.3
137.05925	6.1
137.09604	11.6
139.07553	4.3
139.11125	5.7
143.08533	9.9
145.10110	24.1
147.11658	19.6
149.06093	5.2
149.09602	13.5
149.91312	3.6
151.07513	9.2
151.11182	6.2
153.01863	3.8
153.05450	10.0
157.10097	10.6
159.08084	9.2
159.11731	10.5
161.09645	12.0
162.07932	3.8
163.07542	10.5
163.11179	11.0
165.01852	4.5
165.05522	9.2
165.09209	4.4
167.06976	5.3
167.10677	6.8
169.05005	19.4
169.06230	4.7
171.08023	61.3
171.11658	4.4
173.09589	39.8
174.10004	4.9
175.07559	10.4
175.11140	24.7
177.05470	8.2
177.09096	11.8
179.03424	4.5
179.06987	16.0
183.11661	7.5
185.08150	5.0
185.09637	9.3
185.13248	5.4
187.11092	4.5
189.09187	12.3
191.06989	26.9
191.10655	15.0
193.08485	4.9
193.12123	4.2
195.06555	5.6
195.11786	4.6
195.13701	4.9
197.08025	7.3
201.09099	12.4
201.12746	11.2
203.07080	6.4
203.10674	17.0
203.14412	4.7
205.08611	17.1
207.06517	8.5
209.08049	11.1
209.13380	5.6
211.11227	8.0
213.09109	11.0
217.08595	4.1
219.10072	37.6
221.11508	5.2
223.09583	23.3
225.12726	4.7
229.08678	6.2
229.12222	14.3
231.10039	24.0
233.11734	5.7
235.13222	6.5
237.11110	8.6
240.19591	8.0
243.13815	15.1
245.11716	5.0
247.09685	11.6
247.13438	7.7
249.11151	47.1
253.10289	4.3
253.12529	5.9
257.11835	4.2
265.12491	5.4
267.12097	18.1
271.13269	16.3
283.13251	33.9
283.67441	4.2
287.12869	10.7
289.14355	5.7
291.15942	13.1
299.12662	6.7
299.16428	5.9
301.14508	7.7
303.04926	57.9
305.15491	9.5
321.17020	5.0
323.16571	28.2
329.17435	12.6
335.18781	8.7
336.16306	4.1
341.17459	65.9
341.21198	6.8
357.20508	5.9
359.18359	49.4
359.21844	5.1
363.22855	6.1
373.21368	10.5
375.17459	4.3
375.21881	5.2
377.19449	14.2
391.21881	11.6
393.19064	76.2
397.23605	5.9
409.23544	15.2
411.19711	7.9
425.27502	19.4
427.24747	13.0
443.27838	15.3
461.25073	56.9
479.25479	3.5
479.30612	7.2
479.37912	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	479.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.05509	0.7
57.07073	1.9
67.05496	2.7
69.03412	0.6
69.07059	5.1
69.71947	1.9
69.72359	0.8
71.01333	0.5
73.02906	0.3
74.09690	0.4
78.85115	0.3
79.01860	0.3
79.05487	1.6
81.03358	0.5
81.07045	2.2
83.01335	1.0
83.04947	0.6
83.08555	0.6
85.02873	0.9
85.06540	0.5
91.05444	1.4
93.07045	2.8
95.04945	1.0
95.08583	1.4
98.21463	0.3
104.18933	0.3
105.07018	1.3
107.08584	2.6
109.06485	0.8
109.10136	1.5
111.08042	0.3
111.82034	0.3
119.01600	0.5
119.08595	0.7
121.02863	0.4
121.06506	0.5
121.10114	1.7
123.04385	0.6
123.08067	0.8
123.11716	3.3
133.10078	1.0
135.04379	0.5
135.11668	4.0
137.02277	0.6
137.05945	2.7
141.01836	0.8
141.05373	0.3
144.64015	0.4
144.98833	0.3
145.10149	0.5
151.03899	1.3
151.07553	0.6
153.01750	0.6
153.05406	0.6
155.03371	0.3
159.08017	0.5
161.05962	2.0
161.09508	0.4
165.05447	3.6
173.09662	0.4
177.05460	0.5
177.09030	0.7
179.03381	9.6
179.06984	5.9
179.08469	0.7
189.05476	0.8
191.10597	0.6
193.12218	0.5
195.06519	1.2
197.04439	3.8
203.06868	0.4
205.04909	0.7
207.06502	100.0
208.06847	3.0
211.13249	0.6
217.08566	0.5
219.06601	0.4
219.10123	1.2
221.08083	0.5
221.11678	1.0
225.07576	0.3
229.08533	0.8
235.09663	1.3
243.10367	0.3
245.08070	0.7
247.09576	0.8
267.15543	0.4
275.12756	1.3
287.16348	1.0
289.14404	0.9
303.04950	7.8
303.15878	2.6
304.05283	0.8
327.15704	0.5
329.17432	37.9
330.17804	2.1
341.17499	0.6
347.18457	4.4
375.21716	0.4
397.23544	2.9
409.23724	0.4
415.24896	1.2
425.26755	2.1
443.27997	1.0
461.28574	1.2
479.29794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
55.05503	6.6
57.03423	1.7
65.03918	1.4
67.05497	11.1
69.03404	2.0
69.07062	23.8
71.20272	2.1
71.20617	2.7
78.35411	1.3
79.05463	5.6
81.03390	2.3
81.07040	14.6
83.01324	4.2
83.04961	1.9
83.08574	2.6
85.02881	2.5
85.06544	2.3
91.05466	11.2
93.07036	11.8
95.04963	13.7
95.08589	16.6
97.06542	1.9
97.10140	1.4
105.03380	100.0
105.07012	12.1
107.08588	14.3
108.80722	1.2
109.06469	2.6
109.10122	3.9
109.57340	1.4
117.06980	1.5
119.08559	5.4
121.06510	2.5
121.10116	5.6
123.08048	5.9
123.11673	1.5
125.09648	1.6
129.03326	7.3
129.06975	1.7
131.08533	3.0
133.10118	11.0
135.11720	2.8
137.02348	1.9
137.09598	1.9
141.01782	1.9
143.08551	2.1
145.10085	4.9
147.11674	2.1
149.09604	1.7
151.03844	2.3
153.01807	1.6
159.11703	1.3
163.03755	1.6
169.04944	1.6
169.10136	1.5
171.08060	1.8
173.09599	10.7
175.07414	1.4
175.11230	6.4
179.03368	39.0
183.11620	1.4
186.30235	1.3
191.10510	1.3
193.04904	2.7
193.12245	2.3
197.04428	21.0
197.13268	2.4
205.04938	2.8
211.07497	3.5
211.11259	1.4
211.13191	2.3
213.05400	1.5
213.09154	1.3
219.09996	2.7
223.05959	1.6
229.04970	2.2
231.97423	1.3
239.06984	5.1
240.19621	1.7
243.06445	4.2
243.13771	3.1
257.08069	44.4
263.10706	2.2
267.11710	3.1
271.09488	1.5
271.13327	2.0
281.11496	6.4
282.14053	4.0
283.09607	6.0
285.11157	2.7
297.16324	13.4
299.12787	6.9
303.04932	11.1
325.15823	5.1
335.12778	6.0
337.14224	2.6
338.27710	12.9
341.15353	4.3
351.15854	2.1
357.14450	1.7
357.18561	2.6
357.46487	1.6
359.16293	21.0
371.16449	11.6
375.15979	1.7
377.17422	67.2
378.17624	2.2
393.17847	1.9
395.11191	6.0
399.23047	1.8
407.37534	1.5
409.21552	34.4
409.29877	1.5
411.18002	27.2
427.22253	3.1
445.23761	2.7
461.29291	1.9
479.19812	5.5
479.24445	6.2
479.30200	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	479.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01862	1.8
55.05496	4.0
67.05500	7.4
68.99763	1.2
69.03428	1.4
69.06698	1.3
69.07063	16.1
69.86666	4.6
69.87077	2.6
70.06557	1.3
75.67379	1.3
79.05481	2.6
81.03393	1.2
81.07038	4.1
83.01318	3.1
83.04983	1.4
83.08598	1.9
85.06524	2.3
91.05459	4.8
93.07032	7.8
95.04962	12.2
95.08591	8.4
97.10132	2.0
99.04418	1.3
105.03380	100.0
105.04501	2.6
105.07015	5.0
107.04950	1.1
107.08551	6.5
109.06474	1.8
109.10142	6.1
111.08075	2.0
117.06975	1.3
119.08574	2.7
121.06483	1.6
121.10140	6.1
123.08053	2.3
125.09599	1.3
129.03322	2.6
129.06932	1.3
131.08578	2.5
133.10121	6.5
135.08034	1.9
135.11644	1.5
137.02338	1.3
137.09578	6.8
141.01833	1.9
143.08493	1.2
145.10095	4.4
147.04388	1.4
147.11693	1.6
149.05952	1.5
149.09612	2.0
151.03813	2.5
163.11160	1.7
165.05521	1.7
171.08072	2.1
173.09595	4.2
175.11226	2.4
177.05408	1.4
177.09067	1.1
179.01796	1.8
179.03371	37.0
179.06969	1.4
191.07008	1.2
191.10612	2.5
193.04924	2.6
197.04453	18.9
203.10497	1.4
205.04942	2.7
211.07567	1.7
215.06972	2.6
223.06018	1.2
225.08987	1.3
229.04951	1.4
239.06967	1.6
240.19653	5.6
241.12350	1.4
243.06407	1.4
245.08070	1.9
255.06546	1.6
257.08066	45.5
258.27191	1.5
263.10413	1.1
271.09659	1.5
271.13092	1.4
281.08163	1.6
283.09680	7.5
297.11179	2.6
299.12860	1.4
301.10654	1.9
303.04898	5.1
325.14279	7.5
335.12589	2.4
357.14746	1.7
359.16339	2.2
371.16562	1.9
375.15854	6.3
377.17435	29.7
393.16916	8.2
394.17874	2.5
409.21585	2.7
411.17966	31.8
425.20819	1.7
445.23712	3.1
461.22974	2.8
479.24332	9.8
479.38168	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	479.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38454	0.8
53.03941	5.0
53.59077	0.8
55.01855	4.0
55.05505	9.3
56.05812	1.0
56.56821	0.8
57.03414	3.9
57.07060	2.0
59.04990	3.7
65.03911	1.3
66.88908	0.8
67.05498	18.2
68.05818	1.1
68.99782	1.4
69.03425	5.8
69.06683	1.2
69.07060	17.2
71.01336	3.3
71.04984	4.8
73.02904	3.0
79.05481	15.9
81.03409	13.4
81.06600	1.5
81.07046	17.7
82.61447	0.9
83.01328	4.1
83.04980	6.3
83.08617	5.8
85.02900	18.2
85.06513	3.5
91.05470	19.2
93.07037	17.0
94.07393	1.3
95.01293	2.0
95.04962	10.3
95.08597	10.9
96.05280	1.2
97.02881	12.9
97.06508	3.2
97.10160	5.1
98.21404	2.1
99.04442	11.3
101.09648	1.0
103.03941	12.4
103.05421	2.3
105.03380	9.5
105.07020	16.0
107.04917	5.9
107.08578	11.0
109.02859	15.0
109.06513	6.2
109.10146	5.8
110.06819	1.0
111.04438	2.9
111.08078	2.1
113.02348	2.6
113.06013	2.2
115.03916	2.3
115.05431	2.7
116.06245	1.3
117.06996	5.7
119.04906	2.8
119.08569	11.2
120.08890	1.2
121.02867	2.5
121.06493	6.3
121.10129	8.3
122.24516	0.8
123.04424	4.2
123.08053	3.5
123.11662	2.1
125.05977	2.4
125.09607	2.6
127.03902	8.9
128.06190	2.6
129.07007	8.5
131.03392	2.7
131.04883	2.7
131.08566	10.3
133.06467	4.5
133.10100	6.6
135.04410	2.6
135.08061	6.6
135.11659	2.7
137.02315	5.5
137.05946	4.0
137.09604	3.2
139.03870	3.4
139.11125	1.0
141.01819	1.1
141.06953	2.6
143.08540	3.1
144.05678	2.0
145.04897	2.0
145.06470	5.5
145.10126	5.3
147.04388	5.7
147.08054	4.8
147.11670	5.4
149.06003	5.1
149.09622	5.0
149.13165	1.8
151.03893	2.4
151.07523	2.0
151.11154	1.8
152.04678	1.8
153.01813	3.5
153.05461	4.7
155.05965	1.0
155.08546	2.2
157.06483	4.6
157.10120	3.9
159.02953	1.6
159.04399	3.8
159.08064	8.3
159.11638	2.7
160.05174	1.0
161.05974	9.4
161.09616	3.9
163.03838	3.9
163.07520	3.9
163.11195	3.6
165.01863	1.9
165.05473	7.9
165.09135	1.8
165.36263	0.9
167.10733	1.3
169.06406	1.8
169.10075	2.2
171.04366	1.3
171.08040	3.4
171.11603	1.7
172.05222	1.7
173.06003	5.3
173.09590	3.8
173.13271	1.6
175.03882	2.1
175.07552	6.6
175.11198	2.7
176.04745	1.2
177.05484	9.3
177.09093	1.7
177.12630	1.0
179.03380	2.1
179.06955	1.8
179.10663	1.6
183.11639	1.6
185.05936	2.9
185.13206	1.0
187.03885	2.4
187.07523	13.2
187.11087	1.1
188.07901	1.2
189.05434	10.3
189.09088	1.6
190.06197	2.6
191.03415	1.1
191.07014	10.1
191.10651	2.1
191.14169	1.2
193.10146	1.9
193.12209	3.0
195.11697	1.4
197.05969	2.4
197.13263	2.1
199.03857	1.8
199.07538	1.5
200.04662	2.0
201.05412	7.0
201.09039	1.3
201.12706	1.2
203.03386	1.1
203.07031	7.0
203.10378	1.1
205.04939	12.6
205.08624	7.1
207.06496	18.7
207.10133	2.7
209.11523	1.2
211.11290	1.6
211.13280	2.7
213.05576	2.1
213.09164	1.6
213.12805	1.7
215.03500	1.2
215.07002	20.6
215.10495	1.2
217.04913	16.2
217.08403	1.1
217.15773	1.1
218.05650	2.2
219.06516	13.9
219.09972	1.7
219.13702	1.5
221.11665	13.0
223.09488	1.9
227.10548	1.5
227.12587	2.1
228.04137	2.2
229.04893	7.0
230.05650	3.0
231.06483	4.3
231.10110	1.9
233.08051	14.4
233.11623	2.1
235.09592	3.4
239.10756	1.8
240.19524	1.5
241.08482	1.4
243.06516	30.6
243.15952	1.8
245.11668	2.0
245.15352	1.1
246.05244	7.0
248.06805	2.2
249.07455	7.8
257.04407	3.7
257.07962	1.4
259.13165	1.9
261.07556	100.0
261.10959	3.2
262.07880	2.4
263.12888	1.4
267.10144	3.2
267.16013	1.6
271.13367	4.7
271.15994	0.9
275.12723	4.2
279.08597	32.0
281.14090	1.7
285.11160	2.7
289.14340	4.7
295.16818	1.3
299.12756	33.5
299.16110	1.7
302.11496	2.0
303.04965	92.1
304.05423	8.1
307.15396	1.6
313.17896	1.9
317.13794	83.1
318.14084	3.2
321.09665	1.8
323.12677	2.2
335.14764	7.5
337.17798	1.4
343.11703	1.7
351.17935	5.1
351.22714	2.2
355.19049	6.0
361.12482	1.5
369.09848	1.4
369.23877	3.7
373.20065	2.4
377.15720	1.5
387.10669	3.3
387.24817	5.6
391.21045	1.2
395.22055	1.3
405.11838	9.8
405.25659	1.7
407.22021	2.6
417.26010	1.1
423.12900	21.8
425.23096	5.6
443.23590	9.9
461.24628	5.7
461.28555	6.8
479.18964	2.4
479.29257	13.5
479.37781	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	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07423	0.7
55.01871	4.1
57.03429	1.7
65.03931	1.0
68.63272	0.7
68.99768	4.0
69.03421	14.5
69.65607	6.4
70.06578	1.5
71.01330	1.4
73.02901	1.7
74.66171	0.7
79.05466	1.3
81.03403	4.2
81.07010	1.3
83.04939	1.0
85.02898	25.1
91.05457	2.7
93.03409	0.8
93.07025	1.2
95.01293	1.1
95.04941	1.7
97.02882	45.9
98.21467	1.5
102.71938	0.8
103.05467	1.2
105.03363	2.5
105.06964	1.0
107.04966	3.8
111.00777	2.0
111.04391	1.1
113.02333	1.8
114.77348	0.8
115.03896	3.2
119.04905	2.2
121.02850	9.9
123.04385	1.4
127.03902	15.3
129.05440	0.7
131.03368	1.4
131.04964	0.8
135.04393	2.1
137.02321	39.4
139.03897	1.6
141.01826	2.1
145.10149	1.0
147.04385	3.2
149.02324	1.1
149.05927	0.8
151.03943	1.1
153.01808	30.1
157.04968	11.5
157.06360	1.3
159.02873	1.1
159.04381	1.2
161.02342	2.7
161.06003	1.4
163.03906	13.7
165.01811	10.6
167.03404	2.2
171.02872	5.7
175.03859	4.9
177.01807	3.3
177.05478	4.1
179.03362	3.3
183.02841	6.7
187.03886	3.0
189.01788	3.7
189.05492	2.0
190.02597	1.5
191.03372	5.3
193.04961	0.9
197.06042	1.0
200.87448	0.9
201.05450	1.8
203.03358	18.7
203.07080	0.9
204.03630	0.9
205.01321	0.9
205.04935	3.1
207.02847	4.6
213.05447	1.3
215.03362	6.3
217.07062	8.5
219.02834	1.5
221.04453	3.3
223.02319	1.3
225.05429	2.2
229.04883	4.5
231.02864	29.2
231.06432	8.4
233.04414	9.9
243.06461	1.2
249.03903	12.6
251.05510	2.5
253.04967	5.8
255.06447	0.9
257.04391	8.7
263.05557	4.6
267.06433	1.0
271.05939	3.6
273.03931	1.7
275.05527	8.6
281.04428	6.3
285.03836	2.5
287.05493	1.4
295.05966	2.6
299.05392	5.9
300.05801	0.7
303.04968	55.2
304.05350	2.5
313.03650	1.5
313.06967	6.2
317.06497	7.4
317.09988	1.2
323.05441	5.1
329.06586	1.7
341.06516	100.0
342.06799	2.5
359.07587	14.9
367.52606	0.8
387.12512	0.8
401.08804	3.6
461.10742	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	479.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
63.95627	0.8
68.99791	2.0
69.03054	1.8
69.03419	25.3
69.57891	9.7
69.58243	1.1
76.50092	0.9
81.03398	2.1
85.02925	2.1
85.81370	0.9
91.05446	1.1
93.03390	1.0
97.02880	100.0
101.22639	1.1
107.04902	0.9
115.03947	2.2
119.04993	1.2
121.02874	6.9
127.03944	4.6
135.04356	0.9
135.33986	1.1
137.02322	17.8
139.03903	2.1
141.01817	1.1
147.04405	1.3
153.01808	20.8
157.04945	10.5
161.02361	1.1
161.39702	0.9
163.03900	3.2
165.01794	11.0
175.03912	3.0
177.01778	1.7
177.05476	1.6
179.03418	1.3
183.02850	6.0
187.03929	1.8
189.01860	2.7
189.24069	1.1
191.03372	1.8
197.06010	1.1
201.05511	1.0
203.03389	8.5
205.04970	2.1
207.02890	1.3
215.03323	7.8
217.07095	2.4
231.02873	20.0
233.04459	4.4
249.03973	3.4
253.04936	3.0
257.04544	4.7
263.05450	11.5
273.04034	2.8
275.05472	20.6
281.04343	5.0
287.05539	1.4
299.05493	1.2
303.04984	4.8
313.06998	2.3
323.05524	2.9
329.06503	1.8
341.06525	61.8
342.06848	2.7
359.07602	3.0
401.08551	3.7
417.99515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01860	1.3
56.67529	0.6
57.03425	2.1
61.02916	0.7
68.76559	0.6
68.99760	2.1
69.03420	9.0
69.91891	4.3
70.06571	0.6
71.01365	3.3
73.02909	5.2
81.03381	1.6
85.02897	74.2
91.05473	0.7
92.74741	0.7
93.03371	1.0
95.01307	2.0
97.02880	38.3
99.00742	0.8
107.04958	3.4
109.02882	1.0
111.00773	1.3
111.04385	0.7
113.02393	3.3
115.03922	15.6
121.02848	6.3
127.03905	16.2
131.03392	2.0
135.04384	1.0
137.02333	18.7
139.03874	2.1
141.01804	1.9
147.04378	1.4
149.02365	0.8
151.03958	0.8
153.01805	14.8
157.04955	25.4
159.02809	1.5
163.03864	2.0
165.01826	6.5
175.03882	2.0
177.01831	2.9
179.03377	1.9
181.01286	2.2
183.02872	3.1
187.03925	1.1
189.01849	1.6
191.03412	3.1
193.04889	0.6
195.02892	2.4
201.05452	2.1
203.03333	5.0
205.04955	1.1
207.02820	1.4
215.03351	2.1
215.13478	0.7
217.05025	0.9
217.07007	9.2
219.02884	1.9
221.04555	1.0
223.02231	0.7
225.05380	0.9
228.13824	1.0
228.63986	0.7
229.04916	3.7
231.02829	8.0
233.04491	1.8
237.14325	0.8
237.64484	2.3
245.04375	0.7
246.14821	4.3
246.65034	7.2
247.15198	1.4
249.03990	3.1
253.05037	1.4
255.02718	0.6
257.04440	3.7
263.05472	10.1
273.03979	1.5
274.04605	1.0
275.05499	3.7
281.04449	1.5
285.04156	1.5
287.05493	4.7
295.06110	0.7
299.05457	2.3
301.07184	0.6
303.04962	100.0
304.05365	4.8
311.05099	0.7
313.07159	1.3
323.05414	1.0
329.06396	2.8
341.06516	15.0
359.07620	3.1
371.07303	0.6
380.03241	0.6
478.33322	0.9
479.34079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0813
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
54.53318	0.2
57.03411	0.7
59.24933	0.2
59.37752	0.3
66.18955	0.3
68.99778	0.6
69.03415	0.6
71.01351	1.6
71.24002	0.6
71.24384	0.3
72.43049	0.3
73.02906	3.3
73.22473	0.3
81.03423	0.3
85.02893	7.5
92.02122	0.3
95.01307	0.9
97.02876	0.6
99.00763	0.5
101.02359	0.6
103.03896	0.4
103.55984	0.3
109.02891	0.4
111.00802	0.5
113.02354	3.6
121.02828	0.6
131.03378	2.1
134.96513	0.3
137.02315	2.5
141.01797	1.1
143.64888	0.2
153.01813	3.0
159.02852	2.0
161.05901	0.3
163.03902	0.5
165.01808	1.4
168.08414	0.3
183.02835	0.5
187.54547	0.3
201.05452	1.0
229.04936	3.3
247.05977	0.7
257.04388	2.0
274.04291	0.3
285.03894	1.2
303.04953	100.0
304.05353	1.7
410.59906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.73365	1.5
55.01857	5.7
55.05489	2.9
57.03429	49.8
59.04993	3.0
61.02913	18.8
67.05499	3.0
69.03049	2.6
69.03421	50.2
69.78986	8.7
69.79397	2.9
71.01362	8.1
73.02908	100.0
75.04457	5.3
79.05474	6.1
81.03399	7.1
81.07034	6.3
82.77516	1.4
83.04987	2.3
85.02894	78.2
87.04444	7.0
91.03933	3.3
91.05467	4.5
93.07034	38.2
95.04917	4.9
95.08594	3.5
97.02882	95.7
97.06506	2.1
97.10146	1.7
98.20759	1.9
99.04433	4.3
105.07018	6.1
107.08568	9.2
109.02859	6.7
111.08057	6.6
115.03918	74.5
117.07018	2.0
119.08583	3.4
121.10132	83.9
122.10507	2.2
123.08067	3.0
125.06001	2.4
127.03911	27.4
132.06516	1.7
133.04947	30.6
133.06526	2.2
133.10077	2.5
139.11153	21.0
143.08505	2.6
144.06541	6.2
145.04942	36.2
145.10144	3.0
149.09601	7.7
150.07576	3.6
162.07579	3.8
163.05988	13.6
167.10666	35.3
179.10533	1.8
180.08662	4.6
191.10713	2.7
193.04988	2.4
218.24266	1.7
222.27576	1.9
223.05981	6.7
241.07144	10.8
245.11737	2.4
259.08112	7.4
263.12747	2.0
281.13766	5.8
294.11758	2.5
303.04773	3.5
311.14896	2.8
336.66562	1.8
375.76443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35942	7.3
55.05490	14.0
57.07068	100.0
57.57115	6.8
67.05505	16.0
69.07050	31.5
71.04977	11.1
72.07829	7.1
79.05490	15.1
81.07048	44.7
84.17288	7.4
85.06538	17.6
91.05499	11.2
93.07027	40.7
95.04987	9.7
95.08587	60.9
97.10146	8.3
98.20919	48.8
98.41480	7.3
105.03387	11.3
105.07008	16.6
107.08574	47.0
109.06534	11.4
109.10136	43.9
110.88125	7.3
113.09647	31.8
119.08588	25.3
121.10143	29.6
123.08049	17.0
124.03589	8.0
133.10156	21.9
135.11681	55.8
137.09619	28.3
144.09052	7.8
145.10118	21.7
147.11667	10.1
151.11307	8.7
153.12682	11.7
159.11638	12.6
161.09557	8.3
165.05434	13.6
165.09056	7.7
169.10190	9.3
171.11710	10.3
173.09604	27.0
177.09149	9.7
189.08969	7.3
201.09244	8.2
204.15036	7.5
205.08676	12.8
213.04970	7.5
215.18013	9.1
219.10143	7.9
220.16849	7.9
221.11557	13.0
223.09598	15.5
229.59671	8.0
239.18474	10.7
240.19650	9.2
257.22601	14.3
271.90854	9.7
273.22220	12.4
292.09750	7.8
301.21466	20.7
303.04868	25.2
311.19824	7.4
313.21832	8.2
317.17722	8.3
341.21133	12.5
355.19150	9.7
357.20181	8.8
358.20724	13.4
359.22214	15.9
407.25806	24.7
425.22717	7.3
425.26993	67.4
443.28445	44.6
478.37054	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01870	12.1
55.05501	1.7
55.98779	1.4
57.03431	28.4
59.04997	2.5
61.02917	20.8
62.16660	1.3
67.05504	1.7
69.03422	49.5
70.37244	5.1
71.01345	5.0
71.04979	3.7
73.02909	97.4
75.04472	1.5
79.05492	6.7
81.03397	8.2
81.07030	4.7
83.05003	1.7
85.02896	100.0
87.04459	6.9
91.03955	4.3
91.05477	4.4
93.07034	26.5
95.04949	3.5
95.08597	3.7
95.68188	1.5
97.02882	81.5
98.20773	1.9
99.04440	4.3
103.03933	3.9
105.07024	6.1
106.97838	1.4
107.08576	5.3
109.02879	9.0
111.04454	2.2
111.08047	2.6
114.02328	1.5
115.03914	52.5
119.08554	3.2
121.06532	1.9
121.10134	41.0
121.10983	2.9
123.08066	2.6
125.05952	2.0
127.03900	36.1
129.07033	1.7
131.08530	2.8
132.06497	1.6
133.04950	56.3
133.10110	1.8
139.11201	8.4
143.08595	2.5
144.06592	4.0
145.04938	45.5
145.06097	2.4
145.10141	2.3
146.78305	1.3
149.09608	5.1
150.07661	4.0
156.06631	1.4
157.10130	1.4
162.07657	2.9
163.06012	17.3
167.10646	14.4
171.08015	1.5
175.11111	1.8
180.08691	3.5
189.09132	2.5
191.10632	2.5
193.04990	1.7
199.06039	3.3
199.09544	1.9
199.11200	2.0
203.10632	1.4
215.10765	1.8
217.06978	1.5
217.12311	2.4
223.05905	7.1
227.10696	2.3
232.51685	1.4
233.11591	2.9
241.07115	6.9
245.11694	11.8
253.14268	2.1
259.08087	10.4
263.12845	4.6
276.10730	2.5
277.09219	3.7
281.13934	6.9
294.11929	2.3
303.04968	8.4
400.09924	1.5
460.27560	1.7
473.38901	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3207
Annotation	Polyporusterone C
Peak:m/z	Relative Intensity
55.05497	2.6
57.07072	8.3
65.92344	0.8
67.05497	2.9
69.03424	1.1
69.07061	20.4
69.63405	8.3
74.11325	1.2
79.05484	1.6
81.07049	3.1
81.45070	0.8
83.01333	1.2
83.04961	1.3
85.06532	3.1
91.05456	2.6
93.07034	11.0
95.04934	1.2
95.08582	3.6
101.31454	0.9
105.06998	2.4
107.08588	7.0
109.06481	1.5
109.10147	4.3
119.08598	1.3
121.06471	0.9
121.10111	2.3
123.11704	3.0
131.08549	2.0
133.10065	1.2
135.08046	1.8
135.11682	10.2
137.05951	2.0
139.03969	1.0
145.10085	1.6
149.09619	1.4
153.05446	8.2
159.11603	1.1
162.06778	1.0
163.07523	2.7
165.05463	15.7
165.37395	0.9
167.07079	1.0
167.10663	1.5
171.11644	0.9
173.09584	1.5
175.07513	1.6
177.05521	1.2
177.09102	3.6
177.12645	1.0
179.07034	14.9
191.06978	2.4
191.10646	3.7
195.10289	1.0
201.09163	1.0
203.06989	3.8
205.08601	8.0
205.12236	2.1
207.10286	1.2
213.09016	1.5
215.10634	2.1
217.08423	1.1
219.06523	3.0
219.10141	20.6
221.11769	1.8
225.11128	1.7
229.12299	1.6
231.10133	9.2
233.11720	10.5
237.11194	17.6
238.17958	2.5
243.10173	1.5
245.11847	1.8
247.70300	0.8
251.12752	13.1
257.11774	7.3
259.13339	2.3
275.12784	15.0
275.16071	1.9
285.14890	5.2
287.16388	74.7
303.15936	9.3
319.19009	10.3
341.20990	8.0
343.22604	3.2
357.20612	2.9
359.22131	100.0
371.22095	9.9
373.19711	1.0
377.23236	3.7
391.25436	1.0
403.25024	1.3
427.28278	4.4
477.28766	3.2
477.36655	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	477.3205
Annotation	Polyporusterone C
Peak:m/z	Relative Intensity
57.03432	2.6
57.07066	9.1
58.27220	1.4
69.07057	12.1
69.80648	3.5
69.81072	7.6
73.06545	2.7
78.83379	1.7
81.07043	4.4
83.01347	3.1
87.11589	1.5
93.07009	4.4
98.21498	2.7
107.08543	3.7
110.13795	1.8
116.24569	1.5
117.49506	1.5
121.10114	1.5
123.11679	15.3
130.78801	1.5
135.08047	2.4
135.11685	9.8
137.05957	3.1
142.13885	1.4
145.10149	2.8
148.33472	1.7
149.09697	2.9
153.05453	4.4
163.07553	4.2
163.11133	2.1
165.05447	85.0
173.09637	2.4
177.09119	9.3
191.10663	6.6
201.09094	2.0
217.08376	2.5
219.07985	3.7
219.10132	71.9
220.10559	1.8
221.11697	45.2
221.13797	2.9
225.11197	2.5
237.11186	100.0
244.39191	1.7
287.16373	43.3
305.17456	22.4
319.18994	5.4
329.48880	1.7
343.22720	7.5
359.22116	44.3
360.22787	2.2
371.22110	10.4
377.22998	3.9
386.07480	1.6
391.24649	4.2
397.22299	1.6
427.28439	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	477.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.5
57.03429	2.5
57.07069	8.4
60.08409	0.8
67.05463	1.4
69.07063	17.7
70.27386	3.2
73.06546	19.8
79.05491	2.3
81.07050	4.4
83.01337	4.4
85.06528	0.9
91.05452	2.5
93.07037	9.6
95.04956	1.4
95.08607	1.6
105.07002	1.8
107.08585	11.8
108.16328	1.0
109.06508	2.3
109.10152	2.2
121.10107	0.8
123.11690	28.7
127.03961	1.7
135.08025	5.2
135.11674	19.1
137.06000	4.5
143.17174	1.3
143.55072	0.9
145.10060	2.5
149.06010	1.3
149.09656	1.8
153.05431	6.7
159.08044	1.0
162.06744	1.2
163.07486	5.7
163.11169	2.3
165.05461	100.0
166.05913	1.0
173.09624	3.6
176.08293	2.0
177.05493	1.1
177.09113	13.7
179.07014	1.7
191.10701	6.9
201.09053	5.3
203.07036	1.0
204.07726	1.6
205.08638	1.6
207.10121	1.8
217.08633	2.1
219.10141	76.0
220.10426	2.1
221.11710	45.8
222.12027	2.3
225.11186	3.7
231.10124	1.1
237.11189	86.9
238.11586	3.3
258.21127	0.9
275.16394	1.6
287.16388	59.7
288.16779	1.8
293.17386	2.6
305.17419	13.9
319.18991	2.1
341.21091	2.9
343.22720	9.6
346.71945	1.0
357.20450	2.2
359.22122	47.7
360.22681	1.5
371.22144	10.7
377.23267	2.9
427.28491	7.4
481.45804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49627	3.4
55.05495	5.9
57.07068	27.2
67.05475	16.2
69.07056	55.5
69.64677	7.7
69.65082	21.0
79.05479	7.3
81.07037	13.5
83.01325	7.6
85.06532	54.6
91.05473	8.7
93.07018	8.3
95.04986	3.5
95.08609	10.0
105.06993	12.1
107.08596	11.1
109.06496	7.9
109.10139	47.5
112.43721	3.2
116.67075	3.3
121.10155	11.4
127.11183	8.2
133.10094	10.6
135.11600	4.0
149.05974	4.4
157.10136	3.2
161.05899	7.6
165.05463	25.9
173.09595	7.7
174.51132	3.1
175.07521	8.1
175.11223	4.9
177.05429	38.6
177.09099	10.3
179.06992	8.1
189.05475	4.6
189.09088	5.7
191.07019	4.6
193.04906	8.0
203.06996	13.2
203.10667	12.4
217.08598	5.4
219.10112	45.2
221.08043	6.8
221.11630	8.9
231.10078	20.6
233.11700	12.6
237.11176	64.7
243.10028	4.7
249.11189	100.0
257.11621	6.3
259.13266	18.6
261.11209	3.6
267.13693	4.3
275.12671	8.1
277.97183	4.6
283.13364	4.4
285.15015	6.7
297.14661	4.6
303.15811	5.5
315.15833	7.7
339.19473	12.7
341.20981	9.3
355.19049	4.2
357.20508	76.0
358.21185	4.4
373.19946	4.7
375.21600	35.8
391.21161	12.2
407.25778	3.6
409.21948	5.3
425.26825	10.1
443.27887	12.2
477.29648	4.8
477.36859	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	477.2841
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
50.38100	1.8
55.01868	10.3
55.05499	37.7
57.03429	13.3
57.07050	2.2
67.05492	37.4
69.03409	5.1
69.07061	11.4
70.47602	1.7
71.04961	4.3
71.19564	2.7
71.19880	3.3
74.01968	2.0
79.05480	45.7
81.03408	47.3
81.07043	35.3
83.04974	7.8
83.08612	22.8
91.05466	34.0
93.07036	27.1
95.04958	29.6
95.05539	3.3
95.08604	19.2
97.06534	4.2
97.10152	29.0
103.05488	2.9
105.03376	2.1
105.07015	22.0
107.04939	22.5
107.08575	26.0
109.06507	10.0
109.10120	12.4
111.08070	7.5
115.05431	3.8
117.06997	13.5
119.04933	3.6
119.08566	17.9
121.06476	22.5
121.10125	8.2
123.04445	3.0
123.08079	7.3
125.09617	23.8
128.06203	2.9
129.06953	13.9
131.04912	6.2
131.08536	18.9
133.06476	12.7
133.10101	6.9
135.04396	3.2
135.08014	9.3
135.11684	4.2
137.09602	2.9
141.07018	4.5
143.08562	8.1
145.06456	17.7
145.10081	10.3
147.08076	7.9
147.11673	11.1
149.09622	8.2
151.07518	2.1
153.09085	3.6
155.08543	6.0
157.06436	2.6
157.10114	8.9
159.08063	6.9
159.11682	4.4
161.09650	5.4
163.11215	7.4
167.08473	2.5
169.10078	4.2
171.08057	6.7
171.11641	3.3
173.09668	4.1
173.13255	3.9
175.07442	2.4
175.11174	7.1
177.12630	2.9
183.08185	4.0
183.11737	2.8
185.09625	5.0
185.13231	4.2
187.11208	3.5
187.14723	2.6
189.09610	3.2
189.11147	16.6
189.12694	3.3
193.12186	22.1
195.11743	3.9
197.09590	2.2
197.13289	3.4
199.11183	4.4
205.12106	2.5
207.11819	2.3
209.13278	2.8
211.11212	3.0
211.13258	6.3
213.12740	4.7
215.14389	4.8
219.13826	2.6
225.12675	2.7
227.12708	13.4
229.15877	2.0
231.13857	2.5
233.15295	13.9
237.12752	2.2
241.12146	2.2
245.15390	3.2
249.14896	4.2
255.13824	2.4
257.04395	2.3
257.15265	2.0
258.04639	3.0
267.15866	45.5
273.14874	9.0
287.16110	2.4
315.11432	2.7
325.39737	2.4
328.65823	2.2
339.23349	5.8
341.21167	7.0
349.21570	12.8
357.24457	9.1
367.22641	39.0
379.74619	2.0
385.23682	59.4
393.11908	2.3
403.24756	24.9
415.24857	5.4
430.29245	2.0
433.25824	26.4
441.26331	10.8
444.75714	2.5
449.29559	3.0
453.24918	2.1
459.27377	100.0
460.27917	3.9
477.28467	71.7
478.28192	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	477.284
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
55.05497	29.8
57.06796	6.3
57.07066	99.6
67.05479	20.5
68.99775	7.9
69.03400	4.8
69.07053	63.0
69.83075	40.6
69.83417	5.6
71.32631	5.3
79.05462	7.7
81.07030	12.7
83.01341	9.1
85.06535	34.6
91.05464	16.0
93.07021	28.2
95.08597	29.0
97.10160	27.5
98.21443	6.8
105.07018	31.8
107.08572	20.1
109.06519	11.3
109.10142	15.5
111.08056	6.2
114.70758	5.6
119.04935	9.8
119.08544	18.2
121.06496	11.2
121.10132	18.9
123.08026	8.6
125.05944	10.5
129.07028	6.4
130.07742	5.0
131.08537	19.1
131.91438	5.1
133.06517	5.0
133.10104	17.8
135.08012	9.2
135.11606	6.5
137.09596	5.8
139.11150	6.1
143.08511	15.7
145.09122	5.6
145.10077	26.7
147.08038	6.4
149.09612	15.7
155.08496	6.3
155.19342	5.4
157.10123	9.3
159.08003	17.0
159.11649	7.1
161.09653	7.0
163.07559	6.4
163.11212	18.5
165.05417	6.1
167.10645	29.7
171.08037	8.5
171.11671	5.8
173.09624	71.6
173.10951	9.5
174.10396	8.8
175.07556	17.6
175.11143	19.4
177.05394	9.1
177.09085	9.3
178.06192	5.0
179.07007	8.2
189.09111	9.6
191.06958	18.0
191.08765	4.7
191.10634	17.3
193.08498	8.9
195.10123	8.3
199.11140	7.9
201.09021	7.7
203.06952	7.2
203.10713	5.5
209.07999	9.0
211.11212	6.3
215.10651	8.0
216.93648	5.7
217.12265	6.8
219.10112	24.3
221.11668	7.0
229.12077	6.7
231.10025	8.3
233.11662	6.3
237.11165	34.7
245.11731	23.6
249.11180	6.1
251.14525	6.1
253.16133	5.9
259.13113	5.6
263.12704	100.0
265.15866	6.6
271.13187	12.8
289.14111	11.1
321.18439	10.5
335.19940	6.1
337.17825	9.2
339.19449	16.3
355.19089	25.6
357.20560	51.4
373.20010	21.9
375.21603	21.7
387.23380	6.0
389.24969	7.1
425.26892	7.0
459.27240	19.4
477.35977	7.0
481.94510	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17039	2.4
53.35361	2.0
54.33740	2.1
57.07067	8.5
57.40285	2.3
67.05508	5.8
69.03426	4.4
69.07056	15.6
69.73876	7.6
69.74301	10.2
71.04995	6.8
79.05486	5.6
81.07046	4.4
83.01332	17.2
89.55861	2.0
91.05460	6.1
93.07053	13.9
94.61057	2.2
95.08585	5.2
105.07018	20.3
107.08585	7.4
109.10130	5.0
119.08570	6.5
121.06488	2.9
121.10130	100.0
123.08080	3.9
133.06456	5.7
133.10124	6.4
135.08043	2.4
135.11699	5.3
137.05936	4.2
145.10095	9.3
151.03865	3.8
159.08032	3.2
159.11566	3.3
163.07568	2.8
163.11185	8.5
165.05458	13.2
171.06549	3.3
171.07983	4.1
173.09615	31.2
177.09047	3.2
179.06998	3.2
183.06442	3.3
183.11646	6.4
187.11131	2.6
188.79346	2.7
191.07147	2.5
191.09100	2.8
191.10684	5.1
195.06471	2.5
197.13287	3.3
201.09074	14.0
203.06987	4.3
205.08591	2.8
207.11609	2.6
211.11140	5.2
213.09087	3.7
215.10661	5.5
219.06523	2.5
219.10165	14.0
220.17003	8.5
221.11702	9.1
225.12677	3.7
228.11472	4.0
229.08588	21.0
229.12117	14.6
237.11156	15.1
238.18123	14.3
240.19522	9.1
243.10246	5.7
243.13814	24.4
247.13283	5.0
253.12250	3.0
257.11749	2.4
261.11148	3.9
267.13947	2.8
271.13254	98.4
275.12766	3.7
280.78748	2.3
285.14740	11.0
289.14322	30.5
303.15939	12.6
311.20126	2.8
315.15878	8.7
315.19543	5.0
317.13779	7.6
319.15298	10.5
339.19543	6.8
341.17337	6.3
341.21106	3.5
357.20523	19.4
359.18530	30.4
391.21057	14.7
477.36899	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	477.284
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
55.05494	3.5
57.07064	55.2
58.07376	1.9
59.04983	3.6
63.11259	1.7
64.46049	1.5
65.22485	1.5
67.05484	3.2
69.07067	2.4
70.09764	10.3
71.25607	1.5
79.05472	2.6
81.07024	7.4
81.91654	1.8
83.08595	4.8
85.06546	10.0
91.05454	4.8
93.07024	5.3
95.08577	8.5
98.21494	1.7
105.00386	1.9
105.07019	4.1
107.08566	8.1
109.06496	6.2
109.10136	9.3
119.08524	2.8
121.06489	3.2
121.10095	7.8
123.08050	9.1
123.11704	8.1
132.90865	1.8
133.10114	2.5
135.04416	4.0
135.11700	8.4
137.05872	1.9
145.06454	2.0
145.10074	4.4
149.05913	1.9
149.09555	3.1
153.05453	1.8
156.09277	2.1
159.08058	2.1
163.07533	1.6
173.05937	2.5
173.09624	6.0
175.07558	3.0
175.11147	1.7
177.05426	12.9
177.09084	5.5
187.11172	2.5
189.05405	8.5
189.09102	1.8
191.07037	2.7
191.10593	5.6
193.08583	2.7
195.10123	3.8
201.05397	3.2
201.09027	8.1
203.07030	2.0
203.10701	2.0
207.06479	15.2
215.06993	6.7
215.10637	4.0
219.10188	17.3
225.07458	23.2
227.10571	2.0
229.08578	9.8
243.10127	24.6
245.11592	9.5
247.09612	6.5
249.14900	2.8
257.15271	3.5
261.11136	12.4
271.13287	3.4
275.16324	7.8
285.14899	11.4
289.93820	1.7
291.15927	3.7
294.20053	1.7
303.15878	100.0
304.16028	5.4
311.16434	2.2
329.17426	3.5
341.21054	7.7
343.19162	2.5
357.20593	3.4
397.27454	13.4
425.26834	57.4
426.27173	3.5
427.25244	1.8
443.27759	6.5
459.27335	10.1
477.28204	2.1
487.54410	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2839
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
50.73209	1.8
55.01849	7.7
55.05242	2.6
55.05502	40.9
57.03427	11.3
59.04984	1.8
61.34001	1.9
65.03945	3.1
67.05490	36.0
69.03407	7.8
69.07062	16.2
71.04977	3.6
79.05035	3.1
79.05479	50.7
81.03404	45.8
81.07040	35.7
82.51214	1.7
83.04958	7.3
83.08604	24.4
85.02908	3.0
85.06535	2.4
91.05463	32.3
93.07027	29.6
95.04956	26.6
95.08584	19.7
97.06510	7.3
97.10152	35.6
97.10744	3.3
105.07001	24.1
107.04929	27.3
107.08572	22.5
109.06506	9.4
109.10124	9.2
111.08054	6.9
115.05435	4.5
117.07016	12.1
119.04926	3.2
119.08577	19.4
121.06487	23.9
121.10143	8.7
123.04391	2.3
123.08040	8.4
125.09621	28.1
129.07013	13.6
131.04912	5.2
131.08540	22.4
133.06505	8.0
133.10117	6.2
135.04320	2.1
135.08028	10.2
135.11685	5.0
137.05940	2.1
137.09645	2.1
141.07037	3.3
143.08539	8.6
145.06450	16.2
145.10078	10.8
147.08040	9.7
147.11635	8.3
148.64220	2.2
149.09618	8.3
153.09081	4.4
153.12698	2.3
155.08560	3.6
157.06493	3.1
157.10071	12.3
159.08044	5.2
159.11639	4.4
161.05907	3.3
161.09612	4.1
161.13161	2.4
163.05788	1.7
163.11205	2.9
169.10123	7.5
171.08051	3.2
171.10204	2.4
171.11659	7.4
173.09616	5.4
175.11179	6.6
177.12733	2.1
181.10124	2.2
183.11681	3.9
185.09641	2.4
185.13300	5.1
187.11172	4.7
189.11220	12.0
189.12810	4.4
193.12196	22.5
195.11725	3.5
197.13289	4.4
199.11223	4.2
206.15704	1.7
211.11227	2.2
211.13206	2.7
213.12776	2.7
215.14351	4.1
219.13785	2.1
223.11244	2.0
227.12646	13.7
231.13892	3.1
233.15353	13.5
237.12794	2.2
241.14268	2.5
243.13959	2.8
245.15393	4.2
247.13362	2.6
249.14780	4.7
257.15375	2.6
267.15845	42.2
271.17007	2.9
273.14752	11.4
287.16104	2.6
323.20151	2.3
339.23184	5.5
341.21130	11.0
349.21567	10.8
357.24161	8.7
367.22626	33.7
368.22980	2.6
375.25211	2.2
385.23666	65.9
398.10791	2.0
403.24719	24.4
403.89670	1.9
415.24756	6.0
433.25800	27.8
441.26199	5.6
441.80154	1.9
459.27325	100.0
460.27731	7.9
477.28427	61.7
478.29065	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	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99899	5.3
55.05492	20.8
57.07072	87.0
59.05001	30.2
59.05251	6.2
60.95932	6.3
63.34018	5.3
64.22694	5.6
67.05487	23.1
69.07063	100.0
79.05463	22.1
81.07047	46.3
82.88213	5.3
83.01366	9.1
83.04973	33.3
83.08597	7.0
85.02831	6.7
85.06538	73.7
91.05473	22.9
93.07039	50.2
95.04952	14.0
95.08595	48.3
97.10114	9.3
98.20675	11.1
99.04446	8.8
105.07031	38.1
105.82917	5.1
107.08581	41.7
109.06509	13.5
109.10135	26.3
110.39458	5.3
117.06966	7.6
119.08564	24.4
121.06488	9.9
121.10113	69.5
122.10914	11.5
123.04441	6.7
123.08052	24.7
123.11675	63.6
123.60642	6.2
125.02335	8.0
125.06017	7.8
131.08553	14.7
133.06378	6.8
133.10077	19.9
135.08064	14.4
135.11662	27.2
139.11189	7.0
145.10118	16.3
147.07944	6.7
147.11667	9.0
149.05998	7.8
149.09541	6.7
151.03830	7.6
153.05424	10.1
157.09988	8.1
157.31027	6.2
159.08055	9.8
159.11705	7.3
161.09596	12.1
163.07495	15.1
163.11095	10.7
164.66292	5.8
165.05458	24.0
167.03395	34.5
167.10686	37.9
171.07964	5.9
173.09624	36.5
173.10907	6.6
173.12961	5.7
175.07489	7.0
175.11159	22.4
177.05415	12.4
177.09077	19.1
177.12764	6.1
179.03389	9.4
179.07024	16.0
181.08591	6.1
191.03400	12.3
191.06978	21.1
191.10622	15.2
195.10127	7.6
203.10577	7.6
205.08641	13.4
207.09979	7.9
209.08057	80.0
210.08865	20.9
211.09521	7.7
219.10153	65.4
220.16922	16.4
223.09634	14.7
229.12195	14.1
231.10121	10.0
233.11687	10.3
235.09647	23.0
237.11172	73.7
238.18018	55.7
240.19633	35.4
251.09100	19.8
251.12743	12.9
252.09735	8.9
253.10667	37.4
255.13766	6.7
257.11752	12.7
261.11115	8.5
263.12686	15.5
269.10040	8.4
275.12714	36.2
283.13025	10.0
287.16443	54.1
289.14252	14.7
301.14441	16.5
303.16061	12.2
305.17389	7.1
311.19928	11.1
315.15921	37.3
319.15436	7.1
319.19205	10.8
331.19006	33.3
339.19434	11.4
341.21268	8.0
355.19101	10.4
357.20612	41.9
358.21368	48.0
359.18396	6.7
359.22141	62.8
373.19943	7.7
375.21765	16.9
391.21130	91.1
392.21143	6.8
409.22263	10.7
425.26596	12.9
459.27136	27.2
459.38132	11.1
477.22189	12.7
477.28430	67.6
477.36566	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
55.01862	1.1
55.05508	5.1
57.07072	11.9
58.06592	1.0
59.05002	3.6
67.05498	4.7
69.03427	0.7
69.07060	9.4
69.81513	6.0
70.06568	4.8
71.04958	0.7
79.05486	5.2
81.07050	9.0
82.06577	1.2
82.81721	0.7
83.04978	4.3
83.08624	1.3
84.08163	0.9
85.06536	7.4
91.05466	3.8
93.07029	6.6
94.06551	1.9
95.04994	1.2
95.08590	5.2
96.07563	0.7
96.08096	4.0
97.06516	0.8
97.10119	0.9
98.09679	1.0
99.04418	1.0
99.66529	0.7
105.07016	4.9
107.08578	7.8
108.08107	4.4
109.06522	1.7
109.10142	3.4
110.09661	0.8
111.11725	0.8
117.07020	1.5
118.23907	0.8
119.08542	4.6
120.08095	0.9
121.06470	1.1
121.10120	12.2
122.09657	2.7
122.10911	3.1
123.08069	2.6
123.11689	10.4
124.11240	1.1
125.02310	1.9
125.06052	0.9
127.07579	0.9
131.08569	1.5
133.10124	2.6
134.10997	0.8
135.08028	2.3
135.11655	3.6
137.05934	1.2
143.08482	1.2
145.06535	1.1
145.10042	1.3
147.08063	0.9
147.11649	1.1
149.05957	1.5
151.03902	1.1
151.07494	1.0
153.05452	1.1
159.11591	1.2
163.07530	2.6
163.11014	1.0
165.05429	2.2
167.03386	3.1
167.07181	0.8
169.05022	1.2
173.06012	0.9
173.09615	2.5
175.07542	1.2
175.11179	0.9
177.05424	1.0
177.09082	1.8
179.03320	5.1
187.11147	1.1
191.07005	8.9
191.10696	1.2
192.07591	0.8
197.04449	1.3
203.10704	1.5
205.08522	1.6
207.10135	1.2
209.08061	10.6
209.11485	0.9
217.08627	0.9
218.15456	0.9
219.10120	6.5
220.16948	20.8
220.18991	1.5
221.08026	1.1
221.11642	1.4
221.17250	0.8
222.18562	8.8
223.09541	1.1
229.12231	1.1
233.08229	0.9
235.09660	4.6
237.11172	7.2
238.17987	50.5
239.18317	2.4
240.19568	32.2
243.09998	0.8
251.09097	3.7
253.10666	5.3
255.13820	0.9
256.19028	2.3
257.11676	2.3
261.11514	1.0
269.10010	0.9
271.13449	1.3
271.95770	0.8
275.12820	3.8
283.13208	1.0
285.14932	1.0
289.14301	1.6
297.14828	1.4
301.14148	4.9
302.35431	0.8
303.15930	1.0
313.17993	1.1
315.15839	5.0
319.15454	1.6
329.21121	2.4
331.19031	6.9
339.19705	0.9
340.30841	0.8
343.23294	0.9
355.18542	1.1
357.20529	4.4
358.21375	8.6
359.22061	1.0
376.22296	1.8
391.21118	13.0
409.22342	1.7
425.26935	3.4
459.27463	2.8
477.36752	100.0
478.36993	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	477.2841
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
55.05488	8.8
57.07067	53.4
67.05499	27.3
69.03410	6.5
69.07059	28.5
70.99679	12.7
79.05476	16.3
81.03385	7.9
81.07047	28.1
83.01322	5.1
83.04971	8.3
85.06529	5.3
91.05457	13.3
93.06528	4.8
93.07018	29.1
95.04949	5.5
95.08598	20.2
97.06422	5.1
105.07008	18.0
106.35859	4.3
107.04945	5.1
107.08570	27.4
109.06492	4.9
109.10118	4.9
117.07006	10.7
119.08537	6.0
121.10119	18.1
123.08054	5.8
133.10118	19.8
135.11705	5.5
143.40240	4.8
145.10107	16.3
147.08037	6.6
147.33282	4.4
149.13234	10.5
159.11714	5.6
163.11186	6.0
169.04953	74.5
173.09581	32.7
175.11176	4.9
177.05415	9.8
195.06505	6.8
195.13742	7.7
209.11653	5.2
219.10187	7.4
225.12756	4.6
226.03879	4.2
237.11278	5.8
241.08589	11.5
243.13857	7.4
247.09601	15.2
253.10626	4.7
265.12164	9.1
271.13260	18.6
283.13397	7.0
289.14297	100.0
290.14877	5.8
307.15384	19.7
321.18427	8.5
339.19443	23.4
357.20596	44.2
373.20111	64.4
375.21909	6.8
391.21194	19.2
441.26416	20.4
459.27289	12.4
477.28540	39.6
477.34988	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	477.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
55.05504	5.1
57.07065	22.4
66.60522	4.2
66.85405	4.6
69.03416	6.6
69.07063	57.4
69.85715	34.3
69.86055	6.2
78.82102	4.7
79.02562	4.5
79.05472	4.1
81.07047	5.8
83.01326	10.5
83.04969	5.5
86.02435	3.8
91.05452	9.9
93.07021	15.6
95.08568	12.0
105.07012	17.3
107.08583	24.0
109.10125	5.7
119.08574	9.8
121.10125	62.7
123.00965	5.2
127.03913	6.1
133.06479	6.5
133.10101	17.9
135.08073	8.0
135.11668	10.1
145.10123	12.7
146.91444	4.2
147.11696	6.6
153.05458	5.1
161.09557	4.9
163.11151	19.8
165.05539	7.5
171.06487	11.0
173.09659	21.2
177.09052	11.9
179.08475	4.3
187.07555	6.5
191.10651	17.5
199.66138	4.3
201.09050	5.2
209.11652	5.9
219.10130	62.9
229.12216	6.9
233.15376	4.4
237.11134	80.0
247.13264	16.4
259.13293	5.7
263.12665	4.8
267.13736	5.3
269.36505	4.9
271.13275	17.3
279.13620	6.2
283.13300	5.8
285.14871	8.0
297.14832	7.6
300.72711	5.5
303.16232	6.1
315.19507	25.5
329.88287	5.3
339.19452	37.5
341.17422	6.5
355.19235	5.1
357.20529	100.0
359.18549	22.4
373.20181	6.9
375.21539	34.4
389.24426	10.6
391.21039	13.1
407.25772	9.7
425.26813	16.2
443.27841	17.0
459.27554	9.5
477.28342	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	477.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04475	2.6
55.01862	12.9
55.05502	33.9
57.03430	7.9
57.07063	3.4
58.14909	2.6
62.06075	4.0
65.03936	4.2
66.67896	2.7
67.05496	63.1
68.99786	3.7
69.03431	8.6
69.07066	16.1
70.84238	8.4
71.01331	2.7
71.04982	16.5
75.04473	6.4
75.14368	2.8
79.05483	44.9
81.03387	21.7
81.07043	52.2
83.04971	15.6
83.08595	20.5
85.06523	5.7
91.05469	40.1
93.07030	60.0
95.04957	22.0
95.08592	35.3
97.06527	11.1
97.10159	11.9
99.04408	2.6
103.05425	4.3
105.07016	57.2
107.04928	14.2
107.08581	32.2
109.06518	10.9
109.10150	13.4
111.04417	3.4
111.08086	8.5
113.05957	3.0
117.07016	16.3
119.04938	3.3
119.08568	27.8
121.06517	21.4
121.10119	25.2
123.04461	3.5
123.08082	14.8
125.06013	5.3
125.09611	9.0
129.06987	11.8
130.07764	8.7
131.08551	19.6
133.06474	36.0
133.10114	18.2
135.08011	23.3
135.11691	12.5
137.09579	9.6
139.07463	4.0
141.05443	4.0
141.06972	3.4
143.08540	14.4
145.06476	10.9
145.10097	45.4
147.08060	12.8
147.11691	27.4
149.09636	6.8
149.13261	11.4
153.12727	5.7
155.08540	3.7
157.06383	3.5
157.09013	2.7
157.10066	15.9
159.08064	5.6
159.11693	11.3
161.09631	3.9
163.07544	21.1
163.11147	19.9
165.09138	5.8
169.10141	6.4
171.08060	13.1
171.11684	12.3
173.09592	79.1
173.13208	3.8
175.07594	5.7
175.11137	30.6
177.09145	4.0
177.12691	5.9
179.06940	5.0
181.08508	4.0
181.10133	5.5
181.12154	4.6
183.11667	6.2
185.09639	3.5
187.07524	3.2
187.11185	7.8
189.09061	3.6
189.11314	5.0
189.12776	10.5
191.10686	10.9
193.12291	13.4
194.36177	3.0
195.13774	4.8
196.12389	2.8
197.09563	6.5
199.11159	11.8
201.09010	3.2
201.12834	3.9
205.12189	5.6
207.13841	4.3
209.09772	2.8
209.11723	8.0
211.11180	3.3
211.14911	3.9
213.12720	3.9
215.10690	9.8
216.66473	3.3
217.08665	4.1
217.12288	13.3
221.13264	5.5
223.14839	3.8
225.12756	4.7
227.12726	8.7
233.11617	7.7
233.15350	6.7
235.13190	4.5
236.11917	2.7
239.14272	3.3
241.12202	4.1
241.16039	3.9
247.15172	3.7
255.13766	3.8
258.92892	2.6
262.22458	3.2
267.16013	4.9
269.15414	8.9
273.14807	4.4
277.12085	2.8
285.14911	5.1
287.12720	8.3
287.16284	3.1
291.17532	13.8
293.18915	8.8
309.18570	10.0
311.20016	11.6
313.14206	2.9
319.17026	5.6
321.22064	3.1
336.26294	3.3
337.18015	10.0
339.23215	6.4
343.20499	3.2
345.22186	8.7
347.68109	3.7
349.21744	6.5
361.21567	16.9
363.22989	22.3
367.22769	14.5
373.20361	4.3
379.22919	3.5
381.24191	36.7
385.23596	24.9
389.21051	4.6
399.25330	12.8
403.24847	6.8
407.22000	36.7
415.24640	4.0
425.23291	8.5
433.26212	3.6
443.24219	25.0
459.27402	41.0
477.28418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04475	2.6
55.01862	12.9
55.05502	33.9
57.03430	7.9
57.07063	3.4
58.14909	2.6
62.06075	4.0
65.03936	4.2
66.67896	2.7
67.05496	63.1
68.99786	3.7
69.03431	8.6
69.07066	16.1
70.84238	8.4
71.01331	2.7
71.04982	16.5
75.04473	6.4
75.14368	2.8
79.05483	44.9
81.03387	21.7
81.07043	52.2
83.04971	15.6
83.08595	20.5
85.06523	5.7
91.05469	40.1
93.07030	60.0
95.04957	22.0
95.08592	35.3
97.06527	11.1
97.10159	11.9
99.04408	2.6
103.05425	4.3
105.07016	57.2
107.04928	14.2
107.08581	32.2
109.06518	10.9
109.10150	13.4
111.04417	3.4
111.08086	8.5
113.05957	3.0
117.07016	16.3
119.04938	3.3
119.08568	27.8
121.06517	21.4
121.10119	25.2
123.04461	3.5
123.08082	14.8
125.06013	5.3
125.09611	9.0
129.06987	11.8
130.07764	8.7
131.08551	19.6
133.06474	36.0
133.10114	18.2
135.08011	23.3
135.11691	12.5
137.09579	9.6
139.07463	4.0
141.05443	4.0
141.06972	3.4
143.08540	14.4
145.06476	10.9
145.10097	45.4
147.08060	12.8
147.11691	27.4
149.09636	6.8
149.13261	11.4
153.12727	5.7
155.08540	3.7
157.06383	3.5
157.09013	2.7
157.10066	15.9
159.08064	5.6
159.11693	11.3
161.09631	3.9
163.07544	21.1
163.11147	19.9
165.09138	5.8
169.10141	6.4
171.08060	13.1
171.11684	12.3
173.09592	79.1
173.13208	3.8
175.07594	5.7
175.11137	30.6
177.09145	4.0
177.12691	5.9
179.06940	5.0
181.08508	4.0
181.10133	5.5
181.12154	4.6
183.11667	6.2
185.09639	3.5
187.07524	3.2
187.11185	7.8
189.09061	3.6
189.11314	5.0
189.12776	10.5
191.10686	10.9
193.12291	13.4
194.36177	3.0
195.13774	4.8
196.12389	2.8
197.09563	6.5
199.11159	11.8
201.09010	3.2
201.12834	3.9
205.12189	5.6
207.13841	4.3
209.09772	2.8
209.11723	8.0
211.11180	3.3
211.14911	3.9
213.12720	3.9
215.10690	9.8
216.66473	3.3
217.08665	4.1
217.12288	13.3
221.13264	5.5
223.14839	3.8
225.12756	4.7
227.12726	8.7
233.11617	7.7
233.15350	6.7
235.13190	4.5
236.11917	2.7
239.14272	3.3
241.12202	4.1
241.16039	3.9
247.15172	3.7
255.13766	3.8
258.92892	2.6
262.22458	3.2
267.16013	4.9
269.15414	8.9
273.14807	4.4
277.12085	2.8
285.14911	5.1
287.12720	8.3
287.16284	3.1
291.17532	13.8
293.18915	8.8
309.18570	10.0
311.20016	11.6
313.14206	2.9
319.17026	5.6
321.22064	3.1
336.26294	3.3
337.18015	10.0
339.23215	6.4
343.20499	3.2
345.22186	8.7
347.68109	3.7
349.21744	6.5
361.21567	16.9
363.22989	22.3
367.22769	14.5
373.20361	4.3
379.22919	3.5
381.24191	36.7
385.23596	24.9
389.21051	4.6
399.25330	12.8
403.24847	6.8
407.22000	36.7
415.24640	4.0
425.23291	8.5
433.26212	3.6
443.24219	25.0
459.27402	41.0
477.28418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01866	1.7
57.03429	6.2
61.02909	2.5
65.03923	1.3
68.99774	1.1
69.03418	10.1
69.63592	5.6
69.64025	4.0
71.04974	6.9
73.02911	8.8
75.04500	1.0
79.05472	1.7
81.03407	17.8
81.07023	1.3
82.30718	1.0
83.04942	1.8
85.02894	79.8
86.09705	1.5
91.05454	2.3
95.04935	1.6
95.74946	1.2
97.02880	30.2
99.04443	46.9
103.03928	100.0
103.05389	3.3
107.04934	11.3
109.02171	2.1
109.02862	31.5
111.04424	6.5
115.03893	1.2
117.07024	1.5
119.04913	1.7
121.06477	3.3
123.04406	2.6
125.05967	1.5
127.03899	85.4
131.04860	2.7
135.04413	3.0
139.03883	15.5
145.04935	75.3
147.04388	11.7
148.04756	1.4
149.02286	1.5
149.05957	2.7
153.05421	2.1
163.03915	13.0
163.05997	23.5
169.04962	11.0
171.06487	10.4
172.05089	1.3
173.06010	1.2
177.05449	5.9
181.04942	7.4
183.06546	4.7
187.05998	8.4
189.05392	1.4
190.06084	1.3
191.03374	13.9
193.04938	1.2
194.26350	1.1
195.06485	12.1
201.05415	2.7
203.03424	1.4
205.04863	4.1
205.06989	4.0
207.02933	1.2
207.06514	7.2
209.08032	3.0
213.07561	13.1
214.98540	1.2
217.07004	1.7
219.06590	1.5
222.05081	1.9
229.04893	1.9
229.07091	3.4
233.07985	5.2
235.05930	1.1
237.07556	26.7
238.18077	1.7
243.06522	3.9
247.05869	2.0
247.08136	18.6
261.07547	24.9
271.08075	4.4
279.08578	35.8
281.13678	2.6
285.04416	1.3
285.07593	4.1
289.09131	1.2
297.09598	6.8
306.68307	1.1
434.69534	1.2
477.36786	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	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	16.0
57.03206	0.8
57.03428	27.2
59.04989	2.8
61.02923	11.4
69.03423	28.8
70.05203	6.2
71.01347	4.0
71.04990	3.1
72.04485	1.5
72.35121	1.0
73.02906	39.3
79.05476	1.7
81.03408	4.7
81.07049	1.3
84.04512	1.0
85.02892	76.3
86.03231	1.2
87.04456	4.9
91.03939	3.0
95.04961	1.3
97.02879	60.5
99.04453	3.3
103.03946	3.4
105.07020	18.2
109.02879	6.4
115.03912	27.2
123.04452	1.5
124.05201	26.4
127.03892	23.0
127.90448	1.1
129.07034	1.1
132.06590	2.2
133.04961	39.6
133.06459	12.6
137.05951	24.2
144.06508	1.5
145.04944	30.6
150.07640	5.3
151.03839	1.4
162.07596	2.3
163.05969	8.5
165.09102	100.0
166.09454	1.6
180.08694	2.6
187.07524	2.4
189.09087	3.4
193.05025	1.4
196.25452	1.1
201.09113	2.5
223.05940	3.9
233.36293	1.2
239.80702	1.3
241.06985	5.7
259.08231	3.0
261.11157	2.3
327.01813	1.2
337.02383	2.5
345.02692	1.6
350.58334	1.2
363.03897	2.2
373.16315	1.2
476.35440	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	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03939	7.6
55.01859	5.3
55.05504	22.6
57.03436	5.3
57.07071	11.9
57.74839	1.1
58.77733	1.0
65.03946	3.8
67.05497	77.7
69.03429	3.3
69.07058	23.5
70.84482	3.8
71.04979	6.4
77.03901	1.2
79.05484	78.8
81.03410	12.5
81.07047	83.8
83.04977	15.9
83.08615	13.9
84.03329	0.9
85.06554	4.8
91.05470	53.6
93.07032	80.6
95.04958	24.1
95.05511	1.9
95.08590	33.9
97.06525	13.6
97.10176	3.6
97.34460	1.0
99.08105	2.9
101.24709	1.2
103.05541	1.2
105.04535	1.8
105.07013	38.4
106.07456	1.2
107.04358	1.2
107.04950	7.0
107.08587	33.7
109.06497	7.8
109.10130	6.4
109.81716	1.0
110.40115	1.1
111.08083	6.8
113.09693	1.2
115.05457	1.8
117.07008	11.5
119.08563	19.7
119.09284	1.9
121.06522	4.9
121.10137	13.4
123.08057	7.1
123.11749	2.1
128.06259	2.1
129.06989	14.5
129.07857	1.4
131.08545	10.4
133.06490	2.2
133.10107	14.3
135.04581	1.1
135.08080	3.2
135.11674	10.3
137.05972	1.0
137.09659	1.8
139.11243	1.5
141.02808	1.1
141.06996	1.2
141.54161	1.0
143.08539	8.2
145.10138	10.6
147.08072	3.7
147.11676	25.9
147.12877	1.4
149.09673	2.6
149.13235	20.7
149.14290	1.7
153.12828	1.8
157.10144	2.7
159.08073	1.7
159.11658	8.9
161.09671	4.5
161.13248	10.7
163.11205	3.9
169.05025	3.3
169.10220	1.2
171.08189	1.2
171.11682	19.2
173.09653	4.6
175.11273	1.8
177.12686	6.7
183.11761	1.3
185.13292	1.5
189.12714	12.4
189.14085	1.0
191.10855	1.5
193.10428	1.3
193.12233	1.2
195.13773	6.5
196.09363	1.0
207.13786	30.6
207.15604	1.9
219.10193	1.6
220.17050	2.8
225.14987	4.8
227.12805	2.6
238.17979	6.3
240.19812	1.4
251.16476	2.6
253.19814	1.1
263.16461	1.1
269.17474	1.3
302.13733	1.4
339.19794	1.2
355.19131	2.7
365.20932	1.2
368.73401	1.1
371.18869	1.7
373.20203	2.1
383.22229	1.9
389.19159	1.1
404.38947	1.2
405.24371	1.8
423.25446	1.6
439.24829	2.1
457.25504	5.2
462.27292	1.2
475.30728	100.0
476.31198	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	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03938	5.4
55.01865	4.4
55.05503	22.2
57.03434	6.2
57.07066	9.9
59.96785	1.2
65.03941	2.8
67.00367	1.3
67.05497	68.2
69.03416	1.9
69.07059	24.9
71.04983	4.1
73.06522	1.5
77.03905	1.6
79.05483	69.4
80.04952	1.2
81.03417	12.1
81.07047	71.9
82.07384	1.3
83.04974	12.5
83.08610	12.4
85.06536	6.2
91.05468	50.3
93.03427	1.2
93.07033	68.4
94.06549	2.4
95.04966	16.7
95.08595	32.0
96.08112	5.4
97.06527	9.4
97.10178	3.4
98.21487	2.2
99.04453	1.7
99.08100	3.1
99.09889	1.4
105.07015	36.4
107.04962	7.4
107.07361	1.8
107.08578	29.9
108.08123	6.0
109.06543	6.3
109.10136	6.0
110.09644	2.6
111.08047	6.9
113.09732	1.1
114.61929	1.1
115.05433	2.3
117.07007	11.4
119.08568	20.2
121.06485	4.5
121.10120	16.4
122.09673	2.5
123.08041	7.7
123.41985	1.3
124.11212	1.3
125.09636	1.9
127.07559	2.0
128.06215	1.9
129.06999	11.5
131.08553	9.1
132.09015	1.2
133.10107	11.9
134.09608	1.4
135.08067	2.1
135.11676	8.5
137.09575	3.4
139.11179	1.6
143.08499	6.7
145.10124	9.7
147.08020	3.1
147.11671	24.4
149.05887	1.3
149.09616	2.2
149.13232	16.6
153.12741	1.7
157.10124	2.8
159.11664	7.6
161.09612	3.7
161.13252	6.3
163.11133	2.9
169.04936	1.7
169.10060	1.7
171.08055	1.4
171.11653	20.0
171.13068	1.4
173.09639	3.7
175.11194	1.7
177.12761	4.8
183.56169	1.4
185.09663	1.5
189.12741	7.7
191.10574	1.5
193.12276	2.1
195.13806	4.9
207.13768	28.0
207.15678	2.0
217.08621	1.3
218.15416	2.0
219.10165	2.9
220.16937	31.1
221.15321	1.4
221.17238	1.3
222.18666	2.9
225.14864	3.6
227.12758	2.4
236.16469	2.0
238.17992	76.9
239.18388	1.7
240.19566	10.8
241.67505	1.3
250.81290	1.2
256.19122	3.2
315.15985	1.9
317.13846	2.5
335.26010	5.6
339.19516	1.4
355.19058	3.3
371.18344	4.3
373.20105	2.1
383.21890	2.4
389.19452	4.3
423.25085	2.5
439.24747	2.1
457.25507	5.7
475.30154	59.2
475.35376	100.0
476.30637	2.0
476.36395	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
53.44629	0.9
55.01862	7.7
55.05506	15.1
57.03421	3.7
57.07059	1.6
59.04986	1.9
60.92199	0.9
62.42310	0.8
65.03930	2.3
67.05496	30.0
69.03421	1.9
69.07064	5.8
71.01279	3.4
71.04984	2.8
73.02866	0.8
73.53597	0.8
79.05481	20.5
81.03408	40.3
81.07042	14.6
83.04973	9.1
83.08610	11.7
84.04555	0.8
85.02892	1.3
85.06546	1.5
88.53352	0.9
90.19798	0.8
91.05469	18.9
91.06031	1.0
93.06444	1.0
93.07031	18.1
93.07585	1.6
95.04959	16.9
95.08597	11.5
97.02893	2.4
97.06490	4.2
97.10167	6.6
99.08054	1.0
103.05461	1.4
105.03340	1.2
105.07012	12.6
107.04946	18.5
107.08584	11.9
109.02865	1.8
109.06497	3.7
109.10155	10.6
111.04457	5.0
111.08060	4.6
115.05457	1.9
117.07025	7.8
119.04955	1.9
119.08562	10.6
121.02860	11.0
121.06475	7.2
121.10140	8.2
123.04388	2.1
123.08069	2.7
125.09611	5.7
128.06190	1.1
129.06995	8.2
131.04922	2.4
131.08534	11.1
133.06477	5.0
133.10117	3.8
135.04399	7.0
135.08044	4.8
135.11656	9.2
137.05991	1.8
137.09572	1.3
141.06963	1.9
142.07761	1.4
143.08580	3.2
145.06471	5.0
145.10098	7.7
147.04401	1.6
147.08047	3.9
147.11670	3.5
149.06039	2.0
149.09619	3.3
149.55359	0.9
152.70323	0.9
153.12729	13.0
155.08549	2.7
157.06465	1.0
157.10152	5.6
159.08040	1.9
159.11681	2.1
161.05994	3.0
161.09608	1.7
163.07504	1.2
163.11197	10.2
165.12718	0.9
169.06462	1.2
169.10165	2.0
171.07977	1.5
173.05937	1.5
173.09608	4.2
173.11845	1.7
173.13223	1.9
175.11163	5.2
181.12222	6.1
183.08067	1.4
183.11708	2.8
185.09499	1.1
185.13266	1.8
187.11246	1.2
189.09241	1.5
189.11208	2.4
191.10652	3.8
193.12210	14.5
201.12746	3.7
203.14354	1.2
205.12206	1.2
207.11775	1.0
209.11717	4.3
211.11197	2.1
211.13190	1.1
213.12781	1.2
215.14235	1.1
219.13786	4.7
226.85944	0.9
227.10683	0.7
227.12740	19.6
229.12238	3.1
231.13739	2.2
247.13269	31.1
249.14844	5.4
257.15286	1.1
265.14334	5.3
267.15924	2.6
269.15356	1.5
271.13242	1.3
273.14709	1.7
287.16461	1.2
289.14328	3.6
337.21414	1.1
355.22855	2.5
365.21002	4.2
383.22165	15.7
401.23172	8.4
431.24542	1.3
439.24969	1.6
457.25797	14.6
475.26883	100.0
476.27158	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	475.2687
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
50.14947	0.8
51.56633	0.7
52.13166	0.9
53.03942	2.2
55.01857	4.3
55.05505	19.6
57.03441	4.7
57.07049	1.5
59.04995	1.4
65.03925	1.0
67.05494	23.4
69.03397	2.1
69.07043	4.6
69.72594	6.8
69.73008	1.7
71.04978	1.9
73.22955	0.9
73.96059	0.8
79.05485	21.0
80.09469	0.8
81.03409	10.9
81.07049	19.5
83.04952	3.5
83.08613	8.3
85.02895	1.0
85.06525	1.0
91.05460	17.1
91.83672	0.9
93.07027	13.9
95.04955	10.5
95.08592	10.7
97.02898	1.3
97.06529	2.4
97.10161	13.1
98.21425	1.2
103.05486	1.5
105.03432	1.2
105.07022	12.0
107.04932	8.9
107.08585	9.5
109.02857	4.8
109.06495	3.8
109.10162	7.6
111.08060	2.4
115.05453	1.9
117.06992	7.9
119.04954	3.5
119.08575	8.4
121.02802	1.5
121.06490	8.6
121.10137	3.9
123.04426	2.0
123.08055	5.4
125.02334	2.4
125.09621	8.0
128.06215	1.6
129.06992	6.5
131.04912	4.4
131.08575	8.1
133.06480	6.0
133.10114	2.1
135.04422	2.5
135.08044	4.5
135.11676	2.7
137.05959	2.1
137.09576	1.0
141.06987	3.3
143.08537	5.6
145.06465	9.3
145.10123	7.9
147.04430	4.3
147.08018	6.5
147.11649	2.4
149.06006	1.9
149.09624	3.0
151.07477	1.0
153.06963	1.3
155.08549	4.6
157.06512	2.3
157.10132	3.4
159.04398	2.1
159.08076	5.5
159.11650	2.4
160.05211	2.3
161.05956	15.4
161.09615	2.7
163.07570	2.1
163.11183	5.2
167.08546	2.3
169.06502	2.6
169.10138	2.5
171.04373	1.5
171.07956	5.0
171.11713	1.5
173.05994	3.9
173.09599	8.1
175.07523	3.3
175.11153	2.1
178.07858	1.1
179.08574	1.9
181.06563	1.5
181.10100	1.8
181.12122	1.1
183.08070	2.9
183.11687	2.1
185.09608	3.0
185.13144	2.1
187.07623	2.9
187.11221	1.5
189.09296	1.7
189.11215	4.6
189.12782	1.1
191.10658	2.2
193.12213	3.3
195.08046	2.1
195.11708	1.9
197.09633	2.3
197.13182	1.0
199.11140	1.5
201.09219	1.1
201.12775	2.4
203.14307	1.8
207.11700	1.1
209.09686	1.4
209.11603	0.9
211.11166	3.2
213.12743	2.5
215.10614	1.0
221.09656	1.4
221.15384	0.9
225.12714	2.2
225.16423	0.9
227.12726	1.5
229.12283	1.9
231.13795	3.8
237.11113	1.8
238.17934	1.8
239.10655	1.3
243.13855	4.0
247.13222	1.2
249.14925	1.4
253.12317	2.1
257.04413	1.4
257.11862	1.1
257.15265	1.8
259.13040	0.9
267.16049	1.5
269.15353	4.1
271.13211	4.6
273.14786	5.0
285.14743	1.5
287.16537	1.1
289.14291	13.6
299.16351	2.0
303.15894	2.9
311.20062	1.3
327.16031	1.4
337.21606	2.6
347.19891	1.4
348.52127	0.9
350.66449	0.9
355.22717	6.7
365.21060	11.5
383.22125	58.4
393.24197	1.8
401.23169	21.7
402.80920	1.0
403.22601	1.4
413.23724	0.9
419.24539	2.1
421.23785	3.6
429.26215	1.1
431.24127	5.4
439.24734	6.7
457.25800	48.8
475.26892	100.0
476.27026	3.2
487.21777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97743	1.5
53.24824	1.5
55.05491	3.2
57.07067	56.9
67.05489	4.9
69.03406	2.6
69.07069	3.3
69.75994	10.3
77.90178	1.3
79.05460	2.9
81.07033	4.4
82.52174	1.7
83.04961	4.2
85.01317	1.6
85.06532	6.8
91.05470	6.0
93.07028	5.1
95.04954	2.8
95.08599	5.2
97.06506	1.9
105.06335	3.1
105.07015	45.8
107.08580	15.0
107.90114	1.3
109.10139	2.0
117.06998	4.8
119.08558	11.2
121.10095	9.1
125.09650	3.4
129.06999	2.3
130.07776	4.7
131.08565	2.7
133.10104	5.9
135.08037	11.3
137.09595	19.4
142.07768	2.5
143.08527	2.9
145.10104	22.3
147.08008	3.0
147.11655	26.5
149.06004	2.7
153.09093	19.9
155.10687	4.9
157.10107	9.2
159.08115	2.0
160.61536	1.5
161.09596	2.4
163.07480	7.6
163.11148	4.9
165.09157	2.2
169.04962	2.6
171.08038	4.5
173.09596	100.0
174.10059	1.5
175.11171	71.1
181.08528	10.9
185.09541	1.5
189.09088	3.1
191.10594	12.2
199.09592	2.0
201.09061	4.1
213.12717	2.4
217.08606	2.3
219.10121	2.8
221.13318	3.0
221.15414	5.0
231.13805	2.2
239.14264	2.1
239.16428	5.5
249.12375	2.8
249.14815	31.0
253.19926	2.1
263.18054	2.1
281.18884	11.1
285.05435	1.8
291.17511	7.9
293.19046	6.2
309.18448	24.5
311.19907	8.4
314.49292	1.5
319.16379	1.9
327.19543	6.6
337.17957	18.0
345.20621	4.7
355.18970	34.4
373.20081	27.0
377.24728	5.6
391.21262	3.6
393.24036	3.9
395.25784	6.7
421.23630	4.6
439.24841	10.5
457.25839	11.1
475.26672	3.5
475.35281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16104	1.3
53.03934	1.5
55.05497	4.0
57.07071	58.2
59.59354	1.3
67.05502	6.8
69.03430	1.8
69.07046	6.5
69.83919	10.3
71.94427	1.3
79.05486	6.0
81.07064	6.1
83.01339	1.9
83.04960	3.8
85.06538	6.2
87.54378	1.4
91.05465	10.0
93.07033	8.2
95.04958	2.4
95.08616	6.6
95.22521	1.2
96.08120	3.2
104.41177	1.2
105.07018	53.1
106.07367	1.5
107.04942	1.6
107.08591	14.1
108.08076	4.1
109.06476	1.9
109.10138	2.9
112.89797	1.2
117.06990	5.5
119.04932	2.9
119.08575	14.7
120.08123	1.7
121.06503	2.5
121.10133	10.8
122.09658	1.6
122.77266	1.2
123.08047	1.3
125.09635	3.0
128.06139	1.3
128.21683	1.2
129.06955	2.1
130.07767	5.7
131.08557	2.7
133.06450	1.4
133.10101	6.5
135.08051	12.4
135.11676	2.5
137.09599	18.0
139.07481	1.4
142.07761	3.6
143.08586	2.1
145.06494	1.3
145.10107	28.0
147.11667	28.2
147.12753	2.3
149.05949	2.2
149.09583	2.2
153.09088	19.3
155.10628	4.2
157.10085	7.3
159.08017	1.5
159.11652	1.9
161.09669	2.5
163.07527	9.8
163.11130	3.7
163.67201	1.3
165.09216	1.9
169.10077	1.6
171.08046	4.4
173.09602	100.0
175.11162	75.3
180.03456	1.4
181.08574	8.6
181.09976	1.6
185.09546	1.7
185.13130	1.9
189.09111	3.5
191.10672	11.7
193.12212	2.4
199.09563	3.2
201.09116	3.1
203.10776	1.8
203.14314	1.9
209.13309	1.3
211.14813	1.7
213.12798	3.8
215.14244	1.6
217.08548	3.7
219.10237	2.4
219.13861	3.3
220.16914	17.1
221.15359	4.2
222.94179	1.5
231.13809	2.1
235.09605	1.6
236.16481	1.8
238.17989	40.5
239.16380	7.5
240.19637	5.0
243.13725	1.8
249.14842	31.2
251.14362	1.5
256.19180	2.0
261.14853	1.3
263.17868	2.1
265.19492	1.9
281.18988	10.7
283.20566	1.5
291.17401	6.2
293.18997	4.6
309.18430	25.5
311.20081	6.2
313.13867	1.5
319.16452	1.8
327.19580	8.2
337.17969	17.4
345.20593	3.5
355.19025	35.8
373.20090	25.0
377.24655	7.0
391.21155	5.9
393.24112	3.2
395.25784	6.7
411.25159	2.3
421.23795	4.6
439.24765	14.1
457.25742	10.6
474.55118	1.3
475.28018	3.4
475.35281	73.6
481.61115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.1
55.05473	0.2
57.07054	0.1
67.05463	0.3
69.07044	0.1
70.47683	0.4
71.58083	0.1
79.05465	0.3
81.03404	0.6
81.07038	0.3
83.08624	0.2
86.05887	0.1
91.05442	0.3
93.07010	0.3
95.04935	0.2
95.08562	0.2
98.20844	0.2
105.06994	0.2
107.04934	0.2
109.10107	0.2
117.06988	0.3
125.09583	0.1
129.06923	0.1
131.04857	0.2
131.08563	0.2
135.11562	0.2
145.10077	0.2
147.08047	0.1
155.04836	0.1
163.11230	0.2
165.09119	0.2
173.05997	0.2
201.05455	0.4
203.03323	0.5
227.12660	0.2
229.04932	3.3
229.07181	0.2
247.13277	0.2
257.04410	100.0
258.04785	2.0
313.10663	20.5
314.11038	0.6
365.21207	0.2
383.22122	0.4
457.25989	0.4
475.15942	0.3
475.26782	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93270	0.4
53.03937	0.6
55.05505	3.3
57.03438	0.7
57.07071	5.7
59.04994	29.8
61.02920	0.5
67.05504	0.8
69.03415	1.4
71.81512	0.8
76.76663	0.4
81.03400	1.1
81.07044	0.8
83.04980	1.0
83.08598	1.2
85.02893	4.7
85.06542	0.5
87.04458	12.5
87.04988	0.8
89.06025	2.8
91.05443	1.0
93.07025	1.4
95.04989	0.9
95.08592	0.7
97.02864	1.8
99.04456	0.6
101.09642	5.0
103.03940	4.2
103.07568	100.0
104.07896	1.1
105.07018	1.1
107.07055	1.7
107.08602	1.1
109.02871	0.5
109.10117	0.7
115.41225	0.5
119.07064	4.0
119.08545	1.0
120.08063	0.6
121.04993	1.3
121.08570	2.4
121.10126	0.5
123.04417	0.6
123.08038	0.6
127.03880	1.1
131.08580	0.8
137.05943	0.8
138.97833	0.4
139.03877	1.1
145.04968	0.7
145.10133	3.1
145.36986	0.4
149.06094	0.5
151.03870	0.5
161.45969	0.5
163.07581	0.6
163.13287	12.0
169.04961	0.6
173.09558	0.6
175.13286	14.5
180.08615	0.8
188.31508	0.4
241.04846	0.5
242.05186	0.5
257.04398	3.6
258.04807	1.9
269.04550	0.6
283.05652	0.6
295.17551	0.6
310.78091	0.5
311.09149	4.3
312.09470	10.4
312.20151	0.8
313.09967	0.6
331.12762	0.6
419.09778	0.5
425.22708	0.5
456.24487	1.7
474.25916	2.8
475.15503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05507	4.3
57.03433	5.9
57.07072	6.2
59.04990	1.1
61.02908	2.5
63.46172	0.6
67.05498	0.6
69.03429	6.7
70.00738	2.4
70.01153	1.0
71.01343	1.3
73.02908	14.7
80.05003	0.8
80.99394	0.5
81.03395	1.3
83.08604	1.4
85.02896	14.5
86.09686	0.9
87.04491	0.9
89.06023	20.8
91.03933	0.7
91.05464	0.5
95.54385	0.6
97.02876	9.9
99.04447	0.8
101.09646	8.3
103.03940	0.9
105.03390	0.9
107.07056	20.6
109.02867	1.7
111.04429	0.8
115.03916	5.8
119.08459	0.6
122.02727	1.0
127.03907	4.3
129.22212	0.7
133.04951	7.2
145.04932	4.8
145.12097	0.7
161.05832	0.6
163.05988	2.2
163.13280	100.0
164.13605	1.1
191.10678	0.8
194.55533	0.6
221.42175	0.7
241.07184	0.7
257.04538	0.8
259.08099	1.3
289.86642	0.6
312.12646	1.9
313.10751	0.8
474.19183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.8
57.03418	0.8
60.19260	0.4
60.59532	0.4
61.02894	0.8
63.02358	0.6
69.03397	1.9
69.07020	0.6
69.98780	3.2
70.06563	1.3
71.04939	0.5
73.02909	1.3
79.05462	1.2
81.03404	0.6
83.04970	0.6
83.78345	0.5
84.04482	0.6
84.96029	0.8
85.02888	3.7
86.09692	12.5
88.23122	0.4
89.03906	9.5
91.05460	2.5
93.03361	0.5
95.04949	1.1
97.02864	1.7
98.97569	3.8
99.04430	0.5
107.04928	2.4
109.02844	0.9
110.07151	0.7
110.97583	0.9
111.04381	1.1
116.98588	4.4
117.03357	8.6
119.04930	2.9
123.04394	1.5
127.03932	3.1
128.98618	1.2
132.10181	10.4
133.01721	0.5
134.99649	2.8
135.04388	19.4
136.04718	1.3
136.06158	3.4
139.03879	1.3
143.00157	1.5
145.01700	1.0
145.02817	11.6
145.04961	0.9
146.03172	1.1
146.99603	1.5
147.04391	11.0
148.04741	0.8
148.94283	0.5
149.01109	0.5
153.00737	0.7
153.05440	0.6
158.99649	1.3
159.03276	0.5
161.01198	2.4
163.03879	100.0
164.04216	9.1
170.99643	1.3
172.95259	0.5
175.02713	0.8
176.99278	0.4
177.00725	2.1
185.01109	0.9
186.96841	0.9
186.99106	0.6
189.00711	1.4
195.01286	0.6
201.00676	1.1
203.02232	1.1
204.97952	0.5
205.00166	0.8
208.96349	0.5
213.00607	0.7
214.95398	0.6
219.01663	4.1
227.02199	0.5
231.01791	1.0
232.96535	1.2
237.00659	1.9
237.02805	5.8
238.03157	1.2
239.02348	0.6
243.01639	0.6
244.96523	0.5
245.04614	0.6
247.01636	0.6
249.02901	0.7
250.97351	0.9
255.01682	2.7
257.00134	0.7
257.04605	0.7
261.02805	0.8
263.05783	0.6
266.98624	0.6
268.96423	1.3
269.03268	0.7
272.99591	1.5
273.02823	2.2
286.97488	1.0
287.05731	0.6
288.99057	1.4
292.96445	1.5
298.97382	1.5
300.99121	1.2
308.99573	1.5
310.04269	0.6
310.97446	1.3
313.02594	0.7
315.03799	0.6
316.98593	1.6
319.01007	0.6
328.98676	0.9
329.05560	0.5
330.05582	0.9
337.02225	1.1
341.11539	1.2
346.99576	0.5
352.98724	0.9
355.03235	0.9
360.99094	0.6
362.99197	0.6
370.99612	0.6
378.05353	1.0
385.05603	0.6
393.04697	2.3
401.00653	0.9
403.00076	0.6
411.05780	1.2
412.99286	0.7
415.09180	1.3
419.01657	1.7
429.07092	2.2
430.98361	1.6
433.10159	0.7
448.99295	2.6
474.19525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93908	0.3
53.03943	1.0
55.01862	0.7
55.05516	0.5
57.03437	0.4
57.87262	0.4
58.93399	0.3
59.67239	0.3
60.89687	0.3
61.02909	0.7
62.96171	0.4
67.05489	1.5
69.03423	2.0
69.07059	100.0
70.07397	0.7
70.94771	1.1
71.04972	0.6
73.02891	0.5
79.05495	4.1
81.03414	2.0
81.07040	0.6
83.04967	0.5
83.08640	0.5
85.02896	6.1
87.00826	2.6
87.71951	0.3
91.03932	0.4
91.05487	0.4
93.07048	0.5
93.59895	0.4
95.04970	0.6
97.02886	3.3
99.04444	1.4
102.99148	0.4
105.01856	4.4
105.03373	1.7
105.07022	0.4
107.08575	0.6
109.02850	1.8
119.08566	0.7
121.10168	0.7
123.04417	23.1
127.03921	4.2
129.12766	0.4
133.10138	0.5
145.04955	2.5
147.11748	0.4
149.02284	1.8
159.02872	0.7
161.09692	0.4
167.03389	0.6
175.11343	0.4
186.80759	0.4
191.10651	55.7
192.10973	0.6
209.11685	5.8
231.04982	1.0
231.55113	0.4
233.08023	0.4
249.06070	1.1
312.09476	0.7
474.25754	1.0
475.26776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43794	0.5
53.03936	2.1
55.01854	1.4
55.05500	1.1
56.29345	0.5
56.67665	0.5
57.03421	1.6
57.07055	0.8
57.55928	0.6
61.02914	1.7
66.58247	0.6
67.05492	2.3
67.36472	0.5
68.99772	0.6
69.03426	7.6
69.07064	64.5
70.07382	0.6
71.04989	1.2
71.81486	0.7
73.02906	1.9
79.05489	3.9
81.03407	7.3
81.07040	1.1
83.04967	0.7
85.02383	1.2
85.02901	21.8
85.06512	1.0
87.00821	8.3
87.08101	100.0
88.08448	0.6
91.03945	0.7
91.05479	1.1
93.07032	1.6
95.04965	1.5
95.08613	1.2
97.02888	9.9
99.04447	5.7
105.01873	9.3
105.02572	0.8
105.02711	0.7
105.03374	7.8
105.07024	1.3
105.09157	2.2
107.04955	0.7
109.02870	6.3
117.01813	1.0
119.08556	0.7
121.10135	1.0
123.04420	16.4
126.05564	0.6
127.03911	14.4
128.10735	1.9
133.10136	2.3
141.01859	0.6
145.04941	5.1
145.10141	0.7
159.02870	3.6
169.12221	0.7
189.03954	0.6
191.10777	1.3
209.11717	23.9
213.04019	0.8
214.18102	3.4
221.04509	0.8
222.04852	0.8
231.05101	3.3
233.08087	1.2
234.08559	0.8
249.06136	0.9
294.08606	0.6
311.09241	2.1
312.09457	4.5
359.15057	1.3
360.15262	2.8
369.00922	0.6
382.62070	0.6
456.24683	2.1
474.25778	5.6
475.27115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01860	0.9
55.05505	4.0
57.07066	54.6
59.45618	0.7
67.05482	3.8
67.05801	0.7
69.03426	8.9
69.07057	27.4
71.81323	1.0
71.81724	1.2
79.05473	9.1
81.07051	5.3
83.01335	10.1
83.04948	2.7
83.08595	0.8
85.02865	1.1
85.06532	11.7
91.05461	8.3
93.07032	26.6
95.04939	3.5
95.08597	6.8
97.06483	0.9
97.10149	3.0
103.05431	1.3
105.07011	18.4
106.07806	0.9
107.04962	1.6
107.08577	23.1
109.06516	2.9
109.10155	5.6
111.08037	1.1
113.05986	2.7
117.06985	2.0
119.08585	9.9
121.06519	4.2
121.10127	100.0
122.10487	1.1
123.08047	5.7
123.11694	2.2
125.09541	1.1
127.03892	18.9
127.07521	1.6
128.06206	1.1
129.06985	2.1
130.07706	1.4
131.08521	3.1
132.49199	0.8
133.06476	6.5
133.07466	1.5
133.10107	8.6
135.04333	1.3
135.08029	3.0
135.11670	21.9
136.12013	1.1
137.06067	0.8
137.09605	2.4
137.13214	1.0
139.03868	1.6
139.07478	1.6
141.05487	1.2
143.08543	3.1
145.06438	1.9
145.10109	15.9
147.08041	1.7
147.11641	4.2
149.05901	1.0
149.09593	2.7
149.13080	0.9
151.03946	1.2
153.05478	4.2
153.09065	2.6
155.08482	1.8
156.09361	1.0
157.10103	3.0
159.08037	1.9
159.11685	3.6
161.09554	2.6
163.07515	3.1
163.11157	33.1
164.11502	1.1
165.09102	1.3
167.07170	1.1
168.09331	1.3
169.10114	1.8
171.06635	1.2
171.07993	1.9
171.10219	1.5
171.11659	1.5
172.08855	1.0
173.09596	29.4
173.13248	3.2
175.07556	1.6
175.11166	1.6
175.14848	1.9
177.09100	1.7
183.06445	1.4
183.07961	1.1
183.11691	2.7
185.08067	22.1
185.09596	1.1
185.13211	1.3
186.10416	1.3
187.07484	3.9
187.11119	2.0
189.08978	1.4
189.16345	3.3
191.07028	2.0
191.10654	17.7
191.14342	1.4
193.08530	1.3
197.09595	1.0
197.13150	1.7
199.09497	1.1
201.08989	1.5
201.12727	3.2
203.14311	4.1
205.08464	1.4
205.12221	1.1
209.08092	3.0
209.11652	12.2
209.13292	1.1
211.11185	3.0
213.12616	1.4
213.16365	1.0
215.10658	3.3
215.14247	6.9
219.13794	0.9
223.09669	0.9
227.14351	1.4
228.11501	1.0
229.08560	3.8
229.12170	12.1
231.17412	1.1
233.11664	1.2
233.15318	7.2
235.09578	2.9
241.12343	1.0
241.19482	1.2
243.13783	3.7
245.15370	1.1
247.13260	31.3
253.10686	3.0
253.19498	2.2
259.13165	5.0
259.20706	1.4
269.18979	1.9
271.13242	13.4
271.20508	6.7
275.16443	1.2
285.14828	1.8
287.12787	1.3
289.14288	8.2
289.21619	6.6
297.18399	2.0
299.16089	1.2
301.14185	1.2
303.15845	11.0
305.13745	1.1
311.19711	1.0
314.18530	1.4
315.19489	37.7
316.19785	1.9
321.17078	3.1
327.19495	1.3
329.21048	1.0
339.19647	3.9
349.12689	0.8
355.18970	10.5
357.20544	2.5
371.18130	1.0
371.22253	3.8
373.20059	41.4
374.20462	1.1
387.21939	2.0
389.23059	3.7
405.24075	1.3
423.25134	4.1
441.26218	5.0
455.27701	0.9
473.28470	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	473.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01860	0.9
55.05505	4.0
57.07066	54.6
59.45618	0.7
67.05482	3.8
67.05801	0.7
69.03426	8.9
69.07057	27.4
71.81323	1.0
71.81724	1.2
79.05473	9.1
81.07051	5.3
83.01335	10.1
83.04948	2.7
83.08595	0.8
85.02865	1.1
85.06532	11.7
91.05461	8.3
93.07032	26.6
95.04939	3.5
95.08597	6.8
97.06483	0.9
97.10149	3.0
103.05431	1.3
105.07011	18.4
106.07806	0.9
107.04962	1.6
107.08577	23.1
109.06516	2.9
109.10155	5.6
111.08037	1.1
113.05986	2.7
117.06985	2.0
119.08585	9.9
121.06519	4.2
121.10127	100.0
122.10487	1.1
123.08047	5.7
123.11694	2.2
125.09541	1.1
127.03892	18.9
127.07521	1.6
128.06206	1.1
129.06985	2.1
130.07706	1.4
131.08521	3.1
132.49199	0.8
133.06476	6.5
133.07466	1.5
133.10107	8.6
135.04333	1.3
135.08029	3.0
135.11670	21.9
136.12013	1.1
137.06067	0.8
137.09605	2.4
137.13214	1.0
139.03868	1.6
139.07478	1.6
141.05487	1.2
143.08543	3.1
145.06438	1.9
145.10109	15.9
147.08041	1.7
147.11641	4.2
149.05901	1.0
149.09593	2.7
149.13080	0.9
151.03946	1.2
153.05478	4.2
153.09065	2.6
155.08482	1.8
156.09361	1.0
157.10103	3.0
159.08037	1.9
159.11685	3.6
161.09554	2.6
163.07515	3.1
163.11157	33.1
164.11502	1.1
165.09102	1.3
167.07170	1.1
168.09331	1.3
169.10114	1.8
171.06635	1.2
171.07993	1.9
171.10219	1.5
171.11659	1.5
172.08855	1.0
173.09596	29.4
173.13248	3.2
175.07556	1.6
175.11166	1.6
175.14848	1.9
177.09100	1.7
183.06445	1.4
183.07961	1.1
183.11691	2.7
185.08067	22.1
185.09596	1.1
185.13211	1.3
186.10416	1.3
187.07484	3.9
187.11119	2.0
189.08978	1.4
189.16345	3.3
191.07028	2.0
191.10654	17.7
191.14342	1.4
193.08530	1.3
197.09595	1.0
197.13150	1.7
199.09497	1.1
201.08989	1.5
201.12727	3.2
203.14311	4.1
205.08464	1.4
205.12221	1.1
209.08092	3.0
209.11652	12.2
209.13292	1.1
211.11185	3.0
213.12616	1.4
213.16365	1.0
215.10658	3.3
215.14247	6.9
219.13794	0.9
223.09669	0.9
227.14351	1.4
228.11501	1.0
229.08560	3.8
229.12170	12.1
231.17412	1.1
233.11664	1.2
233.15318	7.2
235.09578	2.9
241.12343	1.0
241.19482	1.2
243.13783	3.7
245.15370	1.1
247.13260	31.3
253.10686	3.0
253.19498	2.2
259.13165	5.0
259.20706	1.4
269.18979	1.9
271.13242	13.4
271.20508	6.7
275.16443	1.2
285.14828	1.8
287.12787	1.3
289.14288	8.2
289.21619	6.6
297.18399	2.0
299.16089	1.2
301.14185	1.2
303.15845	11.0
305.13745	1.1
311.19711	1.0
314.18530	1.4
315.19489	37.7
316.19785	1.9
321.17078	3.1
327.19495	1.3
329.21048	1.0
339.19647	3.9
349.12689	0.8
355.18970	10.5
357.20544	2.5
371.18130	1.0
371.22253	3.8
373.20059	41.4
374.20462	1.1
387.21939	2.0
389.23059	3.7
405.24075	1.3
423.25134	4.1
441.26218	5.0
455.27701	0.9
473.28470	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	473.2894
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02368	1.6
53.03938	9.8
55.01871	3.8
55.05505	22.6
57.03424	3.2
57.07067	1.0
65.03934	4.1
67.05499	51.8
69.03413	3.1
69.07060	8.9
71.04981	2.9
73.06537	0.9
74.82520	0.8
77.03875	1.0
79.05485	71.6
79.74560	0.8
81.03409	96.8
81.07046	42.7
82.03743	1.4
83.04507	1.1
83.04973	12.9
83.08610	20.5
85.02914	0.9
85.06524	1.8
91.05470	60.4
93.07034	44.0
94.07354	0.9
95.04958	37.6
95.08596	20.3
96.08918	0.7
97.02878	3.6
97.06529	5.7
97.10146	4.8
99.08109	1.2
103.04823	0.7
103.05482	2.4
105.04503	1.5
105.07021	40.5
106.07361	1.1
107.04947	11.3
107.08585	15.7
109.06509	7.6
109.10137	5.6
110.55964	0.7
111.04421	1.6
111.08065	7.2
115.05450	3.0
116.06211	0.9
117.07002	8.9
119.04966	1.4
119.08569	30.9
121.06498	5.1
121.10144	8.4
123.08047	6.1
125.09612	3.1
127.07550	1.2
128.06207	2.8
129.06992	20.8
131.07628	1.5
131.08556	13.5
133.06474	4.3
133.10117	11.7
135.08047	1.6
135.11661	2.3
137.09596	2.2
141.06938	2.3
141.09087	0.9
142.07784	3.5
143.08540	7.8
145.06436	1.9
145.10127	9.4
147.08086	5.9
147.11670	32.1
149.09650	4.3
155.08580	1.1
157.06442	1.4
157.10130	9.7
157.26086	0.9
159.11636	0.9
161.09607	4.4
161.13225	8.2
163.11127	1.9
165.09090	1.7
165.12828	1.2
169.10197	1.5
171.07985	1.7
171.11678	21.3
173.09615	1.3
175.11177	10.0
177.12672	0.8
179.14233	1.2
181.10146	0.9
185.13213	1.2
189.11166	1.7
189.12695	8.9
193.12222	29.6
207.11821	1.6
207.13783	26.4
225.14798	4.3
229.15959	1.7
249.14812	6.0
267.16095	0.8
281.17667	1.0
314.92719	0.7
363.23172	4.1
381.24225	4.9
399.25198	2.1
417.26279	1.1
455.28381	4.2
473.28976	100.0
474.29294	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	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.4
57.07067	7.9
60.08162	1.6
60.89659	1.3
65.33027	1.2
67.05491	3.1
69.07056	16.7
71.11737	2.0
75.90968	1.3
76.89706	1.3
79.05486	1.2
81.07043	2.5
83.01337	5.2
83.04987	1.4
85.06532	75.2
91.05434	2.8
93.07031	5.2
95.04919	1.8
105.07023	3.3
107.08569	6.7
109.10114	2.1
119.08568	2.3
121.06480	1.3
121.10124	14.7
123.08034	1.9
123.11717	4.1
133.10162	2.1
135.08008	2.3
135.11690	7.6
137.05942	2.4
145.06454	1.6
145.10086	3.2
151.03891	1.9
151.23972	1.3
151.85498	1.2
153.05461	7.0
155.03407	1.3
155.08510	1.5
161.09676	1.7
163.04005	1.3
163.07497	1.6
163.11180	2.2
165.05467	20.9
167.06935	1.3
171.82578	1.2
173.09552	6.2
175.07541	1.5
177.09073	1.6
178.30688	1.3
179.03369	25.2
183.07832	1.2
189.05580	1.3
189.09036	1.4
191.03355	2.9
191.07016	3.0
191.10689	2.2
197.04414	13.3
201.05336	1.3
201.09105	4.4
203.06985	2.2
204.07805	1.7
205.08601	1.4
207.11700	1.3
208.60793	1.5
215.10553	1.3
217.04878	1.2
217.08510	4.2
219.06595	2.0
219.10156	12.6
221.11731	8.5
229.08585	8.5
231.10246	1.6
235.09503	2.8
243.13770	5.8
245.08076	4.4
247.09631	100.0
248.10074	1.4
265.10693	71.4
271.13263	16.7
273.11414	1.3
273.14737	2.3
275.16394	4.7
276.98032	1.2
287.16461	9.4
289.14352	4.4
302.35001	1.2
315.15936	2.4
333.16995	7.1
336.34955	1.3
339.19501	2.5
343.22537	2.0
355.18805	2.0
358.77429	1.3
359.22507	1.5
369.20676	10.6
373.19989	3.8
383.54941	1.3
385.20056	7.0
387.21622	55.4
388.22186	2.1
402.60736	1.3
403.21127	1.9
403.71347	1.2
405.22778	3.8
429.74185	1.3
433.23441	2.4
455.28021	3.3
473.28665	1.8
473.34482	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	473.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73729	0.9
51.76494	0.9
53.03940	1.2
55.01840	1.1
55.05495	2.8
57.03421	1.4
57.07068	32.8
59.38862	0.9
59.93724	0.9
66.04358	1.1
67.05484	2.7
69.03402	2.9
69.07052	9.2
69.90176	7.3
73.91973	0.9
78.99182	0.9
79.05477	5.3
81.07037	5.5
83.00858	1.8
83.01325	20.3
83.04961	3.2
85.02898	1.7
85.06532	7.1
91.05460	4.9
93.07024	11.0
95.04952	3.0
95.08593	5.4
97.10149	1.1
99.04455	2.7
105.07011	10.5
107.08563	10.0
109.06464	1.2
109.10135	3.9
117.07019	2.6
119.08554	6.1
121.06469	1.5
121.10126	58.7
122.10884	4.1
123.08051	2.6
123.11616	1.1
129.06961	1.2
131.08530	2.6
133.06506	3.5
133.10094	6.8
135.11665	5.8
137.06136	1.0
141.06898	1.4
142.07784	1.2
143.08534	3.0
145.06398	2.1
145.10107	9.5
147.11650	2.7
149.09567	3.0
149.13222	1.6
151.03888	4.1
155.08546	1.9
157.10063	4.9
159.08015	2.1
159.11662	4.6
161.09637	1.8
163.07518	2.2
163.11182	5.5
167.07187	1.4
168.09319	1.9
169.10072	1.7
171.06607	1.9
171.08009	4.2
173.06032	1.9
173.09589	26.9
173.10931	2.1
175.07469	1.3
177.09042	1.5
182.10745	1.2
183.11646	4.6
185.08061	4.9
185.09564	2.0
185.13261	1.6
187.07524	2.7
187.11147	3.7
187.14728	1.1
189.05365	1.6
193.08496	1.3
195.10074	1.7
195.11774	1.2
197.13301	5.3
201.09084	22.3
201.12793	1.1
203.06906	1.5
203.14316	1.6
207.11804	1.2
209.08054	1.9
210.10376	2.4
211.07506	1.8
211.11229	1.8
213.09052	3.6
213.16307	1.8
215.06973	1.6
215.10617	4.4
215.14293	4.5
219.10074	1.2
225.12697	6.1
227.10606	1.7
228.11377	5.6
229.08592	35.2
229.12111	14.8
241.12350	1.2
243.13766	31.1
247.09555	1.8
253.12141	4.6
253.19283	1.9
255.13744	1.2
256.10876	1.7
259.13297	1.6
271.13257	100.0
272.13577	2.2
283.13031	1.2
289.14319	30.6
293.18936	1.4
303.15799	13.4
311.19965	4.6
321.17175	4.2
329.21082	2.1
337.17886	1.6
339.19543	15.0
355.18994	5.5
357.20578	3.4
371.22247	6.8
373.20023	21.5
387.21848	1.9
405.23050	4.2
423.25311	1.7
441.26117	5.4
459.27292	1.8
473.33270	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03936	7.2
54.54407	0.7
55.01866	5.8
55.05502	21.2
56.78343	0.8
57.03425	4.1
57.07074	2.6
59.26446	0.9
65.03919	4.5
65.43121	0.8
67.05495	50.1
69.03422	3.0
69.07059	9.8
71.04987	3.5
71.81062	1.1
73.06541	1.6
77.03925	1.6
79.05481	66.6
80.05824	1.3
81.03407	96.2
81.07045	41.6
82.03735	0.8
82.07436	1.3
83.04968	15.6
83.08608	21.5
83.09069	1.6
85.02893	1.4
85.06544	3.2
87.04461	0.9
91.05466	65.0
92.05814	1.1
93.07030	53.3
95.04952	42.1
95.08598	24.7
96.05319	1.5
97.02896	3.6
97.06528	4.9
97.10152	5.0
99.08090	1.2
102.75305	0.8
103.05473	2.2
105.04521	1.6
105.07014	45.9
107.04948	14.0
107.08572	16.1
109.02904	1.1
109.06497	8.0
109.10143	7.4
111.04449	2.7
111.08053	7.0
115.05476	3.8
117.06998	11.1
119.04913	1.3
119.08566	31.2
120.08928	1.2
121.06496	6.0
121.10133	7.7
123.04407	1.0
123.08054	7.0
124.73026	0.8
125.06005	0.9
125.09643	3.5
127.07516	1.3
128.06194	5.1
129.06990	23.0
131.08549	13.3
133.06485	5.7
133.10114	11.5
135.08072	2.1
135.11720	3.0
137.09654	2.4
141.06975	1.4
142.07797	3.2
143.08551	8.7
145.06454	2.0
145.10107	10.4
147.08009	4.9
147.11667	32.6
149.09621	6.0
151.07562	1.3
151.11115	0.9
155.08562	2.1
157.10098	8.7
159.08084	1.8
159.11749	2.5
161.09624	4.7
161.13257	7.4
163.11237	2.2
165.09140	2.5
165.12769	2.1
169.10231	1.6
171.11673	19.8
173.09630	1.9
175.11171	9.1
176.11568	1.2
177.12657	1.0
185.09627	1.6
189.09169	2.3
189.11200	1.6
189.12733	10.0
191.08713	0.9
193.12218	29.9
205.12248	1.6
207.13776	23.4
208.14272	1.4
211.13123	1.0
225.14929	3.9
229.16089	1.0
249.14742	5.2
253.49728	0.8
267.16013	2.0
273.03885	1.2
281.17505	2.1
286.04626	1.3
299.05582	1.6
311.09201	0.9
315.05203	1.1
329.10138	1.7
336.31992	1.0
359.16086	0.9
363.23126	1.8
381.20258	1.9
381.24420	2.8
399.25409	2.8
455.12964	1.0
455.27960	3.4
473.14517	3.0
473.29102	100.0
474.29840	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	473.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07406	1.6
56.34315	1.8
57.03405	1.7
68.02631	12.4
68.07242	1.7
69.03412	5.5
70.06597	9.6
71.77158	2.0
71.77513	1.8
79.01847	3.2
79.11510	1.8
81.03397	3.3
83.04973	55.4
83.54816	2.3
85.02896	2.3
86.09711	3.6
95.04974	2.3
95.69764	1.6
97.02885	5.6
99.04456	3.5
109.02844	3.1
111.04431	83.6
115.07581	3.0
123.04397	5.8
127.03931	9.1
128.43864	1.9
129.05507	1.9
139.03891	57.9
141.05449	8.1
151.68173	1.6
153.05429	6.0
155.03380	3.5
157.04944	100.0
163.03917	3.2
171.06499	42.1
207.06566	2.5
213.08696	2.2
223.05910	2.2
235.06119	2.7
238.06558	1.8
247.06055	2.3
249.07520	3.3
267.08740	2.2
279.08542	10.1
283.08029	2.4
301.09210	11.3
473.20474	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	473.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.03440	0.3
62.06176	0.2
67.05482	0.9
67.78382	0.3
69.03400	0.6
69.07062	0.3
70.65426	0.3
71.04982	0.2
71.81871	0.2
71.82224	0.3
76.83886	0.2
79.05468	0.3
81.07047	0.6
85.02904	1.1
86.05997	0.3
86.09688	0.4
91.05459	0.4
93.07042	0.5
95.08591	0.4
97.02889	0.5
105.06974	0.4
107.04910	0.7
109.10099	0.3
119.08567	0.2
127.03887	0.3
131.08530	0.3
137.05846	0.2
137.09618	0.2
145.04909	0.3
150.45605	0.2
163.03905	0.4
175.07526	0.3
183.11469	0.2
213.05457	0.3
229.04906	0.6
241.04912	6.6
245.02010	0.2
245.04428	0.8
247.02316	0.5
250.06253	0.3
253.04991	0.5
255.06505	1.5
257.04425	19.3
258.04791	0.3
265.08575	1.3
267.06427	0.3
268.03564	0.5
269.04428	7.5
269.08035	1.7
271.06033	0.7
278.05707	2.2
281.04413	1.5
282.05194	3.9
283.05954	2.2
283.09561	0.9
293.08057	5.3
295.06067	0.6
296.06839	3.1
311.09097	100.0
312.09418	2.3
327.03781	0.3
430.79446	0.3
473.14459	0.6
473.24277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70425	0.2
53.03910	0.8
55.01832	0.7
55.05471	0.2
56.28426	0.2
57.03425	1.6
59.04965	0.3
61.02921	3.0
66.79317	0.2
68.99760	0.3
69.03422	8.3
71.01327	0.3
71.04977	0.9
73.02900	1.4
74.57726	0.2
81.03410	2.7
81.06985	0.2
83.01293	0.3
85.02895	13.7
86.09698	1.7
87.04453	2.0
91.03954	1.1
97.02883	6.2
99.04456	1.2
105.06997	0.3
109.02858	1.8
114.30203	0.2
115.03858	0.3
119.90696	0.2
121.10131	0.2
127.03895	4.3
134.30498	0.2
145.02728	0.2
145.04939	3.0
153.01778	0.7
161.02351	0.2
163.07541	0.2
185.05951	0.5
195.08018	0.2
201.05368	0.3
203.06836	0.2
212.04677	0.3
213.05391	0.5
223.07555	0.2
229.04813	0.6
237.08934	0.3
240.04153	0.9
241.04930	3.4
243.02818	0.4
244.03644	0.4
245.04488	0.4
250.06271	0.6
251.07150	0.2
253.04950	4.8
254.05655	0.5
255.06442	0.6
257.04401	5.4
265.08533	0.3
266.05606	0.4
267.06436	0.7
268.07281	0.2
269.04428	15.8
269.07666	0.7
270.04837	0.3
276.07745	0.3
278.05737	0.3
281.04425	2.3
281.07416	0.3
282.05167	1.3
283.05960	2.6
283.09579	0.9
293.08063	15.3
294.08463	0.2
295.05957	6.7
296.06763	9.4
297.07330	0.7
309.07489	1.0
311.09097	100.0
312.09454	1.7
323.09036	0.6
335.09106	0.2
347.09235	0.2
353.10114	0.4
365.10129	0.2
377.10217	0.3
401.09872	0.2
407.11349	0.4
419.11365	0.2
437.12228	0.3
455.13147	0.2
473.14398	13.8
473.25476	0.5
474.14633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.6
54.28070	0.2
54.42291	0.2
55.01809	0.8
55.05483	0.2
57.03424	1.3
59.04976	0.2
61.02915	2.7
67.05468	0.3
69.03422	7.9
69.75359	0.5
69.75785	1.0
71.01328	0.2
71.04939	0.8
71.60474	0.2
73.02905	1.5
79.05431	0.2
81.03406	2.9
81.07030	0.3
83.01307	0.3
85.02895	13.4
87.04453	2.1
90.05132	0.2
91.03951	1.0
91.05393	0.2
93.06979	0.2
93.62584	0.2
97.02882	6.2
97.06509	0.2
98.98424	0.3
99.04440	1.5
101.02345	0.3
103.03848	0.3
105.06977	0.3
107.08494	0.2
109.02863	1.9
115.03866	0.5
117.44468	0.2
127.03033	0.3
127.03895	4.2
129.06918	0.2
133.10059	0.3
145.04941	2.8
152.06346	0.2
153.01736	0.5
176.04411	0.2
183.08014	0.2
185.05934	0.4
200.04698	0.2
201.05435	0.2
203.07021	0.3
203.65430	0.2
213.05415	0.5
229.04814	0.7
233.08012	0.7
237.05479	0.2
240.04141	1.1
241.04924	3.1
243.02831	0.6
244.03531	0.4
245.04495	0.4
246.35283	0.2
247.07460	0.3
250.06184	0.7
251.07025	0.3
253.04944	5.2
254.05664	0.3
255.06470	0.6
257.04428	5.5
265.08569	0.5
267.06488	0.6
268.07242	0.4
269.04422	16.1
269.07443	0.6
270.04810	0.5
275.06885	0.4
276.07803	0.3
277.04968	0.2
278.05609	0.5
281.04437	2.3
282.05225	1.3
283.05975	2.6
283.09555	0.9
293.08054	15.2
294.08426	0.3
295.05975	6.4
296.06763	9.6
297.07419	0.4
309.07538	0.8
311.09094	100.0
312.09451	2.3
323.09064	0.6
335.09070	0.2
353.17560	0.2
365.09854	0.3
377.10373	0.2
389.19479	0.8
407.11035	0.4
437.12088	0.4
455.24417	0.6
473.14444	13.0
473.25037	0.6
474.14716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.2
55.05492	8.6
57.03423	3.4
57.07062	2.8
59.04984	4.2
61.02904	4.1
65.03931	2.8
67.05155	2.9
67.05491	34.1
69.03411	11.6
69.07053	10.2
70.06582	2.9
70.26769	2.1
71.04982	34.4
73.02880	2.1
77.35573	1.8
79.05473	11.4
81.03403	8.3
81.07053	16.6
83.04971	13.7
83.08611	4.6
85.02891	25.4
85.06538	21.2
87.00800	2.2
87.04454	2.6
91.03938	2.3
91.05479	13.0
93.07033	23.2
95.04964	16.8
95.08591	37.5
97.02853	10.1
97.06512	31.9
99.04445	100.0
99.08062	4.9
101.06004	30.7
105.03381	3.4
105.07021	29.0
107.04923	3.4
107.08578	18.2
109.02837	3.2
109.06480	8.5
109.10122	12.4
109.97516	2.2
111.08059	8.3
113.09641	9.8
117.07037	4.1
119.08563	42.2
121.06465	8.6
121.10136	25.4
123.04390	3.9
123.08025	5.9
123.11684	4.4
125.09631	2.0
127.03893	11.7
128.06190	2.6
129.06950	3.4
129.09090	11.1
131.08531	8.1
133.06569	2.0
133.10114	25.9
135.08035	8.7
135.11630	5.6
137.05919	2.4
137.09610	9.8
141.06967	2.4
141.09052	3.2
142.07755	4.8
143.08537	18.0
144.93047	2.2
145.04913	8.8
145.10107	18.6
147.11670	49.2
149.09599	4.8
153.09079	10.0
155.08679	4.1
155.10649	99.3
156.09312	4.4
157.10132	23.4
159.11688	16.7
161.09557	5.4
163.11217	3.1
165.12732	4.7
169.08717	2.7
169.10138	4.9
170.10867	4.5
171.11726	13.2
173.09570	3.5
173.13196	9.6
175.11176	3.3
175.14796	35.3
183.11665	9.0
184.12463	6.9
187.14801	8.9
189.09099	14.2
191.10590	3.0
193.15817	16.0
195.13763	3.2
197.13222	13.6
199.14798	64.1
200.15025	2.6
201.12666	11.1
217.15857	7.0
219.13663	4.2
224.15709	2.3
227.17865	2.7
229.19653	3.5
233.07980	4.2
237.14862	2.8
239.17909	34.0
257.04428	3.4
257.18967	66.6
275.20010	34.2
293.21063	17.1
298.98349	2.1
311.09055	18.4
405.18719	2.6
441.15265	5.1
449.19626	2.3
455.24561	4.3
472.22275	27.6
473.13733	13.3
473.24841	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	471.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04399	1.1
67.05475	2.1
69.07050	9.7
69.46191	1.8
69.46593	14.2
79.05479	2.0
81.07033	5.2
91.05392	1.0
91.38003	1.3
93.07018	3.8
95.08609	2.2
105.06998	5.7
107.04932	4.6
107.08572	2.8
109.10136	2.6
114.32274	1.1
115.05423	1.2
121.06474	3.4
121.10091	2.1
123.11690	22.9
133.06447	7.1
135.04381	3.0
135.11638	5.2
151.03886	3.3
161.05931	9.7
163.03908	8.7
177.05438	3.8
181.04953	10.8
189.05443	73.7
190.05814	2.3
195.06485	5.4
196.52141	1.3
201.09081	1.7
205.08511	1.3
207.06500	100.0
208.06807	2.5
219.10121	31.6
225.07706	1.7
254.70540	1.3
261.11209	4.7
263.12753	49.7
275.16302	8.4
285.14783	4.4
317.17450	1.9
329.17432	77.6
330.17773	3.4
331.19070	9.4
341.21063	14.3
347.18533	7.9
359.22153	1.9
385.23691	7.8
397.23361	2.3
471.35355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29269	0.3
55.01856	0.5
57.03424	0.9
61.02911	0.9
64.79810	0.3
68.05000	0.5
69.03434	2.6
70.06577	0.8
71.04993	0.4
71.52015	0.7
72.08131	0.9
74.02418	0.4
81.03400	1.0
85.02898	4.8
91.05476	0.4
93.03380	1.2
97.02880	2.5
99.04422	0.4
109.02837	0.6
109.06544	0.4
114.05502	0.8
119.04939	0.5
121.02831	1.0
123.59969	0.3
127.03885	0.7
129.06972	0.5
135.04353	0.4
137.05904	0.4
139.03828	0.4
145.04912	0.5
145.06429	0.5
145.10075	1.2
147.04393	3.1
147.07996	0.4
148.04721	1.5
155.08548	0.7
157.06520	0.4
159.08112	0.6
161.05995	1.0
163.03825	1.1
163.07538	0.5
165.07115	0.5
173.09618	2.5
175.07581	0.6
179.03403	0.5
179.06989	2.6
183.08057	3.1
185.05956	1.4
186.05479	0.5
187.03860	0.5
187.07542	0.8
191.07013	1.0
199.07523	0.6
201.09100	6.0
203.07011	9.1
203.73709	0.4
211.07513	1.6
213.09093	0.9
215.07057	1.0
219.10167	1.1
228.10222	1.2
229.08582	16.1
229.10880	0.8
230.11537	0.5
231.10057	0.4
239.07068	0.6
246.11234	21.7
247.09613	0.9
247.11774	0.6
257.08047	1.3
259.95593	0.3
274.10535	0.3
275.09091	2.2
292.11758	100.0
293.12064	2.7
310.12805	14.6
454.17056	12.6
472.18063	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	472.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.4
57.07059	6.0
67.05483	6.6
69.03407	2.4
69.07061	7.0
71.04993	2.6
71.80771	1.9
75.04470	100.0
78.55116	1.3
79.05460	3.0
81.03436	1.6
81.07032	2.4
83.01336	2.2
83.04967	2.6
85.06520	8.0
91.05465	3.4
93.07008	1.6
95.04970	6.7
95.08571	3.9
101.61104	1.4
105.07011	3.3
107.08556	4.6
121.06535	2.3
123.04404	2.5
123.08030	2.0
130.07809	1.7
131.08540	2.0
145.10139	7.2
151.03867	7.7
159.08034	2.1
159.10205	2.7
173.09625	5.3
177.05457	2.0
179.03325	5.0
197.04463	3.6
201.09091	4.5
205.12257	2.4
211.06009	2.7
229.08565	4.2
233.11732	14.5
430.06561	1.5
473.17722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2198
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
51.08654	0.2
52.11813	0.2
55.05494	0.6
64.51643	0.3
69.03418	0.4
69.07045	0.6
70.07388	0.5
70.07812	1.2
79.05466	0.6
81.07048	1.3
83.04960	0.5
83.08603	0.3
85.02891	0.6
85.06512	0.4
91.05489	0.6
93.07023	0.9
95.08607	0.6
97.02894	0.4
97.06509	0.6
97.75858	0.3
98.21368	0.5
105.07024	0.6
107.08578	0.7
109.10155	0.6
117.06956	0.3
119.08546	0.5
121.10116	0.7
123.08052	0.3
123.11704	0.3
125.09600	0.5
131.08488	0.3
133.10086	0.5
135.11696	0.5
145.10109	0.3
147.11662	0.4
163.03891	0.3
165.07013	0.3
173.09578	0.6
175.11032	0.3
179.44696	0.2
185.04298	0.3
219.28577	0.2
222.74670	0.3
223.16895	0.5
233.07993	0.3
273.04068	0.3
309.16690	2.2
309.27859	0.5
340.16245	0.3
354.82346	0.3
398.98788	0.3
399.65082	0.3
471.21951	100.0
472.22293	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.0
56.86813	1.5
57.07072	2.0
58.94381	1.3
67.05496	11.6
69.07060	14.5
70.36270	1.3
70.97233	4.5
71.16633	1.5
79.05492	11.2
81.07048	100.0
83.08605	4.7
91.05450	1.9
93.07019	14.7
95.04959	2.2
95.08595	41.3
97.10174	3.5
105.07027	3.6
107.08580	12.6
109.10155	22.2
111.11694	2.0
119.08558	3.0
121.10119	12.4
123.11687	13.9
125.28369	1.7
133.10115	2.5
135.08014	1.7
135.11681	7.8
137.05963	3.2
137.13266	10.0
139.07466	2.5
141.05463	9.2
147.11667	2.4
149.05904	2.1
149.13235	11.7
151.07532	6.4
159.11649	1.9
161.05939	2.5
161.13161	1.7
163.14772	3.5
165.05415	1.9
165.08972	1.8
167.07014	55.0
175.07568	2.5
175.14827	2.7
177.16382	4.5
179.06956	2.4
181.08586	4.6
191.07025	2.6
193.08601	2.9
203.17914	1.8
205.08653	2.7
205.19460	2.3
207.10101	7.1
215.10591	2.4
221.11700	2.2
233.11732	5.7
259.13394	1.5
259.24191	3.8
275.16461	6.1
287.16504	1.9
301.18109	2.1
365.75317	1.8
425.30630	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	471.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.07074	0.4
61.01138	3.0
67.05476	1.1
68.99769	0.9
69.03407	0.8
71.02702	1.1
71.04974	0.4
72.04502	4.3
78.03329	0.4
78.03780	7.5
81.07021	0.7
85.02881	1.2
85.06516	0.9
87.00780	0.7
88.02199	3.2
91.05452	1.3
95.04954	0.9
95.08584	0.6
97.02859	1.0
98.02393	0.4
99.05545	1.1
102.03747	11.2
103.02160	0.6
105.01878	0.7
105.07011	5.0
109.02866	0.7
109.06489	0.8
113.05967	0.7
114.03762	0.7
117.06989	0.6
119.04967	0.5
119.08555	1.9
120.04774	1.1
123.04429	4.2
124.07594	0.7
125.07104	0.5
127.03873	0.9
129.06993	5.5
131.06372	7.0
131.08496	0.4
132.04761	8.3
132.05667	0.4
135.08026	0.5
137.02289	0.9
137.05969	2.3
142.08611	2.3
145.04977	0.5
147.04416	0.5
147.08028	5.6
149.07416	77.9
151.03868	0.6
151.07520	0.7
153.88612	0.4
157.06468	1.6
159.02829	0.4
159.05836	1.7
160.05151	6.2
164.04654	0.8
165.05498	0.5
165.09055	1.9
175.07523	37.1
177.05313	0.4
178.06195	0.9
184.09665	1.3
193.08577	100.0
194.08949	1.8
243.11613	1.4
257.96359	0.4
261.12650	33.0
264.12357	0.6
279.13672	2.5
341.15237	6.8
453.20407	4.1
471.21948	20.7
472.22174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01857	1.9
55.05487	1.3
57.03425	1.4
57.12971	0.5
59.04982	0.5
61.02935	0.4
62.56171	0.4
67.67895	0.4
69.03420	10.0
69.97414	2.3
69.97824	1.0
70.44025	0.5
71.04985	5.1
73.02904	0.6
80.79303	0.5
81.03407	24.3
81.07021	1.4
83.04970	5.5
85.02885	3.0
86.09686	0.8
91.05466	0.8
93.07027	0.7
95.08569	0.9
97.06480	1.0
99.04448	11.0
100.11237	0.8
103.03931	2.0
104.10727	1.3
105.11056	0.5
109.02867	9.7
109.06513	0.8
112.61775	0.5
117.05486	2.2
118.06521	2.4
121.06488	1.3
122.06742	0.8
123.04416	0.7
124.89336	0.5
127.03890	2.7
128.60580	0.5
145.07562	3.5
147.09151	7.4
147.11674	0.6
148.11888	0.7
159.06509	0.5
162.07834	0.9
163.08731	1.0
173.05679	0.7
173.07089	8.2
175.08662	10.5
182.15421	0.7
184.07272	1.2
190.07329	0.8
190.13113	0.6
191.08134	100.0
192.08470	1.3
198.14891	0.7
199.08553	0.8
199.11232	0.7
203.08093	1.0
204.08934	1.8
210.14880	1.7
213.10216	0.7
215.06967	1.3
215.11905	0.6
217.12206	1.1
218.12589	1.6
221.08066	0.6
226.14262	0.5
231.11314	1.0
233.07967	6.3
234.08769	3.4
235.13274	0.8
236.13623	2.8
243.11201	0.6
245.08093	3.6
247.09760	1.5
248.06877	0.6
253.14276	2.1
254.14583	3.3
257.04669	0.5
259.09738	1.0
260.09985	0.5
261.07605	0.7
263.09140	9.7
271.10803	2.4
272.15793	0.6
273.11185	1.1
275.09415	0.5
277.10678	1.9
287.09070	1.9
289.11792	8.8
290.16788	0.6
301.10739	0.5
305.05496	1.4
307.12845	34.7
308.13092	0.9
325.13913	33.8
329.06100	0.5
329.10205	0.9
331.12848	7.8
347.11285	0.5
349.13882	8.7
354.23807	0.6
371.15869	1.3
389.16953	4.3
391.14865	0.9
397.13998	4.8
407.17911	1.1
415.09500	0.8
415.14960	13.3
433.10330	1.0
433.15997	13.8
451.12082	1.0
451.17178	13.8
452.17267	0.8
452.31201	1.2
469.13062	3.3
469.23648	0.6
469.33920	1.7
485.03601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03159	0.7
53.03937	6.4
55.01860	2.8
61.02901	2.0
62.49478	0.8
65.03923	3.5
67.05499	5.5
67.96055	0.7
69.03427	1.8
70.25471	1.1
70.25872	1.8
71.01337	1.2
73.63275	0.7
77.03881	1.1
79.05468	2.5
79.32734	0.7
81.03423	2.0
81.07019	2.1
82.04186	1.0
83.04945	1.4
85.02897	2.0
91.05467	3.8
93.03352	0.7
95.04955	67.8
97.02879	1.2
97.06474	0.8
98.21407	0.7
99.04444	2.0
105.03382	1.8
105.04462	2.1
107.04948	2.6
108.02094	1.4
109.02856	2.2
109.06493	1.7
110.03648	1.0
111.04427	4.2
119.04915	1.5
121.06481	2.5
123.04414	77.8
125.02287	1.3
125.05935	1.3
127.03899	5.0
127.07575	0.9
131.04901	1.3
131.08652	0.7
133.02814	4.2
133.06441	0.9
135.04388	2.0
137.02286	1.6
137.05951	5.9
139.03882	8.1
140.04660	23.9
141.05376	0.8
147.04393	2.1
147.09129	1.7
148.05122	0.9
149.05931	2.7
151.03883	2.1
151.07516	2.2
153.05478	3.0
154.06285	0.9
155.07008	40.8
161.05975	1.7
163.03928	3.5
165.05461	8.0
166.06233	1.0
167.07024	18.5
171.06483	1.2
177.05466	5.6
179.03406	1.0
179.07019	3.1
180.07814	4.5
181.04936	28.0
182.05658	1.1
183.06508	100.0
184.06897	1.2
187.07492	1.4
191.08275	4.2
191.09752	0.9
193.04951	4.2
195.06480	7.0
197.08076	1.4
200.04642	1.2
207.02811	1.3
207.06441	4.4
208.07285	10.1
209.08092	6.5
215.07037	1.7
219.06456	1.0
225.07545	23.1
226.08330	5.0
227.09004	3.7
243.08617	2.5
259.09570	2.2
260.09909	0.8
269.10049	1.5
277.10736	4.5
307.12900	2.4
325.13718	1.1
331.11850	0.8
359.11261	1.1
469.11154	1.2
469.18835	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	469.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03938	6.9
55.01855	3.5
57.03416	1.2
61.02936	1.3
65.03920	3.6
67.05499	4.7
69.03426	2.7
70.06565	0.8
70.79405	2.8
71.04971	1.0
79.05480	2.5
81.03400	3.3
81.07040	1.4
82.04124	1.0
83.04957	1.0
85.02876	2.1
91.05471	3.8
93.03359	1.1
93.07027	0.8
95.04961	65.0
97.02860	1.7
97.06522	1.3
99.04436	3.8
101.13596	0.8
105.03361	0.8
105.04495	1.9
107.04942	2.3
108.02106	1.5
109.02870	1.6
109.06517	2.6
110.03661	1.1
111.04410	3.1
119.04917	2.1
121.06475	0.9
123.04419	71.1
125.02302	1.5
125.05975	1.3
127.03899	5.9
131.04895	1.7
133.02835	3.0
133.06476	1.3
135.04413	2.5
137.02296	1.4
137.05954	5.9
139.03888	3.4
139.07559	1.1
140.04678	21.3
141.05440	1.1
145.04982	1.6
147.04388	2.7
147.09166	1.3
149.05942	3.6
149.17668	0.7
151.03886	2.0
151.07486	1.9
153.01801	1.0
153.05455	3.3
155.07019	40.8
161.05957	1.3
163.03874	5.3
165.05453	8.2
166.06200	1.4
167.07025	16.5
167.08388	1.5
171.06485	1.4
175.03975	0.9
177.05489	5.3
179.07025	3.7
180.07782	2.8
181.04945	27.9
183.06511	100.0
184.06834	0.9
186.47722	0.8
187.07507	1.7
191.08281	5.0
193.04900	4.7
195.06444	4.4
207.02827	1.3
207.06474	4.1
208.07289	9.0
209.08051	6.3
215.06958	2.2
219.06552	1.0
225.07553	22.0
226.08305	6.5
227.09106	3.2
243.08682	1.2
259.09665	3.1
260.09970	1.4
269.10190	1.4
277.10712	4.0
307.12817	2.7
325.13919	1.7
331.11676	0.9
359.11145	1.3
362.64557	0.7
469.11670	1.1
469.18484	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	469.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40732	0.1
55.05463	0.1
60.67597	0.1
67.05465	0.2
68.74034	0.1
69.03379	0.2
69.07003	0.4
70.72695	0.1
71.22559	0.3
73.02890	0.1
79.05431	0.3
81.03374	0.2
81.07002	0.2
83.08520	0.1
85.02851	0.3
89.03864	0.2
91.05378	0.1
95.04891	0.2
95.08584	0.2
95.09218	0.1
97.06522	2.3
98.06814	0.2
99.04430	0.2
99.08062	0.1
117.03376	0.1
123.04368	0.3
126.00833	0.1
127.03852	0.2
133.10045	0.1
135.04388	0.5
137.05920	0.1
145.02794	0.2
153.01773	0.3
159.04343	0.2
161.02338	0.5
163.03877	1.9
164.04233	0.2
165.01834	0.2
173.02333	1.3
174.02657	0.1
177.05367	0.1
179.03387	0.3
205.04938	2.3
206.05719	9.1
207.05975	0.2
215.07021	2.1
216.07443	0.1
221.08066	100.0
222.08394	2.3
231.02930	0.2
239.64159	0.1
259.02359	0.1
259.09622	3.1
260.10028	0.9
272.19467	0.2
277.10684	2.5
307.15659	0.1
383.13321	1.3
469.13541	4.0
469.20621	0.7
469.37527	0.2
470.13873	0.2
489.48785	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	469.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05485	0.7
55.99662	0.5
57.03419	0.7
61.02898	0.7
67.05486	1.1
69.03421	2.9
69.07057	0.5
69.75487	1.9
69.75915	2.5
71.04968	1.2
79.01836	1.2
79.05479	0.6
81.03402	3.8
81.07055	1.1
83.04961	1.2
85.02884	4.2
85.06593	0.7
87.00802	1.0
91.05408	0.7
95.04938	1.0
97.02850	0.6
97.06510	3.0
98.06808	0.6
98.21471	1.0
99.04442	1.9
100.11212	1.0
103.03896	3.0
105.01791	0.7
105.07002	0.8
109.02854	2.3
111.04446	1.0
118.06485	0.6
119.04808	0.6
121.10083	0.6
123.04382	2.1
127.03903	1.1
129.01807	0.8
139.03819	0.8
145.07542	0.7
147.04385	1.2
147.09154	1.0
161.05983	1.2
162.34364	0.5
163.03857	2.7
165.01785	1.7
165.05475	1.3
173.02296	0.7
175.08664	1.7
177.05550	0.7
177.09094	0.8
182.15451	0.9
183.02788	1.4
185.04124	0.9
189.05446	1.1
189.09045	0.8
190.09332	0.7
191.06564	0.9
191.08147	13.2
193.08556	1.9
194.21088	0.6
196.08345	0.6
198.14821	1.0
205.08545	1.7
206.09335	2.2
209.08090	1.3
210.14819	1.9
213.09122	0.8
214.09473	0.8
215.06993	4.1
216.07446	1.0
217.04912	1.5
217.08598	1.9
218.05695	2.2
219.06502	2.2
220.07275	2.1
221.08032	5.3
226.14417	1.1
229.04936	1.0
230.05742	1.3
231.06465	1.9
232.07227	1.3
233.08052	58.2
234.08809	22.5
235.09373	1.0
244.07121	0.7
245.08067	34.6
246.08434	0.8
247.05916	1.3
247.09628	11.0
248.06795	3.9
255.10034	0.6
257.08109	2.7
258.08813	3.4
259.05942	1.5
259.09598	8.1
260.07214	0.8
260.09921	4.1
261.04099	0.6
261.04987	0.7
261.07538	4.4
263.09106	100.0
264.09491	2.9
271.09698	1.0
273.07574	2.0
273.11142	6.0
275.09082	4.7
277.10727	4.1
283.09555	2.3
283.75385	0.7
285.07471	0.7
287.09082	18.4
289.11761	1.3
293.10147	3.0
299.09152	0.7
301.10718	3.3
305.05676	0.8
305.10205	1.1
307.05954	0.6
307.11398	9.6
311.09033	3.8
313.10532	0.9
317.06729	0.7
317.10129	1.5
325.13931	3.9
329.10159	10.0
331.12701	0.9
337.21039	0.8
343.12228	0.6
347.11267	5.4
349.13980	0.9
365.12296	2.2
383.13358	1.7
389.12390	5.2
393.73831	0.6
397.13843	0.7
407.13406	4.3
415.14944	1.7
425.14200	2.0
433.11124	7.4
433.16174	2.0
451.12170	14.4
452.12561	0.9
454.70737	0.6
469.13287	36.3
469.33731	2.0
470.13708	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	469.1126
Annotation	Cadensin G
Peak:m/z	Relative Intensity
53.03918	0.4
55.01849	0.4
55.05471	0.2
61.00855	0.2
67.01817	0.2
68.99772	0.2
69.94489	1.3
77.03931	0.2
78.04677	0.2
79.01849	0.2
79.05458	0.7
81.07033	0.3
83.04924	0.2
89.03867	0.3
91.05480	1.7
93.06998	0.6
95.04927	0.9
97.06517	0.2
98.20752	0.2
102.04655	0.4
103.05447	3.3
105.06985	0.9
107.04907	0.7
115.05404	0.3
115.96835	0.2
117.03354	0.3
118.04155	2.0
119.04874	0.6
120.05685	0.4
121.02782	0.3
121.06502	2.0
123.04370	0.6
125.02280	0.2
130.04135	1.5
131.04906	3.9
132.05685	1.5
133.02812	0.8
133.06483	1.0
135.04381	0.4
137.05911	0.4
138.08513	0.2
140.04686	1.3
146.03589	0.9
147.00682	0.5
147.04413	1.4
148.05190	1.3
148.66566	0.2
149.05934	1.5
153.01801	0.6
153.05354	0.3
154.06189	0.5
155.06992	0.6
159.04356	0.3
160.05162	0.6
161.02368	0.2
161.05965	2.0
162.03069	0.3
163.03870	0.9
165.05441	0.7
166.06165	0.5
167.07022	3.1
173.05945	0.6
176.04660	2.9
177.05450	2.4
178.06189	0.7
179.06989	0.6
180.07774	0.9
182.09459	0.3
187.03908	0.9
188.04680	0.3
191.03377	0.4
191.06998	4.5
192.07735	1.7
193.04936	0.5
193.08612	1.1
203.03383	2.3
204.04070	0.6
205.04965	0.5
208.07188	0.2
209.08101	0.4
210.08853	0.4
215.03354	1.4
216.04149	4.2
219.02705	0.3
227.03305	0.2
231.02855	100.0
232.03450	2.9
243.02884	1.1
244.03625	1.3
245.04341	1.5
257.04459	0.6
259.02350	30.7
260.03128	10.3
261.03918	15.8
271.02298	0.8
273.03989	0.3
285.03641	0.2
297.04028	0.4
315.04919	4.8
319.05969	0.2
331.06100	0.2
347.05600	0.2
419.07654	0.5
439.10162	3.3
451.10196	28.8
452.10522	0.6
469.11261	52.7
470.11664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1125
Annotation	Cadensin G
Peak:m/z	Relative Intensity
53.03912	0.6
55.05490	1.1
67.05501	3.1
68.99764	1.2
69.07035	0.8
70.06568	0.6
71.77793	0.7
79.05454	1.7
81.03413	1.0
81.07012	2.6
83.04931	0.7
84.82927	0.7
91.05018	0.7
91.05464	6.6
91.68586	0.8
93.07026	1.0
95.04939	1.5
95.08551	1.9
102.04630	1.3
103.05428	1.7
104.47257	0.6
105.06987	2.9
107.04917	1.5
107.08553	1.2
109.02800	1.0
109.10122	1.7
113.05978	0.8
115.05467	0.7
119.04933	4.5
119.08533	1.4
121.02780	0.6
121.06445	0.7
121.10110	1.4
122.03622	0.7
123.04435	0.7
130.04108	3.3
131.04900	3.1
131.08539	0.9
133.02805	1.8
133.06458	0.8
134.03596	1.0
135.04323	1.0
135.08002	0.7
137.02272	1.8
137.05901	2.7
139.03838	0.9
145.02905	0.7
146.03604	3.6
147.04401	9.3
147.11656	0.9
149.05945	2.9
150.06699	1.7
153.01779	1.7
161.05959	4.7
162.06755	5.8
163.03860	1.8
163.07501	2.0
165.01756	2.1
170.02098	1.0
177.05438	1.8
178.02586	1.1
179.07086	0.7
183.02972	0.8
188.04752	0.9
189.01758	4.3
190.02586	21.7
192.04103	1.2
203.03351	3.4
205.04948	5.1
211.70166	0.7
215.03270	1.6
215.10561	0.9
216.04152	3.4
217.04910	1.6
218.02042	9.6
219.57224	0.6
227.03397	1.4
231.02806	3.2
233.04422	22.0
243.02936	1.1
244.03622	5.9
245.04442	6.3
246.01581	7.0
247.02402	1.7
248.03172	1.3
257.04333	1.0
259.02328	2.8
260.03171	1.2
261.03906	100.0
262.04279	1.2
272.03091	4.8
273.03934	5.7
274.04727	1.3
275.05429	1.2
276.02637	8.0
276.91483	0.6
287.05502	1.7
289.03391	74.3
290.03937	4.1
291.04947	17.1
301.03168	0.8
333.05807	1.0
345.06122	3.1
419.07605	1.6
436.07983	0.8
439.10159	8.4
451.10165	41.5
452.10501	1.2
469.11243	99.2
470.11627	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	468.31
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05493	3.9
57.07066	12.6
67.05496	5.4
69.06702	0.9
69.07061	15.8
69.55888	0.8
71.08617	1.2
71.41340	1.4
71.41695	2.1
72.04232	0.8
79.05498	1.4
81.07058	6.4
83.08598	2.8
85.06524	1.9
89.06020	10.5
91.05465	2.0
93.07037	6.2
95.08601	6.2
97.10133	1.1
105.07020	3.3
107.08580	6.2
109.10152	7.5
119.08560	1.5
121.06457	1.0
121.10167	7.4
123.08052	1.5
123.11721	4.6
129.04865	0.9
129.06946	1.1
131.08553	2.1
133.08559	5.0
133.10063	2.0
135.11665	4.3
143.08571	1.9
145.10100	2.7
147.08012	2.2
147.11636	1.0
157.06491	1.4
157.10115	1.8
159.08057	1.4
159.11656	1.4
163.14775	2.9
171.11749	2.5
173.09601	4.0
173.13214	2.2
177.11218	2.5
177.16388	4.3
187.14772	1.1
189.09085	3.2
191.07022	1.3
201.12747	3.9
201.16385	1.4
203.07001	2.9
204.07382	1.4
209.07994	1.7
212.23643	1.6
213.09048	2.0
213.12753	2.3
215.10591	1.7
219.10072	2.2
221.08073	2.8
223.11128	1.2
227.10582	2.4
230.24753	4.3
239.10645	1.6
241.12129	3.1
243.13937	1.1
245.11806	1.8
253.12439	1.1
255.13809	1.8
259.13184	2.1
262.07449	1.2
267.13690	1.8
273.14871	1.8
275.16385	1.2
279.13849	1.2
281.15311	2.6
283.17462	7.3
283.20535	4.6
285.15073	1.4
286.15173	1.3
287.16315	1.7
299.16348	1.5
309.18402	4.7
327.19479	3.1
335.19888	1.5
339.19315	1.6
341.20840	2.0
342.21365	2.8
343.18839	1.5
344.19299	4.1
353.20981	2.5
367.22824	1.0
391.26382	1.7
400.25833	1.1
409.27289	13.9
412.21582	2.5
432.25842	2.6
450.26685	8.0
468.31577	100.0
468.47644	2.7
469.31165	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
55.01849	3.1
55.05494	4.8
57.03416	4.8
60.08138	4.5
61.02901	4.2
67.05482	5.2
69.03414	13.9
69.07060	4.7
69.09321	1.1
69.45123	3.6
69.45531	8.9
71.04987	9.4
71.07375	1.2
73.02887	1.5
79.05475	7.4
81.02952	2.1
81.03402	23.1
81.06622	1.5
81.07044	18.5
81.66032	1.2
83.04971	9.7
83.08598	2.7
85.02892	14.3
85.06525	2.8
86.03207	2.5
86.09692	15.8
87.03296	1.6
91.05451	5.7
93.07021	24.3
95.04945	6.3
95.08588	21.9
97.02850	4.6
97.06521	13.4
98.03171	1.5
98.20751	2.3
99.04443	20.3
101.06010	1.7
103.03898	1.3
104.10725	31.0
105.07014	12.6
106.03280	1.2
107.04908	3.7
107.08576	11.7
109.02837	8.4
109.06507	14.5
109.10101	2.7
111.08078	8.1
113.05968	2.8
117.05447	2.1
117.95425	1.0
118.06492	1.7
119.08569	9.1
121.05615	2.3
121.06484	41.5
121.10109	2.6
123.04399	4.1
123.08026	2.5
123.11678	3.3
125.00007	5.7
125.05968	8.8
127.03868	5.3
127.07559	5.9
128.04253	1.3
131.08557	2.1
133.06436	3.1
133.10117	9.5
135.04358	2.5
135.08009	7.7
137.02303	1.7
137.05939	1.9
139.07527	11.5
141.05435	2.0
141.07059	1.2
142.07787	1.7
143.07037	6.4
143.08517	3.0
145.07581	2.1
145.10088	3.2
146.06032	2.1
147.08078	2.3
147.09157	7.2
147.11665	25.2
148.07550	1.2
149.13237	1.9
151.07579	1.2
153.01813	3.3
154.02122	1.8
155.06955	1.2
156.09328	2.1
157.08580	9.0
157.10091	6.7
157.12192	1.1
159.06467	4.6
161.13275	5.6
163.14726	1.7
165.12738	8.6
169.12247	10.3
171.11676	5.9
173.07063	8.2
175.08783	8.2
175.11148	16.3
181.10089	2.8
184.07307	31.7
184.08926	2.2
189.12729	12.9
191.08118	74.2
193.12215	14.7
197.05949	1.7
199.11140	14.7
207.13814	8.4
211.13264	17.8
215.06999	3.6
217.10120	2.8
217.12213	45.7
229.14268	9.0
230.05225	3.2
233.07994	3.6
234.08786	2.0
235.13251	74.9
236.13547	2.0
245.08018	2.7
253.14305	100.0
254.14749	1.5
258.04828	1.9
259.09613	7.2
263.09009	9.4
271.10797	2.4
271.15393	21.0
287.09088	2.0
289.11768	4.8
289.16400	20.7
299.13852	1.7
303.04990	13.6
304.05304	36.4
304.10562	1.4
305.05530	32.4
306.05762	52.9
307.05923	3.2
307.12848	24.8
325.13898	26.3
329.10062	1.3
331.12802	5.3
349.13797	5.5
389.16837	3.2
397.13919	5.6
415.14926	12.2
433.11227	1.2
433.16061	11.2
450.22076	2.4
451.11887	1.2
451.17200	12.2
468.17532	1.7
468.23410	14.0
469.13385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01861	3.1
55.05507	1.2
56.63168	0.6
57.03422	1.4
57.07066	0.7
61.02903	1.4
67.05486	1.8
69.03415	2.8
69.07066	4.2
71.04971	2.1
71.08619	43.4
71.80009	0.6
71.85818	0.5
73.02898	3.6
73.06549	3.3
79.05473	3.9
81.03389	1.6
81.07040	2.4
83.04952	1.1
85.02892	8.7
87.04444	0.8
91.03936	0.7
93.07003	1.4
95.04974	1.0
95.08627	0.8
97.02869	5.7
97.06516	29.3
99.04448	0.8
99.08073	57.2
101.02360	34.7
103.03928	1.4
105.07001	0.8
107.08554	0.7
109.02864	1.2
109.10128	0.9
113.05991	6.6
114.09148	0.9
117.03377	1.0
119.03361	0.8
121.10107	1.0
127.03883	2.0
127.07479	0.6
129.05458	2.0
133.04932	0.6
133.10078	0.9
135.04385	2.2
135.11674	0.5
139.03853	1.5
145.02786	2.4
145.04953	2.4
147.04305	0.5
151.03877	1.3
153.12666	1.4
155.07002	12.1
159.04388	1.2
161.02316	4.2
161.05975	0.6
163.03885	16.9
171.12314	0.8
171.13780	16.7
173.02310	11.5
173.08066	1.1
174.07671	0.7
180.08643	1.7
184.34132	0.6
185.05937	0.9
191.03378	0.7
215.07001	16.4
219.10008	0.7
220.10645	0.7
259.09619	56.8
260.09982	1.3
271.15353	100.0
272.15579	1.2
277.10678	2.5
343.95786	0.6
378.90808	0.6
468.36572	0.7
469.12259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.4
55.05497	1.6
57.03430	0.8
62.94118	0.8
65.03913	1.1
67.05492	5.3
69.03382	1.4
69.07053	4.2
71.01346	3.6
71.04942	0.9
71.79361	0.7
79.05478	4.3
81.07029	0.9
83.04971	4.5
85.02882	2.5
90.47445	0.7
91.05457	2.3
93.07052	1.2
95.04951	14.0
97.06513	22.5
109.02873	1.6
111.04432	3.3
115.05438	1.0
116.75828	0.8
117.07024	0.8
123.04408	2.3
128.06178	1.0
129.05467	1.1
129.07007	1.0
131.04883	1.1
131.08519	1.3
133.06537	0.8
134.63669	0.7
135.04369	2.7
135.26508	0.7
139.03879	1.7
141.06981	3.6
143.04961	1.1
143.08501	2.1
145.02850	0.8
145.06442	1.0
146.06047	0.8
147.04439	1.6
149.05881	0.7
152.06218	1.0
157.04935	2.2
157.06422	0.7
157.10043	1.6
160.05186	8.1
161.02347	1.0
161.05946	26.2
163.03886	30.4
165.05432	2.6
167.07001	3.7
167.08517	2.5
168.07330	2.0
169.06467	2.5
171.08006	1.1
173.05945	5.2
175.03876	3.0
175.06093	1.3
175.07524	3.4
177.05432	2.1
184.05191	1.0
184.07298	1.6
185.06026	1.9
185.09578	1.9
187.07562	3.9
189.01759	1.1
189.05475	2.4
189.09077	37.2
195.08009	5.1
198.06825	1.6
200.04706	1.0
201.09009	1.4
202.06123	1.1
203.10638	1.4
207.02948	1.8
209.04492	1.5
211.07683	0.8
213.05678	0.8
213.09125	10.0
215.06993	38.3
215.10582	2.9
217.05075	1.1
217.08574	11.1
223.07616	1.3
231.10118	6.7
233.07973	2.1
241.08485	3.0
249.11134	2.2
259.09628	100.0
260.09976	2.2
277.10675	12.3
306.05829	1.1
369.39050	0.8
399.86230	0.8
433.15347	0.9
451.15897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05506	1.6
57.03431	2.7
62.07643	0.9
65.03913	1.0
67.05511	4.7
69.03421	2.9
69.07067	6.1
69.70060	8.8
71.01353	2.7
79.05495	5.1
81.07053	1.2
83.04983	5.7
85.02898	1.4
91.05496	2.0
92.52221	0.9
93.07012	1.1
95.04963	7.5
97.02900	5.1
97.06518	31.8
98.96060	1.1
105.07022	1.5
107.04936	1.4
107.08677	1.2
111.04450	2.3
115.05460	2.2
117.03342	1.5
121.10078	1.5
123.04434	3.3
128.06213	1.4
129.07011	3.9
131.08569	1.3
133.06494	1.1
135.04425	4.2
137.05988	1.6
139.03871	1.9
139.64610	1.0
141.06973	3.3
142.07756	1.2
143.04961	2.0
143.08549	4.1
145.02863	1.5
147.04417	2.7
149.05974	1.7
152.06207	2.7
154.02013	1.0
157.05009	2.1
157.06473	4.7
157.10149	4.5
160.05188	4.0
161.02338	1.7
161.05956	26.4
163.03891	35.8
165.06940	1.5
167.08528	13.3
169.06514	4.5
170.07321	1.1
171.08051	4.7
173.02345	3.4
173.05943	11.2
174.06735	5.7
175.03894	5.6
175.06133	1.7
175.07513	10.3
177.05452	2.8
181.06456	2.3
184.05150	9.4
185.05945	8.6
185.09587	6.1
187.07527	7.9
189.01865	1.3
189.05493	4.8
189.09079	19.9
193.07068	1.4
195.08023	18.1
195.09706	1.4
197.05994	4.0
198.06720	4.4
199.07535	3.7
201.05437	1.5
201.09119	2.6
202.06271	1.1
203.07016	10.7
203.10571	2.2
207.02858	2.8
209.04648	1.1
212.04636	1.7
213.05486	2.9
213.09076	41.4
215.07010	26.0
215.10530	6.6
217.08598	14.3
223.07500	4.7
226.06180	3.3
230.05438	1.3
231.10144	18.8
241.08588	33.1
259.09644	100.0
260.06238	0.9
260.09985	1.7
277.10736	7.1
279.65756	1.0
287.05515	4.4
288.05792	9.3
304.05402	1.4
306.06387	1.7
433.14862	2.7
451.16205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
67.05496	4.5
69.03465	1.4
69.07058	4.7
70.95210	2.9
71.01342	2.0
71.04982	4.1
75.99543	1.4
79.05479	3.2
83.04965	5.0
85.02901	5.1
86.09687	1.6
91.05470	2.1
95.04949	9.5
97.06525	22.6
101.38571	1.3
103.07491	1.2
104.10741	2.4
109.02863	2.3
111.04431	2.9
115.05431	2.1
121.06461	1.7
123.04404	4.2
129.05495	2.8
129.06996	1.6
131.04941	2.0
131.08540	1.8
135.04387	3.6
141.06970	2.3
143.08568	2.1
145.02824	1.2
147.04407	1.9
157.06502	1.7
157.10088	1.5
160.05220	6.4
161.05960	21.0
163.02513	2.4
163.03885	35.1
167.08582	4.1
169.06543	3.0
171.08018	2.7
173.05927	8.1
174.06725	1.5
175.03894	4.4
175.07561	3.5
177.05554	1.6
184.05112	1.5
184.07401	3.1
185.05991	3.0
185.09651	3.9
187.07545	2.6
189.01923	2.0
189.05545	5.8
189.09082	30.5
195.08063	5.9
197.05978	2.9
197.80988	1.4
200.04724	2.3
201.09021	2.4
203.06917	2.4
203.10693	2.2
207.02866	2.3
209.04506	1.5
213.09074	15.6
215.07008	31.8
215.10637	2.7
217.08554	8.5
231.10130	9.3
233.08168	2.7
241.08606	8.3
249.11079	1.8
259.09644	100.0
260.10010	2.4
263.09070	1.8
277.10651	9.6
303.05051	1.8
304.05322	3.9
305.05594	4.5
306.05826	4.2
433.15460	1.4
443.14694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63009	0.6
53.03929	0.8
54.09003	0.6
55.01852	0.7
57.07049	1.7
65.03922	0.7
67.05479	2.7
69.07062	10.8
71.41213	1.3
71.41542	0.7
79.05473	2.4
79.36755	0.6
81.07053	6.6
91.05479	3.4
93.07033	6.4
95.08598	2.5
105.07012	2.2
107.04926	1.1
107.08585	7.1
109.06504	0.9
109.10130	2.7
110.02358	0.6
117.06959	1.0
119.08552	2.3
121.06499	5.8
121.10131	1.6
123.11688	24.3
129.06987	1.9
129.79332	0.6
133.06459	2.0
133.10181	0.9
135.04401	2.0
135.08043	8.7
135.11678	13.8
137.57343	0.7
147.08052	5.3
147.11713	0.8
149.05983	1.5
151.03917	5.9
157.06487	2.1
161.05959	9.6
163.03886	16.5
163.07545	1.2
165.05429	0.8
175.03912	0.9
175.07526	14.2
177.05492	3.0
181.04939	12.2
185.05971	2.8
191.06978	5.9
193.08606	0.9
199.07625	0.7
201.09111	1.0
203.07008	74.0
205.08592	1.5
207.10172	2.5
209.08104	5.7
213.12753	0.7
217.08577	2.0
219.10143	54.5
221.08070	60.5
229.08670	1.4
229.12099	1.0
241.08401	0.9
257.11673	0.9
259.13315	2.4
265.14374	2.4
267.13788	2.8
269.11697	1.3
273.14832	3.0
275.12823	2.2
275.16351	1.3
277.14334	29.2
285.14828	10.3
289.14218	1.7
307.16797	1.6
325.17975	3.4
331.19174	1.3
341.21088	56.7
342.21417	2.3
343.19003	100.0
344.19403	2.4
345.20621	1.2
381.24103	0.9
395.25409	0.9
397.23608	2.7
399.25250	7.8
411.25278	10.9
417.73257	0.7
426.10025	0.8
450.21069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01856	1.1
55.05516	1.3
57.07065	3.5
67.05492	5.6
68.56283	0.8
69.03439	0.9
69.07059	14.6
71.41225	1.3
71.41579	1.1
79.05476	3.2
81.07050	9.4
85.10161	1.0
91.05466	3.5
93.07038	5.7
95.04956	1.3
95.08609	3.9
97.09198	0.8
104.08363	0.8
105.07021	3.0
107.04958	1.2
107.08578	8.1
109.06487	0.8
109.10164	5.7
117.07011	1.3
118.77727	0.8
119.04984	1.0
119.08560	3.2
121.06467	4.8
121.10136	2.7
123.11684	27.3
128.70804	0.8
131.08528	1.1
133.06491	2.7
135.04410	5.8
135.08031	11.3
135.11658	11.9
147.08011	6.7
149.05963	1.9
151.03882	6.3
157.06456	4.5
161.05969	12.9
163.03888	17.4
163.07513	2.1
165.05508	0.9
175.03900	1.2
175.07529	16.3
177.05449	5.4
179.06949	0.9
181.04941	14.5
181.06444	1.3
185.06001	3.3
191.07001	6.9
193.08690	1.0
195.06575	1.2
203.07004	90.7
204.07365	1.5
205.08635	1.1
207.10135	2.1
209.08086	7.2
217.08580	3.2
219.10136	64.0
220.10413	1.2
221.08057	69.6
246.72675	0.9
257.11789	1.2
259.13306	2.9
265.14413	1.4
267.13791	3.2
269.11707	1.1
273.14828	3.1
275.12695	2.9
275.16452	1.4
277.14340	24.5
285.14819	12.6
285.17856	1.4
297.18509	1.1
307.17004	1.3
325.18103	4.3
330.53979	1.0
331.19098	1.4
341.21082	58.2
343.18991	100.0
344.19278	2.1
345.20901	1.5
353.38431	0.8
381.24161	1.2
397.23605	3.0
399.25320	8.2
411.25275	11.0
467.31500	1.1
467.37262	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	467.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	0.4
55.05489	1.0
57.07061	1.7
67.05497	4.9
69.07063	10.7
69.63599	1.0
69.64012	3.7
70.83702	0.4
71.04963	0.6
71.08611	1.0
79.05466	1.1
81.07048	2.9
83.08588	1.2
85.10169	0.9
91.05457	1.7
93.07030	4.3
93.70086	0.4
95.08587	1.8
105.07018	1.2
107.08553	1.6
109.06519	0.7
109.10150	6.1
115.74311	0.4
117.06995	0.7
119.08557	1.2
121.06515	2.4
121.10125	1.1
123.11688	3.5
129.07002	0.9
133.10106	0.7
133.68576	0.5
135.04366	0.4
135.08031	2.2
135.11668	2.8
143.08498	0.7
145.06477	0.8
145.09990	0.5
147.08054	1.5
147.11720	0.6
149.05977	1.3
149.09570	0.6
150.47533	0.5
151.03850	0.6
157.06543	0.5
161.05922	2.0
161.09599	1.0
163.03870	1.5
163.07535	1.3
165.05511	0.9
173.11771	0.8
175.07547	6.6
177.05449	4.8
179.03401	0.6
179.07080	0.5
181.04953	1.4
185.05977	0.5
187.73299	0.5
189.05421	0.6
189.09093	1.5
191.06956	4.3
197.04497	0.6
199.07553	1.2
199.11134	0.6
201.05446	0.7
201.09061	0.6
203.07014	14.0
203.08914	0.7
205.08592	1.8
209.08083	3.1
213.09029	0.7
215.07121	0.8
215.10710	0.7
217.08571	11.4
219.10199	3.1
221.08107	6.1
223.09555	0.8
227.10643	1.9
229.08594	4.8
229.12221	0.8
231.10211	0.5
233.11792	0.5
235.09688	5.2
241.08601	4.1
243.10139	1.7
245.08217	0.6
257.11621	1.3
259.09576	1.2
261.11111	0.8
267.13580	0.7
269.11682	5.4
271.13455	0.5
273.14758	1.1
275.12830	0.5
277.10571	0.5
277.14304	1.9
281.11435	0.5
282.12503	0.6
283.13318	2.8
285.14841	8.9
287.12732	2.9
289.14340	1.1
325.17963	12.0
331.19153	3.0
338.10849	0.6
341.21097	16.8
342.21432	0.5
343.19009	100.0
344.19296	3.1
345.20718	0.7
381.19577	0.6
397.23709	3.3
399.25287	6.9
411.25198	2.5
447.63641	0.5
467.31180	1.4
467.37250	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.2
57.07057	1.5
65.70336	0.6
67.03117	0.5
67.05495	4.4
69.06702	0.9
69.07056	12.2
69.86753	0.5
70.07996	1.5
70.08403	2.7
71.08624	0.9
79.05466	0.7
81.07052	4.1
83.08605	1.0
90.20670	0.6
91.05459	1.5
93.07029	5.4
95.04913	0.9
95.08581	2.4
104.11989	0.6
105.03363	1.0
105.06981	1.5
107.08623	2.8
107.50925	0.6
109.06484	0.8
109.10136	6.1
119.08565	0.9
121.06510	3.3
121.10115	1.1
123.08024	0.7
123.11702	3.8
129.07042	0.7
133.06438	0.9
133.10103	1.7
135.08022	2.3
135.11690	3.1
147.07991	2.5
149.05971	1.5
149.09465	0.7
151.03838	1.0
161.05936	1.8
161.09561	0.8
163.03891	1.6
163.07494	1.7
165.05434	1.0
171.07977	1.0
173.06000	0.8
175.07533	5.4
177.05426	3.5
181.05032	0.9
189.09079	1.3
191.07019	5.9
199.07549	1.7
201.05502	1.3
203.07004	16.0
205.08549	2.3
209.07973	3.1
215.07033	0.7
217.08575	11.8
219.10115	3.4
221.08081	5.8
227.10657	2.1
229.08601	5.7
231.10095	1.2
233.11684	0.7
235.09634	4.2
239.44193	0.7
241.08531	4.6
241.12297	0.7
243.10120	2.0
245.11760	0.7
255.10042	0.7
257.11670	1.2
259.09503	0.9
261.11166	1.3
267.13779	1.0
269.11707	5.3
273.14667	1.2
275.12723	1.0
277.14435	1.8
279.17432	0.6
282.12512	0.7
283.13297	3.3
285.14816	7.9
287.12701	3.7
325.17957	13.0
331.18878	1.8
341.17041	1.1
341.21088	15.8
343.18994	100.0
344.19348	2.5
397.23508	2.8
399.25186	6.4
411.25269	3.2
435.94269	0.6
467.23557	0.7
467.31824	1.1
467.37134	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	467.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30046	0.3
55.01857	0.4
55.05501	0.6
57.07049	0.9
60.08926	0.3
65.03931	0.3
67.05489	2.9
69.03437	0.4
69.06693	0.5
69.07058	10.2
70.34531	1.2
71.04974	0.3
77.59035	0.3
79.05473	1.1
81.07039	2.5
83.01310	0.3
83.08587	0.8
91.05451	1.8
93.07034	4.1
95.04962	0.4
95.08593	1.5
97.06478	0.2
98.20844	0.3
105.03392	0.3
105.07011	1.4
107.04911	0.7
107.08581	2.2
109.06495	0.6
109.10139	4.9
117.06996	1.0
119.04913	0.4
119.08603	1.3
121.06478	2.9
121.10109	1.0
123.08028	0.3
123.11695	4.7
125.89600	0.2
128.06175	0.5
129.06975	0.5
131.04860	0.5
131.08482	0.3
133.06474	0.8
133.10098	0.8
135.04382	0.7
135.08003	2.0
135.10945	0.2
135.11697	2.8
137.05875	0.3
139.03860	0.3
141.06960	0.3
143.08542	0.9
145.06448	0.6
145.10091	0.6
147.04387	0.3
147.08057	2.1
149.05963	1.2
149.09607	0.5
151.03880	1.0
155.08556	0.4
157.06459	0.8
157.10008	0.3
159.08014	0.4
159.11679	0.4
161.05954	2.5
161.09570	0.9
163.03874	1.9
163.07544	1.9
165.05467	1.0
169.10117	0.2
171.08046	1.1
173.05986	0.6
173.09599	0.6
173.11641	0.3
174.06841	0.3
175.03854	0.4
175.07516	7.5
177.05437	8.0
177.12773	0.4
179.03360	0.5
181.04893	1.3
183.08038	0.4
183.11710	0.3
185.05956	0.7
185.09528	0.4
187.03909	0.4
187.07539	0.8
187.11189	0.5
189.05478	0.8
189.09108	1.6
191.07010	5.0
193.08682	0.6
195.06546	0.5
199.07474	1.3
199.11130	0.4
201.05409	1.3
201.09117	0.6
201.12654	0.3
203.07002	17.2
204.07494	0.3
205.08549	2.4
207.10043	0.4
209.08025	3.4
209.09816	0.4
211.11215	0.4
213.09064	0.6
213.12685	0.6
215.06981	1.1
215.10541	0.3
217.08565	13.7
218.09251	0.3
219.10121	5.0
221.08051	7.7
223.09558	0.8
225.09018	0.4
226.09895	0.5
227.07085	0.5
227.10648	2.7
229.08557	9.8
229.12051	0.5
231.10132	0.7
233.11726	1.6
235.09616	6.7
241.08580	4.5
241.12314	0.9
243.10162	2.3
245.11687	0.7
251.10587	0.3
255.09866	0.4
255.13841	0.3
257.08017	0.3
257.11667	1.0
259.09732	1.6
259.13315	0.8
261.11148	0.9
267.10477	0.3
267.13705	0.9
269.11661	6.3
271.13199	1.1
273.14777	1.1
275.12860	0.8
275.16312	0.3
277.14322	3.1
282.12561	0.9
283.13229	3.8
285.14819	15.1
287.12717	4.5
289.14331	0.4
297.18567	0.4
307.16852	0.4
323.16443	0.4
325.17941	13.5
326.18317	0.4
331.18976	1.7
341.21063	25.3
342.21490	0.6
343.18982	100.0
344.19339	2.5
345.20435	0.5
355.19199	0.3
395.25369	0.3
397.23666	3.5
397.28174	0.4
399.25266	5.9
411.19986	0.5
411.25250	7.1
411.30753	0.4
449.30588	0.3
467.32166	1.8
467.36746	1.9
478.80200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	0.2
53.03933	0.3
53.46777	0.2
55.01852	0.5
55.05492	0.8
57.07069	0.5
64.52106	0.2
67.05493	1.5
69.03397	0.4
69.07059	10.7
69.76157	1.7
76.19074	0.2
79.05478	0.5
81.07061	1.7
83.08608	0.4
87.19032	0.2
91.05462	1.0
93.07026	4.2
95.04948	0.5
95.08598	1.0
97.10156	0.3
105.03396	0.3
105.07013	1.2
107.04937	0.4
107.08581	2.1
109.06489	0.6
109.10150	2.8
113.05983	0.3
117.06977	0.7
119.04941	0.3
119.08559	0.8
121.06482	2.8
121.10126	0.6
123.07992	0.4
123.11693	3.3
128.06245	0.2
129.07027	0.5
131.08565	0.4
133.06470	0.9
133.10085	1.0
135.04356	0.4
135.08029	2.4
135.11670	3.0
136.38446	0.2
143.08507	0.5
145.06464	0.4
145.10077	0.5
147.08026	1.8
147.11676	0.2
149.05974	1.2
149.09605	0.4
149.13190	0.2
151.03867	0.8
155.08485	0.6
157.06464	0.8
159.08015	0.4
161.05959	2.8
161.09624	0.7
163.03860	1.9
163.07487	1.3
165.05450	0.4
169.10098	0.3
171.08040	0.5
171.11598	0.2
173.05930	0.3
173.09694	0.4
175.03873	0.2
175.07527	6.7
175.10999	0.3
177.05438	3.8
177.09056	0.3
179.07042	0.3
180.58482	0.2
181.04909	0.8
183.11671	0.3
185.05914	0.6
185.09639	0.2
187.03886	0.3
187.07538	0.5
187.11200	0.4
189.05391	0.7
189.09084	1.5
191.07004	4.9
193.08588	0.4
197.09668	0.3
199.07591	1.1
199.09183	0.2
199.11179	0.5
201.05453	0.8
201.09073	0.4
201.12788	0.2
203.06995	15.5
205.08595	2.1
207.10118	0.3
209.08014	2.7
209.09731	0.2
211.07672	0.3
211.11095	0.3
213.09200	0.5
215.07005	0.8
215.10631	0.8
217.08568	12.1
219.06636	0.4
219.10117	2.6
221.08043	6.5
223.09642	0.6
225.09050	0.3
226.09811	0.4
227.07051	0.4
227.10590	2.3
228.07823	0.2
229.08563	6.4
229.12047	0.4
231.10149	0.9
233.11633	0.4
235.09625	4.4
241.08556	4.0
241.12184	0.9
243.10132	2.4
245.11630	0.9
251.10751	0.3
253.12434	0.2
255.10060	0.6
255.13747	0.4
257.11713	1.1
259.09634	1.5
259.13062	0.5
261.11194	1.1
267.13843	0.6
269.11716	6.0
271.13287	0.5
273.14825	1.2
275.12741	1.2
277.14285	1.0
282.12537	0.9
283.13257	3.3
283.16428	0.4
285.14807	9.7
287.12729	3.9
287.15692	0.4
288.12860	0.3
297.15082	0.2
297.18481	0.4
301.14188	0.3
307.16888	0.6
311.16147	0.3
315.15836	0.9
325.17941	14.2
326.18320	0.4
331.18997	1.7
339.19571	0.3
341.21072	14.1
342.21725	0.3
343.18985	100.0
344.19370	2.1
385.47299	0.2
397.23676	2.5
399.25269	6.5
411.25235	4.2
467.31485	1.1
467.37473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05492	1.6
57.07053	1.1
60.55421	0.4
66.82517	0.4
67.05497	3.7
69.03414	0.5
69.07060	13.5
71.04999	0.4
71.33423	0.9
79.05473	1.0
81.07047	3.0
83.08593	0.8
91.04964	0.3
91.05461	2.2
91.22115	0.3
93.07024	5.7
95.04951	0.7
95.08596	2.1
97.10157	0.4
105.03408	0.7
105.07014	1.7
107.04932	0.6
107.08564	3.6
109.06522	0.8
109.10150	3.8
117.06995	1.0
119.04916	0.4
119.08553	1.9
121.06487	3.8
121.10104	1.0
123.08044	0.6
123.11701	4.9
128.06157	0.4
129.06987	0.7
131.04994	0.5
131.08510	0.5
133.06467	1.0
133.10123	1.1
135.04367	0.6
135.08052	2.6
135.11682	4.6
142.07729	0.5
143.08549	0.8
145.06456	0.6
145.10065	0.8
147.08046	2.7
149.05960	1.3
151.03870	1.9
155.08606	0.8
157.06532	0.7
159.08040	0.4
160.37440	0.3
161.05959	3.0
161.09572	1.5
163.03868	1.9
163.07516	2.3
165.05470	1.0
171.08064	0.7
172.08755	0.4
173.05913	0.5
173.09607	0.7
173.11563	0.5
175.03970	0.6
175.07524	7.7
175.11327	0.4
177.05446	4.2
181.04974	0.5
185.05991	0.4
187.07489	0.7
187.11174	0.6
189.05428	0.5
189.09143	1.3
191.07004	7.2
193.08591	0.6
195.06520	0.7
197.09564	0.6
198.04744	0.5
199.07501	1.0
199.11208	0.6
201.05449	0.6
201.09039	0.7
201.12654	0.8
203.07005	18.8
204.07689	0.4
205.08594	2.3
207.10129	0.8
209.08044	5.2
211.07483	0.5
213.09102	0.7
213.12614	0.5
215.07056	0.6
215.10680	1.1
217.08588	12.9
219.10135	3.3
221.08061	8.0
223.09569	0.9
227.07018	0.7
227.10587	2.8
229.08568	5.8
229.12195	0.4
231.10181	0.9
233.11726	0.6
235.09607	5.1
239.10564	0.6
241.08577	5.3
241.12289	1.1
243.10219	2.4
245.11665	0.8
255.10132	0.6
257.11655	1.6
258.08429	0.5
259.09659	1.9
261.11185	1.2
267.13702	0.5
269.08701	0.7
269.11646	6.3
271.13116	0.8
273.14868	1.8
273.17325	0.4
275.12759	1.5
277.14319	1.7
282.12549	0.7
283.13217	3.8
285.14819	10.0
287.12796	3.5
297.18509	0.5
307.16901	0.7
313.17883	0.4
315.16187	0.5
325.17947	13.5
331.19080	2.1
339.19617	0.5
341.17020	0.4
341.21106	12.5
343.18997	100.0
344.19299	2.6
397.23679	3.9
399.25250	6.1
411.25345	2.3
467.31512	1.1
467.37286	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79057	0.9
51.02955	0.7
53.03937	1.2
55.01862	1.6
55.05494	2.9
57.07067	7.3
62.58226	0.9
67.05489	13.9
69.07060	20.8
71.00665	2.6
71.04995	1.2
71.08618	2.7
79.05474	3.2
81.07041	12.9
83.08596	2.7
85.10181	1.1
91.05484	5.5
93.07030	7.2
95.04968	2.0
95.08595	7.3
97.10176	1.5
105.03374	3.4
105.07015	3.6
106.03747	1.7
107.04934	1.6
107.08590	9.5
109.10138	14.0
117.07000	1.9
119.08542	4.4
121.06478	6.3
121.10113	2.9
122.10909	1.5
123.08031	0.9
123.11692	28.5
127.76710	1.0
129.06966	1.9
131.63176	0.9
133.06509	4.4
133.07364	1.0
133.10106	1.4
135.04382	4.6
135.08015	9.6
135.11665	14.0
145.06456	1.0
145.10117	0.9
147.08041	5.8
147.11642	1.0
149.05939	2.6
151.03889	8.5
157.06477	2.8
161.05951	14.2
161.09650	1.2
163.03874	21.3
163.05173	1.8
163.07544	1.7
163.27611	1.0
165.05479	2.0
173.09485	0.9
173.11758	2.6
175.03850	1.6
175.07530	18.1
177.05457	5.2
179.03424	2.4
179.07109	1.1
180.03743	1.7
181.03548	1.5
181.04968	19.4
185.05876	1.7
187.03899	1.2
189.05447	2.8
189.09145	1.3
190.02248	1.1
191.07027	5.4
193.08517	1.0
195.06541	1.6
197.04443	1.8
198.04752	1.1
199.07458	1.1
201.05403	4.7
201.09035	2.0
203.07004	85.5
204.07397	1.2
205.08412	1.8
207.10107	4.1
209.08043	6.7
215.06990	2.2
215.10707	1.4
217.08691	4.5
219.10138	86.5
220.10481	2.6
221.08073	60.4
222.08400	1.1
225.09247	1.5
229.08514	5.1
235.09671	1.9
239.09016	1.2
239.23689	1.8
243.10086	2.4
256.23535	1.0
257.04221	5.6
257.11649	2.7
258.08356	4.7
259.08682	2.7
259.13239	5.1
267.13803	5.9
271.09387	1.3
273.14859	6.9
275.12881	3.3
275.16367	20.6
277.14304	36.5
285.11646	1.9
285.14822	35.7
287.12701	1.1
289.14264	2.2
307.16876	1.8
323.20053	2.3
325.17853	4.4
327.19415	1.3
329.21036	1.8
331.19138	1.6
341.21082	81.3
342.14435	6.2
342.21497	2.8
343.18991	100.0
344.19446	2.6
345.20599	16.1
380.19073	1.6
381.20190	8.6
381.24362	1.5
383.18256	2.5
395.24744	0.9
397.27896	4.7
398.20624	10.4
399.20987	4.0
399.25327	7.8
411.25232	18.7
426.13370	1.3
467.20792	1.3
467.22250	0.8
467.26944	19.5
467.36832	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	467.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18106	0.9
55.05497	2.7
55.77834	1.0
57.07053	4.2
67.05492	6.3
69.07063	9.9
69.47150	0.9
71.04967	1.5
71.08606	1.6
71.79875	1.6
79.05492	1.6
81.07064	5.0
83.08598	1.1
89.06006	2.1
91.05466	1.8
93.07037	3.3
95.08574	3.4
105.03389	1.2
105.07045	1.3
107.08573	4.2
108.39314	1.0
109.10149	5.8
119.08529	2.4
121.06464	1.5
121.10149	2.8
123.11705	5.2
131.08585	1.3
133.10120	1.2
135.11641	3.1
143.83330	0.9
149.26805	1.0
151.03842	2.6
157.10153	1.2
161.05977	1.2
163.03909	2.8
163.07469	1.7
173.11745	1.4
175.07509	2.2
177.05376	1.2
191.07036	4.9
193.04738	1.0
197.04402	1.4
203.06995	6.7
207.10217	1.3
209.08003	5.7
217.08658	1.2
219.10158	4.1
221.07964	4.9
229.08676	1.6
233.07898	1.3
245.07860	1.4
257.08243	1.3
257.11835	1.3
258.08517	1.6
259.08395	1.1
259.13190	1.1
261.07309	4.7
262.08163	2.6
267.13867	1.3
273.14880	3.1
275.12692	2.1
277.14398	5.3
283.17282	1.1
285.14847	3.3
301.99530	1.0
305.17151	1.1
311.12534	2.5
325.17938	1.6
331.19064	3.4
341.21008	9.3
343.19052	12.9
345.20618	1.8
381.19849	3.1
381.24420	1.9
383.21869	2.4
393.04456	1.0
399.21280	3.1
399.25717	2.3
409.27734	1.3
411.21136	9.6
431.25491	8.4
449.26410	25.6
449.31915	1.7
450.27011	1.4
467.27612	100.0
467.37030	6.2
468.30707	13.7
481.82950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2635
Annotation	CHEBI:83024
Peak:m/z	Relative Intensity
55.01863	4.2
55.05501	4.9
57.07051	5.4
62.25710	1.7
65.03913	1.8
65.28710	1.8
67.05500	14.1
69.03408	2.4
69.07051	3.4
70.06570	11.1
70.53110	7.5
71.04979	7.7
71.06909	2.8
71.08608	2.0
79.05479	7.9
81.07049	10.5
83.04975	2.2
85.06514	3.2
85.77963	2.0
88.07631	12.1
89.07970	2.0
91.05475	6.1
93.03426	2.5
93.07027	13.2
95.04968	8.9
95.08581	3.6
95.76974	2.0
97.06506	5.0
102.09184	10.3
105.03374	8.2
105.06994	9.4
107.08542	9.1
109.06517	6.5
109.10129	6.8
113.06007	14.9
114.20687	1.8
117.07008	2.2
119.08554	6.5
121.06496	5.2
121.10141	11.7
123.04437	3.6
123.08105	3.9
123.11658	12.1
129.07022	3.2
131.08572	2.4
133.06477	3.2
133.10118	9.9
135.08096	4.0
135.11664	8.0
139.03899	6.1
147.07997	2.3
147.11644	4.1
149.02330	30.1
149.03426	3.1
149.05988	3.0
150.02597	11.5
151.07550	2.9
153.05482	3.4
161.05984	4.7
161.09499	1.9
163.03854	2.3
163.07484	2.3
168.90491	1.9
173.09607	7.5
175.07512	5.8
175.11220	2.0
177.05455	14.5
179.07043	5.5
189.05368	2.1
191.06981	1.9
193.04930	25.8
193.06561	1.9
194.05278	16.3
195.06482	8.8
197.08130	6.5
201.09120	6.8
203.07019	17.6
203.10469	3.3
207.06483	4.5
211.53751	2.0
213.12744	2.0
217.12093	1.7
219.10204	4.0
221.08028	17.6
221.09767	1.9
225.07509	3.7
227.10631	2.9
229.89992	2.1
231.10057	2.1
237.07550	22.6
238.07861	23.0
245.11752	7.7
255.10124	3.3
256.26346	13.4
257.11865	2.9
257.26633	26.0
271.16821	1.8
273.11179	34.7
277.10818	2.5
287.16077	2.2
291.12250	39.9
291.15256	3.2
297.13379	2.2
309.13135	24.8
325.17972	7.1
327.15875	3.5
341.17291	3.9
343.19012	21.5
343.22726	2.9
361.20374	2.7
377.20844	2.4
395.21979	12.1
413.23215	20.0
431.24283	45.6
433.23370	2.5
449.24649	8.8
467.31940	100.0
472.15997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
54.51617	0.3
55.01860	0.4
57.03402	1.1
58.99591	1.9
61.02887	1.3
64.82341	0.3
69.03427	3.0
69.87261	1.4
69.87690	0.9
69.94772	0.3
71.04954	0.9
71.75774	0.3
73.02885	1.0
81.03394	1.3
81.06991	0.6
82.56883	0.3
85.02869	1.0
86.99010	1.1
88.02184	0.5
95.08563	0.5
97.02897	0.5
99.04414	1.0
102.00107	0.4
105.06956	0.4
116.01662	2.3
117.05447	0.4
120.08070	0.6
123.04386	0.8
127.03938	0.6
128.01694	0.3
137.05957	0.4
145.07579	0.9
146.08327	0.5
147.09145	7.6
153.01813	0.7
159.09164	2.3
161.07164	0.4
163.08673	2.1
163.09836	0.4
172.08669	7.5
175.08636	3.4
185.09453	3.1
185.10753	0.6
186.10184	0.6
187.12292	0.6
189.04784	3.7
189.10210	0.5
190.05585	2.4
191.03345	0.9
191.06572	0.3
191.08151	6.1
197.10738	0.4
198.10295	1.6
199.12341	0.4
201.10226	0.5
203.06435	0.8
204.07077	0.4
213.10182	1.0
214.09613	0.5
215.05049	1.1
215.11797	1.0
230.07440	68.1
231.08217	19.0
231.10774	0.7
232.08954	3.4
233.08893	0.6
233.12695	0.5
241.10840	1.8
243.11298	0.7
244.09097	0.7
245.12857	0.9
246.06950	0.6
248.08481	4.1
259.09668	1.0
261.12305	0.4
263.13873	1.8
271.10757	0.6
276.08002	4.8
279.13309	2.1
287.05460	1.5
287.09546	3.6
289.11710	4.4
303.04944	3.1
304.05362	2.3
305.05545	5.7
306.14594	0.4
315.09103	0.9
323.10654	0.3
327.25720	0.4
330.14270	0.4
333.10123	23.4
346.11810	1.6
364.13196	6.6
365.13889	1.5
392.12610	1.2
410.13919	0.6
449.15091	0.4
467.15930	100.0
468.16064	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	467.1183
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.22292	0.2
55.01792	0.4
61.02832	0.4
68.82936	0.2
69.03320	0.8
70.87722	0.8
71.04872	0.3
73.02834	0.3
79.05421	0.2
81.03326	0.4
81.06956	0.3
85.02782	2.3
85.03331	0.5
91.05383	0.2
93.06960	0.3
95.08517	0.2
97.02766	0.9
104.14500	0.2
107.08498	0.3
109.02803	0.3
109.06445	0.2
127.03775	0.8
145.04836	0.9
153.01701	0.7
161.05765	0.2
203.07014	0.4
203.10573	0.4
213.05447	1.8
216.04161	0.3
223.13271	0.3
224.13486	0.5
231.04291	0.3
231.06500	5.7
233.04285	0.4
240.04083	0.5
241.04939	3.0
242.14638	0.5
244.03661	0.5
245.04327	0.8
252.12981	0.3
259.05984	7.7
269.04440	4.8
287.05463	100.0
288.05801	1.8
303.04916	0.8
304.05295	0.5
305.06519	34.4
306.06949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1181
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.02356	1.1
55.01857	0.9
61.02904	2.0
61.96563	1.0
67.01835	1.9
67.05489	1.4
68.99768	3.6
69.03404	3.4
71.04941	1.0
71.80696	0.9
71.81121	1.1
81.03360	1.3
85.02887	8.7
95.04951	3.3
97.02851	2.8
105.03397	1.5
105.99574	1.1
111.04436	5.9
119.04898	1.4
121.02863	5.4
123.04412	49.0
127.03869	4.4
129.06999	1.3
131.04880	1.1
133.02827	2.3
135.04388	3.9
137.02316	5.3
139.03900	5.5
144.08063	2.3
145.04913	1.6
147.04427	6.4
149.02324	65.2
150.02998	1.2
151.03876	3.0
153.01799	100.0
157.06445	2.5
161.02365	7.2
163.03880	2.6
165.01840	1.6
166.02226	1.1
167.03366	11.9
168.63710	1.1
171.02905	2.5
175.07562	2.6
179.03365	3.0
183.02893	1.4
185.05966	6.5
189.05373	1.9
191.03493	1.4
195.02844	22.0
195.04509	1.6
203.03412	2.8
203.07104	1.4
213.05426	14.1
217.04724	1.4
231.06487	57.2
232.06902	1.7
241.04829	5.7
258.05289	3.3
259.05984	58.4
269.04422	1.7
269.12799	1.7
283.05746	1.8
287.01880	8.3
287.05463	32.5
287.08698	2.0
287.14017	1.3
301.07028	1.1
305.06516	93.5
306.06766	1.4
317.06537	1.6
347.07391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
55.01857	0.9
61.02904	2.0
61.96563	1.0
67.01835	1.9
67.05489	1.4
68.99768	3.6
69.03404	3.4
71.04941	1.0
71.80696	0.9
71.81121	1.1
81.03360	1.3
85.02887	8.7
95.04951	3.3
97.02851	2.8
105.03397	1.5
105.99574	1.1
111.04436	5.9
119.04898	1.4
121.02863	5.4
123.04412	49.0
127.03869	4.4
129.06999	1.3
131.04880	1.1
133.02827	2.3
135.04388	3.9
137.02316	5.3
139.03900	5.5
144.08063	2.3
145.04913	1.6
147.04427	6.4
149.02324	65.2
150.02998	1.2
151.03876	3.0
153.01799	100.0
157.06445	2.5
161.02365	7.2
163.03880	2.6
165.01840	1.6
166.02226	1.1
167.03366	11.9
168.63710	1.1
171.02905	2.5
175.07562	2.6
179.03365	3.0
183.02893	1.4
185.05966	6.5
189.05373	1.9
191.03493	1.4
195.02844	22.0
195.04509	1.6
203.03412	2.8
203.07104	1.4
213.05426	14.1
217.04724	1.4
231.06487	57.2
232.06902	1.7
241.04829	5.7
258.05289	3.3
259.05984	58.4
269.04422	1.7
269.12799	1.7
283.05746	1.8
287.01880	8.3
287.05463	32.5
287.08698	2.0
287.14017	1.3
301.07028	1.1
305.06516	93.5
306.06766	1.4
317.06537	1.6
347.07391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02699	0.5
51.24622	0.5
53.09385	0.5
55.01858	0.7
55.05497	2.1
57.03429	4.2
60.72795	0.6
61.02908	2.0
67.05500	16.0
69.03402	0.7
69.07050	5.9
71.04979	1.4
71.06564	2.1
73.02899	1.2
73.62814	0.6
79.05482	8.9
81.03426	0.8
81.07053	24.9
83.04965	2.1
83.08620	5.6
85.02888	2.7
85.06537	1.9
91.03938	0.7
91.05484	4.6
93.07040	16.7
95.04945	1.3
95.08601	5.5
97.02895	1.1
97.06512	4.9
99.08053	1.1
104.93978	0.6
105.07017	1.6
107.08588	8.8
109.06515	0.9
109.10111	1.1
110.57846	0.6
111.08077	2.9
117.07005	2.4
119.08521	1.1
120.22868	0.6
121.10131	6.4
122.59631	0.6
123.11696	0.9
125.73565	0.7
131.08528	2.9
133.10138	3.5
135.08041	1.3
135.11691	4.4
139.11176	0.6
140.89267	0.6
147.11755	0.8
149.13249	16.8
159.11667	8.4
165.59212	0.6
177.12744	4.7
179.14328	1.1
195.13786	4.8
213.14821	0.6
251.16446	1.2
269.17462	100.0
270.17819	1.5
297.65942	0.6
303.04919	0.7
304.05334	1.3
311.05582	0.8
466.12033	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2584
Annotation	N(3)-Methyladenine
Peak:m/z	Relative Intensity
51.11258	0.3
52.13033	0.3
53.03934	0.3
53.20002	0.3
67.05490	0.6
69.07056	3.3
78.03432	0.3
79.04249	0.4
79.05472	0.4
80.05005	60.5
81.07053	0.5
91.05487	0.4
91.93406	0.3
92.94246	0.3
93.07037	1.1
95.08561	0.6
98.20740	0.7
105.07031	0.4
106.02908	2.5
107.08582	1.8
109.10138	0.6
111.03162	0.4
119.08547	0.5
121.10109	0.4
122.10910	1.0
123.08090	0.4
123.11661	0.8
133.10095	0.4
135.11658	0.9
139.03864	0.6
141.01884	0.4
148.03894	0.6
151.03922	0.4
155.03424	0.4
169.04985	0.4
174.05492	0.4
179.03360	7.6
184.03822	0.4
184.07585	0.8
186.05409	0.4
193.04980	0.5
197.04416	3.7
202.04921	0.6
205.04951	0.4
212.07138	1.0
216.06512	0.4
217.04910	1.1
220.54410	0.3
228.06544	1.0
229.07272	7.3
230.08017	1.8
240.06535	4.7
244.06017	1.4
245.06789	2.5
246.07590	1.3
256.06012	6.8
257.06677	4.2
257.11795	0.5
258.07584	100.0
259.07925	2.0
272.09100	0.4
278.08176	0.5
283.08224	0.4
284.09079	0.9
285.11221	0.8
287.12781	0.6
296.09167	5.7
300.13547	0.8
301.14291	0.5
304.05249	0.7
307.03870	0.4
308.12686	0.5
310.10760	1.0
326.13828	63.5
327.14191	1.5
336.12247	5.3
346.15128	0.3
364.15262	1.1
378.16904	2.3
379.17752	12.8
380.18488	12.5
381.18756	0.7
396.18015	0.3
397.18710	1.8
398.19467	1.3
448.24783	25.3
449.25055	1.0
466.25763	11.6
467.25165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	2.1
55.05492	2.8
55.63937	1.2
57.03421	3.0
61.02921	9.6
67.05479	3.6
68.99793	2.0
69.03409	8.4
69.07051	3.2
71.04975	13.8
71.32612	1.4
71.32936	2.2
73.02896	3.5
73.52397	1.2
79.05474	6.4
80.97527	1.1
81.03422	3.3
81.07044	16.9
83.04971	6.4
83.08595	1.5
85.02896	29.4
85.06524	2.7
86.03226	2.4
86.09720	1.3
87.04426	1.9
91.03934	3.5
91.05458	5.4
91.94211	1.1
93.07030	22.5
93.64645	1.0
95.04948	11.6
95.08598	5.2
95.51657	1.1
97.02878	6.9
97.06516	3.7
99.04453	4.6
99.08044	1.3
101.06030	1.6
105.07012	10.8
107.04965	1.3
107.08577	13.1
109.02844	3.2
109.06501	26.5
109.10133	3.7
111.08075	2.5
113.05987	5.4
114.01737	1.2
117.07037	2.9
119.08572	6.3
121.02844	2.6
121.06505	7.1
121.10124	4.2
121.56790	1.0
123.04417	2.8
123.08080	4.0
125.05959	2.5
127.03945	2.9
127.07539	5.0
129.05502	3.0
129.06975	2.3
131.08554	4.5
133.10118	2.7
135.08032	15.3
135.11670	5.4
137.02354	4.2
137.05936	2.9
137.09599	1.2
138.89574	1.4
139.07559	5.9
141.05460	1.4
141.07018	1.8
143.08583	3.3
145.04958	2.7
145.06505	2.2
145.10115	15.6
147.07979	2.2
147.11658	9.1
149.05998	1.4
149.09579	1.5
149.13286	2.2
153.01817	4.5
153.09116	4.2
154.02171	2.5
155.07065	1.4
159.06509	4.5
159.07990	1.5
159.11684	11.6
161.09586	1.9
161.13245	3.6
163.11179	10.6
165.01794	2.6
165.12715	8.1
166.02214	1.2
167.07054	4.6
169.10083	3.7
173.08086	2.7
173.09496	1.7
175.11179	2.2
177.12782	7.5
180.08618	2.6
183.02736	1.8
184.07359	2.5
187.11154	18.6
189.12703	2.6
195.02905	3.4
195.13838	2.5
197.09631	1.5
201.05536	1.5
205.12215	31.4
206.12694	1.4
207.13747	6.2
215.10648	4.8
223.13266	49.0
229.04915	4.7
230.05334	5.0
231.05594	1.5
233.11688	2.9
239.03513	1.3
241.14305	63.6
251.12756	5.0
257.04434	3.2
258.04749	3.6
269.13824	23.1
271.09598	1.3
275.05450	1.3
285.03888	2.5
287.05420	4.0
287.14896	6.3
288.05862	2.7
289.05972	2.1
290.06418	3.4
303.04959	52.8
304.05289	100.0
305.05536	8.3
348.14352	1.4
471.91324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46040	1.1
53.03928	2.9
55.01853	5.0
55.05495	5.0
57.03417	3.9
61.02916	6.3
65.03943	1.5
67.05487	10.9
69.03416	22.3
69.07054	3.3
69.92938	1.7
69.93277	9.9
71.01335	1.5
71.04990	6.8
73.02903	2.4
76.63168	1.4
79.05476	11.5
81.03408	3.3
81.07045	25.2
82.13939	1.3
83.04969	22.7
83.08606	4.4
85.02889	24.6
85.06514	4.7
86.09687	2.2
87.04499	1.8
91.03927	4.8
91.05473	7.5
93.07031	37.8
93.50393	1.2
95.04955	19.5
95.08573	6.4
97.02865	8.5
97.06516	12.5
97.94239	1.5
98.20730	1.6
99.04434	5.9
101.05997	3.4
105.06421	1.9
105.07025	19.2
106.42793	1.4
107.04955	2.6
107.08572	23.6
109.02898	1.9
109.06503	49.6
109.10133	6.1
109.47500	1.4
111.04447	3.1
111.08070	4.8
113.05984	20.3
115.03893	4.8
117.07019	6.1
119.08569	11.3
121.02829	2.1
121.06475	15.7
121.10099	6.3
123.04399	3.4
123.08036	6.0
123.11662	2.2
124.99957	1.4
125.05975	3.1
127.03863	4.5
127.07504	8.0
129.05431	2.5
129.06992	2.1
131.08554	7.2
132.64313	1.4
133.10088	6.0
135.04393	1.5
135.08038	18.8
135.11691	8.3
137.02266	2.1
137.05963	2.4
137.09656	1.6
139.03885	1.6
139.07481	9.2
141.05441	5.7
142.07767	1.8
143.08571	7.2
144.09265	1.8
145.04910	2.8
145.06506	2.7
145.10109	23.7
147.08043	2.6
147.11679	12.3
149.05991	2.2
149.09563	2.6
149.13248	7.5
153.01842	2.9
153.09074	5.7
154.02225	1.8
154.07770	2.3
155.07077	3.0
157.08611	4.3
157.10100	2.1
159.06523	15.8
159.07880	2.3
159.11662	27.7
160.06818	1.7
161.09570	5.4
161.13235	6.1
163.07585	2.0
163.11163	22.5
165.09045	1.4
165.12695	8.4
167.07106	1.8
169.08783	1.8
169.10059	7.3
171.07936	1.8
171.11574	1.8
172.08763	2.5
173.08118	4.3
173.09610	3.5
175.11124	3.0
177.12738	12.2
180.08699	2.2
180.94748	1.5
181.12120	1.5
184.07249	6.2
187.11156	33.9
189.12743	3.7
191.10579	1.6
193.12209	3.0
195.13739	6.5
197.09644	3.2
205.12213	53.0
205.14134	3.1
207.13766	5.2
215.10684	7.2
221.11713	2.1
223.13272	100.0
229.04936	2.4
230.05275	2.7
233.11765	4.4
241.14314	80.3
242.14764	1.9
251.12805	13.2
251.16402	5.5
259.06006	1.3
269.13809	52.5
269.16870	2.0
287.05383	10.3
287.14841	8.3
288.05957	8.8
289.06091	4.2
290.06250	8.4
303.04962	28.3
304.05286	67.3
305.05746	5.1
466.27136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28235	1.6
54.35975	1.4
55.05506	2.3
56.17692	1.8
56.96536	2.1
57.22030	1.6
61.22106	1.7
67.05480	2.6
67.27720	1.7
69.07068	21.7
70.06587	3.2
71.80653	2.1
79.46352	1.7
80.77467	1.6
81.03416	1.8
81.07053	4.3
83.01332	4.0
85.06548	2.9
91.05498	3.0
92.94920	1.9
93.07033	5.7
94.97314	1.9
95.08604	3.5
97.10117	1.7
98.97556	2.6
105.03370	11.6
105.07038	3.6
107.08585	3.5
109.10154	4.3
116.98585	4.0
123.11708	12.1
131.08574	2.5
133.10109	2.2
134.99675	3.8
135.08052	6.3
135.11690	6.8
137.02315	2.8
137.05870	2.2
149.09645	4.0
153.00685	2.0
153.05487	5.8
154.49022	1.6
158.91263	1.9
159.08026	5.8
162.06758	4.0
163.07520	9.2
165.05460	55.1
166.05759	2.4
167.03317	1.8
177.09077	13.4
179.03348	18.4
187.07538	4.9
191.06970	1.7
197.04362	12.0
203.06960	2.1
205.08578	67.3
219.10075	3.0
221.11723	34.5
222.12047	3.0
223.09630	100.0
224.10054	2.1
237.11128	2.8
238.11571	2.9
257.08090	21.2
287.16370	14.6
289.14270	3.3
290.94800	3.6
291.15863	14.0
303.05017	14.8
303.15875	1.9
307.15433	4.6
321.16977	14.1
325.14172	2.3
345.20605	14.0
357.20541	3.9
379.20840	14.8
391.20663	2.4
413.26935	4.0
419.17389	3.5
437.18195	4.2
447.27081	6.6
465.26535	9.0
492.07443	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2841
Annotation	Xylarenone D
Peak:m/z	Relative Intensity
55.01858	1.8
55.05501	6.1
57.03415	3.1
57.07060	3.6
61.02921	1.9
65.03948	1.4
67.05492	15.8
69.03407	2.2
69.07056	4.1
70.98914	2.1
70.99247	2.1
71.04984	6.3
79.05481	12.8
81.03406	4.7
81.07043	10.6
83.01334	2.0
83.04968	3.4
83.08600	3.2
85.02908	4.1
85.06541	7.6
91.05470	11.1
93.07037	12.6
95.04961	9.0
95.08605	4.7
97.02870	1.5
97.06512	4.4
97.10141	1.5
105.07015	6.9
107.04962	3.0
107.08574	8.7
109.06509	2.7
109.10138	3.5
111.08097	3.7
113.06001	3.6
117.07001	2.8
119.08565	4.6
121.06500	2.4
121.10135	3.9
123.04385	1.9
123.08095	2.2
129.06958	2.2
131.08575	3.6
133.06416	1.3
133.10104	3.7
135.08032	4.5
135.11674	8.3
139.03893	5.3
139.07530	1.5
145.10104	3.4
147.08041	1.3
147.11662	3.2
149.06006	2.4
149.09641	6.3
151.11125	3.2
153.01799	1.3
153.05424	5.1
157.10078	2.4
159.08034	3.1
162.06731	1.3
163.07532	2.7
163.11194	4.1
165.05412	1.5
165.12755	1.4
167.07008	1.9
173.09622	2.6
175.11162	3.0
177.05455	2.2
177.09094	11.0
181.12222	2.5
185.13081	1.3
187.07536	2.7
189.09058	1.3
191.10664	2.2
193.12285	5.2
201.09090	3.8
203.06992	2.3
205.08580	29.3
209.11757	2.1
211.13248	6.7
219.10146	17.3
223.09631	26.2
229.05072	1.2
229.08591	2.4
229.12239	1.9
237.11218	15.6
243.13835	1.5
255.15953	2.1
267.15878	3.3
271.13297	5.0
289.14325	25.8
303.04944	25.1
303.08218	1.8
304.05331	1.5
307.15356	100.0
308.15643	2.0
355.22610	1.2
429.26416	34.9
447.27390	48.0
465.18781	2.2
465.28583	16.4
490.06644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05510	0.9
57.07033	0.8
67.05494	4.2
69.07059	19.7
69.80072	5.6
71.04974	1.8
75.92164	0.7
79.05458	2.4
81.07037	5.8
83.01310	5.2
83.04956	1.2
91.05464	2.7
93.07033	7.5
95.04945	1.4
95.08602	5.2
105.03369	0.9
105.07012	2.8
107.08607	5.1
109.02911	1.1
109.06478	2.5
109.10120	1.6
110.33377	0.8
119.08592	0.7
121.06468	2.3
121.10109	10.0
123.08051	1.1
123.11674	3.0
127.03889	1.1
131.08569	2.0
133.10101	5.2
135.08002	5.6
135.11603	1.4
137.05962	2.8
139.11172	1.2
141.05501	1.0
143.08524	0.9
149.09573	3.9
151.11162	2.4
153.05440	10.8
157.10152	0.9
159.07997	5.2
162.06689	4.2
163.07545	9.0
165.05457	66.5
166.05818	0.8
167.07004	0.9
169.10110	1.1
177.09088	13.4
179.07018	3.1
187.07529	4.2
190.06187	0.8
191.07065	1.8
193.08598	3.0
201.58316	0.7
203.07031	2.3
205.08575	67.5
206.08864	1.4
209.11656	0.9
211.09616	3.2
211.14893	0.9
219.10185	2.7
221.08087	2.1
221.11700	38.5
222.11990	1.0
223.09621	100.0
224.09976	2.7
229.08633	1.1
233.11601	1.0
243.10173	1.5
245.11734	12.8
255.13890	0.9
261.11215	1.1
267.13721	5.2
273.14804	4.8
285.14777	10.1
289.14301	3.5
291.15866	13.7
303.05075	5.3
303.15872	31.5
315.15839	5.8
321.16937	12.3
331.18988	2.7
339.17850	1.3
341.20978	2.7
343.19012	10.9
359.22107	2.7
361.20062	15.9
373.20062	5.5
377.19235	1.6
379.21152	16.3
391.21051	3.3
399.25488	0.9
409.08148	0.8
411.25229	2.6
429.26135	3.1
447.27417	3.9
465.28906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2842
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
53.03936	1.8
57.07070	1.0
67.05513	1.6
69.03440	1.3
69.07055	18.3
69.07420	1.4
71.05010	1.4
71.81040	1.2
79.05495	3.2
81.03419	1.4
81.07027	6.0
83.01340	5.0
91.05460	2.9
93.07028	6.2
95.04958	1.7
95.08591	3.3
105.03377	16.7
105.07019	3.6
106.03742	3.1
107.08589	4.3
109.06509	2.8
109.10155	3.3
119.08579	1.4
121.06464	3.2
121.10103	8.8
123.11694	3.3
127.00854	1.0
131.08548	2.9
133.10123	3.9
135.08046	4.5
135.11713	2.4
137.05949	3.6
145.10101	1.2
149.09621	3.2
151.03912	1.3
151.11143	1.8
153.05431	9.8
159.08031	3.4
161.05971	1.3
162.06718	3.2
163.07465	7.4
165.05455	67.0
166.05779	2.2
167.03413	1.5
177.05573	1.3
177.09090	15.3
179.03362	13.2
179.07034	1.8
187.07562	5.1
191.07054	2.2
193.04950	7.5
197.04416	7.4
203.06990	2.0
205.08565	66.8
206.08949	1.4
211.09688	2.5
219.10146	2.4
221.11694	45.3
223.09610	100.0
224.10045	3.2
231.10112	1.1
237.11154	1.5
243.10074	1.5
245.08043	4.9
245.11703	9.3
255.38890	1.1
257.08078	13.5
259.08646	1.1
267.13693	6.1
271.09573	6.4
271.12805	1.0
273.14758	2.5
285.14685	5.7
287.16440	4.6
289.14246	2.8
291.15903	14.3
295.09671	4.7
303.04926	3.1
303.15887	20.1
315.15848	2.8
321.16922	10.6
323.12711	4.2
339.18121	3.8
341.21161	2.6
343.18939	8.7
359.22220	2.8
361.20142	9.7
373.19955	3.9
379.18518	32.9
380.19272	1.9
391.20932	4.0
397.20096	4.8
411.25131	2.3
429.26141	2.6
447.26859	1.5
465.26068	20.1
466.27094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.01853	4.5
55.05508	29.4
57.03205	1.6
57.03434	18.7
57.07058	3.4
65.03925	3.7
67.05498	67.6
69.03413	4.2
69.07062	18.2
70.97672	3.2
70.98045	2.9
71.01333	2.5
71.04992	9.5
73.02930	1.3
75.53365	1.3
77.03896	1.7
79.05488	60.7
81.03413	44.9
81.07047	42.0
81.07415	0.9
83.04969	18.9
83.08606	20.3
85.02902	24.6
85.06557	6.8
91.05470	48.6
91.06039	2.4
93.07034	69.6
95.04960	52.2
95.08590	19.4
97.02883	3.3
97.06522	11.6
97.10165	13.1
99.04437	1.8
99.08055	2.6
105.07024	25.5
105.10133	1.6
107.04957	8.9
107.08587	37.9
109.06538	9.7
109.10139	10.5
111.08052	11.6
115.05421	1.9
117.07026	7.4
119.08568	21.7
121.06484	7.6
121.10131	15.5
123.08024	3.6
123.11709	2.6
125.09615	4.5
127.07591	1.6
128.06169	1.6
129.07021	10.9
130.07817	2.5
131.04926	1.5
131.08598	13.4
133.06496	3.9
133.10103	15.1
135.08054	2.7
135.11681	44.1
137.09583	3.5
142.07806	2.2
143.08432	1.8
144.55229	1.5
145.06505	1.8
145.10094	13.5
147.08031	4.5
147.11642	11.8
149.09567	5.8
153.12737	2.0
157.10141	12.6
159.11678	4.8
161.09636	3.2
163.11189	11.5
165.12749	1.8
175.11185	15.3
177.12784	3.0
181.12170	8.4
187.11156	3.4
189.11201	3.5
193.12236	42.9
193.14017	2.2
199.13196	2.4
205.12149	2.7
211.11269	2.7
211.13281	49.4
212.13681	2.9
237.14713	1.9
249.14914	1.8
255.15865	13.3
257.04294	1.9
267.15884	13.6
303.04929	19.3
329.20996	8.6
347.22110	3.9
355.22736	7.2
373.23621	16.1
385.45032	1.6
391.24973	2.0
400.23508	1.4
403.24734	6.5
421.25595	6.7
429.26270	1.9
447.27353	25.6
465.28442	100.0
466.28604	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	465.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.6
57.07049	2.9
59.04979	7.4
67.05490	15.8
69.03407	3.1
69.07059	45.3
70.05249	9.6
71.04984	6.0
79.05468	6.2
81.03406	3.0
81.07047	13.0
82.07346	1.8
82.76585	1.5
83.01347	4.1
83.04975	2.8
84.22727	1.9
85.06536	1.6
91.05457	11.5
93.07034	16.5
94.07411	2.0
95.04934	4.8
95.08597	12.0
96.82225	1.5
97.02876	2.0
97.06518	2.2
105.00051	2.1
105.03382	4.7
105.07005	10.9
107.04910	2.4
107.08584	58.6
108.08926	1.9
109.06507	6.3
109.10133	21.3
113.06001	2.5
117.06970	2.0
119.08562	5.4
121.06507	4.1
121.10111	8.2
123.08034	4.7
123.11665	6.2
127.14288	1.5
131.08553	3.6
133.10118	15.5
135.08041	3.6
135.11650	5.5
145.10136	3.5
147.11690	1.9
151.11159	12.3
153.05461	16.8
159.08075	4.2
159.11577	2.0
163.07507	4.2
165.05482	22.0
165.09157	2.6
167.07022	2.8
173.09627	4.1
175.07561	2.7
175.11133	2.0
177.05502	3.8
177.09073	7.3
179.03326	2.0
179.07001	11.2
181.04906	1.7
189.09109	2.3
191.03429	1.9
191.06972	10.3
191.10570	3.1
193.04984	12.4
193.08603	9.0
193.12238	1.9
199.04364	1.9
201.09145	2.5
203.06969	5.6
205.08563	25.5
211.04218	7.1
211.09474	3.6
215.10605	3.9
217.08557	4.0
219.10126	16.1
221.08046	2.9
221.11522	2.2
223.09631	13.0
229.04968	2.0
229.08601	4.7
229.12126	2.4
231.06482	2.5
231.10214	2.8
233.11699	5.1
237.11169	9.1
243.10109	21.5
244.10701	2.6
245.11697	31.1
246.11975	1.9
249.07527	3.6
249.11226	3.9
257.08051	4.5
257.11734	6.0
259.13324	3.0
261.11179	16.4
273.14709	1.8
275.12924	2.8
280.77866	2.0
283.13260	2.8
285.14801	37.6
286.15195	2.1
289.14185	4.4
291.15958	12.8
293.17633	2.1
301.14380	3.2
301.17899	2.4
303.04984	20.1
303.15881	72.3
304.16199	3.6
313.14282	1.8
315.15881	11.9
316.16223	2.8
321.16916	30.4
325.17896	10.8
341.21088	10.8
342.18243	4.4
343.19022	68.7
344.19327	4.8
351.16147	12.5
359.22031	5.1
361.20050	100.0
362.20502	5.3
371.22079	2.5
373.19693	2.0
378.57642	2.0
379.21152	32.0
391.21130	7.3
391.26804	1.7
411.25342	14.5
429.26083	7.2
435.09286	1.9
447.26981	5.1
465.28394	6.4
466.29044	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.6
57.07067	15.5
67.05496	11.9
69.07063	8.4
69.55212	1.4
69.64123	14.9
71.04961	2.8
71.26984	1.4
79.05477	4.4
81.07056	8.5
83.04971	3.9
83.08591	2.7
85.06493	2.4
91.05450	4.7
93.07049	11.0
95.04940	4.9
95.08590	14.0
105.03352	5.6
105.07005	3.9
107.08578	8.1
109.06451	3.3
109.10153	15.2
119.08563	15.9
121.06458	2.7
121.10133	4.3
123.11631	3.8
127.07520	3.5
131.08551	2.8
133.10135	3.7
135.08080	3.0
135.11693	3.7
137.09613	4.5
143.08528	2.1
145.10103	5.5
146.10712	1.4
147.11667	11.2
149.09592	4.5
149.72163	1.4
153.05453	4.3
153.12675	1.4
157.10085	3.7
159.11642	3.1
161.09596	3.9
163.11192	1.9
165.05513	9.9
173.09615	2.9
175.11244	3.3
179.03375	4.5
187.11137	1.7
197.04538	3.5
199.14780	1.8
205.08591	2.9
205.12137	2.1
215.10680	1.9
219.10075	3.7
221.08076	9.2
221.11687	4.4
223.09653	4.9
237.11095	1.8
239.09109	8.7
241.19284	2.0
251.14305	1.9
257.07990	7.7
269.18973	4.8
287.16364	4.3
287.19885	2.5
287.98593	1.7
289.17950	3.2
293.18933	1.9
294.87262	1.7
303.04977	5.5
311.20035	6.8
329.21085	29.3
339.19208	1.6
361.19958	5.7
367.26151	2.1
371.25894	3.0
379.18542	2.0
395.25812	12.6
413.26828	100.0
414.26990	3.7
429.25729	1.6
447.26978	5.2
465.28372	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2842
Annotation	Xylarenone D
Peak:m/z	Relative Intensity
52.05185	1.1
55.05496	3.4
57.07068	20.1
61.52395	1.2
67.05496	11.6
69.07039	4.1
69.23295	1.1
70.39726	2.3
70.40124	3.3
79.05460	3.9
81.07058	9.2
81.58027	1.1
83.04987	7.0
83.08605	3.3
85.06535	2.8
90.54775	1.1
91.05470	4.9
93.07034	8.9
95.04966	1.5
95.08589	16.3
105.03333	1.5
105.07012	5.3
107.08582	7.4
109.06509	2.5
109.10148	27.6
117.06986	1.9
119.08562	17.4
120.63223	1.0
121.06470	2.1
121.10143	6.3
123.08082	3.7
123.11655	1.5
125.09534	1.3
127.07546	3.8
131.08551	2.1
133.10120	3.8
135.08000	3.0
135.11638	2.2
137.09589	4.5
143.08484	1.8
145.10112	5.6
147.08026	1.3
147.11661	8.3
149.09598	3.8
155.07072	1.4
157.10098	2.8
159.08061	1.9
159.11671	3.2
161.09596	2.3
163.07391	1.2
163.11168	3.1
165.12897	1.7
169.04889	1.5
169.10104	1.9
173.09637	3.6
173.13194	1.5
175.11154	3.0
181.10170	1.3
185.13158	1.3
187.11113	3.8
189.09253	1.4
189.12720	1.6
191.10677	1.8
195.11732	1.3
199.14775	1.9
203.10623	4.7
205.12161	2.8
209.13371	1.5
213.12749	2.1
215.10649	2.6
219.10121	1.4
227.14243	2.2
239.17876	1.4
241.19424	1.6
257.15344	1.8
265.19373	1.6
269.19055	4.8
271.16962	1.9
283.20474	2.3
287.20013	4.7
289.14352	1.4
289.17816	1.6
291.19614	1.8
293.18951	3.2
301.18146	1.2
303.04953	2.7
311.19943	9.9
319.64191	1.2
329.21060	32.6
330.21536	1.4
331.22501	1.3
339.19437	1.4
353.24872	2.1
367.26367	3.0
371.26248	2.4
377.24744	3.3
385.27371	2.6
395.25681	14.9
413.26819	100.0
414.26840	5.8
447.27237	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2843
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
54.53079	1.2
55.05486	4.4
57.03434	1.9
57.07048	1.4
59.04763	1.0
59.04994	13.4
67.05497	11.2
69.03416	1.9
69.07059	8.4
69.75199	9.7
71.04980	13.7
78.12897	1.1
79.05484	8.2
81.03394	3.0
81.07061	8.0
83.01328	2.2
83.04955	3.3
83.08604	2.7
85.02880	2.3
85.06520	1.3
88.04816	1.2
91.05467	8.6
93.07024	10.6
95.04968	7.8
95.08585	14.8
105.03364	2.8
105.07021	7.2
107.04955	1.6
107.07951	1.8
107.08571	11.1
109.06501	2.2
109.10146	10.4
117.06970	3.0
119.08575	6.1
121.06557	3.0
121.10107	6.8
123.08047	10.3
123.11710	8.4
124.75026	1.2
129.06976	2.7
131.08533	2.9
133.06479	1.7
133.10074	4.8
134.72066	1.2
135.04387	1.4
135.08025	2.2
135.11667	14.5
137.05989	1.3
137.09650	1.5
142.07739	5.1
145.10123	3.4
145.11456	1.0
147.11646	2.8
149.05980	1.3
149.09558	2.7
149.13210	6.4
151.07629	1.5
153.05479	3.3
157.10072	4.7
159.07985	3.4
159.11668	1.3
161.09583	2.2
161.13237	2.8
165.05435	2.6
165.09090	2.9
171.11708	1.6
173.09534	4.1
175.07516	1.7
175.11176	3.3
177.05447	8.3
177.09087	5.7
179.03386	2.1
179.07016	2.7
185.09515	3.1
187.07552	1.8
187.11108	2.2
189.05466	2.8
189.09172	1.7
189.12674	1.5
191.06943	2.5
191.10652	11.0
193.04930	12.3
193.08672	1.6
193.12206	3.5
195.10040	2.9
197.04471	2.5
201.05502	1.3
201.08981	6.2
203.07109	2.1
203.10678	2.7
203.14267	1.4
205.08543	5.6
211.05968	28.6
211.13248	3.3
212.06334	1.5
215.06981	8.1
217.12250	3.9
219.10112	13.6
221.08029	3.2
223.09599	2.9
225.14862	1.3
229.08575	30.5
231.10138	22.4
233.08115	6.3
235.13258	7.6
241.08612	3.4
243.13780	5.3
247.09621	13.8
257.08023	1.5
259.13422	1.8
261.14844	8.7
271.13245	11.7
275.16400	3.1
277.14297	5.1
287.16324	6.7
289.14304	100.0
290.14484	2.6
303.04929	7.0
313.21747	2.0
315.15790	2.2
341.21005	4.2
361.20181	8.4
373.23785	2.5
378.17789	1.4
379.17993	3.5
383.25729	12.5
401.26874	8.1
411.25253	69.5
412.25323	3.9
429.26352	19.8
430.26602	1.5
447.27200	6.1
465.28412	9.6
466.31424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2631
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
52.16506	0.6
53.03925	1.2
55.01861	1.3
55.05492	0.8
57.66952	0.7
63.70673	0.6
67.05486	2.5
69.03419	0.8
69.06710	1.0
69.07062	17.0
70.96723	1.7
81.07038	2.6
83.01315	3.5
93.07021	2.7
95.04957	3.9
95.08598	0.7
105.03382	32.3
105.04440	1.5
107.08576	3.6
109.06504	0.8
109.10131	3.0
123.11678	2.2
135.11652	5.1
137.02332	1.9
141.01811	2.6
151.03877	4.3
153.05457	1.1
153.12726	0.7
155.03426	0.9
161.05951	3.3
163.03870	1.2
165.05441	6.4
167.03394	1.4
167.07010	2.5
174.83591	0.7
177.05437	1.2
179.03377	52.7
181.04881	0.7
187.65535	0.7
191.03369	3.1
191.07100	1.4
193.04892	1.5
195.02870	0.8
197.04436	28.4
203.03476	0.8
203.06976	1.5
205.04958	0.7
205.08539	1.1
209.04382	1.3
217.04906	2.6
219.06290	0.8
219.10179	1.1
221.04414	1.3
221.11699	2.5
231.10187	1.0
233.08105	3.4
235.06030	5.2
245.08034	3.4
257.08063	100.0
258.08368	2.6
258.22192	0.8
269.08066	5.6
271.09509	2.2
275.16360	1.0
281.08063	1.0
283.09528	0.8
287.16412	9.0
295.09659	6.9
305.17422	1.9
309.10794	0.9
311.12701	11.5
311.78708	0.7
319.15192	0.7
323.12726	2.0
343.22775	3.6
379.18985	31.2
379.23828	1.6
380.19482	2.3
391.18829	0.7
397.20050	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2632
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.03942	1.9
55.01860	0.9
55.05489	1.2
67.05485	1.4
69.07060	6.6
69.73750	4.9
69.74143	1.0
70.22928	0.6
79.05476	0.7
83.01334	2.5
84.76802	0.6
91.05468	2.5
93.03342	1.0
93.07024	8.3
95.04960	3.2
95.08588	2.8
105.03379	30.8
105.04437	1.2
107.08576	9.9
109.10133	2.2
114.56798	0.7
119.08535	1.2
123.11702	2.2
128.18265	0.8
135.11682	15.7
137.02321	3.5
141.01819	2.8
141.05400	0.8
151.03883	4.0
155.03439	1.6
165.05450	7.0
167.03340	4.2
179.03374	73.8
180.03745	1.0
193.04929	1.1
195.02901	1.1
197.04427	37.9
221.11658	0.8
224.62479	0.8
240.53276	0.6
245.08148	5.5
255.06183	0.9
257.08063	100.0
258.08459	1.9
269.15430	1.0
271.09650	1.2
287.16437	6.4
313.14325	3.2
325.14258	2.3
377.17471	2.9
379.18997	25.3
391.18991	8.3
397.20203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01868	1.6
69.07058	10.1
70.70358	3.9
79.05484	1.1
81.07034	4.5
83.01326	3.4
91.05445	1.8
93.07022	3.9
95.04964	5.6
95.08574	1.1
105.03378	54.0
107.08577	5.4
109.06512	1.1
109.10083	1.4
123.10873	1.6
123.11687	17.6
135.11658	7.2
136.33098	0.9
137.02299	4.3
141.01784	4.3
142.18198	0.9
151.03880	5.4
153.05406	1.1
155.03374	2.3
165.05467	12.1
166.05676	2.1
167.03394	2.5
179.03371	74.2
193.04924	2.4
195.02864	1.5
197.04427	38.8
217.04941	2.7
221.11801	5.1
232.21841	1.0
238.11514	2.8
239.11789	1.5
241.45486	1.1
245.08081	4.5
257.08057	100.0
258.08536	2.3
269.15402	1.4
271.09631	3.4
287.16422	5.9
289.17029	1.1
295.09592	3.4
323.12656	2.2
325.14261	10.1
379.18997	32.1
380.19434	1.7
391.19089	7.8
397.20044	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.263
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.03930	4.4
55.05500	2.7
56.02086	1.3
56.27347	1.5
67.05486	4.1
69.07068	22.7
69.80165	7.4
69.80594	4.3
77.03933	1.5
78.70300	1.7
81.07049	9.6
82.35043	1.3
83.01328	3.8
91.05456	1.5
93.07033	5.3
95.04946	7.0
95.08582	4.1
98.20721	2.7
105.03381	94.0
107.08574	7.1
109.10126	3.5
123.04455	1.8
123.11722	12.3
124.63690	1.4
133.10176	1.5
135.11671	7.8
137.02290	3.4
137.09599	1.4
141.01834	2.1
151.03902	6.3
151.11211	2.3
155.03374	2.3
164.59312	2.0
165.05469	16.6
167.03419	2.3
179.03374	80.3
191.03346	1.7
193.04971	2.4
195.02841	1.5
197.04431	36.7
203.03366	2.8
217.04977	9.3
221.11702	3.5
223.09660	1.4
227.14137	1.6
245.04382	8.2
245.08055	5.9
249.27988	1.7
257.08060	100.0
258.08444	2.6
269.15231	1.9
271.09683	3.4
273.03873	29.2
274.04230	2.1
281.08029	2.7
287.05618	1.5
287.16293	11.9
295.09628	6.2
297.11282	1.7
305.17609	1.6
323.12759	3.4
325.14294	15.5
329.09955	7.3
341.10236	1.9
343.22546	3.1
377.17429	3.4
379.18976	73.0
380.19617	2.9
391.18933	27.0
391.23788	2.2
392.19443	2.4
395.18527	1.6
397.16000	17.3
397.20404	4.7
399.68073	1.5
447.25040	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2629
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.03919	2.3
61.85296	0.6
67.05479	2.7
68.88320	0.7
69.03420	1.0
69.07056	20.3
69.52081	7.6
71.04980	0.8
79.05518	0.9
79.70244	0.7
81.07033	2.7
83.01314	1.7
91.05494	0.9
93.07029	6.7
95.04963	5.3
95.08595	1.2
105.03378	70.3
106.03748	1.2
107.08574	5.6
109.10159	3.3
121.06476	2.2
123.04433	1.2
123.11673	1.0
135.11670	9.6
137.02342	2.3
141.01831	1.2
147.26944	0.7
151.03903	2.9
153.05437	1.3
153.12749	1.9
155.03358	1.3
165.05489	3.0
167.03423	3.2
177.12778	0.9
179.03375	41.5
179.06943	2.7
189.05571	1.0
191.03275	1.1
192.89586	0.7
193.04941	29.8
195.02887	1.6
197.04428	18.1
198.04834	0.7
203.03223	0.9
207.06421	0.9
211.05960	4.5
217.04889	4.5
219.06442	1.0
231.10182	0.9
235.06064	2.0
245.08066	14.6
257.08054	48.2
258.08450	1.6
267.10147	1.2
271.09622	29.1
281.08099	0.9
285.11078	0.8
287.16428	8.8
295.09613	18.6
299.12839	1.6
301.14365	2.1
305.17514	1.8
309.11221	1.8
313.14261	1.4
319.15390	1.1
323.12732	24.9
324.13269	0.8
337.14420	0.9
377.17593	4.0
379.18991	100.0
380.19473	3.6
391.18991	15.9
395.18579	2.5
397.20053	43.2
398.20377	1.5
409.19992	3.7
447.25421	2.2
465.26169	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.9
67.05476	2.0
69.07058	17.4
70.04413	6.2
74.11248	0.9
77.03934	1.1
79.05479	1.1
81.07045	2.2
83.01327	1.6
93.07018	7.7
95.04940	5.2
96.35784	1.0
100.30494	1.0
105.03378	51.2
107.08587	3.3
109.02882	1.2
109.10149	3.3
135.11665	7.5
135.36975	0.9
137.02325	2.3
151.03912	1.5
153.05554	1.1
155.03391	1.4
165.05493	2.7
167.03395	3.3
179.03368	30.2
179.06998	1.7
189.05388	1.3
191.03349	1.4
193.04939	22.0
197.04439	17.4
211.06081	2.2
217.04944	14.2
235.05977	2.3
245.08034	12.2
257.08057	40.6
258.08450	1.1
259.09738	1.1
267.10184	1.1
269.08142	1.5
271.09619	20.4
285.11353	1.3
287.16376	7.8
295.09650	21.8
299.12906	1.8
301.14362	2.6
303.04788	1.5
305.17419	1.8
323.12793	18.9
377.17249	2.7
378.18033	1.3
379.18985	53.0
380.19458	2.0
391.18997	12.6
395.18420	5.3
397.20056	100.0
398.20322	2.7
409.20071	3.5
421.94995	1.2
429.23633	1.4
447.24951	2.9
465.26117	41.7
466.26340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2629
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
53.03934	2.2
55.01861	2.4
61.88445	0.6
63.69087	0.7
67.05481	1.3
68.99776	0.9
69.07053	7.7
71.06642	1.5
71.07008	1.4
71.32039	0.6
79.30014	0.7
81.07045	1.0
83.01318	5.7
88.10767	0.7
93.07026	2.9
95.04947	6.2
105.03377	45.0
107.08581	2.9
109.02886	0.7
109.10052	0.7
123.04428	0.9
123.11720	3.7
135.11681	4.9
137.02313	5.7
141.01814	5.3
148.72375	0.8
151.03876	7.4
155.03391	2.3
165.05475	9.7
167.03365	2.3
179.03374	94.1
180.03748	1.2
195.02837	1.7
197.04434	37.8
211.07475	1.0
217.04854	1.1
221.11700	1.6
245.08038	1.3
255.06503	0.8
257.08054	100.0
258.08398	2.0
287.16409	4.2
325.14273	14.8
377.17154	1.2
379.18994	29.0
391.18967	6.0
397.20020	1.6
416.10248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05488	2.4
57.07063	2.7
64.92996	1.5
67.05483	5.2
69.03403	3.6
69.06765	1.9
69.07059	24.3
71.04962	3.5
71.79060	2.5
79.05461	5.0
81.07059	9.3
83.01328	5.6
91.05466	4.3
93.07037	14.1
95.04942	4.7
95.08563	4.6
105.03374	39.3
105.07018	3.2
107.08584	9.5
109.06447	2.1
109.10176	10.5
111.49942	1.8
119.08472	1.7
121.06475	3.8
121.10104	6.2
123.04398	2.0
123.11666	2.6
127.11238	2.5
131.08551	2.4
133.10123	5.8
135.08031	3.2
135.11687	9.1
137.02298	3.7
145.10104	2.3
149.09656	1.9
151.03871	2.4
151.11078	2.1
153.05441	7.1
155.03398	2.2
159.07961	3.2
162.06732	2.1
163.07484	3.6
165.04100	2.7
165.05461	48.0
167.03304	2.8
177.05513	2.3
177.09103	8.7
179.03374	37.7
179.06985	6.3
187.07478	3.0
189.05447	2.5
189.09045	2.2
191.06990	2.2
193.04941	24.9
197.04430	17.6
203.06952	2.8
205.08572	35.7
208.85309	1.7
211.06024	2.1
217.04910	4.5
221.11713	28.6
223.09634	56.3
227.34651	1.8
235.05930	2.8
243.13593	1.7
245.08076	16.8
245.11708	5.4
257.08029	32.4
267.13791	2.8
271.09610	20.3
273.14877	2.9
285.14777	4.6
287.16403	12.2
289.14264	1.9
291.15955	12.1
295.09631	11.4
301.14185	1.8
303.05026	15.5
303.15854	19.1
321.16891	8.8
323.12750	15.0
339.18085	2.6
343.18939	6.0
343.22617	2.1
359.22296	3.2
361.20160	10.1
373.20041	3.2
379.18881	100.0
391.18994	3.7
396.18860	3.0
397.19974	9.9
411.25095	2.2
429.25766	2.8
447.25320	3.8
465.26053	87.2
466.26761	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	465.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.4
55.01848	1.1
55.05280	0.5
55.05502	5.0
57.03434	2.1
57.07053	0.7
59.24757	0.5
61.31041	0.4
65.03921	0.7
65.20196	0.4
67.05495	11.8
69.03411	0.6
69.07059	5.1
70.60639	0.4
70.83972	1.0
70.84377	0.9
71.01324	1.0
71.04963	1.7
79.05486	8.9
81.03405	9.0
81.07047	8.7
83.04977	3.7
83.08593	3.1
85.02886	3.7
85.06519	0.4
91.05458	8.7
93.07037	11.3
95.04954	6.3
95.08609	3.0
97.06532	2.5
97.10162	2.1
99.04407	0.5
99.08047	0.6
103.05416	0.4
105.00104	0.6
105.03365	1.0
105.07021	4.6
107.04923	1.8
107.08577	7.3
109.02876	1.3
109.06514	2.2
109.10128	1.8
111.04360	0.6
111.08043	1.7
113.58879	0.4
117.06983	1.5
119.08548	3.8
121.06479	1.3
121.10135	3.4
123.08032	1.2
123.11684	1.7
125.09598	0.6
127.03886	0.9
127.54614	0.4
129.06969	1.1
131.08511	1.6
133.06461	0.6
133.10112	3.2
135.04344	0.4
135.11674	9.7
137.05927	1.9
137.09578	1.0
142.07677	0.6
143.08537	0.5
145.10086	2.1
147.07991	0.5
147.11615	2.2
149.02286	0.5
149.09576	1.0
152.65672	0.4
153.05457	2.7
153.12738	0.5
157.10130	2.1
163.03867	1.9
163.11147	1.2
165.05444	6.7
167.03255	0.4
175.11214	2.6
177.05475	0.7
177.12625	0.6
179.03328	0.5
181.05002	0.6
181.12267	1.6
187.11211	0.5
191.03380	2.9
192.04144	0.9
193.04935	100.0
193.12201	5.8
194.05287	2.2
195.06522	1.3
197.04431	0.6
199.04239	1.0
201.09071	0.5
205.08522	0.4
211.04227	6.7
211.13254	8.1
211.15144	0.6
217.05003	0.5
219.10078	0.6
221.15471	0.5
228.30409	0.5
231.06476	1.1
233.08098	1.7
237.07593	0.8
239.03683	18.6
240.03976	0.7
245.04828	1.5
249.14803	0.5
255.15839	2.4
257.04752	39.9
258.04932	0.5
259.09561	0.8
261.11362	0.7
267.15936	1.7
273.11224	1.6
275.16382	1.6
289.14365	0.5
303.04956	7.6
313.14273	1.3
315.15866	5.8
316.16641	1.0
329.20956	0.6
333.15042	3.2
341.20758	0.6
355.22385	0.6
361.14557	1.7
373.23853	1.1
379.15591	7.4
403.24484	0.5
429.26041	1.3
438.93619	0.4
447.27527	4.3
465.28381	17.9
466.31256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01862	1.5
55.05479	2.8
57.07055	1.7
65.03940	0.8
67.05496	4.5
68.99789	1.1
69.03398	1.1
69.07059	32.4
69.88885	3.0
69.89306	2.0
71.04984	1.0
73.33316	0.7
73.52220	0.7
78.22029	0.7
79.05475	2.7
81.07038	16.6
83.01319	2.5
83.04945	0.8
83.08629	1.6
87.59161	0.7
91.05485	1.8
93.07035	4.8
95.04934	3.3
95.08594	4.7
97.06512	0.8
98.21442	1.0
98.26340	0.7
105.03372	39.0
105.07007	1.7
106.03722	0.8
107.08567	5.0
109.06452	1.1
109.10114	3.1
109.38609	0.7
111.11694	0.7
121.06463	0.9
121.10137	1.7
123.11698	6.2
127.03905	0.9
130.89127	0.7
135.11661	5.3
136.12001	0.8
137.02321	2.2
137.13263	1.1
139.85106	0.7
141.01825	2.0
142.24821	0.7
151.03867	2.9
151.11229	1.1
153.05501	0.9
155.03383	1.4
155.47668	0.7
161.06042	0.8
163.07492	0.7
165.05466	12.5
166.05798	2.6
167.05936	1.0
173.09584	1.2
177.09091	1.0
178.57932	0.7
179.03368	38.3
182.48154	0.8
191.03343	0.9
193.04929	1.2
197.04420	24.5
203.03389	1.2
203.06979	0.7
205.08469	1.6
217.04967	8.6
219.10176	2.6
220.10521	1.6
221.11620	2.1
222.11967	2.2
223.09576	1.9
223.12424	0.8
226.65245	0.7
229.05025	1.4
235.05870	0.8
237.11160	2.1
238.11476	2.5
239.11731	1.9
245.04413	27.8
245.08098	1.5
257.08044	51.6
259.06000	1.1
261.03830	1.4
264.55109	0.8
271.09592	1.5
273.03885	100.0
274.04294	3.1
281.08051	1.6
285.03830	7.9
287.05411	6.4
287.16388	6.2
288.16507	2.1
289.17020	2.0
295.09616	2.7
299.05475	0.8
301.07016	3.3
303.04861	2.4
305.17358	1.5
306.17746	0.8
309.18369	1.0
311.12720	0.8
311.16235	1.4
311.82748	0.9
313.06949	0.9
315.08542	2.0
323.09094	1.4
323.12659	1.0
325.14313	4.4
327.08640	1.0
329.10123	24.0
330.10733	0.9
341.10080	5.5
343.22461	1.1
355.10898	0.9
359.22009	0.9
360.22211	1.1
361.22711	2.8
377.17538	1.5
379.18961	24.8
379.23615	1.7
380.19525	1.0
391.19019	7.1
397.16360	63.4
398.16626	2.5
409.16153	1.3
429.26321	2.8
465.22397	1.6
478.95877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05453	1.6
69.07057	13.4
78.23328	0.5
79.05464	0.7
81.07005	2.2
83.01308	1.1
84.17599	0.6
93.06974	1.6
93.90710	0.7
95.04919	2.2
95.08595	0.6
105.03382	11.6
105.06977	0.8
107.08549	1.5
109.10104	1.3
121.10114	1.1
123.11666	1.5
135.11624	2.5
135.12596	0.6
141.01764	1.0
151.03844	1.2
152.08075	0.5
161.05925	2.3
165.05450	3.5
168.26126	0.5
179.03371	17.2
181.63246	0.5
183.27171	0.6
191.03369	1.1
193.05016	0.8
197.04446	12.0
201.01675	0.6
201.05473	3.7
205.08487	0.8
217.04793	0.7
219.10159	0.7
221.11511	0.8
223.09660	0.9
229.04929	17.0
233.08076	1.0
235.06004	2.4
241.05014	0.7
244.07065	2.0
245.08026	1.4
255.06293	1.7
256.06967	1.2
257.04443	26.6
257.07880	76.8
258.04770	1.2
258.08597	11.0
269.07950	1.8
271.02216	0.8
271.05688	0.7
271.09668	1.1
273.03909	1.9
285.03909	100.0
286.04300	4.5
287.16330	3.2
295.09567	4.2
297.03787	2.1
299.05737	2.8
303.05035	0.8
308.06827	1.1
311.12555	2.7
313.11002	1.0
323.09308	1.0
323.12659	0.7
325.14127	7.2
329.09985	0.8
335.12430	4.4
340.76831	0.6
341.10165	47.0
342.10641	1.4
343.22601	1.0
344.23044	0.6
353.10043	1.4
361.22723	0.7
378.18045	2.4
379.19061	9.9
391.18896	0.8
395.18378	0.9
396.19031	2.6
397.16309	91.0
398.16776	4.6
447.25247	2.5
465.26181	44.9
466.26468	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	465.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
56.77299	0.6
61.67207	0.6
65.63815	0.7
67.05480	1.4
69.07053	12.4
71.81560	0.9
77.22559	0.6
77.80450	0.6
79.05437	0.7
80.79752	0.7
81.07021	0.9
83.01341	1.0
83.84222	0.6
85.04056	0.7
93.07002	1.5
95.04919	1.3
95.08560	0.8
105.03373	10.7
107.08546	1.7
109.10135	1.4
121.10123	0.7
123.11658	1.8
135.11606	2.2
137.02275	0.8
141.01772	1.3
151.03854	1.1
155.03336	0.9
161.05928	0.8
165.05457	2.3
167.03329	0.8
173.18750	0.7
179.03368	14.8
191.03238	0.9
197.04411	10.5
201.05402	4.3
205.08586	1.0
219.02657	1.0
219.10080	0.9
221.11525	0.9
223.09621	0.9
229.04933	15.9
233.08025	1.1
235.05959	1.6
241.04907	0.7
244.07057	3.2
245.08064	1.0
255.06252	1.5
256.06992	1.2
257.04422	25.2
257.07861	77.8
258.04767	1.5
258.08548	11.1
269.07874	1.3
271.02118	0.8
273.03949	1.3
285.03897	100.0
286.04227	3.7
287.16293	1.9
294.05142	1.0
295.09558	3.8
297.03754	1.8
298.10507	1.1
299.05414	3.7
302.77359	0.6
303.04962	1.9
306.96677	0.7
308.06659	1.0
309.11053	0.7
311.12631	2.5
313.10678	1.2
314.85684	0.6
323.09131	2.1
325.14069	7.9
335.12415	5.4
341.10147	47.3
342.10483	1.4
343.22644	1.5
353.10196	1.4
363.15750	0.9
378.18033	2.0
379.18991	9.9
396.19247	3.4
397.16272	90.9
398.16705	4.9
419.17245	1.1
447.24835	4.1
465.26117	46.7
466.26233	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1175
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.45123	0.3
53.03918	0.5
55.01846	0.4
55.05473	1.3
56.08965	0.3
57.03408	0.7
57.07044	0.3
61.02896	0.4
65.03908	0.5
67.01859	0.4
67.05492	3.1
68.99780	0.3
69.07027	0.9
69.70506	2.3
71.04961	0.5
79.05490	3.0
81.03413	1.6
81.07047	2.5
83.04942	1.0
83.08568	0.7
85.02878	1.1
87.96520	0.3
91.05461	3.5
93.07028	2.7
95.04967	1.6
95.08560	1.1
95.93842	0.3
97.02859	0.6
97.06495	0.8
97.10144	0.4
102.04651	1.0
103.05457	0.5
105.07008	1.7
107.04912	0.6
107.08560	1.5
109.06497	0.3
109.10097	0.8
110.03623	0.8
115.05411	0.5
117.03334	0.4
117.06995	0.5
117.82693	0.3
118.04184	0.3
119.04900	1.4
119.08536	0.8
121.10136	0.7
123.04345	0.4
123.92246	0.3
130.04099	1.5
131.04857	0.5
131.08513	0.8
133.06493	0.4
133.10068	0.9
135.04382	0.8
135.11662	1.9
136.05190	1.3
137.05928	1.2
137.09538	0.4
139.64937	0.3
145.10126	0.4
146.03632	2.5
147.04379	2.5
147.11621	0.7
148.05165	3.9
151.07452	0.4
153.01814	4.6
157.10052	0.7
161.05956	3.3
162.06711	0.8
163.03876	2.0
163.11099	0.5
164.95392	0.3
175.11156	0.6
181.12207	0.4
193.12224	1.4
203.03363	4.0
211.13278	1.5
213.05443	0.6
229.04947	4.3
241.04976	0.8
242.05699	11.0
253.04915	3.3
255.15863	0.8
257.04413	48.6
258.05188	16.5
259.05734	0.4
267.15942	0.6
269.04398	1.3
270.05222	2.4
271.05945	1.8
283.05975	0.8
285.03888	7.8
285.06900	0.5
286.04675	30.3
287.05438	16.0
295.06140	0.4
297.03900	4.7
299.05457	2.1
300.05911	0.5
303.04935	5.0
311.05481	0.4
327.04794	1.9
341.06488	1.4
359.08960	0.4
373.06992	0.9
387.08734	0.9
389.06619	0.9
391.08060	0.4
403.08182	1.4
415.08014	0.7
431.07483	0.3
432.08328	3.0
435.10590	4.4
447.10730	14.2
447.27386	1.2
448.11310	0.8
465.11771	100.0
465.28476	4.1
466.12155	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	465.1177
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03933	0.4
55.01841	0.6
55.05515	1.8
57.03402	1.2
57.07042	0.6
61.02909	0.9
63.93629	0.3
66.12496	0.4
67.05495	6.2
68.99767	0.7
69.03411	0.9
69.07065	2.0
71.01250	0.4
71.04959	1.5
73.02876	0.5
79.05482	4.4
79.79852	0.3
81.03416	2.0
81.07047	4.3
82.07368	0.4
83.04948	1.6
83.08603	1.0
85.02895	1.9
85.06499	0.8
91.05466	5.9
92.05796	0.5
93.07036	5.7
95.04958	3.2
95.08605	3.0
97.02828	0.6
97.06537	1.7
97.10157	0.7
102.04688	0.4
103.05428	0.4
105.03382	0.4
105.07026	3.3
107.04927	0.7
107.08583	3.5
109.06472	1.3
109.10165	2.2
115.05456	0.4
117.06999	0.9
119.04912	0.7
119.08555	2.7
121.06456	0.8
121.10107	1.5
123.04417	2.0
123.08013	1.1
123.11623	0.5
129.06982	1.0
131.04910	0.4
131.08513	1.4
133.06461	0.4
133.10120	3.0
135.04398	0.7
135.07993	0.9
135.11714	3.3
136.05211	0.8
137.02312	0.7
137.05928	0.6
137.09589	0.9
139.03841	1.2
141.09030	0.7
143.08466	0.5
145.10081	1.7
146.03612	0.5
147.04343	1.1
147.08025	0.5
147.11667	1.7
148.05080	0.8
149.09642	0.9
150.06769	0.5
151.11206	0.6
153.01810	3.1
157.10081	0.7
159.08025	1.3
159.11641	0.6
161.05957	0.9
161.09576	0.4
163.03894	0.7
163.11127	1.1
165.09090	0.5
166.06221	0.6
169.09866	0.4
171.11688	0.4
175.11122	1.1
177.12712	0.5
181.12234	0.9
183.06667	0.5
183.11613	0.4
193.12245	1.8
203.03391	6.6
211.13290	1.1
213.05467	0.5
219.10129	0.4
229.04926	6.5
241.04861	0.6
242.05615	2.5
255.15868	2.3
257.04428	97.2
258.05063	5.5
267.15945	1.3
269.04391	1.0
270.05252	0.8
285.03940	5.6
286.04688	8.8
287.05450	9.9
295.05954	0.4
297.03912	6.3
297.18536	0.5
299.05475	0.5
303.04977	14.1
341.21173	0.5
355.22488	0.7
373.06851	0.4
373.23563	0.5
375.08530	0.7
385.23550	0.5
387.08423	0.7
391.08173	1.1
403.08078	1.3
419.07501	0.9
421.26074	0.5
429.26208	1.4
432.08286	1.2
435.10800	6.1
447.10751	2.7
447.27380	3.7
465.11792	100.0
465.28427	5.5
466.12292	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01851	0.8
55.98454	0.3
57.03420	1.0
61.02917	2.9
68.99773	0.7
69.03422	3.6
70.88692	0.8
73.02913	0.7
81.03397	2.0
85.02898	9.8
87.04457	0.5
91.03931	0.9
91.05994	0.2
95.04980	0.3
97.02875	4.3
99.04457	0.4
109.02858	1.4
111.00782	1.0
121.02843	1.2
123.04375	0.3
127.03894	2.2
137.02325	3.0
137.03276	0.4
145.04964	1.7
149.02271	0.5
153.01820	3.9
161.05969	0.4
163.03864	0.5
165.01840	2.1
166.02501	0.3
173.06006	0.6
183.02885	0.9
183.04332	0.3
187.03952	0.5
195.02786	0.4
201.05463	1.8
219.06564	0.3
220.72710	0.3
229.04945	4.7
239.03351	0.3
247.06000	0.6
257.04443	3.1
274.04605	0.9
285.03983	1.6
286.04376	0.3
303.04959	100.0
304.05255	3.5
383.60889	0.3
476.92993	0.3
484.37625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01841	0.3
55.05505	0.2
57.03415	1.0
61.02630	0.5
61.02919	6.2
65.41326	0.2
68.99791	0.6
69.03419	3.1
70.06559	0.3
71.01337	0.2
71.38240	0.2
73.02538	0.4
73.02908	6.5
81.03399	1.1
85.02891	8.6
87.04431	0.4
91.03938	4.7
93.07037	0.5
95.04966	0.3
95.45051	0.2
97.02876	4.1
98.20714	0.4
99.04430	0.8
101.02355	0.4
103.03931	0.3
109.02862	0.9
109.10168	0.2
111.00770	1.0
115.03905	0.5
117.05502	0.3
121.02844	0.9
123.04409	0.3
127.03883	2.1
137.02321	3.0
145.04922	1.6
147.11740	0.2
153.01785	3.6
163.03877	0.5
163.05968	0.3
165.01785	1.8
166.02548	0.3
171.63884	0.3
173.05914	0.4
183.02832	0.5
187.03766	0.2
195.02866	0.4
200.63226	0.2
201.05498	1.5
222.12076	0.4
229.04941	4.4
247.06030	0.6
257.04422	2.6
274.04581	1.1
276.77548	0.2
285.03870	1.3
302.04141	0.5
303.04950	100.0
304.05322	2.7
313.03467	0.3
345.06039	0.5
420.25977	0.3
449.56296	0.3
465.09967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.26841	0.3
52.95700	0.2
54.13939	0.2
54.19221	0.2
54.73727	0.2
55.90018	0.2
57.03420	0.5
59.52751	0.3
61.02621	0.5
61.02919	6.9
65.03903	0.3
67.05505	0.2
68.99783	0.8
69.03405	1.0
70.07060	0.9
70.07457	0.4
71.57151	0.2
73.02911	1.3
75.39582	0.2
80.12397	0.3
81.03415	0.6
85.02891	5.5
91.03947	4.5
93.03391	0.3
97.02881	3.5
99.04438	0.2
109.02856	0.7
111.00778	1.0
115.03828	0.3
117.88129	0.2
121.02834	1.0
123.76402	0.3
127.03893	1.0
137.02315	3.7
145.04939	0.9
149.02293	0.4
153.01805	3.9
161.06018	0.3
163.03873	0.8
165.01811	2.2
169.98062	0.3
173.06012	0.3
177.01884	0.2
179.72182	0.3
183.02849	0.6
183.04356	0.3
185.06059	0.3
186.46707	0.2
191.03320	0.3
195.02870	0.3
195.64966	0.2
201.05475	1.9
205.05035	0.3
219.06435	0.4
229.04912	4.6
247.05965	0.8
257.04428	3.5
274.04639	0.7
285.03931	1.6
303.04953	100.0
304.05264	3.0
356.10965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01854	5.6
55.05485	3.7
57.03421	4.1
57.07063	1.8
59.04963	1.8
61.02896	2.8
67.05496	8.8
69.03421	34.7
69.07023	2.4
70.17047	3.3
70.17461	8.9
71.01341	3.6
71.04971	7.7
73.02905	5.9
75.50076	1.6
79.05485	19.1
81.03387	3.3
81.07040	36.7
83.04972	34.8
85.02892	27.8
85.06517	7.8
91.05449	13.6
93.07036	25.2
95.04955	60.2
95.08569	6.9
97.02873	15.5
97.06508	7.7
99.04433	7.0
101.05995	6.3
105.06342	2.1
105.07017	38.4
107.04945	10.5
107.08592	14.9
109.02881	4.2
109.06500	59.3
111.04424	6.0
111.08054	20.5
113.05994	32.8
115.03896	7.1
115.05489	2.0
117.06999	7.4
119.04917	6.0
119.08553	9.7
121.06478	20.0
121.10130	3.7
123.04392	4.0
123.08025	7.0
125.06013	2.2
127.03913	8.5
127.07553	8.9
128.06190	2.3
129.05417	5.2
129.06979	9.4
131.04898	3.2
131.08565	10.1
133.04933	2.6
133.06483	10.7
133.10110	11.3
135.08038	46.8
135.11674	4.9
137.02327	3.2
137.05989	23.7
139.03856	2.9
139.07529	2.7
141.05441	8.9
142.07712	15.2
143.08517	7.7
144.09309	2.5
145.04921	8.0
145.06453	4.8
145.10072	13.9
147.08000	4.5
147.11662	15.8
151.07545	2.8
153.01830	3.0
153.09018	2.5
155.07040	5.5
157.10109	29.3
159.06494	29.2
159.08009	12.0
159.10501	3.2
159.11676	27.9
161.09605	20.0
163.07538	2.6
163.11156	10.8
167.08511	2.1
169.10066	3.9
171.08058	4.1
173.08034	8.8
173.09618	6.3
175.11127	26.1
177.12750	3.6
179.10701	5.2
180.08656	4.0
181.12218	7.2
185.09579	24.1
187.11171	26.9
189.08966	2.9
189.87537	1.9
193.12256	5.8
203.10657	47.3
205.12238	24.6
213.09053	18.8
221.11693	77.4
222.12053	2.3
223.13255	4.5
225.11288	3.7
229.04892	2.2
231.10086	23.4
239.12785	27.4
249.11200	34.0
260.07892	2.2
267.12247	100.0
285.13263	13.3
302.16016	2.2
303.04959	52.8
429.17444	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	2.8
55.05502	18.0
55.94250	1.7
57.03424	2.4
57.07067	33.4
67.05497	23.0
69.03409	2.8
69.06695	4.4
69.07060	71.2
71.04960	4.8
71.08617	18.1
71.81650	1.9
71.82078	2.7
79.05477	15.9
81.06603	3.8
81.07045	48.6
82.07320	2.2
83.01311	2.8
83.04985	3.1
83.08610	17.0
85.06503	2.9
85.10166	13.8
91.05456	16.0
93.07028	35.7
95.04950	3.3
95.08595	48.5
96.08919	1.9
97.10150	17.2
105.03371	7.3
105.07013	39.4
105.22542	1.9
107.08586	44.0
109.06509	6.3
109.10128	32.7
110.10485	2.3
111.04409	1.8
111.08096	3.0
111.11683	8.5
117.06961	9.2
119.08562	32.1
120.19771	1.8
121.06520	2.4
121.10117	30.0
123.08071	4.5
123.11691	34.6
129.07002	4.5
131.08543	22.2
133.10112	22.3
135.07994	6.8
135.11678	27.6
137.05939	5.9
137.13226	6.5
143.07004	4.0
143.08560	6.6
145.10106	30.0
147.08087	2.9
147.11674	26.1
149.09569	6.0
149.13225	13.2
151.07516	2.3
151.14804	3.4
153.05444	8.2
155.07024	9.6
155.08359	3.1
157.10109	7.7
159.08055	4.9
159.11679	21.7
161.09511	2.6
161.13196	9.9
163.07532	5.8
163.11137	3.5
163.14760	5.5
165.05461	84.8
165.09090	6.2
166.05746	3.5
169.04871	2.3
169.10100	2.8
171.11646	8.8
173.09573	8.7
173.13205	9.6
175.07491	2.5
175.14774	7.0
177.05421	6.6
177.09062	18.4
177.16396	3.5
179.03403	4.9
179.06982	4.1
179.10593	3.7
183.11670	3.7
185.09630	2.3
185.13342	4.9
187.14777	5.7
189.16405	8.0
191.07066	3.6
191.10622	17.2
192.10820	2.0
193.12164	3.8
199.14720	3.5
201.09087	8.2
201.16373	5.6
201.74033	1.9
203.03198	2.5
203.06944	4.7
203.17967	6.0
204.07846	2.3
205.08542	10.5
205.12187	3.2
209.11726	2.6
213.12756	2.1
213.16318	4.7
217.08475	3.0
217.19611	2.6
219.10139	66.9
219.13527	3.9
220.10506	4.2
221.11705	54.9
222.11966	3.0
223.09560	12.6
227.09135	2.9
227.14111	2.8
228.18066	2.3
229.08571	2.9
231.10138	5.7
231.13872	2.8
231.21097	2.2
233.11734	2.9
233.15335	5.3
233.22578	4.0
235.09639	7.1
237.11188	100.0
238.11520	6.7
245.15343	4.7
247.09666	3.8
247.24348	2.8
251.12801	3.8
251.43524	2.1
257.08121	5.8
257.11630	2.1
261.25711	5.6
269.08011	2.4
269.18863	2.1
273.18396	4.6
273.25845	2.1
275.12711	4.4
275.15747	2.0
287.16425	54.6
287.19800	7.5
288.16742	4.6
289.14233	6.8
303.15900	4.3
305.17484	26.8
305.20886	3.7
311.15460	2.3
315.23196	3.1
341.21033	3.2
341.32077	6.6
343.19070	3.2
343.22672	12.7
343.33481	17.6
357.20325	2.3
359.22079	45.2
360.22379	3.6
367.33670	4.6
371.22083	7.3
377.23181	11.0
378.23480	2.6
381.90997	2.3
385.34470	6.2
409.34509	3.3
411.25452	2.3
427.28632	3.8
427.35687	35.1
428.36145	3.8
445.30542	3.9
445.36691	42.3
446.37027	4.3
461.29520	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.3
53.03937	1.3
55.01858	2.2
55.05505	8.9
56.81474	0.9
57.03417	3.0
57.06829	1.3
57.07069	15.7
58.07381	1.2
59.04993	4.9
60.31526	1.0
65.03925	1.7
66.04700	1.0
67.05490	18.5
68.99759	1.7
69.03416	4.8
69.07059	50.5
69.75286	4.7
69.75719	3.5
70.07385	1.8
71.04982	9.0
71.75005	1.0
79.05483	12.9
81.03423	1.5
81.07038	24.5
82.07362	1.1
83.01313	4.9
83.04974	4.6
83.08620	5.5
85.06544	7.0
91.05471	12.2
93.07034	33.0
95.04945	8.5
95.08590	18.4
97.06493	4.6
97.10151	3.3
98.20694	2.2
105.03378	22.0
105.04491	1.3
105.07020	16.2
106.03690	1.4
106.07324	1.2
107.04948	2.1
107.08582	26.5
108.08907	1.7
109.06505	5.5
109.10136	11.9
110.10470	1.3
111.04417	1.4
111.08097	1.1
111.11708	1.5
113.05992	3.4
117.06982	3.7
119.08575	8.6
121.02829	2.1
121.06496	6.8
121.10118	19.8
123.03521	1.2
123.04392	2.0
123.07201	0.9
123.08067	5.9
123.11681	10.2
125.05950	2.2
125.09587	1.4
125.17326	1.1
127.03910	1.8
127.07507	2.6
129.06969	2.2
131.08546	6.9
133.10121	11.6
135.04414	1.2
135.08073	5.6
135.11670	27.6
136.12036	2.5
137.05956	3.1
137.09633	5.1
139.11143	1.9
141.05388	1.3
142.07730	2.1
143.08569	2.7
145.06436	1.2
145.10112	9.4
147.04411	1.4
147.08035	2.7
147.11699	3.8
149.05934	2.8
149.09627	6.5
149.13264	5.8
151.07503	2.8
151.11192	1.2
152.11691	1.0
153.05460	13.8
153.06720	1.7
155.08540	1.9
157.10158	4.3
159.08000	4.4
159.11630	4.5
161.05931	3.3
161.09610	3.7
161.13213	1.9
161.32663	1.1
162.06749	2.3
163.07498	7.1
163.11165	8.6
165.05455	37.7
165.09100	3.5
167.07033	1.8
169.04922	5.2
169.10121	2.4
170.05344	1.8
171.05304	1.2
171.07967	1.9
171.11641	1.6
173.09618	11.1
174.09961	2.6
175.07510	4.6
175.11223	6.4
176.08264	1.5
176.11528	1.3
177.05464	7.4
177.09093	13.1
177.12718	3.1
179.03375	9.4
179.07004	17.3
179.10703	1.3
181.08781	1.1
183.06538	1.7
185.09586	1.5
185.13202	1.6
187.07506	1.5
187.11130	1.3
189.05394	1.4
189.09143	3.3
191.03255	1.5
191.07021	7.4
191.10674	8.2
193.04903	1.5
193.08617	2.3
195.06502	1.7
195.13727	2.5
197.04483	6.0
199.11072	1.3
201.09093	6.2
201.12750	1.6
203.06982	7.4
203.10605	4.4
204.07730	1.6
205.08542	17.2
205.12172	2.2
207.06569	1.7
207.10136	3.4
209.11589	1.2
209.13350	1.3
211.05904	6.2
211.11107	1.2
215.07030	2.1
215.10658	3.4
215.14313	1.7
217.08534	3.9
217.12163	2.3
218.09079	1.5
219.06555	4.1
219.10132	43.6
220.10413	3.7
221.08054	2.4
221.11703	26.5
223.09564	14.1
223.11426	1.1
225.11142	1.6
227.10628	1.3
229.08548	11.1
229.12160	2.2
231.10095	15.0
233.11659	11.5
235.09639	4.6
235.13242	2.9
237.11168	49.0
238.11505	2.2
239.08887	1.2
239.14214	1.2
243.10010	2.4
243.13995	1.7
245.07961	1.6
245.11737	3.4
247.09680	3.9
247.13240	2.6
249.11189	3.5
251.12778	11.5
255.13771	2.0
255.21246	1.2
257.07999	10.5
257.11713	7.8
259.13327	5.5
261.11108	2.4
261.14893	2.6
263.12701	1.2
265.12155	2.3
267.13754	1.4
269.08102	1.2
269.11530	2.1
269.15210	1.3
271.13220	3.0
273.11197	2.2
273.14847	2.8
275.12738	16.5
275.15897	1.6
283.09830	1.1
283.13150	2.0
285.14780	8.3
287.16376	85.0
288.16721	3.2
289.14304	20.8
291.15823	1.3
293.17245	1.2
299.12778	1.4
299.16290	1.4
301.14230	2.9
303.15894	9.1
304.16269	1.3
305.17432	20.5
319.15475	1.6
325.17972	4.0
337.18100	1.1
339.12051	1.1
339.19293	1.7
341.17392	2.4
341.21021	8.0
343.18927	13.9
343.22635	9.2
345.20422	1.6
357.20605	5.4
359.22119	100.0
360.22504	4.5
361.19733	1.5
371.22052	7.7
375.21698	3.1
377.17648	9.4
377.23138	11.8
383.25674	2.5
389.22934	2.2
393.24051	2.2
395.18860	6.6
401.26663	1.3
409.23178	2.2
411.25208	14.2
427.23697	3.1
427.28323	3.7
429.26205	2.5
445.24219	8.0
445.29602	4.0
463.24252	4.8
463.30316	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.8
55.01859	1.8
55.05512	7.2
57.07068	12.4
65.03902	1.8
67.05499	12.7
69.03413	2.8
69.07060	37.5
69.25448	1.3
71.04977	3.5
71.49368	1.6
71.49722	2.6
79.05468	7.7
81.07048	15.8
83.01324	3.0
83.04951	2.5
83.08629	1.5
85.06537	5.4
91.05490	7.6
93.07032	22.6
95.04957	3.7
95.08591	10.0
97.06530	1.9
97.10097	1.5
105.03363	9.3
105.07021	7.0
107.08585	18.7
109.06499	4.4
109.10145	10.7
110.10378	1.3
117.07020	1.7
119.08574	4.4
121.06498	3.9
121.10144	9.7
123.08108	2.6
123.11703	7.3
127.07555	1.7
131.08578	3.3
133.10120	6.2
135.08073	5.4
135.09213	1.2
135.11687	20.3
137.06018	3.4
137.09563	3.1
141.05515	2.1
143.08527	3.0
145.10132	4.9
147.08061	2.0
147.11682	1.9
149.05876	1.6
149.09613	4.1
149.13251	3.8
151.07523	2.1
152.12862	1.9
153.05486	11.5
157.10104	1.6
159.08006	2.2
159.11700	4.2
161.09547	2.1
163.07533	4.6
163.11212	4.7
165.05466	31.3
166.05809	1.5
169.04990	3.8
173.09581	3.6
175.07550	2.9
175.11133	2.7
177.05498	4.9
177.09099	8.2
177.12808	1.8
179.03415	3.0
179.07048	22.3
185.09709	1.7
187.07692	1.5
189.09013	2.7
191.07068	5.8
191.10725	5.1
195.06604	1.7
197.04459	1.6
201.09079	3.8
203.07019	7.1
203.10777	1.8
204.07808	2.8
205.08582	17.2
207.10164	3.1
209.11783	2.5
215.10680	2.8
217.08484	2.6
219.06639	3.0
219.10153	31.7
220.10510	3.3
221.11768	7.4
223.09682	8.5
229.08563	2.4
229.12309	2.4
231.10158	13.2
233.11710	12.8
235.09628	2.9
237.11214	28.2
238.11642	2.4
243.10153	5.5
244.48630	1.5
245.11687	2.0
249.11176	2.7
251.12767	14.1
255.13911	2.0
255.20937	1.6
257.08167	3.2
257.11679	6.3
259.13269	4.5
261.11124	2.2
261.14700	1.7
273.14941	1.8
275.12766	16.2
275.16379	4.9
283.13428	2.4
285.14832	9.1
287.16373	85.6
288.16782	4.0
289.14313	5.7
291.15970	1.7
301.14346	3.4
303.15808	11.7
304.16165	1.5
305.14044	2.2
305.17450	15.5
319.15259	4.4
325.17847	2.6
339.19519	1.9
341.17444	2.3
341.21057	5.7
343.18988	9.3
343.22589	8.1
357.20575	4.4
359.22144	100.0
360.22437	7.1
371.22058	8.7
375.21448	4.1
377.18918	2.8
377.23203	11.2
389.22983	1.5
393.22668	1.8
395.18845	3.6
411.25189	3.8
427.24551	2.3
428.25403	1.6
445.24857	3.2
445.29251	5.9
463.25482	2.3
463.31058	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
54.07182	1.4
55.01857	6.5
55.05507	23.1
57.03429	7.8
57.07061	4.9
65.03928	2.8
67.05496	87.3
69.03423	1.9
69.07059	36.1
70.13002	7.6
71.01353	3.0
71.04994	8.8
71.81618	1.3
79.05486	58.6
80.47198	1.3
81.03419	7.6
81.07047	100.0
82.07349	1.7
83.01333	2.2
83.04964	12.8
83.08607	19.0
85.06554	8.2
91.05466	36.5
91.73031	1.6
93.07032	94.6
94.07356	1.4
95.04967	14.7
95.08593	32.3
97.06519	18.2
97.10146	5.1
98.21411	2.3
99.08071	3.8
105.03389	34.8
105.04484	2.1
105.07003	20.6
107.04940	6.0
107.08585	56.8
109.06498	7.8
109.10150	9.2
111.04479	2.2
111.08070	11.4
113.05982	2.3
117.06999	14.2
119.08569	10.1
121.06504	6.2
121.10130	43.5
123.08124	2.9
123.11696	4.8
125.05975	1.9
125.09619	2.3
129.03369	2.7
129.06996	2.4
131.08565	11.6
133.10106	18.3
135.08058	5.8
135.11670	29.8
137.05978	1.9
137.09636	2.4
139.11095	1.5
143.08534	2.5
145.10144	8.9
147.11699	5.1
149.09579	4.2
149.13237	48.9
151.03900	3.5
153.12735	2.9
157.10121	1.8
159.11693	19.8
163.11134	9.2
165.05499	5.4
167.14444	1.9
169.05058	3.1
170.05156	1.9
173.09584	4.0
175.11153	3.4
177.05431	2.1
177.12732	9.8
178.81105	1.4
179.03378	38.0
181.12225	3.6
194.10770	1.8
195.13812	19.9
196.07460	1.7
197.04416	19.1
201.09119	2.1
205.08488	2.0
213.12877	1.8
213.14882	4.1
219.10245	2.7
219.13705	2.3
221.08058	3.0
221.11700	4.6
227.12735	3.9
235.09631	2.2
257.08044	49.4
258.08426	1.8
271.13467	1.5
275.09161	1.9
281.11597	2.0
283.09528	3.5
285.14828	1.9
287.16446	2.4
299.13013	1.5
321.11227	1.6
323.15320	2.5
325.14420	4.5
335.12750	2.0
341.13812	8.1
357.20612	2.5
359.16269	2.6
375.21704	1.5
377.17358	42.3
378.17651	3.4
391.22888	2.6
395.18378	24.4
396.18936	2.1
409.23193	3.0
427.24368	5.5
445.25430	8.1
463.31003	94.6
464.25287	2.1
464.31406	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
57.03424	1.7
57.07072	7.4
67.05496	2.4
69.03435	1.1
69.07061	23.2
70.49110	0.8
70.81290	3.2
71.04960	0.9
79.05475	2.2
80.78851	1.0
81.07027	4.3
81.76542	0.8
83.01331	1.6
85.06530	2.1
88.34544	0.8
91.05458	1.9
93.07049	9.2
95.08588	2.3
98.20681	0.9
105.06998	1.2
107.08572	6.5
109.06472	1.6
109.10133	3.1
116.09096	0.9
119.08508	1.0
121.06473	2.0
123.11697	3.4
123.86259	1.0
131.08624	1.2
135.08043	1.4
135.11693	10.0
137.05940	2.1
141.91873	1.0
149.09570	2.5
153.05450	6.7
153.12805	1.2
163.07518	3.3
165.05467	22.4
167.06960	0.9
173.09702	1.4
175.07532	1.4
176.08273	1.1
177.05479	1.2
177.09071	3.6
179.07013	20.5
191.07042	3.4
191.10614	3.3
201.09032	2.1
203.07083	4.4
204.07735	1.5
205.08627	5.6
205.12302	1.6
206.09164	1.1
207.10124	2.2
215.10637	1.3
219.06715	1.1
219.10155	28.1
220.10335	1.0
221.11710	6.9
225.11244	2.0
231.10181	8.5
233.11725	10.4
237.11186	31.8
238.56984	1.1
242.09268	1.0
243.10236	1.4
245.11722	1.2
251.12776	14.2
252.13115	1.2
257.11703	4.8
259.09790	1.0
259.13187	2.8
275.12738	9.6
275.15970	1.5
285.14798	5.2
287.16376	85.5
288.16733	4.9
293.17441	1.2
303.15829	8.4
305.17407	9.8
341.20975	5.7
343.22629	7.3
357.20435	1.6
359.22131	100.0
360.22458	6.2
371.22128	10.7
375.21652	1.1
377.23224	9.2
378.23425	1.2
378.49121	1.0
389.23038	1.0
427.28500	5.3
445.29834	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03946	0.4
55.01866	0.7
57.03424	3.3
57.07070	7.9
59.45979	0.4
61.57806	0.4
65.03941	0.6
66.89314	0.5
67.05488	1.8
69.03412	0.4
69.07059	17.0
70.10059	1.6
79.05493	1.0
79.22551	0.5
81.07040	4.6
83.01321	3.4
85.06528	1.1
85.85775	0.4
86.09814	0.4
91.05460	2.1
93.07032	3.7
95.04910	0.4
95.08583	1.4
105.07011	1.2
107.04916	0.4
107.08579	5.6
109.02879	1.2
109.06480	2.6
109.10149	1.3
117.06995	0.8
119.08589	0.6
121.06484	0.9
121.10121	1.0
123.11693	18.5
125.05977	0.5
127.03849	1.1
131.08546	0.8
135.08057	4.1
135.11678	7.6
137.05986	3.3
139.03856	0.9
139.72755	0.5
145.10092	2.0
147.07993	0.6
149.05942	1.4
149.09564	2.7
153.05443	6.5
155.08549	1.0
159.08035	0.7
161.05948	0.8
162.06734	1.7
163.03807	0.5
163.07524	6.5
163.11189	2.0
165.05458	100.0
167.07063	0.6
173.09625	3.6
175.07585	0.7
176.08292	1.6
177.05441	1.3
177.09081	14.4
179.07053	1.1
184.78777	0.4
185.99617	0.4
189.05470	0.8
190.06218	1.2
191.07182	0.8
191.10649	8.5
201.09070	5.0
203.07031	0.6
203.10742	0.5
204.07774	1.2
205.08507	1.1
217.08588	1.7
219.10138	72.8
220.10513	0.8
221.11699	55.9
225.11122	1.3
231.10132	0.7
235.09608	1.0
237.11185	94.7
238.11546	1.0
245.11789	0.6
247.13278	0.6
257.11407	0.4
269.15424	0.7
275.16418	1.1
285.14755	0.4
287.16376	32.3
305.17438	25.4
323.18445	1.4
323.28864	0.4
325.21643	0.7
341.21356	0.8
343.22617	10.2
357.20523	1.6
359.22122	26.2
371.22070	5.5
375.21609	0.7
377.23199	11.4
389.23233	1.4
427.28387	4.5
445.29251	1.0
463.30692	0.7
475.89230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06999	0.6
57.07070	4.2
61.21300	0.7
63.75805	0.8
67.05496	1.5
69.06739	1.0
69.07066	14.9
69.56963	7.1
79.05476	1.3
81.03410	0.7
81.07047	4.7
83.01323	2.6
85.06499	0.9
91.05465	2.2
93.07040	3.3
95.08578	1.9
107.08607	3.9
109.02872	1.5
109.06527	2.1
109.10127	1.4
121.06456	1.5
121.10135	0.8
123.10863	1.3
123.11692	16.1
127.03914	1.5
135.08032	2.5
135.11673	5.9
137.05946	3.9
145.10094	2.1
149.05977	1.0
149.09570	1.2
153.05452	6.9
155.75233	0.7
163.07524	2.3
163.11148	1.6
165.05463	82.0
173.09630	1.6
175.03893	0.7
175.07350	0.9
177.05464	13.2
177.09074	11.1
179.07024	1.7
181.04938	1.3
191.10693	3.3
195.06488	1.0
201.09106	2.9
203.06969	1.2
204.07860	3.8
204.09496	0.7
205.08688	0.8
219.10144	51.6
221.11708	45.5
222.12022	0.8
225.11087	1.0
231.10168	1.3
233.11777	0.9
235.09633	1.0
237.11191	100.0
251.12668	1.1
259.13223	0.9
275.12817	1.0
287.16391	32.7
288.16608	0.8
302.43344	0.7
303.15918	1.0
305.17429	23.4
322.04919	0.7
323.18555	0.8
343.22717	8.6
357.20752	1.1
359.22134	30.7
360.22336	1.0
371.22101	4.9
375.21600	0.9
377.23175	15.6
389.23065	1.2
421.50610	0.8
427.28403	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.0
67.05484	2.0
69.07057	16.2
70.83927	2.9
73.06553	13.2
75.62568	0.9
79.05488	2.3
81.07048	5.0
83.01328	3.1
91.05489	3.1
93.07038	6.2
95.08611	1.4
105.03401	4.0
105.06997	1.0
105.53837	0.8
107.08572	7.7
109.02885	1.1
109.06509	1.9
109.10155	2.5
109.68301	0.9
114.80510	0.8
121.06502	2.4
123.11696	24.0
127.03912	0.9
131.08501	1.4
135.08060	3.0
135.11679	16.5
137.05975	2.6
149.09633	4.1
153.05470	6.9
159.08047	4.2
162.06702	4.5
163.07556	7.5
165.05461	64.7
166.05821	1.5
177.09091	14.3
179.07039	1.0
185.04292	0.7
187.07507	4.0
193.08586	1.4
203.07057	1.5
205.08592	65.8
206.08984	1.5
211.09618	3.3
219.10164	3.7
221.08318	1.5
221.11707	36.1
222.12004	0.9
223.09631	100.0
224.09972	2.5
237.11188	2.9
240.54123	1.1
248.07906	1.1
259.33209	0.9
261.11346	1.0
279.15860	4.3
287.16391	45.9
291.15897	11.6
305.17548	3.9
319.19446	0.8
327.19461	1.9
337.20059	1.2
343.18997	1.4
343.22659	8.4
345.20575	62.2
346.21207	2.1
357.20514	12.1
359.22131	1.3
363.21524	3.9
375.21484	1.2
413.26730	6.7
431.27536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.03431	1.3
57.07063	6.1
57.46435	1.0
67.05502	1.5
68.24372	0.7
69.06701	1.5
69.07056	24.6
70.01099	3.2
70.01523	2.3
77.57234	0.7
79.05469	1.2
81.07040	2.0
83.01359	1.2
85.06528	1.5
91.23510	0.8
93.07040	7.9
95.04956	1.0
95.08566	1.1
98.21426	1.0
107.08579	5.3
109.06539	1.0
109.10119	2.0
110.14437	0.7
121.06459	1.2
123.11706	1.7
127.07470	0.9
135.11658	7.8
137.05960	1.3
141.05383	1.1
148.05399	0.9
149.09676	0.9
153.05453	7.9
161.81128	0.8
163.07571	1.4
165.05437	15.8
166.82170	0.9
177.09076	1.9
179.07036	12.9
189.09102	1.2
191.07001	2.5
191.10657	2.3
193.08458	1.0
201.09155	1.1
203.06898	4.7
204.07745	1.2
205.08597	7.5
205.12193	1.6
206.09377	1.7
207.10164	2.2
209.11732	1.1
217.08551	1.3
219.06491	2.6
219.10114	16.5
221.11731	2.7
225.11115	2.0
231.10081	8.4
233.11642	8.3
237.11174	15.5
242.47156	0.9
243.10168	0.9
245.11812	1.3
247.35698	0.8
251.12746	11.2
257.11685	6.6
259.13235	5.1
275.12726	14.5
275.16360	2.9
279.16098	1.0
285.14777	4.5
287.16376	90.2
288.16605	2.1
293.17313	1.1
303.15872	7.6
305.17404	14.6
341.21011	8.1
343.22577	8.4
357.20602	0.9
359.22125	100.0
360.22418	2.9
371.22244	6.3
375.21667	1.4
377.23233	6.4
389.23245	1.7
393.00644	0.9
427.28357	3.6
445.29349	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
67.05492	1.1
69.07055	14.2
69.78537	3.3
71.04996	0.6
72.90057	0.4
73.06536	2.0
79.05479	1.3
81.07050	2.4
83.01324	3.1
91.05465	0.9
93.07037	3.9
95.08576	0.7
95.86298	0.4
107.08582	4.4
109.02857	0.9
109.06489	0.8
109.10139	1.3
119.08576	0.7
121.06503	2.5
121.10098	1.4
123.10789	0.9
123.11694	16.4
127.03849	0.7
131.08545	1.4
133.10126	0.7
135.08035	3.5
135.11676	8.2
137.05960	1.9
142.27779	0.5
149.05988	0.8
149.09630	2.8
153.05434	4.5
159.08037	3.5
161.05959	1.0
161.09581	0.7
162.06721	4.0
163.07513	7.3
165.05455	65.0
166.05740	1.3
177.09094	12.5
187.07555	4.2
191.10779	0.5
193.08650	1.4
203.07028	1.7
204.07867	0.5
205.08574	66.2
206.08865	0.8
211.09709	2.4
219.10175	1.3
221.11703	33.6
222.12100	1.1
223.09624	100.0
224.09982	2.7
231.10199	0.6
237.11232	0.7
243.10233	0.6
269.15149	0.6
275.16431	0.6
287.16382	26.0
288.16681	1.3
291.15891	13.1
292.16217	1.0
305.17416	3.7
319.19019	2.7
327.19446	1.1
337.20084	1.0
343.18887	1.4
343.22653	2.8
345.20569	34.6
346.20874	1.6
357.20581	6.2
363.21536	3.2
375.21304	1.1
377.23203	4.2
389.23291	0.7
413.26666	5.0
431.27884	1.0
463.30359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3045
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.83506	0.8
55.74781	1.1
57.03427	1.8
57.07069	10.4
58.33801	0.8
67.05485	1.5
69.07059	20.3
69.93871	0.9
69.99155	4.8
69.99567	2.3
79.05486	3.5
81.07037	3.8
83.01332	3.5
85.06525	2.0
91.05441	2.1
93.07013	8.0
95.08581	3.4
98.21386	1.4
107.08591	8.4
109.06491	2.2
109.10139	2.6
111.11760	1.2
121.10199	1.3
123.11689	25.4
131.59587	0.9
131.92442	1.0
135.08000	3.4
135.11679	16.0
137.05991	3.5
139.03886	0.9
145.10075	2.0
145.29201	1.0
149.09656	1.7
153.05449	8.0
162.06761	1.5
163.07526	3.8
163.11180	1.6
165.05457	88.6
166.05783	1.1
167.07039	1.7
173.09572	1.6
176.08295	2.7
177.05399	2.0
177.09106	11.7
179.06989	1.5
191.06964	2.4
191.10646	6.5
201.09056	4.5
203.06921	1.8
205.08569	0.9
207.10168	1.7
217.08575	2.6
219.10136	71.0
221.11703	54.0
222.12085	1.5
225.11201	4.4
237.11186	100.0
238.11601	1.6
247.13287	5.8
264.33356	1.0
275.16373	2.4
287.16379	56.1
288.16656	2.2
293.17432	3.0
305.17447	21.7
319.18875	0.9
330.02252	0.9
341.21063	2.8
343.22629	14.6
357.20651	3.2
359.22131	50.3
360.22519	2.6
371.22131	9.7
377.23114	5.4
384.10971	1.0
389.23270	2.0
393.74805	1.0
427.28491	5.4
463.30478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
57.07068	9.9
69.07057	23.3
69.96925	11.5
79.05482	2.1
81.07033	5.5
83.01312	2.6
85.06548	2.5
93.07008	8.0
105.03391	3.0
107.08570	12.8
109.06520	3.3
109.10143	1.7
111.79490	1.8
123.11691	42.9
135.08020	3.3
135.11668	21.7
137.05962	4.0
153.05435	7.4
163.07576	5.2
163.11252	2.3
165.05455	94.4
166.05673	1.9
176.08214	2.3
177.09106	8.7
179.03429	2.6
179.06902	1.7
191.10658	6.7
201.09061	3.7
219.10133	70.3
221.11697	52.5
225.11272	5.1
233.11954	1.9
237.11179	100.0
238.11574	2.0
273.07581	2.9
287.16370	65.9
305.17429	22.1
343.22470	7.9
357.20367	3.3
359.22104	49.8
371.22116	10.8
377.23160	6.9
427.28333	5.1
456.66153	2.1
484.28638	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Verbacine
Peak:m/z	Relative Intensity
55.05486	1.5
57.07062	3.6
58.54810	0.9
67.05496	2.3
69.03413	1.7
69.07060	28.3
70.36309	3.8
70.36649	1.1
79.05461	1.9
81.07046	1.9
83.01324	1.9
83.08607	0.9
85.06541	2.1
91.05480	2.6
93.07040	8.8
94.66750	1.0
95.08603	1.4
105.07019	2.6
107.08570	5.7
109.06536	1.5
109.10126	3.1
121.06505	1.2
121.10141	1.8
123.11706	2.9
135.08040	1.6
135.11665	7.4
137.05984	1.7
139.03860	0.9
141.05530	1.4
145.06458	0.9
145.10086	0.8
147.08020	0.8
149.01746	0.8
153.05479	7.7
163.07553	2.2
165.05455	23.5
166.94917	1.0
167.07010	1.3
169.04933	1.9
177.05504	4.1
177.09131	3.6
177.12709	1.1
179.03485	1.3
179.07010	19.7
181.05005	1.2
189.22752	0.9
191.07042	6.0
191.10632	1.1
192.07880	1.5
195.06480	1.1
201.09131	1.8
203.06963	6.6
204.07791	1.5
205.08551	8.2
207.10277	1.0
209.11771	1.2
209.54633	0.9
215.07039	2.4
215.10594	1.6
216.07755	0.9
217.08705	1.2
219.06683	6.4
219.10146	20.7
221.11688	4.9
223.09625	2.2
225.11174	2.5
231.10170	11.5
233.11743	9.7
237.11179	26.7
242.09306	2.5
243.10156	2.8
247.13246	1.1
251.12767	16.1
257.11737	7.8
259.13245	5.0
261.11395	1.4
275.12781	18.3
275.16315	2.8
285.14719	5.2
287.16394	74.3
288.16815	1.9
301.14487	1.9
303.15848	12.3
305.17456	13.9
341.21109	3.1
343.18909	3.2
343.22690	7.8
357.20663	1.4
359.22137	100.0
360.22501	2.2
371.22116	4.0
377.23218	7.2
389.23080	1.1
427.28271	3.4
445.29224	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.3
57.03428	2.1
57.07067	8.8
59.04989	5.3
67.05499	9.8
69.03410	2.1
69.07049	31.5
71.05000	7.6
76.05384	1.9
79.05487	4.7
80.30215	1.9
81.07045	13.2
82.98706	2.0
83.01329	7.2
83.08619	2.7
85.06531	3.1
91.05479	4.9
93.07036	12.3
95.04954	4.3
95.08617	11.9
105.03384	4.5
105.06984	10.9
107.04942	2.5
107.08583	16.7
109.02850	3.0
109.06506	5.4
109.10172	10.7
117.06948	3.2
119.08579	5.7
121.06443	3.2
121.10142	15.6
122.21746	1.9
123.08052	5.8
123.11694	24.8
127.03920	2.2
129.06967	2.9
131.08554	2.9
133.10114	6.5
135.04399	2.8
135.08037	7.6
135.11665	15.2
137.05995	3.6
137.09631	3.5
139.07492	1.8
142.07730	4.3
143.08580	2.0
145.10109	5.8
147.08028	2.2
149.09605	5.4
153.05417	8.8
157.10121	5.0
159.07994	3.5
161.05963	2.4
161.09601	2.2
162.17137	1.7
163.07556	7.4
163.11131	3.6
165.05455	100.0
173.09581	9.8
175.11182	3.4
176.08324	3.0
177.05443	14.5
177.09077	20.8
179.03442	3.9
179.07094	4.0
185.09691	3.1
187.07539	3.8
189.09108	2.4
191.07007	3.5
191.10643	10.2
193.05005	2.3
195.10165	2.5
201.09050	9.3
203.07068	3.6
205.08569	19.3
211.05907	13.4
215.06908	2.9
217.08662	4.2
217.12091	2.2
219.08003	4.2
219.10135	80.4
221.11702	58.3
223.09579	23.6
229.08545	16.6
231.10088	12.4
233.08116	2.8
235.09552	3.9
235.13342	2.9
237.11171	85.7
243.10181	4.3
243.13651	3.3
245.11722	2.6
247.09610	10.8
247.13326	2.3
261.14801	3.2
271.13318	6.3
285.14877	6.1
287.16345	51.0
289.14267	39.5
291.15808	3.1
301.14343	2.9
303.15973	3.6
305.17426	26.7
319.15524	3.2
341.17346	2.2
341.21103	4.5
343.18805	6.1
343.22711	12.4
345.20654	7.7
357.20493	5.1
359.18246	3.7
359.22186	37.9
360.22577	2.4
371.22067	8.5
377.19092	2.5
377.23224	14.1
383.25787	5.2
411.25259	26.7
427.28290	6.3
429.26208	4.7
445.25208	8.9
463.26682	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2684
Annotation	Neovibsanin D
Peak:m/z	Relative Intensity
55.05498	6.7
55.65933	1.7
57.07064	8.5
67.05508	10.4
69.03414	2.0
69.07062	45.0
69.76127	13.0
71.04980	4.4
72.02703	1.9
79.05482	6.2
81.07042	9.0
83.01342	4.6
85.06528	5.7
91.05473	7.5
93.06613	1.6
93.07041	17.7
95.04940	2.4
95.08594	8.9
97.10151	3.2
98.21449	2.8
105.03376	10.1
105.07015	8.2
105.79317	1.7
106.26308	1.9
107.08572	15.3
109.06527	3.7
109.10152	8.9
111.08062	2.5
119.08584	3.5
121.06510	5.2
121.10152	19.4
123.08029	4.3
123.11688	4.4
129.71948	2.0
131.08585	3.4
133.10098	15.5
135.08035	5.3
135.11687	13.2
137.05943	4.4
145.10106	5.2
145.54195	2.0
149.09621	3.6
153.05482	11.7
159.08022	3.1
161.09608	3.1
163.07555	7.1
165.05467	51.3
167.07028	2.8
167.10674	7.6
171.08054	1.8
173.09647	5.8
175.07635	2.4
175.11118	2.4
177.05498	8.7
177.09111	13.5
179.07037	28.9
181.08643	2.1
189.09210	3.0
191.07060	8.8
191.10696	3.6
195.06557	2.1
196.96120	1.6
201.09132	3.8
201.12683	2.2
203.07042	5.7
203.10695	2.7
204.07806	2.7
205.08574	33.3
205.12163	2.5
213.09247	2.4
215.10654	1.9
217.08475	2.2
219.06761	3.4
219.10130	33.2
219.12161	2.4
221.08195	2.6
221.11719	18.3
223.06042	2.2
223.09624	38.4
225.11162	2.9
231.10114	18.6
232.71265	2.1
233.11684	20.4
237.11195	48.2
243.10036	3.4
243.13893	2.0
249.11172	2.9
251.12772	33.0
257.11661	7.8
257.14789	1.9
258.47525	2.0
267.13791	3.0
275.12811	13.4
285.14795	15.6
287.16388	90.8
289.14243	4.2
291.15939	6.0
303.15878	23.6
305.17462	33.1
341.17291	2.5
341.21075	5.7
343.18979	9.5
343.22678	4.7
355.19180	2.5
357.20590	2.7
359.22147	91.3
371.22141	7.8
377.18515	5.2
377.23196	100.0
389.22644	2.6
463.26447	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	463.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52724	2.3
53.03940	3.9
55.05499	5.5
57.07074	11.5
60.93431	2.2
67.05502	13.0
69.03418	5.1
69.07063	59.1
69.88866	2.2
69.97023	15.2
71.04973	3.3
72.82299	2.3
79.05479	8.2
81.07056	11.8
83.01336	8.8
85.06537	6.1
91.05464	10.2
93.07031	23.0
95.04971	6.3
95.08587	11.5
97.10142	2.8
103.31780	2.4
105.03383	26.0
105.07041	17.8
107.08588	19.3
109.06499	8.4
109.10146	8.7
117.06989	3.5
119.08572	6.0
121.06523	6.3
121.10145	39.2
121.96126	2.1
123.08031	7.3
123.11664	7.0
131.08542	7.0
133.10123	27.9
135.08028	7.3
135.11697	16.5
137.05945	6.0
137.09544	2.6
139.03864	5.3
143.08542	2.5
145.10139	6.8
149.05931	2.8
149.09622	4.4
153.05435	14.6
159.08012	5.7
162.06734	3.6
163.07545	13.5
165.05455	82.1
165.09172	2.9
167.10689	8.6
171.08047	3.2
173.09625	5.6
175.11110	2.6
177.05486	8.5
177.09120	18.2
177.12755	3.6
179.07021	26.4
183.02174	2.3
187.07471	2.9
191.07031	10.2
191.10678	5.9
203.07034	9.6
203.10558	2.8
205.08588	60.1
205.12076	3.0
213.09180	3.3
215.10677	4.2
217.08679	2.8
219.06638	3.9
219.10143	45.9
221.08174	4.2
221.11699	47.5
223.09636	78.1
229.12361	2.8
231.10233	14.5
233.11748	19.2
237.11211	46.9
239.09076	5.3
243.10333	2.3
245.11858	2.7
247.13364	4.3
251.12750	30.9
257.11749	8.5
259.09784	2.5
259.13284	2.8
267.13840	5.5
275.12659	12.1
285.14850	30.9
287.13120	5.0
287.16388	100.0
287.42548	2.6
289.14249	6.6
291.15915	17.3
299.16367	3.2
301.14569	2.6
303.15839	20.0
305.17395	25.7
310.31644	2.8
317.13623	3.4
325.17725	3.8
341.17596	5.5
341.21078	13.3
343.18945	17.2
343.22784	6.3
355.19077	5.1
357.20578	5.0
359.18320	7.3
359.22168	86.1
361.19864	3.8
368.07614	2.7
371.22104	5.9
375.21490	3.2
377.23245	78.8
381.30817	2.6
411.25491	3.5
427.28720	4.1
429.26456	2.9
445.24930	5.2
463.26025	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	463.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57795	3.5
54.04620	3.3
55.01857	4.2
55.05495	18.1
57.07056	13.3
67.05496	43.9
69.03413	5.7
69.07051	37.5
70.95681	7.9
70.96038	10.7
71.04983	16.6
75.85968	3.6
79.05486	37.9
81.03407	8.2
81.07052	59.2
83.04966	13.4
83.08614	6.9
85.06520	11.5
90.14332	4.1
91.05466	32.6
92.05846	3.8
93.07040	63.5
95.04963	19.3
95.08602	35.5
97.06519	11.6
104.05851	3.6
105.03336	5.8
105.07030	31.8
105.15838	4.0
107.04958	4.8
107.08589	41.5
109.06503	8.7
109.10126	16.5
113.05990	14.5
113.62238	3.8
117.07024	9.5
119.08552	21.5
120.08828	3.9
121.06465	11.8
121.10115	49.7
123.04460	7.0
123.08060	13.6
123.11687	9.0
125.05975	4.9
127.07502	5.0
129.06978	7.0
131.08562	17.7
133.10120	47.3
134.52156	3.5
135.08072	12.8
135.11703	28.2
137.05956	9.0
137.09567	7.7
143.08519	8.0
145.10089	19.7
147.08003	9.2
147.11682	9.3
149.09598	4.0
149.13255	9.3
151.03894	12.6
151.07466	6.7
153.05418	4.3
155.08537	6.3
157.10139	13.9
159.11678	16.0
161.09581	6.7
163.07552	6.6
163.11163	14.4
165.05420	4.7
165.09151	7.0
169.04991	7.6
169.10106	5.0
171.11719	6.6
173.09592	7.4
175.07588	8.8
175.11211	17.5
177.09053	4.6
177.12729	9.8
183.11678	5.2
185.13245	5.8
187.11177	5.2
191.07001	9.1
191.10631	4.6
193.08501	9.4
195.13765	5.8
197.13284	11.5
201.08965	5.6
201.12740	4.6
203.10614	5.2
205.08549	6.2
207.10033	5.5
209.08041	8.0
213.12749	8.1
215.14328	11.7
217.08437	7.3
219.10149	8.7
221.08070	6.8
225.12796	9.2
229.12144	8.3
231.10184	8.8
235.09525	6.4
239.09027	8.0
243.13795	47.8
243.20998	4.7
245.11777	4.2
249.07547	5.3
253.10547	6.9
253.19640	5.6
261.14960	5.3
269.11768	4.3
271.13345	9.5
271.20535	13.4
273.14917	5.0
287.12738	11.3
289.14264	26.8
297.18335	4.4
299.20123	15.2
305.13837	12.1
311.20068	9.3
313.17990	4.4
315.19476	8.1
317.21033	33.9
319.64404	4.1
321.18585	6.6
323.14877	36.3
325.17862	9.9
329.21048	5.1
335.22253	7.5
339.19522	10.2
341.17389	7.8
343.18967	8.2
357.20493	23.0
359.18533	100.0
359.22964	6.2
375.21487	18.4
377.19193	5.4
391.22684	5.4
409.23703	20.5
427.24521	31.6
445.25632	64.3
463.26740	25.4
463.30298	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2684
Annotation	Incisagenin
Peak:m/z	Relative Intensity
50.26452	1.7
51.50406	2.2
53.03908	3.4
55.01856	2.8
55.05498	8.1
57.03431	2.4
57.07067	34.9
64.58302	2.4
65.03918	2.7
67.05500	18.9
68.99792	2.2
69.03411	2.6
69.07069	9.7
69.68078	18.2
71.04979	10.4
79.05473	10.5
81.07039	15.7
83.04977	10.3
83.08598	2.6
85.06532	7.8
91.05460	16.4
93.07025	34.9
93.70229	2.0
95.04949	9.8
95.08595	10.7
97.06514	5.9
99.08048	2.9
105.03383	8.0
105.06997	16.3
107.04906	3.1
107.07897	3.9
107.08578	42.8
109.02869	2.7
109.06485	10.6
109.10126	6.3
111.08052	2.7
113.05985	19.3
117.06992	5.9
119.04927	3.3
119.08562	11.6
121.06473	4.6
121.10117	17.7
123.04404	4.4
123.08067	8.2
123.11708	2.4
127.07502	3.9
131.08502	4.2
133.06473	4.1
133.10127	13.7
135.08034	9.4
135.11671	47.5
137.05971	3.0
143.08521	5.2
145.10085	8.1
147.08023	3.2
147.11658	4.1
149.05940	3.0
149.13235	3.7
159.11644	6.5
161.05963	3.7
163.07504	5.5
163.11115	12.6
165.05490	2.5
167.07033	6.1
167.08369	2.1
169.10150	2.9
171.11652	4.8
173.09590	2.8
173.13342	2.4
175.07544	4.3
175.11211	5.8
177.12715	2.6
179.07042	2.5
181.10129	2.3
185.09586	2.7
189.09099	4.3
191.07037	9.7
193.08591	8.0
195.11626	2.6
203.06955	4.7
203.10623	4.2
205.08624	2.7
207.06441	4.3
207.10106	2.8
209.08022	11.3
209.09775	3.3
211.09608	8.9
213.12750	4.6
215.10600	4.9
217.08540	8.5
217.12370	2.1
221.08133	9.2
229.12202	3.6
231.06581	5.8
231.10097	2.9
233.11722	3.1
235.09557	6.9
241.12297	3.5
243.13661	2.4
245.11757	3.9
249.07545	5.7
255.13795	4.7
257.11758	6.4
269.11725	11.2
275.12735	3.4
279.17191	2.8
287.12729	26.6
289.14490	3.2
297.18405	8.7
299.19980	2.9
301.56241	2.1
305.13696	13.1
307.16830	3.2
309.11499	2.2
309.14868	7.3
311.14832	18.1
315.19492	4.5
323.14789	70.4
324.17355	13.7
325.17929	16.4
337.17838	3.4
338.18610	2.5
339.19482	5.8
343.18973	9.0
357.20563	7.7
361.19910	3.0
391.22592	8.1
409.23697	30.9
427.24762	73.2
445.25720	100.0
463.26718	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	463.2682
Annotation	Incisagenin
Peak:m/z	Relative Intensity
67.05512	9.5
69.07049	23.6
71.00066	14.2
71.00466	11.5
71.05006	7.0
81.07019	6.2
82.36713	5.7
83.01308	8.3
91.05460	11.6
93.07024	15.6
95.08593	20.1
96.30492	5.2
102.82274	6.1
105.06996	16.6
107.08574	21.9
121.10159	14.6
133.10120	23.3
140.18886	5.0
140.43118	5.2
145.10118	9.9
155.97591	7.3
163.11301	5.6
165.05405	6.4
169.04939	80.1
173.09602	42.9
175.11154	11.6
177.05367	9.6
195.06421	9.9
219.10107	11.0
239.09059	6.6
241.08595	19.0
243.13667	7.0
247.09668	19.8
265.12286	6.7
271.13193	26.0
283.13327	17.1
289.14349	97.2
307.15433	21.5
321.18390	9.9
339.19492	39.4
342.79971	5.7
357.20541	29.9
359.18518	100.0
365.27167	6.2
375.21597	10.7
377.19510	34.9
382.32358	6.1
427.24792	27.9
445.25766	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	463.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15310	1.2
51.33380	1.0
55.01866	2.4
55.05498	3.9
57.03407	2.0
57.07072	12.4
65.03924	1.3
66.57421	1.3
67.05496	13.6
69.03411	2.4
69.07062	6.9
69.55884	11.6
71.04980	7.8
76.19183	1.2
79.05487	6.9
81.07050	9.0
83.01315	2.6
83.04967	11.1
85.06526	4.9
91.05459	8.4
93.07034	13.3
95.04955	10.5
95.08580	6.3
97.06504	4.6
103.35126	1.0
105.03368	4.4
105.06995	6.8
107.04948	2.6
107.08563	14.2
107.14288	1.1
109.06499	4.5
109.10135	4.3
111.08059	1.0
113.05980	19.6
117.06992	4.6
119.04933	1.4
119.08575	5.0
121.06474	3.1
121.10114	8.6
123.04411	4.2
123.08038	4.6
123.11673	3.5
125.05983	1.3
129.07051	1.1
131.08539	1.8
133.10100	5.7
135.04420	1.3
135.08018	4.2
135.11650	8.9
137.02356	2.0
137.05969	2.0
137.09624	1.4
139.03809	1.3
143.08511	1.6
145.06477	2.3
145.10091	3.1
147.07996	3.1
147.11649	2.1
149.05978	1.6
149.13226	1.3
151.03854	2.9
151.07469	2.9
153.05385	1.6
159.08025	2.1
159.11684	2.9
160.12445	1.2
161.05952	2.9
161.09569	1.9
163.07506	5.2
163.11185	2.1
165.05495	3.6
165.09088	1.9
171.08070	2.2
171.11671	1.7
173.06035	2.2
173.09563	3.1
175.07495	4.5
175.11253	1.9
177.12703	1.9
178.47365	1.2
179.07021	3.0
181.01324	1.5
183.24718	1.0
187.07449	1.9
189.09103	2.4
191.06999	10.1
193.08528	6.5
199.07500	1.9
199.11290	1.2
201.09152	1.3
203.07019	5.1
203.10524	1.3
205.08615	2.2
207.06421	2.5
209.08064	8.4
211.09604	14.0
213.12776	2.3
217.08521	3.9
219.06528	1.6
219.10246	2.6
221.08058	8.8
221.11674	1.7
223.09578	2.5
225.12299	1.4
227.10542	2.8
227.12701	1.5
231.06393	7.1
233.11635	1.3
235.09685	4.2
237.11160	3.3
239.09030	2.7
241.12230	3.3
245.11664	4.9
249.07542	10.2
253.10680	2.6
259.13263	2.5
263.12656	1.9
269.11694	10.8
281.12018	1.2
287.12747	37.3
287.15948	1.6
288.12851	1.7
289.14511	1.3
305.13809	18.0
311.14700	2.6
315.19550	1.9
323.14844	100.0
324.15067	2.5
325.17972	3.7
339.19482	2.1
341.17545	1.3
343.19125	1.8
355.19305	1.7
357.20706	3.7
359.18640	2.6
391.22574	2.0
409.23694	7.7
427.24719	11.5
445.25775	71.0
446.26270	3.9
463.25650	7.7
463.31265	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2683
Annotation	Neovibsanin D
Peak:m/z	Relative Intensity
52.98062	1.3
54.63971	1.3
55.01866	1.8
55.05492	2.2
59.04996	10.0
67.05502	7.2
69.03427	2.2
69.07053	4.5
70.81663	3.9
70.82018	2.7
71.04985	13.5
72.68891	1.3
79.05460	2.0
80.51306	1.4
81.07029	5.0
83.04971	1.5
83.08601	3.9
86.71432	1.6
91.05464	2.4
93.07032	7.5
95.04954	2.3
95.08581	9.4
99.85211	1.2
105.06998	5.8
107.08566	7.1
109.06490	2.8
109.10139	13.0
119.08568	3.7
121.06468	4.0
121.10090	7.3
123.08035	4.7
123.11721	10.4
131.08516	2.4
133.06454	2.4
133.10118	3.2
135.04391	3.8
135.07942	1.6
135.11696	9.5
142.07764	11.0
145.10075	3.3
147.11679	1.5
149.05965	3.0
149.09554	2.8
149.13260	3.4
151.11237	1.6
157.10107	7.0
159.08031	4.1
159.11708	2.4
160.02429	1.7
161.05943	2.0
161.09625	2.5
161.13252	2.6
163.07603	1.8
165.05479	3.4
165.09073	2.3
173.09590	4.5
175.07617	1.4
175.11206	2.4
177.05457	15.7
177.09047	8.8
179.07001	2.2
185.09669	3.0
189.05455	2.6
189.09122	1.7
191.10649	12.5
193.04935	16.2
195.06435	2.3
195.10168	2.2
201.09105	8.1
203.07065	1.4
203.10658	2.5
203.14392	1.5
205.08623	3.5
211.05984	26.9
211.07849	2.0
214.64169	1.5
215.07034	7.2
215.10498	1.4
217.08514	1.7
217.12178	2.1
219.10129	16.7
223.07574	1.5
223.09599	2.3
229.08597	41.7
229.12102	2.4
231.10097	17.1
233.08066	4.8
235.13264	4.7
241.08469	2.1
243.13759	5.6
245.11586	1.8
247.09628	21.6
253.12108	1.8
255.10136	1.7
256.10901	1.7
261.14819	10.6
271.13254	13.8
273.11102	2.3
277.14236	4.0
287.16223	6.6
289.14307	100.0
290.14627	5.0
297.18311	1.7
305.17505	1.6
315.15875	3.4
319.23813	1.4
323.19873	1.5
329.17398	2.2
333.17151	2.3
341.21091	7.9
343.18893	2.4
359.22064	6.2
369.20779	1.8
383.25638	13.8
393.24219	4.2
394.24866	1.6
401.26669	2.7
411.25238	67.7
412.25623	5.1
429.26334	9.8
445.25732	13.2
463.26886	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	5.1
54.36825	4.2
55.05498	9.2
67.05491	19.7
69.07058	44.8
70.14748	11.0
70.15167	12.0
71.04984	6.8
71.94836	4.4
79.05478	15.0
81.07037	19.1
83.01313	6.6
89.16530	4.1
91.05467	14.6
93.07013	22.1
95.04924	13.8
95.08589	19.8
96.13615	4.6
98.20780	6.4
105.03381	68.1
105.07008	21.0
107.08595	25.1
109.06511	9.3
109.10148	21.6
116.30610	5.1
119.08570	5.5
121.10129	37.0
123.11695	5.1
129.03397	4.6
131.08519	6.9
132.51810	4.5
133.10094	21.9
135.07983	6.3
135.11688	9.9
145.10086	10.4
147.11613	8.6
149.05910	5.0
149.09607	5.8
151.03951	5.5
158.77049	5.3
159.11729	8.0
163.11092	5.9
165.05450	16.8
173.09720	4.5
175.11156	11.2
177.05534	10.3
177.09135	8.6
179.01823	7.5
179.03371	97.0
191.07098	6.8
191.10628	5.7
193.04878	5.8
197.04433	37.1
201.09076	7.5
205.08571	18.8
219.10172	13.5
221.08047	5.4
221.11665	9.4
222.08852	13.5
223.06027	7.8
223.09601	24.0
229.04987	9.1
229.08578	7.7
231.10165	6.7
247.09703	6.9
249.11098	5.0
257.04477	28.1
257.08051	100.0
258.08527	5.4
272.03351	4.6
273.07278	5.7
273.11081	6.3
283.09714	8.7
285.03870	52.3
287.12885	6.4
287.16354	7.5
289.14346	19.7
291.12210	11.9
299.12830	6.2
307.16760	6.3
323.14908	41.8
325.17908	27.1
335.12619	8.7
341.10150	45.5
343.18994	35.9
359.16254	8.2
359.22159	5.8
361.20163	11.0
375.23096	8.4
377.17334	96.5
378.17871	6.5
381.13235	5.8
395.18558	63.0
411.25153	7.7
427.24597	8.1
445.25729	80.5
446.26257	5.1
463.20361	34.7
463.26379	8.1
463.31351	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	463.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.2
57.07052	15.0
67.05474	15.6
69.07056	56.7
71.04982	8.9
71.81674	9.0
72.90685	5.0
73.38737	4.8
79.05469	20.2
81.07036	19.8
82.24832	5.4
83.01314	7.5
91.05465	22.7
93.07038	44.7
95.04953	8.3
95.08584	22.3
105.03365	70.8
105.07020	33.4
107.04938	4.9
107.08580	34.1
109.06480	6.7
109.10110	17.2
119.08555	18.4
121.06493	7.5
121.10123	100.0
123.08043	12.1
123.11716	8.3
131.08524	10.0
133.10078	22.3
135.11668	43.1
136.12119	5.4
137.06071	5.6
137.09514	6.0
145.10132	14.4
149.09528	8.9
153.05428	17.4
159.08147	6.1
159.11752	5.6
161.09581	7.5
163.07466	8.8
163.11113	29.9
165.05458	43.0
165.65186	4.8
173.09608	13.0
175.11128	7.9
175.82101	4.6
177.09042	11.9
179.07028	14.3
191.06982	15.3
191.10658	8.6
197.08057	12.2
201.09114	10.6
203.06961	7.2
203.10587	5.3
205.08572	20.9
217.08438	6.5
219.10167	35.2
221.11697	11.7
223.09702	10.3
229.08472	8.5
231.10130	18.1
233.11708	11.7
237.11194	46.8
238.11594	5.6
243.10100	13.9
249.11253	6.4
251.12729	10.4
257.11777	11.6
259.13400	7.4
271.13217	7.5
275.12625	12.0
285.14862	35.5
287.16379	66.6
289.14310	14.9
301.14246	8.0
303.15967	13.9
305.17526	12.3
341.21091	17.2
343.18930	36.2
343.22626	9.0
359.18152	10.6
359.22076	91.7
377.19308	10.1
377.23486	7.0
409.23810	8.7
411.25058	11.5
445.24609	5.9
463.30652	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	463.2684
Annotation	Incisagenin
Peak:m/z	Relative Intensity
53.03932	4.2
55.05500	24.6
56.49503	2.7
67.05492	17.6
68.99782	6.4
69.03411	6.3
69.07056	60.4
71.04165	6.9
71.04535	3.5
71.04987	21.5
79.05487	9.1
81.07051	8.0
82.26404	3.2
83.01349	7.3
83.04953	4.0
85.06529	12.6
91.05453	15.5
93.07027	22.1
95.04941	6.6
95.08586	21.3
97.06518	3.1
97.10144	33.5
105.07015	24.9
107.08575	12.5
109.06516	5.9
109.10150	13.5
111.04408	6.3
112.66995	3.1
117.07011	4.1
119.08576	13.9
121.06492	9.3
121.10125	13.3
123.08031	9.2
125.05994	10.1
125.09628	5.3
129.06979	7.2
130.07774	3.7
131.08566	14.7
133.10114	9.2
135.08005	14.4
136.43864	3.0
143.08632	5.3
145.10114	14.3
147.08008	4.5
147.11682	6.9
149.05962	5.4
149.09589	12.2
151.07552	5.0
153.05379	3.4
157.10103	8.2
159.08054	10.9
159.11615	5.1
161.09598	11.8
163.07500	8.8
163.11163	11.1
165.05403	8.1
165.09113	3.5
167.08507	3.9
167.10667	36.8
169.10030	4.2
171.11601	4.1
173.09579	54.0
173.10904	4.2
173.13116	2.9
174.10432	4.8
175.07571	6.7
175.11198	19.2
177.05493	9.1
177.09108	8.6
178.06218	5.7
179.07040	7.7
181.08568	7.7
185.09622	12.6
187.07471	4.0
187.11273	3.7
189.09076	18.5
191.07016	20.9
191.08582	3.0
191.10666	12.7
195.06544	8.1
201.09151	6.3
203.10648	24.7
205.08543	26.0
209.13254	4.9
211.15079	3.3
213.09126	5.3
215.10652	6.0
217.08543	3.5
217.12267	4.5
221.11667	5.8
223.09608	36.6
229.12189	5.1
231.10059	35.4
231.11769	3.3
239.14285	7.9
247.09650	3.6
249.11172	100.0
253.12260	6.2
255.13876	5.9
267.13959	3.7
269.11676	3.3
271.13409	7.3
273.15045	3.2
279.13535	3.2
281.11929	3.4
281.15219	5.2
283.13245	6.1
285.14874	5.6
289.14389	8.9
295.16727	5.8
299.16345	7.1
301.14172	3.6
307.16922	7.5
321.18634	3.9
323.16336	10.8
325.17978	18.3
329.17325	3.3
329.21033	5.6
337.18069	5.2
339.19510	6.8
341.17529	21.7
343.18988	39.9
344.18875	3.4
359.18405	15.7
375.22192	13.6
393.23480	6.5
411.25174	9.4
440.24826	3.3
445.25922	16.1
463.26749	4.5
463.49078	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	463.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33948	2.4
55.05494	3.8
55.87455	2.6
67.05508	9.3
69.07059	18.2
69.84810	9.6
69.85233	10.9
71.04978	8.3
79.05498	7.3
81.07034	10.1
83.04974	4.8
85.99249	2.5
91.05466	20.8
93.07024	21.0
95.04954	6.0
95.08631	13.0
97.06486	3.4
105.07018	45.7
107.08600	20.3
109.06509	6.1
109.10162	6.7
113.05994	8.2
117.07012	5.2
118.15480	2.4
119.08542	15.2
121.06496	12.5
121.10130	13.2
123.04389	2.4
123.08086	3.8
128.10165	2.6
131.08545	9.9
133.10118	100.0
135.08057	5.9
135.11671	9.6
137.09593	3.3
143.08542	6.5
145.10106	11.3
147.08022	3.6
147.11671	6.3
149.05956	5.4
149.09575	5.9
150.10454	4.4
153.05528	3.7
157.10088	7.6
159.11714	11.3
161.09618	4.0
163.07564	6.0
163.11147	5.7
165.05479	9.7
165.12654	3.1
169.10120	3.8
171.11618	5.0
173.09673	6.7
173.13217	3.7
175.07594	3.2
175.11148	5.6
176.12024	2.7
177.12717	4.4
183.11766	3.2
185.13196	2.7
189.09167	3.3
189.16364	3.2
191.07002	5.7
193.08574	5.0
195.06470	4.2
197.13290	4.7
203.07112	4.8
203.14233	3.4
205.08549	18.8
209.08054	6.1
211.14932	4.4
213.09221	3.6
213.12660	3.9
213.16380	3.3
215.10669	3.1
217.08662	5.4
219.10095	3.3
221.08107	8.4
221.11729	12.1
223.09529	20.8
227.10622	3.5
229.12141	4.0
229.15846	5.4
232.18198	3.3
235.09610	6.3
237.12915	3.8
239.14439	4.8
243.10156	6.7
247.13271	3.7
261.11121	6.8
265.14270	3.5
267.13892	5.1
271.20679	3.6
273.14914	3.8
277.14328	10.9
279.15970	4.3
281.15558	3.6
281.18793	3.4
285.14825	9.2
291.15829	20.7
297.18109	3.7
317.17477	5.4
323.20126	7.4
325.17978	11.8
333.20535	3.6
337.17984	4.3
339.19577	6.7
341.17499	3.2
341.21146	10.4
343.19131	19.4
344.19614	3.3
351.17929	5.7
355.18979	5.1
357.21915	3.2
370.21521	3.2
372.19327	9.9
375.22910	4.7
383.25903	5.9
393.24155	29.6
410.24594	6.7
411.25223	85.2
412.26181	2.9
428.25620	8.3
429.26266	30.9
445.25851	33.4
446.26474	9.0
463.26877	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	3.0
67.05495	12.1
67.28947	2.2
69.07056	55.8
69.62739	2.3
69.68877	13.3
69.69299	6.2
71.04982	4.8
75.63834	2.2
79.05470	3.8
81.07035	3.8
83.01308	3.9
85.06536	14.0
91.05467	6.9
93.07031	7.2
95.08577	6.1
105.07005	9.5
107.08543	10.1
109.06439	2.3
109.10137	30.6
113.00914	2.2
119.08526	3.3
121.06496	4.1
121.10136	7.4
123.08051	2.9
125.09602	3.5
127.11208	4.8
129.11487	2.1
133.10101	18.0
135.08029	7.3
137.09584	2.5
143.08556	3.1
145.10114	2.6
153.05408	4.1
159.08064	4.7
161.05977	3.4
161.09581	10.3
162.06721	5.1
163.07520	7.0
165.05446	10.1
173.09586	5.0
175.07449	3.9
175.11252	4.3
177.05453	24.4
177.09126	11.5
179.07008	4.2
183.11674	3.2
187.07401	3.5
189.09070	24.0
191.06953	5.6
193.08560	2.7
197.08006	3.9
203.06993	10.2
205.08563	55.0
213.01602	2.6
217.08556	33.5
218.48335	2.1
219.10155	4.5
221.08075	5.0
223.09610	71.9
231.10168	4.7
233.11670	5.1
235.09612	100.0
236.10004	2.9
249.11073	5.6
259.13348	5.7
261.11169	5.1
265.12241	3.3
269.11749	4.0
283.13193	5.9
285.14938	3.9
291.15701	4.3
301.14310	3.3
303.15851	3.7
307.16821	7.7
318.79959	2.2
325.17862	20.2
341.21103	3.5
343.18997	86.4
344.19443	2.4
361.20053	39.1
375.23206	4.8
377.19504	10.2
393.24344	6.0
395.20169	3.7
411.25204	7.2
427.24811	2.5
429.26407	10.3
443.64777	2.8
445.25818	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	463.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.6
53.03924	5.4
54.35972	1.5
55.01855	3.5
55.05494	4.6
57.07067	5.1
59.07103	1.6
67.05499	14.4
69.03416	2.0
69.07072	19.1
71.04980	3.8
71.17420	2.9
71.17757	2.2
72.25315	1.5
77.03951	2.0
79.05480	11.5
81.03382	2.2
81.07045	12.9
81.92285	1.6
82.19563	1.4
83.01331	2.7
83.04979	3.8
85.02895	5.1
85.06516	2.5
91.05470	15.2
93.07027	21.4
95.04948	11.8
95.08601	12.8
97.06511	2.6
105.03382	83.7
105.07011	22.7
107.04916	1.9
107.08582	28.9
109.06524	8.0
109.10167	8.8
113.05936	1.7
117.07018	5.3
119.08576	6.4
121.06488	2.5
121.10129	41.4
123.04369	2.9
123.08041	3.7
123.11682	4.2
127.07539	3.1
129.03363	5.4
129.06978	2.4
131.08549	4.7
133.06494	3.0
133.10112	31.0
135.04390	3.4
135.08035	4.0
135.11665	16.5
137.02328	2.9
137.05971	2.1
137.13229	5.5
141.01854	2.8
143.08542	4.4
145.06462	1.4
145.10107	7.9
147.08034	1.5
147.11674	3.0
149.13255	3.5
151.03885	3.9
151.07590	1.6
153.05385	3.2
155.03401	3.3
155.08578	1.9
157.10040	3.5
159.07954	2.0
159.11670	5.0
163.07610	2.6
163.11148	6.0
165.05473	3.1
165.09081	2.2
167.03380	3.2
169.10121	2.2
171.08015	3.7
171.11638	1.9
173.09586	35.0
173.10919	3.1
175.07506	3.2
175.11153	11.0
177.09026	3.8
177.16281	1.6
179.03374	62.7
181.04848	1.8
182.60651	1.5
185.13330	1.6
187.11235	3.4
189.09065	1.9
191.10635	1.9
193.04919	4.8
193.08522	2.4
197.04453	31.1
197.06247	1.8
199.07596	1.8
201.09090	2.3
205.04929	2.7
205.08553	2.6
211.07610	3.1
213.12741	3.6
217.08673	3.3
217.12100	1.5
219.06517	3.4
219.10025	1.6
221.08026	2.5
227.10704	1.8
229.05020	3.8
231.13925	2.3
235.09677	4.9
239.07043	4.4
243.13840	4.1
249.12766	1.9
255.13853	2.1
257.08072	73.4
258.08301	1.8
263.10544	2.4
265.12247	1.7
267.13959	1.7
269.07962	2.3
269.12271	1.9
269.15128	2.1
271.09631	3.8
273.14798	1.7
276.84924	1.5
281.11728	5.1
281.15152	2.8
283.09326	2.9
285.14847	3.4
297.11426	2.3
297.16330	6.6
297.18964	2.8
299.12756	6.6
313.15665	2.3
315.19711	1.9
321.11124	2.8
321.18524	4.3
323.14853	6.5
325.14099	8.1
332.51086	1.6
335.12775	6.5
339.19547	24.8
341.15292	4.8
353.15359	2.8
357.20660	29.3
359.16299	24.6
371.16455	11.0
375.21548	9.3
377.17441	100.0
378.17508	3.4
393.22879	1.7
395.18503	35.7
409.21442	27.3
410.21851	2.1
427.24673	9.8
445.25604	19.3
455.03799	1.5
463.25620	5.7
463.30463	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	463.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52508	0.9
52.35037	0.9
53.03938	2.6
55.01867	1.8
55.05505	2.9
57.07075	1.5
57.26833	1.0
57.61179	1.1
67.05506	7.7
69.03401	1.2
69.07063	17.4
69.24001	1.0
71.04961	1.4
71.05403	2.6
71.05784	1.4
71.52482	1.0
79.05484	6.2
81.03397	1.6
81.07034	5.7
83.01337	3.3
83.08606	1.9
85.06541	1.3
91.05460	8.0
93.07034	16.2
95.04958	7.6
95.08588	9.6
97.10152	2.0
104.60773	1.1
105.03382	64.4
105.07014	14.2
106.03734	1.6
107.05003	1.3
107.08578	16.6
108.08920	1.0
108.68898	1.1
109.06517	2.3
109.10149	4.5
113.06013	1.3
117.07016	1.7
119.08556	3.8
121.06503	2.5
121.10123	32.8
123.08060	2.4
123.11696	1.5
129.03339	5.6
129.07031	1.0
131.08566	2.2
133.10127	14.8
134.10452	1.4
135.11667	6.2
137.02327	2.9
137.09651	1.4
141.01839	3.6
143.08565	1.9
145.10115	4.0
147.04448	1.1
147.11670	3.6
151.03891	3.5
157.10089	1.2
161.09587	1.3
163.11171	3.7
165.05447	8.3
169.10088	1.1
173.09639	4.2
175.11203	5.7
177.09148	1.4
179.03368	76.1
185.13290	1.7
191.03410	1.9
191.11020	1.1
193.04961	2.9
197.04422	34.4
197.13330	1.4
203.07135	1.2
205.05014	2.3
205.08505	2.1
219.06622	1.2
219.10188	1.8
221.11607	6.3
223.05916	1.4
223.09573	2.2
229.04968	1.4
231.06737	1.3
239.06966	2.6
243.06580	4.8
243.10005	1.2
257.08063	100.0
258.08447	1.6
266.45038	1.1
267.13843	2.2
269.08282	1.0
269.12537	1.1
271.09628	2.3
273.14728	1.7
281.11664	4.1
283.09299	5.2
284.34848	1.4
285.14880	1.7
287.16287	2.0
297.16245	2.4
299.12839	4.0
301.10782	1.8
311.14838	1.6
321.11255	3.1
325.14407	10.5
325.17767	1.6
335.12830	5.9
341.15350	3.1
343.18991	4.0
344.03027	1.1
359.16141	11.1
371.16364	3.3
377.17426	95.2
378.17773	3.1
389.17145	1.4
395.18539	44.5
396.18884	1.5
409.21640	8.5
411.25378	2.1
427.23065	1.3
445.23578	6.1
461.34180	1.3
463.24573	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	463.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01870	1.2
55.05502	5.9
57.03423	1.5
57.07061	2.4
67.05499	13.1
69.03408	2.1
69.07054	23.0
70.07514	5.9
71.04977	1.9
77.03915	1.5
79.05129	1.1
79.05492	10.0
81.07044	15.6
83.01328	3.3
85.06532	1.8
91.05457	10.3
93.07040	20.7
95.04940	12.4
95.08580	14.6
97.06491	2.7
98.21366	1.9
105.03379	100.0
105.07008	15.5
107.08568	19.2
109.06519	2.5
109.10120	6.4
111.08039	2.0
117.07032	2.6
119.08571	5.6
121.06502	2.6
121.10122	36.5
123.08037	4.0
123.11697	3.3
129.03313	5.9
131.08574	4.7
133.10123	13.8
135.08032	2.6
135.11681	11.0
137.02344	2.4
137.09618	1.7
141.01784	1.7
143.08545	2.7
145.10088	8.0
147.04422	2.3
147.11679	2.1
149.05983	1.4
149.09621	1.8
149.13266	4.7
151.03906	4.1
151.11137	1.2
155.03355	1.7
157.10178	1.8
159.08052	5.0
159.11688	4.3
161.09598	2.5
163.07596	1.5
163.11125	14.1
165.05531	6.2
165.06688	1.4
171.11685	1.6
171.89920	1.4
173.09604	6.1
175.11147	5.6
177.08995	1.3
177.12825	2.0
179.03366	54.6
181.10103	1.4
183.23047	1.2
193.04968	1.5
197.04433	32.3
197.06232	1.8
197.13257	1.7
201.09084	2.4
205.04967	2.5
205.08560	3.0
205.75894	1.1
209.08116	1.3
211.07542	2.6
217.04541	1.1
219.06537	1.7
219.10065	2.2
221.11696	4.7
223.09529	2.0
225.12814	1.5
235.13213	1.5
237.05383	1.4
237.10922	1.6
239.07013	2.5
243.06540	1.8
243.13895	1.9
245.08093	1.6
257.08057	72.3
258.08466	1.9
269.08090	2.1
271.09586	2.1
273.03992	1.9
281.11646	2.4
281.18896	2.0
282.13873	2.5
283.09537	2.8
287.12738	2.7
289.14346	3.0
297.16321	5.5
299.12823	3.1
299.19775	1.4
301.10757	1.9
305.11380	2.3
311.12411	1.5
321.11118	2.0
323.12720	4.8
325.14566	5.5
335.12701	4.7
341.15372	4.2
343.22729	1.8
357.21255	1.5
359.16464	12.6
359.22403	1.7
369.37793	1.3
371.16223	6.0
377.17380	64.7
378.17789	3.5
395.13843	2.5
395.18567	35.9
396.18701	2.1
409.21317	10.4
417.24466	1.4
419.07434	1.2
427.22858	6.6
427.28418	1.8
445.23895	10.5
463.24719	15.9
463.30496	10.9
474.47153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.1
55.01846	4.6
55.05505	18.8
57.03415	8.9
57.07056	9.9
59.51565	2.2
65.03917	3.1
67.05493	80.9
69.03422	5.2
69.07054	42.7
69.76865	10.7
69.77281	3.9
71.04961	8.4
79.05480	53.1
81.03391	7.5
81.07044	100.0
81.07528	4.7
83.01339	3.1
83.04969	11.4
83.08610	17.7
85.06518	10.1
88.70982	2.0
91.05468	36.3
93.07031	86.9
95.04943	14.8
95.08591	33.2
95.17302	2.2
97.06495	14.0
97.10160	4.7
99.08086	4.3
103.05433	2.3
105.03378	65.6
105.04431	2.9
105.07011	27.2
106.07342	2.7
107.04930	4.3
107.08580	66.9
109.06490	7.8
109.10126	13.8
111.02750	2.3
111.08066	8.6
111.11707	2.4
113.05978	5.2
117.06979	12.7
119.08574	11.5
121.06483	9.0
121.10124	43.1
121.11483	2.0
123.04530	2.4
123.08066	5.7
123.11705	12.3
124.12022	3.9
124.42864	2.1
125.09563	4.4
129.03357	6.0
129.07002	3.0
130.07713	2.9
131.08519	13.0
133.10103	23.4
135.08009	5.6
135.11673	30.8
137.09612	3.7
139.11163	3.0
143.08594	2.6
145.10129	14.6
146.10355	2.5
147.08040	2.2
147.11632	4.2
149.05959	3.3
149.09573	3.0
149.13243	40.7
153.05447	5.0
153.09146	2.3
157.10085	5.0
159.11682	22.4
161.09592	2.8
163.11169	33.5
164.11545	2.5
165.05463	8.1
169.04976	3.4
173.09550	10.6
174.03503	2.0
174.09969	3.5
175.11194	5.1
177.05527	4.5
177.09006	2.9
177.12761	7.1
179.03365	23.2
179.07062	2.5
180.03749	2.9
181.56180	2.2
191.10617	4.1
195.06461	5.2
195.13785	19.3
197.04427	12.8
201.12660	2.7
203.07031	5.6
203.10667	2.4
205.08560	3.5
207.11745	2.9
207.25337	2.1
213.14810	4.7
217.08553	2.7
219.06621	2.3
219.10135	9.5
219.13686	2.5
221.08005	5.5
221.11594	5.2
227.10675	3.0
227.12769	6.5
233.11887	2.4
235.09554	9.3
236.09991	10.6
237.11009	6.8
239.06886	4.7
239.09030	3.3
257.08075	20.5
263.12830	2.5
272.89545	2.0
281.11673	4.9
287.16373	2.6
295.48123	2.6
297.16153	4.8
299.12854	4.9
305.17255	3.5
311.14685	2.5
323.14865	6.6
325.15961	4.4
335.41888	2.3
339.18979	2.4
341.15237	3.4
343.18881	2.8
357.20490	4.3
358.20972	2.5
359.16382	18.1
359.21219	12.5
371.16260	9.5
375.21313	3.0
377.17490	36.7
377.22067	3.4
395.18454	14.7
409.21500	19.2
427.24307	4.0
445.25568	34.9
463.30856	92.1
464.30606	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	463.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.05500	7.5
57.07051	4.9
66.60378	2.3
67.05486	9.2
68.60902	2.9
68.99795	3.1
69.06741	3.4
69.07068	46.1
69.98139	16.4
70.07389	4.2
70.29177	2.4
71.04966	4.9
74.03799	2.2
74.69089	2.5
76.12036	2.4
79.05469	6.3
81.07050	6.6
83.01347	6.0
85.06524	4.2
91.05460	10.3
93.07024	24.3
95.04950	10.3
95.08614	17.1
97.10158	9.2
98.21448	2.9
105.03382	60.5
105.07034	21.6
107.08578	21.5
109.06501	4.8
109.10137	3.9
116.42298	2.8
119.08600	4.2
121.02752	2.7
121.10132	41.8
129.03349	7.1
131.08498	4.3
133.10097	19.5
135.11700	16.5
136.12029	8.4
137.02350	4.1
137.05965	3.4
137.09593	2.9
141.01801	3.3
143.08568	5.2
145.10075	6.0
147.11642	4.5
149.09570	3.5
151.03900	5.1
155.05118	2.5
159.08046	6.5
159.11690	3.0
161.09544	4.3
163.07489	3.0
163.11194	6.9
165.05489	18.4
167.10687	5.7
173.09584	18.4
175.11140	8.7
177.05431	4.3
177.09064	4.6
178.05974	2.5
179.03380	85.8
185.13190	2.6
189.09097	7.3
191.07042	4.9
191.10623	3.7
193.04976	3.1
197.04434	38.9
201.08980	3.5
203.10675	5.0
205.04886	2.9
205.08617	12.5
211.14845	3.2
219.10196	6.4
221.11751	12.1
223.09618	7.7
231.10141	6.3
237.11226	7.1
239.06885	6.0
243.06528	4.8
249.11208	22.6
257.08072	100.0
271.09470	3.5
281.11780	2.8
283.09750	5.1
285.14697	4.7
287.16345	7.7
289.14218	4.7
299.12784	4.8
321.11029	3.1
325.14273	16.1
325.17786	4.8
335.12598	7.7
341.21051	5.5
343.18951	10.3
359.16510	10.7
359.22232	4.7
371.16214	3.6
375.22083	4.3
377.17468	94.8
378.17474	5.0
395.18497	56.0
409.21704	8.1
427.23016	3.1
436.64261	3.0
445.25952	7.8
463.24432	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01851	2.1
55.05488	3.4
57.03410	0.8
57.07069	1.8
58.70369	0.7
61.15461	0.8
65.03925	2.5
67.05492	8.5
68.99785	0.9
69.03410	1.1
69.06704	1.5
69.07057	21.9
70.01351	1.8
70.01772	4.1
71.04965	2.4
77.03920	0.8
79.05479	5.6
81.03395	1.0
81.07037	7.3
83.01325	4.7
83.08611	1.3
85.06528	1.5
88.75632	0.7
91.05455	6.2
93.07033	14.1
95.04953	5.6
95.06274	0.9
95.08598	8.5
97.06496	1.6
97.10159	1.0
98.21397	1.3
105.03377	45.9
105.07018	10.9
107.08572	13.1
109.06512	1.2
109.10137	3.6
109.12317	1.0
111.04404	3.7
117.06993	1.6
119.08542	3.3
121.02851	45.0
121.10136	17.6
123.04435	1.1
123.08060	1.4
123.11685	5.8
129.03342	3.7
129.06984	1.1
131.08557	1.8
133.10124	11.3
135.04344	0.8
135.08046	1.9
135.11684	8.8
137.02322	3.7
141.01764	4.0
142.07632	0.8
145.10112	2.6
147.04466	0.8
147.11691	1.7
149.05940	1.9
149.09601	1.3
149.13264	2.6
151.03871	5.6
153.05453	2.6
155.03354	2.0
155.08549	1.2
157.10133	1.9
159.08014	0.9
159.11679	2.1
161.09622	1.1
163.11107	1.7
165.05464	7.2
167.03400	2.5
169.04912	1.4
171.11623	1.1
173.09612	3.5
175.11165	4.5
177.05458	1.5
177.12711	1.1
178.45554	0.8
179.03366	100.0
180.03703	3.0
187.07521	0.9
189.09029	0.9
191.07001	2.8
191.10591	2.0
193.04897	2.4
197.04424	51.0
197.09491	1.2
201.09102	1.4
203.06972	1.2
205.04932	0.9
205.08556	2.3
207.06717	1.0
214.30087	0.9
217.08543	2.0
219.10199	1.8
221.11621	1.6
223.05913	1.3
223.09549	1.4
225.12822	1.0
229.04944	0.9
233.11681	0.8
235.09517	3.9
235.13148	2.0
239.07024	1.8
243.06516	2.0
243.13783	1.9
255.06477	1.5
257.08047	83.3
258.08438	2.3
261.07462	1.8
261.11603	0.9
263.10403	0.9
273.07541	34.0
273.14917	1.6
275.13269	0.7
281.11633	1.9
283.09509	7.0
285.14758	1.0
287.16339	3.5
288.81711	0.9
289.14261	1.8
299.12827	2.3
301.10727	2.4
301.14215	1.3
321.11176	3.2
325.14349	2.8
335.12704	3.6
341.13660	6.2
343.18936	1.1
357.14728	1.4
359.15942	5.2
359.22379	1.3
371.16339	2.1
374.66092	0.9
377.17383	70.8
378.17801	3.3
393.16998	1.1
395.18484	64.3
396.18781	3.2
407.18414	3.5
409.21475	3.9
427.24396	3.5
445.24167	9.3
463.24841	15.4
463.30600	5.6
464.24695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	Tectoridin
Peak:m/z	Relative Intensity
55.05502	0.2
57.03428	0.3
67.05476	0.3
67.74875	0.2
69.03412	0.7
69.07057	0.4
70.06578	0.3
71.04975	0.2
71.80816	0.2
79.05475	0.3
81.03394	0.2
81.07044	0.4
83.04981	0.4
85.02885	0.6
85.06541	0.2
91.05452	0.3
93.07032	0.5
95.04977	0.4
95.08598	0.3
97.02869	0.4
105.06991	0.3
107.04963	0.2
107.08573	0.3
109.02876	0.3
109.10130	0.4
113.05994	0.3
121.10096	0.2
123.11698	0.3
127.03869	0.2
131.04900	0.2
135.11760	0.2
137.05916	1.1
144.47792	0.2
146.67520	0.2
149.06017	0.2
163.11058	0.2
165.05440	0.6
169.12238	2.0
173.09592	0.2
177.09029	0.3
185.85951	0.2
212.04646	0.3
219.10114	0.3
220.10355	0.2
221.11560	0.3
225.05479	0.9
226.06122	1.1
227.06978	0.8
229.02950	0.2
229.04951	1.1
230.05644	1.4
237.11179	0.8
238.11652	0.2
240.04138	0.7
242.05762	0.5
243.06451	0.2
244.07306	0.6
254.05701	4.5
255.06485	13.9
255.14828	0.3
256.06946	0.6
257.04550	1.3
258.05203	6.9
259.05780	0.3
268.03625	5.0
269.04089	0.3
271.06015	0.3
272.06668	1.9
273.07568	1.5
283.05978	8.7
283.11459	0.4
284.12030	0.6
286.04736	0.9
301.07022	100.0
302.07306	2.0
359.22391	0.2
463.11838	0.6
463.17517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
61.88399	0.4
69.03040	0.6
69.03416	9.7
69.07054	1.0
69.48288	1.3
69.48702	3.2
70.06564	0.6
79.05437	0.5
81.07042	0.5
84.04499	3.7
84.08133	0.5
85.02875	0.9
86.09670	0.4
91.05460	1.3
91.66389	0.4
93.07005	0.4
95.04951	0.9
95.08598	0.8
97.02859	0.5
98.20654	0.9
101.07146	0.4
107.04967	0.5
109.06525	0.7
111.04432	0.8
119.04906	3.5
123.04411	29.7
124.04752	0.7
125.05917	0.5
127.03846	0.6
130.04980	5.9
130.08397	0.4
135.04369	0.6
137.02278	0.6
137.05951	0.9
141.05461	4.0
141.11539	0.4
143.04846	0.8
147.04393	13.8
147.07605	8.4
149.05980	1.9
153.05438	4.8
161.05952	2.4
165.05453	100.0
166.05801	1.9
171.05487	0.4
177.05443	1.4
179.06987	1.7
189.05475	1.5
195.06493	2.0
205.04724	0.5
205.08574	0.5
207.06490	4.0
215.06966	0.5
219.10158	1.3
221.11612	0.9
237.11189	1.3
287.16412	0.8
299.09192	0.8
305.17566	0.4
317.10162	70.7
318.10406	2.2
359.22128	0.5
373.15027	0.4
463.16083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0866
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.03922	0.1
55.01836	0.3
55.48745	0.1
57.03424	1.1
57.45700	0.1
64.03654	0.2
67.01836	0.2
68.99772	0.6
69.03417	0.6
70.63998	0.5
71.01347	1.6
73.02912	3.1
75.04466	0.4
79.05460	0.2
85.02894	8.3
88.01122	0.2
88.44936	0.1
91.05421	0.2
95.01338	0.9
97.02895	0.8
99.00777	0.6
101.02374	0.7
103.03910	0.7
105.03394	0.4
107.04952	1.0
108.05289	0.5
109.02906	0.2
111.00828	0.7
113.02352	3.6
121.02848	3.1
127.03973	0.2
131.03394	2.6
133.02829	0.6
137.02309	0.7
141.01833	1.5
141.02864	0.3
141.06985	0.2
145.06462	0.2
147.04382	0.4
153.00629	0.3
153.01808	4.1
153.03056	0.2
157.06418	0.4
159.02867	1.5
161.05931	0.3
165.01845	1.7
171.04384	0.3
183.02872	0.9
185.05981	0.6
213.05457	1.2
231.06490	0.6
238.05038	0.2
241.04985	0.8
250.89915	0.2
258.05240	1.1
259.06003	0.3
269.04330	0.3
285.50854	0.2
286.04681	0.4
287.05460	100.0
288.05814	1.8
301.03226	0.2
445.13785	0.2
463.15009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2894
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03928	3.2
55.05496	5.5
57.03430	3.8
57.07072	46.5
65.18861	2.0
67.05505	11.4
69.03387	2.5
69.07056	28.2
69.76894	17.7
71.04980	3.6
79.05487	6.3
81.07045	12.6
83.01350	4.2
83.04993	4.2
85.06534	17.4
91.05481	16.2
93.07038	22.4
95.04952	3.7
95.08584	17.1
105.03381	3.8
105.07018	29.2
107.08567	20.5
109.06507	6.5
109.10165	13.3
111.08027	3.3
117.07030	3.7
119.08542	11.7
121.06506	3.8
121.10126	28.2
123.04402	2.4
123.08060	2.8
123.11742	6.6
125.09633	3.4
127.07538	4.9
127.11226	3.2
129.07056	2.6
131.08572	5.5
133.10118	40.0
135.08051	5.5
135.11665	18.8
137.05972	2.9
137.09613	7.1
139.03995	2.7
143.08603	3.6
145.10121	16.7
147.08008	4.9
147.11722	5.7
149.09622	6.6
151.11240	2.4
153.05438	7.2
155.08589	3.6
155.93909	2.1
157.10135	5.4
159.08054	4.6
159.11688	17.4
161.09586	2.4
163.07515	3.0
163.11197	8.6
165.05463	19.1
165.09105	2.6
166.55650	2.2
167.07079	2.6
169.04941	40.8
169.10095	4.8
171.11639	5.0
173.09584	11.7
173.13324	4.0
175.07564	3.5
175.11194	6.2
175.14848	2.4
177.05444	5.3
177.09097	8.8
177.12714	10.9
181.10130	2.4
183.11562	5.0
185.09631	3.0
187.11148	4.4
189.09108	3.0
189.12685	5.0
191.07063	4.0
191.10712	8.1
197.13290	3.5
201.09033	5.3
203.10678	3.8
205.08508	3.1
211.14822	3.8
213.12804	3.7
215.10799	2.6
215.14381	2.4
217.08527	2.4
219.10127	58.4
219.12076	3.6
220.10388	2.6
221.08127	2.4
221.11632	11.8
225.16273	4.6
227.10686	2.4
229.12305	2.6
233.11656	4.1
235.09624	5.5
235.13228	4.4
237.11121	42.6
243.13821	3.5
245.11745	2.5
249.14919	9.6
253.10573	14.8
255.13704	2.9
257.11832	3.0
257.15417	4.0
267.13928	5.3
269.11838	3.1
273.14871	4.9
281.19022	2.7
285.14728	11.4
289.14108	2.9
291.15967	7.2
293.17499	4.4
295.20642	3.5
299.20081	2.6
303.15833	13.0
313.21457	2.9
317.17584	2.5
321.16928	11.8
323.20102	5.4
339.19595	3.4
341.21069	24.4
346.13889	2.2
349.21790	5.0
357.20645	16.5
359.22119	14.1
373.20380	2.6
375.21689	13.4
377.23233	4.1
379.26456	3.1
393.22525	3.7
407.25894	22.5
425.22067	2.6
425.26984	39.6
443.28036	66.2
444.28436	3.2
461.28995	100.0
462.29059	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	461.2892
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
55.05489	4.1
56.73573	1.8
57.07067	52.7
59.04992	10.9
62.55034	1.6
67.05492	9.2
69.07062	19.0
69.80173	13.3
69.80486	3.5
79.05486	3.1
81.07047	10.6
83.01330	5.3
83.04974	2.5
83.08601	2.8
85.06032	3.2
85.06528	37.6
85.86856	1.5
91.05468	5.5
93.07037	10.3
95.04914	1.8
95.08599	11.1
98.20715	3.2
105.07010	8.5
107.04961	2.0
107.08618	9.8
109.06515	8.1
109.10139	15.1
113.56986	1.5
119.08565	6.1
121.06505	5.5
121.10117	5.5
121.65246	1.8
123.08042	7.1
123.11685	6.7
129.06990	2.4
133.10106	7.4
135.04378	6.5
135.08020	3.3
135.11665	12.4
142.07823	2.3
145.06488	2.3
145.10080	4.8
147.07991	2.8
147.11624	4.4
149.09587	4.8
153.05405	4.4
157.10107	2.4
159.07968	3.0
159.11597	2.3
161.09592	2.4
163.07530	3.8
165.05489	9.3
165.09096	2.9
169.04933	6.4
173.09605	7.3
175.07533	4.2
175.11189	3.4
177.05464	14.7
177.09113	9.0
178.62692	1.7
179.03357	4.0
179.06964	4.7
189.05434	6.4
191.07068	3.4
191.10649	18.7
193.11714	1.8
195.10094	6.6
197.09483	1.9
199.10999	1.7
201.05389	8.5
201.09128	8.8
203.07071	4.1
203.10597	4.8
205.04987	3.5
207.06538	10.2
219.06781	1.8
219.10088	28.7
221.11694	4.3
225.07558	32.7
227.10654	6.8
229.08514	12.4
231.13892	1.8
233.11766	3.2
235.09604	5.4
237.11220	9.1
243.10138	20.5
245.11639	15.7
247.09601	2.8
251.12682	3.5
253.10629	6.4
257.15353	3.1
261.11194	18.0
269.11588	2.2
275.13187	2.9
275.16360	17.1
285.14789	19.0
287.16251	4.1
291.15930	7.7
303.15894	100.0
304.16214	3.2
313.21494	2.8
329.17410	5.4
341.21045	10.9
357.20584	20.6
359.22101	3.1
371.63385	1.9
375.21490	6.7
397.27371	16.4
407.25720	2.6
415.28754	2.8
425.26849	42.2
443.27863	6.2
461.28616	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	461.2891
Annotation	Lys Trp Lys
Peak:m/z	Relative Intensity
57.03417	2.1
57.07062	17.2
59.63685	1.9
65.44292	1.7
67.05472	3.8
69.07068	19.4
69.73070	2.5
69.73515	12.4
70.07372	2.4
70.64566	2.0
79.05453	3.4
81.07020	5.0
83.01342	2.5
85.06542	2.2
85.54285	1.8
91.05453	5.0
93.07006	7.0
95.08582	5.2
105.07024	12.4
107.08593	6.8
108.42592	1.7
109.10123	2.3
117.06981	2.2
119.08549	3.2
121.06514	3.1
121.10130	47.3
123.08063	3.7
127.03864	2.4
131.08513	3.9
133.10107	41.8
135.08017	5.1
135.11652	7.2
137.05910	4.7
145.10114	6.6
149.09549	3.3
153.05435	4.9
161.09579	2.0
163.07529	6.6
163.11172	10.7
163.12328	1.9
165.05455	84.4
173.09547	3.8
176.08209	2.5
177.09120	10.4
191.07050	1.8
191.10661	7.8
196.66017	1.7
201.09061	3.3
205.08534	2.1
219.10130	66.7
220.10478	2.8
221.11710	76.5
237.11192	100.0
238.11517	2.5
243.10005	2.1
254.09428	1.7
255.21121	1.9
267.13800	6.1
285.14813	36.4
287.16330	2.2
303.15857	7.1
305.17435	35.3
305.53000	2.1
306.17746	2.1
323.19907	4.0
341.21033	8.0
357.20541	33.4
358.20770	3.6
359.21512	4.7
369.20477	8.2
375.21362	6.3
407.25482	4.2
425.26855	15.4
443.27597	7.0
461.28134	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	461.2891
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
50.32138	0.8
55.01884	0.8
55.05489	1.4
57.06795	1.2
57.07069	15.6
59.04985	1.0
67.05503	4.8
68.99778	0.8
69.03420	1.3
69.07057	8.3
70.98602	1.2
71.04984	5.4
71.05306	0.9
77.41560	0.7
79.05482	2.3
81.07043	3.4
83.01313	1.3
83.04962	2.1
85.06529	9.5
88.58659	0.8
91.05467	2.4
93.07018	4.5
95.04955	1.6
95.08589	5.0
105.07019	3.9
107.04977	1.5
107.08576	5.4
109.06493	2.8
109.10162	4.3
111.08060	1.8
117.06945	0.8
119.08541	2.0
121.06492	2.8
121.10155	3.2
123.00762	1.0
123.04408	1.1
123.08046	3.9
123.11699	1.0
125.02323	0.9
125.09608	1.3
127.07534	2.0
130.43044	0.8
131.08577	2.6
133.10088	2.3
135.04449	0.8
135.08028	2.4
135.11684	4.4
137.05984	0.8
137.09587	2.6
139.03970	0.9
139.11188	1.0
141.05345	0.9
141.09094	1.5
143.08583	1.0
145.10110	3.1
149.05960	2.4
149.09612	6.7
153.05435	6.7
159.08057	1.5
161.06024	1.4
161.22339	0.8
163.07454	1.7
163.11171	0.8
165.05453	1.6
169.04955	1.4
171.08093	0.9
173.05988	1.0
173.09566	5.3
175.11159	2.2
177.05479	6.8
177.09120	8.5
177.12706	1.1
181.08516	1.4
187.11082	1.0
189.09088	1.0
191.06992	2.3
191.10649	3.4
193.04939	0.8
193.08635	0.8
195.06458	2.0
195.10173	1.9
201.09067	2.5
203.07115	0.9
203.10686	1.8
204.07816	1.1
205.08704	1.1
207.10115	0.9
209.11765	0.8
213.12737	1.0
215.10658	1.9
217.08591	1.6
219.10132	36.1
223.13223	1.4
229.08505	5.1
233.11723	5.3
235.13237	1.6
237.11171	40.8
239.14392	0.9
243.10190	2.0
247.09688	3.0
251.12672	1.8
257.15253	2.9
261.11243	1.2
261.14890	1.0
263.12662	1.0
267.13873	1.0
275.16254	1.0
279.16287	1.0
285.14825	4.4
289.14417	2.2
299.16452	0.9
303.15851	31.4
321.16919	29.9
341.21136	1.4
357.20605	2.4
359.22205	2.2
375.21790	1.2
377.23105	1.2
425.26764	5.0
443.27963	22.0
461.28952	100.0
462.29404	3.6
471.00912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2891
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03935	3.3
53.35600	0.8
55.01851	4.2
55.05508	12.9
57.03433	4.7
57.07060	1.5
65.03925	2.4
67.05499	38.1
69.03399	2.2
69.07066	10.7
70.40503	3.7
71.04980	2.9
79.05488	24.9
81.03413	32.9
81.07047	31.9
83.04974	6.5
83.08608	12.2
85.02905	1.6
85.06539	1.6
85.64154	0.9
91.04916	1.8
91.05472	26.4
91.06046	1.8
93.07035	26.7
95.04962	20.9
95.08598	14.3
97.02917	1.3
97.06523	4.7
97.10170	6.6
103.05450	1.6
105.07024	19.4
107.04939	8.3
107.08582	14.3
109.06509	3.9
109.10133	5.3
111.04462	1.1
111.08096	7.6
115.05434	2.3
116.06264	0.9
117.07002	8.0
119.04930	1.3
119.08549	12.6
121.06494	6.1
121.10140	10.1
123.08016	5.5
123.11753	1.3
125.09615	3.7
128.06219	1.3
129.06982	7.4
131.04938	1.3
131.08563	14.3
133.06517	4.7
133.10117	7.5
135.08052	4.9
135.11647	4.6
137.09601	1.7
139.07564	2.5
141.06985	2.2
142.07735	2.3
143.08507	4.9
145.06470	5.9
145.10143	6.0
147.08063	4.8
147.11694	4.5
149.09604	4.0
149.13234	9.4
155.08557	3.5
157.10132	6.8
159.08041	3.6
159.11646	5.9
161.09608	2.7
161.13269	1.2
163.11168	2.6
169.10074	2.1
171.08017	2.4
171.11670	2.0
173.09645	5.8
173.13281	1.3
175.11142	6.4
177.12729	3.1
181.10147	1.6
183.11792	1.1
185.09639	2.2
185.13254	3.0
187.11176	2.0
189.09215	1.2
189.11218	3.0
192.34071	1.1
193.12210	11.0
195.11720	1.3
195.13791	1.8
197.13232	2.6
199.14835	3.0
205.08527	2.4
205.12334	1.1
213.12891	1.0
217.15883	3.8
223.09666	3.8
225.12764	1.6
227.12646	1.2
233.15443	1.0
239.14346	1.0
249.14932	3.0
257.15329	1.1
257.48444	0.9
275.16443	1.1
300.68176	1.0
301.14584	1.1
325.17914	1.7
330.57584	1.1
341.24719	1.7
343.19049	4.4
343.22760	2.6
351.23199	5.5
361.20126	3.4
369.24194	13.2
387.25345	6.9
405.26102	1.6
409.23660	1.0
417.26324	4.3
425.27399	1.1
443.28119	15.7
444.28867	1.5
461.28995	100.0
462.29193	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2889
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
52.55824	0.6
55.01858	0.7
55.05487	1.3
57.03415	1.4
57.06797	1.5
57.07066	21.8
58.50919	0.7
60.25481	0.6
67.05464	1.8
69.03404	0.6
69.07044	1.4
69.64993	1.4
69.65402	4.4
71.04976	1.8
79.05511	0.9
81.07036	1.9
83.01306	1.4
83.04954	1.2
85.06532	9.0
85.43696	0.6
91.05478	1.6
93.07008	3.6
95.04942	1.0
95.08575	1.5
98.21438	0.9
105.06990	2.2
107.04913	0.8
107.08569	3.7
109.06493	1.7
109.10126	3.0
111.08078	3.8
119.08553	1.1
121.06503	1.0
121.10106	1.2
123.08035	2.1
127.07530	2.2
131.08530	0.9
133.06389	0.6
133.10130	0.8
135.08005	3.2
135.11668	2.4
135.90796	0.7
137.05920	0.8
139.07515	0.7
145.06357	0.8
145.10049	1.9
149.05942	1.6
149.09605	5.3
153.05449	6.8
159.08064	1.7
163.07518	2.1
163.11148	2.7
165.05458	1.5
173.09628	3.3
175.11198	0.8
177.05444	2.9
177.09084	8.1
181.08516	1.2
187.07620	0.9
187.11124	0.9
188.15646	0.6
191.06992	1.7
191.10590	4.3
195.10109	1.1
201.09045	2.5
203.10687	1.1
215.10625	2.6
217.08545	2.8
219.10123	46.7
229.08478	0.9
233.11720	4.1
237.11169	34.4
243.10136	1.1
243.13820	2.4
249.11177	1.1
251.12778	1.4
257.15350	1.9
261.14880	1.6
275.16238	0.9
285.14761	5.2
303.15845	17.1
309.16846	1.1
321.16922	100.0
321.64093	0.7
322.17334	3.2
359.22299	1.0
425.27066	1.2
443.27887	54.1
444.28012	2.3
461.29080	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17825	2.8
53.03945	4.7
55.05499	13.3
57.03422	4.5
57.07065	49.6
57.88947	3.9
67.05495	28.3
68.99788	4.8
69.03413	9.4
69.07063	25.1
71.03229	11.9
71.03579	3.9
71.04984	28.0
79.05477	27.7
81.03388	11.3
81.07037	28.9
83.01344	3.6
83.05001	8.1
83.08578	5.8
85.06524	13.4
91.05463	28.6
93.07032	56.4
95.04942	11.7
95.08596	38.9
97.06528	4.9
97.10146	13.5
99.83599	3.7
105.07018	84.5
107.04890	5.4
107.08579	60.9
109.06487	15.9
109.10131	13.9
111.08036	4.9
113.01721	3.8
113.09627	31.7
117.06992	13.1
119.08555	34.4
119.58623	3.5
121.06509	9.8
121.10130	26.3
123.08041	34.8
123.11691	12.4
125.09638	6.2
129.06949	7.9
131.08560	18.6
133.06552	4.3
133.10107	21.9
135.08035	18.5
135.11674	89.9
137.09595	56.2
139.11200	6.7
141.09090	62.6
143.08528	6.6
145.06430	5.6
145.10100	41.8
147.07994	7.3
147.11670	40.0
148.60051	3.4
149.09587	11.7
149.13225	6.0
153.05443	5.6
153.09055	14.8
155.08459	4.6
156.09351	8.1
157.10097	17.6
157.12183	5.1
159.11699	8.6
161.09587	7.0
163.07549	10.1
163.11137	9.2
165.05428	9.1
165.06912	4.3
165.09099	47.0
169.04950	9.4
171.11679	16.3
172.16249	4.4
173.09613	100.0
173.13220	4.6
175.11159	82.3
177.09093	8.7
177.12752	17.8
179.03366	10.9
181.08540	7.9
183.10172	60.7
185.09612	4.2
189.09029	5.1
189.12738	8.0
191.10657	21.7
193.04872	4.3
193.12238	7.3
195.11668	4.1
199.11125	11.8
201.09041	3.5
203.10648	11.7
205.08513	5.1
205.12212	4.3
207.10109	9.7
207.13766	10.2
217.12219	13.6
219.10065	35.8
219.13644	4.2
221.11624	10.5
225.11035	5.3
225.14769	7.4
234.12379	4.9
235.09705	16.4
235.13222	58.1
237.11153	20.0
245.11617	4.2
249.11143	8.4
255.12048	8.3
269.15118	3.2
281.18924	9.8
291.17410	5.0
295.20612	4.4
297.22113	6.8
303.15912	4.6
305.13828	7.0
309.18719	18.8
311.19821	5.8
315.23203	7.2
319.16763	4.0
321.16928	14.7
323.86249	3.7
327.19473	4.1
329.21359	3.7
337.17749	13.8
341.21155	40.6
345.20541	10.6
355.19052	24.0
357.20493	7.2
359.22147	65.5
363.23065	7.4
373.20093	16.8
375.21503	26.9
377.06601	18.9
377.23175	81.4
379.22519	4.9
381.24091	8.0
387.25320	5.6
405.26428	4.1
407.21854	5.6
425.22638	10.8
425.27139	11.4
443.23874	15.0
443.28583	10.3
461.15704	15.6
461.29172	90.5
462.29477	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
63.89605	1.4
65.03934	2.1
67.05491	6.7
67.93248	1.2
69.03416	5.3
69.07047	4.8
70.41708	6.4
71.04992	7.9
79.05479	5.0
81.07032	5.4
82.69126	1.4
83.04969	1.7
84.25263	1.4
91.05463	11.1
93.07037	9.7
95.04957	2.4
95.08586	6.0
97.06574	1.5
97.10138	1.7
98.20780	2.0
105.07012	70.7
105.07722	3.4
106.28478	1.3
107.08574	16.3
109.10160	2.6
115.05421	1.3
117.07008	5.4
119.04913	2.6
119.08553	16.6
119.92150	1.6
121.06467	2.5
121.10150	11.0
123.08064	2.4
123.11643	1.7
125.09627	3.8
129.06960	4.4
130.07756	7.2
131.08559	4.8
133.10101	9.0
135.08035	16.4
135.11629	3.2
137.09599	17.4
139.07460	2.0
141.06900	1.7
141.09062	2.7
142.07761	4.9
143.08540	4.5
145.06456	2.4
145.10106	36.3
147.07990	2.6
147.11659	29.1
149.05972	5.3
149.09618	1.7
151.11107	1.7
153.09090	14.6
155.10597	3.1
157.10080	9.7
159.11725	3.5
161.09592	2.0
161.13177	1.8
163.07542	8.7
163.11157	4.8
165.09114	3.8
169.04938	4.7
169.10100	2.7
171.08061	3.9
171.11662	11.8
173.09596	100.0
174.10095	1.5
175.11166	64.0
177.12817	2.3
179.03371	2.4
179.14268	2.9
181.08636	8.3
185.07982	2.1
187.11183	3.3
187.14694	1.4
189.09093	3.9
189.12685	3.3
191.10632	17.7
193.12183	2.0
197.13258	2.4
199.09567	1.7
199.11198	7.4
199.14745	1.7
201.09016	4.9
202.09760	1.9
207.10065	1.8
207.13751	6.5
209.13254	2.9
213.12804	2.1
217.08598	3.6
217.12206	5.3
219.10068	10.7
221.13338	2.2
225.12891	1.7
225.14877	5.8
234.12448	3.4
235.09520	4.7
235.13237	62.7
237.11157	2.4
249.12701	2.0
251.14424	1.6
263.18011	2.5
265.19516	1.5
281.19055	8.4
283.20615	2.2
291.17307	7.1
293.18979	4.4
294.24863	1.5
309.18463	20.4
311.19995	4.7
319.16809	2.2
327.19464	5.2
331.18933	2.3
337.17902	12.6
345.20663	9.7
355.19031	23.0
357.20490	1.8
363.23080	9.3
373.20038	13.3
379.22662	6.1
381.24225	6.9
397.24011	1.8
407.22183	7.3
425.23102	15.3
443.23804	12.7
461.29669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2529
Annotation	Preaustinoid A1
Peak:m/z	Relative Intensity
53.03949	2.5
55.01873	3.2
55.05515	6.8
57.03431	1.6
59.32209	1.3
67.05496	16.3
69.03419	3.2
69.06699	1.7
69.07063	30.1
69.70592	11.8
71.04987	14.1
79.05491	12.4
81.03414	7.1
81.07043	17.4
83.01334	4.4
83.04963	4.0
83.08598	4.6
85.06530	4.0
86.10841	1.4
91.05470	11.7
93.07050	18.1
95.04961	12.2
95.08599	11.4
96.08937	1.5
97.06506	2.0
97.10150	3.9
99.04462	2.5
103.92262	1.4
105.03387	1.7
105.07037	15.5
107.04932	5.8
107.08574	10.4
109.06520	7.2
109.10129	4.2
111.08056	2.0
113.05967	1.9
117.07009	6.0
119.08562	8.8
119.09336	1.6
121.06495	6.4
121.10146	8.4
123.08051	8.5
123.11743	1.6
125.09630	2.9
128.06226	2.3
129.06995	6.1
131.04895	1.9
131.08543	8.5
133.06462	3.1
133.10130	6.7
135.08047	4.7
135.11705	6.3
136.10997	1.8
137.09659	2.0
139.03926	1.6
141.06932	2.0
142.07773	3.6
143.08569	5.6
145.06497	3.0
145.10104	6.5
147.08043	7.7
147.11678	2.7
149.05962	2.0
149.09601	4.4
149.13266	3.0
151.07532	1.3
153.05472	2.8
155.08559	4.2
157.06461	2.0
157.10135	4.3
159.08089	4.5
159.11690	4.3
161.05952	2.0
161.09587	2.8
163.11226	3.9
165.05476	3.7
165.09120	2.6
166.39384	1.5
169.04924	14.1
169.10121	2.7
171.08060	3.2
171.11659	2.5
173.09648	9.8
173.13330	1.4
175.07562	4.0
175.11189	4.4
176.08208	2.6
177.05440	4.8
177.09148	3.2
177.12755	2.8
181.10062	1.6
183.11754	2.0
185.09586	2.7
187.07481	2.3
187.11324	2.3
189.09074	3.7
189.12875	2.3
191.07008	8.3
191.10803	1.9
192.07799	3.8
193.04927	1.6
193.08546	2.3
193.12222	2.7
195.11815	1.9
195.13802	1.7
197.09631	3.3
199.11273	1.8
201.05266	1.4
201.09154	3.9
201.12790	2.8
203.07036	3.9
203.10680	2.8
205.08543	8.1
207.11771	1.7
209.09518	1.8
211.11125	3.5
213.09120	4.4
213.12813	2.3
215.06935	2.4
215.10654	3.3
217.08566	19.5
217.15891	1.8
219.10078	7.6
223.09561	2.2
225.09218	2.8
225.12621	1.7
227.07094	1.4
227.10698	3.9
229.08591	12.1
229.12219	5.1
231.10112	2.3
233.11794	1.9
234.08971	1.8
235.09351	2.0
238.09836	2.1
239.08888	3.5
239.10934	3.4
239.14468	1.9
241.08603	15.7
241.12497	1.5
242.09335	2.6
243.10158	4.5
245.11662	6.7
247.09654	11.2
253.12167	8.2
255.13852	2.0
257.11716	26.2
259.09607	9.9
259.13425	2.4
266.09406	2.8
267.09909	1.5
269.11740	3.6
269.15308	1.7
271.13309	4.7
275.12720	8.5
279.13843	2.3
281.11691	31.7
285.14807	2.7
287.12759	18.6
296.14142	2.2
297.14810	11.2
299.12762	51.6
300.13211	3.4
303.15973	2.9
305.13724	10.2
309.18311	1.8
315.15762	11.1
317.13788	71.0
318.14130	4.0
321.14728	3.4
328.40646	2.0
333.16827	3.2
337.17892	2.4
339.15897	19.0
351.23279	2.9
355.19040	44.1
356.19440	3.2
357.16934	100.0
357.20480	4.8
358.17383	4.7
369.24411	7.5
373.20047	5.3
375.17981	70.4
376.18234	4.0
387.25247	2.9
391.22226	1.8
393.19049	2.3
409.23880	3.7
425.23264	5.3
427.24738	1.7
443.28680	11.6
461.29263	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01851	1.9
55.05503	9.5
57.03420	5.2
57.07070	1.3
57.97676	1.2
58.37142	1.0
59.50801	1.0
61.02899	1.3
61.19839	1.1
67.05494	21.7
69.03397	1.2
69.07067	6.2
71.04996	2.1
71.80232	1.6
79.05484	24.8
81.03410	6.0
81.07044	16.8
83.04977	8.8
83.08590	4.4
85.02888	1.8
85.06545	1.5
91.03961	1.3
91.04940	1.4
91.05472	21.6
93.07034	27.1
95.04959	10.1
95.08580	13.3
97.02872	2.3
97.06514	2.0
97.10175	2.2
105.03436	1.3
105.07010	16.8
107.04926	3.3
107.08584	9.2
109.06503	2.4
109.10131	2.7
117.06977	4.0
119.08573	11.4
121.06493	2.1
121.10142	2.6
123.08040	3.3
125.20393	1.1
126.12986	1.1
129.06972	5.2
131.08527	2.6
133.10107	6.7
135.11705	1.8
137.09575	2.7
143.08525	4.4
145.10115	5.0
147.08031	2.1
147.11682	13.0
151.07500	1.8
156.05739	1.2
161.09654	1.9
161.13226	4.8
163.11177	1.2
169.10162	1.2
170.50946	1.3
171.11690	11.9
173.09625	2.8
173.31277	1.1
186.79314	1.1
189.12729	4.2
191.10645	3.1
202.25351	1.1
207.13748	7.5
218.35893	1.0
231.13838	1.1
263.50977	1.1
269.04269	2.2
281.17441	100.0
282.17834	2.1
299.08984	1.3
369.23611	1.8
387.24353	2.2
425.22910	1.9
443.22827	1.6
443.28204	1.8
461.29016	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1437
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
53.03932	0.8
55.01879	0.4
57.64368	0.2
69.72308	1.8
77.03921	0.2
78.92888	0.2
79.05481	1.2
81.03413	0.3
85.02901	0.5
90.14713	0.3
95.04948	1.6
95.08633	0.3
98.21414	0.5
100.35798	0.3
105.04485	0.5
107.04942	100.0
108.05284	1.0
120.08144	0.3
157.06424	0.3
165.01817	0.7
165.05524	0.7
177.05409	0.5
189.05437	0.3
193.04990	0.4
195.02826	0.4
205.04935	11.7
206.05716	4.1
207.06432	0.4
216.04257	0.3
217.04907	3.5
219.06485	1.6
229.04852	0.4
230.05780	0.6
231.06528	1.1
233.04398	0.9
235.05991	18.4
241.04793	0.4
243.02875	0.8
245.04335	0.5
245.08047	3.3
247.06018	1.0
249.07631	0.3
259.05994	5.1
261.03897	1.3
265.07050	0.6
271.06088	0.4
273.07492	1.4
274.18304	0.3
277.06894	0.4
283.05914	0.3
289.07022	1.1
299.09076	0.9
301.07022	2.4
311.09119	10.9
312.09329	0.6
319.08105	1.5
323.09152	3.1
325.10678	0.8
337.10544	0.5
341.10156	18.5
342.10477	0.6
351.12369	0.7
353.10168	0.6
365.10150	6.5
366.10522	0.3
371.11224	1.2
377.10205	0.5
379.11832	0.9
383.11166	0.5
389.09937	0.3
395.11246	7.3
400.99551	0.3
407.11313	3.0
425.12271	9.9
426.12915	0.4
443.13333	19.0
444.13498	0.8
461.14368	42.7
462.14813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.40672	0.4
55.01875	2.3
57.03423	0.7
66.15456	0.5
67.01840	0.4
67.05481	0.4
68.99777	1.4
69.03414	1.4
71.01353	0.4
71.81280	0.4
77.03909	0.4
79.05472	1.4
81.03398	1.9
81.07043	0.6
85.02894	1.6
91.05471	1.2
93.03365	0.5
95.04957	2.0
97.02864	4.9
103.03911	0.4
103.70813	0.4
105.03392	0.6
105.06997	0.7
107.04940	100.0
108.05296	1.2
109.02867	1.4
109.06535	0.5
111.00800	0.6
112.58547	0.3
119.04906	0.6
121.02840	5.3
123.04443	0.8
127.03918	2.5
131.04929	0.7
135.04399	1.1
137.02328	10.9
139.03900	1.0
141.01796	1.4
147.04376	1.4
151.03976	0.5
153.01813	5.2
161.02327	0.8
161.05959	0.7
163.03922	1.8
165.01820	7.2
167.03325	0.6
169.06413	0.5
171.02844	0.6
173.06013	0.5
175.03873	1.9
175.07567	0.4
175.11220	0.4
177.01796	1.4
177.05449	1.7
179.03342	0.9
183.02873	5.6
187.03922	1.0
189.01837	1.6
189.05458	4.8
190.05798	0.5
191.03400	1.4
192.04178	0.5
193.04956	1.3
195.02872	0.6
197.05991	0.5
199.03979	0.6
201.05460	0.9
203.03363	4.8
203.05177	0.6
203.07082	1.6
204.04176	0.5
205.04935	17.9
206.05527	0.7
207.02898	1.5
213.05424	0.8
215.03380	6.1
216.04129	0.5
217.04887	3.4
217.08572	0.6
219.02872	0.6
219.06508	0.9
221.04405	0.7
225.05402	0.5
227.07056	1.2
229.05003	2.6
230.05620	0.9
231.02896	11.2
231.06468	6.4
233.04468	1.2
234.05234	0.6
235.05978	12.6
243.06549	1.0
244.07411	0.5
245.04376	0.6
245.08046	2.9
249.03859	3.4
253.05013	1.3
255.02811	0.5
255.06567	1.1
257.04428	4.3
259.05969	2.3
263.05472	0.9
267.06537	0.6
271.06030	2.8
273.03940	1.4
275.05457	12.3
275.08328	0.7
276.05664	0.8
281.04468	1.8
282.05212	0.7
283.06055	1.0
295.06049	0.9
297.07553	0.5
299.05499	1.5
299.09238	2.0
300.06262	0.5
301.07098	2.1
311.09094	39.9
312.09427	1.7
313.07037	1.5
323.05426	1.6
323.09152	1.8
325.10699	0.6
329.06534	0.9
335.09103	0.7
337.10681	3.7
341.06494	29.2
341.10239	35.4
342.06821	1.7
342.10629	1.1
351.12195	3.7
359.07687	1.3
361.10599	0.9
365.10159	25.7
366.10590	1.0
371.07425	0.7
377.10199	4.8
379.11722	0.7
389.10144	6.0
395.11200	16.9
396.11487	1.1
401.08661	2.3
407.11218	9.8
425.12317	13.5
436.74127	0.5
443.13269	9.2
443.19321	0.5
461.14429	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	459.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
55.05506	2.8
57.03428	2.2
57.07076	21.6
67.05505	1.6
69.03412	1.6
69.07063	26.7
71.81549	2.1
73.06548	6.1
79.05487	3.4
81.07050	6.2
83.01322	3.8
85.06541	5.0
91.05479	4.0
93.07034	22.4
95.04974	2.8
95.08591	5.0
105.07034	5.4
107.08592	21.1
109.06506	5.6
109.10152	6.0
112.19330	1.5
119.08556	2.8
121.06531	2.2
121.10114	3.9
121.51788	1.6
123.11695	12.9
131.08650	1.5
133.10124	3.7
135.08121	6.9
135.11678	27.0
137.05984	4.7
145.10123	4.4
147.11697	2.1
149.05907	3.4
149.09647	3.2
153.05472	7.5
159.08005	1.7
163.07526	5.3
163.11188	5.2
165.05466	77.8
165.09140	2.0
171.07945	2.0
173.09612	8.5
175.07570	2.1
176.08348	2.8
177.05479	2.6
177.09108	9.7
183.82617	1.5
189.09181	1.9
191.07037	2.8
191.09239	1.4
191.10640	7.9
201.09166	7.5
205.08670	2.3
207.10175	2.2
207.73970	1.6
209.11497	1.6
219.10144	84.8
221.11708	14.3
225.11241	5.5
230.17108	1.7
231.10109	2.2
237.11194	100.0
243.10089	2.6
245.11736	3.2
263.12695	2.6
265.14371	2.1
287.16388	81.0
293.17502	4.8
303.15884	2.5
305.17441	4.4
315.15930	1.9
321.17728	1.4
339.19568	3.7
341.21097	5.1
343.22617	1.7
357.20499	13.1
359.22162	53.2
371.22061	9.3
373.20087	2.9
391.21133	15.5
425.27008	3.6
427.28406	3.3
441.26318	2.7
459.27344	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	459.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35424	1.9
52.76347	1.5
54.20718	2.0
55.05514	5.4
57.03417	3.4
57.07072	27.7
57.52192	1.7
59.35337	1.7
60.02982	1.8
67.05500	6.8
69.03420	2.2
69.06693	4.0
69.07061	65.3
69.07434	3.7
73.06547	9.3
79.05480	6.5
81.07045	8.7
81.83843	1.7
83.01323	3.5
85.06538	8.3
85.71716	1.7
91.05488	6.1
93.07028	15.8
95.04978	2.8
95.08606	6.8
97.10197	1.8
98.21496	4.2
99.28515	1.9
105.07011	7.3
107.08595	14.3
109.06512	2.8
109.10100	9.0
111.08069	2.9
119.08585	4.2
120.68032	1.8
121.06553	2.9
121.10158	11.9
123.08070	2.7
123.08937	1.8
123.11684	11.1
130.03273	2.5
133.10132	5.8
135.08061	5.8
135.11693	16.5
137.05986	3.3
145.10081	4.9
147.11702	2.6
149.05989	2.4
149.09644	4.2
153.05443	5.9
157.10141	2.6
159.08125	2.1
161.09528	1.8
163.07544	8.0
163.11206	3.4
165.05461	30.2
165.09122	2.6
167.06998	3.3
173.09663	8.6
175.07530	2.9
175.11148	2.9
177.05507	7.4
177.09122	13.1
189.09119	3.4
191.07025	6.2
191.10634	7.6
201.09019	3.8
203.07048	11.2
203.10698	4.1
205.08623	4.0
209.07976	3.0
210.91974	1.9
217.08571	4.8
219.10158	66.2
221.11702	9.6
225.11214	5.2
229.12253	3.8
231.10170	5.6
233.11737	2.9
235.09703	2.6
237.11200	100.0
243.10139	4.0
245.11696	6.2
247.13235	2.1
257.11752	10.8
259.13351	3.2
261.11252	2.5
263.12793	2.6
271.13278	3.8
275.12711	8.7
275.16345	5.6
285.14679	3.0
287.16382	34.3
288.16678	2.1
289.14340	4.8
303.15942	2.2
315.15866	3.2
319.19043	10.0
321.17511	2.1
339.19528	8.1
341.21100	4.8
343.22665	30.2
355.18893	3.7
357.20575	24.6
359.22125	67.0
371.22128	2.5
373.20041	4.6
375.21567	3.9
389.24548	4.0
391.20468	12.8
391.24936	8.3
401.17285	2.8
425.26944	3.2
429.16949	5.0
430.17676	2.5
441.26199	5.7
443.18674	2.2
445.20264	5.1
459.21643	37.9
459.27188	5.6
460.22412	23.1
464.38196	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	459.3099
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.03928	1.2
55.05504	7.0
57.06813	1.1
57.07067	16.5
59.04995	1.1
63.57479	0.8
65.03925	1.0
65.95204	0.8
67.05498	7.0
69.02123	0.8
69.03435	0.9
69.07058	37.4
71.04967	1.7
73.06528	2.5
78.44926	0.8
79.05482	5.8
81.07047	9.8
83.01316	3.8
83.04969	2.1
83.08602	3.8
85.06531	10.2
86.12346	0.7
91.05460	7.8
93.07031	26.1
95.04958	1.6
95.08601	7.7
96.64654	0.8
97.10096	1.2
98.20750	1.7
103.05385	1.0
105.07021	7.0
107.08576	18.0
109.06499	4.0
109.10137	9.0
111.08041	1.4
117.06981	1.6
119.04939	1.3
119.08544	5.1
121.06464	3.9
121.10117	5.2
123.08024	3.0
123.11688	8.1
124.22346	0.9
125.05907	0.9
125.09612	0.9
127.03878	1.2
127.07555	1.0
131.08557	1.7
133.10114	6.1
135.08034	2.9
135.11671	18.1
137.05957	2.6
137.09549	1.0
139.03847	1.7
142.07761	1.0
143.08540	1.0
145.10086	3.7
147.08038	1.4
147.11656	1.5
149.05925	2.0
149.09583	2.3
151.07487	2.2
153.05457	9.3
159.08067	2.1
159.11684	1.1
161.05971	2.6
161.13278	0.9
163.07507	3.6
163.11086	1.0
165.05455	21.2
165.09137	1.5
167.06989	2.9
169.04974	2.7
173.09578	5.0
175.07524	2.6
175.11192	1.4
177.05435	9.3
177.09026	8.1
179.03366	1.8
179.07005	8.7
181.04831	1.3
181.10136	1.0
189.05418	1.4
189.09006	1.5
191.07008	7.0
191.10632	2.5
193.08546	2.2
197.09735	1.7
201.09053	2.1
203.06940	3.8
203.10649	1.5
203.14268	1.0
204.07794	1.9
205.08591	8.8
205.10330	1.4
205.12138	1.4
207.10103	2.9
209.08000	2.5
211.09509	1.5
213.09084	1.3
215.06847	1.1
215.10629	1.9
217.08572	2.5
219.06810	1.6
219.10139	35.5
220.10350	1.1
221.08153	1.1
221.11720	4.2
225.11232	3.0
229.08554	1.0
231.10147	5.6
233.08000	1.7
233.11678	7.9
235.09482	1.8
237.11180	38.6
242.09190	1.1
243.10121	3.6
245.11678	1.5
247.13303	1.9
249.11125	5.5
251.12711	10.1
257.11700	3.5
259.13315	2.5
261.11267	2.7
261.14719	1.2
263.12656	1.1
271.13171	3.1
273.14716	1.2
275.12970	6.2
275.16147	6.4
277.14249	3.8
283.13260	1.1
285.14758	3.9
287.16370	18.3
288.16745	1.1
289.14224	3.7
291.15829	2.2
299.16278	0.9
301.14249	2.2
303.15909	9.1
307.18857	1.4
319.15295	1.8
319.18976	25.0
320.19235	1.2
321.17255	0.9
339.19495	3.9
341.20996	1.6
343.22763	3.7
355.19070	1.6
357.20517	8.2
359.22168	18.3
371.22018	1.3
373.19958	2.8
373.24017	1.7
375.21136	1.4
375.25284	2.3
389.23212	10.0
391.24792	100.0
392.25143	5.1
403.24826	2.6
405.24289	1.1
423.25162	1.2
425.26605	1.9
441.26300	3.7
459.27036	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	459.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.34867	1.0
55.05500	3.5
57.07069	12.3
67.05496	4.0
69.07061	26.1
71.08619	2.9
72.10085	1.2
79.05485	2.5
81.07013	6.3
83.01330	2.4
83.04972	1.5
85.06546	3.1
91.05470	3.9
93.07047	7.7
95.04938	1.5
95.08582	8.5
99.08083	1.9
105.07020	6.9
107.08585	8.2
109.02888	1.2
109.06521	2.9
109.10133	5.7
111.11761	1.4
119.08542	2.9
121.06507	1.4
121.10130	10.8
123.08076	2.1
123.11675	12.0
127.03872	3.3
131.08528	2.0
132.05780	1.1
132.83145	1.2
133.06441	1.6
133.10144	3.5
135.08070	2.9
135.11685	10.7
137.05981	4.9
139.03874	2.9
143.08493	1.2
145.10120	3.4
147.11642	1.7
149.06064	1.9
149.09651	3.9
153.05409	6.6
157.10068	1.6
159.08011	1.1
159.11697	2.1
163.07553	1.5
163.11145	3.1
165.05458	95.4
167.07057	2.2
173.09605	4.1
175.07626	1.9
175.11223	2.2
177.05458	13.7
177.09103	3.9
179.07033	2.4
181.05040	1.1
187.11079	1.6
189.09094	1.8
191.07025	10.5
191.10696	3.8
195.06499	2.0
203.07169	1.9
204.07820	5.1
205.08562	1.6
207.10072	1.1
209.08183	1.4
215.10635	5.1
219.10115	8.7
221.11703	41.8
230.70885	1.4
231.10255	1.4
233.08083	1.6
233.11710	41.2
237.11139	9.2
239.12733	1.4
247.13222	1.9
251.12752	100.0
252.13045	1.4
253.10599	2.8
263.12769	1.9
271.13364	1.2
275.12921	2.3
280.90784	1.3
285.14709	1.2
287.16357	37.7
289.14319	2.9
291.04202	1.4
297.15259	1.2
299.16385	1.6
303.15967	2.5
305.17441	3.7
315.16006	2.1
319.18951	4.2
337.17807	2.2
339.19763	2.7
341.21078	1.2
343.22684	4.4
357.20456	10.1
359.22150	4.5
371.21927	2.4
373.19922	3.8
373.23816	26.3
375.21616	1.7
391.20874	7.5
391.25552	1.7
423.25140	2.1
425.26703	2.6
429.16794	2.7
429.70142	1.5
441.26361	4.2
443.18454	1.5
459.21753	16.7
459.27057	2.4
460.21866	3.9
460.27972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63890	0.6
51.78081	0.6
55.05496	1.0
57.03428	1.2
57.07066	7.4
61.02284	0.7
61.35109	0.5
63.22621	0.5
67.05481	2.2
69.06697	1.2
69.07059	18.9
69.63718	0.7
69.63908	1.0
69.64327	4.5
74.44812	0.5
79.05461	1.3
81.07048	3.1
83.01320	1.3
83.08605	0.7
85.06531	1.7
89.19728	0.6
91.05450	1.4
93.07038	9.1
95.04953	0.7
95.08579	0.8
98.21457	0.7
105.07051	0.7
106.80915	0.7
107.08579	5.1
109.06503	1.2
109.10122	2.3
119.08582	0.7
121.06476	1.7
123.11687	2.3
127.07525	1.0
133.10098	0.8
135.07991	0.9
135.11703	6.9
137.05943	1.7
145.10045	0.7
153.05455	4.9
163.03789	0.5
163.07544	2.8
163.11237	0.8
165.05446	8.5
168.24278	0.7
173.09460	0.6
175.07565	0.8
177.05434	1.6
177.09052	3.0
179.06995	7.1
191.06981	2.2
191.10616	3.5
199.58424	0.6
201.09007	1.1
203.07018	2.3
205.08585	4.8
205.12164	1.6
206.09346	0.9
207.10126	2.0
215.10637	1.2
217.08565	1.2
219.06593	1.7
219.10126	21.6
221.11673	1.7
225.11156	1.7
227.10974	0.6
229.08615	0.6
229.12137	0.7
231.10138	5.2
233.11681	9.2
237.11191	20.5
243.10144	1.0
245.11739	0.9
247.13422	0.6
251.12776	10.9
256.11130	0.7
257.11661	6.0
259.13342	1.8
275.12759	13.6
275.15952	0.9
285.14798	4.1
287.16379	37.7
288.16785	1.2
303.15875	7.5
319.18979	3.9
341.21072	6.1
343.22678	3.6
357.20374	2.9
359.22128	100.0
360.22562	4.7
371.22101	4.9
389.23105	1.8
391.20474	0.7
391.24698	3.8
427.28146	1.3
459.31271	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	459.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
57.07068	8.3
57.63912	0.6
61.51357	0.5
67.05480	1.8
69.03423	0.8
69.06693	1.0
69.07060	16.5
71.06606	0.8
71.06918	0.9
73.06554	1.0
77.11491	0.5
79.05463	1.5
79.08160	0.5
81.07048	3.4
83.01328	1.7
83.03223	0.5
83.08581	0.7
84.51402	0.5
84.70872	0.5
85.06512	2.7
91.05462	2.2
93.07034	9.5
93.96655	0.6
95.04961	0.8
95.08576	2.0
105.07011	2.4
107.04951	0.8
107.08587	5.8
109.06498	1.8
109.10121	3.1
109.37640	0.6
111.04409	0.5
116.43435	0.6
119.08537	1.4
121.06496	1.7
121.10129	3.5
122.10934	0.8
123.04432	0.7
123.11694	2.6
133.10071	1.8
135.08034	1.2
135.11667	5.5
137.05959	1.2
137.09573	0.7
145.06438	0.7
145.10095	1.3
149.09644	1.3
153.05440	3.9
159.08067	1.0
161.09537	0.5
163.07507	2.8
165.05460	7.1
167.07036	1.0
169.05063	1.3
173.09627	1.8
175.07568	0.9
175.11087	0.7
176.08286	0.5
177.05444	4.6
177.09097	3.2
179.07011	6.7
187.11203	0.8
189.05455	0.8
189.09120	1.2
191.06963	4.1
191.10771	0.8
195.06480	1.6
195.10150	1.0
201.09087	1.5
203.07024	1.8
204.07834	1.1
205.08609	2.3
207.10170	0.8
209.11674	0.7
215.06979	0.8
215.10716	1.2
217.08629	0.8
219.06699	1.1
219.10127	17.7
225.07614	1.0
225.11192	2.2
227.07314	0.6
229.08607	0.7
231.10114	3.2
233.11717	8.4
235.09682	0.8
237.11177	24.1
239.10703	0.6
242.09517	0.7
243.10167	2.5
245.11763	1.1
247.09480	0.8
247.13300	1.6
251.12761	15.1
257.11603	4.2
259.13293	1.2
261.11288	1.3
275.12769	14.9
275.16278	1.8
280.58536	0.6
285.14850	4.1
287.16385	31.9
289.14352	1.0
301.14081	0.6
303.15903	13.0
311.20004	1.2
319.18945	1.9
329.21063	1.9
339.19424	1.0
341.21143	1.7
343.22665	2.7
357.20596	6.7
359.22128	100.0
360.22653	3.0
371.21915	2.7
373.20151	0.7
389.23331	1.6
391.20422	0.9
391.25232	2.8
425.26730	5.8
427.28589	0.9
459.17200	0.7
459.26633	0.8
459.31830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05505	0.8
57.03421	1.4
57.06836	0.6
57.07072	7.7
57.96944	0.5
67.05482	2.8
69.03417	1.3
69.07060	25.3
69.48023	1.3
69.48437	4.6
79.05476	1.2
81.07045	3.3
83.01326	1.6
83.04997	0.5
84.22435	0.5
85.06533	3.1
91.05475	1.5
92.79132	0.5
93.07035	8.7
95.04927	0.6
95.08613	1.3
105.07007	1.4
107.08582	8.6
107.09250	0.9
109.06504	1.2
109.10135	4.6
117.07022	0.6
119.08591	0.6
121.06466	1.7
121.10147	2.6
123.08011	0.5
123.11685	2.0
127.07562	2.0
131.08559	0.9
135.08055	1.5
135.11674	8.9
137.05946	0.8
145.10146	1.5
147.07965	0.5
149.09596	1.5
151.07516	1.0
153.05444	4.0
158.07353	0.6
161.05959	0.7
161.09653	0.5
163.07527	3.2
163.11179	1.1
165.05446	10.9
167.07047	0.7
173.09608	2.1
175.07559	1.1
176.08208	0.8
177.05452	1.6
177.09108	5.4
179.07002	8.3
181.08525	0.5
185.09367	0.5
189.05545	0.6
189.09119	1.1
191.07007	2.4
191.10614	4.5
201.09128	2.4
201.60289	0.5
203.07001	2.6
203.10695	0.9
204.07785	1.2
205.08586	5.3
205.12228	2.2
206.09406	1.6
207.10193	2.5
209.11751	0.7
213.09322	0.6
215.10637	1.8
217.08684	1.5
218.09302	0.7
219.10141	28.0
220.10527	0.6
221.11746	2.0
225.11230	2.1
229.08513	1.0
229.12177	0.8
231.10146	6.2
233.11697	13.2
237.11176	27.3
239.14229	0.6
242.09322	0.8
243.10158	1.3
243.13699	0.6
245.11920	0.9
247.13354	0.9
251.12762	18.5
256.10687	0.5
257.11725	5.3
259.13333	2.0
261.11282	0.8
265.14246	0.6
271.13214	0.9
273.14722	0.8
275.12750	8.5
275.15918	0.8
279.15823	0.6
283.13449	0.6
285.14810	7.2
287.16385	48.1
288.16666	1.6
289.14359	0.8
303.15860	13.7
303.19217	1.0
317.17221	0.7
339.19623	1.2
341.21085	8.2
343.22638	5.8
357.20679	5.1
359.22119	100.0
360.22491	3.5
371.22165	4.0
389.23151	0.7
391.20493	0.9
391.24820	9.7
427.28436	6.6
441.26138	1.0
459.31018	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05505	4.8
56.48106	0.9
57.03426	2.5
57.07070	25.1
67.05493	8.3
69.03411	2.9
69.07059	54.6
69.50809	8.4
73.06554	5.0
79.05489	5.7
81.06606	1.6
81.07044	14.5
83.01319	5.8
83.04965	3.0
83.08613	2.0
85.06530	5.9
91.05483	6.3
93.07027	18.4
95.04951	2.5
95.08604	9.0
97.06512	1.3
97.10175	1.3
105.07002	10.3
107.08577	19.0
109.06506	6.8
109.10143	12.0
111.11705	2.7
117.06979	1.7
119.08598	5.9
121.06446	5.5
121.10133	9.9
123.04391	1.5
123.08060	8.8
123.10891	1.8
123.11693	21.6
127.03866	1.2
127.07542	2.0
131.08551	4.9
133.06458	1.1
133.10110	8.2
135.08046	5.1
135.11668	22.1
137.05975	3.6
137.09624	1.7
138.06757	1.0
139.03880	2.9
139.11150	1.5
143.08565	1.9
145.10144	5.8
147.08029	2.2
147.11673	1.9
149.09564	3.7
151.03984	1.3
151.07523	1.3
151.11174	9.4
152.11783	1.1
153.05461	8.6
157.10103	1.4
159.08044	2.6
159.11662	2.1
161.05945	2.1
161.09566	1.6
161.13197	1.5
162.06711	2.3
163.07520	6.5
163.11195	2.0
165.05461	50.7
165.09100	2.9
166.06151	1.2
167.03331	1.4
167.07013	8.8
169.04955	7.1
171.07976	1.5
173.09583	6.8
175.07524	3.2
175.11105	2.5
176.08316	2.0
177.05438	3.4
177.09079	12.5
179.03400	1.1
179.07010	7.4
179.10655	1.5
183.02843	3.1
185.13185	1.1
187.11096	1.5
189.05396	1.7
189.09189	2.3
191.06973	5.1
191.10620	8.6
201.09109	5.5
201.16336	1.3
203.07007	3.5
203.10732	2.6
204.07751	1.9
205.08574	6.5
205.12198	1.2
206.09373	2.0
207.06645	1.0
207.10165	3.4
209.08083	1.6
209.11589	1.8
213.09253	1.2
215.10591	1.9
217.08571	2.5
219.10139	64.5
220.10561	1.2
221.08174	2.0
221.11650	9.7
223.09605	2.7
225.11172	3.9
229.08583	1.3
229.12189	1.8
231.10176	6.5
233.08038	1.5
233.11682	9.7
235.09612	6.7
237.11177	72.4
238.11523	1.4
239.09059	2.1
243.10150	3.2
245.11693	1.8
247.13219	1.6
251.09151	5.6
251.12720	13.1
253.10608	1.5
257.11679	3.6
257.15271	1.0
259.13220	3.0
261.11215	2.1
263.12793	1.7
269.15317	1.6
271.13239	2.4
273.14807	3.0
275.12735	7.4
275.15912	1.3
285.14960	6.7
287.16379	74.2
288.16660	2.0
289.14270	2.7
291.15802	2.4
293.17422	1.4
297.14838	1.2
301.14282	3.8
303.15851	14.2
305.17465	3.6
315.15958	1.2
319.15372	4.0
319.18600	1.6
321.16861	1.4
339.19531	3.8
341.21088	8.7
343.22714	7.8
355.18799	2.1
357.17120	1.0
357.20624	11.8
359.22134	100.0
360.22522	2.2
371.22174	8.8
373.20087	5.2
375.21439	2.0
383.51935	1.0
389.23212	9.5
391.20233	6.1
391.25497	6.6
405.24097	1.7
423.25348	2.2
425.26721	2.3
427.28290	9.0
441.26440	5.6
459.26962	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	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.7
55.05505	11.0
57.07067	47.8
59.05001	5.0
59.47842	2.9
67.05487	14.6
68.14857	3.8
69.03409	5.4
69.07058	55.0
71.04980	5.0
71.34912	7.3
77.61842	2.6
79.05479	6.6
81.07039	24.7
83.01337	6.9
83.04995	5.7
83.08599	6.5
85.06542	18.4
91.05476	8.7
93.07032	21.8
95.04922	7.7
95.08603	18.0
96.16004	3.3
104.16161	3.0
105.07026	17.5
107.08567	32.2
109.06498	12.5
109.10153	20.8
119.08571	8.4
121.06528	3.9
121.10130	31.8
123.08070	9.0
123.11700	23.7
125.09633	9.4
127.07549	4.1
127.98317	2.8
131.08560	6.9
133.10110	11.9
134.13327	3.0
135.04486	4.0
135.07980	4.7
135.11674	16.6
137.09590	6.9
139.03903	5.6
142.07709	3.3
143.08563	4.2
145.10120	8.5
147.11668	4.3
149.09598	7.5
153.05479	8.3
159.08034	6.4
159.11490	3.5
161.06075	2.9
161.09680	4.4
163.07524	4.9
165.05492	24.4
167.03375	3.8
167.07045	6.3
169.10185	3.4
171.08015	5.4
171.11716	3.8
173.09657	8.4
175.07503	3.4
175.11130	5.7
177.05498	15.8
177.09125	11.4
179.03345	18.6
179.07126	3.6
187.07504	4.5
187.11246	4.0
189.05446	5.1
189.09164	5.9
191.07076	9.4
191.10707	6.2
197.04462	11.4
199.11189	5.2
201.09074	7.1
203.07085	4.8
203.10713	3.8
205.08588	9.1
205.15894	3.3
209.08029	4.6
215.07071	6.2
215.10722	4.1
217.08530	5.5
217.12138	3.1
219.10120	30.5
221.11760	6.2
225.07478	5.8
227.10738	4.9
229.08577	9.1
229.12291	3.8
231.10124	11.6
233.08195	5.7
233.11743	5.2
235.09573	15.1
237.11238	12.7
241.08617	3.5
243.10100	30.9
243.13901	3.8
245.11761	6.4
247.13271	5.3
251.09230	5.0
251.12811	8.8
255.08478	3.5
255.13788	4.4
259.13364	9.7
261.11185	21.4
263.12711	5.0
269.15375	5.5
271.13333	9.8
273.11340	3.9
273.14752	6.9
275.12888	5.6
275.16183	3.1
279.13882	5.1
283.13235	11.4
285.14871	11.9
287.13049	3.5
287.16241	6.8
289.14301	9.9
297.14822	11.7
299.16217	3.7
301.14285	54.7
303.15802	33.8
306.17490	3.4
314.91187	3.5
315.15839	11.7
319.15292	14.3
321.18149	3.5
329.21155	9.8
337.18143	4.3
339.19470	12.9
343.19028	4.6
355.19019	13.9
357.20612	52.9
358.21017	5.9
359.22284	5.8
373.19992	100.0
373.24448	7.0
374.20428	6.1
389.23151	10.9
391.20932	25.9
397.27588	3.3
423.25635	3.4
425.26883	44.5
426.27090	3.7
441.26477	18.0
459.27328	14.0
470.97473	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.01859	2.7
55.05490	7.4
57.06801	3.0
57.07071	48.7
57.34742	2.5
67.05481	11.3
68.99752	3.1
69.03403	2.5
69.06686	4.5
69.07060	89.8
71.41131	6.8
79.05463	5.2
80.07983	2.3
81.07026	9.7
83.01331	8.7
83.04963	3.5
83.08601	2.7
85.06540	17.5
85.21041	2.7
91.05454	14.5
93.07031	34.6
95.04952	8.9
95.08598	17.8
97.06520	5.0
97.10128	5.5
99.04447	5.3
99.08064	2.7
105.07003	14.3
107.08577	16.3
109.06496	8.2
109.10152	14.3
111.04436	2.7
111.08060	3.2
117.06998	3.5
119.04927	5.4
119.08545	11.0
121.06456	6.4
121.10136	14.4
123.08057	6.8
127.07561	4.0
131.08556	7.9
133.06482	4.3
133.10103	12.0
135.08032	8.4
135.11620	3.5
137.05884	4.0
137.09599	6.9
139.03848	3.1
145.10075	10.1
147.08075	4.4
147.11642	3.2
149.09602	11.4
151.07536	6.0
153.05432	9.0
153.49706	2.4
159.08038	6.1
161.05957	3.9
161.09586	3.4
163.07521	6.0
163.11174	7.5
165.05463	8.3
165.09090	4.9
167.06985	3.4
167.10648	9.3
171.07996	14.9
173.09578	16.7
175.07553	6.7
175.11119	8.1
177.05402	6.3
177.09088	9.1
178.06345	2.7
179.03407	2.8
179.06941	4.2
181.08601	4.0
189.09093	5.5
190.06215	2.4
191.07030	17.9
191.10677	13.0
195.11618	3.5
199.11119	4.5
201.09195	4.9
201.12598	3.0
203.10638	8.1
205.04933	3.5
205.08650	4.9
206.09193	2.4
207.06598	2.6
209.08031	7.6
215.10704	4.7
217.12161	7.6
219.10118	61.8
219.13551	3.0
221.11681	2.7
225.09119	2.8
225.12834	3.4
227.10622	4.0
229.12221	5.7
231.10118	3.4
233.11641	6.6
235.09477	3.8
237.11159	53.3
237.13309	4.0
239.14278	3.6
241.12109	3.7
243.09908	2.8
243.13780	3.6
245.11655	10.0
247.13232	5.8
255.09949	2.7
255.13980	3.8
257.11874	3.3
259.09576	3.8
261.11139	6.7
263.12717	33.1
267.13837	3.3
269.11673	3.2
271.13358	14.3
281.13800	4.8
283.13312	4.8
289.14468	16.7
297.14703	8.5
301.14545	3.4
305.17432	14.2
307.15479	28.7
313.14462	4.2
315.15839	6.2
317.13885	2.9
319.16809	4.2
321.18182	4.2
329.17508	3.6
331.19009	4.0
337.18011	12.9
339.19455	21.5
347.18555	3.2
351.19312	3.8
355.19119	22.4
357.20578	66.7
358.20721	4.0
373.20038	30.6
374.20798	3.1
375.21619	12.5
387.23322	3.2
389.24661	5.4
391.21100	100.0
405.24103	6.9
407.25815	4.6
423.25195	9.7
425.26691	9.3
441.26401	16.9
459.27396	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	459.2733
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
50.98104	1.9
55.05518	3.9
57.03446	3.1
57.07070	30.2
67.05481	8.0
69.03453	3.1
69.07064	54.6
71.04978	3.9
79.05467	3.1
81.07043	9.2
83.01334	6.4
85.06540	8.0
91.05475	7.9
93.07030	22.8
95.04953	7.1
95.08584	9.2
98.20581	2.7
99.04443	5.6
105.07020	12.4
106.15605	2.3
107.08589	10.3
109.06519	5.2
109.10155	9.2
111.08050	6.8
117.07210	2.5
119.08556	3.2
121.06487	4.6
121.10126	15.7
123.11755	2.7
127.07554	3.2
131.08560	4.6
133.10124	7.5
135.08049	6.3
135.11696	3.9
137.09584	6.6
145.10129	9.6
149.09596	5.6
151.64549	2.4
153.05411	6.7
157.68556	2.6
163.07535	3.9
163.11125	5.2
165.05482	4.9
171.08054	6.5
173.09642	8.2
177.05434	3.2
177.09071	9.6
179.03351	2.8
179.07013	4.7
181.08528	2.4
191.07021	12.5
191.10657	9.0
201.09157	3.9
201.12628	3.4
203.10533	2.8
203.14380	3.1
209.08069	4.9
219.10144	54.3
221.11653	3.3
229.08652	2.9
233.11696	5.7
237.08688	3.6
237.11150	65.3
243.10272	2.6
245.11736	5.5
247.13243	4.9
253.12221	4.3
263.12643	13.7
265.14407	4.8
271.13358	5.8
275.12631	3.3
283.13010	3.7
285.14798	3.8
289.14349	16.2
297.14816	7.1
301.14334	3.6
307.15338	16.9
315.15802	4.7
319.15131	3.2
337.17896	5.6
339.19531	9.2
355.19012	11.5
357.20551	61.9
373.20129	26.5
375.21506	5.5
389.24515	3.1
391.21133	100.0
392.21460	4.8
423.25354	5.9
425.27304	4.1
425.96759	2.4
441.26382	17.6
459.27487	22.2
464.90466	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	459.2734
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
51.42476	2.5
55.01873	3.1
55.05503	13.7
57.03412	4.3
57.06796	2.9
57.07068	46.4
66.39908	2.4
67.05489	17.7
69.03422	4.9
69.07059	100.0
69.81866	5.5
69.82287	13.1
70.25166	2.9
71.04980	2.9
76.56420	2.3
79.05478	5.9
81.07038	9.8
82.05753	2.4
83.00624	2.1
83.01313	12.2
83.04959	3.5
83.08595	3.3
85.06532	24.8
88.36104	2.2
89.08609	2.5
91.05468	10.5
91.69370	2.7
93.07019	16.9
94.60156	2.3
95.04953	6.1
95.08601	21.6
97.06534	3.6
97.10120	3.5
99.04445	6.0
105.07003	15.6
107.04925	2.5
107.08561	18.8
107.52063	2.4
109.06492	8.2
109.10151	20.2
111.08047	5.5
113.09641	4.2
117.07022	4.2
119.04906	7.1
119.08565	4.8
121.06466	5.9
121.10127	15.0
123.08045	9.7
125.09563	3.2
131.08553	6.2
133.10080	16.1
135.08037	10.7
137.05940	3.3
137.09602	9.2
139.03893	2.7
143.08537	4.1
145.10071	13.2
147.08035	5.6
147.11667	3.7
149.05908	2.8
149.09572	8.8
153.05432	10.1
157.10144	2.8
159.08067	4.2
159.11714	3.4
161.09587	5.0
162.06657	2.8
163.07545	6.0
163.11157	9.3
165.05417	5.9
165.09132	3.4
167.10616	5.3
171.11642	2.9
173.09610	16.3
175.07533	5.9
175.11179	8.9
177.05475	6.2
177.09036	13.4
179.03403	5.9
179.07018	2.8
181.99220	2.3
185.09558	3.2
189.09074	6.9
191.07004	9.6
191.10695	14.3
193.59886	2.6
195.10101	3.0
197.09727	2.4
199.11272	2.9
200.60970	2.5
201.09064	7.6
203.10725	4.9
205.04970	3.0
205.08522	4.1
205.12123	3.4
209.08047	4.2
215.10529	3.1
217.08559	4.2
217.12166	5.5
219.10135	81.2
219.12126	4.9
221.11617	5.7
229.08521	5.3
229.12364	3.3
231.10059	3.0
231.13736	3.3
233.11615	3.8
235.09641	4.6
237.11165	92.4
239.10550	2.9
242.90501	2.4
243.10149	4.7
245.11740	10.7
247.09384	2.9
247.13271	4.5
255.13925	4.0
259.09647	3.1
261.14871	3.3
263.12659	20.8
267.13782	4.6
271.13303	4.8
275.12735	3.5
283.13193	4.6
285.14972	5.2
287.16397	2.9
289.14264	19.9
295.13281	2.8
297.14853	6.8
299.12814	3.0
299.16293	4.3
301.14297	5.1
305.17392	20.5
307.12610	2.7
307.15405	26.8
309.18137	3.5
311.16513	2.9
315.15775	4.7
317.13953	2.8
321.18411	6.2
325.17599	2.8
337.17996	8.4
339.19550	25.2
341.17487	4.1
351.19403	3.2
355.18896	23.6
357.20569	95.9
358.20782	4.6
362.72491	2.6
373.20013	25.5
374.20737	8.3
375.21561	9.1
389.24521	5.6
391.21106	99.2
405.24423	2.9
407.25879	6.1
423.25244	3.4
425.26666	9.2
441.26236	22.7
459.27206	40.9
460.27823	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36382	0.9
55.01844	1.0
55.05507	1.0
57.03436	1.0
57.07071	11.2
67.05488	1.7
69.07062	19.0
69.82998	6.6
79.05482	0.9
81.07037	1.5
83.01345	2.8
85.06540	2.4
91.05464	3.4
93.07018	2.4
95.08602	7.4
97.10168	1.8
98.20772	1.3
105.07027	7.3
107.08592	7.0
109.06487	1.0
109.10132	2.1
119.04931	3.6
119.08596	1.4
121.10138	1.7
129.06976	1.0
131.08536	1.9
133.10121	9.2
135.08072	2.0
143.08597	1.1
145.10060	1.9
147.11668	1.2
157.10088	1.4
159.11612	1.4
163.07487	1.5
163.11272	1.1
165.05518	1.4
165.09180	1.0
171.08026	1.5
173.09557	7.1
175.07600	1.1
175.11171	2.6
177.09116	3.5
185.13181	1.2
191.10655	2.4
195.11636	1.7
199.11163	1.4
201.09119	1.9
209.30310	0.9
211.14638	1.1
219.10138	22.0
219.12114	1.3
221.13234	1.0
223.14804	1.3
233.11636	1.8
237.11160	25.5
239.10675	1.0
239.14369	2.8
243.13811	1.0
245.11589	1.8
251.14412	1.4
255.13690	1.3
263.12445	4.2
263.17938	0.9
264.87607	1.0
265.12280	1.5
265.15756	1.2
267.13837	4.4
271.13040	0.9
275.17871	1.1
277.12277	1.5
277.19461	0.9
279.13705	1.9
283.13229	2.3
283.16714	1.3
285.14886	2.3
287.12946	1.1
291.13632	1.1
292.14505	1.7
297.14874	2.4
301.14270	1.1
303.17337	1.7
305.18936	2.4
311.16522	1.2
315.15829	3.0
317.17523	1.2
321.18433	6.1
323.20038	1.6
331.19080	1.0
333.18594	2.6
339.19528	47.4
341.21121	3.8
351.19537	7.3
357.20560	100.0
358.20819	2.6
373.19910	1.0
379.26566	1.1
384.85950	1.0
389.24701	13.4
391.21097	15.9
407.25793	6.7
425.26697	5.8
459.27185	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	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.9
57.03410	2.1
57.07071	23.6
58.97467	1.9
59.35640	1.6
67.05479	7.2
69.03423	2.5
69.06702	2.5
69.07060	39.7
69.85391	12.8
73.86920	1.6
79.05470	2.2
81.07037	6.0
83.01321	5.2
83.04948	2.1
85.06518	5.4
89.66459	1.7
91.05456	6.7
93.07037	10.0
95.04909	2.1
95.08595	11.6
105.07005	13.1
107.08569	13.8
109.06522	3.5
109.10128	6.8
119.04918	6.8
119.08555	2.7
121.06490	2.2
121.10116	7.3
122.99860	1.7
123.08038	2.5
124.44268	2.2
127.07536	2.0
131.08557	4.0
133.06465	2.0
133.10110	13.8
135.08023	4.8
135.11629	1.7
137.06023	1.8
139.03822	1.8
142.07756	1.7
143.08603	2.8
145.10110	5.9
147.11639	2.7
149.09634	2.3
153.05444	3.4
157.10103	2.4
159.08044	2.7
159.11728	2.3
161.09604	2.2
163.07487	2.3
163.11131	2.2
165.05490	3.6
169.10280	2.1
171.08055	2.9
173.09590	12.1
175.07468	2.8
175.11154	4.7
177.05438	1.9
177.09070	5.9
179.07013	2.1
185.13223	2.0
191.06947	5.6
191.10612	7.9
195.11609	2.6
201.09152	2.9
201.12744	2.2
201.30270	1.8
203.10764	2.4
205.08517	4.1
209.07936	3.1
217.12276	2.5
219.10100	31.6
219.11874	2.8
225.12724	2.0
229.12080	2.5
231.13840	1.7
237.11183	32.0
243.13806	3.3
245.11475	2.1
255.13745	2.5
263.12689	5.8
267.13721	3.5
273.14871	1.9
282.12515	1.9
283.13287	3.6
289.14337	4.4
291.13605	2.5
295.13275	2.4
297.15012	3.1
301.14371	3.0
305.18890	2.4
307.15353	7.4
311.19885	3.2
315.15854	5.8
321.18381	7.8
323.19888	2.6
337.17972	12.0
339.19516	42.3
340.19992	5.2
341.21051	6.1
351.19415	7.9
355.19016	8.5
357.20551	100.0
358.21063	8.1
373.20038	10.6
374.20547	2.0
389.24817	13.9
391.21118	7.6
406.25131	3.0
407.25592	7.0
425.26691	10.6
426.27216	3.2
441.26385	11.0
459.27402	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10421	0.9
55.05499	2.8
57.03433	1.8
57.07063	10.1
67.05492	1.7
69.07056	16.3
69.07397	1.8
69.83177	1.8
69.83573	5.3
71.39085	0.9
79.05504	1.1
81.07052	2.4
83.01328	4.0
85.06525	2.2
87.30889	0.7
91.05468	3.0
93.07033	8.9
95.04915	1.2
95.08572	4.3
105.07023	5.2
106.87032	0.8
107.04981	0.8
107.08582	6.4
109.06500	0.9
109.10134	1.6
119.04927	1.9
121.10098	6.1
127.07539	1.3
131.08583	1.4
133.10130	5.3
135.08052	3.3
135.11719	1.1
143.08519	1.3
145.10101	4.0
147.11641	1.4
149.09599	1.5
151.07465	1.0
163.07564	3.1
163.11169	2.0
165.05484	2.8
171.08031	1.5
173.09598	5.4
175.11191	2.3
177.05554	1.3
177.09079	6.9
179.07089	1.3
189.09099	1.2
191.06982	1.2
191.10632	5.6
198.23415	1.0
201.09135	3.4
211.11230	1.2
219.10114	43.1
220.10371	1.5
231.09973	1.0
237.11159	53.3
238.11497	2.0
241.12097	1.3
245.11710	2.4
247.13249	2.1
251.14244	1.1
253.12286	1.0
254.09457	0.9
259.13293	1.5
263.12787	3.6
267.13763	2.2
271.13239	1.9
277.12067	1.6
279.13351	1.1
283.13293	3.9
289.14383	1.8
292.14578	1.0
297.14746	3.4
301.14197	1.3
311.20206	1.1
313.17834	1.5
315.15842	4.0
315.19528	5.3
317.13266	0.9
321.18445	3.7
323.20074	1.0
331.19028	1.9
339.19510	19.5
340.19858	1.3
341.21097	1.7
351.19528	3.0
355.18930	1.5
357.20554	100.0
358.20883	6.4
359.18564	1.0
373.20459	1.0
375.21832	1.1
389.24683	5.6
391.21063	20.3
392.21542	1.2
407.25720	3.2
425.26770	3.0
459.27353	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38036	1.0
57.07068	44.4
60.79982	1.1
67.05480	1.5
69.07056	14.6
69.67059	2.3
69.67464	6.4
71.37486	0.9
73.88325	1.1
79.05493	1.7
81.07043	3.1
83.01344	2.0
85.06533	2.9
91.05461	4.9
93.07020	2.7
95.08596	11.9
97.10173	1.2
105.07018	8.6
107.08580	12.1
109.06458	1.2
109.10126	2.7
112.33773	1.2
119.08588	2.0
121.10131	9.4
131.08563	1.9
133.10109	15.0
145.10089	5.6
147.11703	2.1
151.03899	1.9
157.10153	1.2
165.05490	1.4
165.09100	1.1
165.13344	1.1
169.04944	65.8
171.08054	1.3
173.09610	28.5
175.11177	6.5
177.05444	5.7
183.06487	1.5
191.10683	2.2
193.04906	1.2
195.06488	3.9
197.13264	1.9
201.09045	1.6
209.13278	1.5
219.10103	8.4
225.12761	2.3
229.08543	4.6
229.12178	2.3
233.08098	3.3
237.11015	5.2
241.08542	9.8
241.12177	1.3
243.13841	3.4
246.08780	1.2
247.09639	15.5
253.12422	2.3
255.13760	1.3
261.11121	1.6
265.12143	7.6
271.13263	12.5
283.13287	8.7
283.16132	1.3
283.20313	1.1
287.12820	3.4
288.13470	1.5
289.14304	100.0
290.14624	3.1
293.18909	2.5
307.15356	17.6
311.20044	2.2
321.18417	7.3
321.60989	1.2
339.19525	24.5
357.20566	38.7
358.20749	1.8
371.18286	1.5
373.20062	45.5
374.20331	3.0
375.21576	8.0
391.21130	13.6
441.26266	11.6
459.27487	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.1
57.07072	15.2
65.96847	1.2
67.05495	2.8
69.07059	25.4
70.83155	2.5
70.83521	2.8
79.05484	1.3
81.07050	4.3
83.01337	4.8
85.06545	6.6
91.05475	5.4
92.78378	1.0
93.07022	4.8
95.08607	9.7
105.07023	8.1
107.08582	12.9
109.06506	2.3
109.10143	2.0
119.04940	5.3
119.08553	2.6
121.06503	1.5
121.10125	3.9
131.08540	2.7
133.10112	10.9
135.08055	2.5
139.03853	1.5
145.10106	3.9
153.05493	1.8
157.10110	2.1
159.07979	1.5
159.11623	1.8
163.11208	1.5
165.05545	2.3
169.10097	1.6
171.08083	1.8
173.09607	8.6
175.07597	3.5
175.11176	3.4
177.05431	2.6
177.09087	4.0
191.06915	1.5
191.10651	1.6
195.11818	1.5
197.09740	1.6
197.13200	1.3
199.11270	1.7
201.09142	1.8
209.07990	1.9
209.13362	1.4
211.09599	1.5
215.10637	1.5
219.10071	19.3
220.10536	1.4
221.11716	1.6
229.12354	2.0
233.07957	1.8
237.11154	39.6
238.11499	1.6
239.14331	3.6
249.12849	1.3
253.08687	1.2
253.12024	1.4
258.47610	1.2
259.14890	1.4
260.15967	1.4
263.12854	3.9
265.12021	2.8
265.14474	2.8
267.13824	4.3
275.17749	1.3
279.13745	1.6
283.13254	2.6
285.14929	2.2
292.14444	1.2
293.19168	1.4
295.13223	1.2
297.14890	4.0
301.14465	1.4
305.18988	1.4
311.16229	1.2
311.19974	1.6
313.18222	1.6
315.15881	4.6
321.18329	6.3
323.19919	2.5
333.18552	2.1
337.17435	1.5
339.19485	43.0
340.20013	1.6
341.21039	3.0
351.19446	6.8
355.18951	1.6
357.20551	100.0
358.20901	4.1
361.42307	1.2
373.20187	4.0
389.24600	13.6
389.32498	1.5
391.21161	18.3
392.21188	1.7
400.29565	1.2
407.25830	8.1
425.26846	6.7
441.25940	1.7
459.27826	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
57.03401	2.5
57.07067	91.2
67.05505	5.4
69.03412	2.7
69.07059	27.6
69.67252	21.1
69.67647	6.0
79.05485	4.1
81.07032	8.6
83.01327	3.5
83.04986	4.4
85.06541	8.4
91.05473	8.0
93.07030	8.9
95.04975	2.3
95.08598	10.0
97.06541	5.0
105.07006	55.5
107.08536	12.2
109.06483	5.1
109.10115	5.1
111.04420	26.8
117.06977	2.7
119.08561	6.9
121.06522	4.0
121.10123	9.8
123.08043	3.5
125.05970	4.2
129.07091	3.8
131.08588	4.0
133.10133	7.4
135.11761	2.5
137.05946	4.6
137.09625	2.6
143.08580	4.5
145.10103	33.1
147.11671	7.9
149.05968	13.9
157.10132	5.1
159.08116	3.3
159.11652	4.2
163.07437	3.3
165.09081	7.3
167.10672	23.4
169.04935	18.2
169.10260	2.1
171.08005	5.6
173.09610	16.0
175.11166	3.5
179.07040	4.6
181.04927	5.0
183.10149	10.4
187.11150	3.0
191.07039	10.1
191.10631	30.2
195.10165	3.1
195.11702	4.1
197.13274	3.1
209.08005	6.1
209.11504	3.8
213.12680	3.4
214.09879	5.4
217.01563	2.7
223.02002	2.9
225.12712	4.9
227.10588	3.7
229.12422	3.0
237.11143	4.8
241.08650	3.3
241.12286	3.4
243.13741	8.3
247.09601	4.0
247.13245	3.5
249.14775	5.5
250.15125	4.7
253.10588	5.9
254.12880	2.6
255.13818	13.4
257.11713	2.7
257.15347	10.4
261.14496	2.9
269.15292	10.2
271.13281	5.5
283.13272	3.4
284.88614	2.5
285.14902	5.4
289.14319	36.2
301.14291	3.2
307.15390	9.6
311.19974	36.1
313.17923	3.1
319.15338	5.2
327.19467	19.9
329.21045	68.9
330.21432	3.7
339.19476	10.8
355.19119	6.6
357.20618	29.4
358.20560	3.0
373.20068	100.0
374.20523	4.8
375.21613	21.1
391.21097	94.0
392.21490	7.7
405.23959	3.0
441.26309	14.9
459.27151	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
58.96280	0.4
67.04311	0.3
69.03438	0.6
69.92426	1.6
69.92843	0.7
70.06587	0.9
72.08118	0.4
79.05489	1.0
83.04946	0.4
84.08105	0.3
85.02881	1.0
85.06528	0.9
86.06055	0.6
86.09697	0.5
87.04453	2.0
89.03881	0.7
90.49173	0.3
91.05470	0.9
93.07031	1.0
97.02848	0.6
98.97601	0.6
103.05447	6.4
104.07084	2.6
107.04935	1.6
107.66039	0.3
113.06001	0.9
116.98642	0.5
117.03381	0.5
119.04939	0.9
120.08088	100.0
121.08421	1.4
122.95494	0.3
128.98575	0.5
131.04930	2.1
131.07016	1.8
135.04401	1.3
139.03888	0.5
145.02849	0.7
146.99654	0.7
147.04422	2.6
149.05943	2.4
161.01225	0.5
163.03888	7.9
164.04219	1.1
166.08618	59.9
167.08943	0.6
183.51106	0.4
208.97853	0.4
219.01776	0.6
236.72551	0.4
237.02718	0.5
253.03654	0.4
257.03250	0.4
283.79077	0.4
288.08905	0.4
334.01749	0.4
357.17508	0.4
413.07581	0.7
458.10706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05484	0.7
57.03425	0.8
61.02906	1.0
67.01846	1.6
68.99786	0.6
69.03418	2.5
71.13144	0.5
71.13470	0.8
71.82483	0.5
75.43140	0.5
81.03391	1.9
81.07031	1.0
85.02892	8.4
86.09716	2.5
93.07016	1.1
95.04949	6.0
95.08553	0.6
97.02862	2.9
99.04454	0.9
100.87329	0.4
105.06969	0.7
109.02878	3.9
110.69424	0.4
111.04427	24.6
119.08578	0.5
123.04411	33.9
123.08005	0.6
124.05211	11.2
125.02324	4.1
127.03900	22.5
133.10118	0.8
136.72885	0.5
139.03880	50.0
140.04680	14.3
141.05426	1.6
143.42662	0.4
145.04877	1.8
145.09972	0.5
149.09589	1.2
155.03369	41.1
156.04166	3.2
159.02892	0.6
173.09689	0.6
201.05473	0.6
203.01863	0.5
210.15619	1.4
210.30795	0.5
233.08176	0.6
261.07666	0.6
262.62619	0.5
279.08594	100.0
280.08887	2.1
287.51291	0.4
458.25687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2944
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
55.05518	0.5
55.20737	0.4
57.07067	5.4
58.07385	0.4
67.05472	1.5
69.07059	7.2
69.84547	3.1
70.06569	1.5
71.08594	0.7
71.52594	0.3
79.05491	2.8
80.14334	0.3
81.07052	3.9
83.08589	0.4
85.06535	0.6
88.07601	1.4
91.05457	1.8
93.03382	1.3
93.07050	1.8
95.04936	0.5
95.08582	2.1
95.16874	0.3
102.09151	1.0
103.53628	0.4
105.07018	1.1
107.04960	2.9
107.08572	2.3
107.09212	0.5
109.10144	1.7
112.64335	0.4
119.04939	2.1
119.08543	0.7
121.02818	0.7
121.06473	0.4
121.10101	1.5
123.11691	17.4
127.03881	0.6
127.11120	0.4
131.08591	0.4
135.04338	0.5
135.11662	5.1
139.03862	0.5
147.04396	2.4
147.11665	0.8
149.13274	0.4
151.03915	0.6
163.03867	2.8
165.05457	1.5
167.03381	1.1
173.09602	0.6
175.03885	33.7
175.11208	0.4
176.04134	0.6
177.05487	0.5
181.04944	4.9
189.05457	0.5
193.04942	100.0
194.05373	1.9
195.06493	0.5
200.20071	3.2
201.20384	1.5
205.04904	0.6
207.06419	0.8
207.10109	0.5
211.05922	1.2
219.10141	4.5
229.08517	0.6
231.06473	0.5
247.09613	2.4
249.11197	40.9
250.11607	1.2
273.15240	0.4
283.26331	1.9
284.26624	2.5
285.14761	0.6
297.14835	1.1
303.15897	1.1
315.15860	52.7
316.16089	2.4
317.17407	3.3
333.16919	4.5
341.21170	1.9
358.37405	0.4
369.20538	0.6
371.22192	4.6
383.21960	0.5
456.43933	0.7
457.44455	8.7
461.00702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
56.96557	4.9
57.03430	0.9
60.23608	0.6
60.95845	0.8
61.02907	1.0
65.03903	0.5
67.45452	0.5
69.03428	2.7
70.06576	2.3
71.80654	1.3
72.08120	0.8
73.02892	1.1
74.02410	0.7
79.05465	1.5
81.03408	1.4
84.96043	0.7
85.02895	6.5
86.03212	0.6
86.09702	7.5
87.04453	1.0
87.10041	0.9
88.03960	1.1
89.03909	8.8
90.04232	0.6
91.05464	3.8
93.41922	0.5
95.04950	0.7
95.35483	0.5
97.02885	3.3
98.97572	4.6
98.98459	2.3
100.99084	0.7
104.07107	1.2
105.51720	0.5
107.04949	2.9
109.02884	0.7
110.97564	1.1
111.04384	0.8
114.96767	0.5
115.03924	0.6
116.03457	0.8
116.07086	1.5
116.98631	4.2
117.03376	7.8
118.03698	0.8
119.01850	0.9
119.04932	5.0
122.30738	0.6
123.04414	0.8
124.99148	0.6
127.03873	3.6
128.02327	0.8
128.98587	1.6
130.05040	0.6
131.00142	0.8
132.10193	7.5
134.04454	2.4
134.99658	2.3
135.04402	18.1
135.06708	0.5
136.04721	1.8
136.06166	1.3
139.03842	0.9
143.00113	1.9
145.02835	9.9
145.04939	1.6
146.03181	1.4
146.99611	2.8
147.04391	19.0
148.04738	2.3
148.06032	1.6
149.01096	0.7
152.05727	0.8
157.01729	0.6
158.99658	2.6
159.03299	0.7
161.01216	4.6
161.02602	0.9
163.03888	100.0
164.04230	9.6
165.00687	1.1
170.05167	0.7
170.99596	2.3
175.02827	0.7
175.11897	1.0
177.00742	3.3
177.04280	0.7
181.06503	0.5
182.03372	1.0
185.01167	1.3
189.00667	3.5
191.03868	0.8
192.98535	0.6
200.04411	1.0
201.00656	3.3
203.02251	1.0
207.01865	0.9
211.02708	0.5
213.00752	1.5
219.01718	6.5
220.06133	0.7
221.04976	0.7
231.01614	0.8
237.00616	0.8
237.02748	4.9
238.02971	0.5
243.01678	1.3
249.02782	2.2
250.99953	0.7
255.01537	0.7
259.00806	1.1
261.02814	5.2
267.03857	2.3
272.06580	0.7
273.02850	1.5
277.02130	1.3
278.02512	1.1
278.05350	1.0
279.03876	3.6
281.07074	2.2
281.57184	1.2
287.05954	2.4
291.00974	0.9
291.03763	4.3
296.13153	0.7
302.05478	0.6
309.04898	2.5
315.03839	0.9
316.98355	0.6
321.04898	2.8
333.04880	1.3
351.05734	1.5
368.08102	0.9
381.06888	1.9
387.05814	1.4
399.07791	0.6
401.00424	0.8
413.07114	0.6
419.01593	0.7
458.07370	0.7
458.19342	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.2
57.07068	53.1
67.05497	7.9
69.03412	3.2
69.07058	10.2
70.30745	1.6
71.04992	1.7
71.11626	3.2
71.11973	2.4
79.05478	4.4
81.07063	6.9
83.01341	1.9
83.04968	8.4
85.06527	9.9
88.61103	1.4
91.05483	9.6
93.07040	9.8
95.04966	2.3
95.08592	8.5
97.06509	2.7
105.07014	44.6
105.22482	1.2
107.08575	13.4
109.06499	2.0
109.10126	3.2
117.07000	3.4
119.04878	1.7
119.08556	15.5
121.06477	4.8
121.10118	11.1
121.19333	1.4
123.08035	6.9
128.06241	2.3
129.06984	2.4
130.07773	3.5
131.08531	5.8
133.06464	3.2
133.10069	5.4
135.08032	5.7
135.11676	6.7
137.05931	2.5
137.09581	5.9
139.03825	1.5
142.07736	2.8
143.08531	5.7
145.06432	2.1
145.10107	23.7
147.08040	4.3
147.11668	14.1
149.05954	4.5
149.09598	3.3
151.07549	1.8
153.09027	5.6
155.08493	2.1
157.06477	3.0
157.10110	6.6
159.08084	3.4
159.11682	2.0
161.09619	4.1
163.07570	9.2
163.11162	5.1
165.09082	4.2
167.08374	1.5
171.08020	7.3
173.09598	62.6
175.07545	5.4
175.11172	26.2
177.05527	1.7
177.09091	1.7
181.08522	3.7
183.11665	1.9
185.09578	4.0
185.13321	3.2
187.11102	2.7
189.09058	10.1
191.07025	3.8
191.10704	11.1
193.08591	6.7
196.08859	1.9
197.13245	2.3
199.11143	2.5
201.09044	3.5
202.09888	3.1
203.10522	1.9
203.14267	4.2
205.08582	6.3
206.09183	2.0
207.35432	1.7
209.13129	1.8
211.11197	2.3
213.09082	1.6
213.12724	5.1
217.08568	2.9
219.10144	4.9
219.13742	3.0
221.13359	1.8
221.15349	5.6
223.11253	2.1
225.09143	2.0
225.12729	2.9
229.08582	6.4
231.13776	4.0
233.11719	4.5
239.10716	1.8
239.16432	4.3
241.08566	5.6
241.12233	2.8
245.11612	2.5
247.13364	3.0
248.14055	6.0
249.12300	3.5
249.14830	71.8
250.14995	2.1
253.12064	3.0
257.11749	5.1
267.13708	3.2
267.17679	1.5
269.11560	2.2
281.11682	6.6
281.19028	3.6
287.12671	5.9
291.17349	5.5
293.18988	4.1
295.13275	15.5
297.14621	1.7
299.12906	6.8
299.16034	1.9
303.15720	1.8
309.18451	12.7
310.15491	1.8
311.16364	4.2
311.19940	3.5
313.14337	10.9
327.19348	2.0
337.17935	7.6
353.17435	11.5
355.19009	32.1
365.25348	1.5
371.18478	100.0
373.19946	3.2
377.24692	10.2
389.19635	4.1
393.24292	3.6
395.25763	5.0
413.26788	1.9
421.23685	8.2
423.26181	1.7
439.24814	16.6
457.25824	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2579
Annotation	strongylophorine-26
Peak:m/z	Relative Intensity
51.02348	0.7
53.03923	0.9
54.09395	0.7
55.05514	7.2
57.07069	57.6
57.21246	0.8
66.96614	0.8
67.05511	6.3
67.26672	0.8
69.03416	2.6
69.07053	5.8
71.04960	1.2
71.81343	1.3
79.05502	5.7
81.07033	3.5
82.38365	0.7
83.01321	1.4
83.04979	7.3
83.08611	0.9
85.06536	8.3
91.05463	9.2
93.07032	8.0
95.04950	3.2
95.08591	6.6
95.66577	0.7
97.06531	1.6
103.05475	1.2
105.07020	58.3
106.07348	0.9
107.04945	1.0
107.08575	15.1
109.06487	2.6
109.10129	4.2
109.63183	0.7
115.05461	1.6
117.06997	7.4
118.27746	0.8
119.04910	1.1
119.08572	14.6
121.06477	2.8
121.10136	13.7
123.08066	2.2
123.11626	1.0
125.09627	1.6
127.00663	0.9
127.11169	0.9
128.06192	2.4
129.07007	2.6
130.07767	5.5
131.08569	5.0
133.06485	2.8
133.10095	6.7
135.08029	11.3
135.11644	4.1
137.05954	1.7
137.09615	8.9
142.07726	3.7
143.08562	6.2
145.06502	2.4
145.10104	31.9
147.08029	4.4
147.11674	21.3
149.05984	4.2
149.09601	3.3
149.13315	1.1
153.09119	7.6
153.90215	0.8
155.08519	2.1
157.06477	2.6
157.10109	10.4
158.07262	1.4
159.08061	2.2
159.11684	2.6
161.06021	1.1
161.09593	4.9
162.03220	0.9
163.07529	9.3
163.11208	5.5
165.07034	0.8
165.09099	2.7
165.12723	1.3
168.09431	0.8
169.10086	1.9
170.10895	2.3
171.08043	8.4
171.11655	1.4
173.09601	84.6
173.13075	1.9
174.06793	1.1
174.10022	2.2
175.07611	4.8
175.11168	44.2
175.14755	1.7
177.09097	1.3
179.07057	0.9
180.09308	1.2
181.08611	8.1
181.10120	1.2
183.07967	0.9
183.11613	1.1
185.09615	3.3
185.13272	6.0
187.07518	1.4
187.11174	2.2
189.09090	8.7
189.12706	0.8
191.07034	1.9
191.10649	12.0
191.14365	1.2
193.08578	7.8
193.10164	1.2
193.12218	0.9
193.15858	1.8
197.09676	1.3
197.13257	2.1
198.10439	1.3
199.11206	1.1
199.14827	1.2
201.09122	4.7
201.12762	2.1
202.09908	3.4
203.10677	1.1
203.14343	4.5
205.08577	3.3
205.12186	0.9
206.05701	0.9
206.10953	1.0
207.11823	1.0
209.13249	1.8
211.11194	1.1
211.14854	1.3
213.12764	7.2
215.10725	1.5
215.14296	1.1
217.08531	4.4
219.10143	3.4
219.13774	3.5
221.13223	2.6
221.15361	7.9
224.04424	0.8
225.12796	1.7
227.14369	1.3
229.12172	0.9
231.13788	5.9
233.11618	6.8
235.09431	1.7
237.14714	1.3
239.14265	1.3
239.16362	5.0
241.12207	1.3
243.13799	0.9
247.13332	1.6
248.13948	6.9
249.14835	100.0
250.15215	2.3
251.14244	1.5
257.11612	1.4
257.15533	1.0
263.17950	2.1
265.19574	1.0
267.13803	1.0
276.14883	1.2
277.12167	0.8
279.17130	0.9
281.18948	6.7
291.17416	7.5
293.19104	4.0
295.13461	1.3
295.16827	1.4
297.14523	1.0
303.15860	1.2
307.16614	0.8
309.18475	19.8
310.18954	0.9
311.19992	4.1
319.16742	4.1
327.19635	1.6
337.17966	8.7
339.19751	1.3
349.25308	1.8
355.19006	14.8
356.19272	0.9
367.26498	0.9
371.18741	1.9
373.20071	4.6
375.23303	3.3
377.24741	11.3
381.21124	0.9
385.21838	0.8
389.19623	4.2
393.24396	4.6
393.65570	0.9
395.25699	8.1
397.24017	1.0
403.22659	2.2
411.25217	1.4
413.26767	1.7
421.23712	12.3
422.24136	1.0
439.24759	20.0
457.25745	22.4
457.31665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03437	0.4
57.07064	3.5
59.04974	0.4
61.01139	3.2
67.05493	0.8
68.99795	0.4
69.03400	0.6
69.85287	1.6
69.85712	0.8
72.04508	5.6
73.02887	0.6
78.03783	8.1
79.05492	0.8
81.04748	0.4
85.02895	0.5
85.06525	2.2
88.02209	3.2
91.05465	1.4
93.07040	0.5
95.04961	1.2
95.08609	0.3
98.02408	0.4
98.20687	0.5
99.05575	1.1
102.03752	12.7
103.02161	0.5
105.07020	2.2
107.04939	0.4
109.06496	0.8
113.06006	1.0
114.03745	1.0
115.05436	2.7
119.08588	0.4
120.04768	1.5
123.04429	5.8
124.07597	0.6
127.04047	0.4
127.07610	0.4
130.08641	0.5
131.06355	8.2
132.04768	8.3
133.06454	3.3
137.02333	0.4
137.05959	1.3
141.06552	0.5
142.08626	1.9
147.11722	0.4
149.07423	84.8
150.44228	0.4
151.07509	2.0
153.01813	0.6
159.05850	1.8
161.05965	31.5
164.04672	1.6
175.05347	0.7
179.07011	100.0
180.07359	1.4
184.09660	1.1
193.04935	2.1
208.11597	0.3
231.11731	0.4
243.11589	1.0
250.10739	1.3
261.12662	32.6
262.12775	0.5
277.10733	1.8
279.13751	2.9
295.11801	0.4
326.12576	0.4
327.13669	7.7
439.18958	4.9
457.26215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41267	0.2
55.05504	1.7
56.07266	0.2
57.07067	13.6
58.06567	1.2
63.66994	0.3
67.05501	1.7
69.07057	2.6
70.06583	12.1
71.08623	9.0
72.08137	0.3
73.02880	1.1
73.70743	0.3
79.05436	0.3
81.07036	2.2
83.08598	1.4
85.06520	0.5
85.10172	3.3
87.04446	0.3
88.07619	16.4
91.05426	0.3
93.07021	0.6
95.08603	3.0
97.10132	1.1
98.21474	0.6
102.09168	11.0
105.60170	0.3
106.08622	0.7
107.08543	0.7
109.10094	1.1
119.08533	0.4
121.10094	1.0
123.11709	0.5
128.88704	0.3
135.11635	0.6
156.17445	0.5
165.09082	0.3
173.09554	0.4
174.18535	0.3
177.05548	0.4
200.20067	45.2
201.20425	1.4
218.21078	3.6
233.11546	0.4
283.26291	49.1
284.26657	1.0
317.17401	0.8
340.32126	0.3
409.54376	0.3
456.28119	3.0
456.44073	100.0
457.44360	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	456.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22315	2.5
55.05506	6.5
57.07059	11.8
60.04515	2.8
62.63160	2.6
67.05492	13.0
69.07058	22.9
69.60926	26.9
70.06580	4.8
71.08607	7.0
79.05476	12.1
81.07047	100.0
83.08618	4.4
85.10163	2.9
88.07609	6.9
93.07042	15.4
95.08600	41.4
97.10138	3.3
102.09160	6.1
105.06995	6.9
107.08583	13.6
109.10130	22.6
119.08556	4.7
121.10141	11.3
123.11692	10.1
135.11665	6.2
137.13248	5.2
141.05432	7.9
143.96269	2.8
149.13249	12.6
151.07565	3.3
165.05399	3.3
167.07024	46.7
176.59991	2.9
181.08574	2.9
200.20042	30.6
207.10268	6.6
219.10045	4.8
221.11717	3.1
221.86024	2.7
222.59879	2.8
275.16525	8.3
283.26358	26.9
456.44089	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01859	8.3
55.05487	1.6
55.08469	0.8
57.03152	1.4
57.03422	16.4
57.07059	1.7
59.04982	1.9
61.02912	12.1
67.05479	1.9
69.03040	1.5
69.03417	27.0
69.07050	1.1
71.01324	3.4
71.04984	1.9
71.81393	1.6
72.04488	0.9
72.15546	0.8
73.02904	31.1
73.86897	0.7
75.04461	0.9
79.05456	0.9
81.03406	5.3
81.07032	2.4
83.04994	1.3
83.08569	1.0
85.02891	100.0
87.04439	3.9
89.10068	0.9
91.03941	5.2
91.05445	1.7
93.07017	1.8
95.04956	1.5
95.08556	1.3
97.02876	40.0
97.10178	1.0
99.04443	5.4
103.03900	2.6
105.06996	1.7
109.02856	7.3
109.10106	1.5
114.05544	1.4
115.03912	16.2
125.05968	0.8
127.03891	31.9
129.05608	0.8
131.08488	0.8
132.06482	1.3
133.04947	22.3
133.10101	1.2
135.08211	1.0
137.22876	0.8
145.04938	59.7
145.10112	2.8
150.07579	3.5
151.03857	0.8
153.05443	1.2
163.05989	22.0
171.76172	0.9
175.11154	1.9
177.05505	1.1
178.55919	0.8
184.16805	0.9
184.36676	0.8
190.11392	0.8
193.04855	0.9
195.06528	1.9
199.05975	1.4
203.09027	0.9
223.05942	2.5
231.06493	1.6
241.07016	3.2
245.13628	0.8
251.12927	1.0
259.08145	3.7
295.10300	1.2
307.21039	1.8
384.99857	1.0
421.18430	1.7
456.27164	1.5
457.25690	1.2
474.68954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89973	0.6
53.03940	1.5
53.95081	0.5
55.01860	1.9
55.05496	1.3
57.03429	1.4
57.07065	14.6
59.04990	100.0
60.05323	0.7
61.02918	1.9
68.99786	1.1
69.03421	7.3
69.07063	0.9
70.16383	3.0
71.04984	1.3
73.02906	1.9
73.15241	0.5
81.03399	5.4
83.01336	0.6
85.02895	20.8
85.06519	1.0
87.00813	9.1
93.07025	0.6
95.08575	0.7
95.44229	0.6
97.02874	6.4
97.10191	0.7
99.04452	3.0
101.09644	0.9
105.01842	6.4
105.07028	1.1
105.16837	0.5
107.08620	0.7
109.02857	5.3
113.73846	0.5
115.03930	1.5
115.11187	32.0
116.21202	0.5
117.01857	0.9
117.09072	1.3
119.08640	0.6
123.04501	0.6
127.03888	9.2
129.01866	0.8
133.10147	0.8
133.53096	0.6
145.04948	4.5
157.33829	0.7
159.02867	2.4
173.15346	5.8
173.39777	0.7
191.16389	77.3
192.16714	1.0
231.04909	1.8
248.48210	0.6
303.65723	0.6
304.11569	0.6
311.08783	1.1
391.16592	0.6
456.22729	1.1
456.32770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34751	1.2
52.24084	1.2
55.01861	11.0
55.05500	3.9
55.30775	1.2
57.03162	2.5
57.03424	25.8
57.07069	19.6
57.99089	1.6
58.16805	1.6
59.05008	3.0
60.04498	2.0
61.02914	16.1
67.05476	3.9
68.72909	1.2
69.03416	36.0
69.07076	2.9
70.06568	3.1
71.01332	4.5
71.04995	3.1
71.07938	1.5
71.79163	3.1
73.02905	100.0
79.05478	4.6
81.03422	7.9
81.07044	4.6
83.04967	2.2
83.08064	1.3
83.08603	2.8
84.04480	2.5
84.08150	1.7
85.02891	81.6
86.06054	4.6
86.09695	2.5
87.04465	7.5
91.03920	3.2
91.05470	3.4
93.07029	6.3
95.04964	3.0
95.08600	5.8
96.04478	2.0
97.02875	61.1
97.06523	3.2
99.04459	5.7
99.08082	2.0
99.11713	4.2
100.11219	2.3
103.03912	3.9
105.03385	1.9
105.07016	4.0
107.04930	1.8
107.08583	2.5
109.02872	5.2
109.06521	2.7
109.10139	1.9
111.04432	1.4
115.03913	42.9
119.08566	3.3
121.06535	2.2
121.10100	3.8
123.04404	3.9
123.08051	4.1
125.09619	1.7
127.03893	33.9
127.11161	7.0
131.08575	2.3
133.04941	56.8
133.10114	2.4
135.04318	1.6
135.07997	1.9
139.03891	3.0
139.11209	1.6
144.06511	4.1
145.04939	44.5
145.10138	2.4
145.12209	6.6
150.07602	6.0
151.03871	3.9
156.06497	2.7
156.13838	2.2
162.07684	2.5
163.06032	14.7
167.07072	1.6
173.09666	2.4
177.16211	1.3
180.07262	1.8
180.08696	4.4
191.14104	1.9
193.05104	1.6
199.05934	2.5
217.07036	1.9
223.05957	7.3
226.08496	1.4
241.07056	6.6
259.05798	1.7
259.08167	9.4
259.15372	7.3
277.09085	1.9
289.16422	5.5
294.11877	2.2
295.10043	2.6
312.13138	1.6
331.12891	9.8
438.20352	4.7
439.19003	2.0
455.29431	1.4
456.22308	5.8
456.36102	2.6
457.14719	2.8
457.20197	18.6
457.25134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45735	0.4
53.03907	0.6
55.01846	0.6
55.05480	0.7
55.18089	0.5
56.05028	3.3
56.99039	0.4
57.03399	1.4
57.07070	5.0
61.02917	2.2
67.05460	1.4
69.03416	5.5
69.60128	0.7
69.60542	3.2
70.06567	0.8
71.04965	0.7
73.02880	1.1
74.02429	2.5
81.03412	2.3
81.07003	0.8
82.06577	3.3
83.13914	0.4
84.04482	0.5
84.08146	0.4
85.02897	11.3
86.09671	0.9
87.04430	1.0
91.03931	0.6
91.05429	0.7
95.08549	0.4
96.08105	0.6
97.02880	4.6
99.04418	0.8
107.04900	1.0
109.02849	1.4
109.06487	2.3
109.10109	0.5
111.04376	0.7
121.06484	0.8
123.04395	1.5
124.07586	6.2
127.03901	2.5
128.07054	3.0
131.08530	1.0
135.04385	0.5
137.05978	3.9
144.08098	2.5
145.04889	1.1
145.06464	0.5
145.12128	0.6
147.08003	1.0
149.06004	3.2
149.09570	0.7
158.09644	1.2
159.08028	4.7
162.09109	0.8
162.78168	0.4
173.09628	0.5
174.09100	0.5
175.07455	1.2
177.09052	1.2
179.10649	23.7
180.10957	1.1
180.26584	0.4
186.09042	0.6
191.10596	1.5
192.10184	0.8
203.10716	0.5
204.10193	1.2
205.12213	10.7
206.12523	0.6
209.04497	1.2
215.14308	6.3
221.15329	0.8
231.13768	3.4
232.16963	3.5
233.15291	3.3
233.17249	0.5
248.16431	18.4
250.18016	1.7
259.13364	1.0
267.45529	0.4
277.14380	1.6
294.16965	100.0
295.17297	5.1
298.47134	0.5
303.04971	1.0
306.13425	0.5
324.68839	0.4
415.98236	0.6
456.22241	34.3
457.22482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45735	0.4
53.03907	0.6
55.01846	0.6
55.05480	0.7
55.18089	0.5
56.05028	3.3
56.99039	0.4
57.03399	1.4
57.07070	5.0
61.02917	2.2
67.05460	1.4
69.03416	5.5
69.60128	0.7
69.60542	3.2
70.06567	0.8
71.04965	0.7
73.02880	1.1
74.02429	2.5
81.03412	2.3
81.07003	0.8
82.06577	3.3
83.13914	0.4
84.04482	0.5
84.08146	0.4
85.02897	11.3
86.09671	0.9
87.04430	1.0
91.03931	0.6
91.05429	0.7
95.08549	0.4
96.08105	0.6
97.02880	4.6
99.04418	0.8
107.04900	1.0
109.02849	1.4
109.06487	2.3
109.10109	0.5
111.04376	0.7
121.06484	0.8
123.04395	1.5
124.07586	6.2
127.03901	2.5
128.07054	3.0
131.08530	1.0
135.04385	0.5
137.05978	3.9
144.08098	2.5
145.04889	1.1
145.06464	0.5
145.12128	0.6
147.08003	1.0
149.06004	3.2
149.09570	0.7
158.09644	1.2
159.08028	4.7
162.09109	0.8
162.78168	0.4
173.09628	0.5
174.09100	0.5
175.07455	1.2
177.09052	1.2
179.10649	23.7
180.10957	1.1
180.26584	0.4
186.09042	0.6
191.10596	1.5
192.10184	0.8
203.10716	0.5
204.10193	1.2
205.12213	10.7
206.12523	0.6
209.04497	1.2
215.14308	6.3
221.15329	0.8
231.13768	3.4
232.16963	3.5
233.15291	3.3
233.17249	0.5
248.16431	18.4
250.18016	1.7
259.13364	1.0
267.45529	0.4
277.14380	1.6
294.16965	100.0
295.17297	5.1
298.47134	0.5
303.04971	1.0
306.13425	0.5
324.68839	0.4
415.98236	0.6
456.22241	34.3
457.22482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45934	0.6
52.36845	0.6
52.75680	0.5
53.03926	0.8
55.01867	3.2
55.05493	1.2
56.61063	0.5
57.03426	5.3
59.04986	2.3
61.02918	3.5
65.23092	0.6
67.05476	1.4
69.03416	8.6
69.07057	16.7
70.06578	0.9
71.04975	2.5
71.37500	1.5
72.08136	1.1
73.02911	1.2
73.06573	0.8
79.05486	2.3
81.03413	4.2
81.07048	1.2
84.08069	0.7
85.02892	36.7
85.06545	0.9
87.04459	1.4
87.08121	0.7
91.03929	1.8
91.05456	1.0
93.07071	0.8
95.04963	1.6
96.37653	0.7
97.02879	10.7
97.06519	32.6
97.15473	0.6
98.07304	0.7
99.04439	2.5
99.08084	14.9
103.03911	0.6
104.07065	1.1
109.02892	2.9
109.06519	1.7
113.05995	4.2
115.03889	1.1
115.07554	100.0
116.07848	0.7
117.35403	0.6
119.04922	1.6
121.06493	1.2
123.04406	0.9
125.06013	0.7
126.93774	0.6
127.03910	10.0
127.07537	1.4
132.00414	0.7
132.10252	0.7
137.06007	0.9
139.07509	2.6
143.07123	0.8
145.04944	11.0
147.04379	4.7
149.09566	1.1
150.05496	2.2
151.07523	1.0
157.05049	0.6
157.08632	0.7
159.08005	0.6
162.05481	2.5
163.03860	2.0
163.06018	1.9
163.07518	1.5
170.48125	0.6
177.08974	0.8
181.08627	1.1
183.44478	0.5
193.08595	0.7
199.09496	0.7
204.08374	0.6
205.03522	0.9
205.08528	1.1
213.11185	2.1
223.09685	2.2
241.10712	5.0
259.11740	13.1
277.12790	27.3
278.13049	0.7
294.08286	0.7
456.13388	0.9
456.20901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.07066	4.4
67.05499	2.1
69.07049	1.7
69.99892	2.7
81.07031	1.7
85.06541	0.7
89.06070	0.5
91.05466	1.2
93.07027	1.8
94.03915	0.5
95.08598	2.0
104.13920	0.4
105.07034	1.1
107.08579	1.3
109.06526	0.6
109.10150	2.6
117.06988	0.5
119.07852	0.4
119.08552	2.3
121.10175	2.3
131.01947	0.5
131.08592	0.8
133.10107	1.4
134.81418	0.6
135.11676	1.1
137.09602	1.4
143.08496	0.5
145.10114	1.3
147.08063	0.6
147.11681	1.4
149.05707	0.5
150.06511	1.7
151.11047	0.5
157.10123	0.5
159.11650	0.5
161.13196	0.8
163.11092	0.5
165.09094	4.1
173.09560	2.1
173.13354	0.5
177.16255	0.6
178.09601	1.6
189.08978	0.5
200.19930	0.5
201.16231	0.6
205.08316	4.5
213.16222	0.4
231.09924	0.5
231.13715	0.8
233.15454	0.7
247.16791	1.5
253.15938	0.9
271.13327	0.5
283.26205	0.7
285.18558	0.5
311.19778	0.9
323.16150	0.6
329.20828	1.0
339.19507	0.8
355.18900	0.7
369.20413	3.0
387.21390	2.3
405.23944	0.4
419.65433	0.4
423.25311	1.2
437.26050	0.8
449.32150	0.5
455.27628	100.0
456.28085	4.1
456.43677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80627	0.4
56.96552	0.7
62.77392	0.4
71.76620	0.9
75.59005	0.5
82.99829	0.5
85.67914	0.5
101.00866	0.9
104.94884	0.4
112.89589	50.8
114.89308	2.3
119.01907	3.7
131.01915	1.1
143.01848	3.2
145.03474	1.6
157.03520	1.0
161.02933	13.2
169.03415	3.7
170.94237	0.6
171.05032	1.8
173.02933	1.5
174.79842	0.4
185.02968	1.0
187.04498	5.6
188.04741	0.5
197.02946	1.8
203.03981	5.2
212.84863	0.7
215.03973	3.0
221.05038	1.4
222.98927	0.7
229.05746	0.5
239.06129	1.1
263.06082	18.0
264.06378	0.6
268.98291	0.5
275.06073	22.3
289.07693	1.5
291.05646	0.9
293.07080	2.0
305.07184	1.0
316.08768	0.7
335.08139	1.4
377.09415	1.3
381.07797	1.1
395.10275	2.6
415.94241	0.6
455.11563	100.0
456.11688	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	453.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45290	0.7
56.41010	0.7
69.07061	1.2
69.75169	1.1
69.75570	4.9
78.56282	0.7
81.07050	1.1
89.06031	1.4
93.07031	1.2
95.08601	0.7
133.08517	0.9
213.25711	0.6
235.19229	0.7
240.15318	0.8
247.05783	7.0
248.06604	2.6
261.07321	1.2
297.11053	1.6
299.91068	0.6
317.13635	1.3
327.15784	0.7
334.78970	0.8
341.20813	1.9
367.18753	1.0
377.20822	1.7
385.19882	2.8
397.19785	10.4
407.52832	0.8
409.26923	0.7
417.24005	9.5
435.25064	24.6
436.25546	1.5
453.26065	100.0
454.26627	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	454.2923
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05503	2.6
57.03438	2.8
57.07069	19.2
62.06083	25.0
67.05494	4.3
69.07056	3.3
70.44125	2.2
71.08250	1.0
71.08620	13.6
79.05495	0.5
81.07043	5.3
83.08621	3.3
85.10178	7.4
86.78529	0.5
95.08589	8.6
96.66820	0.5
97.10162	2.0
98.98460	4.9
99.11720	0.7
107.08569	0.6
109.10149	3.6
112.77243	0.5
115.04612	0.5
117.09120	0.6
123.11685	2.1
124.01570	0.8
135.11499	0.5
142.02608	1.2
155.01031	4.8
160.37579	0.5
173.02161	0.7
198.05196	1.9
215.10735	0.6
216.06322	2.5
239.23613	1.2
242.95241	0.5
275.12866	0.6
282.27902	10.6
292.11188	0.6
293.13803	1.2
313.27325	100.0
314.27621	1.6
393.23987	6.7
436.28317	4.0
454.29034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.64162	0.5
67.05493	0.9
67.65979	0.3
69.07068	2.0
70.98435	1.2
81.07021	1.2
89.06009	1.8
89.72675	0.4
90.06358	0.5
91.05487	0.5
93.07002	1.2
95.08579	1.2
100.96833	0.4
107.08605	0.7
109.10134	1.1
116.81782	0.4
121.10133	0.9
123.11669	0.7
127.24092	0.4
130.16037	0.4
133.08606	0.8
135.04141	0.7
135.11688	0.7
163.03654	0.4
219.06255	1.0
239.14792	1.2
240.15378	0.9
247.05724	6.9
248.06462	2.8
261.07263	0.9
271.13037	1.0
283.09314	0.4
285.11475	0.5
285.14780	0.4
288.08347	0.7
295.13269	0.8
297.10965	1.8
317.13666	0.7
341.20859	2.3
343.20267	0.4
366.18021	0.9
367.18939	0.9
377.20737	0.6
383.17905	1.0
383.22229	0.9
385.19711	3.9
395.25922	0.5
397.19864	11.1
398.20068	0.6
409.26886	0.7
417.23944	9.7
418.24969	0.5
435.25043	24.6
436.25464	1.6
453.26068	100.0
454.29343	4.2
454.36923	0.6
454.38153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02390	0.4
53.03934	0.8
55.01861	1.7
55.05519	0.5
56.96558	0.4
57.03424	1.9
61.02919	2.2
65.03931	1.0
67.01823	0.4
67.05502	1.5
68.99795	1.2
69.03420	7.4
70.06583	0.6
71.04974	0.6
71.77062	0.3
71.77431	0.5
73.02913	1.4
74.06025	0.4
81.03407	2.3
81.57588	0.3
83.04964	1.1
84.08147	1.3
85.02896	20.7
87.04465	0.6
91.03943	0.7
91.05476	1.0
93.03412	0.5
95.04951	2.0
97.02884	6.6
99.04446	1.1
100.40898	0.3
103.03934	0.3
107.04942	1.1
109.02862	2.3
111.04435	2.5
119.04934	4.3
121.02856	0.5
121.06472	0.4
123.04415	54.7
124.04716	0.5
125.09591	0.5
127.03902	4.7
132.08401	1.5
132.10184	0.6
135.04402	2.6
137.02341	0.5
137.05943	0.9
139.03883	100.0
140.04582	0.5
141.05023	0.5
143.04900	0.5
144.08037	0.6
145.04929	2.8
147.04387	15.6
149.06006	0.4
151.03870	3.6
153.05461	1.9
161.05992	2.1
163.03899	4.3
165.05466	16.1
169.04930	1.4
177.05418	0.7
179.07047	0.9
181.04903	1.4
189.05475	2.0
190.10500	0.3
191.03404	0.8
199.05962	0.7
203.07072	0.5
205.04962	0.9
207.06519	2.6
231.06479	0.6
247.06012	0.5
273.07507	4.9
273.12228	0.7
291.08606	17.2
291.13428	0.7
291.16821	0.6
291.19559	0.5
301.06897	0.8
314.04440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1389
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02378	0.4
53.03942	0.9
55.01851	1.6
57.03429	1.5
59.04993	0.3
61.02918	1.9
65.03937	1.1
67.05494	1.0
68.99787	1.4
69.03415	7.7
69.95212	0.3
71.01352	0.3
71.04977	0.7
71.80296	0.5
73.02898	0.9
73.73207	0.4
74.46709	0.3
79.05496	0.6
81.03407	2.6
83.04980	0.7
85.02898	19.8
87.04471	0.8
91.03960	0.5
91.05454	3.2
93.03392	1.1
95.04977	2.1
97.02877	5.7
99.04434	1.1
100.65645	0.3
105.03374	0.4
105.07040	0.3
107.04947	1.4
109.02863	1.9
111.00815	0.8
111.04450	2.7
119.04927	8.4
120.05228	0.4
123.04414	54.3
124.04756	1.2
127.03896	5.3
132.45753	0.3
132.46727	0.3
135.04381	2.7
137.02306	0.6
137.05927	1.1
139.03883	100.0
140.04236	1.3
143.04880	0.6
145.04918	3.1
147.04390	29.1
148.04736	1.2
151.03877	3.8
153.05470	2.1
161.01231	0.3
161.05965	2.3
163.03912	3.4
165.05467	13.2
169.04956	1.1
169.06287	0.3
175.03801	0.4
177.05412	0.4
179.06976	0.8
181.04924	1.0
188.07062	0.8
189.05481	1.5
203.03505	0.5
205.04947	0.6
207.06473	2.4
218.97324	0.5
231.06465	0.7
236.98506	0.7
237.00803	0.5
247.05884	0.6
255.01703	0.7
255.06528	0.4
260.98465	0.4
271.00708	0.3
273.02698	0.7
273.07498	5.2
278.99454	0.4
287.00085	0.7
291.08578	16.0
292.12781	0.8
303.08612	0.6
313.06442	0.6
347.01987	0.4
393.02533	1.2
436.73291	0.4
453.10913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1387
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02382	0.7
53.03925	1.3
55.01861	1.6
57.03435	1.2
61.02911	1.7
64.08160	0.5
65.03921	0.6
67.05483	1.3
68.99789	1.5
69.03424	3.7
70.06573	0.7
71.04977	1.1
71.81127	0.6
71.81509	0.6
79.05457	0.6
81.03397	2.5
81.07027	0.5
83.04954	0.9
85.02900	13.3
85.52941	0.6
87.04498	0.5
91.03929	0.6
91.05477	1.2
93.03394	0.7
95.04965	1.5
97.02877	4.9
99.04444	0.9
99.11355	0.4
103.03907	0.6
105.03350	0.5
105.07051	0.6
107.04935	1.3
109.02859	1.7
111.04423	2.5
119.04919	3.5
121.02859	0.9
123.04415	53.6
123.15955	0.5
127.03932	2.6
135.04381	1.7
137.02295	0.9
137.05943	2.0
139.03885	100.0
140.04256	1.4
143.04893	0.9
145.04922	2.3
147.04395	15.0
149.05927	0.5
151.03896	5.5
159.04340	0.5
161.05956	3.6
163.03882	9.9
165.05470	13.2
169.04945	1.3
173.06003	0.6
175.03932	0.7
177.05434	1.4
179.06978	1.6
181.04910	3.7
189.05519	2.2
191.03317	0.8
193.04878	0.6
200.72552	0.5
201.05414	0.7
205.04967	4.2
207.06465	3.4
215.06960	0.5
217.04887	0.8
229.04910	1.1
235.05972	1.4
243.06300	0.5
247.05954	1.8
249.07483	1.3
265.07184	1.0
271.05783	0.5
273.07556	5.3
283.08112	1.6
285.07581	1.5
291.08588	26.4
292.08783	0.5
297.07648	1.4
297.75467	0.5
301.09518	2.3
303.08591	1.2
315.08533	1.1
319.32382	0.5
339.08511	0.7
357.09537	0.9
399.10681	0.6
435.11282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
52.79757	0.3
53.03935	0.6
55.01865	2.0
67.05486	1.0
68.99748	1.8
69.03410	0.9
70.04538	0.8
70.04957	1.4
70.87573	0.3
71.04980	0.4
74.48629	0.3
77.03931	0.5
79.05497	2.2
81.03392	1.0
85.02879	0.4
89.03911	1.0
90.25905	0.4
91.05470	2.0
93.03391	1.1
95.01305	0.4
95.04948	2.0
97.02865	0.4
99.86027	0.3
103.05450	0.6
105.03366	0.9
105.07039	0.7
107.01318	0.4
107.04947	4.2
109.02865	1.1
111.04420	1.2
115.05423	1.7
117.03351	1.5
119.04922	6.2
121.02853	0.6
123.04414	47.9
124.04743	1.3
125.05997	0.3
125.75370	0.3
127.03841	0.8
128.79170	0.3
131.04938	2.5
133.06441	0.6
135.04398	13.6
137.02325	26.0
137.03304	0.9
137.05914	0.6
139.03877	3.1
141.01839	0.4
143.04901	1.5
145.02843	2.3
147.04390	19.0
148.04703	0.5
149.05931	0.8
149.46667	0.3
151.03897	0.7
153.01814	0.7
153.05418	0.6
159.04382	0.7
161.05965	6.8
163.03882	27.6
164.04205	1.1
165.01807	2.4
165.05461	11.9
165.06541	0.2
171.04362	1.0
173.05934	1.0
175.03912	1.2
175.07526	0.5
177.05449	1.6
179.03377	2.9
179.06972	2.6
183.02853	1.8
185.05899	0.8
187.03903	2.4
189.05396	2.2
191.03366	100.0
192.03700	2.7
195.02870	0.8
197.05949	0.4
199.03848	0.9
201.05421	0.4
203.03349	5.6
203.06973	0.6
204.03688	0.5
205.04897	2.5
207.02863	1.4
207.06491	6.4
207.08284	0.6
213.05386	1.7
215.03403	2.3
217.04922	1.1
219.49684	0.4
221.04449	4.8
225.05360	0.5
229.04900	0.7
231.06537	0.6
233.04431	2.2
241.04874	1.7
243.02888	1.3
247.06042	1.3
249.04108	0.4
249.07483	0.7
259.05972	7.0
259.08798	0.5
271.05972	3.8
273.07535	0.9
283.05908	0.8
285.07336	0.4
289.06931	1.3
291.08478	0.8
297.07349	0.6
301.07022	28.0
302.07327	1.3
307.06189	0.5
313.07010	12.4
314.07297	0.7
317.06613	4.6
317.10147	0.4
322.58356	0.4
325.07037	1.8
343.08072	45.9
344.08496	2.7
393.09015	0.4
411.10703	6.0
412.11157	0.5
435.10742	3.3
453.11816	4.2
453.17560	0.4
453.34256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05505	5.3
57.02298	0.7
67.05499	2.1
68.97098	0.8
68.99784	2.3
69.03391	1.3
69.07053	1.1
69.67628	7.4
71.04965	1.2
73.83130	0.7
79.05477	3.3
81.03402	2.6
81.07058	1.9
82.06572	1.8
83.04959	1.9
83.08598	3.6
85.02875	1.5
85.06535	1.1
89.03900	1.6
91.05470	4.1
93.03398	4.2
93.06998	1.0
95.04959	4.1
95.08572	0.9
97.06516	2.2
98.06821	0.8
98.20741	1.9
100.07603	2.4
100.11242	20.5
105.03384	2.4
105.07011	1.9
107.04949	6.2
109.02859	1.8
110.06027	1.3
111.04426	4.6
115.05457	1.4
117.03358	2.3
119.04932	8.6
121.02839	1.3
121.10085	1.0
123.04412	69.9
123.17850	0.8
124.04758	1.4
127.03915	1.5
128.07086	2.0
131.04906	1.5
131.08594	0.7
133.06500	1.1
135.04401	16.1
136.41057	0.9
137.02322	57.6
137.05901	1.2
139.03911	3.0
140.07060	1.1
143.04933	1.5
145.02827	4.4
145.06476	1.2
147.04395	23.7
149.05971	1.1
151.07477	0.9
153.01781	5.5
161.02473	1.1
161.05949	9.8
163.03886	37.8
165.01810	6.1
165.05479	14.3
169.06564	0.8
171.04419	2.4
175.03941	0.9
177.01813	1.4
177.05449	1.9
179.03395	4.4
179.07042	3.5
182.15373	10.2
183.02826	5.4
184.07208	1.1
185.06000	0.8
187.03912	2.8
189.05397	4.5
191.03369	100.0
192.03719	2.2
195.02905	1.8
197.06059	1.2
199.03970	1.0
203.03375	3.7
205.04898	2.1
207.02826	2.4
207.06506	9.3
209.16579	3.8
210.14862	11.4
213.05464	2.1
213.17830	2.2
215.07053	0.9
217.04889	1.8
221.04448	1.8
226.19144	1.7
227.17580	1.3
228.15910	0.9
231.06596	5.2
233.04396	1.5
241.04962	2.9
243.06671	1.1
247.06007	3.3
253.04869	1.2
256.16412	1.1
256.31812	0.8
259.06027	11.4
259.09528	1.7
260.09769	1.3
261.10208	2.0
271.05960	12.6
276.72800	2.4
283.05792	1.4
289.06870	2.0
291.04959	1.6
291.08658	1.2
291.12100	0.9
291.15817	0.9
299.05515	1.4
301.07022	56.4
302.07413	2.6
313.07025	42.1
314.07248	2.3
317.06531	14.7
325.07172	1.9
326.27847	1.5
336.22751	0.9
340.25974	1.3
340.76367	0.9
343.08069	21.8
343.30658	3.2
389.81067	5.4
390.31284	1.6
393.09625	2.5
411.10757	12.4
435.10818	4.1
435.33331	1.3
444.33798	5.5
444.83713	2.1
451.72421	0.9
453.11710	5.0
453.20959	1.1
453.34128	7.6
453.84442	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	453.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.00301	0.7
53.86975	0.6
55.01851	2.7
55.05482	1.2
55.09052	0.7
56.31590	0.6
56.72198	0.6
57.03417	0.9
61.71534	0.6
63.68821	0.6
65.03933	1.0
67.05487	2.4
68.99764	1.3
69.03416	1.3
69.07051	0.9
70.06565	2.0
71.04968	2.5
71.77423	0.9
77.03932	0.8
79.05492	3.5
81.03399	1.5
81.07043	1.7
83.08590	0.7
85.02910	3.5
86.03217	0.7
89.03889	1.4
91.05472	3.7
93.03385	2.8
93.07030	1.3
93.53247	0.6
95.04966	4.3
95.08566	1.3
97.02862	1.9
97.06510	1.2
99.04409	1.0
100.11229	2.9
105.03391	1.2
105.05827	0.6
105.07030	0.8
107.04941	4.1
107.08595	1.1
109.02867	1.2
111.04445	1.5
115.05444	1.3
117.03374	1.9
119.04930	7.7
121.02864	1.3
121.10084	0.9
123.04417	59.7
124.04726	1.0
127.03916	1.5
131.04916	1.8
133.06490	0.9
133.10100	1.0
135.04395	14.4
137.02322	38.2
137.05957	1.8
137.90514	0.7
138.06311	0.8
138.09090	1.1
139.03877	4.7
141.07047	0.8
143.04874	2.3
145.02834	3.5
147.04388	20.3
148.04677	0.9
149.05942	1.8
151.03867	1.2
151.07512	1.0
153.01782	1.7
153.05507	0.9
161.05974	7.1
163.03889	32.6
165.01791	4.3
165.05466	12.7
167.07022	1.6
169.06400	1.1
171.04375	0.9
173.05914	1.6
175.03865	1.5
175.07536	0.9
177.01918	0.7
177.05415	1.6
179.03502	3.3
179.07074	2.5
181.04906	1.7
182.15320	1.1
183.02951	3.5
185.05876	0.9
187.03870	2.4
189.05434	2.3
191.03371	100.0
192.03773	2.6
195.02916	1.1
197.05887	1.0
199.03932	1.0
201.05473	0.8
203.03349	5.1
205.04971	3.3
207.02890	2.1
207.06523	6.5
209.08044	0.8
210.14890	0.9
213.05389	1.6
215.06984	1.3
217.04895	1.1
221.04382	4.4
227.09087	1.5
229.04803	0.8
231.06627	0.9
233.04376	2.4
233.08075	1.9
241.04987	1.9
247.06154	1.4
249.07556	0.8
253.04811	0.9
259.05966	7.9
261.10248	0.7
271.05939	8.3
273.07507	1.1
283.05945	1.4
283.12695	0.7
289.07056	0.7
301.07040	39.4
302.07294	1.3
305.05402	1.3
306.05820	1.2
307.06131	2.3
313.07059	24.3
314.07434	1.3
317.06555	9.5
325.07031	1.9
326.27679	0.7
343.08087	34.0
344.08389	1.6
393.09525	1.1
411.10767	7.7
435.10736	4.3
435.32883	0.9
453.11896	4.4
453.17258	1.3
453.34464	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	453.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	60.8
57.03432	0.8
69.03421	1.5
71.80419	1.5
71.95224	0.7
73.02913	0.9
74.97593	1.2
79.05490	0.8
84.96024	3.4
85.02891	2.9
89.03899	4.8
97.02880	3.0
98.97568	15.0
107.04938	2.4
110.97565	2.9
112.99119	2.9
115.00745	0.8
116.98613	12.8
117.03348	5.7
119.01907	1.9
123.04460	0.9
124.99117	4.1
127.00677	1.2
127.03920	2.4
128.98575	4.5
131.00143	7.0
131.01837	1.6
133.01595	0.8
133.03468	1.5
134.99672	5.1
135.04388	14.1
135.05342	1.0
139.00700	1.7
139.03886	1.0
141.02220	6.6
143.00146	22.0
143.01875	1.5
145.01709	2.3
145.02840	8.3
146.99614	3.1
147.04445	2.8
149.01237	5.0
151.00777	1.3
153.00572	0.8
155.00043	0.9
155.01865	2.3
157.01724	4.4
158.49548	0.7
158.99657	4.0
159.03273	13.9
159.04976	2.0
161.01210	24.5
161.02780	1.1
163.02879	2.3
163.03886	55.2
164.04205	1.5
167.00195	2.6
167.02237	0.8
168.98056	1.1
169.01733	7.8
170.99693	3.3
171.05017	2.6
173.01326	0.9
173.02960	2.6
175.00612	4.7
175.02739	1.6
176.98535	0.8
177.00685	4.4
177.04335	2.6
177.05934	1.2
178.04886	1.2
179.02303	3.6
184.02814	0.8
185.01239	11.0
185.02853	1.4
186.99176	4.4
187.02774	13.9
189.00687	6.5
189.06044	2.8
191.00162	2.2
191.02310	1.4
193.00114	1.4
193.01721	11.9
194.99611	2.5
197.01178	0.8
200.98592	1.7
201.00665	2.0
201.06091	2.6
203.02281	15.3
203.04036	1.2
203.07542	1.1
205.00200	3.1
205.03859	4.3
206.99806	1.5
207.01787	2.1
209.01181	10.1
211.02780	15.9
211.04709	1.5
213.00690	12.9
213.02588	0.9
213.06180	0.8
218.99704	6.1
219.01735	4.9
221.03278	9.3
221.05128	3.3
225.00696	2.4
227.02251	5.0
229.03763	5.6
231.01740	23.0
237.00700	34.9
237.02832	6.4
249.02789	20.3
249.05392	1.2
254.03300	0.8
255.01723	69.6
256.01959	1.6
260.02112	1.6
261.02695	0.9
261.08298	3.4
267.03912	4.1
273.02792	100.0
274.03162	2.6
278.03320	2.7
279.04092	3.5
279.09299	7.5
291.00668	0.8
291.03857	3.9
291.09332	2.5
295.07111	1.7
296.04437	2.5
301.03769	0.9
303.60443	0.8
305.03305	2.3
307.07053	2.2
309.04837	2.1
309.08636	2.4
315.01440	1.1
321.01578	0.9
323.04239	6.0
331.01254	0.9
331.04861	2.6
333.02908	1.1
341.05429	2.0
347.04376	2.5
349.02155	2.8
349.05981	4.1
351.09686	1.5
357.02844	1.3
361.02338	1.2
365.05341	5.1
367.03238	6.7
367.07217	2.6
375.03769	7.4
383.06409	2.4
385.04419	2.2
393.04861	27.0
411.05936	50.3
412.05997	1.3
416.06381	0.8
429.07025	47.8
430.07278	2.5
434.07483	2.5
435.13559	2.2
452.08499	1.1
453.07001	19.1
453.14133	3.8
471.08215	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	451.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08402	3.7
55.01855	5.1
55.05490	13.0
57.03410	3.8
57.07051	6.7
59.04976	6.7
67.05508	18.4
69.03414	6.5
69.07064	30.8
71.04980	18.8
76.47745	5.0
79.05489	13.5
81.03395	4.9
81.07037	16.2
83.01317	9.8
83.04964	7.3
85.06523	3.9
86.91709	3.2
89.06013	6.9
91.05430	7.4
93.07017	17.1
93.43811	3.3
95.04945	14.6
95.07972	3.3
95.08588	20.0
97.06506	12.6
97.10114	5.2
98.21464	8.8
99.04434	8.7
105.03379	9.3
105.07007	17.0
107.08569	16.7
109.02872	4.4
109.06500	9.4
109.10135	23.8
111.04421	12.4
113.05998	81.6
117.07020	6.6
119.08556	19.5
121.06493	5.7
121.10119	14.0
123.04442	4.9
123.08051	7.1
123.11652	7.5
124.12011	3.7
125.06028	3.7
125.09631	7.5
127.07487	7.9
128.06255	6.6
131.08560	13.6
133.08601	6.6
133.10124	69.6
135.08025	12.1
135.11674	38.2
137.05946	12.7
137.09647	20.4
139.07533	4.4
139.11180	5.2
140.23944	3.7
141.80820	3.7
143.08534	5.9
145.10045	9.1
149.09592	20.5
151.07498	15.5
151.11148	8.6
153.05447	4.8
153.09044	8.2
155.08508	4.5
155.10641	7.0
157.10065	8.2
159.08104	7.2
159.11673	5.9
161.09624	18.5
163.11130	10.7
165.05457	12.1
166.05757	8.7
167.10686	9.6
169.08563	18.2
171.08028	27.7
171.11737	7.1
173.09650	12.6
175.11240	6.7
177.01758	4.0
177.09041	10.5
179.10690	7.5
185.09639	4.7
189.09071	16.7
191.03363	16.4
191.10646	5.4
195.02878	29.2
195.10094	22.9
197.13203	8.3
201.09158	4.4
201.12672	6.1
201.50395	3.9
203.10648	8.2
205.08568	4.4
205.12167	5.6
206.09015	9.6
207.09088	5.3
209.04416	16.7
213.12627	7.1
219.10159	15.7
219.13808	16.8
220.00522	3.9
220.10619	4.7
221.11609	6.9
222.12018	5.2
223.09581	7.9
224.09926	16.0
225.10237	8.7
227.10602	9.4
227.14241	6.4
229.15805	5.3
243.06458	7.3
243.13756	25.6
245.11743	13.6
245.15318	10.3
255.06476	8.3
261.14786	31.7
269.08075	18.7
269.19168	18.8
271.13251	6.6
273.14938	8.8
285.10165	4.3
287.17136	3.8
287.19931	23.5
288.16815	4.4
289.14185	6.1
289.17117	5.4
292.15952	3.9
311.20047	9.5
313.17926	46.0
321.11020	4.0
324.11407	5.7
331.15558	3.7
331.18979	100.0
332.19354	5.9
339.21356	5.8
346.20627	4.9
347.21274	11.4
349.19943	13.1
365.19617	28.1
366.19788	5.1
377.17465	38.1
378.17615	4.4
381.24200	7.6
383.20630	65.2
384.20795	4.7
395.18527	35.1
399.25336	8.1
429.78998	5.1
433.23492	12.2
438.55713	4.3
451.24353	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.79734	0.9
54.03682	0.9
55.01829	1.1
55.05508	4.4
56.89753	0.8
57.03420	1.4
57.07065	1.3
62.12074	0.8
67.05500	16.9
68.97152	1.0
69.07058	5.2
71.04979	5.1
71.17726	2.7
79.05485	5.0
79.74452	0.9
81.03396	1.1
81.07048	10.6
83.04959	5.6
83.08616	4.1
83.43611	0.8
85.06490	1.2
91.05468	6.2
93.07027	11.8
94.74411	0.9
95.04951	3.4
95.08597	17.3
97.06544	1.5
97.10141	1.4
105.07018	7.6
107.08586	8.1
109.06483	2.8
109.10143	22.0
113.05974	4.1
117.07018	2.6
119.04892	0.8
119.08566	20.5
121.06501	2.3
121.10143	7.3
123.04398	1.3
123.08025	3.8
123.11695	3.3
125.09651	1.3
129.06894	1.5
131.08513	2.2
133.06438	1.2
133.10117	5.9
135.08028	3.8
135.11670	3.0
137.05891	1.5
137.09613	5.2
143.08531	1.1
145.10109	5.6
147.08031	2.4
147.11687	9.9
149.09608	3.9
151.11124	1.5
157.10104	3.8
159.08025	1.7
159.11638	2.7
161.09555	3.3
163.11157	3.8
166.27020	0.9
167.03314	2.3
169.10181	2.5
171.11649	3.5
173.09586	4.3
173.11819	0.9
173.13213	2.2
175.11163	2.2
177.09050	1.3
181.10001	0.9
183.11667	1.4
185.09602	1.4
185.13173	1.5
187.11139	2.0
189.09114	1.6
191.10670	2.4
193.12202	1.0
195.11636	1.2
197.09683	1.0
197.13179	2.0
199.14774	1.5
201.09088	1.5
201.12697	2.3
203.10611	1.2
207.06561	2.7
209.08041	1.4
209.13293	2.2
211.11241	1.0
211.14821	1.6
213.12726	1.7
214.09924	0.9
223.09541	1.2
225.07686	4.1
225.12769	1.2
227.14400	1.5
237.12740	1.6
241.19537	1.7
243.13835	1.5
251.17908	1.5
257.15347	1.3
265.19501	1.2
267.17371	1.5
269.18958	3.2
275.16364	2.4
287.20038	3.6
289.14328	1.5
293.18915	1.9
311.20050	5.2
313.17868	1.2
325.17889	2.3
329.21075	16.9
339.23044	1.9
347.18298	1.8
353.24603	2.2
357.24158	3.6
363.23175	2.9
371.25757	1.4
381.24158	14.6
399.25262	100.0
400.25497	4.0
451.26886	3.6
452.58118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.58358	0.2
55.01865	0.7
55.05485	0.5
57.07058	0.4
58.67275	0.2
67.05493	1.2
68.99781	0.3
69.07056	3.4
71.81401	0.4
71.88613	0.2
79.05469	0.6
81.03399	4.1
81.07037	3.2
83.08627	0.3
91.05452	0.5
93.07033	1.4
95.04971	1.3
95.08590	1.0
99.00833	0.5
105.03371	17.2
105.07015	0.9
106.03797	0.2
107.08569	1.5
109.02859	11.5
109.10141	1.9
119.08562	0.4
121.02843	0.9
121.06486	0.5
121.10104	0.4
123.11684	7.3
126.58587	0.3
127.11184	0.3
131.01266	0.4
133.10112	0.7
135.08020	0.3
135.11661	2.0
141.01797	0.7
149.02284	1.0
151.03879	0.6
165.01802	2.4
165.05460	0.5
167.03354	1.1
169.01260	1.0
177.01793	11.4
179.03351	2.1
183.02855	3.2
189.01912	0.3
191.03381	2.5
195.02853	100.0
196.03203	1.4
197.04494	2.1
203.03455	0.3
205.04898	0.4
207.02826	0.5
209.04395	2.0
215.03387	0.4
217.04955	0.6
218.04439	0.7
219.06343	0.3
229.04836	0.5
231.06468	0.5
233.08118	0.7
235.05986	0.5
243.06502	4.4
245.08163	0.3
251.09087	0.4
255.06470	48.6
256.06790	1.2
257.08051	9.8
261.07544	0.6
269.08044	2.2
273.14871	0.9
281.08109	0.5
281.11783	0.4
283.09793	0.4
285.07431	0.7
293.07858	0.5
295.09589	1.9
297.11145	0.5
299.12814	1.0
309.11465	0.5
311.12720	20.7
312.12952	0.5
313.10532	0.3
317.13861	0.5
321.11035	0.9
325.10706	0.4
337.14322	0.3
346.15344	0.3
359.16116	0.5
365.17377	1.0
377.17404	23.9
378.17694	1.0
383.18488	0.6
395.18463	22.0
396.18866	0.6
402.70605	0.2
408.63620	0.3
433.23672	3.5
436.77390	0.3
451.24478	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	451.2685
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
52.16862	0.5
53.03928	0.6
53.19157	0.6
55.05502	5.2
57.07065	1.1
59.03924	0.5
65.03931	0.5
67.05494	18.7
69.03427	1.0
69.07056	3.6
69.49297	2.2
69.49729	3.4
71.04984	5.2
79.05488	3.3
79.16310	0.5
81.07045	8.5
83.04514	1.0
83.04967	12.2
83.08606	2.8
85.06536	1.4
91.05467	5.7
93.07033	9.2
95.04953	2.3
95.08588	15.2
97.06538	0.8
97.10153	0.9
105.07011	6.2
107.04954	0.8
107.08575	6.5
109.06516	3.4
109.10139	30.8
111.08040	0.9
113.05987	4.2
117.07006	2.0
119.08562	17.9
121.06478	1.7
121.10115	8.4
122.10467	0.7
123.04401	1.0
123.08064	3.1
123.11692	1.5
125.09627	1.1
129.06978	1.3
131.08563	3.4
133.06525	1.3
133.10129	3.5
135.08049	3.8
135.11658	2.3
137.05963	1.0
137.09602	4.8
141.05424	1.5
142.07663	0.5
143.08557	1.9
145.10089	7.1
147.08040	1.6
147.11664	9.7
149.05971	1.5
149.09587	4.1
151.07491	0.7
151.11145	0.6
155.08470	0.9
157.10106	3.6
159.08022	1.5
159.11653	2.9
161.09584	3.4
161.13190	0.7
162.48506	0.5
163.11159	3.5
165.09132	0.5
167.08490	0.6
169.10101	1.4
171.07948	1.2
171.11687	2.4
173.09627	4.5
173.13261	1.1
175.07526	1.2
175.11180	4.6
177.09111	1.6
177.12697	0.5
179.10666	1.5
181.10072	1.3
183.11658	1.2
185.09631	1.6
185.13263	1.5
187.11142	3.6
187.14780	0.8
189.09064	2.0
189.12779	0.9
191.10623	3.0
193.10239	0.7
193.12201	1.3
195.08170	0.6
195.11668	1.2
197.09625	1.3
197.13240	1.7
199.11147	1.6
199.14772	1.7
201.09106	1.6
201.12645	1.1
203.10686	1.5
205.12210	1.5
207.11784	0.6
207.13809	1.1
209.13260	2.2
211.11177	1.1
211.14764	0.9
213.12782	1.4
215.10716	0.9
217.12225	0.9
219.10071	0.7
219.13722	0.7
223.14803	1.2
225.12708	1.8
227.10666	0.8
227.14302	1.3
229.12242	0.9
229.15767	0.7
233.11606	0.7
237.12695	0.8
239.14334	0.8
241.19502	1.3
243.13792	2.2
243.17471	0.8
245.19016	0.6
249.16280	0.9
251.14188	1.0
251.17990	1.3
255.13948	1.0
257.15384	1.8
258.15762	0.6
259.20697	1.0
264.15109	0.6
265.19638	1.0
267.13647	0.8
267.17496	1.3
269.15573	1.2
269.18961	3.6
273.14691	1.0
275.16428	2.2
277.17993	1.7
279.17474	0.9
281.19138	0.8
283.20566	1.5
285.15219	0.8
285.18332	0.9
287.20074	5.2
293.18961	2.4
295.17087	0.7
297.18604	1.7
299.16830	0.6
299.20065	2.3
307.16776	1.1
311.20013	6.8
311.23410	0.9
313.18011	1.2
317.21118	2.0
321.18576	0.7
321.21973	0.7
325.17932	1.8
329.21066	21.7
330.21381	1.1
335.23587	0.9
339.23227	1.5
340.06155	0.5
343.19424	0.8
345.21899	0.7
353.24728	2.8
357.24347	3.1
357.28256	0.6
359.21967	0.8
363.23120	4.5
371.25708	2.2
381.24173	15.4
399.25266	100.0
400.25589	6.7
433.25952	3.8
451.27124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.58358	0.2
55.01865	0.7
55.05485	0.5
57.07058	0.4
58.67275	0.2
67.05493	1.2
68.99781	0.3
69.07056	3.4
71.81401	0.4
71.88613	0.2
79.05469	0.6
81.03399	4.1
81.07037	3.2
83.08627	0.3
91.05452	0.5
93.07033	1.4
95.04971	1.3
95.08590	1.0
99.00833	0.5
105.03371	17.2
105.07015	0.9
106.03797	0.2
107.08569	1.5
109.02859	11.5
109.10141	1.9
119.08562	0.4
121.02843	0.9
121.06486	0.5
121.10104	0.4
123.11684	7.3
126.58587	0.3
127.11184	0.3
131.01266	0.4
133.10112	0.7
135.08020	0.3
135.11661	2.0
141.01797	0.7
149.02284	1.0
151.03879	0.6
165.01802	2.4
165.05460	0.5
167.03354	1.1
169.01260	1.0
177.01793	11.4
179.03351	2.1
183.02855	3.2
189.01912	0.3
191.03381	2.5
195.02853	100.0
196.03203	1.4
197.04494	2.1
203.03455	0.3
205.04898	0.4
207.02826	0.5
209.04395	2.0
215.03387	0.4
217.04955	0.6
218.04439	0.7
219.06343	0.3
229.04836	0.5
231.06468	0.5
233.08118	0.7
235.05986	0.5
243.06502	4.4
245.08163	0.3
251.09087	0.4
255.06470	48.6
256.06790	1.2
257.08051	9.8
261.07544	0.6
269.08044	2.2
273.14871	0.9
281.08109	0.5
281.11783	0.4
283.09793	0.4
285.07431	0.7
293.07858	0.5
295.09589	1.9
297.11145	0.5
299.12814	1.0
309.11465	0.5
311.12720	20.7
312.12952	0.5
313.10532	0.3
317.13861	0.5
321.11035	0.9
325.10706	0.4
337.14322	0.3
346.15344	0.3
359.16116	0.5
365.17377	1.0
377.17404	23.9
378.17694	1.0
383.18488	0.6
395.18463	22.0
396.18866	0.6
402.70605	0.2
408.63620	0.3
433.23672	3.5
436.77390	0.3
451.24478	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	451.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20648	0.6
71.18695	0.9
71.19014	1.3
101.34260	0.6
105.00049	0.8
125.54926	0.8
186.37338	0.8
243.06380	0.8
245.07809	0.8
313.14203	1.5
329.13348	1.1
336.93005	0.7
346.15375	3.1
347.16144	1.8
364.16223	2.0
365.17285	1.1
382.17426	1.7
383.18140	3.3
389.24738	1.1
415.22418	6.3
433.23447	10.4
451.24506	100.0
452.24924	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	451.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03491	0.6
52.60751	0.5
55.05499	0.6
58.02747	0.6
67.05477	0.7
69.07050	1.1
69.84246	4.8
71.86447	0.6
81.03397	0.8
81.07055	1.6
93.06988	1.1
95.08624	1.3
97.10155	0.8
105.03383	3.4
107.08553	0.9
109.02876	2.6
109.10123	1.1
121.10130	0.6
123.11700	2.7
133.10139	0.7
135.04274	0.8
177.01733	3.5
183.02892	0.7
195.02879	29.4
196.03239	0.8
215.03416	0.8
217.04980	0.9
224.10034	1.2
229.04800	0.7
231.06378	0.8
243.06418	1.6
255.06511	14.6
267.06403	0.9
293.07996	0.6
295.09744	0.8
311.12750	5.6
313.14050	1.1
321.11057	1.6
340.14618	0.7
346.15192	3.2
347.16110	1.9
347.21005	1.2
351.16058	1.3
363.15585	0.9
364.16345	2.8
365.17258	3.0
377.17398	15.0
378.14209	0.8
381.16837	1.0
382.17474	3.0
383.18445	3.1
383.22726	0.6
395.18655	3.8
395.23065	0.7
396.15417	1.2
415.22482	6.2
433.23550	19.3
451.24515	100.0
452.24777	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	451.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30000	1.8
51.95016	2.1
57.31143	2.1
69.07048	3.2
71.81682	2.4
71.82050	2.4
81.07029	4.5
89.05968	2.1
93.07018	3.3
105.03399	4.1
109.02837	4.5
109.10114	3.4
121.10143	2.4
123.11691	4.2
123.28155	2.4
130.40985	2.1
145.88167	2.2
158.71426	2.2
165.05370	3.4
166.05798	3.8
177.01781	3.1
195.02878	27.1
206.08896	5.5
207.09021	2.8
224.10027	5.7
225.10225	4.8
226.61314	2.3
255.06506	18.9
288.16565	3.0
311.12906	4.2
344.29095	2.4
347.21249	5.4
377.17383	17.3
382.15231	18.3
395.18448	3.0
451.22379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01870	2.1
55.05501	1.9
57.03428	15.0
59.04988	1.1
61.02921	1.2
65.03925	1.5
67.05499	2.1
68.99782	1.7
69.03419	20.7
69.07042	0.9
70.05338	2.8
70.06562	0.5
71.01340	1.3
71.04980	100.0
72.05318	1.1
73.02914	1.7
74.09724	0.5
75.04462	3.9
79.05472	1.3
81.03409	1.7
83.04965	4.7
85.02888	96.5
86.03247	1.2
87.04458	1.9
91.05454	0.9
93.03387	1.1
95.04956	6.2
97.02900	0.9
97.06524	4.1
97.34789	0.5
98.09698	1.1
98.21496	0.5
99.04417	1.2
103.03931	0.6
105.03336	0.8
105.07009	0.6
107.04902	2.2
109.02843	1.4
111.00813	0.6
111.04422	6.6
115.05448	0.9
117.03414	0.5
117.06977	0.5
119.04869	0.7
121.02830	2.6
121.06519	0.8
123.04411	33.3
124.04835	0.8
125.06009	0.7
127.03888	1.3
129.05460	27.9
129.06999	1.5
130.05952	0.5
131.04860	0.7
133.02826	1.3
133.06444	0.5
135.04410	7.3
137.02306	2.1
139.03876	3.5
141.06932	1.4
143.04881	1.3
143.08557	1.1
145.02855	0.7
147.04425	2.6
147.06490	6.0
149.02316	13.8
149.05954	0.7
151.03911	2.7
152.06183	1.4
153.01802	24.1
153.06946	0.6
157.04985	1.0
157.06439	1.5
157.10091	0.9
159.04327	1.0
159.08038	0.8
160.05182	2.7
161.02280	2.8
161.05942	10.6
163.03876	9.3
165.01811	7.2
165.05505	1.0
165.06894	0.4
167.03404	3.2
167.08527	5.5
169.06390	2.3
171.02872	0.8
171.04378	0.8
171.07918	0.7
173.02361	3.2
173.05917	2.4
174.06808	2.4
174.28185	0.5
175.03914	2.2
175.07501	3.1
177.01843	2.4
177.05418	0.9
179.03371	3.0
181.06454	1.5
183.02866	4.2
184.05043	0.7
185.05948	3.3
185.09532	1.6
187.03853	0.8
187.07561	2.9
189.05444	6.0
189.09064	11.4
191.03394	3.7
191.08101	1.9
193.04977	0.9
195.02876	15.4
195.08012	9.2
196.03137	0.7
197.05908	1.9
198.06619	1.1
199.03894	0.7
199.07462	1.0
200.04643	0.8
201.09111	0.7
203.03339	3.9
203.07036	3.5
203.10533	0.7
207.02809	1.0
209.06017	0.8
213.05583	3.2
213.09061	13.0
215.03459	1.2
215.07010	12.1
215.10550	1.8
217.04900	2.0
217.08565	3.1
217.38541	0.4
219.02859	4.0
219.06354	1.1
221.04314	1.2
223.07458	1.1
226.06256	1.0
227.07021	0.5
229.04811	0.6
231.04306	0.6
231.06493	10.0
231.10043	6.9
232.10199	0.5
237.05640	0.7
241.04849	1.7
241.08565	7.1
243.06448	0.7
245.04398	6.0
251.06935	0.6
255.06461	4.1
257.04401	1.1
258.04965	0.9
259.05927	11.8
259.09537	36.8
260.09851	1.0
263.05447	10.8
264.05804	0.7
271.05988	12.2
273.07547	2.7
277.10742	3.2
281.06470	3.9
283.05954	3.7
287.02524	0.7
287.05469	8.7
288.05634	0.9
289.07004	7.9
297.07373	2.2
299.05243	1.7
299.07693	1.6
301.07068	6.1
305.06503	26.0
306.06754	1.7
311.05399	3.9
313.07004	0.6
315.04706	0.6
317.06433	1.4
323.08981	1.1
325.07040	3.5
329.06561	3.6
347.07541	5.0
351.08347	1.6
353.06213	1.3
369.09448	2.0
371.07486	2.6
379.07974	1.1
397.09134	3.5
415.09897	3.4
433.10724	2.1
451.10971	3.1
451.15704	5.9
451.24841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.6
57.03425	3.8
61.02911	9.7
61.83973	0.8
62.03259	1.5
63.03343	1.1
67.05495	2.8
68.99775	2.0
69.03413	6.9
69.07050	1.2
70.06596	1.1
71.01342	1.3
71.04977	17.6
71.05344	1.5
71.74376	1.3
73.02911	2.5
79.05486	1.8
81.03406	0.9
83.04958	1.4
85.02894	25.0
85.03401	1.4
86.03215	2.3
91.03949	5.9
92.04257	1.0
92.57664	0.9
95.04948	6.3
97.02876	4.7
97.06498	4.2
98.03242	1.2
98.09619	1.1
105.03357	1.3
107.04983	0.9
109.02905	1.7
111.04443	2.5
115.05454	1.6
121.02859	4.1
121.06455	1.5
122.03176	1.8
123.04414	5.8
127.03919	2.4
129.05486	6.2
131.04938	1.0
131.08545	1.0
135.04390	2.0
137.02313	1.6
139.03854	1.5
141.06990	2.2
143.04875	1.0
143.08551	0.9
145.04907	1.7
147.04385	2.1
148.04698	1.2
149.02350	1.9
149.09482	1.0
153.01802	7.7
154.02185	1.8
155.02228	1.9
157.06493	1.5
159.04367	1.5
160.05174	3.8
161.02264	0.9
161.05957	14.0
163.03886	6.4
165.01810	3.5
166.02159	1.4
167.08546	2.5
169.06516	2.0
173.05997	3.0
175.03825	1.4
175.07553	1.9
177.66168	0.8
183.02875	1.2
184.05193	1.4
185.05963	1.7
185.09502	1.3
187.07521	1.7
189.09082	16.4
191.03403	1.4
195.02852	1.2
195.08087	4.6
197.06023	1.9
199.07532	0.9
201.05489	1.8
213.05443	2.4
213.09067	7.0
215.07025	17.8
217.08542	5.9
231.06477	1.5
231.10176	2.5
241.04938	1.3
241.08566	3.4
249.11458	0.9
259.05978	2.4
259.09628	38.3
260.10071	1.3
263.05603	1.4
271.05939	1.6
274.04605	1.1
277.10568	4.6
281.06427	0.9
287.05460	55.0
288.05789	45.7
289.06000	100.0
290.06326	2.9
305.06506	3.6
312.47870	0.9
346.44128	0.9
415.10480	1.1
425.10339	0.9
451.16089	2.6
451.25009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01845	1.8
55.05495	4.7
57.03416	2.5
61.02909	4.1
67.05489	1.8
68.99782	1.7
69.03055	1.9
69.03416	31.0
69.07050	2.3
69.78064	4.2
69.78482	2.0
70.06580	2.0
71.04978	8.8
71.26125	0.8
72.91332	0.9
79.05465	2.0
81.03403	2.1
81.07033	1.2
83.04958	6.8
84.04519	0.9
85.02889	16.3
87.04444	1.7
91.05444	2.0
95.04946	3.0
97.02882	2.4
97.06505	9.6
98.09724	1.2
99.04419	1.7
105.07033	1.0
107.04929	1.8
109.02859	1.1
109.10118	1.4
111.00755	1.0
111.04414	7.2
115.05422	4.5
120.08040	1.1
121.02863	1.2
121.06452	1.6
121.10150	0.9
123.04397	6.6
127.03893	3.8
129.05460	14.1
129.06946	0.9
130.00188	0.8
131.04884	1.4
131.08522	1.2
133.06438	2.5
135.04361	2.9
137.02324	9.8
137.05931	4.4
139.03897	1.1
141.06970	1.4
143.04897	9.0
145.04947	1.2
147.04346	5.3
148.04729	3.2
149.02299	1.4
151.03906	1.0
153.01819	11.0
157.06393	1.0
159.04419	2.3
160.05219	1.4
160.54407	0.8
161.02335	2.8
161.05954	17.7
163.03891	7.7
165.01782	1.2
167.08554	2.5
169.06491	1.5
171.04305	1.0
173.02325	3.6
173.05956	13.8
174.06746	1.3
175.03900	3.4
175.07538	1.9
176.04634	3.2
177.01730	1.2
177.05481	1.8
179.03355	1.7
181.06430	1.1
183.02901	1.0
183.43565	0.9
185.05930	1.2
187.03798	1.1
187.07521	1.3
189.05437	78.2
189.07384	3.6
189.08884	5.5
190.05812	1.6
191.03355	1.8
193.04955	1.2
195.02853	1.6
195.08038	3.8
197.05930	2.9
197.53914	0.8
199.07349	1.0
201.05435	1.8
203.03362	4.0
207.02910	1.2
213.09074	4.9
215.06982	16.7
215.10437	1.6
217.04958	1.5
219.06494	1.4
225.05536	1.1
229.04926	2.5
231.06609	1.2
231.10109	13.5
241.08530	7.8
243.06491	3.1
243.14941	2.1
245.04375	3.6
245.77017	0.9
247.05977	1.6
252.74799	1.0
253.04953	2.7
259.09619	29.6
260.10016	1.1
263.05350	5.5
271.05963	100.0
271.14355	3.5
272.06293	5.2
287.05444	13.6
288.05820	10.6
289.06866	42.1
289.15424	2.5
290.07272	1.5
298.04678	1.0
305.06326	2.6
313.06952	1.7
329.06558	1.3
355.07996	7.5
413.77032	0.9
433.11069	7.2
451.10361	1.2
451.16019	1.1
451.25229	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	451.1232
Annotation	Aromadendrin 3-glucoside
Peak:m/z	Relative Intensity
55.01854	1.0
62.66837	0.4
65.03947	0.5
67.05474	0.5
67.43092	0.3
69.03404	1.0
70.06566	0.5
71.04987	0.4
71.80997	0.6
72.62307	0.4
79.05485	0.8
83.04990	0.9
85.02879	1.2
91.05475	1.2
93.07033	0.5
95.04945	0.7
97.02882	0.5
97.06509	0.6
104.14186	0.5
105.07050	0.6
107.04915	0.8
108.05259	0.5
109.06519	0.5
111.04423	1.0
119.04931	0.8
122.03566	0.6
123.04394	1.8
127.03922	0.8
129.07008	0.4
131.04865	0.4
131.08601	0.4
135.04425	2.5
137.02307	1.4
137.05949	5.0
139.03885	0.9
141.06969	1.7
143.08493	0.5
145.06442	0.5
147.04398	2.3
149.05943	0.5
151.03923	0.6
151.11201	0.7
153.07072	0.5
155.45094	0.4
155.74136	0.4
157.06436	0.5
159.04463	0.4
159.08084	0.5
161.05957	1.8
163.03842	1.9
167.07068	1.5
167.08455	0.7
169.06494	4.0
171.07996	0.6
173.05960	0.9
174.06821	0.4
175.03886	2.5
175.07523	1.1
179.03342	0.7
184.05255	0.5
185.05878	0.5
185.09663	0.6
187.07552	3.4
189.05373	0.7
189.09029	1.0
191.03450	0.4
191.06914	1.1
195.08005	1.1
197.05971	3.4
199.07378	0.5
200.04671	5.2
203.03419	0.5
213.09097	1.6
215.07013	10.6
217.08611	1.4
228.04143	4.9
229.04680	0.6
231.02870	12.4
231.10135	0.7
232.02974	0.5
241.08667	1.1
245.04434	1.6
255.02951	1.4
256.03659	13.9
257.04327	1.2
259.02356	39.9
259.09625	15.4
260.02731	1.1
271.05997	1.6
273.03830	0.6
274.04694	46.2
275.05130	1.2
277.10568	0.5
285.11380	0.6
289.07037	100.0
290.07419	2.9
290.10178	0.6
313.07062	0.7
347.14206	0.6
424.52231	0.4
451.12106	9.3
451.17310	0.7
452.12476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.123
Annotation	Aromadendrin 3-glucoside
Peak:m/z	Relative Intensity
55.01846	0.3
67.05480	0.5
69.03409	0.9
69.07050	0.3
70.06570	0.3
71.04967	0.3
71.77499	0.3
79.05478	0.6
83.04963	1.0
84.08129	0.3
85.02876	0.7
86.09679	0.6
91.05461	0.6
91.89859	0.2
91.90495	0.3
93.03371	0.3
93.07020	0.3
95.04952	0.7
97.02888	0.5
97.06522	0.4
99.04406	0.5
105.06988	0.3
107.04944	0.6
109.02879	0.3
109.06479	0.3
111.04413	0.9
115.05376	0.3
119.08587	0.3
120.08134	0.3
121.02834	0.3
121.41851	0.2
123.04420	1.8
127.03926	1.2
129.05470	0.3
129.06906	0.4
130.05011	0.3
131.05055	0.2
131.08583	0.3
135.04402	1.0
137.02315	1.0
137.05978	0.9
139.03896	1.5
141.06972	0.8
145.06526	0.3
147.01442	0.2
147.04358	0.9
152.83235	0.2
153.01866	0.4
157.04932	0.3
157.10071	0.3
159.04404	0.3
159.08031	0.4
161.05934	0.6
163.03883	1.6
165.01808	0.4
167.07037	0.9
167.08452	0.3
169.06493	1.6
171.08067	0.3
173.05896	0.5
175.03900	0.8
175.07475	0.4
179.03143	0.3
179.07054	0.3
181.04947	0.7
185.09637	0.5
187.07545	1.1
189.05359	0.4
189.09128	0.5
191.03345	0.4
191.06880	0.4
193.04932	0.2
193.06934	0.3
195.08043	0.7
197.05933	1.1
198.06656	0.3
200.04654	1.9
201.05424	0.4
203.03360	0.6
203.07010	0.3
213.09076	1.6
215.07004	3.8
216.04189	0.4
217.08546	0.6
225.07594	0.6
228.04153	0.8
229.04915	0.8
231.02888	2.3
231.10118	0.7
239.44814	0.3
241.08606	0.7
243.06462	0.7
245.04439	1.5
246.05159	0.8
257.04501	0.6
259.02347	8.0
259.09665	4.7
260.03046	0.8
261.07559	0.4
271.06000	1.3
271.09836	0.2
272.06686	0.3
273.03918	4.1
274.04688	27.6
275.05188	0.8
289.07031	100.0
290.07309	1.7
311.05609	0.3
451.16000	0.7
451.21609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.123
Annotation	Stillopsin
Peak:m/z	Relative Intensity
53.03928	2.4
55.01876	2.3
57.03424	10.1
61.02901	4.4
63.73882	1.7
65.03912	3.1
67.05480	4.1
68.06645	1.8
68.99781	6.3
69.03423	72.8
69.50367	10.9
69.50802	9.9
70.06567	3.0
71.04987	32.8
73.02892	5.8
79.05486	1.7
81.03412	4.8
81.07034	2.5
83.04977	3.7
84.04498	1.9
85.02897	61.1
91.05474	9.7
93.03436	1.7
95.04956	6.3
97.02896	9.3
99.04444	3.1
103.03969	2.8
103.05468	2.2
104.60822	1.8
105.03379	2.2
106.69036	1.7
107.04938	19.9
109.02859	6.3
111.04454	11.5
121.02831	4.1
121.06541	3.3
121.11581	2.4
123.04414	100.0
125.02296	2.6
125.05967	2.4
127.03897	10.1
129.05482	10.5
130.12225	2.0
131.04926	2.7
133.02908	1.8
135.04404	33.1
137.02318	8.8
137.06001	3.3
139.03888	13.8
140.06927	3.3
143.04912	2.3
145.04947	6.1
147.04367	10.3
147.07657	1.8
149.02333	16.4
149.05971	3.4
151.03926	10.4
153.01810	17.5
153.05319	1.8
157.06429	3.0
161.02330	5.3
161.05978	5.0
163.03864	21.0
165.01811	21.1
165.05504	5.1
167.03406	3.2
169.06340	2.7
171.02861	4.0
171.04213	2.5
173.02356	14.1
173.05904	2.6
175.03864	6.1
177.01758	12.6
177.05444	6.2
179.03397	7.7
181.06458	5.6
182.08116	4.0
183.02863	22.3
185.05844	2.9
187.03865	6.2
189.05460	2.1
191.03337	14.1
193.01056	2.1
193.04973	4.5
195.02853	47.1
199.03970	2.7
201.05487	2.7
203.03339	16.7
205.04668	2.1
207.02824	3.7
209.04370	2.6
213.05455	4.0
214.87128	2.2
215.03401	5.6
215.06937	13.4
217.05025	8.9
219.02966	12.4
227.03387	3.8
227.06958	2.5
229.04947	4.4
231.06477	4.6
233.04378	2.6
241.04851	2.6
243.06480	15.2
245.04451	19.5
247.06075	3.6
255.06511	18.4
257.04489	5.5
258.05157	3.9
259.05960	9.4
259.09558	3.1
263.05505	43.3
269.07956	2.4
271.03125	3.0
271.06006	27.8
272.06516	3.3
273.07614	10.5
281.06570	10.5
283.06006	19.2
285.07501	2.6
287.05426	11.8
288.05872	3.1
289.06589	9.4
295.05890	2.4
297.07648	10.1
299.05447	8.5
299.08020	4.6
301.06973	22.6
302.12271	3.4
305.06528	15.1
309.07571	2.4
311.05466	16.3
313.07202	2.5
317.06448	3.5
323.08957	3.7
325.07065	15.0
329.06522	14.1
331.08209	2.4
337.06970	2.3
347.07568	20.6
351.08466	6.8
353.06415	7.7
369.09525	12.6
371.07620	13.4
379.08029	5.8
387.10605	4.5
397.09070	15.9
409.09427	2.2
415.10242	19.9
433.11014	10.9
451.12167	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	451.1231
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.80679	0.2
55.01887	0.3
55.05519	0.3
57.03460	0.9
61.02938	0.8
61.89931	0.2
62.30248	0.2
67.05522	0.7
69.03412	4.4
70.84959	0.7
71.01383	0.3
71.05002	0.6
73.02929	0.4
81.03450	1.0
81.07014	0.2
83.05008	0.5
84.83512	0.2
85.02890	9.3
86.70564	0.3
87.04456	0.3
95.04940	2.1
97.02879	1.7
97.06553	0.6
97.34662	0.2
99.04463	0.4
101.02401	0.3
103.03957	0.4
109.02888	0.8
111.04420	0.5
115.05477	0.4
117.03365	0.5
123.04459	0.4
126.22471	0.2
127.03880	1.6
129.07001	0.3
130.73521	0.2
133.06528	0.2
136.07512	0.2
137.02286	1.4
137.06003	0.4
139.03836	0.2
141.06973	0.4
145.04973	0.7
147.04362	0.3
159.76193	0.2
160.05125	1.1
161.05943	3.1
161.07104	0.3
163.03909	1.2
165.05489	0.3
167.08568	0.8
169.06462	0.5
171.04420	0.6
171.08020	0.4
173.06056	0.6
175.03911	0.4
175.07568	0.6
185.09584	0.3
187.07510	0.5
189.09079	5.0
189.10649	0.4
195.08067	1.3
197.06012	1.5
198.06680	0.3
199.04015	0.6
200.04634	0.8
203.03351	4.8
203.10706	0.3
209.04314	0.3
213.09036	1.9
214.01187	0.2
215.07024	2.7
217.08658	1.1
221.04460	1.1
224.04581	0.3
225.05443	2.0
227.03368	0.4
228.04082	1.4
229.01295	1.3
229.04959	0.6
231.10114	1.3
241.08578	0.7
243.06493	5.7
244.06868	0.3
245.04477	0.6
247.02330	5.4
247.06035	0.6
249.11290	0.4
253.04907	4.2
254.05589	0.5
256.03854	0.3
259.09616	7.1
269.04486	0.3
271.05960	100.0
272.06299	4.0
277.10522	1.5
289.07016	34.7
290.07272	1.4
295.06003	0.3
303.04846	0.3
304.05557	0.3
305.05365	0.4
313.06985	3.5
331.08093	1.0
416.00793	0.2
419.87375	0.2
433.10980	3.9
434.10880	0.2
451.12048	19.1
452.12390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1229
Annotation	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
53.61666	1.7
55.72964	1.7
57.03423	15.4
57.71849	1.5
69.03422	20.2
71.04983	89.0
71.13025	4.6
72.05325	2.0
73.02888	3.1
74.83363	1.4
84.64777	1.6
85.02895	100.0
95.55135	1.9
102.91105	2.1
107.04932	1.9
111.04485	3.8
123.04417	30.1
129.05444	25.5
135.04370	4.8
137.02368	2.6
139.03893	2.1
147.06496	6.6
149.02356	11.8
151.03879	2.4
153.01801	21.2
161.02382	2.1
161.06003	3.5
162.38782	1.9
163.03879	2.2
165.01839	8.5
167.03380	2.7
173.02377	2.4
177.01767	3.4
179.03381	2.5
183.02888	3.4
185.05965	1.8
189.09064	2.8
191.03365	2.5
195.02859	13.1
203.03423	2.3
213.05444	3.6
215.03305	2.1
215.07010	3.2
217.04897	3.1
219.02924	3.6
231.06467	8.8
245.04465	4.5
255.06606	2.9
259.05988	12.5
259.09497	4.1
263.05505	13.0
271.06076	2.4
273.07584	2.8
281.06586	3.7
283.06198	3.6
287.05563	7.1
297.07632	2.3
299.05090	1.8
301.07248	3.2
305.06494	28.3
306.06879	2.6
311.05548	2.6
329.06686	4.1
346.17880	2.0
347.07639	4.5
369.09509	3.4
371.07578	5.3
387.11191	1.7
397.09247	3.9
415.10403	4.7
433.11783	2.1
451.12335	5.3
477.66800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1231
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03970	0.3
55.01912	0.5
55.05565	0.4
57.03471	1.0
59.77851	0.2
61.02969	0.6
67.05228	0.2
67.05563	0.7
69.03423	3.4
70.05981	1.3
71.01388	0.4
71.05027	0.6
72.05396	0.2
73.02951	0.5
79.05524	0.3
81.03475	0.7
83.05054	0.6
85.02893	9.9
87.04507	0.4
93.03464	0.4
93.90105	0.3
95.04965	2.5
97.02893	2.0
97.06593	0.8
98.20798	0.3
99.04523	0.4
101.02441	0.3
103.04001	0.6
109.02950	0.9
111.04520	0.4
115.05479	0.3
117.03424	0.6
121.02898	0.3
123.04481	0.3
127.03893	1.8
135.04471	0.4
137.02328	1.0
137.06007	0.2
141.07005	0.5
143.08612	0.3
145.04987	0.8
149.06056	0.2
157.10178	0.3
160.05243	1.0
161.05945	4.4
163.03891	1.6
165.05530	0.3
167.08653	0.6
169.06569	0.5
171.04416	0.3
171.08096	0.3
173.06068	0.4
175.03954	0.2
175.07613	0.6
179.14203	0.2
187.07616	0.7
189.09090	5.6
195.08031	1.1
197.05933	1.3
199.03944	0.5
199.07704	0.3
200.04741	1.0
201.05591	0.2
203.03381	4.2
203.07066	0.2
203.10698	0.4
213.09100	2.6
215.07022	3.3
217.08633	0.8
221.04349	1.0
224.04753	0.3
225.05455	1.9
226.06213	0.2
227.03401	0.5
228.04150	1.3
229.01213	1.1
229.05006	0.7
231.10158	1.0
241.08652	0.7
242.05836	0.4
243.06522	5.3
245.04329	0.5
247.02348	5.5
247.06099	0.5
249.11098	0.3
253.04929	3.6
254.05745	0.3
259.09637	8.2
271.05978	100.0
272.06345	1.8
277.10663	1.7
280.29834	0.2
286.04773	0.3
289.07034	34.7
290.07339	0.5
305.05457	0.7
313.07031	3.1
317.06464	0.3
331.08020	0.8
356.58707	0.2
415.09659	0.3
433.11099	4.3
451.12000	19.3
452.12454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03395	6.8
57.07063	35.7
69.07057	24.3
69.84348	9.4
69.84756	32.6
75.15369	5.6
80.61117	5.3
81.07028	9.0
83.01331	12.9
93.07034	11.5
105.07027	11.7
107.08595	16.5
112.80104	5.2
117.55652	5.0
119.08578	6.2
121.06464	6.1
121.10124	100.0
123.11697	13.6
124.11963	7.5
125.06038	5.9
127.07554	25.3
128.52313	5.1
129.80768	5.4
133.10121	17.5
135.11691	23.4
145.10107	11.6
147.11787	6.9
162.22729	4.9
163.07463	7.6
163.11189	18.4
165.05394	38.3
165.09088	11.1
166.05809	20.8
172.92332	5.2
173.09575	55.3
177.09160	7.0
178.09535	5.7
192.07352	5.9
203.14209	6.4
205.08577	32.2
206.08948	33.6
209.08092	8.3
221.11748	20.1
221.15298	12.3
222.12021	21.0
223.09645	55.0
224.09938	43.7
229.12198	17.4
245.15366	11.6
287.16519	11.4
288.16815	25.2
292.16278	8.3
306.17877	7.9
329.21060	18.4
345.20526	11.5
346.20917	41.6
347.22159	98.5
364.21988	14.5
414.27524	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	450.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71303	1.3
53.03921	2.6
55.05482	1.3
57.07063	10.2
59.04994	1.8
59.93119	1.1
67.05490	1.4
67.66991	1.2
69.07047	9.0
71.82139	2.8
79.05464	2.7
81.03397	3.7
81.07033	3.7
83.01313	2.9
85.06516	6.6
88.86340	1.2
91.05459	4.1
93.07043	7.6
95.04906	2.3
95.08577	3.5
105.03394	9.3
105.07015	5.7
107.08569	5.9
108.08842	1.2
109.02866	10.7
109.06473	1.5
109.10090	2.2
115.93192	1.5
117.06992	1.4
119.08569	5.0
121.10131	25.0
123.08082	3.7
123.11675	5.9
125.09550	1.6
127.07556	6.3
130.65747	1.2
131.08582	2.0
133.10109	3.4
135.08095	1.7
135.11650	5.2
143.08597	2.1
145.10081	3.8
149.09624	2.2
157.10054	2.2
161.24876	1.3
163.11163	2.3
165.01811	2.4
165.05435	9.1
165.09085	3.9
166.05797	5.6
168.09348	1.3
173.09598	14.7
175.11098	1.6
177.01782	11.9
183.02873	5.2
185.13176	1.7
191.10638	2.3
195.02869	100.0
203.14281	4.3
205.08542	6.8
206.08907	6.0
211.11311	1.8
221.11688	3.5
221.15331	3.9
222.12080	4.2
223.09636	10.5
224.09917	9.7
229.12273	5.2
231.06621	1.5
243.06451	4.5
245.15344	3.2
255.06491	63.3
257.08051	1.5
263.16415	2.1
271.20621	1.4
278.18585	2.0
287.16388	3.7
288.16742	6.3
292.16388	1.7
306.17749	1.4
310.11487	5.8
311.12762	28.7
329.21088	5.5
345.20428	2.8
346.20941	7.3
347.22119	26.9
352.24023	3.1
358.20682	1.8
364.22061	2.8
370.24954	8.3
377.17410	24.2
386.93307	1.4
394.17456	1.7
395.18503	17.6
398.53186	1.3
433.23477	8.0
450.31320	1.8
451.24506	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.6
57.07067	15.5
59.04993	3.0
67.05510	2.3
67.10458	1.8
69.07057	11.2
69.71436	16.3
79.05473	2.8
81.03398	5.5
81.07047	5.5
83.01341	3.8
83.04944	2.3
85.06543	7.2
90.96867	1.6
91.05458	5.0
93.07044	10.4
95.08598	3.3
98.20731	4.1
101.27016	1.8
105.03352	8.8
105.07021	9.6
107.08581	11.0
109.02871	10.0
109.06491	3.7
109.10137	1.9
119.08558	6.6
121.06404	2.0
121.10126	38.0
123.08033	4.4
123.11664	9.3
125.05991	2.0
127.07553	12.4
131.08571	2.8
133.10120	7.4
133.19818	2.0
135.08055	3.4
135.11679	9.2
137.09639	1.7
143.08566	1.8
145.10106	5.6
147.11728	2.8
151.07458	2.2
157.10114	2.6
159.11652	2.6
163.07571	2.2
163.11194	9.0
165.01823	4.2
165.05447	11.7
165.09108	6.1
166.05792	9.3
167.10834	1.9
173.09587	24.4
173.10927	2.3
177.01836	11.0
183.02905	3.4
187.07515	1.9
191.10643	2.2
195.02864	100.0
203.10567	1.8
203.14293	3.6
205.08574	11.6
206.08978	9.5
211.09576	2.7
212.05566	2.1
221.11737	7.3
221.15376	5.7
222.12071	6.3
223.09509	15.0
224.09959	14.7
227.14374	2.4
229.12242	7.5
229.15791	1.9
231.06647	2.0
232.06679	2.0
243.06393	5.0
245.15385	6.6
255.06490	56.1
271.20761	2.3
287.16437	4.9
288.16757	6.4
292.16153	3.8
306.17783	4.3
309.11179	1.9
310.11469	4.3
311.12747	32.7
318.91895	1.8
329.21036	12.7
345.20557	2.9
346.15176	1.8
346.21008	11.7
347.22144	40.4
352.23846	3.3
357.24506	1.8
358.20758	2.4
364.22021	4.6
365.17273	3.5
370.24988	6.4
377.17413	25.9
383.18088	4.0
395.18411	19.3
414.26987	2.3
415.22354	5.2
428.22971	2.0
433.23743	9.6
450.29999	2.9
451.24515	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21892	1.4
53.94800	1.5
55.05497	2.7
57.03424	2.3
57.07050	2.6
58.96247	1.2
67.05485	6.4
68.05818	2.2
69.03419	2.6
69.07055	28.7
69.59177	11.0
69.59598	4.4
70.07387	6.5
71.04998	2.6
79.05488	4.2
81.07037	6.6
83.01340	3.1
83.05000	1.5
85.06552	1.7
87.42731	1.4
91.05476	5.9
93.07027	13.3
94.07379	3.9
95.04951	3.0
95.08601	6.5
97.10199	2.0
105.03415	2.6
105.07020	4.4
107.08578	6.5
108.08918	2.8
109.10130	6.2
110.10454	2.0
112.36825	1.5
113.06034	2.6
119.04919	3.4
121.06521	2.1
121.10173	3.6
123.08064	1.6
123.11709	6.4
124.12022	2.1
131.08586	3.2
133.10101	2.5
135.08031	4.1
135.11615	9.8
136.12022	5.1
145.10164	2.5
147.04414	6.7
148.04729	4.6
149.01262	1.5
149.06010	2.4
149.09618	2.1
153.05452	6.6
154.05812	3.0
159.08047	1.4
161.09625	1.7
162.06763	2.2
163.07466	3.3
163.11171	1.6
164.07892	2.4
165.05450	17.2
166.05820	6.7
176.08167	1.9
177.09048	4.6
178.09402	3.7
179.06961	10.7
180.07365	6.3
191.07010	4.8
191.10594	2.2
192.07419	4.4
192.10892	2.0
193.08597	3.5
194.08907	2.4
197.04378	2.1
203.06984	2.6
204.07497	2.7
205.08594	17.3
206.08922	17.4
211.09573	2.0
215.07109	2.4
216.07387	2.0
219.10225	8.3
220.10480	7.5
221.08188	1.7
221.11739	4.6
222.08395	2.2
222.12021	2.5
223.09717	15.4
224.10016	16.9
231.10138	4.0
232.10493	6.4
237.11237	8.3
238.11499	7.3
242.09995	2.4
243.10208	4.4
244.10536	5.1
261.11145	7.8
262.11520	11.9
272.13583	3.5
276.13107	5.0
276.16714	2.5
287.16397	21.3
288.16702	50.1
288.19839	3.2
289.14182	3.0
289.17139	2.8
290.14713	9.5
292.16092	1.9
305.17581	3.6
306.17853	8.7
313.17920	1.6
328.19885	7.5
331.18890	1.9
344.22958	5.6
345.20505	22.1
346.20898	100.0
357.20673	1.8
358.20825	8.8
362.20029	2.3
363.21356	2.8
364.21832	11.9
383.19989	1.8
398.24042	3.0
414.26740	4.0
432.28064	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	450.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
55.05506	6.8
57.03428	2.2
61.02911	2.6
67.05507	4.4
69.03419	6.6
69.07051	6.4
71.04984	12.7
71.12761	4.2
71.13141	4.8
79.05489	15.2
81.03395	3.3
81.07047	28.0
83.04954	5.8
85.02895	20.7
85.06543	4.3
90.37303	2.0
91.05464	10.6
93.07035	32.2
95.04959	8.4
95.08597	19.0
97.06519	23.7
99.04427	11.1
101.06049	2.7
105.07025	19.0
107.04878	2.4
107.08573	19.8
109.06501	19.8
109.10149	6.6
111.04427	2.8
111.08073	6.0
113.05988	2.8
119.08592	14.1
121.06495	33.7
121.10120	5.1
123.04404	3.0
123.08061	3.3
123.11711	2.8
125.05991	3.6
127.04005	3.2
127.07529	13.3
129.07011	3.0
131.08545	4.5
133.10126	17.9
135.04430	4.5
135.08041	10.8
135.11685	3.7
137.06010	2.3
137.09654	2.6
139.07536	12.2
143.08572	5.7
145.10124	6.1
147.04437	2.2
147.11662	31.8
149.13171	2.9
151.07536	2.2
153.01752	2.4
153.09116	2.6
155.08536	2.0
157.08588	6.4
157.10100	13.9
161.02345	5.0
161.13194	6.0
163.03874	7.9
165.12743	17.9
171.11674	15.5
173.02368	6.6
173.09618	3.9
173.13240	3.0
175.11131	16.7
181.19110	2.2
189.05511	5.3
189.12700	20.6
193.04971	3.8
193.12251	11.2
199.11209	18.4
207.02901	18.0
207.13776	14.6
209.15359	9.9
211.13292	7.9
213.09087	2.4
215.07037	7.9
217.12215	56.3
217.14178	3.6
218.39146	1.9
229.14401	5.8
230.05278	2.4
235.13272	100.0
235.16917	4.1
236.13591	2.1
237.96776	2.1
241.08562	5.8
253.14325	98.3
253.18115	5.4
255.28262	2.4
257.04486	4.8
259.09650	42.8
271.15421	6.7
284.65265	2.2
287.05487	20.9
288.05814	54.3
289.06305	3.2
303.04990	11.7
304.05270	23.4
450.11121	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	450.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.3
61.02901	1.0
67.05494	0.3
69.03413	2.2
69.07041	0.5
69.81138	0.6
69.81559	2.3
70.06576	0.6
71.04980	0.5
72.08134	0.6
73.02900	1.2
75.04475	2.1
79.05450	0.4
81.03414	0.8
81.07034	0.8
83.01340	0.4
83.04964	0.6
84.04491	0.4
84.08141	0.4
85.02898	4.3
86.09712	0.5
91.03090	0.3
91.05466	1.0
95.04936	0.4
97.02881	1.9
98.20688	0.6
99.04484	0.6
105.03260	0.3
105.07006	0.5
107.04939	1.0
109.06510	0.4
111.04465	0.5
115.03914	0.6
116.07106	0.9
119.04929	0.7
119.08575	0.6
121.06506	0.5
122.03628	0.8
123.04446	1.8
127.03906	1.0
135.04399	1.3
137.05963	100.0
138.06279	2.4
139.03934	1.7
145.04971	1.0
147.04419	0.7
149.05980	1.1
151.03935	0.4
151.07500	1.3
153.01793	1.0
156.10170	0.8
163.03902	1.1
163.07521	0.4
163.31668	0.3
164.04608	0.5
165.05472	0.6
167.07069	1.1
175.07529	4.1
177.05411	0.5
179.07016	31.1
180.07359	0.7
193.08557	0.6
195.06474	0.8
197.08067	4.5
203.03445	0.5
205.08609	0.4
215.07079	1.0
217.04765	0.4
217.08566	0.5
221.08043	0.8
223.09616	0.8
235.09515	1.6
235.17021	0.4
252.97948	1.2
253.10695	8.6
271.11752	25.8
272.12024	0.8
287.05435	1.6
288.05914	3.8
289.06995	1.7
299.05719	0.5
300.05945	0.5
396.15088	0.4
433.04056	0.3
450.17480	0.6
451.10886	0.5
451.21466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
53.06418	1.4
55.01870	3.0
55.05507	7.7
57.03434	4.1
57.07060	3.1
59.13888	1.4
62.23833	1.4
67.05497	15.9
69.03425	4.2
69.07063	32.2
69.79692	10.9
71.01350	1.7
71.04992	14.2
76.49193	1.5
79.05487	14.0
81.03423	2.1
81.07050	17.9
83.01364	2.1
83.04974	2.2
83.08611	2.9
83.94134	1.2
85.02915	12.4
85.06534	3.5
87.48196	1.6
91.05465	12.0
93.07041	24.9
95.04970	6.3
95.08591	10.3
97.06533	3.0
97.10166	1.8
105.07022	10.1
107.04921	2.6
107.08585	16.0
109.06514	4.8
109.10146	10.5
113.06020	2.5
117.07027	5.2
119.08563	8.2
121.06498	5.9
121.10145	7.0
123.04445	3.2
123.08063	2.0
123.11688	5.8
125.09631	1.7
129.05479	2.2
129.06912	1.4
131.08574	6.2
133.10124	5.7
135.08046	5.8
135.11685	13.2
137.05937	2.7
137.09575	2.5
139.03922	4.7
141.05473	2.1
142.07878	1.7
143.08574	1.6
145.10092	3.7
147.11746	3.6
149.09607	5.2
149.13268	3.1
151.07533	2.1
153.01884	1.9
153.05447	7.0
157.06554	1.5
157.10098	3.0
159.04446	1.5
159.08047	3.4
159.11685	4.7
161.05951	1.8
161.09552	1.6
163.03885	13.5
163.07532	8.3
163.11186	3.0
165.05481	23.1
165.09096	3.0
167.07156	1.8
167.08536	1.7
169.10078	1.5
173.09703	1.6
175.07597	1.6
175.11208	2.1
176.08301	1.9
177.09103	5.9
177.12761	3.8
179.07031	20.6
179.08478	2.1
185.09538	1.8
187.07547	3.5
188.11443	1.4
189.09077	2.3
191.07051	6.5
191.10678	4.2
192.07729	2.4
193.08551	2.5
200.61061	1.5
201.09099	1.7
201.12752	1.6
203.07051	5.4
203.10611	1.6
205.08603	30.2
206.08902	1.6
209.35435	1.4
215.10634	2.4
217.08662	2.9
219.10146	12.3
221.11749	5.9
223.09625	32.3
227.10754	2.4
229.08626	1.5
231.10193	9.4
233.11610	1.7
237.11205	13.7
243.10162	6.4
257.11862	1.7
257.73370	1.8
261.11197	14.1
271.06000	3.5
271.13348	4.7
275.16583	2.2
281.15433	1.6
284.06973	2.2
285.07635	2.3
287.05508	18.0
287.16391	63.6
288.05936	1.8
289.14279	10.1
291.15356	1.4
293.15073	1.6
297.04001	4.8
297.07578	9.8
303.04962	28.8
304.05191	2.7
305.17496	11.0
311.09100	2.1
313.10812	1.9
327.19553	7.0
343.22586	4.5
345.20581	100.0
346.20966	1.9
357.20468	11.7
357.24344	2.2
361.19736	2.9
362.19598	1.5
363.21954	9.4
413.26740	3.1
431.28467	7.7
432.03830	1.5
449.08801	3.6
449.19559	16.1
449.29224	19.0
450.19879	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	449.289
Annotation	Xenortide B
Peak:m/z	Relative Intensity
67.05463	1.4
69.07064	21.6
69.85703	8.7
77.05399	1.0
79.05454	1.6
81.07034	6.4
83.01332	3.2
91.05461	3.1
93.07032	5.6
95.08601	1.2
105.03318	1.4
105.07020	1.9
107.08565	9.7
109.02879	1.2
109.06471	1.7
109.10134	1.4
111.08864	1.6
119.08620	1.4
121.06464	2.7
123.11691	35.6
131.08601	1.5
135.08054	4.0
135.11676	20.5
137.05981	3.0
149.06000	1.8
149.09599	2.7
153.05421	8.0
153.84163	1.3
159.08046	3.6
162.06750	4.7
163.07556	7.7
165.05455	73.2
166.05804	2.7
177.09074	12.5
187.07559	2.3
191.06964	5.1
193.08553	2.9
203.07030	1.2
205.08577	66.1
206.08806	1.9
209.08063	9.3
209.11545	1.4
211.09645	4.8
219.10115	2.4
221.08247	1.7
221.11711	36.3
222.12129	1.3
223.09622	100.0
224.09872	3.9
239.42912	1.2
269.15533	1.3
279.15918	2.1
287.16367	46.7
288.16714	2.0
291.15906	9.7
305.17361	6.6
327.19553	2.6
331.18900	2.8
343.19009	2.4
343.22668	6.3
345.20563	52.9
346.20807	2.9
357.20587	11.4
363.21704	8.1
373.38400	1.3
375.21503	1.6
380.19458	6.4
381.19678	2.4
413.26746	5.5
431.27969	2.2
449.26541	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	449.2889
Annotation	Xenortide B
Peak:m/z	Relative Intensity
69.06696	1.4
69.07056	17.5
78.40381	0.7
79.05491	1.1
81.07042	4.6
83.01339	3.9
91.05494	2.4
93.07036	7.0
94.93526	0.7
95.08612	2.0
98.21500	1.7
105.07004	1.1
107.08584	9.0
109.02942	1.1
109.06480	2.0
109.10146	2.0
119.08540	1.0
121.06476	2.8
123.11692	18.2
131.08539	1.2
133.10066	0.9
135.08046	4.7
135.11678	11.8
137.05949	1.9
149.05930	1.1
149.09596	3.1
153.05458	6.3
159.08064	4.6
162.06758	4.8
163.07516	5.9
165.05453	64.4
166.05736	1.0
168.27452	0.8
170.96327	0.8
177.05542	0.9
177.09087	13.4
182.93898	0.7
186.32928	0.8
187.07501	4.8
191.07021	1.3
193.08543	1.7
203.07016	2.3
205.08577	67.3
206.08963	1.7
211.09627	3.0
221.08342	1.3
221.11693	34.2
222.12024	1.5
223.09627	100.0
224.09917	2.7
229.97296	0.9
243.10098	1.1
247.13235	2.9
249.32822	0.9
269.15555	0.9
275.16510	1.2
279.15906	4.5
287.16388	40.8
288.17007	1.3
291.15881	10.8
305.17456	9.0
323.18634	1.6
327.19519	1.5
343.19070	1.3
343.22656	8.9
345.20569	54.0
346.20981	1.5
357.10904	0.9
357.20612	9.8
363.21671	4.1
375.21533	2.4
413.26682	6.0
431.28168	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	449.2895
Annotation	Xenortide B
Peak:m/z	Relative Intensity
55.05496	2.4
57.03434	1.8
57.07063	1.7
59.04987	1.9
67.05493	6.4
69.03427	1.5
69.06702	2.0
69.07061	30.7
71.04973	1.3
71.63175	1.0
79.05476	3.2
81.07050	7.1
83.01328	2.1
83.04968	1.4
85.02853	1.3
90.54216	0.9
91.05475	4.4
93.07028	15.1
95.04967	2.9
95.08600	4.3
97.10124	0.9
102.26467	1.1
105.03388	3.4
105.07021	3.4
107.08571	9.3
107.93600	1.1
109.06512	2.2
109.10143	5.2
113.05975	1.5
115.61000	0.9
117.07042	1.5
119.08561	3.0
121.06506	3.2
121.10126	3.7
123.08012	1.0
123.11714	4.7
130.94426	1.0
131.08557	2.6
133.10101	1.1
135.08052	3.1
135.11681	15.1
137.05949	2.7
141.05463	1.1
147.04373	1.6
149.05910	1.4
149.09608	2.8
153.05424	8.6
159.08093	2.7
162.06703	1.2
163.07571	3.5
163.11230	1.2
165.05473	20.4
165.09163	1.1
167.07129	1.2
169.04961	1.7
173.09627	2.9
175.07593	2.0
177.05481	2.4
177.09070	8.0
179.07024	16.4
185.09604	1.2
187.07465	2.6
187.11192	1.5
189.09036	2.0
191.07034	5.6
191.10683	4.1
192.07756	3.1
193.08604	4.0
197.04446	2.6
201.09016	1.9
203.07004	6.9
205.08591	29.2
206.08862	1.4
211.09639	1.5
215.07005	6.5
215.10599	1.5
217.08575	4.0
219.10127	14.0
220.10359	1.0
221.08234	1.1
221.11679	3.9
223.09644	28.6
229.08504	1.4
229.12270	1.1
229.49124	1.2
231.10123	8.0
233.08049	4.0
233.11700	2.4
237.11156	15.8
237.13370	1.3
243.10121	7.6
245.11752	1.7
257.11761	1.5
259.06161	1.2
259.13281	2.9
261.11221	15.3
271.13306	6.4
275.12814	10.0
275.15973	1.6
287.16391	63.1
288.16791	2.8
289.14374	10.7
303.05173	1.4
305.17456	11.2
327.19577	7.7
329.17551	1.5
343.18796	1.4
343.22644	3.7
345.20566	100.0
346.20895	4.1
357.20432	8.2
357.24063	1.2
361.20096	2.2
363.21664	9.3
375.21533	2.4
381.22437	1.4
397.23868	4.6
413.26944	1.5
431.27817	4.7
449.29144	4.4
461.32407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2891
Annotation	Xenortide B
Peak:m/z	Relative Intensity
54.38818	0.2
55.01867	0.4
57.07053	0.3
58.50041	0.2
60.68832	0.3
66.36666	0.3
67.05489	1.0
69.03422	0.5
69.07060	15.0
70.04230	1.5
71.05003	0.5
79.05477	0.9
81.07053	3.1
83.01318	3.3
83.44685	0.2
85.69675	0.2
91.05470	1.6
93.07039	2.7
95.04993	0.5
95.08600	0.9
98.21466	0.3
105.07029	0.7
107.04906	0.4
107.08583	3.7
109.02859	0.9
109.06519	1.2
109.10133	1.1
109.21246	0.3
113.06004	0.4
117.07012	0.5
119.04937	0.3
119.08543	0.5
121.06475	2.3
121.10128	0.9
123.08090	0.3
123.11692	15.5
127.03899	0.9
131.08559	1.6
133.10118	0.5
135.07043	0.3
135.08035	3.8
135.11679	5.9
137.05952	2.1
149.05943	0.8
149.09622	3.5
153.05458	4.0
159.08037	4.3
161.05923	0.4
162.06750	4.3
163.07532	8.6
165.05460	60.8
166.05818	0.5
167.06964	0.3
175.07567	0.4
177.05402	0.3
177.09088	12.1
178.46419	0.2
179.06996	0.4
181.08374	0.3
183.06595	0.3
187.07513	3.8
189.05440	0.3
190.06293	0.4
191.07002	0.6
193.08589	0.8
203.06996	1.9
205.08583	64.5
206.08890	0.5
207.09982	0.3
211.09677	1.3
219.10223	1.2
221.08098	1.3
221.11702	40.0
223.09625	100.0
224.10031	0.4
229.08513	0.5
231.10089	0.6
237.11092	0.3
243.10167	0.6
243.96860	0.3
245.11852	0.3
247.13261	0.4
258.11981	0.3
259.13013	0.3
261.11224	0.6
269.15448	0.4
271.13147	0.4
273.14658	0.3
275.16354	0.6
287.16385	25.2
291.15872	13.6
305.17432	10.3
323.18555	1.6
325.21503	0.5
327.19482	0.8
343.18884	1.3
343.22604	6.0
345.20572	29.7
357.20578	5.7
361.19885	1.0
363.21609	14.4
375.21564	1.8
381.22614	0.6
413.26837	3.7
431.27780	0.7
449.28745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2891
Annotation	Xenortide B
Peak:m/z	Relative Intensity
51.86382	0.6
55.05487	0.7
64.87361	0.7
67.05490	1.5
69.03417	1.4
69.07059	24.2
69.86908	2.2
69.87337	2.8
71.05013	0.7
79.05491	1.6
81.07064	1.7
83.01320	1.4
91.05464	2.0
93.07028	9.0
95.04958	1.1
95.08556	1.3
98.20749	1.0
105.06992	1.5
107.08595	4.8
109.06429	1.0
109.10145	2.1
113.06002	1.5
119.08554	0.7
121.06506	2.5
123.08046	0.9
123.11712	2.3
131.08522	1.3
135.08015	1.9
135.11649	5.5
137.05991	1.2
141.05492	0.8
149.09616	1.1
153.05440	4.8
159.08090	1.3
162.06696	1.1
163.07529	2.1
165.05458	15.8
165.06796	1.2
165.09088	1.0
167.07025	1.3
173.09590	1.3
175.07555	1.2
176.08293	1.1
177.05597	0.9
177.09088	5.7
179.07005	16.6
187.07501	1.9
187.11316	0.7
189.09077	0.8
191.07016	6.5
191.10677	3.3
192.07811	2.2
193.08571	2.8
197.09634	0.8
201.09071	1.5
203.06958	5.5
205.08565	23.2
209.11583	0.7
211.09601	1.7
215.10628	3.2
219.10141	9.9
221.11732	1.8
223.09607	15.7
225.09146	0.7
229.08620	0.7
229.12163	0.8
231.10146	5.9
233.11632	2.0
237.11176	9.3
243.10147	11.5
243.12589	0.9
243.13770	1.1
245.11678	1.4
257.11795	0.7
259.13425	1.7
261.11215	15.3
268.50067	0.7
271.13199	3.8
275.16473	2.7
287.16382	58.6
289.14386	7.5
305.17401	11.1
327.19531	6.8
343.19040	1.4
343.22681	4.6
345.20560	100.0
346.21094	1.6
357.20526	6.6
361.19855	1.3
363.21686	6.8
375.21515	2.2
413.26715	2.2
431.27847	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2528
Annotation	Ugaferin
Peak:m/z	Relative Intensity
50.33598	1.8
53.03946	2.3
55.05492	4.8
57.07062	6.8
65.03905	2.3
67.05497	10.3
69.03409	5.6
69.07060	3.3
71.04977	17.7
71.25022	5.6
79.05495	5.6
79.15376	2.3
81.07048	6.7
83.04971	8.7
85.06530	7.2
91.05485	9.6
93.07033	25.9
95.04957	10.1
95.08579	3.2
97.06523	7.0
105.07020	10.5
107.08576	32.9
109.06502	6.3
113.06003	29.2
117.07032	2.7
119.04948	2.7
119.08598	6.0
121.06489	7.4
121.10154	6.7
122.70458	2.1
123.04405	4.8
125.05997	2.3
131.08588	4.1
133.06467	2.9
133.10123	10.7
135.08116	3.1
135.11670	42.5
137.05937	3.1
143.08534	2.6
145.06476	2.1
147.11684	3.4
149.05943	5.7
149.13187	2.4
151.03821	2.1
151.07536	4.2
153.05505	4.0
155.17296	2.0
157.10214	4.0
159.11681	5.2
161.05997	4.5
165.05470	3.0
167.06999	7.4
167.08424	2.4
171.11708	4.8
175.07513	3.5
175.11221	4.2
177.05473	11.2
177.12749	4.1
179.07002	11.6
183.11719	2.4
191.07085	2.6
191.10696	3.0
193.80704	2.0
193.82422	2.2
195.06500	7.1
197.08084	11.7
199.11128	3.2
203.07018	8.7
203.10651	5.0
207.06551	7.5
209.08058	2.9
211.07600	2.3
211.11195	4.4
213.09132	4.1
213.12764	2.4
215.10600	2.8
217.12231	2.4
219.06551	2.9
219.10110	4.5
221.07872	10.3
221.11592	2.9
225.12561	2.3
227.10632	7.8
231.10150	2.9
239.08824	2.8
239.10945	2.4
243.10126	3.9
245.11777	7.9
255.10167	15.5
255.13794	5.5
257.11722	4.8
261.11227	3.8
271.13513	2.2
271.16760	2.2
273.11169	41.5
279.12332	3.0
279.17325	3.2
283.16922	5.0
291.12131	18.4
297.13312	21.9
297.18518	6.3
301.18182	2.7
307.16846	6.8
309.13162	78.6
323.16422	3.3
324.17148	21.8
325.17996	24.0
337.02332	10.6
341.17340	4.2
343.18948	10.1
349.21539	3.1
361.20062	3.3
367.22818	3.6
377.21130	7.1
393.08490	18.6
395.22076	30.0
413.23190	85.8
414.23462	2.2
431.24237	100.0
432.24777	5.0
449.29419	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01855	1.3
55.05492	3.3
57.03417	1.1
57.07075	5.7
59.95052	0.7
61.94726	0.8
66.04234	0.7
67.05499	9.3
67.17876	0.7
69.03425	4.3
69.07050	2.9
71.04981	9.4
71.05350	1.5
71.05748	1.3
73.42660	0.6
74.34763	0.8
79.05496	6.3
79.41392	0.6
79.98488	0.8
81.03400	1.3
81.07044	6.8
83.01324	1.6
83.04975	8.3
83.19199	0.7
85.02876	2.0
85.06540	3.8
91.05467	5.1
93.03372	0.8
93.07037	7.7
95.04955	8.9
95.08596	3.5
97.06523	3.6
105.03371	0.7
105.07027	6.0
106.07298	0.8
107.04932	2.0
107.08580	7.0
109.02865	0.8
109.06525	3.6
109.10140	1.7
113.05985	23.9
117.06973	1.0
119.04913	1.4
119.08563	3.0
121.06467	4.4
121.10152	3.0
123.04414	4.4
123.08056	3.1
123.11678	2.9
125.02389	1.2
125.06001	0.7
129.06978	1.4
131.08484	1.8
133.06464	2.6
133.10101	2.2
135.08025	2.6
135.11691	5.5
137.02377	0.9
137.05951	2.1
137.09653	0.8
141.05406	0.8
141.06944	1.1
142.07799	0.7
143.08575	1.3
145.06485	1.2
145.10063	0.8
147.08015	1.7
147.11658	2.0
149.05940	3.9
149.13234	0.9
151.01485	0.9
151.07547	4.6
153.05403	3.9
157.10065	1.2
159.11697	0.8
161.06009	5.0
161.09584	0.9
163.07509	1.5
163.11148	0.9
165.05447	3.2
165.06728	0.8
167.07005	1.7
171.11684	1.4
173.09567	1.9
175.01514	0.9
175.07567	3.2
175.11145	2.2
177.05446	14.7
177.09166	0.9
179.07005	8.5
179.08449	0.9
184.08846	0.9
185.05907	1.1
185.09613	2.1
189.05458	1.3
189.08989	1.0
191.07042	1.3
191.10674	0.9
195.06500	9.3
197.08061	15.9
199.11128	2.2
201.09093	1.6
202.10002	0.8
203.07019	6.8
203.10660	2.6
205.04990	1.3
205.08647	2.5
207.06566	3.6
212.08308	1.1
213.09102	3.2
217.12202	2.3
219.06384	1.1
219.10147	1.2
221.08070	8.4
221.11592	1.5
223.09575	2.8
225.07510	2.5
227.10632	5.7
229.12216	0.8
231.10069	3.5
239.09099	1.8
245.11671	12.1
249.11212	2.8
255.10124	18.3
261.11224	0.9
273.11163	51.1
274.11642	1.1
287.05453	13.3
288.05780	1.5
291.12210	20.1
297.13345	0.8
303.04993	4.9
309.13278	100.0
310.13629	2.1
324.17120	1.2
325.17966	1.1
337.02380	5.8
339.23132	0.9
343.18961	2.9
345.20557	1.9
357.24362	0.9
361.20227	1.1
363.21741	0.8
377.21033	0.8
393.08527	12.8
395.22052	5.0
413.22974	6.7
431.24176	58.5
432.24637	1.4
449.08728	0.8
449.24921	4.1
449.29230	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.0
55.01876	6.3
55.05509	27.6
57.03421	28.8
57.07055	14.6
63.36530	4.6
65.03914	7.0
67.05498	77.2
69.03425	9.8
69.07054	66.6
70.37775	22.7
71.04980	27.5
74.80521	4.2
79.05481	59.8
81.03410	10.0
81.07047	78.4
83.04958	15.6
83.08628	11.7
85.02885	14.0
85.06559	11.8
91.05468	52.1
93.07033	86.8
94.91515	4.1
95.04948	17.0
95.08597	36.4
97.06517	15.5
97.10138	7.5
99.04425	8.6
99.08094	5.6
103.05454	5.4
105.03360	10.8
105.07025	51.7
107.04942	6.5
107.08579	62.9
109.06515	10.6
109.10143	24.1
111.04448	4.5
111.08022	7.0
113.05993	6.2
115.84929	4.5
117.07014	18.3
119.08547	28.6
121.06475	15.1
121.10120	42.5
123.08064	12.0
123.11679	6.0
129.06973	5.1
131.08560	25.0
133.10110	100.0
133.11058	9.2
135.08043	18.3
135.11682	44.4
137.05974	5.6
137.09608	12.1
143.08505	9.6
145.10103	16.2
147.04475	5.4
147.08064	6.9
147.11693	7.9
149.05946	10.4
149.09610	11.3
149.13271	20.3
151.11229	5.2
157.10123	14.2
159.11703	18.8
161.09637	9.2
163.07504	15.2
163.11140	16.2
165.05530	12.3
165.09087	7.2
173.09599	15.3
175.07451	7.0
175.11143	7.5
177.05493	4.8
177.09134	7.9
177.12727	10.3
179.07043	9.0
183.11647	7.0
185.09592	6.3
185.13266	7.0
191.06993	66.2
193.08563	5.8
195.13815	5.8
197.09697	6.1
197.13232	5.7
199.11134	8.0
201.12683	7.3
203.06868	10.1
203.10646	6.2
205.08557	12.9
205.12253	4.8
206.08928	6.3
207.06528	10.0
209.08043	99.5
209.13327	5.6
219.10185	7.9
221.08099	9.2
221.11598	7.7
223.09537	8.3
225.10211	5.5
225.12608	5.4
229.12244	6.2
229.15800	5.6
231.13599	5.3
235.09637	7.4
247.09724	9.7
255.13486	4.7
261.11121	7.5
263.12814	5.9
265.14203	9.6
267.13834	7.0
277.14349	14.1
285.14792	9.8
287.05435	13.3
287.12866	6.0
287.16339	7.7
291.15372	4.6
303.04944	32.6
308.15799	10.4
309.15891	11.6
311.16336	14.5
323.20142	5.6
325.17996	6.3
327.15958	7.5
329.17490	75.6
341.17352	5.9
341.21149	9.2
343.18710	6.6
345.20428	6.2
347.18411	29.9
363.18048	9.2
369.24200	7.7
375.25119	7.9
379.22717	20.6
397.23633	72.5
413.27158	26.8
414.23859	8.7
415.24695	23.5
431.24115	19.4
431.28445	8.5
449.29614	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05500	5.3
57.03441	1.5
57.07058	1.8
67.05498	15.9
69.03423	2.3
69.07063	11.6
69.85716	9.5
71.04991	9.5
77.64730	1.2
79.05477	9.4
81.03407	2.1
81.07040	13.3
83.01332	1.5
83.04974	1.9
83.08611	1.8
85.02895	2.2
85.83992	1.2
91.05466	7.1
93.07039	14.3
95.04964	8.1
95.08585	7.3
97.06532	8.9
97.10155	2.1
98.21442	2.3
105.07035	7.0
105.99773	1.2
107.04929	2.3
107.08579	9.2
109.06511	4.5
109.10152	7.6
111.04398	1.4
113.06001	3.2
119.08582	5.3
121.06520	5.3
121.10134	5.7
123.04347	1.7
123.08025	2.4
123.11683	8.2
131.08568	2.7
133.06483	2.8
133.10115	4.4
135.08118	2.4
135.11676	10.7
137.09575	1.7
145.10123	4.6
147.11690	4.1
149.05969	4.7
149.13248	2.8
151.07524	2.1
153.05420	3.3
157.10181	1.8
159.11674	2.2
161.06041	1.7
163.03787	1.6
163.07500	1.9
163.11191	2.3
165.05516	11.6
171.11667	2.5
173.09662	3.3
175.07530	3.4
175.11258	2.4
177.05426	13.1
177.09097	1.7
177.12766	2.1
179.07036	3.5
179.10666	4.4
181.12302	1.5
185.05832	1.7
186.26160	1.3
189.09146	1.5
191.10431	1.7
193.12280	3.8
195.06529	4.2
199.11197	2.4
201.09079	1.7
203.07042	3.5
203.10626	4.8
205.04878	1.7
205.08574	11.5
207.13890	1.9
209.11703	1.8
213.09097	1.8
217.08557	2.5
217.12251	1.6
221.08186	2.7
221.11700	7.1
223.09642	12.8
230.09221	1.6
231.10146	2.5
235.13274	2.3
237.65822	1.4
245.11798	9.7
245.15424	1.8
255.10077	2.9
263.16489	1.3
273.11197	41.1
273.14243	2.8
283.16827	2.5
287.05530	5.2
287.16391	11.6
291.12280	28.4
291.15665	3.9
292.12698	1.8
301.17990	1.6
303.04913	7.5
305.17432	7.1
309.13358	4.8
319.19012	1.7
325.18152	1.9
327.16019	1.8
329.17218	1.4
343.18976	2.5
343.22647	4.6
345.20480	5.8
348.47421	1.6
357.20480	8.7
363.21750	2.1
395.22083	3.8
413.26910	100.0
414.27097	3.7
431.24042	18.5
431.28235	13.9
449.29428	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	449.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57856	0.6
53.03941	1.1
55.01852	0.8
57.03422	3.2
57.14756	0.7
61.02911	1.1
67.05495	1.2
69.03419	2.7
69.07061	1.3
70.06606	1.4
71.81380	1.3
72.19293	0.8
75.04523	1.0
76.90056	0.9
79.05479	5.4
81.03390	1.1
81.07051	1.8
83.04971	0.9
84.08087	0.7
85.02906	6.2
85.06499	0.8
86.09691	1.3
91.05464	2.8
93.07066	1.5
94.76504	0.7
95.04942	2.0
95.08577	1.4
97.02862	1.6
97.06497	0.9
99.04426	0.9
103.05455	5.4
105.07027	4.4
107.04943	45.2
107.08582	0.9
107.46680	0.7
109.06496	0.8
115.05453	2.5
117.07036	1.5
120.08109	0.8
121.02839	2.0
121.06498	2.0
123.04420	2.8
124.05207	1.3
125.05933	1.2
127.03879	2.2
131.04898	2.6
133.06482	1.9
135.08038	15.4
136.07494	1.1
137.02354	0.8
137.05940	1.3
139.03865	2.1
145.04938	1.1
145.06358	0.8
145.10097	1.1
147.04382	0.8
149.06001	1.3
150.06769	0.7
153.01868	0.7
154.06197	2.2
155.08528	0.8
155.10590	1.7
162.06718	0.7
163.07530	36.3
165.05466	3.8
165.09105	1.0
167.07024	100.0
168.07614	1.1
179.07062	1.3
180.07802	2.6
181.08629	1.3
181.12192	0.9
185.05904	0.9
193.08635	3.7
195.10152	27.4
205.08554	2.4
211.09651	7.5
213.11195	88.5
214.11577	0.8
221.11671	1.1
223.09673	3.3
223.13261	1.0
229.08575	4.6
239.93106	0.8
241.04903	1.0
241.14299	0.9
257.08096	2.9
269.13608	0.9
287.05481	21.5
287.14825	28.4
303.04886	2.9
345.20596	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33068	0.6
56.37324	0.6
60.04507	1.7
61.02919	0.6
69.03418	1.7
71.79295	0.9
84.04491	2.6
85.02888	3.4
86.09697	2.1
97.02889	1.7
98.97572	1.8
106.04997	3.7
116.98608	1.1
119.01912	1.4
126.05529	2.6
127.03901	1.1
133.06075	1.3
135.04425	0.8
138.05475	0.9
145.04953	1.2
158.99686	0.7
163.03868	3.8
169.03514	1.1
187.04497	1.3
188.31273	0.7
196.06494	0.7
201.00638	0.8
201.22075	0.8
204.08690	1.6
221.19728	0.7
236.82317	0.8
246.14529	2.4
261.02847	1.0
272.06403	1.6
275.06146	2.1
287.05450	12.2
293.07391	0.9
301.07721	0.8
389.09439	1.2
407.10684	1.3
449.14206	100.0
450.14581	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	449.1073
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.03933	0.2
55.01851	0.3
55.05492	0.5
57.03412	0.3
61.02894	0.7
67.01850	0.5
68.99754	0.3
69.03403	1.0
69.76119	1.5
69.76526	0.4
71.04977	0.4
72.08146	0.4
72.89305	0.3
81.03413	0.6
81.07040	0.5
83.08610	0.3
84.04497	0.4
85.02891	3.6
90.94798	0.4
91.05440	0.4
93.07022	0.4
94.22144	0.2
95.04903	0.3
95.08595	0.3
96.45242	0.2
97.02853	0.8
97.06568	0.2
98.20718	0.5
99.04451	0.2
105.07021	0.3
107.04952	0.4
109.02818	0.4
123.04441	0.4
126.11999	0.2
127.03869	0.6
129.01825	0.2
130.04965	0.3
132.95770	0.3
135.04402	1.7
136.92303	0.2
137.02310	0.3
144.95872	0.2
145.02831	1.3
145.04910	0.5
149.05865	0.4
153.01802	5.1
153.05438	0.3
158.97377	0.8
161.02287	0.6
162.05499	0.3
162.96828	0.3
165.05424	0.2
167.06996	0.3
171.02934	0.4
176.98534	0.4
184.61742	0.2
198.96796	0.3
203.03360	0.3
205.08554	0.4
209.08063	0.5
216.97878	0.7
223.09653	0.3
231.06602	0.3
234.98991	3.8
241.04831	0.5
253.00084	0.3
257.04800	0.3
259.06107	0.3
269.04404	0.7
287.05457	100.0
288.05795	2.3
291.09708	0.4
299.05811	0.3
303.04987	0.9
317.06754	5.2
373.55783	0.3
427.97925	0.3
449.10516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03925	0.4
55.01861	0.4
55.05493	0.6
57.03170	0.4
57.03428	4.8
59.04967	0.3
61.02888	0.4
67.05486	0.4
68.99783	0.7
69.03405	0.7
69.99844	1.9
71.04984	27.5
73.02889	0.8
75.04465	0.7
77.48381	0.3
79.05460	0.4
81.03388	0.5
83.04954	0.5
84.08088	0.3
85.02894	27.5
86.03236	0.4
87.04456	0.8
95.04905	0.5
97.02859	0.4
98.20760	0.4
105.03346	0.3
111.00750	0.6
111.04424	0.7
121.02842	1.2
123.04393	0.3
127.03860	0.4
129.05463	7.4
137.02348	3.5
143.06970	0.3
145.04970	0.3
147.06490	1.1
153.01799	4.1
155.34950	0.3
158.97368	0.3
161.07106	0.4
163.03891	0.6
165.01814	1.7
165.05429	0.5
173.06009	0.4
182.47121	0.3
183.02850	0.6
191.03360	0.5
201.05434	1.6
205.08678	0.5
211.07513	0.4
215.03331	0.3
223.09605	0.7
229.04927	4.2
229.08609	0.6
234.99025	0.9
247.05991	0.7
257.04456	2.4
257.06848	0.4
274.04599	0.7
275.05432	0.3
285.03918	0.9
287.05515	3.8
303.04956	100.0
304.05338	2.7
315.04926	0.8
317.06790	1.2
345.05899	1.1
345.20389	0.5
369.06342	0.3
395.07654	0.3
413.08594	0.9
449.10815	0.6
449.19565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
57.03403	0.2
65.64868	0.1
67.01826	0.5
68.99769	0.3
69.03397	0.3
70.94445	0.3
70.94782	0.1
71.04982	1.0
71.39653	0.1
75.04420	0.4
75.04854	0.1
76.87074	0.1
79.05469	0.1
83.37344	0.1
85.02892	1.3
97.02855	0.2
107.04942	0.1
117.03348	0.2
127.03909	0.1
129.05447	0.2
135.04398	1.3
135.56303	0.1
137.02267	0.5
153.01796	4.6
161.02313	0.5
171.02841	0.5
179.03325	0.4
241.04982	0.4
263.05188	0.2
269.04391	0.5
286.04510	0.2
287.05453	100.0
288.02765	0.3
288.05771	2.4
303.04956	4.4
449.10739	27.4
450.10870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01850	0.2
56.51600	0.1
67.72002	0.1
68.36779	0.1
68.99785	0.3
69.84624	0.2
69.85032	0.8
81.03416	0.1
83.04965	0.2
84.04477	1.0
85.02879	0.4
86.09676	0.4
87.57528	0.1
91.05493	0.2
93.55629	0.1
105.06987	0.2
111.00784	0.3
111.04438	0.2
115.05439	0.2
119.04916	0.3
121.02834	0.4
123.04419	1.1
129.06956	0.2
130.04997	1.5
131.28578	0.1
135.04393	0.4
135.11647	0.1
137.02338	2.2
139.03867	0.5
139.05403	0.2
141.07022	0.2
143.04854	0.2
145.46802	0.1
147.04369	0.9
147.07603	1.8
149.02321	0.5
149.05963	0.1
151.03868	2.1
157.06470	0.5
161.05978	0.4
163.03839	0.5
165.01805	0.3
165.05447	0.8
171.04434	0.3
173.05936	0.3
175.03836	0.3
181.04866	0.3
185.05957	0.7
189.05421	0.4
193.04930	0.2
199.03844	0.2
203.03442	0.2
205.08582	0.2
207.06570	0.2
211.07436	0.2
211.34737	0.1
213.05428	2.0
216.04187	0.2
221.11569	0.2
223.09671	0.4
223.97719	0.2
229.08484	0.3
231.06532	0.7
241.04930	0.9
251.97162	0.2
252.98022	0.1
257.04871	0.1
257.08002	0.5
258.05374	0.2
259.05957	0.4
269.04367	0.5
287.05453	100.0
288.05759	2.0
303.05304	0.2
303.08557	3.8
325.75580	0.1
345.20560	0.2
426.02304	0.5
449.10706	2.0
449.16296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03934	0.2
54.39247	0.2
57.03430	0.4
61.02609	0.3
61.02920	6.2
68.99768	0.5
69.03407	0.8
70.27469	0.7
70.27886	0.4
73.02900	1.3
81.03396	0.5
85.02894	5.1
91.03941	3.7
95.04999	0.2
97.02886	3.0
99.04438	0.4
105.03394	0.3
107.04962	0.4
109.02824	0.3
111.00780	0.6
121.02852	2.6
127.03870	1.0
129.07056	0.2
133.02802	0.3
137.02306	0.9
145.04944	0.5
145.06503	0.3
147.04387	0.5
151.03848	0.2
153.01810	3.8
157.06439	0.6
165.01817	1.2
166.69528	0.2
171.04323	0.3
180.38756	0.2
183.02879	0.8
185.05983	0.7
213.05463	1.4
231.06459	0.6
241.04932	1.1
247.76286	0.2
258.05219	1.2
259.05945	0.4
269.04453	0.8
287.05460	100.0
288.05835	2.2
299.05438	0.2
442.40073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
50.63181	0.6
57.03428	3.4
69.03409	0.8
69.87987	0.7
69.88269	1.3
69.88671	2.3
71.04983	30.3
73.02885	0.7
75.04466	0.8
85.02895	29.3
91.31763	0.7
107.72307	0.7
111.00826	1.0
129.05461	7.6
137.02328	3.2
137.86388	0.6
147.06483	1.8
153.01820	3.2
163.04065	0.8
165.01808	2.0
195.02779	0.5
201.05466	1.0
229.04860	4.0
243.29472	0.6
257.04419	2.4
303.04965	100.0
304.05310	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	449.0863
Annotation	XL147
Peak:m/z	Relative Intensity
55.55766	0.3
57.03405	0.3
58.15130	0.3
64.06187	0.2
64.06527	0.3
65.93290	0.3
68.99765	0.3
70.17113	1.6
71.04996	1.4
85.02898	1.4
90.33791	0.4
91.05406	0.3
119.04888	0.6
123.04413	7.3
129.05400	0.3
139.05396	0.6
141.06929	0.6
147.04338	1.1
157.06552	0.4
165.05499	0.6
168.05743	0.4
171.04402	0.3
179.04768	0.4
185.05925	0.6
186.06691	0.5
195.04361	1.1
196.05162	1.4
197.05937	1.6
201.05484	0.5
205.08499	0.4
213.05450	8.2
214.06126	2.2
223.03873	0.9
223.09676	0.3
225.05434	1.3
227.03264	0.3
229.04961	0.5
241.04913	5.7
242.05692	3.3
247.91121	0.3
253.04909	0.7
269.04410	11.6
270.05185	7.0
271.05539	0.4
283.05969	0.5
285.03882	2.2
287.05490	2.1
297.03891	100.0
298.04633	23.5
299.05194	1.0
303.04974	4.6
309.03961	2.0
311.05444	2.7
325.03439	0.4
327.04944	11.3
344.79971	0.3
431.07492	0.5
449.08630	97.1
450.08957	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	449.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83424	0.1
53.03925	0.2
57.03413	0.6
61.02919	6.2
61.96391	0.1
68.99786	0.6
69.03419	1.0
69.93967	0.9
73.02903	1.4
79.05482	0.3
81.03404	0.5
85.02893	5.4
87.55145	0.1
91.03942	3.2
95.04948	0.2
97.02883	2.9
98.21426	0.2
99.04443	0.3
99.50301	0.1
105.03358	0.2
107.04918	0.3
109.02853	0.5
111.00792	0.8
115.03875	0.2
119.90082	0.1
121.02840	2.8
127.03890	0.9
133.02811	0.3
137.02324	1.0
145.04935	0.6
145.06425	0.2
147.04356	0.4
153.01805	3.9
157.06470	0.5
165.01831	1.7
169.18626	0.1
171.04373	0.3
183.02884	0.9
185.05960	0.5
203.03481	0.1
203.07126	0.1
213.05412	1.3
216.32173	0.2
231.06451	0.7
241.04932	1.3
243.06432	0.2
258.05225	1.3
259.05981	0.3
269.04407	0.9
269.17453	0.2
287.05457	100.0
288.05759	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	448.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44574	2.1
53.82970	1.9
55.05499	6.2
56.05844	2.5
57.07074	16.8
63.08123	2.7
67.05474	2.8
69.07055	23.5
69.72545	6.3
69.72974	12.7
70.07399	3.7
71.08626	11.4
72.08937	2.5
79.05460	2.3
81.07047	5.2
82.15533	2.2
83.01366	2.5
83.08611	9.8
85.10149	5.3
93.07028	6.6
95.08589	3.7
97.10146	8.1
106.84598	2.1
107.08585	2.6
109.10134	7.2
111.11705	6.2
119.08599	3.8
121.06509	8.6
123.11710	3.0
135.08034	3.1
135.11655	3.1
136.08839	15.5
137.09583	14.4
139.07480	4.6
149.02336	8.9
149.06073	2.4
149.09560	3.0
151.07509	2.4
163.07564	2.7
164.08310	29.2
165.05460	22.1
165.09100	100.0
166.09505	4.2
177.05460	2.1
177.09122	8.0
181.08582	3.1
182.08908	2.5
205.08611	23.2
205.12201	8.2
221.11684	9.8
223.09612	26.1
270.10043	2.2
287.16379	8.0
291.15878	2.2
305.17542	2.2
331.31540	2.6
345.20810	10.8
363.21710	3.0
413.26904	3.1
430.26831	3.1
430.38031	60.1
448.38528	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	1.3
60.97991	0.3
71.03383	0.6
71.03718	0.5
79.05468	0.6
84.04490	0.4
85.02891	0.5
89.03930	0.5
89.05994	0.5
91.05476	0.6
92.62634	0.3
93.07021	1.1
95.04946	0.4
103.05452	5.1
107.04935	1.5
111.69833	0.2
111.76997	0.2
119.04941	0.6
120.08086	100.0
121.08523	4.9
131.04912	2.7
135.04391	0.7
143.00203	0.4
145.02846	0.5
147.04378	2.2
148.04720	0.4
149.05957	2.2
152.97179	0.3
163.03885	3.5
165.56598	0.3
166.08615	60.0
167.08955	1.0
189.00726	0.4
221.24190	0.3
223.97728	0.3
237.02869	0.3
249.02780	0.3
252.97820	0.4
255.01823	0.3
272.26746	0.3
287.05450	4.7
362.02890	0.3
426.02289	0.6
449.14185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
56.96552	2.7
57.03421	1.1
59.96210	0.3
60.04514	59.7
61.02914	0.9
61.06876	0.3
63.02382	0.4
64.62467	0.4
68.48321	0.3
69.03416	4.8
70.02942	1.0
70.06572	0.7
71.04956	0.5
73.02896	1.3
74.02430	0.5
79.05476	0.8
81.03403	1.2
82.52655	0.3
83.04959	0.7
84.04494	1.3
84.08131	0.4
84.96036	0.7
85.02889	12.2
86.03228	0.4
86.06057	0.6
86.09684	0.4
87.04460	0.7
88.03976	11.9
89.03905	4.6
91.03882	0.4
91.05455	0.5
95.04939	1.1
97.02875	6.1
98.21487	0.9
98.97546	2.3
99.04450	1.0
101.02379	0.4
104.07094	0.9
106.05009	100.0
107.04927	1.1
109.02878	1.1
110.97548	0.6
111.04401	0.3
116.07075	0.6
116.98621	2.4
117.03354	4.2
119.01864	0.6
119.04922	0.7
123.04371	1.7
124.99158	0.4
127.03899	7.0
128.98587	1.9
130.04922	0.4
131.00185	0.6
131.01848	0.6
133.02773	0.6
133.05975	0.3
134.04485	0.5
134.99615	1.0
135.04388	8.6
137.02301	1.1
139.03799	0.4
139.12474	0.3
143.00163	0.8
145.02773	5.1
145.04924	6.1
146.99594	1.3
147.04378	3.0
147.07637	0.5
148.04710	0.5
148.05995	0.4
149.01236	0.3
151.03830	0.6
155.02869	0.4
158.99641	1.3
161.01190	1.9
161.02866	1.0
163.03879	45.4
163.06058	1.1
164.04218	3.0
165.05452	1.0
169.03413	0.7
170.99603	1.4
171.05022	0.3
173.02968	0.4
177.00691	2.0
179.02228	0.5
182.03380	0.3
182.99626	0.7
184.02563	0.4
185.01155	0.7
185.02769	0.5
187.04462	1.0
189.00685	2.9
191.03874	1.0
200.04330	0.7
201.00696	2.6
203.02141	0.5
204.01508	0.4
205.00058	0.6
207.01714	0.8
213.00676	0.4
213.05461	0.8
215.03819	0.5
219.01706	2.9
221.02919	1.4
222.03049	0.6
231.01714	0.6
231.06474	0.4
237.00568	0.6
237.02814	1.8
240.02274	0.7
243.01736	0.6
243.45610	0.4
245.05029	0.8
249.02689	0.7
252.97900	0.5
257.04901	0.4
261.02701	4.0
263.05933	0.6
267.03836	0.8
271.04221	0.5
272.06537	2.3
272.56738	0.5
275.06012	1.4
275.97186	0.7
277.07053	0.7
279.03964	2.3
281.06992	0.6
286.07336	0.8
287.05453	41.4
291.03830	1.9
301.07370	0.5
309.04706	0.8
321.04800	1.5
345.04791	0.4
345.94531	0.4
351.06030	0.7
377.07028	0.9
381.06876	1.1
389.09250	0.4
399.08075	0.9
407.10199	0.8
423.08026	1.1
426.02029	0.7
449.14542	5.5
473.43146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2735
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
55.01872	2.9
55.05500	4.3
55.23750	2.2
57.07055	4.8
62.73138	2.3
67.05490	15.5
69.03390	3.2
69.07057	48.7
69.85580	19.1
71.04974	8.5
79.05476	6.7
81.07043	21.5
83.01319	8.6
83.04948	2.9
90.35442	2.2
91.05467	7.2
93.07024	12.1
95.04942	4.7
95.08571	10.3
105.03400	17.4
105.06995	7.4
107.08578	11.0
109.02828	3.1
109.06504	16.9
109.10139	35.2
111.04424	2.6
119.08519	6.0
121.06486	6.7
121.10123	9.9
123.08053	4.4
123.10864	3.4
123.11690	37.4
125.09626	2.5
127.03956	3.1
127.11158	3.3
131.08556	4.5
133.10074	12.1
135.08015	10.6
135.11658	8.5
137.05922	5.1
141.94792	2.3
145.10069	3.4
147.11670	2.7
149.09578	7.7
151.11139	6.7
153.05428	24.5
159.08009	7.2
161.09593	3.1
162.06758	6.7
163.07535	12.0
163.11157	5.0
165.05458	88.4
165.12772	3.0
167.06979	16.9
175.07510	2.8
177.05458	5.3
177.09081	19.7
179.03365	17.5
179.06943	3.3
187.07515	6.0
191.06967	17.4
193.04910	7.1
193.08588	6.0
197.04430	7.5
199.14694	2.3
203.07004	15.6
205.08580	92.1
207.10071	3.8
215.10600	3.2
217.08539	4.1
219.10083	7.8
221.08044	6.5
221.11707	50.6
223.09604	100.0
229.08574	3.8
233.11694	4.4
235.09653	7.5
243.10059	25.4
245.08107	3.6
245.11684	7.6
247.09576	25.2
257.07953	18.6
259.13269	12.6
261.11194	31.0
267.13693	3.4
269.11465	4.3
273.14838	7.3
275.16263	4.4
285.14749	22.5
287.12704	8.6
287.15979	2.9
289.14325	7.7
291.15970	11.9
301.14038	2.5
303.12430	3.3
303.15860	54.5
305.13846	12.1
311.14838	3.5
321.16742	13.2
325.14182	3.3
325.17911	4.2
341.20993	10.2
343.19003	32.3
355.19019	3.5
359.22079	5.5
361.19968	25.0
373.20026	7.2
379.21359	19.4
391.21143	6.6
411.25024	21.0
429.26193	20.0
447.26520	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	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	9.0
55.58237	5.3
56.05830	6.5
57.07045	9.5
59.88970	5.6
69.07063	44.4
69.86301	35.6
70.12088	6.0
79.05540	7.0
93.07031	12.7
95.04916	5.1
95.08565	13.9
97.10140	13.3
104.69662	6.1
105.07047	13.8
107.08563	21.6
109.10136	19.7
113.05914	6.8
119.08517	6.5
121.10119	16.1
133.10121	16.2
147.11707	8.6
149.09505	5.8
154.54092	5.5
157.10097	9.5
161.78175	5.5
165.05464	24.3
166.05763	8.4
167.03401	9.2
167.06096	6.2
173.09608	12.9
173.30975	6.7
175.11214	11.6
183.11694	6.2
193.08662	6.3
205.08598	53.5
219.10110	11.4
220.10498	10.6
221.08057	14.9
221.11708	9.5
223.09589	84.7
237.11198	13.2
238.11565	13.5
239.09088	17.0
239.11824	16.8
269.15424	9.2
272.43918	6.7
273.14746	8.7
273.22180	8.8
287.16275	13.2
307.15231	7.5
325.17950	17.4
343.18967	100.0
361.19968	81.6
393.24460	6.3
411.25067	10.0
429.26428	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2735
Annotation	CJ 13103
Peak:m/z	Relative Intensity
50.68391	1.5
51.79419	1.5
52.24545	1.8
55.99624	1.5
62.23323	1.8
69.07063	21.5
70.02645	5.2
70.03052	4.5
71.04977	2.5
79.05489	2.6
81.07039	1.8
83.01336	2.3
91.05459	4.5
93.07040	6.4
95.08602	2.7
105.03436	1.6
105.07008	13.6
107.08598	5.0
108.64021	1.5
109.06528	2.1
109.10132	2.4
119.08537	2.7
121.06558	4.0
121.09255	2.7
121.10130	50.4
123.08033	2.6
131.08575	3.7
133.10109	42.5
135.08031	3.8
135.11703	6.6
137.05984	1.8
145.10127	3.6
146.10367	1.6
147.07979	1.6
149.09587	4.4
153.05464	2.8
159.08049	5.2
161.09651	1.9
162.06773	5.5
162.86040	1.5
163.07526	6.3
163.11150	6.0
165.05461	79.3
177.09108	15.5
187.07443	3.6
205.08588	63.8
205.10483	3.7
206.08942	1.8
221.08386	2.5
221.11697	61.1
223.09616	100.0
224.09970	3.9
250.31529	1.7
257.08295	2.0
267.11136	1.8
267.13834	5.0
271.20389	1.8
273.14847	2.5
283.13159	2.0
285.14825	26.1
289.14417	2.6
291.15875	34.5
303.15906	4.1
323.20163	1.7
325.17914	3.6
341.21066	6.7
343.18967	28.7
345.19513	2.2
355.18900	11.9
361.19989	5.7
379.19608	2.6
393.24405	3.9
411.25241	19.1
429.26105	6.2
447.26953	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27935	2.2
59.04975	3.5
63.92468	2.5
67.05483	9.3
69.03405	6.8
69.07060	35.0
70.03545	15.0
71.04988	3.7
79.05472	4.4
80.28963	2.4
81.07040	5.3
83.01337	6.5
91.05449	6.7
93.07027	14.3
95.04961	3.7
95.08584	9.3
105.03372	9.1
105.06999	11.6
107.08575	27.7
109.06491	4.8
109.10171	13.4
113.05988	4.0
117.06991	2.5
121.06472	9.3
121.10104	6.8
123.08051	3.4
123.11660	8.4
127.11191	3.5
131.08588	5.2
133.10095	13.6
135.08025	8.7
135.11646	13.2
145.10150	5.1
148.94478	2.1
149.05948	3.6
149.09610	10.8
151.11194	5.1
153.05469	8.3
159.08022	8.5
162.06699	7.0
163.07520	13.9
163.11188	4.1
165.05481	15.1
167.07083	2.6
169.04915	2.6
173.09605	5.0
175.07549	3.5
175.11189	2.6
177.05508	6.0
177.09062	26.9
179.03374	3.9
179.07074	16.9
187.07510	7.8
191.07025	10.3
191.10616	5.8
193.08624	6.6
201.09045	6.7
203.06985	8.3
203.10596	2.6
205.08580	85.0
211.09668	4.3
215.10730	5.4
219.10159	62.7
221.07954	2.8
223.09625	96.6
225.09064	3.0
229.08493	4.7
233.11609	4.7
237.11072	11.6
243.10115	33.2
243.13795	3.6
245.11804	3.3
247.84047	2.5
249.11241	3.1
255.13643	2.9
257.11652	4.7
259.13345	4.7
261.11188	13.7
268.95227	3.0
271.13300	5.3
283.13248	3.2
285.14828	75.4
287.13165	3.0
287.16339	3.4
289.14261	31.8
291.15857	4.9
303.15805	26.0
325.14484	5.2
325.17932	10.7
341.17523	3.0
341.21127	9.4
343.19025	100.0
343.23172	5.5
345.20514	26.9
355.19107	8.2
361.20050	48.7
363.21686	3.4
373.19913	3.9
411.25266	23.5
412.25726	2.9
429.26031	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	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
55.05488	1.8
58.02338	1.3
61.87162	1.0
66.91468	1.4
67.05481	4.8
69.03424	3.1
69.07044	2.9
70.98820	2.5
70.99228	3.0
71.04974	5.1
74.88557	1.2
79.05478	3.9
81.07034	4.0
81.49879	1.2
83.25421	1.2
91.05471	3.8
93.07011	7.0
95.04961	4.1
95.08586	4.3
105.06992	4.9
107.08574	5.1
109.06482	5.4
109.10119	3.6
113.06010	6.8
119.08584	2.0
121.06477	5.4
121.10130	11.9
123.04433	1.7
123.08019	2.0
123.11707	4.8
131.08525	5.2
133.10091	4.9
135.11690	6.7
145.10104	2.0
149.09595	15.3
155.08585	1.7
157.10023	1.6
159.08026	4.1
159.11720	2.1
173.09532	4.9
175.07411	1.6
175.11147	1.6
177.05450	10.6
177.09093	13.2
187.11176	1.5
191.10698	6.5
195.06491	5.3
195.10057	2.1
201.09085	7.1
201.12608	2.0
203.06985	2.1
203.10669	3.4
205.08572	2.0
215.14258	3.0
219.10112	10.0
229.08527	5.3
229.12305	1.8
243.13756	15.5
247.09596	1.3
253.12108	3.7
261.11612	1.3
261.14835	6.4
271.13336	10.8
288.53668	1.5
289.14304	100.0
290.14435	2.6
341.21185	1.8
343.18961	1.8
393.24268	2.9
411.25241	67.0
412.25662	3.2
429.26300	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2736
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
59.04989	14.7
61.94021	2.9
63.90285	2.8
67.05495	8.2
68.49403	2.8
69.07071	15.9
69.89878	19.3
69.90286	5.6
71.04979	23.9
79.05486	5.0
81.07053	5.3
83.01359	4.3
83.08644	5.0
91.05474	7.9
93.07041	10.8
95.08595	9.9
105.07014	9.3
107.08616	13.6
109.06519	3.8
109.10135	9.3
119.08537	4.9
121.06501	3.9
121.10112	6.4
123.08086	7.0
123.11707	9.3
131.08562	3.3
133.10136	6.2
133.26236	2.8
135.04410	5.2
135.11688	8.9
142.07773	9.0
144.34883	2.7
145.37355	2.8
149.09612	3.8
149.13231	6.1
157.10146	8.7
159.08011	4.9
161.09590	2.9
161.13261	4.5
165.05513	5.9
165.09154	4.2
173.09628	5.9
175.11092	3.4
177.05473	13.2
177.09036	14.6
177.42586	3.5
179.07050	4.7
187.07497	3.0
189.12743	5.1
191.06985	3.3
191.10649	24.3
193.04939	20.3
193.08748	3.8
195.06531	4.1
201.09062	9.4
203.07094	6.5
203.10564	3.2
205.08598	14.8
211.05968	39.5
211.07678	4.7
215.07060	12.1
217.12140	6.2
219.10165	20.9
223.09715	11.1
229.08585	48.7
231.10106	23.9
233.08110	9.1
233.15479	3.0
235.13310	10.4
237.11203	4.6
241.08592	4.9
243.10089	6.7
243.13857	5.1
247.09575	21.1
255.13869	3.5
261.14810	16.0
271.13306	8.1
283.13000	4.0
285.14752	17.8
289.14282	100.0
290.14551	4.0
307.15350	6.2
315.15811	5.6
325.18085	4.0
341.21017	6.4
343.18912	22.6
344.19272	3.4
355.19122	4.2
361.20026	3.9
382.36957	3.3
383.25729	17.3
411.25253	46.9
429.26343	11.0
447.27145	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	447.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98458	0.6
55.05508	0.8
59.04992	4.7
62.97894	0.7
67.05491	1.9
69.03420	0.7
69.07061	18.8
69.56120	6.2
70.57411	0.7
71.05013	0.7
74.09777	0.6
79.05470	1.0
81.07038	2.5
83.01336	2.2
83.04960	2.0
87.04480	1.5
91.05462	2.0
93.03411	0.7
93.07034	3.7
94.96095	0.7
95.04916	0.9
95.08585	0.9
105.03371	1.3
105.07000	1.7
107.08574	5.4
109.02881	1.4
109.06512	3.1
109.10110	1.3
109.92300	0.7
111.04433	4.3
119.04846	0.7
119.08566	1.3
121.06527	0.7
121.10123	1.1
121.16351	0.6
123.08058	0.8
123.11701	8.4
127.03898	1.6
133.10228	0.9
135.11671	8.7
137.05959	7.0
137.09601	0.8
141.05443	1.5
147.08055	0.9
147.11690	0.9
151.03996	1.5
151.07506	8.5
153.05452	26.5
153.06699	1.6
161.06001	0.9
165.05461	72.8
169.04968	2.7
173.09610	0.9
175.07562	1.8
177.05510	1.2
177.09109	1.0
179.03372	11.9
179.07045	2.1
191.07007	2.9
193.08595	11.6
197.04440	5.0
203.07019	2.9
205.08554	0.9
209.08054	1.5
219.06535	2.3
219.10136	3.2
221.08081	100.0
221.11554	33.8
222.08383	2.2
227.09079	1.4
231.10097	1.1
239.09120	69.9
240.09447	0.8
259.09628	1.4
275.16425	8.7
287.13165	1.4
287.16391	29.0
288.16678	1.2
289.14270	2.4
293.17371	0.9
303.15799	0.7
305.17450	2.8
307.15378	6.3
341.21231	0.9
343.18921	3.0
343.22696	6.0
359.18588	1.5
361.09894	0.7
361.20023	24.4
373.20142	2.7
379.20496	1.6
411.25293	1.7
429.26276	2.0
447.26758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2736
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
52.14174	2.9
55.05480	10.1
57.07050	9.5
66.51670	3.0
67.05480	11.2
69.03399	5.8
69.07059	100.0
71.04972	11.5
71.42014	5.3
71.42336	4.3
71.46294	3.6
79.05482	9.4
81.07028	13.1
83.01334	5.3
83.04942	5.1
85.06499	3.8
91.05463	10.1
93.07029	40.2
95.03934	3.4
95.04996	4.7
95.08585	11.8
97.10171	8.0
104.05131	3.1
105.03366	12.7
105.07015	16.0
107.08565	38.8
109.10152	36.7
109.14658	3.4
110.67091	3.4
111.11710	8.4
113.05955	4.5
119.08517	6.9
121.06468	4.8
121.10135	32.3
123.07997	4.8
123.11669	13.7
127.11172	10.9
128.06151	3.2
133.10106	9.1
135.07976	4.5
135.11671	93.6
139.11185	10.0
143.08575	5.0
145.10051	7.3
149.09586	5.1
151.03833	4.9
153.05406	12.4
157.10190	3.7
161.09616	6.9
163.07448	5.8
163.11182	27.3
165.05475	14.9
165.09035	4.6
166.05833	3.4
169.04953	40.9
171.11848	3.8
173.09608	6.3
175.11139	6.4
177.05388	4.4
177.09105	5.5
179.03383	26.9
179.07141	3.3
189.09058	5.1
191.07059	4.8
191.10501	3.8
197.04422	11.0
201.09027	3.4
205.08598	20.7
207.06393	6.1
217.08521	5.8
219.10101	28.1
221.08127	6.4
221.11676	10.2
223.09622	23.0
223.11734	4.1
225.07408	6.4
227.09102	5.5
230.53610	3.3
235.09557	5.4
239.09120	23.9
239.11198	4.3
245.08008	3.9
257.08063	34.7
259.13168	4.1
273.14841	9.0
285.14990	5.7
287.16360	8.3
289.14365	8.3
291.15799	8.7
307.15515	4.3
325.17792	8.3
341.20990	17.0
343.18930	25.6
345.23264	9.4
359.22040	9.6
361.19901	23.6
379.20724	22.6
393.24020	8.8
411.25156	15.4
429.26331	18.3
447.27603	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	447.2736
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
51.02359	1.3
54.56708	1.2
55.05495	2.7
57.07056	3.0
65.76990	1.4
67.05486	5.8
68.41412	1.5
69.03405	2.4
69.07056	13.4
70.84689	4.6
71.04967	6.0
77.60374	1.3
79.05469	4.1
81.07036	8.2
83.04967	1.6
85.06544	2.2
91.05467	6.4
93.07048	12.9
95.04932	1.9
95.08572	8.5
96.65894	1.3
105.07021	17.9
107.08578	10.7
109.06488	4.3
109.10115	5.0
111.08073	1.3
113.05969	3.6
115.75394	1.3
117.07021	1.5
119.08561	8.5
120.54371	1.5
121.06481	1.7
121.10130	13.7
123.08046	3.7
123.11687	3.8
129.06981	1.6
129.83682	1.4
131.08545	4.6
133.10121	33.7
134.10576	1.6
135.08026	3.2
135.11670	8.7
137.09615	3.4
143.08530	3.3
145.10092	4.8
147.08025	2.1
147.11644	3.5
149.09641	2.9
153.05472	3.8
155.08582	1.7
157.10071	6.6
159.08022	1.7
159.11662	12.3
161.13120	1.8
163.07532	2.4
163.11104	3.2
165.05409	3.0
169.04932	11.2
169.10130	3.9
171.11633	4.1
173.09618	2.6
173.13266	2.8
175.07556	2.4
175.11142	3.5
177.05441	2.4
177.09140	3.2
177.12758	6.7
183.11644	4.1
185.09561	2.5
185.13297	2.6
187.11177	2.3
187.14693	1.4
189.09113	1.5
191.07071	1.7
191.10684	1.9
191.14227	1.4
195.11679	2.0
197.13249	2.7
199.11211	2.6
199.14780	2.3
201.09117	1.9
203.10725	1.9
205.08589	12.1
209.13380	3.0
211.14946	2.0
213.12659	2.2
213.16267	1.8
215.10721	1.6
219.10139	13.3
219.13689	1.3
223.09528	10.0
223.14806	2.4
225.12660	1.8
225.16402	2.7
229.12228	1.6
229.15833	1.5
235.13094	6.6
237.11150	4.7
237.16388	2.4
239.09097	6.1
239.14307	4.0
241.12042	1.6
241.15851	2.2
243.13890	2.7
255.13779	2.4
257.15454	1.8
261.14786	2.0
265.15924	2.3
267.13797	2.5
269.15546	1.4
271.13400	2.0
273.14871	1.9
277.19336	1.8
281.19058	2.4
285.14893	3.6
286.94070	1.5
289.14307	5.5
293.15472	1.6
295.20517	1.8
297.22037	1.9
299.16669	1.6
303.16016	2.6
304.66061	1.5
305.19025	1.7
307.15298	19.6
315.19397	2.5
316.20364	1.6
321.16821	1.7
323.20160	3.5
325.17908	3.0
335.20041	5.4
341.21091	9.5
343.18954	6.5
355.18799	1.6
359.22180	3.8
361.19925	5.2
365.24628	1.5
367.26550	2.2
373.20154	2.2
375.23187	2.5
379.21008	2.0
393.24194	17.9
411.25256	36.0
429.26340	75.8
430.26810	3.3
447.27380	100.0
448.27518	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	447.2736
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
55.05513	0.7
57.07054	2.2
57.35684	0.7
67.05486	1.4
69.07053	1.0
71.01623	1.5
71.04987	6.0
73.57769	0.8
81.07019	1.1
83.01329	1.9
85.06537	7.5
86.70713	0.6
91.05456	1.7
93.07014	2.4
95.04954	1.1
95.08568	1.5
97.06522	1.2
99.65582	0.7
105.06998	1.0
107.08565	2.3
109.06541	1.3
109.10130	1.3
111.08057	3.1
113.05984	2.9
119.08587	0.9
121.06483	3.3
121.10128	1.4
123.04380	1.0
125.67181	0.7
131.08560	1.5
133.10077	1.5
135.08047	2.6
135.11690	1.5
139.07523	1.7
141.05409	1.4
141.08948	0.9
143.08466	0.9
145.06459	0.7
145.10063	1.3
149.05954	1.6
149.09586	4.3
153.05449	5.7
159.08026	2.5
162.06700	1.3
163.07484	4.1
165.05461	2.9
167.07027	1.5
173.09592	2.5
177.05479	2.7
177.09059	9.9
187.07512	2.2
191.10628	2.8
193.08592	0.9
195.10274	0.8
201.09070	3.6
203.07074	1.8
205.08574	31.5
206.09105	0.9
209.11676	1.8
211.09563	1.0
219.10153	17.7
221.11685	1.2
223.09610	30.3
229.08575	2.2
229.12181	1.6
235.09627	1.6
237.08981	1.5
237.11186	16.7
243.13770	3.8
247.13287	1.1
253.12259	0.8
257.14966	0.7
261.14874	1.5
271.13229	5.0
289.14288	27.2
295.15320	1.6
303.15945	1.4
307.15347	100.0
308.15656	3.3
411.25253	2.2
429.26318	57.3
430.26614	1.8
447.27399	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	447.2737
Annotation	CJ 13103
Peak:m/z	Relative Intensity
53.03944	4.8
55.01858	3.6
55.05505	17.2
55.29281	0.9
57.03438	7.0
57.07056	2.0
65.03916	2.0
67.05498	35.7
69.03409	3.7
69.07066	9.2
71.00356	1.1
71.00687	1.8
71.01342	2.1
71.04976	3.9
79.05486	37.8
81.03408	48.9
81.07049	25.4
83.04965	8.9
83.08610	14.7
85.02884	1.5
85.06525	3.2
91.05468	31.9
93.07034	33.6
95.04959	26.1
95.08597	12.4
97.02876	2.2
97.05938	1.2
97.06522	8.0
97.10158	10.3
99.08096	1.5
103.05419	1.5
104.94170	0.9
105.07021	18.3
107.04948	9.5
107.08585	19.3
108.23853	1.0
109.06500	3.7
109.10162	4.7
111.04440	1.1
111.08060	7.3
115.05464	1.8
116.06256	0.9
117.06999	8.8
119.04852	1.4
119.08575	14.4
121.06502	7.1
121.10138	7.1
123.08034	2.5
125.09645	5.8
129.06995	10.8
131.04845	1.4
131.08546	10.4
133.06487	3.8
133.10115	6.6
135.08035	2.9
135.11674	26.2
137.09604	3.0
141.07014	1.3
142.07759	2.1
143.08557	4.8
145.06467	7.6
145.10083	7.4
147.08055	5.3
147.11639	5.4
149.09593	3.8
152.73926	0.9
153.12758	1.1
155.08539	3.0
157.06566	1.3
157.10121	8.5
159.08020	2.0
159.11673	3.2
161.09647	1.1
163.11185	7.5
167.08586	1.0
169.10141	2.2
171.08104	1.5
171.11613	1.7
173.09642	1.5
175.11166	8.2
181.10107	2.0
181.12207	5.3
185.13239	3.8
186.48149	0.9
187.11136	2.2
189.11172	2.9
189.12769	1.4
193.12216	18.9
197.13232	1.6
203.10699	1.9
203.14325	3.8
205.12135	1.7
213.12711	2.1
225.12706	1.2
227.14478	1.2
229.12166	1.2
231.13811	2.8
249.14705	4.3
261.14938	1.2
267.16119	1.2
275.16443	1.1
311.19937	1.0
319.20416	1.7
319.61249	1.1
327.23154	1.7
329.21149	4.7
337.21567	4.9
347.22202	1.5
355.22641	13.0
373.23816	5.6
391.25064	1.8
403.24814	5.7
411.25217	1.6
429.26407	10.8
447.27386	100.0
448.27264	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	447.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01886	1.3
66.86732	1.1
67.05493	5.2
67.32969	1.1
67.88468	1.1
69.07059	31.0
69.82208	9.8
79.05482	1.9
80.18311	1.1
81.07069	5.8
83.01341	5.0
91.05463	3.9
93.07027	15.6
95.04951	8.5
95.08621	2.2
98.20694	2.6
105.03375	62.6
105.07043	2.9
107.08594	10.3
109.10149	6.3
111.76292	1.3
121.06507	3.7
121.10139	4.8
123.04411	2.8
123.08019	1.6
123.11698	4.5
130.51469	1.1
133.10088	5.8
135.11674	16.2
137.02322	6.1
141.01822	4.0
145.10092	1.2
149.09639	1.8
151.03889	6.5
153.05435	2.7
154.06000	1.3
155.03316	1.6
158.31023	1.3
159.08086	1.5
163.07458	1.6
163.11237	1.7
165.05466	10.4
167.03331	5.9
173.09407	1.2
177.09138	1.9
177.12772	1.5
179.03372	77.3
189.05443	2.6
193.04942	36.1
195.02826	1.3
197.04427	37.9
203.03271	1.5
203.07117	1.3
205.08560	8.6
206.09047	1.5
211.05957	4.8
217.05029	4.6
219.10182	2.1
221.11708	5.1
223.09616	10.4
231.06476	1.5
235.06021	1.8
245.08047	25.5
246.08221	1.6
257.08051	74.0
258.08514	3.0
267.14072	1.5
271.09616	29.0
271.12469	2.2
281.08176	1.4
285.11325	1.3
285.14789	3.0
287.16434	10.3
289.17062	2.4
291.15787	3.1
295.09598	20.6
295.12643	2.0
299.12650	2.6
301.14322	2.9
303.15863	2.5
323.12704	29.6
323.16541	1.7
341.21158	1.8
343.18909	2.9
361.23016	2.4
377.17523	2.8
379.19019	100.0
380.19421	5.6
391.19022	6.7
411.25241	4.2
429.25269	1.4
447.25235	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	447.2737
Annotation	CJ 13103
Peak:m/z	Relative Intensity
55.01855	0.7
55.05507	1.4
56.96554	0.4
57.03421	0.5
57.07067	13.3
57.07352	0.7
59.04958	0.4
67.05502	3.6
69.03411	0.7
69.07059	1.7
71.04991	0.8
73.06572	0.3
77.32330	0.3
79.05480	2.6
81.03410	0.8
81.07043	2.9
83.01326	1.6
83.04955	0.9
85.02862	0.4
85.06527	1.1
87.88929	0.3
91.03934	0.3
91.05458	3.3
93.07040	3.5
95.01294	0.3
95.04963	1.3
95.08604	3.2
97.02887	0.4
97.06510	0.5
97.10138	0.5
98.20714	0.8
105.07018	4.9
106.03819	0.3
107.04932	0.9
107.08578	3.7
109.06480	1.5
109.10142	3.8
111.08059	0.5
113.02351	1.6
115.03912	0.4
115.05448	0.4
115.87041	0.3
117.06995	1.6
119.04941	1.6
119.08567	2.7
121.06469	0.9
121.10123	3.8
122.10936	0.6
123.08055	0.8
123.11669	0.3
124.07675	0.3
127.03891	0.5
129.06938	1.4
131.03387	2.1
131.04941	0.3
131.08549	2.7
133.06456	1.2
133.10098	2.1
135.08006	0.7
135.11674	1.0
137.05951	0.4
137.09616	0.4
141.06963	0.4
142.07771	1.0
143.08510	1.4
145.06464	1.2
145.10100	1.9
147.08000	1.7
147.11665	0.9
149.02330	0.6
149.05928	0.5
149.09612	0.8
153.09073	0.3
155.07266	0.3
155.08577	1.0
156.09335	0.4
157.06487	0.8
157.10098	3.1
158.10843	0.4
159.08049	1.0
159.11665	1.5
161.05986	0.4
161.09627	0.6
161.13232	0.5
163.03888	0.3
163.07532	1.1
163.11191	0.4
165.09123	0.3
169.06581	0.3
169.10043	0.7
170.10924	0.3
171.08105	0.6
171.11671	0.6
173.05936	1.6
173.09605	1.0
173.13264	0.9
175.07549	2.9
175.11139	1.6
175.12485	0.3
177.05362	0.3
177.09074	1.4
179.07083	0.4
180.09286	0.3
183.08032	0.5
183.11713	0.7
185.06062	0.5
185.09590	1.7
185.13268	0.6
186.10426	0.5
187.07591	0.8
187.11209	1.7
189.09079	0.8
189.12758	0.4
191.06990	0.7
191.10667	0.4
192.09395	0.3
193.08577	0.5
193.10258	0.4
193.12196	1.3
195.11734	0.5
197.09634	0.7
199.07594	0.5
199.11145	0.4
201.09175	0.4
201.12720	0.9
203.07057	0.6
203.10661	0.6
203.14282	0.3
205.08533	0.7
205.12306	0.7
207.11710	0.4
208.07381	0.3
209.08008	0.5
211.11189	1.0
213.09161	0.7
213.12753	0.5
215.10663	0.7
217.08502	0.5
217.12225	1.7
219.06482	0.5
219.13718	0.5
220.07285	0.3
221.07988	0.5
223.09630	0.8
225.12775	0.4
229.12259	1.1
231.13780	0.6
232.07132	0.3
233.08078	0.7
235.09375	1.4
237.11185	1.1
239.10727	0.7
241.12213	1.1
245.08043	0.5
245.11728	2.8
247.09636	0.5
247.13330	1.2
249.11275	0.8
253.15871	0.5
255.13818	0.3
257.12720	0.4
259.09750	0.7
261.11154	0.4
263.12955	0.4
271.13470	0.3
275.12766	1.4
277.15900	0.5
279.64990	0.3
280.14609	0.5
289.14386	0.6
290.15036	0.5
291.15857	3.3
295.16901	2.7
297.18369	0.4
299.16367	0.3
303.15863	2.1
307.15430	0.5
309.17053	0.9
313.17947	0.9
317.17386	1.5
321.16931	2.8
325.18030	0.4
335.18610	2.0
337.17758	0.3
343.19226	0.4
349.20145	0.7
351.23178	1.1
355.18854	0.8
355.22708	0.6
357.20511	1.4
369.20499	0.8
373.19922	0.7
375.21750	1.0
379.22571	0.5
387.21576	0.8
393.24323	1.5
411.25266	13.5
429.26303	13.9
430.26666	0.7
447.27377	100.0
448.27762	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	447.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
53.19727	0.5
55.01856	1.2
67.05505	0.7
69.07058	8.9
70.71502	0.4
71.31693	1.3
77.03928	0.4
79.05488	2.3
79.05916	0.4
81.07029	0.7
83.01328	2.7
83.15707	0.4
85.90916	0.4
91.05472	2.1
93.03417	0.4
93.07029	8.7
94.00159	0.4
95.04957	4.3
99.82172	0.5
105.03378	36.3
105.07032	1.3
107.08569	11.4
109.02869	0.9
109.06472	0.7
109.10117	0.9
116.14784	0.4
119.08528	1.0
123.04416	0.7
123.11689	1.9
127.03877	0.6
135.11673	22.7
136.12141	0.4
137.02316	2.7
137.05833	0.5
141.01822	3.1
151.03897	3.7
155.03409	1.5
165.05447	7.2
166.05679	0.7
167.03387	4.6
169.04947	0.7
179.03372	69.1
180.03726	1.3
193.04997	2.1
195.02856	2.1
197.04427	37.2
198.04774	1.2
217.04915	0.5
238.11584	0.6
239.17575	0.5
245.08057	8.7
255.06360	0.9
257.08051	100.0
258.08472	2.5
269.15231	1.3
271.09491	1.5
287.16342	6.4
289.41644	0.5
293.34219	0.5
294.68930	0.5
295.09760	0.6
323.12665	1.1
325.14218	2.5
345.48462	0.5
377.17587	2.1
379.19009	36.2
380.19519	1.0
391.19046	6.7
394.07343	0.5
404.61935	0.5
431.59015	0.5
447.25348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01863	0.7
55.05491	0.5
60.79930	0.5
67.05479	1.1
68.99756	0.7
69.07059	8.6
69.81003	4.2
79.05469	2.2
81.03406	0.6
81.07005	1.2
83.01320	3.0
83.48662	0.5
90.59087	0.6
91.05448	2.3
91.15955	0.6
93.07025	9.8
95.04945	3.7
105.03377	35.5
105.07004	1.2
107.08575	11.9
108.08968	0.6
109.02848	0.7
109.06523	0.7
109.10159	0.9
119.08546	1.1
123.04430	0.8
123.11676	1.6
135.11679	23.0
137.02306	4.0
141.01828	4.3
141.76485	0.6
148.57460	0.5
151.03877	4.5
155.03354	2.0
165.05423	7.7
166.05887	0.8
167.03360	5.2
177.05336	0.7
179.03366	73.9
193.04936	1.7
195.02835	1.6
197.04428	33.9
199.31793	0.5
217.04912	0.6
237.11258	0.6
243.94681	0.5
245.08072	9.7
255.06682	0.9
257.08054	100.0
258.08377	2.6
282.61273	0.5
287.16370	7.0
289.16983	0.6
295.09677	1.0
323.12772	0.7
325.14279	2.0
377.17438	2.8
379.18982	38.5
380.19574	0.8
391.18979	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	447.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03942	3.9
54.50237	0.5
55.01862	1.7
55.05501	1.1
57.06586	0.5
57.07070	0.8
65.03929	0.5
67.05496	2.8
68.99789	0.5
69.03395	0.5
69.07062	15.0
70.08628	2.8
71.04981	0.9
77.03907	1.3
79.05463	3.6
81.03416	0.8
81.07055	2.9
83.01328	5.2
83.04975	0.6
87.55374	0.5
91.05478	4.5
93.07040	13.5
95.04961	9.0
95.08595	2.2
98.20683	0.7
105.03381	85.8
105.07004	3.5
106.03680	1.2
107.08583	19.2
109.02858	1.3
109.06508	1.0
109.10138	5.3
119.08569	2.0
121.06474	0.6
121.10151	3.1
123.04430	1.1
123.11697	3.7
125.09597	0.4
131.08536	0.6
133.10101	2.2
135.11682	24.7
136.12006	0.8
137.02338	3.9
137.05942	1.1
141.01808	4.6
143.08591	0.6
149.09563	0.6
151.03874	5.4
151.07539	0.6
153.05424	3.4
155.03342	2.9
161.09624	1.2
163.07545	1.0
165.05461	17.2
167.03371	8.0
169.04974	5.5
177.05446	0.8
177.09109	1.7
179.03378	77.5
180.03719	1.6
187.07451	0.6
189.09155	0.8
191.03432	0.6
191.06918	0.8
193.04980	2.0
195.02884	1.6
197.04434	39.8
198.04765	0.9
203.07051	0.7
203.10637	0.8
205.08569	5.9
211.67703	0.5
217.08511	0.6
219.10124	4.4
221.08127	2.8
221.11685	5.1
223.09593	7.4
227.14288	1.4
235.09576	1.0
237.11185	0.7
239.09087	3.3
245.08080	10.3
245.11787	0.7
255.06444	0.6
255.20554	0.6
257.08066	100.0
258.08408	2.8
267.13602	1.1
269.08029	1.1
269.15298	3.0
271.09686	1.1
271.13266	1.3
273.14911	0.7
275.16293	0.6
285.14798	2.1
287.16452	5.6
289.14294	1.0
291.15790	1.4
303.15820	2.7
307.15631	1.0
311.12747	0.9
313.14417	2.4
323.12726	0.7
325.14331	7.9
325.17923	1.1
325.21542	0.5
327.19168	0.6
341.21228	2.3
343.19070	4.0
348.79315	0.5
359.22241	0.8
361.20435	3.7
373.20313	0.5
377.17389	4.0
379.18979	19.6
380.19406	1.1
391.19019	14.9
392.18878	0.7
411.25073	0.8
422.59564	0.5
429.26086	1.4
447.25253	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.222
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03935	5.8
55.01866	7.0
55.05502	13.4
57.03431	24.7
57.07074	2.8
59.05003	2.9
61.02917	78.3
67.05500	28.7
69.03423	32.9
69.07056	20.5
69.98270	10.4
71.01342	5.7
71.04979	11.3
73.02909	31.1
75.04472	1.8
79.05490	20.5
81.03413	23.8
81.07047	96.8
82.07393	2.0
83.01284	1.6
83.04980	11.6
83.08604	11.0
85.02895	70.7
85.06512	7.1
87.04472	2.1
89.56644	1.4
90.97094	1.5
91.03942	33.4
91.04477	2.4
91.05457	29.8
93.07034	18.9
95.04951	6.2
95.08593	20.7
97.02883	53.7
97.06547	8.5
97.10119	2.3
98.20746	3.3
99.04433	11.0
99.08095	4.7
101.02363	13.0
101.05911	1.9
103.03934	9.7
103.37141	1.5
105.07018	50.8
107.08585	18.4
109.02863	16.6
109.06522	8.2
109.10124	3.2
111.04430	3.5
111.08087	3.8
115.03897	3.5
115.05363	2.0
117.05464	3.7
117.06991	1.5
119.08572	41.2
121.10125	32.7
123.04439	2.5
123.08081	5.8
123.11694	36.6
127.03889	29.2
127.07531	3.4
129.05505	3.7
129.06964	2.5
131.08577	3.4
133.10176	4.5
134.78191	1.6
135.11699	3.1
137.05969	2.7
137.13229	3.4
141.05580	1.8
141.09131	2.2
145.04953	8.5
145.10143	4.0
147.11667	100.0
148.11987	3.5
149.02341	2.8
149.13252	2.5
150.22491	1.5
153.01801	4.2
157.10094	3.5
159.06494	3.1
161.13213	1.5
165.05444	1.6
165.12738	71.2
166.13097	1.7
167.05542	1.5
171.06572	1.6
171.11794	1.5
175.11180	4.9
179.10583	1.6
182.54320	1.4
183.06505	11.2
183.13812	15.8
193.12234	9.5
201.07515	8.0
203.14386	1.7
203.29033	1.5
211.13290	4.1
213.05450	2.6
229.04895	3.8
229.14308	34.4
241.04924	2.2
257.04422	9.8
258.05035	1.9
267.13226	2.9
267.15903	41.4
269.04446	17.5
269.17450	1.9
273.03943	3.0
273.83389	1.6
285.03922	99.1
285.16928	96.0
286.04401	9.7
286.17502	2.6
297.03854	7.0
303.04935	4.3
309.16992	6.4
313.03363	4.2
313.16464	4.7
314.04028	4.7
327.17938	4.4
329.03021	3.8
343.04416	30.2
344.04718	3.4
369.06131	1.8
385.05371	2.1
393.06064	7.5
393.19296	3.1
400.51608	1.6
411.07111	4.9
411.20068	7.6
429.21307	12.5
429.26431	2.6
447.09024	6.1
447.22171	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
55.96143	2.3
57.03419	5.5
57.07079	24.3
58.07396	5.3
59.04976	2.6
67.05479	6.1
67.22904	2.0
69.03408	3.2
69.07062	49.6
69.58134	25.0
70.07381	10.3
71.04951	2.3
74.20302	2.3
79.05481	6.2
80.05808	2.3
81.07043	14.5
82.07394	2.6
83.01325	7.4
85.06532	5.5
86.06855	3.4
91.05466	7.3
93.07046	18.6
94.07353	6.4
95.04948	6.1
95.08601	9.1
96.08912	5.7
98.20684	4.0
103.49906	2.2
105.02753	3.5
105.03391	39.0
105.07002	10.1
106.07306	4.9
107.08575	19.3
108.08907	6.5
109.06503	7.8
109.10137	6.7
110.10457	3.5
119.08549	6.8
121.06472	4.8
121.10127	15.4
122.10467	8.5
123.10875	3.1
123.11704	31.1
124.12043	15.8
128.22906	2.6
131.08574	3.3
133.10092	3.5
134.10429	5.2
135.08000	3.8
135.11690	22.1
136.08386	3.4
136.11981	10.8
137.05966	7.4
145.10089	7.5
146.10440	6.3
149.09666	3.7
153.05412	15.2
154.05789	3.7
159.08054	3.7
163.07492	6.4
163.11180	6.2
163.12500	2.2
164.08000	3.3
164.11525	7.7
165.05467	100.0
165.11801	3.3
166.05804	58.7
167.03398	3.9
173.09669	5.5
174.09958	6.1
177.05510	3.2
177.09050	12.8
178.05815	3.3
178.09427	6.3
179.03380	27.5
179.07011	4.1
191.06900	3.9
191.10591	6.8
192.10957	4.4
193.04968	5.9
196.06688	2.2
197.04439	12.5
201.09125	5.1
202.09476	4.6
203.07072	3.0
205.08513	5.6
206.09067	3.9
219.10153	53.5
220.10475	54.7
221.08105	5.5
221.11804	45.4
222.12093	38.8
223.09714	5.5
237.11198	71.5
238.11554	62.8
239.11742	8.7
240.12013	5.9
245.08134	3.6
257.08066	27.6
258.11783	2.6
271.09607	6.7
276.16669	3.4
286.15109	4.5
287.16415	30.2
288.16730	41.8
289.14349	3.2
295.09589	6.0
298.15225	2.5
302.14481	2.5
304.16101	4.0
305.17291	7.5
306.17792	14.3
323.12762	5.2
325.14197	3.4
341.20523	3.8
342.20697	4.3
343.22174	2.7
344.19287	5.4
344.23117	10.4
345.20172	2.8
358.20731	6.8
359.21594	16.5
360.22226	46.7
372.22409	4.8
377.22095	7.2
378.23105	17.5
379.18927	34.1
392.25504	3.0
410.27048	4.8
428.28085	13.1
429.26407	3.7
446.28842	9.7
447.25293	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	446.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.6
69.03406	0.7
69.07061	1.3
70.06570	0.7
71.79596	0.9
72.08141	0.5
73.02923	0.5
73.04739	1.3
81.03435	0.7
84.08142	1.1
85.02892	1.7
86.09711	1.0
89.03915	0.8
91.05837	6.2
92.05746	0.7
93.07032	1.6
98.97575	1.1
103.05462	6.6
107.04947	1.9
116.98624	0.9
117.03380	0.9
117.81915	0.5
119.04928	1.9
120.08093	100.0
121.08443	1.6
123.04444	0.7
126.29196	0.5
127.03853	0.6
128.98543	0.6
131.04938	3.0
131.96094	0.5
134.99664	0.7
135.04407	2.3
136.07536	0.8
145.02795	1.4
147.04391	6.1
149.05959	1.8
161.01242	1.5
161.10886	0.4
163.02531	0.7
163.03893	11.6
164.04231	1.1
165.05501	0.8
166.08623	54.5
167.05547	1.9
167.08966	0.8
168.05705	0.4
177.04256	0.6
179.06987	0.5
189.00711	0.8
191.07187	0.5
219.10188	0.6
221.03316	0.5
225.04283	1.1
226.04285	0.9
237.02777	0.8
237.11221	0.8
238.11491	0.6
255.01796	0.6
288.16803	0.8
303.07437	0.5
321.98541	0.5
333.58182	0.5
359.02750	0.8
360.02789	2.2
360.22519	0.8
361.02621	0.8
429.06989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66254	1.7
53.03928	4.0
55.01860	4.3
55.05234	2.5
55.05504	44.5
57.03199	2.4
57.03433	26.4
57.06828	2.6
57.07068	31.9
59.04972	2.6
62.66916	1.8
67.05496	57.5
69.03431	4.5
69.07059	87.3
69.79787	13.9
71.04988	10.1
71.08620	17.8
75.04463	6.1
79.05472	27.2
81.03388	2.6
81.07047	74.8
83.01319	2.7
83.04966	8.7
83.08111	2.2
83.08605	45.5
85.06518	6.5
85.10151	10.6
91.05461	15.5
93.07034	43.9
95.04938	6.6
95.08592	74.6
95.20255	1.9
97.06522	18.7
97.10158	29.8
99.08070	2.9
101.05997	2.7
105.03385	39.0
105.07011	18.2
107.04917	2.9
107.08575	42.1
109.06503	5.3
109.10146	29.1
111.08077	11.9
111.11700	8.6
113.05993	4.7
115.07578	2.9
117.06990	3.8
119.08576	10.5
121.06509	6.4
121.10121	50.4
123.08050	5.0
123.11710	18.0
125.09608	9.9
128.06232	1.8
129.03366	3.0
129.09065	2.8
131.08545	8.4
133.10138	11.7
135.08012	5.0
135.11676	36.4
137.05923	4.8
137.09549	3.5
137.13248	8.7
139.11166	8.6
141.01785	2.2
143.08594	3.5
145.10088	9.1
147.11632	10.1
149.06006	1.9
149.09615	4.5
149.13234	12.2
151.14787	3.2
153.12730	5.4
155.08562	2.5
157.10106	6.4
157.12102	2.3
159.11661	6.4
161.06169	2.3
161.09598	2.6
161.13275	4.5
163.07523	3.7
163.11168	12.4
163.14804	9.8
165.05463	17.6
165.09074	2.1
167.08502	2.2
167.14272	3.7
169.04951	3.1
169.10193	3.9
171.08014	3.8
173.09601	12.5
173.13274	3.0
175.11192	8.7
177.09172	2.7
177.12782	2.6
177.16339	4.4
179.03372	24.6
181.10150	2.8
181.15860	2.6
183.11572	2.6
191.07014	2.5
191.10577	2.5
191.17888	2.6
193.08578	2.7
195.17491	3.5
197.04419	14.8
197.13242	3.2
201.09088	3.4
201.12599	2.3
203.10635	6.7
205.08540	4.6
211.14841	2.3
213.12704	2.5
217.08611	2.8
219.10110	13.1
221.07938	3.2
221.11682	6.0
223.09525	3.7
225.09172	2.7
233.22623	12.1
237.11093	14.6
243.21164	2.1
251.23618	16.9
253.10616	2.5
257.08044	35.6
261.22217	4.6
265.11984	2.6
267.13947	2.1
269.24728	2.0
275.73831	1.9
279.23206	8.9
287.16455	11.4
289.14355	6.9
297.16257	4.5
297.24219	3.1
299.20023	3.8
305.17462	3.6
315.25253	100.0
316.25543	3.5
321.18668	2.7
323.15268	2.8
325.14392	2.7
325.18021	4.5
339.19434	5.7
341.20959	2.3
343.18930	4.1
343.22607	4.6
353.26862	41.6
354.27188	2.3
357.20560	4.0
357.97015	2.6
359.16550	6.0
359.22113	4.9
371.16418	4.7
371.27911	52.5
375.21640	5.0
377.17291	39.7
378.17938	5.6
381.24121	2.3
382.24219	2.5
391.22678	4.9
409.22412	7.1
411.25287	2.6
413.23135	4.7
427.24466	14.7
427.30417	28.6
428.25433	3.1
445.25412	14.0
445.31540	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.05497	1.6
57.03423	2.1
57.07070	7.4
66.48075	1.0
67.05495	2.4
69.03413	3.2
69.06705	1.4
69.07060	24.4
69.81016	7.3
70.74333	1.0
79.05470	2.2
81.07037	4.0
83.01312	2.4
85.06522	2.8
91.05458	2.0
93.07027	8.8
95.04963	1.3
95.08590	3.3
98.21449	1.6
105.07014	1.1
107.08582	7.2
109.06474	1.8
109.10126	4.1
119.08611	1.3
121.06447	2.3
121.84813	1.0
123.11680	2.3
127.07561	1.7
135.08029	1.5
135.11664	9.8
137.06010	2.1
141.05443	2.2
145.10062	1.9
149.09578	1.4
151.07524	1.8
153.05447	7.7
153.12726	3.6
159.08083	1.1
163.07564	5.3
163.11153	1.3
165.05467	19.4
167.07034	1.5
173.09726	2.5
176.08337	1.7
177.09106	7.2
179.07010	27.5
191.07008	3.3
191.10609	5.0
201.09029	2.1
203.06989	2.4
204.07771	2.0
205.08585	8.7
205.12231	2.7
207.10051	1.0
215.10637	1.2
217.08418	1.5
219.06769	1.6
219.10141	27.7
221.11629	4.8
225.11028	1.5
231.10085	8.9
233.11714	11.7
237.11191	29.7
238.11435	1.4
243.10123	1.3
251.12733	12.8
257.11758	3.3
257.95551	1.1
259.13223	1.2
275.12732	5.7
275.16077	1.6
285.14813	4.6
287.16379	100.0
288.16693	4.2
293.17462	1.3
303.15906	7.1
305.17615	1.4
341.21164	7.0
343.22687	1.6
357.20581	2.5
359.22122	91.5
360.22516	5.8
371.22073	5.8
377.23016	3.0
427.28217	1.8
427.68378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	7.7
69.07066	25.8
70.06641	14.0
76.70508	2.8
77.14464	3.2
81.07049	4.5
83.01324	4.1
93.07028	3.3
107.08601	5.5
114.01270	3.6
123.11684	10.0
135.08058	5.8
135.11685	14.0
136.78798	2.9
139.03839	3.7
163.11073	5.6
165.05476	79.5
177.05504	3.5
177.09119	15.1
191.10654	6.5
191.44632	3.3
201.09160	4.5
207.79492	3.1
213.54106	3.4
219.10147	66.3
221.11716	47.2
227.08090	3.0
236.91158	3.7
237.11198	100.0
287.16388	42.7
305.17496	13.5
341.21075	3.6
343.22592	5.8
359.22150	36.0
377.23291	5.0
420.77353	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	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69762	1.1
55.01851	1.2
56.84159	1.1
57.03429	1.3
57.07064	12.6
66.74969	1.3
67.05495	2.7
69.03445	1.5
69.06683	1.9
69.07058	31.3
69.62180	1.3
69.81641	8.2
69.82055	3.4
79.05479	2.7
81.07050	4.6
83.01330	2.7
84.87199	1.3
85.06528	2.2
91.05491	2.5
93.07034	7.9
95.08607	1.7
98.79989	1.3
105.00793	1.2
105.06999	1.7
107.08587	10.3
109.06513	2.0
109.10137	2.7
110.30199	1.3
121.06551	2.5
123.11687	15.2
127.03906	1.4
135.07996	3.6
135.11668	11.3
137.05992	4.1
139.03888	1.7
145.10136	2.3
149.05960	2.7
149.09711	2.2
153.04414	1.5
153.05411	8.2
163.07530	3.6
163.11221	1.8
165.05461	79.8
173.09608	2.2
176.08240	2.2
177.05481	5.3
177.09084	11.1
179.07021	9.6
189.24629	1.8
190.74429	1.4
191.07022	2.5
191.10776	6.2
201.09161	4.5
203.07014	3.2
204.07808	2.2
205.08562	7.5
207.09949	1.5
217.08711	1.5
219.06667	3.2
219.10133	63.6
221.09563	2.4
221.11707	50.8
225.11169	3.7
231.10080	6.6
233.11746	7.1
237.11180	100.0
238.11652	1.5
245.11700	1.8
251.12715	9.9
257.11691	6.0
275.12784	10.1
275.15613	1.4
285.14948	3.2
287.16382	92.5
288.16727	2.9
303.15823	3.3
305.17438	10.5
341.21014	6.7
343.22714	5.4
357.20538	2.5
359.22128	84.4
360.22546	2.9
371.22079	7.1
377.23239	2.5
427.28165	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	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
57.07053	2.6
67.05497	0.8
68.84524	0.5
69.06696	1.1
69.07058	17.1
69.68689	5.7
76.20367	0.6
79.05457	0.8
81.07027	2.1
83.01334	2.0
85.06539	1.8
85.84242	0.7
89.04638	0.6
91.05489	1.1
93.07023	3.4
94.98956	0.6
105.07007	1.1
107.08588	3.9
109.02834	0.7
109.06503	1.3
109.10122	1.4
121.06476	0.9
121.10088	1.2
123.11671	7.9
135.08002	1.4
135.11655	6.1
137.05946	3.0
145.10109	1.9
149.05905	0.9
150.82440	0.6
153.05455	3.0
161.05965	0.8
163.07549	1.6
165.05453	58.1
173.09555	1.3
177.05434	10.2
177.09053	6.4
191.06999	0.9
191.10637	1.7
195.06458	1.1
201.09113	1.8
204.07828	2.4
219.10132	39.3
219.17448	0.8
221.11705	34.3
225.11252	2.0
235.09627	1.2
237.11185	100.0
238.11598	2.5
287.16373	33.9
288.16660	0.8
305.17432	8.0
307.91470	0.8
343.22629	3.3
357.20654	0.7
359.22116	27.3
360.22510	1.3
371.22308	1.6
377.23138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.07064	10.4
67.05488	1.9
69.06683	1.7
69.07059	32.4
70.03320	5.3
70.41591	0.9
74.60587	1.0
79.05481	1.0
81.07044	2.0
83.01345	1.0
85.06519	3.2
91.05419	1.2
93.07034	9.0
94.07407	1.1
100.43272	1.0
105.07070	1.3
107.08587	5.5
109.10143	3.7
123.11680	2.5
127.07496	1.5
133.10072	1.5
135.11702	10.4
137.05969	1.5
151.07489	1.1
153.05460	10.8
162.22554	0.9
163.07506	1.9
165.05464	20.4
167.07040	1.3
177.09068	3.7
179.07004	20.7
185.09557	1.3
191.06970	3.1
191.10640	3.4
201.09099	1.4
203.06976	3.2
205.08612	8.3
207.10207	2.1
209.11737	1.8
215.10658	2.5
217.08640	1.3
219.06546	2.8
219.10146	23.7
221.11664	3.7
225.11169	2.5
229.12097	1.3
231.10147	11.0
233.11708	8.5
236.36206	1.0
237.11183	24.6
245.11752	2.1
251.12744	12.8
257.11679	8.1
259.13297	3.2
275.12790	12.8
275.15863	2.1
285.14777	5.5
287.16382	100.0
288.16714	3.2
303.15863	9.3
303.18909	1.7
305.17438	31.6
306.17773	1.7
341.21033	7.4
343.22592	7.9
357.20554	2.2
359.22125	45.9
360.22510	1.4
371.22180	10.4
375.21625	2.8
377.23193	59.5
378.23721	1.7
389.23193	5.1
427.28406	9.2
445.29382	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	445.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43105	1.4
51.22717	1.1
55.94064	1.2
57.03423	3.8
57.07064	10.3
67.05470	1.7
69.07059	23.4
71.29501	2.2
71.29814	1.4
79.05487	2.4
81.07032	5.9
83.01339	5.1
85.06526	2.0
91.05463	2.4
93.07020	5.4
95.08603	2.0
105.07006	2.4
107.08592	8.0
109.02861	2.1
109.06484	2.3
109.10117	2.5
121.06500	1.7
123.11689	28.0
127.03874	1.3
135.08022	4.8
135.11649	9.1
137.05936	4.8
145.10074	3.6
149.06059	1.4
149.09602	2.6
153.05424	5.2
155.08585	2.0
163.07520	5.5
163.11115	2.5
165.05457	100.0
166.05786	2.6
173.09619	4.0
176.08298	2.3
177.05440	2.5
177.09076	12.7
189.05498	1.4
190.06258	1.3
191.06943	1.9
191.10660	7.6
201.09076	4.9
202.22226	1.3
204.07800	2.2
205.08508	2.1
207.09975	1.2
217.08487	1.6
219.10138	75.1
220.10432	1.3
221.11699	58.6
222.12129	1.3
225.11189	1.9
237.11183	94.5
238.11420	2.4
240.03189	1.3
275.12836	1.4
287.16382	55.8
288.16605	2.1
303.15891	2.4
305.17358	11.4
341.21027	2.7
343.22461	6.9
357.20670	1.8
359.22098	40.8
371.21951	5.0
377.23068	2.6
427.28241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31873	1.6
55.05495	2.4
57.07064	21.6
67.05498	2.1
69.07058	45.3
69.47109	23.5
80.72672	2.0
81.07053	3.6
83.01331	4.3
85.02876	1.8
85.06525	3.5
91.05489	2.5
93.07033	8.4
95.08568	3.2
97.06506	1.8
103.27848	2.1
105.03391	15.7
105.07048	2.3
107.08564	8.1
109.06540	3.4
109.07288	2.1
109.10153	4.2
117.50102	1.7
121.06605	2.0
121.10087	3.2
123.11708	11.1
123.57249	2.0
133.10074	3.1
135.08011	3.7
135.11653	11.0
137.05966	5.4
139.03839	2.2
149.05913	2.8
153.05421	14.2
161.05823	2.0
163.07520	3.2
165.04071	4.4
165.05449	72.1
167.06985	10.4
172.93431	2.0
173.09549	4.3
175.07619	2.8
177.05449	9.1
177.09123	11.8
179.06961	3.0
181.04953	2.8
189.05382	3.1
191.07019	5.3
191.10629	6.1
201.09105	3.1
203.06956	11.3
203.10626	4.1
204.07883	2.1
205.08568	7.3
217.08389	2.3
219.07964	4.1
219.10126	78.0
221.11705	30.6
223.09618	3.1
225.11253	2.4
231.10112	6.6
237.11191	100.0
238.11421	2.4
245.11545	3.2
257.11792	2.7
259.13278	4.0
259.16946	2.3
273.14624	2.1
275.12750	6.3
275.16370	9.0
287.16409	66.3
288.16754	3.3
291.15735	3.4
305.17398	38.9
306.17752	2.1
330.05127	1.9
341.20758	2.3
343.22675	35.0
359.22113	34.0
377.18399	2.5
377.23190	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22317	0.7
55.77978	0.8
57.03419	1.4
57.06795	0.9
57.07068	15.6
60.63811	0.8
67.05491	2.6
69.03410	2.0
69.07061	41.9
69.96317	1.4
69.96732	5.2
71.04972	1.1
79.05460	1.7
81.07045	5.0
83.01337	2.4
85.06526	3.5
91.05473	2.7
91.30784	0.9
93.07026	11.7
95.04948	1.5
95.08585	2.0
104.11771	1.0
105.06981	1.1
107.08576	8.1
109.06456	1.3
109.10148	4.7
119.08593	0.8
121.06490	2.1
123.11663	3.0
123.80416	1.0
127.07536	1.4
135.08066	2.3
135.11688	13.1
137.05962	2.7
141.05513	1.0
143.08699	0.9
145.10043	1.5
149.09656	1.8
151.07544	1.0
153.05428	12.5
153.12720	2.9
161.09607	1.1
163.07533	4.2
165.05464	23.9
167.07043	1.4
173.09610	2.0
175.07513	2.1
176.08333	1.2
177.05463	1.5
177.09100	6.0
179.07019	24.6
181.08574	0.9
189.09085	1.1
190.06218	1.1
191.07011	5.2
191.10602	5.2
193.08568	1.4
201.09084	1.8
203.07002	3.6
204.07721	1.2
205.08571	7.6
205.12202	2.6
206.09297	1.2
207.10143	2.7
209.11708	2.6
215.10675	1.6
217.08595	2.4
219.06656	1.5
219.10135	30.6
221.11710	2.4
225.11197	1.8
229.12206	1.3
231.10153	12.0
233.11673	14.4
237.08926	1.7
237.11177	22.0
243.10046	1.0
245.11662	2.0
251.12750	16.9
257.11621	6.9
259.13205	1.8
269.15228	1.2
275.12735	9.5
275.16342	2.5
285.14819	5.9
287.16385	100.0
293.17224	1.5
303.15866	13.3
305.17410	26.5
341.21075	9.7
343.22647	9.4
357.20529	2.8
359.22128	81.8
360.22543	1.1
371.22119	10.5
375.21747	1.4
377.23193	28.3
389.23126	4.1
427.28375	6.7
445.29395	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	445.2941
Annotation	Foetidinol
Peak:m/z	Relative Intensity
54.12969	0.6
57.03427	3.8
57.07069	10.3
62.53917	0.7
65.37127	0.7
67.05488	1.4
69.07057	22.4
69.76088	5.1
69.76488	1.6
74.75969	0.6
79.05473	1.6
81.07044	3.1
83.01319	3.8
85.06537	1.1
91.05454	2.0
93.07027	5.3
95.08595	1.5
98.21419	1.4
105.07014	1.2
107.08581	7.2
109.02841	2.1
109.06500	3.1
109.10155	1.7
117.07016	1.2
119.08570	0.6
121.06487	1.3
122.14283	0.8
123.11698	10.4
127.03915	1.3
131.08553	1.2
133.37770	0.6
135.08009	4.3
135.11662	8.2
137.06000	3.7
139.03860	1.5
145.10110	2.6
149.05945	0.8
149.09598	2.4
153.05469	4.3
158.07214	0.9
161.05956	1.4
162.06760	1.6
163.07524	6.7
163.11151	2.1
165.05461	100.0
166.05725	0.7
173.09612	4.2
173.26712	0.7
176.08315	2.2
177.05438	2.0
177.09103	13.2
190.06178	1.1
191.07011	1.5
191.10640	6.6
201.09085	5.5
204.07790	2.1
205.08502	1.3
207.10201	1.4
217.08569	1.3
219.10139	83.6
220.10423	1.6
221.11699	45.6
222.12083	0.7
225.11163	2.1
237.11188	90.1
238.11362	1.0
269.15308	0.9
287.16388	39.9
305.17398	9.5
341.21161	2.0
343.22668	4.0
357.20532	0.9
359.22147	25.6
371.22046	2.9
377.22980	1.9
427.28061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.05481	1.6
57.03421	1.5
57.07065	9.6
63.54960	1.2
67.05500	2.5
69.07063	25.4
70.03777	9.1
79.05492	2.6
81.07034	5.9
83.01323	3.6
91.05482	3.4
93.07030	5.8
95.08629	2.5
107.08551	7.5
109.02840	2.2
109.10147	4.6
121.10107	1.3
123.11689	24.4
135.08073	4.3
135.11674	11.1
137.05989	5.0
145.10149	1.8
151.11124	2.3
153.05432	8.5
159.08000	1.7
163.07500	3.2
163.11250	1.8
165.05460	100.0
168.20348	1.4
173.09563	2.0
175.07585	1.5
177.09111	7.5
179.07013	3.1
191.07045	2.2
191.10703	4.0
201.09064	3.1
203.07050	2.0
205.08553	7.2
207.10118	2.1
219.10153	51.3
221.11710	52.9
223.09636	7.5
225.11273	2.6
231.10091	2.4
237.06073	1.8
237.11194	61.5
245.11630	1.8
245.39093	1.5
257.11728	5.6
275.12842	2.7
275.16360	3.3
285.14795	2.1
287.16388	95.2
288.16599	3.5
305.17441	29.0
341.21051	4.9
343.22644	20.9
345.20590	3.3
357.20337	2.9
359.22144	80.3
360.22461	3.7
371.22101	23.2
372.22748	1.8
375.21579	1.9
377.23190	6.0
418.92938	1.5
427.28452	7.7
437.11163	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57714	1.3
57.03419	3.2
57.06836	1.0
57.07067	8.7
60.28819	0.9
62.67202	1.0
63.86584	1.2
64.23383	1.1
65.62341	1.1
67.05473	1.8
69.07062	23.7
69.72502	7.3
69.72925	3.5
79.05449	2.7
81.07056	3.5
83.01305	2.7
85.06528	2.9
91.05471	3.2
93.07039	11.2
95.04922	1.2
95.08581	3.2
97.26990	1.1
105.06997	1.7
107.08582	17.5
109.06485	3.1
109.10146	2.8
119.08585	1.8
123.11685	10.1
135.08026	4.3
135.11693	20.8
137.05954	3.3
145.10106	1.5
149.06038	1.2
149.09586	2.1
153.05450	7.1
155.08528	1.1
159.07964	1.4
163.07562	5.9
163.11230	1.3
165.05464	68.0
165.91489	1.3
173.09637	2.6
176.08311	2.3
177.09074	12.2
191.10608	8.3
201.09074	4.7
203.06960	1.7
207.10181	2.8
219.10143	65.1
221.11700	14.1
225.11206	5.2
237.11189	100.0
275.16321	1.9
287.16379	82.5
291.15646	1.6
293.17371	6.4
302.84671	1.1
305.17325	5.4
341.21005	3.9
343.22556	5.7
347.61032	1.2
357.20599	3.2
359.22131	49.2
371.22147	7.8
427.28329	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	445.2942
Annotation	Foetidinol
Peak:m/z	Relative Intensity
55.05494	2.1
55.84531	0.7
56.10308	0.8
57.03416	2.6
57.06815	1.2
57.07067	17.9
67.05496	4.8
69.07060	63.9
70.67686	0.9
70.68033	2.7
71.91270	0.8
79.05464	1.5
81.07046	5.7
83.01319	4.0
83.08581	1.2
85.06516	3.6
91.05477	2.2
93.07022	6.7
95.04960	0.9
95.08585	1.9
95.28766	0.7
97.10101	0.9
105.07043	1.9
107.08588	5.0
109.02828	1.0
109.06498	2.6
109.10141	7.0
111.11681	2.9
118.80221	0.7
119.08558	1.9
120.58522	0.8
120.90277	0.8
121.06469	1.5
121.10200	1.1
121.52483	0.7
123.11698	9.2
127.03890	1.6
127.59146	0.7
131.08566	1.6
133.10133	1.7
135.08023	3.9
135.11673	10.5
137.05943	3.7
139.03862	1.4
145.10110	2.3
149.05954	2.2
149.09578	2.8
151.07504	1.2
153.05457	5.3
159.08052	0.9
161.05933	2.9
162.06781	1.5
163.07547	4.1
163.11157	1.8
165.05458	35.1
167.07033	10.9
173.09618	2.8
173.37711	1.0
175.07475	3.4
176.08356	1.5
177.05443	8.4
177.09058	11.5
179.06987	3.8
181.08537	1.1
187.07666	0.8
189.05440	2.6
189.08965	0.8
191.06993	7.4
191.10612	5.8
193.08563	1.3
201.09067	5.1
203.07002	8.9
203.10655	4.3
204.07808	1.3
205.08644	4.2
205.12231	1.9
207.10144	2.5
217.08623	5.2
217.12193	1.3
219.10146	80.0
219.48256	0.9
221.11691	13.9
225.11208	2.2
231.10138	4.7
231.13684	1.3
233.11697	2.1
234.46962	0.8
235.09587	2.4
237.11191	100.0
238.11537	1.0
243.10143	2.9
245.11659	2.3
249.11168	6.6
251.12766	1.7
257.11685	10.5
259.13245	3.2
259.16916	1.1
261.11108	1.4
269.11508	0.8
269.15024	1.2
273.14798	5.5
273.17316	0.9
275.12701	8.2
275.16339	4.1
287.16400	39.3
291.15863	8.0
303.15924	1.4
305.17429	14.2
341.21002	4.2
343.18637	1.4
343.22641	19.9
359.22128	57.8
375.21552	2.4
377.23196	37.2
408.53903	0.8
445.29587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	2.1
67.05486	0.8
69.07054	14.4
69.80531	5.6
69.80956	2.1
70.35301	0.8
79.05482	1.2
81.07061	2.2
83.01315	1.2
85.06546	1.0
91.05473	1.7
93.07033	8.5
95.08592	1.8
97.68282	0.7
105.07010	1.4
107.08578	9.0
109.10135	0.9
121.02798	0.8
121.06490	1.4
123.11696	6.8
135.07965	1.0
135.11674	16.4
137.05937	1.4
145.10106	1.6
153.05490	4.4
163.07619	1.7
165.05455	43.6
166.05806	1.3
169.04939	1.0
170.58553	0.9
177.05479	5.7
177.09050	5.6
191.10674	2.0
201.09157	1.6
204.07762	1.7
219.10149	33.2
221.11693	10.6
223.46443	1.0
225.11183	4.3
237.11183	100.0
238.11592	2.1
275.16385	1.1
287.16385	54.1
288.16830	1.0
293.17310	5.9
305.17477	4.0
343.22678	2.3
357.20541	2.3
359.22122	38.6
360.22357	2.4
371.22131	5.4
375.95602	0.8
427.28439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
55.05491	4.2
57.07068	48.6
60.56140	1.5
67.00515	1.6
67.05486	7.1
69.03423	2.0
69.07063	12.2
69.73822	1.9
71.04227	5.5
71.04986	4.4
78.00603	1.9
79.05477	3.8
81.07050	22.2
83.01351	2.8
83.04967	25.5
85.06524	30.0
86.54012	1.9
91.05463	3.2
93.07040	8.2
95.04958	2.0
95.08599	12.6
105.07008	13.6
107.08575	8.0
109.06506	4.0
109.10179	8.3
109.10824	1.6
111.03324	1.6
111.04418	5.1
117.07021	1.9
119.08562	4.9
121.06482	3.6
121.10118	5.3
123.04423	2.4
123.08103	2.3
123.11692	89.1
127.07529	2.2
131.08487	3.2
133.06487	3.3
133.10114	6.8
135.11693	11.9
135.43855	1.6
137.05969	34.3
137.09564	6.1
139.03903	1.8
139.07495	2.2
139.11145	1.9
145.10086	6.5
147.07971	2.4
147.11655	6.5
149.05986	2.8
151.03871	2.3
151.07486	2.6
153.05426	6.3
155.06970	4.1
157.10104	4.0
161.09627	3.5
163.11099	2.4
165.05489	14.4
165.09058	3.6
167.10652	4.6
171.07887	2.3
173.09560	6.0
175.07472	2.6
175.11163	9.9
177.09079	6.5
179.10648	4.5
187.07468	1.8
191.10683	5.3
193.08482	1.9
195.10117	2.0
197.13202	2.3
203.10635	7.1
205.08653	8.9
205.10300	1.7
209.11598	2.4
211.11142	1.9
221.11713	45.6
223.09528	10.8
235.13208	3.3
237.11078	3.6
243.13760	3.0
257.15237	2.0
259.55063	1.8
271.13397	3.0
287.16443	2.0
305.17563	2.5
309.14868	3.2
311.20032	5.5
313.18045	4.2
315.19479	3.3
321.18427	1.9
323.16495	2.4
325.21558	2.2
327.15887	8.8
329.21088	5.4
339.19525	6.1
341.17548	2.2
343.19125	6.1
343.22650	100.0
357.20505	5.2
359.18472	25.3
359.22446	2.9
361.23697	20.4
373.21719	2.9
375.21811	2.7
377.19620	19.0
391.22577	4.4
409.23517	9.2
427.28705	73.8
445.30154	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2945
Annotation	Foetidinol
Peak:m/z	Relative Intensity
53.03913	1.2
54.65724	1.0
55.05495	5.3
57.03399	1.2
57.07070	78.0
63.61022	1.0
66.92083	1.1
67.05495	8.1
69.03403	2.2
69.07060	39.4
71.04979	3.4
71.25867	2.2
79.05466	3.8
80.51976	1.2
81.07048	19.4
81.16283	1.2
83.01329	4.7
83.04516	1.5
83.04974	21.4
83.08613	2.1
85.06540	9.8
91.05455	5.8
93.07034	11.4
95.04950	4.1
95.08594	15.0
97.06484	1.4
97.10152	2.4
99.08067	1.3
105.03389	2.2
105.07012	15.3
107.04966	1.4
107.08579	15.4
109.06512	3.1
109.10146	9.6
111.08061	1.2
113.05969	1.3
117.06973	1.2
119.08559	4.5
121.06471	3.5
121.10126	6.1
123.04429	2.7
123.08052	2.8
123.11694	75.3
127.07518	2.0
127.94917	1.2
131.08530	4.2
133.06483	1.8
133.10121	13.3
135.08052	3.5
135.11647	10.4
137.05952	25.2
137.09550	1.6
139.03868	3.1
139.07483	1.4
142.07840	1.4
143.08549	2.8
145.10083	5.1
147.11664	3.2
149.05974	3.0
149.09656	3.5
151.07535	2.8
153.05457	5.2
155.07053	3.9
157.10124	2.7
159.08093	3.0
159.11626	1.9
161.09602	3.0
163.07542	4.0
163.11183	4.0
165.05449	17.1
165.09035	1.7
167.10704	3.3
169.10104	1.9
171.08031	4.2
171.11661	1.6
173.09637	8.8
175.07565	1.4
175.11147	6.5
177.05415	1.5
177.09091	9.0
177.12733	1.7
179.07056	1.9
179.10555	2.8
185.09650	1.7
189.09134	2.2
191.07040	5.7
191.10675	3.3
193.12195	3.7
195.06454	1.3
197.13255	1.6
199.11110	2.0
201.09056	1.6
201.12749	1.5
203.10660	9.0
205.08585	23.5
205.12073	1.3
207.11670	1.8
209.08052	2.2
209.11533	1.9
209.13287	2.3
209.44368	1.2
213.09091	1.8
217.12093	1.7
219.09999	9.1
221.11684	41.8
223.09592	25.3
223.11537	2.0
224.09874	1.2
225.09169	1.7
227.14336	1.5
229.12158	2.6
231.10106	2.5
233.13406	1.4
235.13168	1.4
237.10976	6.9
243.10158	1.6
243.13736	2.4
247.09381	2.4
247.13286	1.8
249.11238	4.8
251.17946	3.1
253.12206	2.1
255.13669	2.0
265.12201	5.0
267.13934	2.2
269.11780	3.6
269.15317	1.7
271.13281	3.6
275.16409	2.3
277.12186	2.0
279.17511	1.7
281.11340	1.3
281.64984	1.2
283.13159	4.6
285.14847	1.4
287.13254	1.5
287.16278	5.8
289.14334	3.7
292.14417	1.7
295.13260	2.3
295.16867	2.6
299.16406	1.3
301.14371	5.1
305.17740	2.2
307.17282	10.9
311.19992	3.4
315.15924	2.4
315.19540	1.3
323.16422	12.5
323.19962	1.9
325.17966	32.2
325.21439	2.9
329.21106	1.4
337.17892	3.1
341.17499	7.0
341.21103	2.2
343.18924	69.9
343.22675	100.0
344.19275	1.8
344.22968	3.2
347.18573	1.5
353.17557	1.3
357.20630	2.4
359.18445	9.7
359.22263	4.2
361.23654	26.1
375.23172	7.0
376.23154	1.2
377.19495	10.3
392.23474	1.9
393.24118	4.3
409.27359	1.7
411.25244	8.4
427.28598	61.7
428.28653	1.8
445.29651	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.6
57.07067	12.2
65.05220	2.1
66.63729	2.1
67.05484	6.8
69.06703	5.0
69.07059	73.4
71.04978	5.9
79.05482	3.9
81.07033	9.2
83.01333	9.1
85.06523	4.3
91.05474	4.9
93.07025	25.4
93.42121	3.1
95.04957	8.1
95.08562	12.8
97.10146	4.0
98.21506	5.6
99.04424	3.1
105.07009	11.8
107.04937	3.0
107.08588	18.1
109.06512	3.7
109.10138	9.5
111.08056	2.9
119.08572	5.8
121.06471	6.4
121.10126	8.2
123.08043	3.0
123.11661	12.5
129.07031	3.5
131.08556	7.0
133.10092	7.6
135.08046	9.3
135.11673	13.4
137.05939	5.6
137.09573	4.9
142.07755	2.6
145.10147	6.3
147.11674	3.8
149.05948	5.1
149.09586	9.0
151.07497	5.3
153.05424	6.9
159.08037	5.6
159.11671	2.9
161.09534	3.0
163.07530	8.5
163.11153	6.0
165.05453	91.8
165.09148	2.7
167.10692	6.3
170.43701	2.4
171.08060	8.0
173.09624	10.7
175.07591	4.3
175.11099	3.0
177.05493	5.6
177.09096	22.0
179.07027	11.9
187.07523	4.1
187.11073	4.4
191.06987	13.9
191.10652	10.7
193.08578	3.5
201.09055	6.0
203.07031	4.7
203.10608	6.3
205.08578	31.5
207.11787	2.7
209.07993	3.1
217.08563	3.3
219.10147	80.8
219.12196	5.8
221.11674	42.1
223.09618	33.1
229.08641	3.5
229.12204	3.0
231.10150	13.8
233.11638	5.3
237.11157	100.0
247.09644	6.0
247.13220	5.0
249.11165	24.2
251.12851	3.1
253.12247	5.0
257.11642	3.8
259.13403	3.0
271.13290	6.1
275.12860	4.0
281.15222	3.0
283.13245	7.3
285.14789	3.0
287.16382	47.8
289.14337	11.6
291.15930	8.9
299.12827	4.7
301.14246	4.2
303.16074	4.1
305.17517	11.7
307.15271	13.4
323.16412	8.0
325.17911	10.9
341.17654	13.0
341.21149	4.8
343.18991	34.2
343.22650	5.0
357.20477	5.5
359.18320	17.1
359.22122	40.0
360.18900	3.1
371.22186	3.5
375.21759	6.2
377.19461	67.8
377.22809	3.9
378.19943	3.9
393.24384	2.9
409.23611	4.8
411.25006	5.0
427.24677	14.7
445.25717	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	445.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05496	5.9
57.07067	3.0
60.47723	2.2
67.05503	12.7
69.03414	6.5
69.07061	43.5
70.98769	7.7
71.04973	13.0
75.59847	2.0
79.05496	12.2
79.36904	2.3
81.07044	11.5
83.01345	4.1
83.04990	5.9
83.48881	2.4
85.06544	4.3
91.05466	16.4
93.07030	19.5
95.04965	4.5
95.08574	14.9
97.06525	2.8
105.07019	63.9
105.07718	5.1
107.08572	18.2
109.06500	8.4
109.10126	7.8
111.04433	20.3
113.05970	4.4
117.07005	5.9
119.04864	2.7
119.08589	15.9
121.06458	5.9
121.10107	18.6
123.07220	2.4
123.08045	6.1
123.11666	5.6
129.07002	5.8
131.08543	12.7
133.10136	16.1
135.08044	6.0
135.11697	7.8
137.05960	3.7
137.09604	4.0
143.08527	7.1
145.10110	36.0
147.11668	9.0
149.05968	7.1
149.09605	3.6
151.07556	9.0
155.08562	2.5
157.10088	9.1
159.11665	6.5
161.09621	6.4
163.07564	3.5
163.11111	5.2
165.05400	6.3
165.09140	3.6
167.10654	12.1
169.04930	23.5
169.08575	7.8
171.08055	4.7
171.11717	4.1
173.09592	22.3
175.07597	4.3
175.11163	6.4
177.05373	5.4
181.08586	6.5
181.10022	3.2
185.09615	4.0
185.13130	2.8
189.08990	3.5
191.06992	11.7
191.10626	22.4
193.08612	4.8
195.06467	3.8
201.09091	7.9
201.12708	4.1
203.10619	2.7
209.08009	8.3
209.11537	2.9
209.13344	3.8
213.09142	3.2
213.12703	5.3
214.09845	5.5
217.12355	2.9
219.10133	6.4
221.07962	3.9
225.12720	7.4
227.10606	3.0
229.08334	2.9
229.12125	4.7
231.10083	3.1
233.08037	2.5
237.11162	5.2
239.08998	5.1
241.12216	4.2
243.13823	9.2
247.09517	5.6
247.13206	5.5
255.13745	9.6
257.11826	2.8
257.15302	10.3
261.11075	3.2
265.12173	4.0
265.47000	2.6
269.15314	8.3
271.13367	21.3
273.14908	3.1
280.14380	2.9
283.13190	6.1
287.12766	4.6
287.16327	5.8
289.14337	48.4
289.17557	4.9
290.14673	3.1
297.18323	3.3
299.16461	3.9
301.14359	4.0
307.15344	10.7
311.19983	35.3
313.18008	22.9
315.19562	25.9
317.17719	2.8
319.15295	5.3
321.18607	3.2
329.21066	34.0
339.19443	10.6
341.17480	8.5
343.19016	4.0
351.19733	3.4
357.20654	26.1
359.18472	100.0
375.21695	14.3
377.19556	85.8
378.19528	4.1
391.22678	6.8
409.23709	5.6
427.24606	28.8
445.25052	10.4
445.29520	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	445.2578
Annotation	Preaustinoid A
Peak:m/z	Relative Intensity
53.18235	3.1
55.05498	12.7
57.07060	4.5
67.05502	16.5
69.03411	6.6
69.06683	5.8
69.07060	100.0
70.98576	3.0
70.99652	10.3
71.04981	8.8
79.05473	7.9
81.05103	3.5
81.07036	6.1
83.01321	11.9
83.04951	3.8
85.06525	12.4
91.05461	7.6
93.07012	18.6
93.46985	2.7
95.04951	8.3
95.08591	19.7
97.10142	6.5
100.66041	3.7
105.06995	15.1
107.08565	15.8
107.09206	4.0
109.06485	8.1
109.10135	15.3
111.08065	4.2
114.75488	3.4
116.39426	3.3
117.99302	3.6
118.00287	3.4
119.08562	9.9
120.92159	3.3
120.93044	3.3
121.06471	9.7
121.10098	13.4
123.08053	7.4
125.09580	4.2
130.07825	3.6
131.08591	11.5
133.10106	15.8
135.08047	12.6
137.09595	8.4
141.05356	3.4
143.26234	3.1
145.10092	11.5
147.11644	5.5
149.06026	4.0
149.09598	12.3
150.52362	3.6
153.05447	15.0
159.08067	8.5
161.09587	5.7
162.06767	7.8
163.07509	15.7
163.11124	3.9
165.05467	13.6
167.10707	5.1
169.10132	3.9
173.09589	15.5
175.11205	7.7
177.05385	5.0
177.09018	18.3
179.03375	7.7
179.06979	9.5
180.03799	4.4
181.08504	5.6
187.07506	9.0
189.09125	6.2
191.07045	16.5
191.10719	8.1
199.11150	6.2
201.09016	3.4
201.12682	4.0
203.07008	3.9
203.10634	9.2
205.08566	82.8
215.10738	3.9
216.51569	3.3
217.08688	6.0
217.12239	4.1
219.06477	4.4
219.10110	13.6
221.11583	5.4
223.09624	78.2
229.12184	3.8
231.10155	15.6
233.11745	4.2
237.11086	7.7
247.09457	4.2
247.13194	6.6
249.11148	20.5
251.12772	10.3
253.12195	6.9
257.11725	8.4
261.11179	4.1
265.12277	4.1
271.13068	4.2
275.12744	4.8
281.03381	3.8
281.11609	6.2
283.13248	7.9
287.16434	22.3
289.14310	10.9
291.15826	16.9
301.14392	9.4
307.15262	22.6
317.13654	9.0
323.16367	6.7
325.17874	21.3
341.17392	19.8
342.17841	5.2
343.19003	85.2
344.19482	5.2
357.20505	9.0
359.18298	16.1
359.22064	25.6
360.19186	4.9
375.22662	4.2
377.19440	96.9
378.19760	5.4
391.22623	5.1
393.24231	5.9
409.23495	5.0
411.25107	6.5
427.24594	19.9
445.25818	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	445.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01187	1.4
55.05493	1.6
55.39836	1.3
56.27512	1.2
65.97086	1.5
67.05510	1.6
69.07056	19.7
69.84780	6.6
69.85200	4.2
71.04991	2.5
79.05479	1.7
81.07067	1.6
83.01333	4.6
91.05466	4.2
93.07034	9.4
95.08591	4.0
97.66346	1.2
105.07014	4.0
107.08582	6.5
109.10154	2.0
115.93948	1.3
119.08578	1.8
121.06511	1.9
121.10110	6.4
121.46304	1.3
131.08537	1.7
133.10143	6.8
135.08049	1.5
145.10175	1.7
149.05956	1.8
149.09622	2.9
159.08057	3.1
162.06767	2.5
163.07556	5.4
163.11110	1.3
165.05519	1.5
171.08089	3.0
173.09630	3.7
175.11191	1.4
177.09096	9.6
179.07007	1.7
187.07541	4.0
189.09145	1.5
191.06969	2.3
191.10799	2.0
203.10719	2.5
205.08563	53.5
206.08890	2.4
209.13347	1.8
211.11374	1.6
223.09612	66.2
224.09889	1.8
231.10095	2.0
237.12772	1.7
249.11211	4.4
251.17944	2.0
255.13657	1.8
265.12204	4.4
269.11823	3.6
273.15118	1.5
283.13260	2.7
287.12747	2.0
289.14508	1.9
291.44135	1.3
301.14304	3.7
307.16943	6.6
315.19257	1.4
325.17932	21.4
337.18045	3.8
341.20972	1.6
343.19016	100.0
344.19266	5.5
359.18408	2.5
375.22772	4.7
377.19534	18.8
383.49268	1.4
393.23734	2.0
411.25186	5.8
420.90930	1.5
445.25507	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54329	0.7
55.05488	1.4
58.54985	0.8
66.99717	0.7
67.05478	2.7
69.03407	1.1
69.07054	23.6
69.69640	3.1
69.70067	3.3
71.04976	2.1
72.79276	0.7
79.05493	1.2
81.07037	2.2
83.01332	3.0
91.05472	2.5
93.07037	3.0
95.04940	1.0
95.08598	7.5
97.10158	1.1
98.21448	1.0
105.07009	8.2
107.08574	8.9
109.06476	0.9
109.10123	1.6
111.43439	0.8
113.05973	0.7
119.08575	1.1
121.06443	1.2
121.10143	2.5
123.04380	1.3
123.08108	0.9
131.08545	1.7
133.10112	9.0
135.08035	2.8
143.08536	1.6
145.10147	1.9
147.11639	1.6
149.05887	1.1
149.09642	1.2
157.10123	1.6
159.08022	1.8
159.11652	1.4
162.06769	1.4
163.07509	2.7
165.05562	1.1
169.10129	1.6
171.08022	2.0
171.11641	0.7
173.09608	5.3
173.45232	0.7
175.07510	1.4
175.11163	3.5
177.09087	4.3
179.07072	1.4
183.11642	0.9
185.09622	0.9
185.13217	1.1
187.07541	1.6
189.09062	1.0
191.07022	3.1
197.08092	1.4
197.13220	1.6
199.11047	1.6
203.10648	1.7
205.08571	25.1
205.10454	1.4
209.13242	1.8
211.14807	1.4
213.09157	1.2
217.12340	0.8
219.10034	1.7
221.13318	1.1
223.06161	1.2
223.09599	30.8
223.14702	0.9
224.10052	1.0
227.10620	1.0
229.08566	0.9
231.10115	2.8
237.12682	3.2
239.14255	2.0
243.10420	0.8
245.11552	1.0
249.11200	5.3
251.10622	1.0
251.17969	5.2
255.13751	1.1
261.16415	1.6
263.17957	1.1
264.14902	1.0
265.12210	5.5
267.13803	3.9
269.11719	2.9
269.15234	1.4
271.13116	0.9
277.12119	2.4
279.17435	2.8
283.13254	5.0
285.14938	1.7
287.12698	1.5
291.17545	1.5
292.14554	2.7
295.13290	1.9
297.18469	0.9
301.14194	3.8
307.16864	13.8
315.16132	0.8
319.16913	3.2
323.16290	1.4
323.20142	1.9
325.17938	40.7
326.18210	0.9
337.17966	8.8
341.17239	1.5
341.21164	1.9
343.18988	100.0
344.19321	4.6
347.23312	1.1
351.19147	0.9
359.18329	1.4
365.24506	1.0
375.23203	10.6
377.19424	16.5
393.24127	5.3
393.28564	1.0
411.25259	7.1
445.26004	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	445.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77974	1.4
53.03952	2.1
55.05500	2.3
57.07068	19.0
61.08072	1.3
67.05490	5.4
69.07060	43.4
70.69565	4.6
71.04985	3.4
79.05479	4.6
81.07047	4.4
83.01348	3.5
83.04974	4.4
91.05482	4.8
93.07031	8.8
95.04965	2.6
95.08611	11.5
97.10150	2.3
105.06989	8.4
107.08582	14.6
109.06465	2.5
109.10135	8.0
121.06531	2.4
121.10142	4.5
123.04391	1.8
123.11684	20.5
131.08553	2.7
133.10098	13.3
135.08034	4.6
135.11728	2.5
137.05986	6.2
145.10138	2.3
147.07968	1.6
147.11665	3.9
149.09578	3.4
153.05418	3.2
157.10118	1.9
159.08058	2.0
159.11632	1.6
162.06837	1.6
163.07539	3.1
163.11122	1.6
165.05409	4.3
171.08049	4.4
173.09608	4.6
175.11185	5.6
177.05553	1.9
177.09082	7.6
179.07069	3.4
183.11707	1.9
185.09639	1.9
187.07552	3.0
191.07019	9.1
195.06557	1.9
197.13425	2.2
203.10651	3.9
205.08588	26.9
207.11679	1.7
209.07933	1.8
209.13310	1.9
213.12756	1.9
219.10083	3.6
221.11662	12.0
221.13443	1.7
223.09599	35.7
229.08543	2.5
229.12166	2.3
231.10062	2.5
237.12776	4.3
239.14159	2.6
243.10156	2.3
247.09637	2.5
247.13171	2.5
249.10928	2.4
249.13039	2.7
251.17963	5.9
253.12292	2.1
263.17667	1.6
264.15060	1.7
265.12201	6.9
267.13962	3.5
269.11740	2.1
271.13443	2.0
279.17493	2.3
283.13354	5.5
285.14899	3.0
289.14276	2.1
291.17743	1.9
297.18222	1.7
301.14307	5.2
305.15085	2.2
307.17075	13.4
315.15866	2.5
319.17032	3.5
323.16385	14.6
323.19971	2.5
325.17932	44.2
325.21179	2.0
337.17957	5.5
341.17560	8.9
341.21075	2.3
343.18985	100.0
343.22772	24.1
344.19196	4.1
344.22998	1.9
357.20920	2.2
359.18402	8.5
361.23615	5.8
375.23190	11.5
377.19492	7.8
393.24149	6.0
411.25366	12.4
427.23795	3.9
427.29205	12.3
445.30081	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	445.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99732	2.3
56.96560	4.3
69.03423	9.1
70.06598	2.7
70.50883	9.5
70.51231	3.0
72.08144	2.5
73.02893	2.4
84.04488	4.5
84.08134	7.1
85.02885	15.9
86.06052	8.2
87.04450	3.7
93.14087	2.2
97.02894	6.2
98.97575	5.4
104.07092	7.2
116.98595	2.1
125.07044	2.7
127.03900	6.7
128.98567	3.3
145.04932	5.9
147.07608	3.8
152.05640	3.7
158.99655	2.6
163.03920	3.6
180.99991	2.3
185.02843	2.6
201.08675	3.1
237.02733	3.0
237.34438	2.5
245.04999	3.1
245.11328	5.8
288.51920	2.2
314.27484	2.7
445.11023	100.0
445.18243	35.9
446.11414	4.9
457.29974	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	445.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.9
53.03930	4.0
55.01859	0.9
55.05497	3.1
55.75534	0.9
57.07072	1.9
57.92198	0.9
67.05491	4.8
69.03430	2.1
69.06698	1.1
69.07059	21.6
71.04997	2.4
79.05483	3.7
81.07031	4.7
83.01318	5.0
83.04984	1.7
91.05451	7.2
93.07053	7.6
95.04964	9.8
95.08598	12.3
97.06488	1.5
97.10127	1.4
105.03383	86.9
105.07014	12.9
107.07914	1.3
107.08584	14.2
109.06496	2.3
109.10164	2.5
117.06998	1.6
119.08572	5.8
121.06471	2.2
121.10125	9.1
123.08062	2.2
123.11713	1.5
124.48423	1.3
129.03365	7.1
129.06979	1.2
131.08539	1.4
133.10100	13.1
135.08037	3.9
135.11673	10.1
137.02304	3.0
137.09610	1.6
141.01840	2.4
142.07813	1.2
143.08548	3.8
145.06464	1.5
145.10100	4.2
147.08075	1.6
147.11656	3.6
149.09596	1.5
151.03905	3.0
153.05437	1.2
155.08530	2.4
157.10167	4.7
159.11664	2.3
163.07536	1.5
163.11154	2.6
165.05475	2.9
165.09100	1.6
169.04941	2.8
169.10141	2.6
171.11678	2.8
173.04312	1.0
173.09605	10.1
175.07555	1.8
175.11128	6.7
175.28375	1.0
177.05437	1.8
179.03381	67.2
181.08514	1.7
183.11691	2.0
185.05986	1.2
185.13257	1.4
187.11176	1.8
189.09242	1.3
191.07016	1.7
191.10629	2.3
193.04907	1.7
195.11642	1.7
197.04431	34.1
197.09631	1.3
197.13202	2.1
199.11124	1.6
201.09160	1.3
201.12750	1.2
205.04889	2.3
205.08557	2.3
207.11671	1.7
211.07549	2.4
211.11302	2.5
211.14777	1.6
213.12801	1.3
213.16408	1.5
219.06552	1.5
219.10106	2.9
221.11618	1.3
223.09538	1.8
225.12672	1.7
233.15349	1.3
235.14723	1.8
237.11174	2.7
239.06940	5.0
239.14360	1.2
242.11017	1.0
243.06444	2.0
251.14343	1.1
253.12318	1.9
253.19542	2.7
257.08060	74.3
258.08435	2.0
261.07419	1.2
263.10699	2.1
263.17828	1.6
265.12247	2.0
267.11569	1.7
267.14066	1.4
271.09613	2.1
279.17529	1.3
281.11673	3.3
281.18924	2.6
282.13965	2.2
283.09723	2.1
287.13077	1.0
287.16321	2.3
289.14316	3.9
293.18964	1.1
297.11191	1.8
297.16214	6.6
299.12839	4.9
299.20023	4.5
303.13672	1.2
311.19977	1.2
313.21753	1.1
321.11124	2.7
321.18335	1.8
325.14920	3.3
328.06415	1.1
331.16864	1.1
335.12610	3.3
339.19470	2.8
341.15384	3.9
343.18878	2.9
343.22629	1.7
353.15372	3.5
357.20355	2.9
359.16373	17.8
359.22000	2.7
371.16376	9.0
375.15750	1.5
375.21603	2.0
377.17404	100.0
378.17810	5.0
381.24072	2.9
385.23810	1.7
391.22647	2.2
395.22342	1.3
399.25174	1.3
409.21432	18.1
410.21872	2.1
413.23108	2.1
427.24442	8.7
445.24380	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.9
55.05495	3.1
57.03416	1.1
57.07068	1.5
58.04199	1.1
67.05501	5.5
69.03410	0.7
69.07050	3.2
69.95988	4.6
71.04972	2.6
75.04472	100.0
79.05490	4.2
81.03403	0.8
81.07047	6.0
82.89384	0.8
83.04974	1.5
83.08597	1.1
85.06551	1.1
90.69500	0.8
91.05443	4.5
92.05779	1.1
93.07034	4.3
94.07334	0.7
95.04974	3.6
95.08591	4.9
96.08939	1.3
97.06515	1.5
97.10175	1.0
98.20634	0.8
105.07012	5.1
107.08560	3.1
108.08965	0.7
109.06503	1.9
109.10104	1.0
113.05969	1.8
117.07012	2.4
119.08574	3.9
120.08920	1.3
121.06499	1.5
121.10153	2.1
123.04437	0.8
123.08043	1.5
123.11693	1.0
125.09669	1.0
129.07002	1.7
130.07341	1.4
131.08540	3.0
132.08853	1.6
133.06482	1.1
133.10126	2.5
134.10449	0.9
135.08046	1.5
135.11617	0.9
137.09647	1.1
141.05464	1.2
142.07436	0.7
143.08514	3.3
143.10660	0.8
144.08893	1.2
145.10126	2.5
146.10423	1.5
147.08006	1.2
147.11687	1.1
149.09625	1.7
155.08502	1.6
156.08940	0.9
157.10092	2.1
159.08122	1.4
159.11639	1.0
161.09596	0.8
163.07533	0.9
165.05415	2.5
167.08539	0.9
170.10498	1.0
172.12015	0.8
173.09598	2.9
175.11133	0.8
177.09093	1.4
181.04945	1.2
181.08595	1.0
182.10550	0.9
197.07970	1.0
198.13472	0.8
205.08568	3.3
217.08539	1.0
219.10155	2.3
220.10403	1.0
223.09639	2.5
233.08098	1.2
237.11235	2.8
238.11528	1.4
251.09161	1.1
289.14407	1.4
294.19421	1.6
307.15427	8.7
334.22336	1.1
340.19666	1.4
352.23474	2.8
357.20435	1.3
358.20831	2.6
362.34485	0.8
370.24637	4.2
376.21954	1.0
384.22672	0.9
388.25650	1.8
426.23242	2.8
426.27850	1.5
427.19531	11.7
427.24841	3.1
444.28265	24.6
444.33044	1.0
445.26059	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01856	2.4
55.05505	30.9
55.46019	1.2
55.50377	1.0
56.39185	1.2
56.87523	1.1
57.03172	1.6
57.03433	23.6
57.07061	3.5
57.97016	1.4
58.03182	1.2
65.03925	3.3
67.05496	88.8
69.03416	2.5
69.07061	41.8
71.04971	3.5
71.08645	1.4
71.57698	1.3
75.04474	8.0
79.05486	49.3
81.07047	77.7
82.07390	1.5
83.04971	6.3
83.08614	25.0
83.62516	1.0
85.06542	5.4
91.05473	34.7
91.09075	1.1
93.07033	68.1
95.04964	5.7
95.08593	60.7
95.09215	1.8
96.65672	1.3
97.06498	8.3
97.10155	11.0
99.08064	3.3
103.52822	1.2
105.04483	1.3
105.07024	27.3
106.74466	1.1
107.08585	39.3
109.06522	4.2
109.10138	27.4
111.08078	7.7
111.11735	2.0
113.05993	3.1
117.07023	8.9
119.08572	25.6
121.06516	1.7
121.10131	65.9
123.08061	11.3
123.11683	7.3
125.09604	2.8
125.32327	1.1
125.36183	1.2
129.07025	3.6
130.07686	1.4
131.07016	4.0
131.08525	10.1
133.10115	18.9
135.08047	2.8
135.11674	48.8
137.09604	7.2
137.13258	3.3
139.11212	2.3
142.07828	1.5
143.08591	4.1
145.06459	1.2
145.10100	11.8
147.08009	1.8
147.11671	16.7
149.09608	3.7
149.13220	15.8
151.11139	7.8
157.10129	3.3
159.11665	10.6
161.13199	9.6
163.11154	6.7
163.14818	3.6
165.12729	11.0
167.10657	1.8
167.14389	1.4
171.07997	1.7
171.11687	5.3
173.09618	14.6
173.13261	4.4
175.11276	1.7
175.14847	4.2
177.12747	5.6
179.14346	2.7
181.10173	1.3
181.12260	4.2
185.13292	4.7
189.16225	1.6
193.08556	1.6
195.12195	1.7
195.13678	6.3
197.13245	1.8
199.14902	2.0
205.08600	1.9
213.16432	2.3
217.15805	1.2
219.10065	1.8
221.15320	1.2
231.21091	4.1
233.13365	2.2
241.19487	6.6
249.22141	3.4
259.20560	15.5
277.21603	100.0
278.22058	2.9
283.13187	1.7
285.14972	2.5
295.22610	7.7
301.14441	5.1
321.18582	4.3
331.17105	1.5
333.24454	1.7
339.19641	1.7
341.17563	1.5
351.25272	42.7
352.25598	1.8
357.16907	2.9
357.20724	3.2
369.26331	43.8
370.26859	1.4
371.02277	1.3
373.21713	5.7
375.21869	1.7
391.22708	10.2
392.23145	1.6
409.23636	4.6
425.23575	2.6
425.28915	14.9
426.28830	1.5
443.30045	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.05502	1.4
57.03432	1.3
57.07070	11.1
67.05503	2.7
69.03434	1.3
69.06700	1.9
69.07059	28.9
69.80103	8.0
71.07969	1.1
79.05464	2.2
81.07047	2.3
83.01347	3.0
85.06531	2.4
91.05471	3.6
92.42910	1.0
93.07028	4.0
95.08057	1.5
95.08592	8.5
97.10184	1.6
103.63242	1.1
105.07030	8.2
107.08585	9.0
109.06530	3.0
109.10122	2.1
117.06975	1.4
119.04942	4.5
119.08540	1.7
121.10132	4.2
131.08566	1.9
133.10115	12.2
135.08046	2.5
143.08577	1.9
145.10109	3.6
147.11731	1.3
152.87466	1.1
153.05438	1.1
157.10104	1.8
163.07538	1.9
165.05447	2.9
169.10092	1.8
171.08093	1.2
173.09619	8.4
175.07570	1.4
175.11203	7.5
177.05490	2.0
177.09081	5.6
191.07057	2.1
191.10646	2.7
195.11644	1.2
199.11240	1.0
201.09097	1.7
201.12897	1.0
204.07805	1.4
211.14865	1.4
219.10124	35.0
221.11543	1.4
223.14751	1.5
225.09048	1.6
230.79474	1.0
235.09631	2.0
236.11995	1.0
237.11168	42.8
238.11328	1.0
239.14282	2.1
245.11566	1.3
257.37219	1.0
263.12711	1.8
265.11963	1.4
265.15823	1.2
267.13721	6.3
275.14157	1.0
277.19516	2.0
279.13788	1.6
283.13193	3.2
283.16693	1.4
285.14841	3.1
291.13840	1.2
293.15414	1.4
293.18848	1.4
295.13312	1.2
297.14825	3.3
301.14642	1.0
303.26352	1.1
305.17667	3.7
315.15799	4.0
321.18433	6.2
323.19965	1.2
333.18570	2.6
336.68365	1.0
339.19513	40.6
340.19897	1.4
341.21106	4.8
351.19641	5.8
357.20557	100.0
358.20932	3.3
359.21915	1.1
375.21640	33.4
376.21896	2.1
379.26315	1.3
389.24738	11.1
407.25833	7.2
425.26703	5.8
443.27902	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	443.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.03438	1.2
57.07069	10.3
59.63813	1.2
67.05470	1.4
69.07056	26.3
69.79893	4.6
69.80310	4.0
74.69466	1.4
79.05470	1.5
81.07029	3.0
82.90600	1.1
83.01326	4.3
85.06519	2.8
91.05457	3.5
93.07048	2.4
95.08601	6.6
105.07006	9.8
107.08577	11.0
109.06517	1.9
109.10130	3.3
119.04959	6.7
119.08601	2.3
120.46719	1.1
121.06466	1.2
121.10134	5.6
131.08531	2.3
133.10100	13.1
135.08018	2.9
143.08522	1.2
145.10071	3.7
147.11684	2.8
149.06009	1.3
158.12968	1.2
159.08057	1.4
163.07582	1.4
163.11169	1.8
165.05489	3.4
173.09550	8.7
175.11125	6.7
177.05424	1.9
177.09090	4.7
185.13239	1.6
191.06998	1.6
191.10585	2.9
195.11623	1.3
199.11131	1.9
201.09149	2.3
203.10741	1.3
205.08589	1.5
210.60713	1.2
211.14737	1.4
219.10127	33.5
219.12143	2.1
220.10417	1.2
221.11526	1.8
225.09155	1.4
237.11157	37.3
237.16283	1.9
239.14236	1.8
261.16714	1.8
263.12616	2.1
265.12271	1.5
265.16019	1.7
267.13803	5.0
277.12167	2.5
279.13675	1.7
283.13489	1.4
285.14789	3.3
293.19113	1.3
297.14944	4.1
303.15750	1.6
305.17508	2.8
315.15918	4.0
321.18539	6.2
323.19885	2.8
333.18423	2.6
339.19507	39.5
340.19928	1.6
341.20963	5.4
351.19519	6.5
357.20547	100.0
358.20926	4.3
359.21945	2.2
375.21548	32.0
376.21738	3.0
389.24786	11.5
407.25729	8.9
425.26971	9.7
443.27701	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	443.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.05495	2.0
55.55467	0.9
57.03418	1.2
57.06852	0.9
57.07072	10.1
58.06571	0.9
59.75623	0.9
61.82466	0.9
63.02504	1.0
64.21256	0.9
67.05480	3.1
69.03428	1.2
69.06702	1.9
69.07057	25.4
69.69448	7.9
74.67937	0.9
79.05453	2.3
81.07039	3.4
83.01331	4.4
85.06538	4.8
91.05464	3.7
93.07018	2.7
94.69621	1.0
95.08590	5.3
97.10152	1.4
105.07018	8.0
107.08585	10.6
109.06488	3.1
109.10130	2.4
117.06901	1.0
119.04926	5.0
119.08554	2.2
121.10092	6.0
123.11680	1.0
129.06972	1.3
131.08540	2.0
133.10104	10.6
135.04460	1.0
135.08003	2.5
135.11688	1.1
143.08501	1.2
145.10071	2.4
147.11632	1.7
153.05434	2.6
159.08128	1.3
163.07539	1.8
163.11189	2.5
165.05504	5.4
169.10078	1.4
171.11682	1.1
171.14197	0.9
173.09613	6.2
175.11156	4.5
177.05438	3.2
177.09077	5.3
179.03316	6.3
179.06950	0.9
187.11311	1.1
191.07144	1.4
191.10608	2.8
197.04465	1.3
201.09006	2.4
203.10526	1.3
204.07703	2.0
205.08553	1.1
209.13324	1.2
219.10127	32.6
219.12190	1.6
221.11742	2.9
223.14845	1.3
225.09032	1.7
225.10994	1.4
235.09563	10.3
235.14973	1.1
237.11172	37.4
238.11420	1.7
239.14275	1.9
243.10046	1.8
245.11707	1.2
255.13974	1.8
261.14740	1.4
263.12698	2.8
265.12186	1.8
267.13882	4.8
273.14871	1.5
283.13342	1.9
285.14780	6.1
291.13583	1.1
297.14780	4.3
301.14310	1.4
303.15887	2.4
305.17899	1.8
315.15842	4.1
321.18488	6.0
323.19977	2.2
333.18549	1.6
339.19528	35.6
341.21225	6.0
349.30377	1.2
351.19516	5.3
355.18921	1.4
357.20554	100.0
358.20874	5.0
359.22144	1.6
375.16971	2.0
375.21625	31.7
389.24631	9.7
407.25900	4.7
407.91565	1.2
425.26978	6.7
443.28265	6.0
443.33432	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
63.34011	0.5
67.05507	0.7
69.07063	14.4
70.71722	2.3
81.07050	1.3
83.01330	1.1
83.04966	0.9
93.07014	1.3
101.49628	0.5
107.08611	2.0
109.10125	0.8
123.00764	1.1
123.04404	1.1
123.11715	3.1
135.11702	1.0
137.02338	0.7
141.01749	0.9
151.03854	1.6
167.03409	0.9
169.04898	3.0
177.01820	0.7
179.03372	86.9
180.03700	1.7
193.04987	1.1
195.02901	3.0
197.04443	13.8
223.09467	0.9
233.08084	3.9
235.09616	100.0
236.09933	3.3
249.11247	0.9
273.11392	0.8
301.14328	0.7
303.15781	3.0
327.78778	0.6
355.18927	4.0
357.20551	74.8
358.21024	5.3
373.19943	1.5
375.21634	21.5
376.21771	1.6
420.86105	0.6
425.26642	1.6
443.27255	0.7
460.12311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
57.06845	1.4
57.07071	15.7
57.29802	1.3
66.75551	1.3
67.05502	3.4
69.07062	34.6
69.89810	10.4
79.05476	1.7
81.07050	2.8
83.01345	5.0
83.04956	1.5
85.06541	3.6
91.05478	4.8
93.07049	8.7
95.08590	12.7
105.07037	11.5
107.08587	9.6
109.10181	2.2
113.07546	1.2
117.06977	1.7
119.04921	2.7
119.08564	3.2
121.10128	18.9
124.82446	1.3
131.08565	2.6
133.10117	8.8
135.08038	3.7
135.11722	6.2
138.47484	1.3
142.04240	1.3
143.68307	1.3
145.10165	8.4
147.11656	2.0
149.06044	1.8
149.09586	2.2
155.08546	2.1
157.10178	1.4
159.08029	1.7
163.07571	3.3
163.11169	17.0
165.05463	5.6
173.09604	6.7
175.07568	1.6
175.11203	4.0
177.05545	2.1
177.09100	8.9
191.06966	1.9
191.10695	4.4
201.09073	5.6
209.08018	2.6
213.09148	1.5
217.08496	1.5
219.10152	49.0
220.10510	2.7
221.11685	3.1
229.08707	1.3
237.11182	59.8
239.14175	1.4
245.11664	2.6
263.12720	2.3
265.15649	1.6
267.13718	4.0
273.14926	3.0
281.13910	2.1
283.13226	4.1
285.14850	4.9
297.14871	2.8
302.92300	1.3
303.15878	5.9
305.17450	10.2
315.15921	4.7
315.65576	1.4
321.18301	4.3
333.18527	1.9
339.15771	2.5
339.19550	26.7
341.21158	5.4
351.19485	5.0
357.20557	100.0
358.20859	3.2
359.22061	3.6
375.21625	71.7
376.22043	2.0
389.24777	7.4
407.25864	9.3
425.26767	17.1
443.27936	36.1
444.27939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86110	1.1
57.07065	11.6
64.56680	1.0
67.05491	2.4
69.06692	1.9
69.07059	33.2
69.68618	6.1
69.69042	4.1
81.07041	1.5
83.01330	4.7
85.06519	5.8
91.05470	3.5
93.07014	4.4
95.08595	10.4
97.37473	1.3
105.06995	6.8
107.08585	9.5
109.06487	1.6
109.10129	2.4
117.06966	1.4
119.04915	3.0
119.08536	3.1
121.10117	13.0
123.57209	1.1
129.06941	1.2
133.10107	11.8
135.07991	2.8
135.11678	2.5
141.90788	1.0
142.44119	1.0
143.08611	1.4
145.10086	4.1
147.08049	1.2
147.11667	2.5
153.05443	1.7
163.07504	1.9
163.11142	1.9
165.05457	4.6
173.09570	7.7
175.11147	4.7
177.05466	8.3
177.09055	8.2
179.06953	1.6
191.06987	3.7
191.10603	2.1
197.08073	1.3
201.09100	2.8
204.07802	2.6
209.08009	2.0
211.14696	1.2
219.07999	2.3
219.10127	43.3
220.10451	2.1
221.11768	3.0
225.09071	2.2
237.11174	100.0
238.11530	2.7
241.08250	1.3
243.10202	1.3
255.13768	1.7
263.12677	3.3
265.12137	2.3
267.13770	3.8
273.14902	2.5
281.13919	3.3
283.13275	3.6
285.14798	3.4
295.13074	1.3
297.14761	3.8
301.14203	2.1
305.17404	8.0
313.17950	1.3
315.15765	6.9
321.18475	2.9
323.19974	2.7
333.18573	2.6
339.19522	23.0
341.21088	4.0
351.19458	3.8
357.20566	95.4
358.20868	2.7
359.22061	3.3
375.21634	65.2
376.21820	1.8
383.26797	1.1
388.71124	1.5
389.24750	5.9
407.25812	6.1
425.26794	7.7
443.27930	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15602	1.0
51.36642	0.9
55.01878	1.5
55.05503	1.7
56.57570	0.9
57.03423	1.9
57.06804	1.2
57.07069	15.4
67.05497	4.0
69.07056	33.7
69.52017	0.9
69.85605	6.0
79.05477	2.4
81.07047	3.3
83.01298	4.7
85.06525	1.9
91.05457	2.9
93.07026	4.4
95.08604	9.2
105.07012	8.1
107.08578	10.3
109.06503	2.0
109.10160	3.2
119.04903	3.6
119.08578	2.2
121.10136	8.5
123.08094	2.0
126.32446	0.9
131.08548	2.0
133.10104	14.8
135.08047	3.8
135.11717	1.2
137.60313	0.9
139.03818	1.3
145.10117	4.4
147.11664	2.5
149.09589	1.2
151.11101	1.0
153.05473	2.0
155.08496	1.4
157.10181	1.1
159.08055	1.4
163.07495	3.0
163.11174	3.2
165.05458	3.2
169.10077	2.4
171.11713	1.8
173.09602	8.3
175.07530	1.7
175.11197	6.1
177.09090	7.4
179.03378	2.7
191.06966	1.5
191.10669	4.6
195.11684	1.2
197.13264	1.8
199.11243	1.2
201.09114	2.7
203.10725	1.0
204.07800	1.1
205.08575	1.8
211.09532	1.5
211.14859	1.3
219.10136	47.5
221.11720	3.2
223.14912	1.3
225.09123	1.5
235.09547	2.1
237.11172	59.7
238.11662	1.6
239.14459	2.3
245.11531	2.1
255.10001	1.1
255.13672	1.3
261.16364	1.7
263.12726	3.3
265.12320	1.6
267.13788	4.3
273.14813	1.6
275.14230	1.4
277.12000	2.0
277.19385	1.3
279.13858	2.2
279.17154	1.1
281.13947	1.7
283.13287	3.6
285.14948	4.8
291.13699	2.0
292.14667	1.3
293.15353	1.1
293.18753	1.3
296.23151	1.0
297.14893	3.5
301.14426	1.3
305.17426	8.1
311.20224	1.2
315.15848	5.2
321.18631	6.6
323.20203	1.4
333.18344	3.3
337.17871	1.3
339.19489	38.5
341.21176	2.8
345.64886	1.1
351.19470	6.8
357.20547	100.0
358.20956	6.2
359.21689	1.4
375.21585	51.1
376.22046	2.4
379.26328	1.4
389.24506	10.2
407.25714	6.7
425.26981	9.6
443.27896	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92653	0.4
55.01869	0.5
55.05501	0.7
57.07050	0.6
67.05494	0.8
69.07060	11.5
70.18564	2.0
78.72717	0.4
81.07037	1.2
83.01341	0.9
86.47704	0.4
91.05472	1.0
93.07016	2.1
95.08585	0.8
107.08583	3.2
109.10105	1.0
112.87164	0.4
121.10092	0.9
123.11698	6.1
133.43521	0.4
135.11668	2.8
137.02287	1.5
141.01779	1.1
143.51111	0.5
151.03806	1.3
155.03340	0.8
179.03371	45.7
180.03708	0.8
193.05048	0.6
195.02859	1.6
197.04425	24.2
198.35490	0.5
217.04982	1.0
217.08699	0.4
219.06520	0.5
223.09583	1.9
229.76521	0.4
233.08070	1.6
235.09618	100.0
236.09947	3.7
247.09521	0.4
249.11198	0.8
259.09708	0.9
273.11169	1.6
275.12979	0.5
301.14291	1.7
303.15891	4.8
339.19504	0.5
355.19016	3.4
357.20557	48.5
358.20798	1.4
373.20151	1.0
375.21765	2.2
425.26996	2.2
442.73022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28096	1.1
55.05493	2.3
57.03415	1.5
57.06841	1.1
57.07070	13.9
62.91042	1.3
63.95029	1.1
64.84993	1.2
67.05495	2.0
69.07057	27.0
70.04144	7.4
79.05463	1.8
79.41058	1.1
81.07027	2.2
83.01332	3.6
85.06522	1.9
86.02087	1.2
91.05470	4.1
93.07021	4.5
95.08584	8.8
98.20784	2.2
100.24405	1.3
100.29425	1.1
105.07014	9.1
107.08577	10.4
109.06487	2.2
109.10156	2.3
119.04907	4.8
121.06490	2.0
121.10145	4.0
127.07536	1.3
131.08533	1.3
133.10101	12.8
135.08035	3.2
145.10097	3.6
147.11676	2.6
159.11688	1.9
163.07527	2.4
163.11197	1.7
165.05424	2.0
169.10146	1.4
173.09572	8.0
175.11147	6.7
177.09108	5.6
189.09119	1.4
191.10643	3.1
195.11534	1.3
196.53673	1.1
201.09114	2.8
205.08577	2.1
219.10110	36.8
219.12106	2.5
220.10413	1.8
221.11659	1.5
235.09589	1.9
237.11169	37.9
237.65002	1.3
244.05789	1.3
245.11624	2.0
250.59772	1.3
251.17735	1.2
261.16736	1.6
267.13770	4.4
273.15076	1.4
279.13675	1.9
283.13254	2.4
283.16739	1.8
285.14795	4.7
292.14359	2.3
293.15137	2.8
297.14865	3.2
303.15848	1.9
305.18591	1.6
315.16043	3.5
321.18600	7.5
333.18582	1.6
339.19525	45.7
340.19778	2.0
341.20987	4.8
351.19531	6.2
357.20547	100.0
358.20987	6.3
359.21979	2.3
375.21576	28.5
376.22119	1.6
379.26111	1.5
389.24689	11.3
407.25656	5.9
425.27014	7.8
443.27982	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	443.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58053	1.7
55.05499	3.3
57.03430	1.8
57.07069	13.7
62.00052	1.4
67.05500	3.0
69.06698	2.0
69.07059	29.4
69.96925	10.3
70.74399	1.5
79.05475	2.5
81.07038	2.4
83.01340	5.8
85.06541	3.9
91.05485	6.9
92.69681	1.8
93.07040	4.7
95.08593	7.7
97.10171	2.3
98.20727	3.3
101.08807	1.6
101.09535	1.5
105.07014	9.9
107.08580	15.2
109.06506	3.4
109.10161	1.8
119.04933	6.6
119.08555	1.7
121.10141	4.4
131.08510	3.2
133.10133	14.4
133.41830	1.5
135.08026	3.6
135.11658	2.8
145.10135	2.5
146.55429	1.6
147.11670	2.2
149.09526	2.1
153.05414	4.0
163.07487	2.0
165.05457	5.0
173.09615	6.5
175.11185	4.4
177.05446	2.2
177.09073	4.0
179.03387	2.6
187.73679	1.9
191.06987	2.8
191.10664	2.8
195.11641	1.6
197.13205	1.6
201.09097	2.9
205.08521	1.9
213.46747	2.1
219.10107	34.8
223.14827	2.2
235.09549	7.3
237.11185	37.5
253.10741	2.5
255.13875	1.9
261.16464	2.4
263.12540	2.7
265.12225	2.6
265.15921	1.6
267.13586	3.5
279.13828	2.2
283.13309	2.1
285.14664	2.3
287.16553	3.8
297.14853	3.3
305.18707	3.3
315.15906	7.0
321.18182	5.8
323.19739	2.6
333.18530	4.1
338.02374	1.6
339.19534	53.2
341.21048	4.6
351.19507	10.1
357.20566	100.0
358.20886	6.6
359.22397	2.9
375.21616	23.1
389.24637	16.1
407.25687	7.9
425.26880	5.8
443.27853	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	443.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.7
57.03445	1.3
57.07072	8.8
67.05483	3.0
69.07063	28.2
70.97004	2.9
79.05472	1.7
83.01336	3.6
85.06523	1.7
91.05458	2.6
92.82362	1.1
93.07046	3.4
95.08589	9.6
105.07010	5.5
107.08575	6.9
109.06480	1.5
109.10137	1.7
109.90466	0.9
119.04949	2.2
121.06561	1.1
121.10132	9.5
131.08583	1.4
133.10121	9.3
135.08025	4.2
141.44264	0.8
145.10136	2.7
147.11708	2.4
149.06026	1.3
149.09554	1.0
153.05432	1.0
163.07466	1.9
163.11148	1.1
165.05429	4.7
167.10666	0.9
171.11584	1.2
173.09567	6.3
175.07591	1.6
175.11177	3.8
176.08400	1.0
177.09056	6.5
189.09019	0.8
191.06969	1.7
191.10645	4.4
195.11771	1.0
197.09541	0.9
201.09174	3.2
209.08096	2.4
211.09555	1.0
212.08424	1.1
218.69759	1.0
219.10117	46.1
220.10464	1.3
221.11729	2.3
237.11169	58.1
238.11456	2.0
245.11656	1.2
255.13774	1.3
259.13309	1.7
261.16318	1.2
263.12805	3.8
265.12186	1.4
265.15823	1.0
267.13800	3.1
269.15466	1.2
273.14865	3.1
279.13550	1.3
281.13901	1.8
283.13275	2.9
285.14807	2.7
292.14551	1.0
293.19122	1.2
297.14828	3.0
301.14276	1.0
305.17313	11.0
315.15735	4.1
321.18506	4.7
323.20010	1.6
333.18509	1.2
339.19504	25.8
341.21069	3.1
351.19452	5.0
357.20575	100.0
358.20898	6.1
359.22226	1.4
375.21609	69.5
376.22198	4.1
389.24713	8.5
407.25845	6.5
425.26733	11.5
443.27896	37.0
444.28177	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	443.2424
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
55.05497	2.3
56.48526	0.6
57.07060	3.3
65.03923	1.0
67.05493	4.5
69.03419	3.5
69.07060	5.7
71.04990	3.7
79.05469	4.4
81.07043	4.1
83.01341	1.1
83.04987	1.0
85.06526	1.6
85.48307	0.7
91.05461	6.6
93.07022	7.0
95.04921	2.3
95.08599	4.7
97.06507	0.9
105.07014	48.2
107.08578	8.4
109.06468	1.9
109.10142	2.8
113.09558	0.6
115.05410	1.3
117.06991	3.0
119.08571	10.6
121.06492	2.6
121.10143	8.6
123.04398	1.1
123.08053	2.7
128.06198	1.2
129.06978	2.4
130.07732	4.3
131.08604	3.4
133.06456	2.0
133.10110	6.2
135.08031	6.6
135.11667	2.0
137.05925	1.1
137.09593	6.8
141.06966	0.8
142.07761	2.4
143.08569	3.7
144.09305	1.0
145.06490	1.0
145.10109	24.3
147.08022	3.0
147.11670	19.2
149.05969	3.4
149.09592	2.2
149.13237	0.8
151.07664	0.8
151.11148	1.4
153.09096	3.5
155.08531	1.9
155.10695	0.9
156.09305	3.3
157.06493	1.6
157.10069	4.9
159.08043	1.6
159.11647	3.3
160.08904	0.8
161.05986	0.7
161.09554	1.9
161.13301	0.9
163.07523	4.9
163.11185	5.0
165.05505	1.3
165.06860	0.7
165.09100	2.4
165.12631	0.8
169.04903	1.0
169.10091	1.3
171.08043	3.9
171.11684	16.3
173.09599	52.1
174.10165	0.9
175.07616	1.7
175.11165	28.0
177.09065	3.0
177.12701	2.0
179.03322	1.2
179.14304	2.1
181.08571	2.9
181.10036	1.2
185.09605	1.0
187.11185	2.9
188.08217	0.9
189.09113	4.1
189.12724	4.9
191.07062	0.8
191.10632	10.6
193.08517	1.0
193.12209	1.2
195.11722	0.9
197.09663	1.1
197.13237	1.2
199.11166	14.4
201.09077	3.5
202.09744	1.6
205.08478	1.0
205.12183	4.1
207.13707	6.3
209.13252	1.6
211.11220	1.2
213.12672	1.0
215.10666	1.3
217.08615	1.7
217.12195	9.6
219.10146	10.9
221.13359	1.0
223.13101	0.9
225.14818	1.9
227.14293	1.1
229.12132	1.0
229.55310	0.8
233.11612	1.9
234.12408	7.1
235.09503	4.1
235.13254	100.0
236.13548	2.2
237.11017	4.1
239.10600	1.0
239.14285	1.0
241.12344	0.8
243.13919	1.2
256.64169	0.8
263.14264	0.8
263.17804	0.9
265.19400	1.0
266.17221	0.8
267.13885	1.3
275.17648	0.7
281.18832	2.5
287.12607	1.1
291.17435	5.1
293.18948	2.5
297.14594	0.9
301.15594	0.8
303.15961	0.9
305.13831	1.3
309.18530	5.8
311.19965	1.9
319.16895	1.4
321.18369	0.8
327.19571	1.4
335.23642	1.2
337.17923	3.5
337.21655	1.3
339.19510	2.8
341.21075	1.4
345.21976	1.4
351.23297	0.8
355.19000	4.4
357.17023	1.2
357.20648	8.3
363.23193	11.6
373.20218	1.4
375.17719	1.6
375.21646	4.4
379.22708	3.2
381.24213	6.0
382.24466	0.9
386.98282	0.8
397.23831	1.3
399.25165	1.8
407.22009	9.3
415.25006	1.1
425.22867	14.2
443.23575	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.77064	1.6
55.01863	2.8
55.05494	12.7
57.03420	2.1
57.07058	3.9
59.04961	2.3
61.87681	1.6
65.03917	1.8
67.05491	23.4
68.99779	3.5
69.03416	15.7
69.07062	8.2
70.03212	5.4
70.03634	3.9
71.04978	14.7
75.04466	2.3
79.05484	17.0
81.07057	14.1
83.04933	3.9
83.08588	5.2
85.06544	2.6
91.05470	25.1
93.07027	26.9
95.04939	10.1
95.08596	28.4
97.06504	4.5
98.20570	1.5
103.05439	3.4
105.07012	54.5
107.04942	3.6
107.08580	23.5
109.06516	14.1
109.10126	4.8
111.08089	3.5
113.05985	4.3
115.05419	5.3
117.06975	14.3
119.07757	3.2
119.08560	36.7
121.06499	28.8
121.10127	12.4
123.04422	3.2
123.08037	13.0
125.05962	2.9
125.09608	1.7
128.06177	3.7
129.06976	16.3
130.07768	9.6
131.08553	17.3
133.06474	29.2
133.10103	14.9
135.07060	2.8
135.08031	35.6
135.11636	5.0
137.05939	2.7
137.09592	6.3
141.05380	1.9
141.06937	5.2
142.07756	6.1
143.08536	16.9
144.09355	2.8
145.06439	4.5
145.10100	42.7
147.08008	8.4
147.10588	2.4
147.11668	25.2
149.05984	2.3
149.09566	5.1
149.13254	2.3
151.07501	3.7
153.06935	1.7
154.07751	2.7
155.08534	9.2
156.09349	7.7
157.06462	2.8
157.08853	3.1
157.10094	23.9
158.07207	3.0
159.08034	11.2
159.11681	12.8
161.09581	7.5
161.13228	4.0
163.07530	39.4
163.11110	7.7
165.06937	2.7
165.09042	3.8
167.08540	4.6
169.10062	10.3
170.10840	1.8
171.08025	22.6
171.11679	13.7
173.09601	100.0
173.13188	3.4
174.10080	3.1
175.07494	5.5
175.11156	42.5
177.09077	3.4
179.06970	7.5
179.08501	3.6
181.10083	9.0
183.11647	7.4
185.09538	4.4
185.13232	3.8
187.11166	18.9
187.14838	2.2
189.08998	5.1
189.12677	9.1
191.06998	2.3
191.09090	1.6
191.10619	11.9
191.14293	2.9
193.10063	4.5
193.12325	2.4
195.11642	6.7
197.09595	4.0
197.13255	6.7
199.11148	11.7
199.14812	6.0
201.09102	3.5
201.12675	3.4
205.10312	2.1
205.12219	6.6
207.11650	5.9
207.13782	6.0
208.12207	2.2
209.09586	2.4
209.13179	9.2
210.10114	1.7
211.11238	4.7
211.14867	3.3
213.12718	3.9
213.16321	3.5
215.10629	14.0
217.08556	4.8
217.12187	13.1
219.10136	2.6
219.13716	3.7
221.13205	4.8
223.11234	2.4
223.14836	5.5
225.12697	4.5
227.10606	3.2
227.14494	3.4
233.09491	3.3
233.11606	25.7
235.12999	3.3
235.14929	4.7
239.14238	5.4
241.12256	3.1
241.15938	5.4
243.13739	2.4
247.11121	2.1
249.12817	3.4
249.16245	3.7
251.14291	8.8
251.17819	3.5
253.12254	1.9
257.15366	3.4
263.14285	2.5
263.17950	3.4
265.15848	2.7
265.19183	1.8
267.13730	5.1
267.17325	2.2
269.11688	4.0
269.15347	7.4
273.12610	2.0
276.15146	2.5
277.15805	2.8
285.14810	4.1
287.12692	16.0
287.15549	2.1
291.17328	17.0
293.18863	16.1
302.16623	2.3
303.17365	4.0
309.18512	10.7
311.19983	13.8
313.14355	2.3
315.21243	2.3
319.16882	6.2
321.18427	3.1
321.21988	2.2
323.16483	2.6
333.22055	5.9
335.23581	5.5
337.17987	8.6
339.19601	2.3
339.23218	2.2
341.24750	2.3
345.22189	11.5
351.23001	9.3
353.24518	2.5
355.18958	7.4
361.21515	15.2
363.23123	32.8
364.23541	2.4
369.24219	7.9
373.20001	10.7
379.22626	14.6
381.24185	32.5
387.24988	3.2
389.20874	6.4
399.25201	5.4
407.22049	48.7
418.74387	2.1
425.22781	22.0
426.23578	2.2
443.28522	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01861	7.7
55.05493	2.6
57.03187	1.4
57.03429	13.9
57.07057	1.9
59.04997	1.5
61.02921	10.4
67.05491	3.2
69.03421	25.9
69.07056	3.0
70.06585	0.8
70.33746	0.9
70.53542	3.5
71.01331	2.6
71.04974	3.1
73.02912	24.8
79.05479	2.4
81.03422	5.7
81.07026	3.5
83.04970	1.9
85.02895	100.0
85.06530	1.3
87.04465	5.0
87.63069	0.9
91.03941	6.6
91.05486	2.1
93.07036	3.1
95.04903	1.0
95.08599	2.3
97.02879	38.0
97.06532	2.1
99.04435	4.3
103.03948	2.1
105.07014	3.0
107.08562	2.7
109.02877	6.5
109.10151	1.7
115.03929	15.8
116.10747	1.1
116.87761	0.9
119.04971	0.9
119.08585	1.3
121.10123	2.8
123.08093	1.1
127.03900	32.1
127.04868	1.9
131.08551	2.2
133.04955	19.8
133.10138	2.9
135.11678	1.3
137.09579	1.4
145.04939	64.7
145.10034	2.3
146.06874	1.0
147.11653	1.8
149.09669	1.0
150.07600	4.2
151.03891	1.2
159.08051	1.6
159.11711	1.3
163.06010	23.6
163.07364	1.0
163.11189	1.2
171.08107	1.5
173.09630	2.9
177.05464	1.2
177.09201	1.1
181.04814	1.4
192.43649	1.1
193.04955	1.3
219.10121	1.9
223.05994	2.1
237.11177	1.9
241.07056	3.1
259.08072	2.7
293.19629	1.7
306.12164	1.1
339.19815	1.5
344.24200	1.1
357.20529	3.3
375.21451	1.6
406.23120	2.3
424.24973	1.9
442.26395	4.8
442.31903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01861	7.7
55.05493	2.6
57.03187	1.4
57.03429	13.9
57.07057	1.9
59.04997	1.5
61.02921	10.4
67.05491	3.2
69.03421	25.9
69.07056	3.0
70.06585	0.8
70.33746	0.9
70.53542	3.5
71.01331	2.6
71.04974	3.1
73.02912	24.8
79.05479	2.4
81.03422	5.7
81.07026	3.5
83.04970	1.9
85.02895	100.0
85.06530	1.3
87.04465	5.0
87.63069	0.9
91.03941	6.6
91.05486	2.1
93.07036	3.1
95.04903	1.0
95.08599	2.3
97.02879	38.0
97.06532	2.1
99.04435	4.3
103.03948	2.1
105.07014	3.0
107.08562	2.7
109.02877	6.5
109.10151	1.7
115.03929	15.8
116.10747	1.1
116.87761	0.9
119.04971	0.9
119.08585	1.3
121.10123	2.8
123.08093	1.1
127.03900	32.1
127.04868	1.9
131.08551	2.2
133.04955	19.8
133.10138	2.9
135.11678	1.3
137.09579	1.4
145.04939	64.7
145.10034	2.3
146.06874	1.0
147.11653	1.8
149.09669	1.0
150.07600	4.2
151.03891	1.2
159.08051	1.6
159.11711	1.3
163.06010	23.6
163.07364	1.0
163.11189	1.2
171.08107	1.5
173.09630	2.9
177.05464	1.2
177.09201	1.1
181.04814	1.4
192.43649	1.1
193.04955	1.3
219.10121	1.9
223.05994	2.1
237.11177	1.9
241.07056	3.1
259.08072	2.7
293.19629	1.7
306.12164	1.1
339.19815	1.5
344.24200	1.1
357.20529	3.3
375.21451	1.6
406.23120	2.3
424.24973	1.9
442.26395	4.8
442.31903	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11871	0.8
53.03933	1.9
55.01863	7.0
55.05501	1.0
57.03430	12.7
57.07057	1.5
57.76121	0.8
59.04978	1.3
61.02918	11.1
67.05486	1.8
69.03045	1.6
69.03422	27.0
69.07059	1.4
69.73687	2.6
69.74112	3.9
71.01337	3.1
71.04993	1.9
71.08631	1.1
72.04527	1.1
73.02906	39.4
79.05492	2.8
81.03402	6.1
81.07074	1.2
85.02895	100.0
87.04465	3.9
91.03933	5.8
91.05479	2.0
92.16416	0.8
93.07060	2.6
97.02882	38.6
99.04445	3.2
101.02383	1.2
103.03933	1.8
105.07014	1.5
109.02869	8.8
109.10160	0.9
115.03914	17.9
119.08571	0.9
121.06506	0.9
127.03902	33.1
132.06577	1.8
133.04948	22.2
133.10091	1.4
145.04941	54.8
145.10156	0.9
147.11635	1.5
150.07635	2.7
157.04887	0.8
161.09569	1.3
163.05997	22.0
167.06953	0.8
173.09709	0.9
175.11198	0.9
199.06149	1.0
219.09930	1.0
223.06000	3.0
227.16420	1.1
241.07063	4.2
259.08127	6.6
277.09204	1.8
281.17627	2.2
293.19586	3.4
295.10281	2.0
311.09058	1.4
317.13959	1.5
442.24960	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	442.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19659	0.4
53.03914	0.8
55.01839	0.7
55.05479	0.4
56.05027	2.8
57.03398	1.1
61.02882	1.7
64.05465	0.4
67.05461	1.1
69.03420	4.6
69.07013	0.3
70.06548	1.2
71.04952	0.6
71.66566	0.9
72.08110	0.5
73.02869	0.7
74.02430	2.2
81.03411	2.2
81.07010	1.1
82.06570	2.2
83.01315	0.6
84.08122	0.7
85.02895	10.2
87.04421	0.7
91.03947	0.4
91.05451	0.6
93.07045	0.6
95.08571	0.8
97.02889	3.8
99.04417	0.6
105.07006	0.8
107.04910	1.1
107.08547	0.5
109.02811	1.3
109.06483	1.9
109.10128	0.6
111.04403	0.6
119.08524	1.1
121.06475	1.0
121.10044	0.4
123.04379	1.6
123.08057	0.8
124.07587	4.7
127.03876	2.4
128.07068	2.7
131.08540	1.3
133.06493	0.7
135.04388	1.0
137.06015	0.4
137.09543	1.0
144.05649	0.5
145.04909	1.0
145.06444	1.2
145.10106	0.4
147.07974	1.5
149.05966	5.0
149.09512	0.6
157.06447	0.5
159.08032	7.2
161.06009	0.4
165.09090	25.5
166.09418	0.6
173.09535	0.8
174.09166	0.6
175.07527	2.7
176.08263	0.4
177.09076	3.4
189.09056	0.7
191.10648	11.4
192.10185	1.4
192.13861	0.7
195.02835	1.4
201.12712	4.3
207.13799	0.7
217.12210	3.1
218.15398	3.8
219.13774	3.4
234.14862	21.2
234.98915	0.6
235.15247	0.5
236.16422	1.5
245.13748	1.0
262.14249	0.6
263.12714	1.3
280.15396	100.0
281.10114	0.6
281.15723	2.8
372.67917	0.4
389.21075	0.4
442.20682	35.3
443.14282	0.4
443.20914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13543	1.7
55.05495	7.7
57.02055	1.6
57.07057	6.6
58.31469	1.7
66.81290	1.6
67.05495	23.0
69.07056	27.3
70.23779	9.3
77.03946	2.2
79.05491	12.5
81.07043	89.5
83.08607	4.9
84.38265	1.7
87.04439	4.4
91.05445	6.3
93.07034	25.7
95.08012	3.1
95.08590	47.8
97.10147	4.3
105.07030	10.7
107.08567	25.1
109.10139	30.9
111.11718	2.2
114.15866	1.6
117.06950	1.9
119.08559	9.5
121.10114	19.8
123.08041	1.7
123.11690	21.1
131.08537	3.3
133.10086	5.3
135.08026	3.6
135.11682	16.6
137.09598	9.2
137.13232	10.6
139.07524	5.4
145.10118	3.1
147.08070	2.0
147.11615	6.3
149.09575	10.8
149.13219	22.3
151.07574	2.6
153.09116	2.5
159.11638	2.9
161.13254	4.1
163.11176	2.9
163.14761	7.8
165.09094	100.0
166.09494	2.3
173.09491	4.1
173.13205	2.0
175.07562	2.4
175.11081	3.0
175.14847	3.3
177.09062	4.2
177.16383	5.5
179.10637	4.2
181.08522	6.5
187.01904	1.8
189.09073	4.5
189.12764	2.1
189.16310	3.3
191.10619	7.3
191.17926	2.3
203.10632	5.9
203.14313	2.0
203.17924	6.5
205.12244	17.4
205.19550	3.9
217.12265	2.1
217.19519	2.9
219.13687	3.1
229.12202	1.9
231.13747	9.9
245.15211	1.9
257.15204	2.9
273.18381	3.2
273.25943	2.8
287.19952	2.2
341.24710	2.3
373.20425	1.9
423.32602	8.9
428.09253	1.8
441.16309	8.9
441.26974	2.7
441.33380	12.6
442.17474	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	441.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01873	5.0
55.05503	24.5
57.03158	1.4
57.03430	27.4
57.07063	6.1
65.03928	4.7
67.05495	88.0
69.03425	1.1
69.07058	22.7
70.84599	3.0
71.04974	4.3
75.04486	6.4
76.30639	0.9
77.03925	1.8
79.05483	67.1
81.03409	1.8
81.07043	100.0
81.23337	1.1
82.07373	1.3
83.04970	6.5
83.08609	16.8
85.06522	6.0
91.05468	86.1
93.07033	73.9
95.04957	12.1
95.08594	56.9
97.04958	1.0
97.06521	11.4
97.10153	5.7
98.20735	1.1
99.08096	4.1
103.05477	2.6
105.04500	1.3
105.07015	43.1
107.04954	4.0
107.08578	35.6
109.06528	7.1
109.10143	14.4
111.08068	14.8
111.11695	1.2
113.06054	2.1
115.05389	1.8
117.06998	27.4
119.08562	38.3
121.06478	6.2
121.10130	29.8
123.08044	7.0
123.11692	3.9
125.09583	6.2
128.06198	1.6
129.05482	1.4
129.06989	9.6
131.07079	5.5
131.08543	36.8
133.06506	1.1
133.10107	36.6
134.10504	1.4
135.08031	24.8
135.11670	22.2
137.09663	6.3
137.10509	1.1
139.11212	2.5
141.06975	4.3
143.08557	6.1
144.09306	2.3
145.10107	29.5
147.08023	2.7
147.11667	23.8
149.09587	17.0
149.13232	14.7
151.11186	1.9
153.09143	1.7
153.12759	1.7
155.08549	3.5
157.10092	10.7
159.11676	33.7
159.12955	2.1
161.09639	4.5
161.13261	9.8
163.11148	14.0
165.12770	4.8
169.04939	1.8
169.10149	4.7
171.11688	10.7
173.09627	3.0
173.11821	2.4
173.13232	18.7
175.11159	6.0
177.12726	30.3
179.14377	1.2
181.12302	1.2
183.11697	4.3
185.13310	2.0
187.11171	1.8
187.14862	1.5
189.12791	1.8
191.14345	5.0
195.13806	3.6
197.13252	4.7
207.51012	1.1
209.15399	1.5
211.15059	1.7
229.19553	3.9
239.17931	16.6
247.20496	2.4
254.50635	1.5
257.18951	23.9
258.19260	1.1
265.12488	1.3
275.20032	92.6
276.20468	3.5
285.31711	1.2
289.14471	3.9
293.21112	3.1
303.16220	1.4
331.22675	1.8
349.23703	32.5
350.24075	2.0
367.24817	22.4
368.25342	1.6
373.20255	2.5
423.27448	8.8
433.44272	1.2
441.28485	50.4
442.29010	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	441.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.2
53.03946	6.7
55.01863	6.7
55.05501	24.0
57.03428	22.8
57.07067	14.0
65.03928	4.3
67.05495	100.0
68.05830	1.8
69.03423	2.5
69.07058	26.5
70.02595	8.5
71.04992	4.5
75.04466	25.4
77.03951	2.1
79.05481	72.9
81.03408	2.7
81.07047	98.4
82.07380	1.7
83.01348	4.6
83.04974	9.8
83.08612	12.9
85.06548	8.2
91.05466	89.9
91.49470	1.6
93.07031	81.8
95.04948	15.6
95.08588	60.0
97.06506	10.8
97.10115	3.8
99.08101	3.9
105.07014	51.2
105.07716	2.5
107.04977	5.0
107.08577	36.6
109.06499	7.5
109.10151	18.6
111.08072	12.3
113.06033	1.5
115.05466	3.2
117.06995	33.7
119.08564	36.4
119.09394	2.1
121.06506	6.9
121.10123	38.0
121.10970	2.7
123.08043	9.6
123.11722	5.3
125.09642	5.6
125.79623	1.6
128.06224	2.2
129.05495	1.6
129.06979	10.4
131.07071	3.6
131.08551	41.9
133.06494	2.1
133.10114	43.7
135.08052	22.1
135.11685	21.7
137.09592	9.9
139.03925	1.7
139.07547	2.1
139.11205	2.2
141.07004	2.4
143.08559	8.6
145.10097	32.0
147.08063	5.1
147.11665	20.6
149.09613	17.7
149.13243	11.1
151.11101	3.5
153.05458	1.6
153.09120	2.4
155.08630	2.8
157.10117	11.6
159.11667	33.5
161.09657	5.9
161.13313	7.3
163.11177	13.9
165.12766	4.7
169.04945	10.8
169.10095	3.4
171.08063	5.1
171.11659	12.1
173.09618	18.2
173.13220	17.4
175.11227	5.4
175.14806	2.7
177.05460	2.1
177.09102	1.4
177.12732	30.3
179.03525	2.3
179.10739	2.6
183.11734	4.9
185.13330	4.4
187.11166	2.8
189.12744	3.5
191.14311	4.5
192.30711	1.8
193.12256	3.1
197.13326	4.9
201.09109	2.2
201.12834	1.9
201.16360	2.2
209.15269	1.9
211.14874	2.0
215.18024	1.6
217.08655	2.1
219.10190	3.2
229.19621	3.1
235.09669	3.1
239.17935	14.7
241.08636	3.3
245.90851	1.8
247.09695	3.4
247.20622	2.4
253.12352	2.5
257.18970	21.6
265.12463	1.8
269.19257	1.6
271.13257	3.9
275.20016	88.0
283.13281	2.9
289.14340	15.7
293.21143	3.5
303.15842	1.9
321.18524	3.1
339.19717	6.5
349.23679	36.1
355.19125	5.0
357.20447	9.6
367.24817	22.5
373.20264	8.6
405.25174	1.7
423.27463	8.5
432.77621	1.7
441.28491	61.1
442.28537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39356	0.8
53.03929	1.1
55.05495	2.3
56.99359	1.1
57.07061	14.6
67.05492	3.1
68.18414	0.8
69.03408	2.7
69.07061	2.5
69.96880	4.0
79.05478	7.3
81.07050	3.4
84.08121	0.8
85.06523	3.7
91.05457	7.5
93.07025	21.8
95.04958	2.2
95.08607	5.8
103.05441	2.7
105.07010	25.4
106.07787	1.2
107.08575	18.3
109.06518	2.0
109.45129	0.9
117.07002	2.4
119.04928	3.4
119.08548	7.2
121.06499	3.8
121.10125	100.0
122.10458	2.6
123.08056	10.4
123.11742	0.9
127.07525	2.8
129.06989	1.6
130.07771	2.0
131.08565	2.7
133.06471	5.7
133.07504	2.0
133.10045	1.9
135.08015	1.6
135.11682	18.4
143.08488	2.4
145.10086	19.9
147.08031	1.2
147.11674	1.3
149.09596	1.5
151.07561	2.3
155.07092	1.5
157.10129	2.1
159.08095	1.5
159.11688	1.7
161.09601	3.0
163.11160	71.3
164.11542	2.9
165.01871	2.4
165.09108	1.2
173.09633	3.6
175.07565	1.2
175.11188	1.8
177.09068	1.1
179.06973	1.4
183.11719	1.3
185.09602	1.4
189.12704	1.5
193.08585	1.5
197.08034	1.1
205.08568	0.9
209.13156	1.5
213.09065	1.4
213.12746	0.9
219.10107	1.1
221.08081	1.4
229.12196	1.7
237.11084	1.8
239.09091	2.1
255.13921	1.1
259.13287	2.9
263.12778	0.9
277.14258	5.4
279.13800	1.0
279.17358	1.0
283.17023	1.1
303.15961	2.8
305.13882	3.1
319.16711	2.0
321.18387	3.1
328.28516	0.8
337.18109	4.2
339.19452	10.9
355.18936	4.6
357.20496	5.0
373.19809	2.1
405.24265	6.3
423.25177	8.0
424.25623	0.8
438.67227	1.0
441.26303	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	441.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07306	0.3
53.88312	0.3
55.01857	0.7
55.05481	1.2
57.03408	0.8
57.07067	44.5
58.07399	0.5
65.03916	0.6
67.05493	5.1
68.99780	0.6
69.03403	1.5
69.07059	19.0
79.05478	3.8
81.07037	3.7
83.01327	5.8
83.04961	0.7
83.08604	0.6
85.02858	0.5
85.06532	3.7
91.05467	5.7
93.07029	5.1
93.09555	0.3
95.04935	0.7
95.08588	15.4
96.08910	0.6
97.06513	0.7
97.10139	0.5
98.20646	0.8
103.05441	0.4
105.03343	0.4
105.07009	11.2
107.04935	0.4
107.08578	13.8
109.06477	1.4
109.10140	3.7
111.08053	0.4
113.05927	0.5
117.06979	2.0
119.04861	0.9
119.08570	3.7
121.06495	1.0
121.10130	8.5
123.04398	1.0
123.08041	1.6
123.11761	0.4
125.02333	0.7
128.06172	0.6
129.06964	1.1
130.07762	1.3
131.08556	3.8
133.10109	16.5
135.08008	0.9
135.11639	1.2
137.05910	0.8
137.09578	1.0
139.03836	0.8
141.05476	0.6
142.07730	0.6
143.08565	1.8
145.06409	1.1
145.10104	6.7
146.10872	0.6
147.08009	1.2
147.11662	2.8
149.05945	0.6
149.09598	0.6
151.03864	1.5
153.05479	0.8
155.03340	0.8
155.06990	1.3
155.08519	1.2
156.09291	0.5
157.06503	0.5
157.10088	2.3
159.08031	0.8
159.11682	1.9
161.05901	0.5
161.09599	0.8
161.13268	0.5
163.03903	0.9
163.07503	0.8
163.11177	2.0
165.05473	0.9
165.09082	1.3
167.03328	0.5
167.07068	0.6
167.10611	0.7
169.04939	57.1
169.09924	0.7
170.05269	0.9
171.08102	1.9
173.09590	33.6
173.12961	0.6
174.09926	0.8
175.07509	1.2
175.11157	5.2
175.51801	0.5
177.05447	7.1
177.09071	1.7
179.06978	0.5
179.08453	0.4
181.04953	0.6
181.10095	0.8
183.06459	1.7
183.08000	0.8
183.10078	0.9
183.11626	0.9
185.09523	2.0
185.13197	0.5
187.07486	0.8
187.11127	1.1
189.09067	0.5
191.06970	1.5
191.10648	1.0
193.04930	1.4
193.08572	0.9
195.06496	7.0
195.07996	0.8
195.11563	0.9
197.13196	2.6
199.07477	0.6
199.11256	0.5
201.09125	1.9
201.16418	0.5
203.10487	0.6
205.08540	0.8
207.06476	1.1
207.09889	0.5
207.11682	0.9
208.12479	0.5
209.08040	1.3
209.13213	0.8
210.10385	0.6
211.07597	0.7
211.09325	0.5
211.11186	1.0
213.09076	1.6
213.12636	0.7
215.07063	0.4
215.10590	1.3
215.14098	0.6
217.08731	0.5
217.12047	0.4
219.10114	12.6
219.12122	0.8
220.07610	0.4
223.11247	0.7
223.14767	0.9
225.09055	0.8
225.12691	3.0
225.16211	0.4
227.06956	1.2
227.10602	1.2
229.08594	4.7
229.12158	2.2
231.06528	0.4
233.08049	3.8
233.13329	0.8
237.08907	0.7
237.10791	3.1
237.12939	1.4
238.09831	0.6
241.06087	0.8
241.08562	15.4
241.12184	0.8
242.09090	1.2
243.10097	1.1
243.13756	3.3
245.08005	0.5
245.11708	0.4
247.09601	15.0
248.09827	0.5
250.09856	0.8
251.10580	0.5
251.14366	0.7
251.17694	0.4
253.10521	1.9
253.12387	2.0
255.10045	0.5
255.13776	1.7
259.09656	0.5
259.13239	0.6
261.11029	1.7
261.14893	0.5
265.12219	9.7
265.15683	0.5
265.16257	0.4
265.19458	0.8
266.12607	0.8
269.11728	1.4
270.12451	1.1
271.13239	15.8
272.13580	0.7
273.03137	0.5
273.11115	1.0
275.17548	0.7
275.20227	0.7
279.13788	0.5
283.13312	12.8
283.16830	1.7
283.20462	1.7
284.13577	0.8
287.12732	4.5
288.13516	1.5
289.14294	100.0
290.14688	3.7
293.18832	1.9
296.43893	0.4
297.14828	1.3
301.14450	0.6
311.16525	0.6
311.19943	3.2
321.18533	9.9
331.15378	0.7
337.18155	0.4
339.19507	32.0
340.19940	1.5
355.19101	1.7
357.20557	28.9
358.20807	1.4
371.18478	1.4
373.20050	46.0
374.20258	2.0
381.82822	0.4
423.25287	1.2
441.26416	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	441.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01852	3.0
55.05488	5.2
57.03426	3.4
57.07069	100.0
58.07394	1.9
58.19729	1.5
67.05491	11.0
69.03412	5.3
69.06710	1.8
69.07058	20.1
71.04961	2.1
71.78734	2.3
79.05473	7.2
81.07030	7.6
83.01350	4.2
83.04961	7.4
83.08614	1.6
85.06531	14.8
91.05458	12.2
93.07025	18.9
95.04935	7.9
95.08598	13.1
97.06515	5.0
103.05427	2.3
105.03371	6.3
105.07018	32.2
106.07306	1.8
107.08577	18.6
108.12943	1.8
109.06498	5.6
109.10162	11.4
111.04436	22.8
113.05995	5.6
115.05426	2.5
117.06996	6.7
119.04931	3.2
119.08549	13.8
121.06496	7.8
121.10136	23.9
123.04392	7.9
123.08039	3.8
123.11699	3.6
124.05145	2.2
125.05978	3.5
127.07572	2.3
128.06216	4.1
129.06970	6.8
130.07816	2.0
131.08580	10.2
133.06451	3.9
133.10107	13.9
135.08052	5.0
135.11646	10.1
137.05965	4.1
137.09602	1.9
139.03871	35.6
141.06978	1.8
143.08565	8.1
145.06465	4.5
145.10097	25.5
146.10489	2.0
147.08015	4.8
147.11620	7.0
149.05951	4.3
149.09544	2.9
151.03870	7.0
151.07503	3.3
155.08536	2.8
156.09355	2.4
157.06454	3.2
157.10081	7.1
159.08031	4.5
159.11658	4.3
161.05981	2.2
161.09573	4.6
161.13239	3.7
163.07509	4.7
163.11165	13.6
165.05568	2.7
165.06871	1.8
165.09120	3.6
167.03308	1.6
167.08568	3.3
167.10632	4.3
169.04979	10.8
169.10098	4.6
171.08022	8.2
171.11662	4.1
173.05968	2.8
173.09583	19.8
173.13298	1.9
174.06645	1.5
174.10007	2.5
175.07533	4.9
175.11194	4.9
175.14812	2.1
177.05466	4.7
177.09058	5.8
179.08490	3.0
179.10629	9.1
181.04932	1.9
181.08615	2.7
181.10117	4.6
183.11667	2.8
185.06007	1.6
185.09633	4.1
185.13242	3.9
187.07539	4.5
187.11139	1.8
189.09108	9.0
191.06975	6.3
191.10666	18.4
194.07254	1.7
194.10895	2.1
195.06442	2.6
195.08092	3.5
195.09990	2.5
195.11736	3.6
197.09622	2.0
197.13110	2.5
199.11168	3.0
201.05199	1.9
201.09074	7.9
201.12759	4.8
203.07027	6.5
203.10710	2.4
205.08589	5.6
207.10092	3.7
207.11798	2.5
209.09663	4.7
209.11432	1.9
209.13245	4.7
211.05676	1.6
211.11227	2.9
211.14812	2.1
213.09109	5.3
213.12744	6.2
215.07094	3.2
215.10669	2.0
217.08609	9.0
217.12086	2.3
218.09242	2.0
218.57635	1.6
219.10022	8.5
221.08022	2.7
223.07387	1.7
223.09595	2.3
223.14893	3.4
225.09117	2.6
225.12715	3.9
227.10654	2.8
227.14284	4.0
229.08577	2.0
229.12207	4.5
233.08095	3.1
237.09084	2.2
237.12857	3.2
239.10606	2.0
241.08484	2.7
241.12224	4.1
243.13852	4.1
247.09631	6.0
249.11073	1.8
251.14264	11.6
255.13724	11.3
256.14517	3.6
257.15350	4.4
259.13239	2.2
261.07507	3.7
261.10785	1.9
265.12140	3.2
269.15363	3.2
269.18912	1.7
271.13263	6.5
273.03882	5.5
273.14828	3.0
279.13617	7.2
279.17291	3.0
281.15488	2.3
283.13284	4.6
285.11481	2.0
285.14764	3.7
288.06259	2.9
289.14301	19.1
291.15936	4.0
293.18967	6.7
295.16992	3.0
297.11563	2.9
297.14883	4.8
297.18451	11.0
301.14459	5.5
303.15927	3.4
305.15311	4.5
306.15680	2.3
311.09155	4.7
311.20007	49.6
317.13998	3.2
319.15466	4.2
321.18497	20.4
323.16382	4.9
326.11292	4.0
327.19635	7.7
329.15018	1.6
329.21255	10.5
337.17969	2.3
339.19522	28.4
344.12540	9.3
345.18323	3.6
347.19681	4.0
355.18860	5.9
357.13318	3.3
357.20605	24.5
363.19492	7.8
363.23312	8.7
365.21085	15.3
373.20050	53.7
374.20529	2.1
381.19946	1.7
381.24252	24.3
385.12854	8.5
387.23199	18.6
395.25482	2.8
405.24222	46.3
423.25278	30.8
423.30945	2.3
441.19708	3.7
441.26297	62.2
442.26740	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	441.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.05500	8.2
57.03423	1.2
57.07062	1.7
59.04980	0.8
65.03917	0.7
67.05498	10.2
67.33550	0.6
69.03420	1.6
69.07049	2.8
70.94733	1.6
71.04976	1.2
79.05486	10.0
81.07043	11.1
83.04971	2.2
83.08604	3.2
85.06533	1.3
86.06041	0.7
91.05470	6.3
91.07594	0.8
93.07030	6.8
95.04980	1.6
95.08589	9.4
97.06508	2.0
97.10166	2.8
105.07022	7.5
107.04903	1.7
107.08576	6.2
109.06496	1.6
109.10153	5.3
109.10839	0.9
111.08076	1.4
115.05424	1.2
117.06992	4.1
119.04915	0.8
119.08580	4.0
121.06499	7.4
121.10114	4.2
123.08067	3.2
125.09615	1.7
128.06223	2.1
129.06993	9.0
131.04897	6.9
131.08545	5.4
132.52570	0.7
133.06499	3.9
133.10133	1.2
135.08054	1.7
135.11652	1.6
137.09601	1.2
141.06998	3.9
143.08542	6.5
144.05707	2.5
145.06471	52.5
145.10120	2.3
146.06816	1.0
147.08011	3.9
147.11679	1.2
149.09595	0.9
153.07045	1.1
155.08537	3.8
157.06488	6.4
157.10121	2.2
159.04413	1.1
159.08015	5.8
159.11713	1.5
161.05975	3.3
161.09662	1.5
163.11082	1.1
165.07033	1.0
165.08984	0.9
167.08568	3.2
169.06465	4.5
169.10106	3.1
170.07175	1.6
171.08022	10.2
171.11636	1.0
173.06071	1.1
173.09598	2.1
173.13278	0.9
179.08540	1.1
181.06444	1.4
181.10127	2.9
183.08031	5.6
183.11685	2.0
184.08742	1.0
185.09602	5.1
185.13232	1.2
187.14769	1.0
193.10138	1.4
195.08029	4.3
195.11662	8.6
196.08882	0.9
197.09625	3.1
197.13208	4.0
199.11162	1.3
203.10654	0.9
203.14188	0.7
205.10135	1.0
207.11696	1.2
209.09663	2.8
209.13255	2.2
211.11098	3.7
213.12717	2.9
214.17970	1.0
221.13275	1.1
222.10356	1.1
223.11160	2.9
223.14775	1.3
225.12743	3.4
227.14279	6.7
229.43799	0.7
232.10394	0.7
235.11180	2.2
237.12752	7.2
239.14366	2.0
243.13802	1.7
249.12668	1.2
251.14290	0.9
253.15814	1.2
255.13757	11.3
257.15369	1.2
263.14261	0.8
265.15961	1.0
269.15372	0.8
273.11887	1.1
273.14819	21.7
281.15308	1.9
283.16956	1.8
287.16501	1.3
292.48111	0.7
293.07959	0.8
293.15387	1.0
295.16650	0.9
297.18481	1.0
299.16376	2.8
311.16306	4.3
321.21893	1.7
323.19873	1.1
325.17822	1.1
331.20584	1.9
339.23343	4.0
349.21567	19.2
350.21899	1.3
367.22620	34.6
368.22980	2.7
377.24658	1.7
385.23715	8.0
387.23120	1.6
405.24191	9.8
423.25320	7.9
441.26328	100.0
442.26584	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	441.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.9
57.03436	4.5
57.07066	100.0
59.04985	9.7
67.05489	31.3
69.03413	13.3
69.07054	14.8
71.21219	3.2
75.04459	6.6
79.05471	20.7
81.07047	17.0
83.01365	6.1
83.04971	8.7
83.08596	4.2
85.06536	10.7
91.05470	17.8
93.07020	30.3
95.04974	13.9
95.08588	37.7
97.02903	3.9
97.06520	11.6
98.21481	9.3
105.07009	28.1
107.08572	31.3
109.06503	8.0
109.10152	17.1
111.08066	4.4
119.08566	24.4
119.72459	3.1
120.18834	3.9
121.06488	12.6
121.10120	18.3
123.08067	12.0
123.11719	4.9
125.06007	3.4
125.09598	3.5
128.06284	3.9
129.06976	7.2
130.09747	3.2
131.08554	17.6
133.06494	5.5
133.10120	28.2
135.04344	4.1
135.08061	11.8
135.11690	9.4
137.05971	5.0
137.09581	7.5
141.06969	5.6
142.07791	3.8
143.08549	11.9
145.06505	7.0
145.10094	23.3
147.08011	9.8
147.11729	21.5
149.09657	18.0
151.07541	9.7
151.11183	8.1
155.08534	7.6
157.10115	18.8
159.08040	10.0
159.11679	16.2
161.09592	15.7
163.11157	13.7
165.09097	3.3
167.08546	5.4
169.04988	6.7
169.10121	10.6
171.08034	9.9
171.11678	9.5
173.09634	35.6
173.11076	4.7
173.11572	3.7
173.13145	6.4
175.07478	5.1
175.11197	18.3
177.09070	7.8
179.10638	10.7
180.09361	4.4
181.10107	8.0
183.08040	4.7
183.11740	10.5
185.09622	7.0
185.13258	7.0
186.10266	4.2
187.11201	8.1
189.09076	6.9
191.06964	4.4
191.10666	5.2
193.10054	4.0
194.10881	4.7
195.10025	4.6
195.11647	8.5
197.09593	5.7
197.13281	10.9
199.11162	10.6
199.14821	4.9
201.09132	4.4
201.12766	9.5
203.10690	6.2
203.14252	5.0
207.11781	3.8
209.13298	9.1
211.11240	11.0
211.14827	8.2
213.08899	4.5
213.12697	20.7
214.13493	7.8
214.94331	3.6
215.10635	6.0
215.14275	9.9
217.08482	3.9
217.12230	4.9
219.10007	7.9
219.11882	7.3
221.13222	5.5
223.11212	5.8
225.12746	4.1
227.10654	3.7
227.14322	10.5
229.12277	5.1
235.09444	4.1
235.14850	4.6
237.10953	4.1
237.16383	5.0
241.15903	4.9
243.13776	4.8
246.66441	3.4
251.14278	5.8
253.15906	10.0
257.11700	4.1
259.13547	4.7
261.16409	4.9
265.15793	5.0
271.13361	4.0
275.18011	3.6
277.15744	6.5
279.17346	8.5
281.15359	7.1
283.16946	5.5
285.14847	6.5
289.14255	7.1
291.13559	4.1
293.11935	3.6
293.18890	10.8
295.20602	8.6
299.16248	6.6
303.16022	11.2
307.16916	9.4
311.19922	5.9
313.21524	4.8
315.15872	4.7
321.18539	17.4
327.15833	5.8
337.17896	5.9
337.21558	5.0
339.19482	16.4
341.17532	3.6
349.18002	6.2
349.21817	4.2
353.17737	3.9
354.55182	3.5
355.18964	4.9
355.22858	6.0
357.20590	15.5
363.22946	8.6
373.20636	8.4
373.74554	4.0
377.24875	12.4
379.26221	15.3
381.24258	15.1
385.12839	8.6
387.23380	5.5
391.22614	12.6
395.25781	10.8
405.24213	18.1
409.23663	21.8
413.26929	26.9
423.25311	32.8
431.58295	3.8
441.26324	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1387
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
52.03206	0.8
53.03933	1.3
53.17553	0.7
55.01865	2.0
55.05502	1.2
55.47450	1.0
57.03423	1.6
61.02921	2.0
67.05483	1.6
68.99784	2.4
69.03418	7.1
69.71259	6.9
69.90683	0.8
70.06580	1.5
71.04990	1.4
75.30085	0.7
79.05466	1.4
81.03423	4.0
81.07042	1.7
84.04502	0.8
85.02894	13.8
86.09708	0.8
91.05454	2.2
93.07037	2.4
95.04950	3.2
95.08581	1.4
97.02882	14.8
99.04419	0.9
105.07030	2.5
107.08591	1.6
109.02872	3.3
109.10180	1.0
111.04436	2.2
119.08581	0.9
121.06507	1.8
121.10147	0.9
123.04430	2.7
125.05948	0.9
127.03918	2.1
129.05467	11.7
130.88785	0.8
135.04393	1.0
136.05147	1.8
137.02325	0.8
137.09608	0.9
139.03879	4.0
141.37352	0.9
145.04964	1.5
145.06398	1.1
149.05974	2.7
151.03880	100.0
151.07472	2.6
152.04242	2.1
159.11784	1.2
160.05313	1.0
161.05908	1.7
162.03189	0.9
163.03839	5.7
173.09572	0.9
175.07498	1.3
176.04631	1.6
177.05444	13.6
180.79634	0.9
187.03899	1.5
191.03290	1.7
191.06987	15.2
201.05492	2.3
203.05240	0.9
203.07069	2.2
205.05052	1.6
217.48216	0.9
219.06493	30.9
220.06769	1.1
229.04895	1.8
231.06522	2.7
244.68542	0.8
247.05980	59.1
248.06285	2.1
261.26471	0.8
279.08582	35.4
279.11676	1.7
280.09036	1.1
289.05344	1.3
316.13593	1.4
355.17236	2.7
397.18259	6.4
405.24213	1.4
423.25497	0.9
441.17203	26.3
441.24368	4.7
464.48935	0.8
468.55817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1386
Annotation	Tetrahydroswertianolin
Peak:m/z	Relative Intensity
53.03942	3.4
55.01851	2.0
55.05497	0.8
57.03423	3.3
61.02911	1.2
68.08648	0.7
68.99748	0.8
69.03416	0.9
70.06556	2.1
71.01307	1.2
71.04964	1.8
71.77312	1.0
79.05448	0.8
80.14262	0.6
81.03400	5.2
85.02890	25.2
86.03249	0.8
86.09712	0.6
87.95061	0.5
91.05451	4.7
93.07021	2.8
94.00526	0.6
95.04969	1.5
97.02857	2.3
99.04452	14.1
103.03926	22.0
103.05425	4.6
103.25901	0.6
103.58616	0.6
105.03397	0.8
105.07037	1.5
107.04935	4.6
109.02865	23.8
111.04414	4.8
115.05437	2.8
115.94199	0.6
117.06997	3.7
119.04914	5.4
120.05279	0.6
121.06496	6.7
123.04407	5.8
127.03903	21.3
131.04910	4.5
133.02788	0.6
133.06448	1.8
134.03606	0.7
135.04390	1.6
137.02370	0.9
137.05959	1.4
139.03854	2.0
140.04633	0.7
141.05450	0.7
142.23895	0.7
144.05675	1.4
145.04939	30.1
145.06441	7.6
146.03604	2.5
147.04390	21.2
149.02327	0.9
149.05952	5.6
150.05493	4.0
151.05780	1.7
151.07550	1.3
153.05470	0.8
154.02617	4.2
155.04871	1.3
158.03584	0.6
159.04396	2.9
161.06007	1.6
163.03885	4.0
163.07497	0.8
164.04648	3.7
167.06956	1.3
169.04953	15.7
170.05695	2.5
172.05142	3.2
173.05962	6.2
174.03056	2.2
175.03796	3.1
177.05441	14.5
179.03331	2.0
179.07016	1.8
180.04196	1.4
181.08531	1.3
183.04539	1.7
183.06514	9.0
186.03094	0.9
187.03900	2.9
187.06013	3.9
189.05443	2.7
190.06212	3.4
191.03391	1.0
191.06995	2.4
192.04146	6.1
193.04880	4.1
194.05724	1.4
195.06505	3.3
200.04666	3.5
201.05428	7.4
203.03348	3.8
204.04166	1.1
205.04987	6.8
205.08589	1.6
207.03146	1.0
207.06493	26.6
208.07091	1.0
209.04404	2.7
209.08081	7.4
215.03392	2.0
218.05717	4.8
219.06468	4.6
221.04405	0.8
221.08058	2.5
222.05171	1.8
223.05998	1.5
229.05011	6.4
229.07033	1.2
231.02924	3.0
231.06607	0.7
233.08058	19.9
234.98965	0.9
235.05984	10.2
237.07610	20.2
238.08055	0.8
246.05170	3.4
247.05936	5.8
249.03870	0.9
249.07509	1.4
251.09131	2.6
260.98480	1.2
261.07556	47.0
262.07925	2.2
264.06268	2.9
267.08655	1.0
270.13034	0.7
279.08609	100.0
280.08984	3.5
293.74673	0.7
297.09720	15.8
298.10065	0.9
321.09644	2.4
339.10699	1.1
363.01453	0.9
381.02737	3.0
381.10446	0.8
405.11609	0.7
441.13409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	18.5
57.03421	3.0
61.02902	2.2
67.95328	1.2
69.03425	8.1
70.06590	10.0
71.31893	2.3
71.32224	1.2
73.02908	3.2
81.03397	3.1
84.04495	1.3
84.96033	8.1
85.02896	18.6
87.04479	1.2
89.03893	2.8
89.92858	1.4
91.05466	6.7
97.02874	8.0
98.97570	94.1
99.04449	1.5
99.97903	1.3
107.04939	1.3
109.02880	2.7
110.97556	24.9
110.98273	1.7
112.32803	1.2
112.99126	4.0
116.07087	19.7
116.98610	50.5
117.03354	3.2
119.01881	1.6
119.04923	6.7
124.99091	2.5
127.00748	1.3
127.03908	5.9
128.98593	36.0
128.99506	2.3
131.00153	7.9
131.01842	2.0
134.99648	13.2
135.04408	5.5
135.40509	1.3
136.06161	2.4
136.07564	18.7
139.67038	1.3
140.98595	8.7
143.00131	14.9
145.01712	2.3
145.02756	3.0
145.04953	3.8
146.99631	19.7
147.04341	8.5
148.03850	2.2
149.01230	2.8
152.98595	3.4
157.01753	1.2
158.99632	37.4
161.01207	18.1
163.02666	2.7
163.03883	31.5
164.04277	3.6
165.00710	2.5
169.04486	1.6
170.99628	27.8
173.01271	3.1
173.02937	2.0
175.02802	3.0
177.00696	43.3
177.04115	1.9
178.04927	5.0
179.02246	2.5
182.99617	16.4
185.01221	1.4
189.00693	36.0
191.03915	1.7
193.00227	1.5
193.03871	1.5
195.01720	2.9
200.02283	1.8
200.04292	1.1
201.00693	56.6
203.02278	2.7
203.04012	1.6
207.01758	7.1
213.00725	5.5
219.01747	62.3
231.01718	7.9
237.02809	30.8
243.01749	24.3
248.05588	2.5
249.02722	2.7
255.03786	1.4
257.06006	5.2
261.02805	100.0
262.03290	1.5
272.06543	5.7
273.02774	9.5
275.04242	2.2
279.03821	62.7
279.13290	12.4
291.03864	20.5
295.06918	1.5
297.04855	2.6
302.05536	3.3
303.03870	1.5
307.07208	1.5
309.04764	2.0
321.04895	51.6
323.06653	1.5
323.10220	2.9
333.04855	6.0
337.07953	4.2
351.05878	13.0
351.09604	2.0
355.08960	5.1
381.06946	4.2
399.07397	2.2
441.09000	37.7
442.09430	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	441.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75496	1.0
52.10885	0.9
56.96553	13.8
69.28120	0.9
70.10824	4.9
84.96029	7.3
97.38570	1.1
98.21436	1.2
98.91924	6.2
98.97569	86.8
110.96779	1.6
110.97549	24.7
112.99105	1.1
116.98611	46.5
124.99102	2.3
128.98598	32.5
131.00168	2.0
134.99643	13.8
135.31007	0.9
140.98579	7.7
143.00143	11.9
146.99641	16.2
152.98576	4.1
158.98381	2.0
158.99646	37.3
161.01227	14.3
162.99052	1.0
165.00681	1.7
170.99634	22.2
173.01143	2.0
174.21001	1.0
177.00694	35.9
182.32809	1.0
182.99614	15.8
189.00694	31.0
194.99669	0.9
195.01740	3.9
200.02350	1.6
201.00693	63.2
207.01761	6.6
213.00676	5.2
219.01753	50.8
231.01756	4.1
237.02805	18.9
238.49980	1.0
243.01736	22.9
249.02765	1.6
255.03882	1.1
261.02795	100.0
262.03253	1.4
273.02759	6.9
279.03854	61.2
291.03839	18.5
297.04889	3.8
302.05487	2.3
303.03699	1.0
309.04868	2.9
321.04880	51.1
322.05124	1.4
333.04803	7.2
351.06024	10.4
365.10345	3.8
381.07275	5.9
383.46970	1.1
399.07968	7.6
441.09079	33.1
441.14404	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	441.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68791	1.0
56.96558	16.6
64.90853	1.1
68.20242	1.0
68.98480	1.0
69.03416	2.3
69.49728	11.3
70.60645	1.1
84.96029	8.4
85.02891	5.1
87.04488	1.7
89.03892	2.5
97.02875	1.9
97.66184	1.1
98.97570	94.8
103.25075	1.2
104.07095	2.2
107.04964	1.3
108.98269	1.0
110.97561	24.2
110.98289	1.7
112.99164	1.8
116.07086	1.5
116.98608	49.8
122.05926	1.2
123.06318	1.1
124.99177	1.4
127.00751	1.5
127.03900	2.0
128.98598	32.0
130.05031	1.4
131.00163	3.0
134.99631	14.7
135.04413	5.6
136.07645	1.5
140.00223	1.2
140.98563	9.9
143.00142	16.5
143.01169	1.3
145.01761	1.9
145.02837	2.1
145.04988	1.1
146.13239	1.1
146.99635	20.0
147.04405	2.2
150.05482	13.3
151.05876	5.4
152.00201	1.3
152.98607	3.9
153.00665	1.2
158.99635	39.8
161.01227	17.7
161.02632	2.1
163.03889	19.5
164.04233	1.6
165.00769	2.0
170.99631	29.7
173.01195	2.6
177.00681	42.2
179.02264	2.7
182.99628	20.3
189.00693	33.7
192.03906	2.5
193.00267	1.3
195.01736	4.3
200.02357	2.2
201.00685	70.4
202.01118	1.7
207.01720	9.2
212.02489	1.2
213.00705	5.7
219.01741	61.0
224.02330	2.4
231.01727	8.2
237.00381	1.5
237.02776	28.5
242.03358	2.2
243.01735	22.8
245.05261	1.8
249.02757	3.1
261.02798	100.0
262.03082	1.6
267.03894	1.3
273.02740	9.4
275.06165	1.9
279.03864	70.2
279.13351	1.6
291.03827	21.6
291.06845	2.0
297.04941	2.9
302.05582	4.5
303.03662	2.6
309.04916	2.4
321.04877	54.9
322.05191	1.0
333.04776	6.9
351.05945	13.7
381.07040	5.3
397.10989	4.2
399.08179	6.4
423.04266	1.4
441.09366	53.4
442.09393	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.05502	8.0
55.61499	2.3
56.65089	1.9
57.07065	3.9
59.53165	2.0
67.05493	16.2
69.07055	30.0
70.91911	4.3
70.92311	5.2
77.63268	2.1
79.05495	13.5
81.07048	82.7
82.07384	2.6
83.04990	2.4
83.08612	4.2
91.05468	9.5
93.07035	27.8
94.07349	3.5
95.08596	43.4
96.08909	4.3
97.10171	3.0
105.06995	15.3
107.08581	24.6
109.10133	17.0
119.08559	14.9
119.50838	2.0
121.06506	3.3
121.10117	16.2
123.08037	3.4
123.11694	8.6
131.08545	5.1
133.10138	8.7
135.08012	4.9
135.11665	8.2
137.03265	1.9
137.05943	3.1
137.09593	4.4
137.13290	4.1
143.08516	4.1
145.10121	11.2
147.11662	9.3
149.09573	6.1
149.13275	6.1
151.07541	9.6
157.10121	6.7
159.08080	5.4
159.11670	7.0
159.50621	1.9
160.08615	2.2
161.06035	2.7
161.09607	5.4
161.13184	5.1
162.06686	2.4
163.11214	2.9
164.08322	7.9
165.05432	13.4
165.09094	26.6
166.09557	2.6
167.07030	4.5
171.11591	2.1
172.08705	2.9
173.09523	4.3
173.13231	3.0
174.06723	2.9
175.07582	10.9
176.08293	8.4
177.09052	14.3
177.16411	4.7
185.09644	2.9
187.11034	2.4
188.08272	12.1
189.09084	32.3
190.09865	3.6
190.16716	2.6
191.10622	6.8
197.13144	2.5
199.11148	2.7
201.09119	14.6
202.09724	10.4
203.10643	39.9
204.11409	8.2
205.12146	12.3
213.09189	3.5
215.10637	11.9
215.14536	2.8
216.11391	9.2
217.12198	25.5
218.12946	9.9
219.10173	16.6
219.13687	2.7
221.11655	2.8
227.10652	4.1
228.11456	4.4
229.12267	7.5
230.12932	3.7
231.13670	5.0
237.11189	23.0
239.15114	2.5
241.12242	5.4
242.13000	3.3
243.13753	13.9
245.15344	2.6
255.13826	8.2
268.14594	3.0
269.15335	3.6
271.16925	4.7
285.18539	2.5
301.17960	6.1
311.19876	3.6
323.19882	2.5
373.23520	3.1
379.26260	4.9
407.29352	7.7
414.61453	2.2
422.31516	100.0
423.31979	5.2
440.36676	28.1
441.26514	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	440.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
54.81178	1.6
55.01865	7.3
55.05503	14.3
57.03431	12.1
57.07064	7.0
61.02925	9.3
67.05481	6.1
68.99815	1.5
69.03423	34.6
69.07060	61.5
70.06565	3.1
71.01353	2.2
71.04975	5.2
71.79585	2.0
71.79958	2.0
73.02905	27.6
74.09720	1.4
75.82018	1.5
79.05476	2.7
81.03407	17.7
81.07037	7.7
81.07854	1.4
83.04994	2.4
83.08607	28.0
84.08126	1.7
85.02894	100.0
85.06548	1.8
86.06021	2.4
86.09676	4.2
87.00816	16.5
87.04487	2.4
91.03932	2.7
91.05462	4.6
93.07020	5.0
95.04948	4.7
95.08585	4.9
97.02885	41.4
97.06517	3.1
97.10170	5.3
99.04445	7.8
100.11244	3.0
103.03910	2.0
105.01865	21.3
105.07006	5.9
107.04948	1.9
107.08578	3.7
109.02860	23.4
109.10115	4.0
111.04459	2.3
111.08096	2.0
111.11710	24.3
115.03913	13.3
115.05438	1.3
119.08556	3.3
121.10136	1.8
123.04401	3.1
123.08023	2.2
123.11620	2.2
127.03895	61.9
129.01804	1.8
130.90999	1.7
131.08542	1.8
133.04958	19.3
133.10114	4.7
137.05934	2.4
137.13208	1.8
139.03889	2.1
139.14857	1.5
145.04935	37.2
145.10107	3.9
147.02696	1.7
147.11638	3.2
151.03889	1.5
157.15884	13.9
159.02882	3.2
163.06017	15.7
169.08620	1.9
173.09644	2.3
175.11197	1.7
175.16943	10.1
179.85533	1.7
182.15390	1.7
205.05040	1.8
212.16481	5.4
213.03876	4.7
214.59798	1.5
223.06061	2.5
231.04968	17.3
241.07010	3.4
243.15898	2.3
249.06015	2.0
259.08182	5.6
272.18539	3.7
283.19379	1.6
295.10013	1.8
315.13275	2.1
369.18967	2.4
440.23312	15.7
440.30045	6.5
441.16324	2.2
441.24991	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	440.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37446	1.2
53.03929	1.2
55.01854	6.3
57.03446	1.4
61.02901	1.6
67.05479	4.4
69.03416	19.0
69.07036	3.2
71.04967	5.4
71.81169	2.2
73.02890	2.8
79.05480	3.2
80.44228	1.3
81.03398	3.0
81.07048	12.9
83.04956	2.6
83.08614	2.3
85.02901	10.5
85.06532	3.6
86.09678	2.1
91.05457	3.8
93.07035	9.7
94.06575	1.4
95.04964	8.2
95.08598	5.3
97.02863	4.6
97.06507	4.2
97.96642	1.5
99.04437	4.0
105.06998	7.3
107.08551	5.8
109.06502	6.2
109.10130	5.5
111.08081	11.1
113.05978	3.2
113.12244	1.3
115.03900	6.4
119.08610	1.3
121.06471	3.8
122.06017	1.6
123.04421	1.5
123.08070	3.0
123.11700	7.6
127.03872	3.1
129.12749	1.9
130.04961	2.6
133.10114	10.5
137.05894	2.2
137.09581	4.2
138.60176	1.2
139.07518	31.8
143.08527	1.2
145.04938	2.8
145.10121	1.4
150.05473	5.7
151.07454	1.5
151.11163	16.8
153.05333	1.5
154.67770	1.2
161.09642	9.5
163.11188	2.2
167.07002	4.9
169.12192	4.5
173.08029	1.9
179.10643	19.3
180.08614	2.6
185.08069	80.7
189.09047	1.9
197.11710	44.9
207.10123	5.7
215.12813	13.3
225.11201	13.7
243.12260	100.0
244.12579	2.5
247.93825	1.4
261.13242	2.2
271.08344	1.4
288.08627	4.0
293.07721	2.4
365.09988	1.5
440.15970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.05499	7.6
57.03413	3.3
59.05008	3.2
67.05494	36.7
68.05817	9.1
69.03400	3.4
69.07059	7.6
71.04984	9.6
71.77771	4.5
79.05474	9.3
81.03393	8.9
81.07036	14.9
82.07369	2.7
83.04957	9.0
83.08594	5.4
85.02880	5.6
85.06532	2.8
88.31541	1.8
91.05473	13.4
93.07012	11.4
95.04958	8.3
95.08600	24.1
96.08912	2.5
105.07011	73.9
105.16553	1.7
106.07332	3.9
107.04913	2.3
107.08566	17.8
109.06533	3.5
109.10134	22.4
110.10468	9.9
111.08065	5.4
112.08387	3.0
113.09695	3.3
117.06984	3.3
119.04903	5.6
119.08566	19.5
120.08942	2.1
121.06446	2.9
121.10128	11.1
123.08060	12.6
125.09614	18.4
127.03918	3.1
129.06972	4.7
131.08580	3.7
133.10118	6.2
135.08044	3.1
135.11673	3.9
137.09560	2.8
141.09033	10.9
142.07738	8.1
143.08531	3.6
145.10092	20.8
147.11667	41.1
148.12100	1.8
149.05971	5.5
149.09608	4.5
151.07550	2.7
157.10130	20.5
158.10429	3.1
159.11636	4.1
160.12035	2.2
161.09578	2.0
163.11160	2.2
169.08585	15.8
169.10057	5.0
171.11723	3.2
173.09612	20.7
173.11818	3.0
174.10020	2.1
174.11983	2.7
175.11153	55.7
176.11569	3.5
183.11607	3.3
185.13248	2.8
191.10606	31.1
193.12227	8.8
194.12585	2.9
197.13202	5.8
199.14835	8.3
209.13106	2.5
211.11234	2.4
211.13110	4.1
211.14870	4.9
212.13684	5.9
213.12810	2.5
215.14192	4.1
215.93811	2.1
219.10159	3.2
227.14326	3.2
229.15854	3.1
237.11148	20.8
237.38335	2.0
241.19582	2.7
253.19408	2.8
256.85181	2.2
268.16226	2.2
269.18970	9.7
271.20541	62.9
272.20926	2.3
287.20108	9.7
289.21548	6.3
297.18390	6.3
315.19498	52.5
316.19946	3.3
333.20557	100.0
334.20901	3.5
343.18701	2.8
359.18469	6.7
361.20032	47.5
377.19397	3.2
387.17737	3.1
405.18958	17.7
423.20081	26.0
440.27438	33.2
441.26193	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	440.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.5
55.01862	9.2
57.03413	1.4
61.02916	1.1
61.90530	1.1
67.05490	6.4
69.03419	23.9
69.07059	1.8
71.04976	7.6
71.10907	2.2
71.11243	1.5
73.02917	2.3
79.05494	1.9
81.07043	12.8
83.04967	2.8
83.08591	1.4
85.02898	8.3
85.06533	3.7
91.05487	3.2
93.07027	8.6
94.07366	1.5
95.04958	11.0
95.08583	4.6
96.05282	1.4
96.90808	1.1
97.02865	4.8
97.06521	2.4
99.04430	3.5
105.07001	6.9
107.08583	5.2
109.06493	7.2
109.10146	6.6
111.08062	9.4
113.05952	3.3
115.03912	5.2
119.08554	1.3
121.06480	4.5
123.04414	4.2
123.08091	1.3
123.11672	7.3
127.03871	2.2
127.07561	1.6
133.10132	11.4
137.05949	2.3
137.09584	5.1
139.07523	31.5
139.11070	1.1
143.08524	1.6
149.05948	1.3
151.03865	1.9
151.11160	19.6
152.04245	1.4
155.06984	2.7
156.07425	1.6
161.09624	9.1
163.11165	1.9
167.07025	5.6
169.12221	4.4
179.10643	20.5
180.08643	1.3
180.21910	1.3
181.12291	1.4
183.06477	5.4
184.06813	2.4
185.08061	93.1
186.08389	2.6
189.09073	2.2
196.45932	1.2
197.09837	1.4
197.11705	44.9
207.10117	8.3
215.12767	12.0
225.11151	11.3
243.12250	100.0
244.12602	3.2
261.13242	1.5
335.89459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.84873	0.8
53.85164	1.0
55.01855	8.4
55.05507	1.6
57.03426	1.7
57.07070	1.1
59.85075	0.8
63.65867	1.1
65.93407	1.0
67.05495	7.4
69.03418	22.3
69.07063	1.2
69.89090	5.3
69.89499	1.3
70.03734	1.1
71.04977	7.9
73.02911	1.8
73.83971	1.1
79.05476	2.8
81.03391	1.4
81.07043	13.2
83.04971	3.6
83.08607	1.7
85.02892	9.6
85.06519	4.1
91.03929	1.1
91.05439	2.7
93.07047	11.7
95.04953	13.7
95.08586	5.9
96.05279	1.9
97.02883	5.0
97.06509	2.9
99.04425	2.9
105.07035	6.3
107.08573	4.3
109.06505	6.0
109.10146	7.6
111.08060	11.6
113.05978	3.1
115.03905	4.1
121.06472	4.3
123.04422	7.3
123.08033	3.2
123.11695	7.2
124.04740	2.9
126.06742	1.1
126.09129	1.3
127.03931	2.4
133.10121	13.9
137.02359	1.5
137.05934	2.1
137.09598	4.9
139.07523	31.9
143.08563	2.4
145.04990	1.7
149.09583	1.3
151.03857	1.5
151.07538	1.7
151.11156	19.8
152.04224	1.9
153.01778	1.3
155.07019	4.0
156.07350	1.4
161.08588	1.0
161.09610	11.0
163.11227	1.8
167.07013	5.3
169.12225	6.3
173.07991	1.2
179.10637	20.1
179.12103	2.0
180.08614	1.0
181.12170	1.0
183.06517	7.2
184.06851	5.5
185.08064	84.8
185.45868	0.9
186.08423	2.5
189.09041	2.8
197.11703	45.5
199.13170	1.9
207.10118	7.7
215.12764	14.8
225.07596	1.2
225.11172	10.1
226.07903	1.6
239.03424	1.3
243.12254	100.0
244.12628	3.7
261.13281	4.0
310.38718	1.0
337.05225	0.9
343.18518	1.0
349.61749	1.1
410.90131	1.4
416.28894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
57.19583	0.1
65.03938	0.5
67.05492	2.6
70.06569	0.2
71.76974	0.1
75.39835	0.1
79.05460	0.3
81.03402	0.4
85.02888	0.2
86.09684	0.1
93.05770	0.2
94.06554	9.0
95.04958	0.3
106.06542	3.1
110.06045	0.3
111.04411	0.1
122.06013	7.2
123.04413	0.6
125.02309	0.3
127.03885	0.2
138.05479	0.7
139.03874	1.4
147.04379	0.4
147.81044	0.1
150.05486	100.0
151.05843	1.4
154.00163	0.1
160.07545	0.4
163.03864	0.2
168.06541	3.8
168.07947	0.3
170.69566	0.1
171.01115	0.5
174.05482	0.5
183.06432	0.2
192.03958	0.2
197.02693	0.2
202.08600	0.1
214.08459	0.2
215.03606	0.2
216.93587	0.2
228.06546	0.3
241.04501	0.1
242.08099	0.2
260.09268	0.2
261.04343	0.3
266.41342	0.1
270.04868	0.1
270.07584	0.6
278.10184	0.2
288.05954	0.2
288.08618	4.7
312.44220	0.1
373.59686	0.1
397.11087	0.3
440.13324	4.0
441.09842	1.0
459.30020	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	440.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07253	0.9
55.01862	1.1
58.99577	3.4
60.98415	1.1
65.40176	0.9
67.05492	1.7
69.03409	2.5
70.06578	2.4
71.47408	1.2
76.02221	5.2
79.05479	1.6
81.07044	3.5
84.04507	1.3
84.08138	1.0
85.02901	2.9
86.09708	1.2
86.99047	2.2
91.05458	1.1
95.04973	1.4
95.08595	1.7
97.02901	2.7
99.08089	1.9
100.02212	5.7
104.07095	1.7
105.00076	1.6
105.07053	1.2
108.04433	1.1
119.04897	1.1
122.06074	1.3
123.04427	10.4
123.08060	5.7
125.06039	2.0
127.03905	2.1
136.07574	1.3
138.05443	1.4
144.08057	1.0
144.72012	1.0
146.02692	6.5
147.04402	3.2
150.05527	2.7
151.07484	2.0
153.01799	2.2
161.05959	1.8
161.09552	1.0
163.66492	1.0
165.05487	1.8
169.06499	1.1
172.07571	1.3
175.08662	3.9
183.06685	1.7
186.09085	2.4
188.03848	2.0
189.10243	2.9
196.04286	1.5
196.07574	3.9
198.09172	5.1
199.08635	1.5
199.13277	4.0
200.07008	2.2
207.10181	1.3
209.05338	1.1
212.10912	1.6
213.10234	7.7
214.08675	3.6
215.08122	1.1
215.11807	4.4
217.09698	2.1
225.05470	1.4
225.11156	2.2
226.07257	1.4
227.11729	1.3
229.04988	1.1
231.11314	1.5
235.10738	6.6
240.08882	3.3
241.09671	30.3
241.11978	1.9
242.04765	1.7
242.08145	3.2
242.10312	2.6
243.11252	15.4
254.10541	2.2
255.08850	1.2
255.11151	5.4
257.12750	1.4
258.12375	10.1
259.10751	25.6
259.13358	1.6
260.09137	2.0
262.03842	1.0
271.08929	2.4
271.13260	1.7
273.12558	1.5
275.05331	1.3
276.06079	1.9
277.06052	1.4
277.11691	2.0
278.06403	1.9
283.10672	7.6
284.14023	1.3
285.12228	11.0
286.09552	2.1
288.08743	3.3
289.07108	3.6
299.08511	3.1
301.11826	25.5
302.10010	1.6
303.13333	3.5
317.10074	1.0
317.13647	20.8
318.12842	4.5
319.12909	5.4
344.07288	2.6
360.13724	2.0
362.11816	8.6
363.10107	4.6
404.12784	17.6
405.11188	6.1
422.13757	100.0
423.12527	11.5
440.13577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53496	0.1
53.03925	0.3
53.40268	0.1
54.76334	0.1
56.78725	0.1
65.03917	0.5
67.05492	2.4
69.03417	0.1
70.06556	0.2
70.50948	0.1
70.97481	0.1
71.78681	0.1
72.08125	0.1
79.05464	0.4
81.03405	0.2
82.06535	0.1
85.02875	0.3
86.09653	0.2
94.06552	9.0
95.04971	0.3
98.21590	0.1
103.05453	0.2
105.06993	0.2
106.06530	2.6
107.04962	0.1
110.06034	0.2
111.04417	0.2
118.95802	0.1
119.04919	0.2
122.06012	7.1
123.04404	0.4
124.45202	0.1
127.03905	0.1
128.07056	0.4
131.04930	0.9
137.05977	0.1
138.05482	0.8
139.03894	1.2
145.02827	0.1
147.04446	0.2
148.03902	0.1
150.05481	100.0
151.03926	0.2
151.05815	1.3
156.07756	0.1
160.07594	0.6
161.05934	0.4
163.03885	0.3
163.07547	0.7
164.06973	0.2
164.97580	0.2
168.06541	3.9
174.05490	0.5
183.06403	0.2
193.08652	0.2
202.08566	0.2
225.11121	0.1
228.06526	0.3
242.08157	0.3
243.12254	0.2
260.09244	0.2
270.07584	0.7
279.08527	0.2
288.08630	5.6
297.29706	0.1
335.40839	0.1
388.15472	0.1
440.13348	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	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56773	1.1
53.03951	1.7
55.05510	8.2
57.07077	6.5
67.05497	20.0
69.03419	1.3
69.07063	16.8
70.55270	2.4
70.55650	2.3
71.08615	2.3
79.05486	9.3
81.07048	52.8
83.04977	2.8
83.08599	5.0
89.06027	4.2
91.05454	10.6
93.07034	21.6
95.04939	1.6
95.08597	56.7
97.10149	4.3
105.07014	13.9
107.08581	22.4
109.06510	1.3
109.10146	35.9
111.08087	1.8
117.06982	3.1
117.16237	1.0
119.08562	18.9
121.10134	14.2
123.08107	1.6
123.11701	21.5
125.09603	1.4
129.07021	1.1
131.08566	4.8
133.08612	2.2
133.10104	10.1
135.08055	2.1
135.11671	13.4
137.09641	9.2
137.13234	23.9
143.08566	2.4
145.10120	7.0
147.11673	11.6
149.09631	5.1
149.13243	7.3
151.07497	7.6
151.14807	2.2
157.10162	3.6
159.11652	6.4
161.09523	1.9
161.13232	6.1
163.11176	1.7
163.14810	2.5
165.09099	100.0
166.09404	2.6
171.11630	4.0
172.12459	1.3
173.09599	3.3
173.13266	4.0
175.07443	1.6
175.11206	2.2
175.14810	6.0
177.09119	6.4
177.16351	1.6
179.10660	3.3
179.17957	5.1
180.92424	1.3
185.13268	3.1
187.11212	1.5
187.14867	5.7
188.08379	2.2
189.09126	4.2
189.12682	1.8
189.16402	3.8
190.09947	1.4
191.10655	8.3
191.17882	2.1
199.14832	3.7
201.16434	6.7
203.10640	7.0
203.17957	9.8
205.12234	14.3
213.16389	3.9
215.18011	4.7
216.11453	2.0
217.12276	3.8
219.13757	2.1
221.11751	1.9
229.12260	1.5
231.13788	6.1
233.11617	1.3
240.15349	1.5
241.19420	3.3
243.13789	1.9
243.21129	4.5
245.15291	2.3
255.21080	3.4
257.15308	1.8
257.22650	2.5
259.16956	5.4
269.22571	3.2
271.16833	1.8
297.18631	1.7
378.33493	1.4
393.35175	11.1
421.30887	4.5
439.31326	13.4
440.15009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81427	0.6
51.15219	0.7
53.03948	1.1
55.05503	6.0
57.07071	10.5
67.05495	20.6
69.07058	16.6
70.02430	0.7
70.48963	2.7
71.08607	3.4
79.05478	9.0
81.07046	76.4
82.07401	1.5
83.08613	8.4
85.10175	1.7
89.06021	4.7
90.06360	0.8
91.05459	4.1
93.07039	11.3
95.04936	1.0
95.08594	100.0
95.16505	0.7
96.08935	1.5
97.10134	4.4
105.07023	10.1
107.08580	13.1
109.06487	1.0
109.10141	41.8
111.08070	0.8
111.11730	1.8
115.05430	0.8
117.06960	1.7
119.08562	11.0
121.10126	11.2
123.08022	0.9
123.11691	35.0
125.13210	1.2
129.07008	1.4
131.08560	6.5
133.08611	3.0
133.10121	6.2
135.11676	9.0
137.05965	0.7
137.09602	1.3
137.13232	57.6
138.13625	1.1
143.08545	4.4
145.10114	9.9
147.11668	6.4
149.09595	1.1
149.13249	4.9
151.07526	1.9
151.14790	5.4
152.10156	0.9
157.10078	4.9
159.11670	5.1
161.13240	3.0
163.14835	3.1
165.09087	10.6
171.11661	6.9
173.09567	1.5
173.13229	7.2
175.14822	5.0
177.09001	1.4
177.16389	2.3
179.10684	1.2
179.17892	12.5
185.13234	4.6
187.14793	5.9
189.16374	3.2
191.10559	1.1
191.17950	2.0
193.19545	1.4
197.13210	0.9
199.14809	6.0
201.16376	7.0
202.15134	0.7
203.10683	1.8
203.18001	3.3
205.12250	2.3
205.19510	2.3
213.16359	10.4
215.17944	8.2
217.12250	1.2
217.19534	1.2
219.13737	1.6
219.21143	0.7
227.17998	1.9
229.19508	1.4
231.13840	2.3
233.15453	1.4
239.14873	2.0
240.15286	2.2
241.19444	7.6
243.20999	7.6
245.15350	2.5
247.16818	0.8
249.11269	1.1
255.21051	4.8
257.22672	1.4
259.16879	10.3
261.18552	2.3
269.22653	5.4
287.20053	3.0
289.21701	1.4
301.21664	1.9
315.23062	2.0
393.35092	19.7
394.35510	1.9
422.35510	2.7
423.35233	0.7
439.26056	1.3
439.35947	16.3
440.15234	0.8
440.36194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.2
57.07052	7.2
62.92838	2.6
65.58883	2.2
66.57951	2.2
66.97338	2.1
67.05479	14.4
69.07064	28.9
69.23911	2.2
69.60300	2.5
70.86201	6.1
70.86595	4.8
79.05479	15.6
81.07049	100.0
83.08597	7.1
89.06014	8.7
91.05443	5.5
93.07038	35.9
95.08025	3.2
95.08599	48.0
97.10141	4.6
98.20744	2.9
105.07017	11.9
107.08584	31.8
109.10140	36.2
111.11707	3.2
119.08540	12.3
121.06473	3.2
121.10117	37.7
123.08083	4.0
123.11683	21.8
133.08597	4.1
133.10132	9.1
135.08055	3.1
135.11697	15.6
137.13231	14.6
145.10088	4.2
147.11684	9.0
149.05959	5.2
149.13254	21.6
159.11653	4.5
161.13214	7.2
161.16348	2.3
163.14790	11.0
165.05473	10.8
165.09125	7.8
167.07013	21.9
171.11659	2.8
175.11119	4.7
177.09225	3.1
177.16354	4.1
189.16411	7.2
191.17990	3.7
202.74248	2.4
203.10580	3.4
203.17909	6.2
205.19499	4.0
217.19473	4.0
221.11772	12.8
229.12201	3.3
239.14943	6.2
245.15387	2.6
262.89392	2.8
271.16833	3.6
273.25760	5.2
285.18268	3.1
289.17941	9.6
318.70276	2.6
323.94077	2.7
355.22702	4.2
374.45364	2.7
392.95779	3.9
403.30441	2.4
411.32666	5.9
421.31021	5.7
439.32065	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	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01858	3.8
55.05503	14.0
57.03428	8.0
57.07068	1.8
59.04993	5.2
61.02913	0.9
65.03930	3.1
67.05494	100.0
67.21139	0.7
69.03417	4.5
69.07053	6.4
70.16114	3.6
71.04976	5.7
73.02870	0.8
79.05482	16.5
81.03407	30.0
81.07043	28.1
82.07391	0.8
83.04972	9.1
83.08604	16.1
85.02384	1.1
85.02893	17.4
85.06543	3.4
86.60289	0.8
91.05460	25.0
93.07030	14.1
95.04954	15.6
95.08589	14.0
95.09192	0.9
97.02893	2.3
97.06525	4.1
97.10157	1.9
98.20715	0.7
105.07010	22.9
107.04968	3.4
107.08571	9.9
109.06530	3.7
109.10139	63.8
110.10495	0.9
111.04468	1.5
111.08054	7.5
113.06012	1.6
115.05450	0.9
117.07006	3.8
119.08563	16.8
119.09390	1.1
121.06536	1.0
121.10120	7.8
123.04436	1.1
123.08077	2.0
123.11690	2.0
125.05976	0.8
125.09644	2.2
129.05463	1.0
129.06985	5.4
130.07832	1.0
131.08551	9.9
133.06505	2.2
133.10103	7.9
135.08055	1.1
135.11716	1.7
137.09624	4.4
142.07761	1.4
143.08598	1.4
143.27019	0.8
145.10097	7.3
147.08069	3.4
147.11649	10.9
149.09543	4.5
151.07533	1.2
155.08572	0.9
155.10603	3.6
157.10100	7.8
159.11600	0.9
161.09679	2.1
162.06679	1.0
165.12820	1.8
169.08636	1.2
169.10083	1.0
171.11717	2.2
172.03218	0.7
173.09612	6.6
173.11725	18.6
175.11142	13.5
181.10167	1.3
187.11320	0.8
191.03412	1.3
191.10663	3.9
193.12219	28.8
193.13968	1.6
194.12570	1.2
208.09602	0.8
211.13249	36.2
213.12833	1.2
223.83823	0.7
227.17963	0.9
229.14272	4.1
237.09209	0.9
237.16396	1.1
239.10698	0.8
245.19110	0.9
247.13510	0.7
249.14926	1.5
255.17474	1.3
267.15805	5.3
269.12265	1.8
270.12573	1.9
271.12296	1.3
271.20633	2.5
273.18423	5.7
285.10049	1.3
285.17108	1.6
289.09647	0.7
315.19534	2.1
319.16473	1.1
329.21109	2.2
333.20593	3.7
347.22342	2.1
359.18515	1.0
361.20355	1.8
365.17618	1.1
365.23157	0.9
421.24628	4.6
439.27008	95.0
440.27325	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	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
53.75048	0.7
55.01862	1.9
55.05502	14.4
57.03424	7.2
57.07063	1.7
57.91073	0.7
59.04989	6.1
64.11167	0.7
65.03934	2.6
65.69831	0.7
66.64259	0.8
67.05494	100.0
68.05819	1.4
69.03408	2.8
69.07066	7.7
69.60289	7.8
71.04978	7.3
79.05479	14.9
81.03408	30.1
81.07043	30.0
83.04963	6.2
83.08606	16.3
85.02893	16.6
85.06529	3.5
91.04934	1.6
91.05466	21.5
93.07023	11.0
95.04958	15.5
95.08589	9.5
97.02869	1.9
97.06512	2.2
97.10148	2.7
105.07015	13.1
107.04928	2.3
107.08598	5.5
109.06506	2.7
109.10138	66.1
110.10480	0.9
111.04426	1.3
111.08074	8.3
113.05997	3.1
115.05418	1.0
117.07049	1.0
119.08577	14.2
121.06507	1.5
121.10111	6.6
123.08071	1.7
123.11719	1.6
125.09610	1.6
127.11176	1.1
129.06975	5.6
131.08553	7.0
133.06477	1.5
133.10098	4.8
135.08057	0.9
135.11700	0.9
137.09589	3.8
142.07739	1.6
147.08029	2.0
147.11658	8.1
149.09592	3.0
155.10652	3.3
157.10130	7.9
165.12775	2.6
168.33173	0.7
173.11703	18.5
175.11160	8.7
191.03394	1.8
193.12219	33.0
211.11234	1.9
211.13277	39.7
229.12358	0.9
229.14307	4.2
244.14337	0.9
267.15814	5.1
421.25757	2.6
439.26874	97.0
440.26770	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	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01866	1.6
55.05508	13.6
57.03428	7.4
57.07069	11.9
59.04995	5.0
65.03934	3.3
67.05495	100.0
69.03419	2.5
69.07056	6.5
69.81973	6.6
71.04980	5.2
76.86835	0.9
77.55556	1.0
79.05481	14.6
81.03406	28.9
81.07046	26.0
81.07524	1.1
82.07425	1.2
83.04971	6.5
83.08605	16.1
85.02892	15.7
85.06535	6.3
91.05472	22.2
93.07032	16.2
95.04958	16.5
95.08589	24.8
97.02895	2.0
97.06524	2.4
97.10159	3.0
99.04459	0.9
102.10530	0.9
105.07011	14.0
107.04959	3.2
107.08599	7.4
109.06525	3.1
109.10143	65.4
111.04448	1.0
111.08064	7.3
113.06056	1.5
116.06194	1.0
117.07024	1.7
119.08566	16.4
121.06531	1.4
121.10124	6.3
123.04421	2.0
123.08051	15.9
123.08871	1.4
123.11689	1.1
125.02340	0.9
125.06033	1.0
125.09595	1.1
128.06187	1.1
129.06985	6.2
131.08543	6.2
133.06512	2.0
133.10085	6.6
135.11661	1.3
137.09584	4.5
139.03874	0.8
141.58368	1.0
142.07764	1.4
145.10127	3.9
147.04436	1.0
147.08018	1.8
147.11661	8.7
149.09634	4.4
153.70512	0.9
155.10669	2.5
157.10094	7.3
159.11739	1.5
161.09653	1.4
165.09116	1.2
165.12753	1.3
167.03372	4.3
171.08011	4.5
171.11765	0.9
173.09579	4.9
173.11716	16.0
173.13089	1.4
175.11136	9.0
185.13193	1.0
187.11232	1.3
190.78217	0.8
193.12219	25.8
201.09326	1.0
205.08565	1.2
207.11861	1.4
211.11237	2.1
211.13258	37.1
213.12930	0.9
215.10670	2.3
229.14259	5.0
249.09412	3.0
251.09164	4.0
267.15958	3.8
299.16357	1.4
319.17010	1.6
337.17917	1.6
347.18372	5.6
355.18909	2.5
371.20230	2.2
383.43042	1.0
421.25464	3.9
439.26904	80.6
440.27249	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	439.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.4
55.01869	1.6
55.05502	13.5
57.03434	9.0
57.07065	2.5
59.04992	5.1
65.03922	2.7
67.05498	100.0
68.05812	1.1
68.94685	1.0
69.03400	2.9
69.07069	5.1
71.04999	5.2
79.05491	13.0
81.02947	1.8
81.03408	31.4
81.07047	24.2
82.14056	1.0
83.04955	6.1
83.08610	18.5
85.02898	18.6
85.06523	3.3
91.05470	20.4
93.07037	12.0
95.04958	15.0
95.08585	9.8
96.16235	1.1
97.02872	1.7
97.06499	2.5
97.10136	2.4
102.16933	1.0
105.07021	12.0
107.04945	3.4
107.08612	5.5
109.06480	2.8
109.10146	66.6
111.04450	1.5
111.08067	9.3
113.05943	2.1
119.08566	17.2
121.10136	5.7
123.11702	2.1
129.06984	4.2
131.08559	6.5
133.06480	2.7
133.10129	6.7
137.09602	5.0
142.07787	1.3
145.10072	1.1
147.08043	1.3
147.11674	8.0
149.09615	3.8
155.10658	2.9
156.10123	1.1
157.10101	8.2
165.12646	1.7
173.11731	18.6
175.11172	6.7
176.68010	1.0
193.12231	33.4
200.43233	1.0
211.11247	1.8
211.13261	36.8
229.14343	4.6
267.15997	4.7
396.07593	1.1
421.25772	2.9
439.26877	97.7
440.26907	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	439.1423
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
71.71626	0.5
84.04477	0.5
87.95104	0.2
96.92215	96.5
98.97525	0.3
102.96877	0.2
112.89597	2.8
114.89346	1.1
115.03732	0.3
119.01865	0.5
120.00691	0.3
122.01398	0.3
130.04996	0.5
131.01906	0.8
131.13191	0.3
131.51941	0.5
132.01842	0.6
133.03465	1.0
137.01903	1.1
138.01860	0.3
143.01883	1.0
143.51968	0.3
144.01839	0.5
145.03384	0.3
149.01932	0.4
151.04535	0.6
152.02412	0.6
155.01822	0.3
156.93234	0.8
157.86195	0.3
161.02965	0.4
165.03676	0.3
173.02983	0.7
173.52989	0.3
174.94157	2.3
175.04495	0.7
180.97455	7.6
181.97527	0.4
185.02679	0.5
185.04187	6.3
185.05687	0.5
186.94211	0.6
187.04465	0.3
188.03447	0.3
192.95674	0.4
192.97429	2.4
198.98380	0.8
203.05286	13.9
203.54109	0.7
204.03908	0.8
204.95203	1.0
207.01387	0.7
209.01439	0.3
210.98463	1.3
212.85095	0.4
216.95169	3.5
217.05595	0.4
222.98586	1.5
224.04541	0.4
228.95471	0.4
234.96169	1.4
240.99530	2.5
241.97328	0.3
245.05055	0.6
246.96346	0.7
258.95847	1.6
276.31165	0.3
276.97266	4.5
277.08917	26.4
277.97452	0.3
283.00305	1.6
283.03174	0.4
284.06683	0.3
295.00354	0.8
295.08606	0.7
318.52045	0.3
318.98444	1.0
365.10504	53.1
366.10794	2.9
381.07877	20.8
382.08258	1.1
403.05093	0.5
421.00156	0.4
439.14175	100.0
440.14545	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	438.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53669	0.6
53.03944	1.5
55.01858	1.6
55.05504	1.4
57.03424	1.1
57.07075	0.7
59.04993	0.9
61.02914	1.6
67.05494	1.0
67.19647	0.6
69.03420	7.9
69.07062	3.8
69.78381	2.6
69.78813	1.4
71.04980	1.0
71.08621	45.1
72.08954	0.7
73.02914	2.3
81.03415	6.6
81.07042	0.8
81.82753	0.5
84.86705	0.5
85.02402	1.0
85.02895	16.5
87.00820	8.2
91.03947	0.7
95.08612	1.1
95.55663	0.5
97.02881	8.8
98.21436	1.0
99.04452	3.5
99.08080	100.0
100.08414	1.3
105.01852	7.6
109.02862	4.4
109.10117	0.8
115.03943	0.5
115.12926	0.5
117.01863	1.2
123.93468	0.5
127.03907	10.7
129.12740	10.6
137.05946	1.5
145.04973	4.4
155.14301	2.9
159.02875	3.8
173.15355	73.2
174.15742	2.4
179.76715	0.4
180.20660	0.5
213.03833	0.7
230.38754	0.5
231.04958	1.8
241.17952	0.7
273.76324	0.5
421.09012	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1018
Annotation	5'-Demethoxycadensin G
Peak:m/z	Relative Intensity
53.07072	0.3
55.01855	0.6
55.05476	1.2
56.08936	0.3
57.03400	0.6
57.07053	0.6
59.04967	0.5
65.03905	0.5
67.05493	7.1
68.99438	0.3
68.99789	0.6
69.07056	0.6
70.39152	0.9
70.39542	0.7
71.04958	0.5
73.69613	0.3
79.05486	1.6
81.03409	1.9
81.07036	2.8
83.04957	0.4
83.08589	0.8
85.02888	0.8
85.06520	0.4
85.89196	0.3
86.52727	0.3
91.05467	4.5
92.05762	0.3
93.07008	1.2
95.04939	1.4
95.08577	0.9
95.21645	0.3
97.06506	0.5
98.21337	0.4
103.05434	0.6
105.07020	2.3
107.04940	0.6
107.08533	0.7
109.06438	0.4
109.10147	4.2
110.10452	0.5
111.08026	0.4
115.05453	0.4
118.04118	0.8
118.85432	0.4
119.04939	2.6
119.08557	1.3
121.02840	0.4
123.04356	0.8
124.05238	0.4
127.07496	0.4
131.04863	1.4
131.08517	0.4
133.02866	0.5
133.06474	0.7
133.10071	0.7
135.04378	0.5
135.11635	0.6
136.05127	0.7
137.05928	2.0
145.09952	0.4
146.03606	8.1
147.00754	0.5
147.04375	3.8
147.11662	0.7
148.05119	1.0
149.02278	0.4
149.05923	0.8
149.09534	0.3
150.06711	0.8
152.94771	0.3
153.50430	0.3
157.10092	0.4
161.04706	0.6
161.05946	6.2
162.06664	1.9
163.03859	1.1
163.07611	0.6
173.11681	0.7
174.76506	0.3
177.05432	0.7
179.06992	0.5
187.03868	1.4
191.03384	0.9
193.04944	1.3
193.12212	1.6
203.03397	2.9
204.04092	1.2
211.13287	1.9
215.03404	2.0
216.04126	4.0
219.02919	0.5
227.03407	0.5
229.04800	0.5
231.02850	100.0
232.03429	5.2
237.07448	0.5
243.02908	1.1
244.03624	1.5
245.04410	1.1
257.04437	1.4
259.02344	32.1
260.03116	20.3
260.05313	0.3
261.03897	20.2
262.04108	0.5
266.96204	0.3
271.02310	1.0
281.04050	0.4
297.03784	0.4
315.04868	1.6
336.70728	0.4
354.66168	0.4
389.06787	0.8
406.07001	0.6
409.09094	5.0
421.09134	30.0
422.09464	1.8
438.28381	0.4
439.10187	71.3
439.26410	5.9
440.10461	3.0
458.18280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2527
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
53.03936	2.1
55.01862	5.6
55.05501	19.8
56.96548	1.4
57.03434	4.8
57.07069	2.4
59.04996	6.1
61.02901	1.1
65.03929	2.6
67.05493	100.0
68.05831	1.0
69.03420	1.5
69.07045	5.2
70.06613	0.6
70.46030	1.5
70.46391	1.2
71.01338	0.8
71.04981	7.0
72.25077	0.6
73.02916	1.0
77.03886	0.7
79.05481	17.1
81.03400	9.1
81.07042	31.0
83.01330	4.2
83.04967	9.0
83.08607	13.7
85.02888	4.3
85.06519	3.0
88.07612	0.9
91.03937	0.6
91.05466	18.1
93.07026	20.1
93.07594	1.2
94.07359	0.7
95.04959	7.5
95.08595	12.4
97.02888	2.3
97.06523	3.3
97.10156	2.4
99.04444	1.6
99.08109	0.9
102.09181	0.7
103.05433	0.8
105.07010	9.4
107.04937	6.5
107.08567	12.8
107.09241	0.8
109.06503	5.8
109.10138	72.9
110.10497	1.7
111.04440	2.4
111.08044	5.3
115.05404	0.9
117.07004	6.3
119.08552	12.3
121.06490	2.6
121.10116	6.3
123.08071	5.2
123.11746	0.7
125.05983	1.6
125.09599	2.8
129.07004	2.3
130.07718	1.0
131.04924	0.9
131.08517	3.2
133.10120	3.1
135.08044	2.1
135.11678	9.8
137.05917	0.7
137.09592	5.5
143.08521	0.6
145.06480	0.9
145.10097	10.6
147.08032	1.2
147.11687	1.1
149.02318	2.0
149.06020	0.6
149.09621	0.9
153.09109	0.8
153.12723	3.3
155.08595	0.9
155.10614	4.5
157.10208	0.9
159.11807	0.7
161.09569	0.8
163.11160	20.9
163.12469	1.0
165.09134	0.8
173.09589	3.2
173.11710	24.2
174.12047	0.6
181.12242	3.1
185.13298	0.7
189.11221	1.7
191.10609	4.0
193.04967	2.1
193.12196	1.4
209.11725	8.3
227.12755	6.9
228.23172	1.6
229.14252	0.9
237.07605	2.5
265.14355	1.0
281.10660	0.7
285.10138	1.2
313.18127	0.6
324.61649	1.4
325.11456	0.9
350.27316	0.6
385.20047	2.0
436.68533	1.6
437.25259	76.4
437.69522	0.8
438.26221	2.9
438.28210	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	437.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02404	0.8
53.03935	0.6
56.96556	18.3
57.03405	1.2
60.05647	0.8
65.03931	1.9
69.03400	2.4
70.17703	2.5
71.04974	0.9
73.02911	1.3
75.38398	0.7
79.05458	1.3
81.03376	1.3
84.08140	0.8
84.96001	2.5
85.02891	6.6
89.03894	9.2
90.04214	0.9
91.05450	11.8
91.54221	0.7
95.04948	1.6
97.02864	3.4
98.97556	8.7
101.00882	3.8
107.04927	4.1
109.02843	0.9
110.97559	1.1
111.04420	0.7
113.00906	0.8
115.02396	0.7
116.98614	6.7
117.03348	10.6
117.04106	1.1
119.01898	13.6
119.04919	28.2
121.02856	1.3
124.99084	1.5
127.00612	0.7
127.03870	1.8
128.98586	2.4
131.00134	1.7
131.01878	5.6
131.05499	2.2
133.03453	1.8
134.99617	2.7
135.04393	19.6
136.04662	1.2
137.02965	3.7
143.00165	8.0
143.01868	25.5
144.02007	0.8
145.01633	0.6
145.02705	15.1
145.04567	1.1
146.03107	1.0
146.99606	2.8
147.04378	83.8
148.04727	3.3
149.01201	3.0
149.02937	1.0
149.06589	3.3
150.05423	1.0
151.03864	1.4
152.98669	0.7
155.01884	8.7
155.03081	1.1
156.02661	1.2
157.01636	0.9
157.03430	1.5
158.99635	2.5
159.03258	1.5
159.05049	2.4
161.01208	10.7
161.02928	36.2
162.01598	0.7
163.03873	100.0
164.04193	7.5
169.01649	1.1
169.03430	1.4
170.99661	2.0
171.05005	1.7
173.01401	1.0
173.02956	9.6
173.06590	11.2
175.04454	1.1
177.00687	2.7
177.06027	1.5
179.02248	1.4
179.03755	0.8
181.28008	0.7
181.99406	1.0
184.04529	2.0
185.01157	4.1
185.02887	1.9
185.04976	0.8
185.06544	11.1
186.99162	1.7
187.02719	2.4
187.04492	4.3
187.08118	2.5
189.00662	4.6
189.06096	0.8
191.00655	0.8
191.02188	4.6
191.07591	3.1
195.03313	1.6
197.06532	1.2
199.08037	1.1
201.00664	1.7
201.06042	1.5
203.00301	1.1
203.02107	2.7
203.03978	4.7
203.07605	7.1
205.00177	1.8
205.03741	1.0
206.12871	1.0
209.03212	1.9
211.02766	2.2
213.00734	1.8
213.04295	3.1
215.02162	1.2
215.07607	5.3
219.01770	5.2
221.01154	2.2
221.02930	22.7
221.05058	10.9
222.03180	1.9
222.05214	0.8
223.02884	1.0
227.07552	1.3
229.05544	1.3
231.01718	2.1
231.05312	1.3
233.03256	1.9
233.08659	1.8
237.02779	6.5
239.02049	12.2
239.04076	2.7
240.02522	1.1
243.01814	1.2
244.04630	1.2
245.03183	1.1
249.02757	2.6
253.04004	1.0
257.03152	10.6
257.08688	4.0
260.03152	0.9
261.02869	1.0
263.02063	1.2
266.05338	1.2
267.03885	1.3
271.04544	6.8
272.04501	1.1
273.02869	0.9
273.06021	1.5
275.05634	7.2
275.09698	18.1
276.05771	0.8
276.10040	0.8
285.05048	1.0
287.03741	0.9
289.05881	4.7
291.03882	1.4
293.10751	60.6
294.10989	2.6
299.03998	2.2
303.04031	0.8
307.04874	1.2
309.04837	2.0
309.08380	1.1
313.05429	1.7
315.01599	0.9
316.12350	2.9
317.05182	2.1
331.06390	2.4
333.02798	3.3
333.13913	2.2
335.06210	0.8
335.07651	1.0
335.11856	15.9
336.11969	1.5
348.07767	1.6
349.07346	1.2
351.03561	0.9
359.04965	1.5
363.06155	0.9
373.08197	0.9
375.15076	1.2
377.07281	23.4
377.12735	3.9
378.07068	2.2
395.06775	9.2
413.07501	19.6
414.07773	2.8
418.09628	2.0
419.08051	2.4
437.08621	10.4
437.15015	12.3
438.09583	1.1
438.15079	0.9
449.12970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1437
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
53.03924	2.4
54.61929	1.1
55.01865	3.7
57.03423	9.6
65.03931	1.2
67.05486	3.4
68.99772	4.0
69.03415	11.5
69.85866	3.7
69.86282	4.2
71.01364	1.3
71.04984	60.4
72.08132	2.0
72.19198	1.1
75.04450	3.4
76.39788	1.2
78.16531	1.0
81.03400	2.5
83.04960	2.2
85.02895	79.8
87.04455	2.7
91.05428	1.6
93.03400	2.5
95.04942	3.5
97.02882	10.7
98.20780	1.7
105.03346	1.8
105.06969	1.7
107.04959	3.7
111.04426	5.0
115.03913	7.8
115.42569	1.3
119.04942	5.1
120.08046	1.2
121.02846	9.0
121.06480	1.7
123.04417	80.0
127.03909	8.8
129.05476	15.6
133.06509	1.7
135.04391	6.4
137.02322	18.0
137.05923	3.2
139.03888	100.0
147.04401	21.4
147.06474	2.7
149.05960	2.7
151.03903	8.1
153.01804	15.1
157.04948	3.3
159.04379	1.9
161.05952	4.0
163.03888	25.3
165.01805	4.6
165.05444	15.9
167.03261	1.2
175.03889	3.0
175.05981	5.8
177.01828	4.3
177.05467	4.6
179.06937	2.2
181.04984	10.1
183.02896	2.9
189.01830	2.4
189.05490	5.9
191.03345	2.9
193.04916	2.5
195.02898	3.4
203.03401	5.4
203.07047	2.7
205.04929	10.7
207.02911	2.5
207.06474	3.8
212.09064	1.4
213.05421	1.3
215.03368	3.6
217.04829	1.2
219.02814	2.0
231.02951	9.6
231.06488	7.5
232.03206	1.2
249.03981	3.2
249.07550	11.1
253.04971	1.5
257.04248	2.0
257.13837	1.3
260.03146	2.8
263.05499	11.1
264.26105	1.1
267.08646	7.2
273.04013	3.0
273.07553	4.6
275.05487	19.8
276.05737	1.6
281.04456	1.5
285.09772	11.0
287.05536	12.2
291.08582	32.9
299.05664	1.5
315.08578	4.6
323.05292	1.2
329.06430	2.9
333.09479	1.5
341.06525	29.0
342.06970	1.7
357.09714	2.3
359.07492	5.6
383.11084	3.4
401.08060	2.2
429.75580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1074
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01869	44.6
57.03426	12.7
61.02917	10.6
61.03179	1.8
68.99775	5.6
69.03420	28.9
70.99310	2.9
70.99684	3.6
71.01321	2.1
73.02915	5.7
76.10146	1.6
81.03374	2.0
85.02891	21.6
87.04456	5.3
93.07045	2.4
97.02884	37.2
107.08548	2.0
109.09257	1.7
111.24821	1.8
115.03919	100.0
116.04259	1.8
121.02856	4.0
123.04407	2.7
124.25246	1.6
127.03912	7.8
137.02344	24.1
147.04372	4.9
151.03899	7.3
153.01816	68.2
155.07057	1.7
157.04951	7.7
163.03857	6.6
165.01817	5.0
167.03500	1.9
170.54616	1.7
175.03868	7.4
175.06013	58.0
177.01872	5.5
177.05367	7.9
179.03358	8.1
187.03873	2.3
189.05353	3.7
191.03380	7.0
195.02802	3.9
203.03368	23.0
205.04942	3.1
209.04420	2.0
213.05443	2.0
215.03345	3.3
229.04900	2.0
231.02812	7.4
233.04463	10.7
245.04486	5.3
257.04434	3.6
260.03067	4.3
263.05524	37.0
264.05627	2.5
275.05505	21.7
287.05457	17.1
299.05310	3.6
305.06509	8.4
313.07187	4.5
323.05295	1.9
329.06564	3.0
341.02518	3.4
341.06528	40.6
342.06961	2.1
359.07678	3.5
437.10611	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	437.1073
Annotation	Tricornoside E
Peak:m/z	Relative Intensity
55.01860	1.0
57.03416	1.1
61.02906	0.9
65.03934	0.9
67.01854	0.5
68.99761	2.2
69.03417	8.3
70.59004	2.3
73.02925	0.5
81.03419	1.3
85.02876	1.4
91.05461	1.7
93.03390	0.7
97.02876	12.3
107.04924	0.8
109.02843	0.8
111.04416	0.5
115.03920	6.5
119.04929	1.2
121.02853	9.6
123.04398	0.8
127.03889	4.2
127.31177	0.6
135.04411	0.9
137.01309	1.0
137.02322	15.9
139.03891	1.1
141.01747	0.8
147.04364	1.8
149.02267	0.8
153.01799	19.5
157.04909	1.1
159.04407	0.6
163.03891	3.2
165.01811	6.1
167.03403	1.1
175.03877	3.0
175.06038	1.4
177.01826	1.6
177.05466	1.7
179.03311	1.6
181.01234	0.8
183.02896	4.2
189.01849	3.6
191.03354	4.3
193.04965	0.6
201.05432	0.7
202.02557	0.7
203.03313	6.8
204.03854	0.6
205.01352	0.9
207.02838	1.8
215.03317	4.7
219.02899	1.9
221.04404	1.5
229.05032	1.2
230.43069	0.6
231.02850	16.7
232.03583	1.5
243.06648	0.6
247.46373	0.5
249.03886	7.0
251.05484	1.8
253.04973	1.5
257.04431	2.3
260.03134	31.4
261.03500	1.6
263.05444	13.2
263.08243	0.7
264.05734	0.6
273.03903	5.3
275.05460	100.0
276.05905	3.7
281.04285	2.9
287.05453	0.8
299.05435	3.0
313.06992	2.0
322.15668	0.6
323.05283	1.2
329.06631	4.5
341.06519	40.9
342.06802	2.4
359.07584	8.5
360.07855	0.7
401.08640	4.1
419.09799	1.1
437.10760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.8
68.99794	4.3
69.03423	32.1
70.30298	4.0
70.30725	7.4
71.04597	1.5
81.03391	3.1
85.02881	2.1
86.75350	1.7
87.40480	2.1
97.02877	41.5
97.43067	1.7
107.04964	2.3
115.03915	32.0
121.02861	15.2
127.03911	10.7
133.11484	1.6
135.04395	3.6
137.02335	43.2
139.03897	2.5
147.04420	2.8
148.30022	1.7
151.03874	1.8
153.01805	100.0
161.02328	2.0
163.04005	4.4
165.01810	20.9
175.03815	8.9
175.06082	2.9
179.03381	2.9
183.02885	6.6
187.03966	2.5
189.01819	7.8
191.03403	4.9
201.05399	2.0
203.03340	14.4
205.04869	3.3
207.02837	4.8
215.03395	9.1
221.04445	2.0
231.02890	32.9
233.04472	4.5
239.03192	2.1
249.03877	10.8
251.05368	2.0
253.05026	5.0
257.04401	5.2
260.03192	2.7
263.05484	75.4
264.05853	3.1
273.03943	10.5
275.05484	36.1
281.04446	5.7
297.04083	2.2
299.05609	5.9
313.06918	3.2
329.06500	5.2
341.06522	83.8
342.06766	3.0
359.07693	13.9
385.47534	2.0
401.08725	10.1
403.03989	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	437.1073
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01859	5.9
55.77508	2.0
57.03409	5.9
68.99780	3.9
69.03422	32.4
69.67708	16.7
69.68114	3.8
81.03404	2.1
85.02895	11.1
87.04441	4.2
93.08361	2.1
97.02885	54.9
111.04436	2.1
115.03922	37.1
116.19202	1.9
121.02850	11.2
123.04406	2.7
127.03890	12.2
135.04401	2.9
137.02316	44.5
141.01724	2.2
147.04335	2.6
151.03889	2.5
153.01801	100.0
154.02074	2.5
157.04938	12.8
162.59866	2.0
163.03868	7.8
165.01846	16.8
167.03348	2.8
175.03920	9.0
175.05994	14.8
176.04277	1.9
177.01819	6.1
177.05437	5.4
179.03337	4.0
181.01244	2.4
183.02858	6.2
187.03912	3.9
189.01875	3.9
191.03352	8.4
195.02824	4.7
198.98927	1.9
203.03387	21.3
205.05043	2.8
207.02904	4.5
215.03329	8.7
219.02953	2.8
221.04575	3.5
229.05048	2.2
231.02858	25.8
233.04424	7.4
245.04549	3.8
249.03911	11.3
257.04321	4.7
263.05475	79.8
264.06015	3.7
273.03860	5.6
275.05460	25.6
281.04449	3.2
287.05511	10.8
299.05453	4.9
305.06461	6.2
313.07007	4.4
317.06332	2.0
323.05472	3.6
329.06451	7.0
341.06522	94.5
342.07019	3.2
359.07571	13.9
376.12897	2.5
399.36163	2.1
401.08563	6.6
437.10983	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	437.1069
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.01852	2.1
55.05504	6.1
56.05812	2.2
65.03928	0.8
68.99735	1.0
69.03378	2.8
69.07035	1.3
69.32492	0.8
69.88676	2.8
69.89098	2.1
70.03771	0.7
70.06561	1.1
70.63561	0.7
79.01846	1.4
79.05460	1.2
81.03384	2.1
81.07026	1.2
82.06541	2.9
83.04945	0.7
83.06894	0.9
83.08623	6.3
84.05322	0.7
84.08128	0.9
84.08910	1.7
85.02867	2.9
91.05454	1.3
95.04922	1.0
97.02842	3.0
98.20757	0.9
100.07594	1.3
100.10644	1.1
100.11243	17.3
101.11568	6.6
103.66144	0.8
105.69325	0.7
107.04896	1.0
109.02847	1.1
110.06010	0.9
110.81329	0.7
111.04385	2.4
112.04709	1.0
121.02818	3.0
123.04359	2.6
125.06032	0.7
127.03879	2.7
127.08643	1.1
128.07053	1.6
137.02318	6.1
137.05858	0.7
139.08557	0.8
139.50821	0.7
140.08975	1.3
147.04353	2.5
149.02319	1.2
151.03868	3.6
153.01817	8.6
153.12660	0.7
163.03870	1.7
165.01784	2.7
165.05496	1.0
167.03317	2.3
167.07019	1.7
171.02840	1.1
171.06442	0.9
175.03874	2.0
177.01685	0.8
177.05415	2.2
181.04913	3.3
182.15378	7.5
183.02812	1.7
183.15746	5.7
184.16010	1.4
187.03917	1.2
189.05423	1.4
191.03317	2.3
192.13887	0.8
195.02913	1.3
201.05432	1.4
203.03339	3.0
204.04146	0.8
207.02774	1.2
209.08061	1.9
209.16467	4.4
210.14845	6.0
210.16805	6.3
211.15192	7.5
211.17026	1.4
212.15480	1.1
213.05533	1.4
215.03381	1.3
217.04919	2.9
219.02916	0.8
219.06509	1.3
221.04417	0.8
226.19130	3.7
227.03282	1.1
227.19507	4.7
228.04051	1.6
228.19754	1.0
229.04855	1.8
231.02902	4.1
231.06459	2.8
233.04497	1.1
237.25604	0.8
241.04900	1.7
242.05641	1.0
243.02917	1.4
243.06458	1.3
244.03653	1.6
245.04436	11.2
246.04919	1.2
247.05923	3.3
248.03197	1.0
249.03859	1.1
253.05014	0.9
256.03604	2.9
256.07196	0.9
257.04407	3.0
258.05273	1.8
259.05975	4.5
260.03174	1.4
260.06760	2.6
261.03833	3.5
263.05508	9.5
269.04532	4.2
270.05246	2.0
271.06009	3.7
272.03137	12.5
273.03912	12.8
274.04642	4.3
275.05450	9.9
281.04523	1.4
283.05960	2.1
284.03104	3.0
284.06760	2.8
285.07568	1.4
286.04755	3.5
287.05457	100.0
288.06168	23.1
289.06827	2.0
297.03928	3.1
298.04639	3.8
299.05484	18.6
300.06049	1.7
301.03769	1.5
301.07065	12.6
302.04208	13.0
302.07327	1.0
311.05493	3.4
312.06210	7.7
313.06873	7.3
314.04059	1.8
315.04907	3.1
316.05743	1.1
317.06522	93.1
318.06894	4.7
323.05573	1.2
326.04117	2.3
326.57001	0.8
327.04929	2.3
327.08554	18.5
329.06482	5.3
331.07886	1.3
336.22305	1.3
337.23196	5.9
338.23288	2.1
341.06519	39.9
347.07513	5.7
353.06512	2.1
355.08142	7.2
359.07452	3.5
365.06335	1.3
371.07590	19.1
383.07602	13.7
401.08636	32.1
402.08987	1.6
412.32831	0.9
418.32523	1.7
419.09708	49.0
420.10391	1.5
436.33536	20.4
437.10733	85.9
437.33838	15.3
438.11124	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	437.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22631	0.2
62.96755	0.3
68.08208	0.2
69.03379	0.6
71.04942	0.3
71.13138	0.5
85.02847	0.7
97.02843	1.0
115.03854	0.4
116.10702	0.3
117.06261	0.2
121.02826	0.6
123.04424	0.4
127.03852	0.5
137.02264	0.8
138.88397	0.2
139.03827	0.7
146.52315	0.3
147.04463	0.4
153.01791	1.2
163.03778	0.3
165.01797	0.5
175.05965	0.3
177.01744	0.4
183.02892	0.4
191.03342	0.3
195.02737	0.3
201.01167	0.2
203.03398	0.5
204.04155	0.3
229.04994	0.3
231.02798	0.4
232.03679	0.3
249.03864	0.5
257.04388	0.2
257.13031	0.3
260.03131	37.3
261.03436	1.1
263.05527	0.6
273.03970	0.3
275.05463	100.0
276.05804	4.3
287.05240	0.5
299.05267	0.3
303.12589	0.3
329.06439	0.3
341.06448	2.2
342.06830	0.2
359.07605	0.3
401.08572	0.3
437.10687	1.1
437.18884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	18.3
57.03418	1.2
63.47861	0.6
65.03925	1.5
66.44823	0.6
69.03405	2.9
69.03792	0.7
70.06578	0.6
70.98086	0.7
71.34753	1.6
71.35091	0.7
73.02877	0.7
79.05481	1.8
81.03387	0.9
84.96012	2.4
85.02903	5.8
86.09666	0.8
89.03912	9.5
91.05470	12.7
95.04952	1.9
97.02866	2.9
98.97578	8.9
101.00847	2.0
107.04916	2.4
109.02897	0.8
110.97547	1.4
111.04433	0.7
115.02447	0.8
116.98599	8.3
117.03368	10.7
119.01910	8.7
119.04936	21.2
121.02882	0.9
124.99104	1.5
127.03891	2.0
128.98575	1.6
131.00139	1.5
131.01849	4.1
133.03439	1.0
134.99644	6.0
135.04398	22.0
136.04668	0.9
136.06238	0.7
137.02945	2.4
139.03909	1.0
141.02194	1.0
143.00143	6.1
143.01871	10.5
145.01717	0.9
145.02734	13.5
145.05066	0.8
146.03154	0.9
146.99637	2.4
147.04388	85.0
148.04739	1.9
149.01195	1.8
149.02957	0.8
149.06569	2.1
152.98590	0.8
153.00751	1.1
155.01900	4.3
157.01747	0.9
157.03442	1.5
158.34178	0.7
158.99629	3.1
159.03279	1.9
159.04987	1.0
161.01216	9.7
161.02933	13.3
163.03885	100.0
164.04227	5.6
165.00763	1.0
167.02197	0.9
169.01709	1.4
169.03439	2.7
170.99687	2.2
171.05084	1.3
173.01187	2.0
173.02936	4.3
173.06537	4.6
174.99123	1.9
175.02753	1.1
175.04469	1.0
177.00720	4.1
177.05887	1.1
179.02269	1.6
182.99689	0.7
183.04863	0.8
184.02907	0.9
184.04510	1.2
185.01178	3.9
185.02971	1.9
185.06561	6.3
186.99146	2.3
187.02753	2.6
187.04517	4.5
187.08157	1.9
189.00687	5.8
189.04285	0.9
189.05984	1.1
190.98637	0.9
191.02280	4.4
191.07594	2.6
193.00136	2.9
193.03615	1.1
195.03311	1.2
195.05017	1.0
197.01247	0.9
197.02924	1.4
199.08183	0.8
201.00671	1.8
203.00323	0.9
203.02156	3.5
203.03979	2.1
203.07611	5.2
205.00117	1.8
205.05551	1.0
207.01740	0.7
209.01256	0.9
209.03043	0.8
211.02754	1.3
213.00691	1.5
213.04305	2.3
215.02211	1.9
215.07597	2.9
217.09190	1.1
218.98154	1.0
219.01682	4.6
219.71638	0.6
221.01184	2.2
221.02953	24.0
221.05052	5.5
222.03113	1.2
223.02795	1.1
223.04710	0.8
227.07581	1.8
229.03650	1.4
229.05666	1.2
231.01768	1.6
233.03340	1.9
233.08673	1.0
237.02734	5.2
239.02014	10.3
239.04112	4.0
244.04485	1.3
245.03035	1.4
245.05185	0.8
249.02678	1.4
251.00967	0.9
257.03140	8.1
257.05679	1.1
257.08704	1.1
259.04694	0.7
260.03165	0.8
261.02737	1.6
263.04135	2.3
267.03854	1.3
271.04556	7.8
273.02875	1.0
273.05927	1.2
275.05817	9.2
275.09766	7.7
279.03909	1.4
287.03894	1.3
289.05756	4.1
291.03870	2.4
293.05609	0.9
293.10785	21.8
299.03955	2.5
307.04486	1.4
309.04904	1.9
313.05396	1.1
315.01764	1.1
317.05341	1.0
319.12372	2.5
321.04892	1.1
331.06305	2.5
333.02823	2.3
333.13873	1.1
335.06293	0.7
335.08124	0.8
335.11868	7.1
349.07468	2.6
359.04834	2.5
375.14828	0.9
377.07236	23.7
377.12613	2.6
378.07108	1.0
395.06747	8.9
413.07526	17.2
414.08081	1.2
418.09332	2.3
419.07944	2.0
419.13654	1.1
426.30341	0.8
431.08096	0.7
437.08752	11.7
437.15195	4.9
455.09390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	17.3
65.03939	1.5
69.03423	2.1
70.38078	2.2
73.02925	0.8
73.58951	0.5
74.97610	1.0
77.49512	0.5
79.05481	0.8
83.04984	0.6
84.04485	0.7
84.08163	0.8
84.96025	2.3
85.02466	0.7
85.02898	3.8
89.03903	5.8
91.05465	13.8
95.04973	1.5
97.02888	1.9
98.97579	6.5
102.96970	0.6
105.03470	0.5
107.04962	2.0
110.97572	0.9
116.98601	6.3
117.03367	7.0
118.03763	0.6
119.01916	3.3
119.04930	30.2
120.05264	0.9
121.02863	0.7
123.04430	1.5
124.99146	1.9
127.03912	1.9
128.98624	1.8
130.08638	0.7
131.00140	0.8
131.01866	0.9
134.99651	5.1
135.04401	16.2
136.04868	0.7
137.03012	0.7
141.02243	0.7
143.00153	7.3
143.01904	1.8
145.01738	1.0
145.02768	10.6
145.04831	0.7
146.99629	2.5
147.04391	100.0
148.04759	2.5
149.01208	1.2
153.00652	0.6
155.01930	0.9
157.01778	1.3
157.03473	1.0
158.99622	2.7
159.03287	0.9
161.01213	11.7
161.02928	3.5
163.03889	73.6
164.04205	4.6
169.01707	1.2
169.03455	1.1
170.99683	2.3
171.05083	0.6
173.01286	1.1
173.02924	1.1
173.06604	1.2
175.02696	0.9
177.00726	4.3
179.02162	1.3
180.03198	0.5
185.01215	3.9
185.02747	0.8
185.06651	0.6
186.04308	0.7
186.99118	2.9
187.02760	2.6
187.04497	1.9
189.00705	5.0
191.02199	2.7
191.07637	0.8
195.03247	1.4
198.98788	0.5
201.00748	1.1
203.00325	0.8
203.02173	3.4
203.07658	0.7
205.00148	1.3
207.01758	0.6
209.01244	0.7
209.03130	0.8
211.02713	1.0
213.00745	1.5
213.04234	3.6
215.02220	1.1
219.01758	3.7
221.01138	3.0
221.02959	15.5
221.04912	0.8
227.02266	0.8
229.00175	0.7
229.05589	1.0
231.01743	1.9
231.05283	0.7
233.03403	0.9
237.02750	5.0
239.02130	14.3
239.04085	2.0
244.04599	1.0
247.04729	0.6
249.02846	1.8
253.03728	1.2
255.01582	0.9
257.03268	13.6
257.05768	0.9
259.04480	0.7
260.03143	1.6
261.02808	1.3
262.03836	0.9
263.01804	0.8
263.04248	1.3
271.04642	5.3
272.10083	1.3
273.02972	0.7
273.05844	0.7
275.05582	6.6
275.09833	1.8
287.03818	0.8
289.05951	2.9
291.03857	2.3
293.10666	4.1
299.03986	1.7
307.04843	2.1
309.04807	1.9
309.08542	1.5
313.05573	1.1
315.01709	1.6
317.05145	1.7
321.04919	1.0
331.05484	1.1
332.06528	0.8
333.02652	4.3
333.06100	0.7
335.06454	0.8
335.11768	1.8
341.05545	0.8
349.06677	2.5
359.04572	1.9
377.07239	18.6
377.12109	0.6
395.06476	8.2
413.07516	24.3
414.07877	1.4
418.08835	1.1
419.08234	0.9
431.08508	1.1
436.08710	1.2
437.08405	9.2
437.15585	2.6
455.09415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27332	2.6
57.03406	3.1
67.05489	10.5
69.07066	6.6
70.41217	8.3
70.41633	5.6
71.04970	9.6
79.26181	2.3
81.07037	8.1
83.01315	7.7
83.04993	3.4
91.05457	5.3
93.07030	15.9
95.08589	4.7
105.07041	15.1
106.40869	2.4
107.08580	11.8
109.06518	3.1
109.10119	13.4
113.05984	24.8
117.07014	3.7
119.08578	9.3
121.09261	4.9
121.10130	93.9
123.08047	6.3
131.08488	4.8
133.10107	13.3
135.10773	3.3
135.11653	17.8
137.09602	4.1
137.13237	3.3
143.08559	2.6
145.10069	10.4
147.11624	4.6
151.07532	9.4
153.05502	4.0
157.10130	3.8
159.08064	2.6
163.11165	23.0
165.09103	23.3
165.12743	3.2
169.08488	2.9
173.09607	57.9
173.13300	3.0
187.07614	3.9
187.11108	3.2
191.10632	5.1
201.12701	5.3
203.14278	7.3
209.55721	3.0
211.11179	4.5
221.15341	11.1
227.14255	3.0
229.12189	20.5
229.15849	3.5
231.13713	3.4
245.15408	6.9
271.20508	3.3
297.18445	4.4
303.57370	2.7
315.19522	21.7
315.23074	4.9
333.20544	100.0
334.20837	4.4
373.27493	3.4
401.51346	3.0
437.23474	3.0
437.29886	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	436.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93179	2.8
60.96977	3.0
67.05483	5.0
69.07046	6.9
70.91953	10.4
71.04987	7.0
74.65070	2.6
79.05454	3.3
81.07048	4.2
83.01305	5.9
91.05476	4.5
93.07027	11.3
95.08591	6.6
105.06998	17.2
107.08583	13.0
109.10139	7.7
113.06013	24.7
117.07018	3.8
119.08577	5.4
121.10123	85.9
121.10984	4.4
123.08056	5.6
124.12160	3.0
130.07739	3.4
133.10117	13.1
135.11676	17.9
145.10095	12.2
151.07523	11.0
153.05391	4.5
154.05762	3.4
163.11203	19.7
165.09085	6.0
169.08641	7.6
173.09579	49.4
175.11189	4.2
191.10622	6.9
197.07867	3.9
203.14287	8.9
211.11096	6.1
221.15395	6.7
229.12169	18.7
229.15778	3.4
245.15367	10.3
247.13359	4.5
315.19623	23.3
315.23001	4.9
333.20538	100.0
334.20770	4.4
338.32431	3.0
362.04321	3.3
388.45215	2.8
388.72211	3.1
418.33817	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	436.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01862	0.6
55.05495	1.4
55.27249	0.5
57.03424	0.8
59.04984	0.8
61.02933	0.6
65.03901	0.6
67.05492	1.4
69.03411	2.3
69.07047	2.3
70.61191	1.6
71.04979	10.3
71.05338	1.1
73.02923	0.6
73.06529	2.3
75.23952	0.5
79.05490	4.1
81.03399	1.6
81.07042	15.5
83.04934	0.7
83.08573	0.5
85.02894	5.7
87.00790	1.9
91.05470	1.9
93.07031	11.1
95.04950	1.1
95.08615	2.8
97.02873	3.5
97.06510	0.9
98.32546	0.6
99.04430	1.2
101.40075	0.6
105.01860	4.8
105.07040	0.8
107.04919	0.8
107.07903	0.9
107.08579	8.9
109.02837	1.4
109.10132	2.3
119.08543	1.0
121.02833	0.6
123.04424	4.2
127.03884	3.3
133.10106	0.8
135.11670	21.4
145.04910	2.0
147.04369	1.2
147.11644	0.8
153.01852	0.6
153.12718	100.0
154.13037	1.7
159.02879	0.9
161.13292	0.8
163.03905	1.3
167.06970	1.2
168.07317	0.7
179.03271	0.8
181.04884	2.8
182.05284	1.7
191.03368	6.4
221.15388	0.7
231.04825	1.3
234.08334	1.5
239.16374	1.4
249.05981	0.7
259.05273	0.6
285.07648	1.1
304.05365	4.0
314.07214	0.7
317.06659	0.8
326.07391	1.2
343.08084	2.6
385.45343	0.7
388.14731	0.7
401.00238	0.6
415.96182	0.6
418.15503	1.3
436.10501	0.8
437.12170	0.8
445.45990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17486	9.3
69.07050	11.9
70.64561	7.1
70.99617	10.4
70.99964	16.1
71.04980	11.9
74.18837	7.9
81.07020	12.5
83.01350	16.2
91.05489	7.8
93.07035	11.4
105.03363	8.2
105.07012	20.5
107.08576	10.8
109.06464	9.2
113.05976	22.4
119.08566	9.5
121.10131	100.0
123.08035	8.5
123.72612	7.1
131.60924	8.5
133.10124	20.1
135.11658	14.6
145.10120	11.5
163.11168	21.6
173.09596	54.3
204.06984	8.0
221.15279	9.5
227.14320	13.1
229.12230	21.0
245.15562	8.8
315.19464	22.8
321.18777	8.3
333.20575	90.2
334.20578	8.0
361.05081	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	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02976	0.4
51.96172	0.4
53.03935	0.6
54.90228	0.3
55.05507	1.1
56.31102	0.4
56.60868	0.4
57.03415	0.4
57.07075	0.4
57.31106	0.3
59.04981	1.7
63.19538	0.4
65.03927	0.4
67.05482	1.3
69.03423	2.0
69.07081	1.8
70.61051	0.8
70.61430	1.3
71.04984	11.9
72.05304	0.4
73.06550	3.3
79.05489	3.8
81.03418	1.0
81.07050	16.7
83.08597	0.5
85.02891	4.6
85.06547	0.8
87.00811	2.1
91.05462	1.6
93.07039	10.6
95.04941	0.6
95.08575	2.4
97.02877	1.8
97.06523	0.9
105.01855	3.3
105.07014	1.3
107.04934	0.6
107.08590	8.9
107.83112	0.4
108.96408	0.4
109.02856	1.4
109.10143	2.1
111.04368	0.4
119.08572	1.5
121.10126	0.5
123.04445	0.6
123.11684	0.5
127.03894	2.6
133.10092	0.6
135.11678	20.7
137.09679	0.6
139.03893	1.2
145.04941	0.6
153.12730	100.0
154.13072	1.6
157.18176	0.4
159.02927	0.7
161.05936	0.5
161.09663	0.6
167.07118	1.0
181.04950	1.2
182.05284	1.1
189.09041	0.5
191.10722	0.4
203.14449	0.4
203.17958	0.8
221.18930	0.5
231.05061	0.6
234.08420	0.9
239.16440	0.8
244.03764	0.4
249.06139	0.5
273.90540	0.5
275.05606	0.7
287.05295	0.5
303.04953	0.9
304.05338	2.7
377.01813	0.6
418.15430	0.5
437.12576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.1
55.01867	9.5
55.05503	13.2
57.03432	9.6
61.02906	8.2
67.05492	17.5
68.99773	5.8
69.03423	25.3
69.07057	14.6
69.58058	46.4
71.04952	4.7
73.02902	21.5
79.05496	22.9
81.03406	24.2
81.07053	27.1
83.04974	16.2
85.02892	75.8
85.06526	9.1
87.00825	25.0
91.05465	24.1
93.07028	72.1
95.04974	33.0
95.08591	18.1
97.02884	32.8
97.06520	16.5
98.20692	8.5
99.04453	17.2
101.05992	6.7
105.01839	28.3
105.07034	34.7
107.08582	93.5
109.02866	17.5
109.06495	12.2
109.10117	8.7
111.08073	6.4
113.05988	6.5
115.07540	7.5
119.08559	12.9
121.06470	7.2
121.10134	7.2
123.04420	19.9
123.08061	12.8
124.04742	11.7
127.03924	45.4
133.06441	5.7
133.10124	9.5
135.08037	10.9
135.11673	80.0
137.09509	4.4
137.13213	6.7
139.03859	8.4
145.04982	23.0
145.10181	5.8
147.11674	44.4
148.04701	7.5
153.01825	14.6
153.12735	47.1
154.02135	5.1
157.10181	7.0
159.02911	11.3
159.06480	6.7
161.05963	6.8
163.03880	14.9
165.01797	8.2
165.12730	29.1
167.07050	8.3
175.11166	30.0
181.04965	6.1
191.03389	9.6
193.12230	73.6
204.03712	4.4
211.13269	84.3
221.11684	9.9
221.15265	8.6
230.05176	5.7
231.05040	7.9
239.12822	29.7
239.16479	15.0
243.13696	5.2
257.13660	12.2
260.03171	12.8
261.14926	4.7
271.06024	7.0
272.06247	10.8
274.07971	13.5
275.05472	51.9
276.75409	5.2
303.04877	32.0
304.05331	100.0
305.05679	10.7
344.48996	4.6
347.14856	5.1
378.88174	4.4
430.86261	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43097	1.3
53.03940	8.8
55.01865	11.6
55.05497	3.7
57.03433	8.3
57.07048	2.0
59.26452	1.4
61.02927	7.7
64.99342	1.4
65.03928	1.6
66.95186	1.3
67.05472	3.1
68.99776	2.5
69.03422	29.3
69.07065	7.5
69.68451	8.4
69.68864	4.0
71.04980	6.9
73.02909	10.6
78.59142	1.3
79.05484	19.5
81.03403	38.2
81.07053	18.9
82.03709	1.5
83.08607	2.4
85.02892	100.0
87.00818	38.7
91.03914	2.7
91.05462	8.1
93.03414	1.4
93.07033	31.3
95.04953	3.3
95.08593	11.7
97.02879	49.6
99.04452	22.5
105.01133	2.5
105.01844	42.0
105.07009	5.9
107.08579	26.2
109.02857	35.2
109.06519	2.3
109.10108	2.0
115.03938	4.0
117.01842	4.5
117.07016	2.2
119.08542	2.8
121.06456	1.7
121.10120	2.5
123.04420	10.1
125.02267	2.0
127.03897	78.6
129.01822	3.5
133.10056	2.3
135.04410	1.7
135.11674	69.2
137.13239	4.2
145.03833	2.6
145.04947	43.4
147.02840	4.1
147.04376	3.9
147.11734	2.0
150.61876	1.7
153.12737	4.9
159.02863	25.4
159.11684	2.3
161.04417	3.6
163.03828	2.7
171.08006	1.5
191.03349	13.8
201.03799	1.7
201.12555	1.5
203.17960	1.9
213.03860	3.6
221.15298	3.8
231.04897	15.6
231.06754	1.6
239.16330	4.5
239.19933	2.1
243.06654	1.7
243.13718	2.7
249.06067	2.3
255.10268	2.0
256.10556	2.4
260.03143	2.7
274.11484	5.4
275.05432	31.8
285.07458	7.5
317.06516	2.6
395.10953	4.5
436.13144	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25147	0.8
55.01859	2.4
57.03436	5.9
61.02905	1.3
67.05523	1.2
68.99752	1.2
69.03412	5.4
70.06571	1.3
71.04980	3.3
71.56859	1.3
72.08146	1.8
73.02898	1.0
75.04462	3.5
79.05482	3.0
81.03393	2.0
81.07047	0.9
83.04925	0.9
84.08149	1.1
85.02895	13.9
85.81666	0.8
91.05450	2.1
93.03403	0.9
97.02877	5.9
102.05508	1.2
103.05454	1.4
105.03355	1.0
105.07016	23.8
105.07726	1.3
107.04931	2.3
107.08621	0.9
109.02861	1.4
109.06471	1.1
111.00893	0.8
111.04401	1.3
113.20463	0.7
115.03908	3.5
117.07009	1.4
121.02856	3.9
121.06599	0.8
122.03642	1.2
123.04427	7.1
127.03914	4.8
129.05476	0.9
131.04936	0.8
133.06471	64.0
134.06735	1.2
135.04457	1.1
135.45073	0.7
137.02339	8.8
137.05956	100.0
138.06297	1.8
139.03894	5.7
147.04390	1.6
148.55624	0.8
149.02266	1.0
149.06001	1.0
151.03934	0.8
153.01813	7.4
154.98140	0.8
157.04912	1.9
163.03874	3.1
163.07545	4.8
165.01790	2.7
165.05437	1.4
165.09097	40.4
175.03812	1.9
175.05971	3.2
175.07521	3.1
177.01851	3.9
178.05719	0.9
181.08554	2.8
183.02885	1.3
183.10153	26.9
189.01881	2.1
191.03337	2.0
195.02820	1.7
203.03345	2.5
203.10616	2.4
205.04872	2.0
207.02887	1.5
213.88397	1.0
215.03346	1.4
221.11685	4.5
224.91713	0.9
227.03468	1.2
231.02953	6.0
239.12811	4.8
249.03888	2.1
256.33804	0.9
257.13812	95.8
258.14142	3.5
260.03134	18.9
263.05438	5.6
273.03891	1.8
274.10651	2.3
275.05453	59.5
287.05426	9.8
291.08582	1.8
299.05521	1.4
329.06564	2.1
341.06461	15.7
359.07541	3.5
401.08664	2.2
419.09653	1.0
437.10165	1.0
445.57156	0.8
458.32199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77785	1.0
55.01867	1.6
55.05508	1.3
57.07058	1.4
59.04995	1.2
67.05492	2.9
67.93668	1.0
69.03393	1.0
69.07050	2.5
71.21422	3.0
72.14680	1.1
79.05470	1.6
81.07027	5.5
85.15450	1.0
91.05474	3.7
93.07049	5.2
95.04929	1.2
95.08588	3.4
105.07014	3.8
107.04934	1.3
107.08626	5.0
109.06487	13.5
109.10147	2.5
117.07031	2.1
119.08573	5.1
121.06479	6.5
121.10149	1.6
123.08069	1.5
123.11700	12.6
128.06226	1.0
129.06992	2.2
131.08577	2.2
131.49133	1.0
131.71344	1.0
133.06476	4.3
133.10112	2.6
135.08034	12.1
135.11681	4.3
137.09569	1.1
145.10043	1.4
147.08025	8.4
147.11681	1.4
149.05966	2.1
149.13304	1.1
151.07431	2.2
157.06471	4.5
157.10074	2.2
159.11700	1.1
161.05962	13.5
163.11218	1.4
165.05466	3.2
167.03415	2.3
168.03870	1.7
169.10126	1.6
175.07521	18.5
185.05936	2.9
187.11247	1.3
191.07091	5.9
197.13306	1.7
203.07005	100.0
204.07350	2.4
207.06487	1.9
208.06847	1.4
209.08203	7.9
213.12810	1.2
221.08055	69.5
221.15309	1.6
222.08388	2.6
225.07472	1.4
226.07903	2.7
227.08052	1.4
259.13287	10.3
277.14325	97.4
278.14618	3.9
291.15002	1.2
303.15659	1.4
324.98361	1.2
325.17804	1.4
331.18805	2.9
334.49167	1.1
343.19003	42.3
343.23059	2.5
349.19778	2.0
361.20010	25.1
371.31363	1.1
399.25122	4.2
417.26349	1.8
435.21521	1.6
435.28259	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	436.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01860	10.1
55.13922	1.9
57.03426	5.4
60.39277	2.0
61.02926	8.3
65.03936	3.9
68.99776	6.0
69.03423	28.7
70.30054	3.7
70.30453	5.6
71.04983	5.7
73.02896	8.9
74.06063	2.2
79.05490	2.9
81.03410	36.0
84.04485	1.9
84.08116	2.3
85.02894	100.0
87.00814	28.6
87.04469	1.9
97.02876	34.1
98.06046	2.4
98.20720	2.3
99.04442	18.2
103.03941	3.2
105.01849	27.1
107.04977	11.2
108.04470	8.3
109.02859	33.6
110.07186	2.1
111.04441	18.1
117.01849	5.2
119.04933	3.1
123.04417	6.5
126.05486	4.1
127.03899	59.5
129.01828	7.6
130.08665	2.3
135.04440	3.6
137.02368	4.7
137.05986	2.3
139.03885	44.4
145.04945	29.8
147.02872	5.4
147.04407	9.2
149.02429	1.9
153.01851	2.6
153.05508	2.8
159.02878	18.6
163.03877	19.6
169.04965	2.3
171.06499	63.5
172.36711	1.7
177.01846	2.7
177.05539	2.9
181.04982	8.0
189.03973	6.8
195.02814	2.0
195.06490	33.2
205.04987	2.0
207.06451	3.7
213.04057	3.7
213.07545	21.2
230.06540	2.3
231.02916	2.4
231.04979	11.8
237.07521	15.9
248.07660	6.1
260.03088	2.5
261.07529	8.9
266.08469	2.0
275.05606	10.2
279.08578	20.6
287.05573	8.0
341.06619	2.9
383.09668	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	435.2735
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03926	4.8
54.80540	0.9
55.01851	3.2
55.05500	18.0
57.03424	9.8
57.07066	3.4
59.04983	1.0
62.22126	1.0
65.03918	3.0
67.05495	78.9
69.03422	1.5
69.07057	13.4
71.01336	3.5
71.04977	5.2
71.51037	1.8
73.02901	1.2
79.05480	55.7
80.05824	1.3
81.03401	8.1
81.07042	39.2
83.04965	11.5
83.08608	6.7
85.02875	1.9
85.06518	4.6
91.05468	32.2
92.05785	0.9
93.07030	59.2
94.07352	1.6
95.04953	16.0
95.08595	14.5
97.06516	11.5
97.10158	11.1
99.08077	1.9
103.05486	1.7
105.03381	2.6
105.07016	17.0
107.04939	5.5
107.08577	35.2
109.06519	4.5
109.10140	25.0
111.08068	4.3
117.06998	7.9
119.04919	1.3
119.08552	13.1
121.06499	5.5
121.10127	8.8
123.04407	1.1
123.08054	3.5
123.11678	1.5
125.06003	1.2
125.09598	3.4
129.06972	4.6
130.07787	1.6
131.08551	3.8
133.10115	9.9
134.10353	0.9
135.08145	1.0
135.11667	55.2
136.11998	1.2
137.05971	1.7
137.09584	3.2
143.08549	3.5
145.10092	12.6
147.08054	2.0
147.11668	8.9
149.06012	1.8
149.09613	1.3
149.13388	1.0
151.11154	1.2
153.12721	2.3
157.10083	1.8
158.82074	1.0
159.11642	1.9
161.09590	1.7
161.13261	3.2
163.11180	9.5
167.06999	1.0
169.10069	1.2
171.11676	5.7
173.09546	1.6
173.11760	5.5
175.11252	1.9
177.05440	1.5
181.04985	1.3
181.12204	13.8
189.09167	1.1
189.11226	1.3
189.12755	4.2
199.11433	1.3
199.13309	4.3
207.13704	7.0
209.08073	1.8
229.14363	1.1
235.85153	0.8
237.14955	1.5
255.15971	1.6
303.04977	3.5
343.22607	4.1
361.23779	1.4
365.12286	1.3
409.10535	1.2
417.26273	4.6
417.33844	1.2
435.27380	100.0
436.27692	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	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.16182	1.0
51.73486	0.8
53.03934	4.4
54.54301	0.9
55.01868	2.6
55.05506	20.2
56.16626	0.8
57.03432	13.8
57.07061	2.2
59.04997	1.3
65.03928	2.0
67.05497	82.6
68.05815	1.3
69.03407	1.8
69.07065	18.4
69.53818	9.0
71.01353	5.2
71.04980	6.3
79.05482	62.3
81.03406	9.3
81.07048	33.3
81.07411	0.6
81.07536	1.1
83.04964	12.8
83.08611	6.6
85.02905	1.0
85.06514	4.9
91.05025	0.7
91.05467	34.0
93.07037	65.9
94.07376	1.3
95.04961	12.1
95.08585	12.5
97.06522	15.9
97.10159	12.0
98.21417	1.8
99.08088	2.2
105.04501	1.8
105.07016	12.0
107.04930	3.4
107.08582	41.1
109.06512	3.7
109.10144	20.4
111.08047	2.0
117.07018	7.8
119.08572	13.3
121.06512	3.3
121.10142	9.5
123.08042	1.3
125.09589	2.6
129.06995	2.5
130.07817	1.1
131.08572	2.2
133.10104	4.9
135.08051	1.7
135.11678	70.1
136.12036	1.8
137.09570	2.5
143.08542	2.5
145.10117	12.2
147.08049	2.2
147.11670	4.2
153.12724	2.7
159.11632	0.9
161.09641	1.6
161.13268	1.3
163.11142	9.8
171.11665	3.8
173.11758	2.5
181.12212	18.0
189.12657	1.3
199.13322	4.2
207.13788	4.1
237.14967	1.8
242.46912	0.9
249.81866	1.1
255.16087	1.0
343.22928	1.6
361.23651	1.2
368.13083	1.1
417.26276	3.1
435.27402	100.0
436.27948	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	435.2734
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
66.05364	0.8
67.01657	0.8
67.05483	1.7
69.07063	8.5
69.64214	3.8
69.64648	3.5
70.01528	0.6
79.05485	1.0
81.07034	2.1
83.01330	1.5
91.05456	1.1
93.07035	2.2
99.30844	0.7
104.88880	0.8
105.06983	1.1
107.04907	1.4
107.08560	2.9
109.10169	1.0
121.06540	1.1
123.11678	9.2
135.04477	0.7
135.08020	2.9
135.11684	5.1
137.05954	1.0
145.06447	0.7
149.05865	1.0
153.05388	1.4
157.41928	0.7
163.07523	4.7
165.05458	21.2
172.78328	0.8
189.05280	0.7
191.06990	51.1
192.07378	2.0
197.08069	1.6
207.06375	0.8
209.08049	100.0
210.08415	1.7
221.11707	11.2
240.92792	0.9
247.09492	1.0
253.86102	0.8
262.35147	0.8
277.14383	3.9
287.16339	8.4
302.50226	0.8
305.17346	3.0
323.18427	1.1
329.17535	1.1
331.18997	30.3
332.19260	1.7
339.49493	0.8
343.18872	2.0
343.22626	2.0
347.18289	1.1
349.20044	18.2
350.20285	1.1
399.25168	1.2
417.26303	1.0
435.27271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.46332	0.4
55.05489	1.0
57.03412	0.6
57.07068	0.5
67.05485	1.7
68.62584	0.4
69.06694	0.8
69.07056	11.7
70.08776	0.9
70.09186	1.7
79.05468	1.7
81.03393	0.5
81.07048	3.3
83.01338	2.3
85.21459	0.4
91.05455	2.0
93.07036	4.2
95.04936	0.6
95.08586	2.0
105.06990	1.2
107.04923	1.1
107.08576	6.6
109.06492	1.0
109.10140	1.9
111.11720	0.5
117.07017	0.9
119.08603	0.7
121.06474	1.6
121.10134	0.6
123.11695	13.6
131.08540	0.5
133.10133	0.6
135.08044	3.1
135.11676	7.8
137.05933	0.8
145.06461	0.9
149.05984	2.9
151.07509	0.6
153.05447	3.4
163.07530	5.3
165.05458	23.8
166.05699	0.5
179.07027	0.9
189.05402	1.1
191.07004	48.7
192.07336	1.1
197.08026	3.0
205.08780	0.9
207.06499	0.9
209.08066	100.0
210.08408	2.1
221.11710	12.8
223.09587	0.5
229.08650	0.8
247.09680	0.9
247.13318	0.7
265.14404	3.5
275.12842	0.6
275.16339	0.6
277.14352	3.5
287.16391	13.0
291.15848	1.0
292.99411	0.5
305.17627	3.1
323.18512	1.0
329.17441	1.2
331.18988	40.9
332.19421	1.7
343.18915	2.0
343.22647	3.6
347.18781	0.6
349.20071	3.6
361.19925	0.6
367.21182	0.5
399.25366	2.3
417.26422	1.0
435.27118	1.5
435.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2738
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.76990	0.5
53.03906	0.4
55.05491	1.5
57.03424	1.2
59.92208	0.4
64.45092	0.4
67.05486	1.9
69.07055	20.8
71.27721	1.3
75.42629	0.4
79.05487	0.9
81.07038	2.8
83.01329	1.2
88.14283	0.5
91.05477	1.6
93.07030	7.4
95.08585	1.7
102.09179	0.4
105.07014	0.7
107.04944	0.8
107.08578	3.8
109.06506	0.7
109.10165	2.1
109.46976	0.4
119.08533	0.5
121.06516	1.3
121.10183	0.5
123.11678	1.7
131.08577	0.6
135.08061	1.4
135.11667	5.1
141.05447	0.5
149.05991	1.1
149.09608	0.7
151.07521	1.1
153.05481	2.9
159.07997	1.2
163.07530	3.0
165.05460	6.0
167.07077	0.9
173.09563	1.0
175.07449	0.5
177.05486	1.9
177.09067	1.9
177.12608	0.5
178.06232	1.2
179.06996	8.1
187.07475	1.1
189.09047	0.6
191.06995	24.3
197.08109	3.7
201.09132	2.4
202.06021	0.5
203.07024	2.7
205.08582	12.4
206.09010	0.5
209.08055	29.5
210.08434	0.9
215.07143	0.9
215.10593	0.5
219.10068	3.4
221.11745	0.8
223.09616	20.0
224.09944	0.6
229.08565	11.2
229.12057	0.7
231.10114	4.2
233.08185	0.7
235.09673	0.6
247.09625	18.6
249.11034	0.6
251.12825	0.8
256.26352	0.5
257.11636	3.8
259.13187	1.2
261.11282	1.6
275.12732	13.6
275.16144	1.3
276.13171	0.5
287.16364	27.3
288.16537	1.1
289.14487	0.6
305.17499	4.7
313.17944	2.6
329.17374	1.2
331.18979	100.0
332.19406	2.9
343.18933	3.4
343.22772	1.7
349.20062	9.0
361.19940	1.6
399.25314	1.6
417.26471	2.2
435.27560	1.5
435.79691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03579	0.5
67.05462	0.8
67.27644	0.5
70.01171	2.1
70.01577	1.3
79.05432	0.5
81.06984	0.6
93.06999	1.2
94.15587	0.5
95.08578	1.0
98.21389	0.8
107.08556	0.8
119.08566	0.7
135.11630	1.1
136.28447	0.5
179.03120	0.7
181.08395	0.5
195.02855	1.9
196.03186	1.4
197.03387	0.9
202.52838	0.6
232.07043	3.9
233.07816	1.0
243.06186	1.6
244.06921	0.7
245.07744	1.5
256.06772	1.5
257.07315	1.1
269.07745	0.9
270.08578	1.7
283.09357	9.3
284.09949	1.7
286.11658	3.8
295.12973	0.6
297.10828	1.1
301.14136	0.9
310.11655	1.7
313.13620	1.0
323.12558	4.4
351.15540	1.6
365.17108	4.6
366.17972	100.0
367.18591	14.0
378.17871	0.7
379.18097	1.8
407.20557	1.4
407.25452	1.7
407.71841	0.6
417.23999	1.9
432.94690	0.6
435.25021	100.0
436.25449	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	435.1645
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03923	1.3
55.01849	1.4
56.18931	1.0
56.89251	0.9
65.03926	6.2
67.05495	3.8
67.10152	1.1
69.03407	5.3
69.07075	1.2
71.04982	3.1
71.79350	1.0
71.79797	1.7
72.47382	0.8
73.02917	1.5
78.04690	1.1
79.05473	8.3
79.63877	0.9
81.03413	2.9
81.07030	4.6
82.04196	2.0
85.02896	8.4
85.06516	1.8
91.05440	4.7
93.03391	1.5
93.07029	2.9
95.04942	4.5
95.08578	1.4
97.02874	1.7
97.06529	2.5
103.05423	1.3
105.01860	1.0
105.07018	2.3
106.04131	1.9
107.04947	13.6
107.08585	1.6
109.10167	2.3
110.03645	2.3
111.04465	2.2
115.03941	1.3
115.05451	2.8
117.07012	5.2
119.08604	1.8
121.02808	1.1
121.06514	3.0
123.04408	4.0
124.05164	2.3
125.05966	3.7
127.03923	4.7
128.06194	1.3
129.06989	3.0
131.04959	1.7
131.08583	2.1
133.06464	2.8
135.04405	1.1
135.11658	4.2
137.05922	1.9
138.03072	1.1
139.03932	1.0
139.07555	1.1
140.04610	0.9
141.06937	1.4
142.02583	2.2
144.05713	3.6
145.06454	8.4
145.10081	1.1
146.10452	1.5
147.08060	1.5
149.05954	1.8
152.04694	2.0
153.01825	1.4
153.05399	2.0
153.12730	17.8
155.04921	1.1
155.05972	1.1
155.07042	2.0
157.06465	2.4
159.08026	3.6
161.05983	4.7
163.03822	1.3
167.07025	45.1
168.07516	1.3
171.06525	5.5
172.05234	5.7
173.05989	5.7
175.07538	2.1
177.05405	2.7
181.04935	100.0
187.03934	1.8
187.07550	6.7
189.05457	1.9
190.06219	1.7
190.39374	0.9
191.06981	2.1
191.10699	2.5
193.08618	1.3
195.06549	2.6
200.04767	2.3
201.05400	6.2
201.16374	4.1
202.16675	7.4
203.06990	1.1
205.08604	4.6
206.05734	2.9
207.10167	1.5
209.08093	3.8
215.03372	1.0
215.07043	1.1
217.08562	1.5
218.05534	4.6
219.10092	6.1
221.08041	5.8
229.04973	1.4
233.05708	2.3
233.08052	45.4
234.08501	1.8
235.09624	3.1
238.18687	1.2
243.02902	1.2
245.08174	1.8
247.07697	1.1
251.09151	3.7
263.06802	2.0
263.09164	13.9
271.05963	1.3
287.05630	1.3
289.06235	2.9
292.07193	1.2
293.08182	1.2
295.09799	1.0
303.04941	16.2
304.05426	1.3
307.09515	1.2
308.64044	1.0
323.09137	1.8
352.08923	1.0
355.11783	2.3
367.11658	3.6
371.15109	1.7
372.12189	1.6
381.13406	2.3
387.14291	8.7
399.14313	7.2
417.15378	28.8
418.15387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
55.01854	2.2
57.03434	7.7
61.02911	1.9
68.99781	2.9
69.03406	2.5
69.37039	0.8
69.69798	1.2
69.70210	6.3
73.02892	3.2
79.05466	1.6
81.03395	3.1
85.02894	24.0
85.50490	1.0
88.76023	0.9
91.05456	3.2
93.03384	1.2
95.04955	4.3
97.02876	4.0
98.21386	2.1
103.03900	2.0
105.06983	1.4
106.07381	1.4
107.01302	0.9
107.04939	4.9
109.02880	5.2
119.04912	6.0
121.01972	1.0
121.02843	15.5
121.06460	2.2
123.04417	10.0
125.02336	2.6
127.03856	2.5
131.04907	1.7
133.10086	1.1
135.04385	3.0
137.05942	4.8
141.01889	2.1
147.04390	15.4
149.02306	2.3
151.03842	1.1
151.07518	2.4
153.01807	6.1
156.19746	1.1
159.04398	1.5
161.05965	9.6
161.09587	2.4
163.03899	9.0
163.07634	1.3
165.01813	34.6
167.03360	1.7
167.07036	1.6
171.02879	3.4
175.03862	1.9
175.07472	1.1
177.01801	14.1
177.05440	1.2
179.03416	2.0
179.29166	0.9
181.04942	3.3
183.02863	23.4
183.05441	1.5
187.03917	2.2
189.01781	6.6
189.09084	5.9
191.03375	25.2
193.01237	1.3
195.02867	100.0
196.03349	2.3
197.00957	1.3
202.02756	1.0
202.16644	1.0
203.03397	3.8
205.04942	3.6
207.02823	3.0
207.10130	10.7
209.00858	1.5
209.04428	2.2
215.03397	2.4
217.01260	1.5
219.02861	39.7
219.10121	1.2
220.17700	1.1
231.02864	30.3
233.04424	3.8
237.03880	1.4
243.02878	7.2
249.03914	13.3
261.03918	24.8
267.06516	1.6
273.07568	7.5
273.16721	1.5
279.04907	6.2
283.06097	1.2
285.04318	1.9
285.07541	39.2
287.12863	1.7
294.02838	1.0
297.07660	18.9
298.07590	1.4
303.04929	2.8
309.07449	1.8
313.14154	1.6
315.08572	20.1
316.09079	1.0
331.15195	2.2
339.08618	38.4
340.09082	1.7
351.08627	20.8
363.08542	6.3
369.09506	4.2
381.09546	11.6
382.10156	1.2
385.12753	1.3
399.10648	14.4
405.14352	1.6
417.11792	1.8
435.22046	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	435.1282
Annotation	Isoengeletin
Peak:m/z	Relative Intensity
55.01844	2.5
55.05499	1.1
57.03429	13.1
61.02930	1.5
64.16916	1.2
65.03926	1.9
68.99786	2.3
69.03418	14.8
69.49925	14.2
71.04985	100.0
73.02905	4.7
75.04453	3.0
79.05471	2.1
83.04968	4.4
85.02896	95.6
85.15025	1.0
86.03267	1.5
87.04485	1.8
91.05484	1.4
95.04983	1.4
95.08588	1.1
96.42957	1.2
97.06496	1.5
101.06007	1.4
104.77489	1.3
105.86530	1.2
107.04948	28.8
109.06474	1.3
111.04440	3.4
111.96718	1.1
119.04935	2.5
121.02844	3.4
123.04420	2.6
129.05458	28.9
135.04381	5.6
137.05928	1.6
147.04396	8.2
147.06451	6.0
149.02325	11.3
153.01804	36.2
163.03902	3.2
165.01772	6.1
167.03391	2.0
167.07019	2.9
171.02837	2.4
173.02328	3.5
177.01755	1.7
181.04941	2.8
183.02849	4.4
191.03278	3.0
195.02878	10.4
203.03401	2.1
215.07001	13.8
219.02849	3.7
231.06596	7.6
233.07986	2.1
239.07051	3.7
243.06528	11.8
245.04449	3.3
255.06464	2.6
257.08005	3.9
263.05334	6.0
267.06522	2.8
269.01633	1.3
271.05872	6.9
273.07553	32.1
274.07977	1.8
283.05890	1.6
285.07516	6.1
289.07043	19.4
295.05984	3.3
299.07684	1.5
303.04965	23.0
309.07584	3.2
313.06970	3.3
331.08096	5.6
335.08902	1.4
337.07117	1.9
353.10211	2.5
355.07910	2.1
381.09641	5.3
399.10553	6.1
417.11621	1.8
435.12964	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1278
Annotation	Schoenoside
Peak:m/z	Relative Intensity
51.35291	0.4
52.49885	0.4
55.05456	0.5
57.03414	0.7
61.02903	0.7
63.96819	0.4
67.60136	0.4
69.03396	1.5
69.07035	0.9
69.95491	0.4
70.06554	0.5
70.21789	0.7
70.22192	1.0
73.02908	4.9
81.07021	0.9
85.02869	1.8
90.43058	0.4
91.05473	0.5
92.78298	0.4
93.07045	1.0
97.02876	0.7
105.03325	0.6
105.07029	0.9
107.04895	0.6
107.08585	0.7
109.06473	0.5
111.04453	0.5
115.03867	0.7
121.02879	0.7
121.06472	0.6
123.04389	1.0
127.03832	0.6
133.10081	0.4
135.04428	0.6
135.11674	0.5
136.04738	0.5
137.02309	1.4
139.03915	0.6
146.07759	0.4
147.04369	0.7
149.05965	0.6
151.03770	0.4
151.11244	0.7
153.01788	0.9
163.03897	1.2
165.01880	0.6
167.07021	0.7
167.66129	0.4
181.04948	1.4
195.02850	0.6
201.05409	0.9
229.04958	1.4
233.08069	1.1
237.18329	0.6
243.02863	63.1
244.03206	2.3
257.04572	1.1
258.05206	33.5
259.05530	1.7
273.07541	100.0
274.07895	4.8
285.03622	0.6
303.04959	32.4
304.05292	1.8
312.48334	0.4
315.08893	0.5
331.07993	1.8
346.10870	0.6
378.17426	0.5
435.12808	27.6
436.13358	2.1
437.66998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0917
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01871	0.2
57.03408	0.7
61.02913	1.9
68.99791	0.7
69.03397	0.5
69.80820	1.3
71.01339	0.4
73.02908	15.4
73.08965	0.3
79.95982	0.2
85.02879	0.7
97.02862	0.2
98.20734	0.4
103.37852	0.2
109.02843	0.6
111.00773	0.8
115.03901	1.0
121.02831	1.0
123.04362	0.4
123.69329	0.2
127.03928	0.3
137.02316	3.1
147.04495	0.3
149.02350	0.6
153.01797	4.1
163.03856	0.8
165.01810	2.2
166.02588	0.5
169.26305	0.2
173.05974	0.5
183.02887	1.2
187.03909	0.3
191.03278	0.3
195.02928	1.1
201.05460	2.4
205.04947	0.5
219.02988	0.6
219.06490	0.2
228.04231	0.3
229.04930	4.3
231.02725	0.3
233.04294	0.2
247.06067	0.9
249.03987	0.4
255.06444	0.5
257.04443	2.5
258.05142	0.3
273.07385	0.5
274.04688	0.8
285.03928	1.5
293.45724	0.3
303.04953	100.0
304.05276	3.0
373.91061	0.2
424.48151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05493	2.1
57.03423	1.4
57.07076	0.9
61.02911	0.8
65.03923	0.8
66.92651	0.6
67.05497	12.2
68.05821	0.6
69.03403	2.2
69.07052	10.2
70.04989	3.7
71.04976	5.7
72.66960	0.6
73.02885	1.2
77.49730	0.6
78.01541	0.5
79.05492	3.0
81.03404	0.8
81.07040	8.5
83.04974	1.5
83.08606	1.5
83.11329	0.5
85.02892	7.3
85.06532	1.0
91.05467	3.8
93.07033	6.0
95.04966	0.9
95.08582	4.4
97.02886	1.7
97.06510	6.6
99.08058	0.8
105.07016	9.6
107.04944	1.5
107.08572	7.0
109.06508	2.1
109.10138	100.0
110.10450	2.1
111.08048	0.9
113.09595	0.9
115.05499	0.8
117.07011	1.8
119.08547	3.7
121.06525	1.3
121.10148	4.8
123.04416	12.5
123.08007	0.8
123.11686	2.2
125.09616	1.7
127.03894	2.5
127.11178	11.4
131.08504	3.6
133.10095	5.6
133.10950	0.7
135.04451	0.7
135.08015	1.5
135.11687	5.0
137.02290	1.4
139.11156	0.8
143.10663	5.2
145.04933	1.0
145.10107	7.2
147.04369	1.7
147.11647	2.4
149.05966	0.9
149.09535	0.7
149.13229	1.3
151.11163	1.4
155.10646	39.6
156.10966	0.8
159.11656	5.6
161.13223	3.7
163.03880	2.3
163.11183	1.7
167.07028	3.1
167.14339	0.8
173.13132	1.5
175.14787	2.5
177.12689	1.5
179.14253	2.9
181.04950	3.6
183.06534	0.7
187.07376	0.7
189.05421	0.7
191.14273	1.2
191.17966	1.2
201.16359	13.7
203.03189	0.8
207.17433	2.8
209.08125	1.4
219.10147	0.7
219.13992	1.1
219.17413	19.7
220.17766	0.9
233.07982	0.8
237.14688	2.0
237.18459	68.3
238.18881	1.8
240.12376	0.6
245.04326	0.7
255.15973	0.7
271.05844	1.0
273.03925	0.9
276.46976	0.7
288.05878	2.0
303.04980	6.6
303.45364	0.7
325.06900	3.4
393.09885	0.8
416.10596	0.7
417.15518	1.8
434.11063	1.4
435.10739	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	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01859	9.7
57.03429	16.4
59.04980	2.8
61.02920	12.5
67.67080	1.2
69.03419	26.0
69.51644	9.6
71.01327	3.4
71.04980	1.6
71.79182	1.0
72.04488	1.4
73.02904	48.7
81.03394	6.1
85.02890	100.0
86.03230	2.1
87.04441	3.7
91.03926	4.7
91.32234	1.1
92.99980	1.2
94.36823	1.2
97.02878	51.7
99.04424	3.9
103.03923	3.1
105.07013	14.5
108.32542	1.1
109.02876	6.8
115.03914	25.6
119.95592	1.1
127.03889	33.9
132.06549	3.2
133.04953	29.9
145.04935	61.1
146.05263	2.2
147.08043	2.2
150.07597	5.6
162.97572	1.2
163.06003	33.8
186.34174	1.2
189.09105	1.4
193.04857	1.3
199.05927	1.6
201.09015	5.5
217.07060	1.5
219.10146	3.5
223.05986	5.0
231.10046	2.1
241.07019	5.9
249.11244	2.7
255.12230	2.3
259.08130	11.2
277.09091	2.8
285.13266	10.3
295.10205	5.4
297.07532	1.2
301.08554	1.3
302.15717	1.6
399.10806	1.5
434.19623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24393	0.7
54.64852	0.9
55.01861	3.7
57.03429	29.9
61.02916	14.0
61.31183	0.9
64.07170	0.8
69.03423	37.4
70.95001	2.9
71.01338	3.5
71.04967	1.8
73.02906	64.2
75.04434	1.0
75.35881	0.8
81.03418	6.3
85.02895	100.0
86.03249	1.1
87.04462	9.0
91.03962	3.7
93.07039	1.1
96.04462	1.2
97.02879	58.1
98.03236	1.2
99.04431	3.3
103.03943	1.7
105.07022	10.5
109.02863	9.1
115.03921	47.2
119.04863	1.0
119.08553	1.0
121.02859	2.1
127.03902	31.3
132.06590	2.2
133.04948	20.3
145.04939	57.5
147.04398	2.2
147.08049	3.3
150.07584	7.8
163.06001	28.7
165.01811	5.1
171.02904	0.9
177.01830	1.5
180.08626	1.5
183.02908	2.3
189.01813	1.0
189.09126	1.4
191.03412	3.0
195.02846	13.4
201.09094	3.6
217.07127	1.3
219.02890	5.2
219.10179	2.6
223.06059	4.2
231.02887	4.2
231.10094	2.2
233.08095	1.2
237.11322	1.0
241.07063	7.2
249.03929	1.1
249.11133	1.7
249.69362	0.9
259.08078	7.5
261.03961	2.1
277.09296	1.2
285.07587	4.0
285.13275	11.9
295.10223	7.1
297.07547	2.0
302.15875	1.8
315.08572	2.5
339.08600	4.5
351.08545	2.5
399.10822	1.1
403.65646	0.9
434.14908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.6
53.03936	0.8
54.16914	0.7
55.01863	0.8
57.03426	3.1
61.02909	2.2
69.03415	12.2
71.01321	0.6
71.04964	1.8
71.45673	1.0
71.46013	0.8
73.02911	5.4
81.03413	5.1
85.02894	6.9
87.04459	0.9
94.06536	1.4
95.04946	0.7
97.02894	4.5
99.04436	7.8
101.94004	0.6
104.04926	1.1
105.01849	0.8
105.03381	0.8
106.06505	1.2
113.05962	0.9
117.05487	4.8
118.06538	4.5
119.03332	0.6
120.04451	16.5
122.06013	6.1
127.03891	10.4
130.06474	1.1
132.04434	49.0
133.04837	1.1
133.76384	0.7
134.06004	4.9
136.74074	0.6
138.05470	4.6
144.08096	1.0
145.04962	5.0
146.06003	5.4
147.04399	1.2
148.07521	0.7
150.05486	25.0
151.03888	0.9
154.06506	1.1
158.06032	2.4
162.05472	0.8
164.18141	0.6
169.04880	1.6
172.07565	8.1
190.08554	1.9
200.07030	5.2
218.08112	16.8
228.15587	0.6
231.04878	0.9
236.09084	3.0
254.10207	7.0
272.11249	100.0
273.11533	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	434.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01870	10.8
55.87525	1.3
57.03430	21.8
59.04988	1.8
61.02676	1.4
61.02921	16.6
69.03418	48.2
70.00148	8.8
70.06583	2.0
71.01326	6.3
71.04977	3.8
73.02905	83.5
79.05466	4.7
81.03400	11.7
81.07039	2.0
85.02890	100.0
86.06033	4.2
87.04470	7.6
90.01098	1.4
91.03922	5.5
91.05471	2.7
95.08542	1.3
96.04484	1.9
97.02876	68.4
98.20807	2.8
99.04423	8.9
103.03923	4.0
105.03384	6.0
105.07002	2.2
108.04467	1.6
109.02861	11.2
112.07628	1.9
115.03915	34.3
117.05470	2.0
117.30489	1.4
118.06553	3.5
119.08545	2.0
119.19083	1.2
119.41917	1.3
120.04438	11.8
122.06010	3.3
123.04411	22.7
127.03909	31.5
132.04436	31.9
132.06548	2.4
133.04945	46.3
134.05971	4.3
138.05515	4.7
144.06569	2.5
144.08122	2.4
145.04938	46.5
145.10147	1.9
146.05952	3.0
147.04393	1.9
150.05481	18.3
150.07574	2.5
151.03969	1.7
156.06502	1.7
161.13179	3.3
162.07564	2.7
163.03893	2.3
163.06007	14.3
165.05391	1.7
172.07550	5.4
177.05450	13.9
179.06732	1.6
180.08669	5.5
183.04716	1.8
190.08588	2.3
199.05872	1.4
200.07010	4.0
201.16136	1.5
218.08090	13.3
219.06537	8.3
223.06012	4.9
236.09097	2.7
237.07512	1.7
241.07072	5.9
250.10780	7.0
254.10185	4.9
259.08066	8.3
272.11255	78.2
273.11716	1.9
294.12057	2.6
295.10092	2.9
329.10352	1.7
371.11075	1.6
384.14166	2.1
402.15424	8.2
416.16824	2.0
434.10361	1.8
434.17093	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	434.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
55.01863	12.1
57.03433	8.4
60.04517	1.2
61.02911	6.0
68.99789	1.8
69.03422	30.3
70.06564	4.3
71.04967	5.7
71.81146	1.9
72.08142	1.7
73.02908	10.4
80.49773	1.4
81.03404	34.2
81.07063	1.4
83.04982	2.4
84.08151	1.3
85.02893	100.0
85.30822	1.4
86.02048	1.2
86.03181	1.4
87.00813	36.4
87.01305	2.8
87.04453	1.5
91.03926	2.6
93.06992	1.7
95.04970	1.7
97.02878	45.8
99.04442	18.3
99.38184	1.4
104.19413	1.5
105.01852	54.1
105.07037	2.1
107.04929	10.2
108.04486	2.3
109.02866	41.8
111.04411	5.8
115.03886	1.6
117.01820	3.3
123.04403	9.5
125.05975	1.9
127.03897	90.8
128.04230	5.4
129.01848	4.5
137.05939	1.9
139.03894	1.7
141.05455	1.7
145.04944	40.7
147.02873	6.3
147.04362	4.0
151.03891	31.6
151.05054	2.7
159.02892	20.8
163.03816	1.8
163.07585	1.7
169.04945	10.5
177.04031	2.0
177.05397	8.6
188.01198	1.4
189.03949	2.2
203.03300	1.9
204.03682	1.8
213.03935	6.0
219.06392	2.6
231.02876	2.2
231.04959	22.6
249.05846	2.0
250.10660	5.3
265.32513	1.7
269.74298	1.5
272.05838	2.7
272.14975	2.3
273.07675	1.9
304.25156	1.4
317.04224	1.4
329.10056	2.5
388.08664	1.9
399.09119	3.6
402.15286	3.5
416.17197	3.0
434.09424	4.2
434.17685	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.1
55.02172	1.6
56.88315	1.7
57.07076	4.5
62.35326	1.9
67.05501	3.7
69.07059	31.8
69.82298	11.1
70.07397	4.0
71.04991	2.6
79.05477	4.4
81.07038	7.9
83.01325	3.9
85.06540	1.7
91.05482	4.5
93.03329	1.8
93.07046	8.4
95.04965	5.5
95.08595	6.2
105.03377	17.8
105.07018	5.2
107.04927	2.9
107.08601	8.6
109.06511	4.3
109.10130	6.8
117.07030	2.8
119.08578	3.3
121.06459	2.1
121.10115	9.3
123.08069	4.4
123.10876	2.7
123.11687	16.4
127.07668	1.7
133.06467	3.5
133.10110	3.6
135.08025	21.3
135.11635	8.4
136.12033	2.5
136.68202	1.7
137.05937	3.2
137.09593	4.0
138.68123	1.7
139.03949	4.2
145.10062	2.9
155.03365	3.9
155.07011	2.1
161.06004	12.1
163.07533	4.1
165.05469	13.8
166.05841	2.4
167.03380	36.8
167.05914	2.2
169.01318	1.9
170.23935	1.8
173.09636	5.1
175.07568	3.5
175.11182	2.6
177.05373	2.2
177.09024	3.1
179.06999	3.3
189.01828	12.5
189.05461	14.1
203.07005	3.6
205.08592	7.8
206.08913	3.2
207.02954	11.9
207.06500	54.8
207.09312	2.5
213.05437	4.0
221.08162	3.0
221.11641	3.6
222.12125	2.1
223.09642	28.4
224.09996	4.6
225.07574	63.1
225.10037	5.0
231.06505	33.4
245.11630	2.6
249.07632	23.3
257.11865	2.6
263.12805	4.0
275.12711	2.2
285.11609	2.1
288.16757	4.5
289.14301	25.5
289.17099	2.9
291.10150	4.0
293.13818	6.8
307.15311	7.6
309.11179	100.0
310.11395	5.4
327.19238	3.1
329.17374	6.5
331.18634	2.2
340.88083	2.2
345.20599	2.4
346.21069	3.1
347.18112	21.1
347.22073	4.0
359.18515	3.2
363.15805	7.3
365.17160	16.8
377.17563	4.8
415.24750	6.0
433.24014	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	433.2581
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
55.05490	0.8
57.03437	0.7
57.07061	3.5
67.05486	1.5
69.03423	1.2
69.06734	0.9
69.07059	9.2
71.20861	1.7
73.02918	1.1
79.05462	1.8
81.07045	3.3
83.01337	1.5
83.08609	0.8
85.06534	0.8
91.05465	1.8
93.07021	4.3
95.04947	1.3
95.08581	2.3
101.59411	0.7
105.07009	2.4
107.08568	4.8
109.06496	1.9
109.10134	1.7
115.05428	0.7
117.06998	0.9
118.13254	0.6
119.08540	1.4
121.06451	1.1
121.10130	3.8
123.04491	0.7
123.08045	0.8
123.11684	4.7
128.06235	0.7
131.08499	1.1
131.30141	0.6
133.06543	0.8
133.10071	1.2
135.08086	0.8
135.11684	6.8
137.05943	2.6
141.05394	1.6
143.08559	1.1
145.06473	0.9
145.10092	1.8
147.47911	0.7
149.09467	0.6
151.03900	0.9
151.07520	1.0
153.05429	9.2
161.05962	1.5
163.07498	1.0
163.11226	0.8
165.05446	15.8
166.05768	1.2
169.04968	1.0
171.11656	0.8
173.09543	1.0
175.11201	0.7
177.05386	0.7
179.03363	12.0
179.06978	6.8
191.07022	1.1
197.04422	5.2
203.10561	1.5
205.04887	0.9
205.08543	1.0
207.06494	100.0
208.06842	3.0
209.07976	1.4
213.07622	1.5
221.08191	0.8
221.11665	5.8
225.07541	51.8
226.07864	1.7
235.09460	0.7
275.13040	1.3
275.16418	2.2
285.18369	1.0
287.16422	4.4
293.13794	2.5
313.17899	1.4
315.88968	0.6
329.17490	4.6
330.17816	0.7
331.18695	1.8
343.22510	0.8
347.18488	25.4
348.18704	1.0
365.19608	1.5
415.24545	1.7
433.25806	2.2
438.02194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2583
Annotation	Wortmannilactone D
Peak:m/z	Relative Intensity
53.03939	1.5
55.01872	3.7
55.05507	11.4
55.29592	0.7
57.03433	4.7
57.07070	8.2
62.30522	0.7
65.03917	1.8
67.05139	1.0
67.05498	18.8
69.03408	2.8
69.07066	8.2
70.35798	2.8
70.36214	1.2
71.04966	1.8
75.04469	0.9
79.05486	18.9
81.03397	3.1
81.07046	19.4
83.01342	1.2
83.04970	3.6
83.08604	5.7
85.02882	1.7
85.06533	5.0
91.05470	17.4
93.07030	20.9
95.04961	11.0
95.08597	12.5
96.42159	0.7
97.02878	1.6
97.06506	4.9
97.10149	6.9
98.21354	0.9
99.08070	1.5
105.03362	1.1
105.07013	13.7
107.04935	5.1
107.08575	12.8
109.02853	1.1
109.06523	3.6
109.10134	9.0
111.04404	2.0
111.08050	2.8
115.05389	1.5
115.07562	1.2
117.07024	6.6
119.04903	1.8
119.08565	8.9
121.02898	0.9
121.06488	5.6
121.10131	16.1
122.10558	0.7
123.04368	1.7
123.08076	3.8
123.11689	1.5
125.09642	4.9
127.03922	0.9
127.07541	1.0
128.06166	1.6
129.05447	1.4
129.06990	6.3
131.04915	4.0
131.08548	10.3
133.06516	3.5
133.10104	7.7
135.04375	1.4
135.08040	4.1
135.11662	5.3
137.05943	1.4
137.09572	3.3
139.03900	6.2
141.06934	1.8
142.07745	1.7
143.08528	4.9
145.06476	5.6
145.10083	5.9
147.04382	0.9
147.08028	2.9
147.11652	4.9
149.05894	0.9
149.08473	1.2
149.09581	7.9
151.11188	1.7
153.09108	1.0
155.08553	2.4
155.10608	1.0
157.06454	1.8
157.10135	4.8
159.08052	2.3
159.11685	4.3
161.05959	1.1
161.09584	2.8
161.13216	2.6
163.03865	2.7
163.07504	1.5
163.11166	2.0
165.09055	1.0
165.12782	1.2
167.06995	1.6
167.08505	1.4
167.10664	1.2
169.06500	0.8
169.10115	3.8
171.08041	1.9
171.11678	5.2
173.06007	1.3
173.09583	2.3
175.07541	1.5
175.11136	1.6
177.05420	0.9
177.09065	1.6
179.10582	0.7
181.04973	2.5
181.10056	1.2
183.07974	0.9
183.11658	2.4
185.09573	2.3
185.13229	1.6
187.07593	0.9
187.11195	3.7
189.09081	2.0
189.11133	2.4
189.12747	4.3
191.10565	1.0
193.08658	0.7
193.12175	1.0
195.11681	1.4
197.09656	1.7
197.13284	1.1
199.11174	1.8
203.07001	0.8
203.10551	1.4
203.14377	0.8
203.17986	1.1
205.08612	1.0
205.12215	2.3
211.11154	2.2
213.09137	1.5
213.12790	1.3
213.16364	1.0
215.06952	1.9
215.10631	1.4
215.14351	1.0
217.12213	1.2
219.13780	0.7
221.07993	1.6
223.11333	0.9
223.13164	1.2
225.12708	1.6
229.12207	1.6
231.10196	1.8
231.13736	1.0
231.17358	1.7
233.08101	0.9
235.09576	1.0
235.16873	1.2
237.18459	2.2
241.08638	1.2
241.12103	1.4
243.13861	2.1
247.09669	2.3
247.13348	1.0
249.18466	12.1
257.15363	1.1
259.09796	1.5
271.05960	9.0
271.12964	0.8
272.06281	0.8
277.10989	0.7
277.14410	3.0
287.05576	1.4
289.14255	1.4
295.17007	1.3
295.20499	0.8
303.15793	1.3
307.15344	1.3
310.19116	4.0
311.19736	0.7
313.18094	1.4
313.21585	1.8
317.17526	0.8
321.17053	1.5
323.19965	4.2
323.22543	2.6
335.18509	1.0
341.20789	23.9
342.21506	1.4
343.18845	0.9
353.24716	2.2
359.22098	4.0
371.25638	1.2
379.22876	1.5
397.23465	7.4
401.12399	2.2
403.13684	1.6
415.24631	22.7
416.24765	1.3
433.10599	2.5
433.15387	3.3
433.25809	100.0
434.26279	6.1
451.92358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01862	2.0
55.05490	2.7
55.65453	1.2
57.07063	4.5
59.26019	1.2
65.03907	1.4
67.05492	4.6
69.07062	33.6
69.80967	1.3
71.04955	1.5
71.21159	2.7
72.69613	1.3
79.05473	3.9
81.07038	11.1
83.01331	3.1
85.06538	1.5
88.67027	1.6
91.05466	5.2
93.07052	7.8
93.07509	1.5
95.04981	2.0
95.08594	4.8
97.06479	2.7
103.05450	2.0
105.03380	19.3
105.07019	5.2
107.04910	3.0
107.08571	9.8
108.07681	1.4
109.06480	3.3
109.10139	4.5
117.06976	3.2
119.08530	3.3
121.06491	3.2
121.10149	9.8
123.08050	4.3
123.11691	19.2
124.03353	1.4
127.07530	1.5
129.06989	1.5
131.08565	2.1
133.06477	5.0
133.10085	3.1
135.04391	1.5
135.08035	19.0
135.11667	8.2
137.05956	2.0
137.09673	2.9
139.03894	4.5
143.08513	1.5
145.06520	1.6
145.10149	1.8
147.08014	2.1
147.54620	1.4
149.09619	3.0
151.07498	4.0
153.05411	3.4
155.03336	2.4
161.05980	11.7
163.07509	3.9
163.11200	2.7
165.05435	10.7
167.03389	48.8
169.01277	3.3
171.11711	1.7
173.09602	3.5
175.07578	1.8
177.05450	2.1
177.09042	2.2
177.12651	1.3
179.06978	4.9
187.07520	2.4
189.01749	11.3
189.05455	13.7
191.10774	1.4
199.10861	1.5
203.07045	5.5
205.08543	6.2
206.08948	5.6
207.02963	10.6
207.06505	58.0
208.06831	2.7
213.05464	6.0
217.12161	2.5
221.08032	3.6
223.09648	26.6
224.09953	5.1
225.07564	76.3
226.07884	3.3
229.12218	2.0
231.06512	37.5
232.06805	2.0
236.66008	1.4
240.10910	1.5
249.07576	24.0
257.11774	2.6
263.12527	2.4
271.13254	3.0
272.13159	1.5
275.12796	3.0
277.14426	2.0
287.12683	2.4
287.16360	1.6
288.16910	2.1
289.14294	29.1
289.17065	2.9
290.14731	2.4
293.13858	9.3
305.13461	1.5
307.15320	7.7
309.11182	100.0
310.11490	6.3
327.19284	2.4
329.17422	5.7
345.20407	2.1
346.21027	5.0
347.18097	23.2
347.21466	5.0
359.18436	4.1
363.15897	2.2
364.22122	2.5
365.17328	22.8
365.22162	2.9
366.18045	1.5
415.24338	6.7
433.24036	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2576
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
55.01865	1.1
55.05499	1.6
67.05499	2.8
68.08676	1.2
69.03413	1.2
69.06705	1.5
69.07058	23.1
71.04987	1.9
71.18844	1.7
71.19194	2.4
73.64819	1.0
79.05469	1.8
81.07040	5.3
83.01337	4.6
85.86852	1.2
91.05465	3.6
93.07037	4.5
95.08030	1.7
95.08595	21.8
103.06670	1.2
104.48553	1.2
105.07018	3.3
107.08573	8.1
109.02863	1.7
109.06487	2.9
109.10128	1.7
111.67711	1.1
119.08560	5.2
121.06489	2.6
121.10075	2.3
131.08566	3.0
133.10124	4.4
135.08017	3.7
135.11676	1.7
137.05931	2.7
137.09608	19.7
137.10570	2.3
141.05466	1.4
143.08513	1.5
149.05988	1.8
149.09630	3.3
153.05426	16.2
159.08022	3.3
161.09599	4.2
162.06775	2.1
163.07536	6.7
165.05457	64.1
168.33070	1.4
177.05359	1.2
177.09094	9.4
187.07495	2.5
189.09079	1.7
191.07068	2.6
193.08656	1.5
195.06450	2.7
199.11186	1.2
202.09862	2.9
203.07050	1.9
203.10616	1.5
205.08563	51.2
209.07990	1.5
211.09666	1.4
215.10870	2.1
217.08572	1.4
221.08189	2.1
221.11702	36.3
223.09630	49.4
243.10222	2.2
244.26657	1.4
247.13208	6.0
253.12309	3.5
259.13330	5.6
271.13266	28.0
283.16751	2.1
289.14304	60.1
290.14771	1.6
291.15912	14.2
293.15207	1.8
307.15289	6.3
311.16357	15.1
327.19479	18.8
329.17432	100.0
330.17776	3.9
345.16745	1.9
345.20453	2.0
347.18405	23.9
347.22122	1.4
359.18475	13.6
365.19556	1.4
452.86423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05503	5.7
57.07067	3.4
59.04981	0.9
65.03923	0.9
67.05153	1.3
67.05498	21.5
69.03394	1.8
69.07057	6.3
71.04990	4.7
79.05479	4.0
81.07048	11.8
83.04974	17.2
83.08625	4.4
85.06516	2.0
91.05473	6.8
93.07034	13.4
94.83511	0.5
95.04958	2.4
95.08598	19.6
95.09214	1.0
97.60023	0.6
98.20648	1.1
105.07021	7.3
107.04931	0.9
107.08583	9.6
109.06503	2.3
109.10146	44.1
110.10512	1.0
111.08067	1.1
113.06002	6.1
115.05382	0.7
117.07001	2.3
119.08572	21.5
119.09428	1.2
121.06478	3.6
121.10130	13.6
123.04414	1.1
123.08040	4.8
123.11674	1.9
125.05904	0.7
125.09616	1.8
128.06218	1.0
129.07010	1.9
130.07755	1.2
131.08565	4.4
133.06419	1.3
133.10106	6.2
135.08029	5.6
135.11678	3.2
135.12549	0.5
137.05957	1.7
137.09595	8.1
141.05437	1.4
142.07799	0.7
143.08539	3.1
145.06442	1.5
145.10123	8.5
147.08073	2.9
147.11681	10.0
149.05952	0.8
149.09593	5.3
151.07510	0.7
151.11169	1.2
155.08540	2.2
156.09398	0.7
157.10114	3.3
159.08073	2.0
159.11633	4.4
161.09602	3.6
161.13287	1.5
163.07481	1.6
163.11176	4.1
164.11723	0.6
165.09105	1.3
169.10101	2.7
171.06563	0.7
171.07954	1.4
171.11667	3.0
173.09612	6.6
173.13205	1.5
175.07532	1.4
175.11185	5.5
175.14677	0.6
177.09064	1.6
177.12694	1.0
179.10657	2.2
181.10106	1.2
183.11661	2.3
185.09605	3.3
185.13234	3.5
187.11169	3.7
187.14821	1.1
189.09094	3.5
189.12685	1.1
191.10670	4.7
191.14261	0.6
193.12186	1.4
195.11708	1.5
197.09583	0.7
197.13280	1.9
199.11195	2.3
199.14790	1.7
201.09100	2.4
201.12750	1.9
203.10677	2.2
203.14389	0.8
205.12283	1.3
207.10037	1.1
207.11783	1.3
207.13762	2.1
209.09706	1.0
209.13242	2.1
210.10327	0.9
211.11226	1.4
211.14848	2.2
213.09137	1.4
213.12732	2.5
213.16333	0.9
215.10716	1.0
217.12257	0.7
217.15881	0.7
219.10062	1.0
219.13835	1.2
221.13312	0.9
222.13922	0.7
223.14851	1.6
225.12761	2.8
225.16295	0.7
227.10783	1.0
227.14249	3.2
229.12282	1.4
229.15871	1.0
229.87747	0.6
237.12776	0.9
239.14281	1.6
241.12177	1.3
241.15871	1.4
241.19604	1.9
243.13797	2.5
245.15340	0.9
245.19106	0.9
247.16994	0.9
251.14291	1.5
251.18053	1.1
253.15936	1.2
255.13730	2.2
255.17509	0.6
257.15363	2.2
259.20679	1.2
261.14890	1.0
263.16357	0.9
265.19598	0.9
267.13708	1.5
267.17450	1.8
269.15375	1.4
269.19000	3.8
271.16977	1.9
273.14877	1.1
275.16443	2.5
277.18109	3.7
279.17426	0.8
281.15555	0.7
281.18967	1.9
283.17026	0.9
283.20532	2.0
285.14868	0.8
285.18399	1.0
287.20084	4.2
293.15567	1.3
293.18991	3.8
295.16937	1.9
297.15201	0.9
297.18341	3.1
299.20053	5.1
311.16629	1.1
311.19995	8.7
311.23419	1.3
313.17764	3.3
317.20880	3.9
321.18665	0.8
321.22174	0.9
325.17844	1.8
329.21063	28.5
330.21396	1.7
331.01288	0.8
339.23199	2.4
341.24854	0.8
345.22870	1.4
349.02548	1.0
353.24792	5.0
357.24234	4.3
363.23160	4.6
371.25760	2.4
381.24194	21.6
387.07458	1.0
397.23648	2.6
399.25266	100.0
400.25629	4.8
405.08441	1.0
415.27985	2.2
433.25345	7.1
434.65262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01862	2.0
55.05490	2.7
55.65453	1.2
57.07063	4.5
59.26019	1.2
65.03907	1.4
67.05492	4.6
69.07062	33.6
69.80967	1.3
71.04955	1.5
71.21159	2.7
72.69613	1.3
79.05473	3.9
81.07038	11.1
83.01331	3.1
85.06538	1.5
88.67027	1.6
91.05466	5.2
93.07052	7.8
93.07509	1.5
95.04981	2.0
95.08594	4.8
97.06479	2.7
103.05450	2.0
105.03380	19.3
105.07019	5.2
107.04910	3.0
107.08571	9.8
108.07681	1.4
109.06480	3.3
109.10139	4.5
117.06976	3.2
119.08530	3.3
121.06491	3.2
121.10149	9.8
123.08050	4.3
123.11691	19.2
124.03353	1.4
127.07530	1.5
129.06989	1.5
131.08565	2.1
133.06477	5.0
133.10085	3.1
135.04391	1.5
135.08035	19.0
135.11667	8.2
137.05956	2.0
137.09673	2.9
139.03894	4.5
143.08513	1.5
145.06520	1.6
145.10149	1.8
147.08014	2.1
147.54620	1.4
149.09619	3.0
151.07498	4.0
153.05411	3.4
155.03336	2.4
161.05980	11.7
163.07509	3.9
163.11200	2.7
165.05435	10.7
167.03389	48.8
169.01277	3.3
171.11711	1.7
173.09602	3.5
175.07578	1.8
177.05450	2.1
177.09042	2.2
177.12651	1.3
179.06978	4.9
187.07520	2.4
189.01749	11.3
189.05455	13.7
191.10774	1.4
199.10861	1.5
203.07045	5.5
205.08543	6.2
206.08948	5.6
207.02963	10.6
207.06505	58.0
208.06831	2.7
213.05464	6.0
217.12161	2.5
221.08032	3.6
223.09648	26.6
224.09953	5.1
225.07564	76.3
226.07884	3.3
229.12218	2.0
231.06512	37.5
232.06805	2.0
236.66008	1.4
240.10910	1.5
249.07576	24.0
257.11774	2.6
263.12527	2.4
271.13254	3.0
272.13159	1.5
275.12796	3.0
277.14426	2.0
287.12683	2.4
287.16360	1.6
288.16910	2.1
289.14294	29.1
289.17065	2.9
290.14731	2.4
293.13858	9.3
305.13461	1.5
307.15320	7.7
309.11182	100.0
310.11490	6.3
327.19284	2.4
329.17422	5.7
345.20407	2.1
346.21027	5.0
347.18097	23.2
347.21466	5.0
359.18436	4.1
363.15897	2.2
364.22122	2.5
365.17328	22.8
365.22162	2.9
366.18045	1.5
415.24338	6.7
433.24036	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2581
Annotation	Wortmannilactone D
Peak:m/z	Relative Intensity
53.03935	0.6
55.01862	1.1
55.05487	1.3
57.03418	0.6
57.07067	12.8
65.03926	0.8
67.05498	3.4
69.03422	1.3
69.07064	2.8
69.96805	0.9
69.97212	2.7
70.06543	0.5
71.04996	0.8
72.21816	0.4
73.32836	0.4
79.05489	3.3
81.03384	0.6
81.07034	3.7
83.01305	1.8
83.04958	1.0
83.08606	0.7
85.02892	2.1
85.06499	0.7
86.09666	0.6
91.05499	2.6
93.07022	4.3
95.04962	2.0
95.08605	3.4
97.02829	0.6
97.06509	2.0
99.00815	0.9
99.08064	0.5
105.07014	6.1
107.04947	1.9
107.08575	4.6
109.06509	1.1
109.10130	3.9
111.04443	0.8
116.06205	0.6
117.06995	1.5
119.04923	1.7
119.08591	3.1
119.09274	0.5
121.06496	1.2
121.10129	4.8
122.10938	0.9
123.04414	0.8
123.08047	0.9
123.11701	0.6
129.05444	0.6
129.06978	0.9
131.08572	2.3
133.06470	1.9
133.10103	2.8
134.06808	0.5
135.08020	1.1
135.11697	1.2
137.05910	0.7
137.09616	1.1
139.03816	0.9
139.07571	0.6
142.07747	0.7
143.08575	1.3
145.06476	1.0
145.10115	2.1
147.04456	0.5
147.08066	0.7
147.11717	0.6
149.05975	0.6
149.09604	1.4
151.07570	0.9
155.08530	0.6
156.09319	0.6
157.10129	2.4
159.07985	0.9
159.11676	2.5
161.06009	2.3
161.09604	0.9
161.13191	1.1
162.06720	0.5
163.03874	1.1
163.07489	0.6
167.07150	2.4
167.08299	0.6
171.11739	1.0
173.02339	0.8
173.05891	0.7
173.09610	1.3
173.13086	0.6
175.07549	1.8
175.11145	1.2
177.09105	1.4
179.10706	0.5
179.14294	0.8
181.04930	10.4
182.05191	0.8
185.09576	1.0
185.13206	0.6
187.11136	3.5
189.05457	0.7
189.09071	1.1
189.12712	0.6
192.91389	0.6
193.08566	1.4
199.07425	0.9
201.12764	0.6
203.06999	0.7
203.10661	1.5
207.06470	0.6
207.11833	0.6
211.11284	0.7
211.14981	0.5
213.12607	0.9
215.07097	1.0
215.14500	0.5
217.12260	0.5
219.06500	0.6
221.08044	4.2
223.09561	1.1
225.12755	0.7
229.12260	0.7
231.10123	1.9
233.08035	0.8
233.15259	0.7
235.09538	0.8
241.12207	1.0
243.14006	0.6
249.07639	1.8
253.12338	0.8
259.09644	2.0
266.13113	0.6
267.13858	0.8
271.09369	0.7
277.14313	2.7
287.05475	0.6
289.14230	1.2
295.17062	1.2
303.15933	0.9
307.15225	1.1
309.18427	0.8
310.19235	4.5
311.20090	0.8
313.10660	0.5
321.16928	1.3
323.20050	3.7
328.20325	2.1
329.20987	0.5
338.22269	1.0
341.21085	1.8
343.18866	0.6
351.23096	0.9
353.24658	4.5
359.18546	0.7
361.20035	0.6
369.13504	0.6
371.25961	2.3
373.20236	0.9
379.22699	0.6
397.23764	10.2
398.23718	0.5
403.13840	7.9
404.14166	0.9
415.24771	12.8
416.24854	0.9
433.25812	100.0
434.26080	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.01863	9.2
55.05503	27.4
57.03432	6.7
57.07062	1.0
59.04980	1.1
65.03916	3.2
67.05131	1.8
67.05493	35.9
69.03409	4.5
69.07067	10.9
70.40553	3.4
71.04974	3.2
77.03920	0.8
78.12106	0.8
79.05481	43.4
79.69312	0.7
79.92474	0.8
81.03391	5.4
81.07042	31.3
82.07352	1.0
83.04984	4.9
83.08608	15.2
85.02891	1.5
85.06521	1.9
88.01444	0.8
90.62600	0.9
91.05462	33.9
92.05800	1.4
93.07031	30.0
94.07373	1.0
95.04951	29.7
95.08585	14.8
97.06535	4.2
97.10155	20.7
99.08093	1.2
103.05465	2.7
105.03391	1.2
105.07006	25.1
107.04934	15.0
107.08575	20.8
109.02850	1.4
109.06494	4.9
109.10156	7.2
111.04451	0.9
111.08046	2.0
115.05437	4.5
116.06236	1.2
117.07002	16.7
119.04945	3.7
119.08567	12.0
121.06483	17.2
121.10132	15.7
123.04417	1.0
123.08042	5.9
125.09616	17.1
128.06223	4.6
129.05441	3.3
129.06978	22.2
131.04906	11.4
131.08549	29.0
133.06476	6.9
133.10109	7.8
135.04417	3.4
135.08073	9.7
135.11667	2.4
137.09602	2.1
141.06950	9.5
142.07748	1.9
143.08540	12.6
144.08942	1.4
145.06461	20.1
145.10100	11.9
147.08028	8.8
147.11638	2.9
149.09595	21.3
153.07004	1.7
153.09077	2.4
154.07770	2.4
155.08562	9.7
156.09332	1.2
157.06454	4.5
157.10091	5.6
159.08047	8.7
159.11668	8.5
161.09605	5.0
161.13248	2.9
163.11191	4.5
165.06967	1.9
166.07741	1.0
167.08572	3.9
168.09271	1.6
169.06496	1.3
169.10091	10.1
170.10880	1.0
171.08072	5.7
171.10211	2.0
171.11650	16.8
173.05908	0.9
173.09589	6.9
173.11742	1.5
173.13217	1.6
175.07687	0.8
175.11172	3.6
177.12718	1.4
179.08524	3.5
181.10104	3.6
183.07979	1.5
183.11700	4.3
185.09633	4.3
185.13216	5.0
187.11168	10.1
188.11932	0.9
189.09097	3.5
189.11176	11.4
189.12752	14.5
191.10690	1.5
191.14316	1.0
193.10112	1.5
193.12180	2.0
195.11688	4.1
197.09659	5.3
197.11288	1.0
197.13245	3.0
199.11115	4.7
201.12718	2.7
203.10625	2.0
203.14340	1.5
205.12227	8.4
209.13211	2.3
211.11203	7.5
212.11763	1.8
213.12729	2.7
215.10661	3.3
215.14392	1.9
219.13745	1.5
221.13326	1.6
223.09373	0.9
223.11249	1.4
223.13106	5.5
225.12697	3.2
227.12532	5.4
229.12224	4.8
231.13710	2.4
237.12714	1.0
239.14343	1.7
243.13878	4.8
245.13600	1.5
247.13286	1.9
249.12520	1.2
249.14865	2.3
257.15353	3.0
261.14832	1.5
267.15897	4.0
273.14816	2.5
295.20508	3.8
299.16650	1.0
299.19977	1.0
305.18912	3.4
313.21497	5.7
321.16858	1.4
323.19995	24.1
324.20251	1.6
335.18439	1.3
341.21069	97.8
342.21414	6.6
359.22195	8.6
360.22305	1.4
371.22195	1.2
377.23044	2.7
379.22430	2.1
397.23608	2.9
415.24728	51.2
416.25018	3.3
433.25800	100.0
434.26166	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	433.2582
Annotation	Wortmannilactone D
Peak:m/z	Relative Intensity
51.58387	0.7
53.03933	2.0
55.01871	7.4
55.05508	20.6
57.03432	4.7
57.07048	2.5
65.03912	1.5
67.05499	27.6
69.03426	5.7
69.07058	8.8
69.62083	1.2
69.62488	7.1
71.04985	5.0
75.04433	0.9
79.05021	1.7
79.05485	32.6
81.03400	5.0
81.07047	24.3
83.04970	4.1
83.08613	9.2
85.02867	1.6
85.06532	2.9
87.04457	1.1
88.17873	0.9
91.05471	28.1
91.06044	1.9
92.05818	0.9
93.07036	28.9
94.07358	0.9
95.04961	23.8
95.08598	13.2
95.23409	0.9
96.08889	1.0
97.02888	1.6
97.06526	4.6
97.10162	13.5
99.08071	1.6
103.05447	3.0
105.03385	1.4
105.07019	25.2
107.04938	10.4
107.08581	17.8
107.09657	1.0
108.08887	1.0
109.02831	1.1
109.06516	7.5
109.10127	7.3
111.04421	1.7
111.08068	3.4
115.05405	3.2
116.06239	0.9
117.07001	14.2
119.04911	3.2
119.08574	13.5
121.05710	1.4
121.06503	16.3
121.10130	14.1
123.04422	2.2
123.08054	7.3
125.09637	10.6
128.06238	4.9
129.05463	3.2
129.06985	17.7
129.07947	0.9
131.04907	8.7
131.08553	19.4
133.06477	7.0
133.10100	8.4
135.08034	10.0
135.11656	3.4
137.05951	1.6
137.09589	2.8
139.07536	2.1
141.06960	7.1
142.07787	1.3
143.08554	10.7
144.05681	1.1
145.06488	15.7
145.10114	12.1
147.08000	5.9
147.11691	3.8
149.05962	1.2
149.09595	17.4
149.13228	1.2
151.07556	1.5
151.11151	2.7
153.09137	1.6
155.08545	5.0
157.06471	3.4
157.10114	5.5
159.04398	1.3
159.08054	6.5
159.11685	9.2
161.05931	2.6
161.09631	4.8
161.13248	2.8
163.03850	0.9
163.07481	5.2
163.11125	6.8
165.05458	1.1
165.06929	1.8
165.09102	2.7
166.07814	1.3
167.08556	3.7
169.10129	10.2
171.08038	4.4
171.11681	12.0
172.08873	1.0
173.09599	8.2
173.13278	1.3
175.11200	2.2
177.09164	1.1
177.12756	1.8
179.08565	1.3
181.04996	1.4
181.10127	2.8
182.10847	0.9
183.08064	2.6
183.11652	4.3
185.09595	3.6
185.13271	2.8
187.07599	1.4
187.11140	9.1
187.14766	1.1
189.09100	2.7
189.11194	7.4
189.12752	8.8
191.10657	7.7
193.08623	3.5
193.10175	2.0
193.12189	2.1
195.11685	3.0
197.09627	4.1
197.13304	2.9
199.11153	4.0
201.12721	3.4
203.14299	1.3
205.12271	5.0
206.09053	1.1
207.13770	3.3
209.09895	1.2
209.11682	3.3
209.13402	1.6
211.11145	4.7
212.11836	0.9
213.09262	1.1
213.12762	2.4
215.10588	5.6
215.14383	1.3
217.12172	1.7
219.13744	1.8
223.13260	4.0
225.12779	2.9
227.10701	2.0
227.12743	4.0
229.12221	5.0
231.13756	2.6
233.11591	6.6
235.13107	1.2
237.12738	1.2
239.14380	1.5
243.13812	5.3
245.13643	1.1
249.14879	1.8
251.12608	5.7
255.13736	1.3
257.15283	3.3
259.13168	1.3
267.15945	1.5
269.13876	3.4
271.06100	1.0
273.14810	1.7
275.16299	1.0
277.19650	1.2
285.14905	1.8
287.16428	1.9
291.17276	1.3
295.20477	2.0
299.16473	4.7
299.19601	1.2
305.18817	1.8
309.18356	3.5
313.21588	4.4
317.17386	1.7
317.21082	1.1
323.20056	12.9
331.22528	1.3
335.18521	1.8
337.21515	3.5
341.21085	70.6
342.21414	3.8
359.18353	1.2
359.22195	6.4
361.21451	1.8
377.23154	1.7
379.22583	9.0
397.23691	15.1
415.09296	0.9
415.24756	37.9
416.24966	1.5
433.15286	3.3
433.25800	100.0
434.25842	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	433.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81954	0.2
71.43159	0.5
74.81539	0.3
85.02885	0.5
86.09721	0.5
96.47372	0.2
99.04391	0.3
103.84854	0.2
106.20929	0.2
108.02803	0.3
123.04416	0.7
127.03902	0.4
147.04401	0.6
151.07423	0.3
163.03874	0.9
164.04106	0.3
165.01640	0.2
180.38106	0.2
201.03664	0.3
203.03481	0.5
237.00607	0.3
259.07809	1.4
271.11456	2.2
343.09888	0.4
369.11685	0.3
401.14072	1.6
432.08240	0.3
433.16748	100.0
434.17075	2.7
441.07355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1336
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03932	0.7
55.01851	0.2
57.03419	0.3
61.02922	0.3
69.03422	2.0
70.06589	0.2
70.92417	0.7
71.04975	0.8
73.02874	0.4
77.03012	0.2
81.03401	3.1
83.04961	0.2
85.02895	5.7
97.02879	4.0
99.04447	3.8
103.03931	3.9
109.02866	2.7
119.56803	0.2
123.04458	0.5
127.03902	100.0
128.04266	1.6
137.02345	0.4
145.04938	4.0
146.05270	0.3
147.04385	0.2
163.06000	0.7
177.05649	0.2
187.06050	1.3
205.06921	0.2
239.04745	0.2
271.08130	0.8
287.05542	0.3
391.08026	0.4
391.57916	0.2
433.09961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.149
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03918	2.1
55.01870	3.0
55.05504	3.2
57.03409	2.1
57.07055	1.0
58.63744	0.6
61.02906	0.8
65.03928	6.2
67.05499	7.9
68.99759	0.7
69.03406	4.3
69.07045	2.2
70.16295	1.7
70.16698	1.3
71.04958	2.1
77.03939	0.6
79.05483	11.4
81.03407	2.6
81.07051	6.7
82.04163	2.3
83.04971	1.6
83.08602	1.9
85.02899	9.6
91.05469	5.3
93.03381	1.4
93.07030	4.5
95.04391	0.9
95.04953	9.1
95.08589	4.1
97.02908	2.7
97.06514	5.0
97.10122	1.6
98.21383	0.6
99.04397	0.6
99.08102	0.6
103.03858	0.7
103.05442	0.9
105.03372	0.6
105.07028	10.3
107.04935	16.2
107.08562	3.0
108.02096	1.7
109.02833	1.1
109.06495	1.5
109.10145	1.7
110.03670	3.6
111.04446	2.5
111.08051	0.9
113.09620	0.6
115.05442	2.2
117.06985	1.7
119.04958	0.6
119.08571	3.9
121.02856	0.7
121.06483	2.4
121.10106	2.6
123.04418	5.9
123.08011	1.0
124.05172	2.3
125.05976	5.1
125.09596	1.3
127.03880	1.9
128.06219	0.6
129.05463	1.1
129.06969	2.0
129.17322	0.5
129.67778	0.7
131.04886	1.8
131.08511	2.0
132.05658	0.6
133.06476	8.6
133.10081	1.8
135.04437	1.2
135.08070	1.1
135.11612	1.5
137.02338	0.6
137.05969	1.5
138.03082	2.0
139.03816	0.9
140.04657	1.5
141.06947	0.9
142.02588	2.6
142.03563	0.6
143.08548	1.4
145.04956	0.7
145.06433	2.3
145.10104	1.4
146.03561	1.0
147.04398	0.9
147.07974	0.6
147.11641	0.6
149.05907	0.9
149.09583	1.5
149.13260	0.7
151.07443	0.8
151.11198	0.6
152.04652	1.1
153.05479	1.5
155.07019	2.6
155.08395	0.9
157.06404	1.2
157.10138	1.3
159.08014	1.1
159.11655	2.2
160.05196	0.7
161.05962	11.0
161.09761	0.7
161.13246	1.0
162.06511	0.5
163.03865	2.3
163.11267	0.7
165.05460	1.0
167.07024	21.3
167.08330	0.9
171.06549	8.1
171.11655	1.6
173.02313	1.0
173.05983	1.5
173.09618	0.8
177.09085	0.5
177.12595	0.6
178.06200	1.1
179.07104	1.0
179.08707	0.5
179.14250	1.4
181.04938	100.0
182.05289	2.3
183.06552	3.4
183.07932	0.9
185.05902	0.6
185.09607	0.8
187.11205	0.8
189.05428	2.2
189.11215	1.3
189.12738	1.1
191.06976	1.1
193.08585	14.7
195.08125	0.7
197.05977	0.7
197.09531	0.9
200.14708	0.5
201.12764	0.6
205.12192	1.2
206.05751	1.7
207.06563	1.8
213.09018	0.9
215.07077	1.2
217.04807	0.8
219.06375	0.7
221.08064	30.0
222.08485	0.9
233.08005	3.7
236.17221	0.7
237.05330	0.6
241.08600	4.5
243.13690	0.7
245.08110	0.7
249.07559	16.4
249.10168	1.0
253.17986	1.0
259.09595	2.9
263.09232	0.8
265.08606	0.7
271.05988	1.3
271.19031	1.5
278.97598	0.5
287.05429	3.7
288.06000	0.7
293.08197	0.9
294.81403	0.6
323.19968	2.4
325.10544	1.2
327.12289	0.7
341.10138	1.2
341.21173	7.8
342.10873	0.8
353.24838	0.9
357.13397	0.8
359.22113	1.1
372.12030	1.1
373.12729	1.1
394.38412	0.5
397.23669	0.8
403.13828	79.6
404.14191	4.3
415.13687	1.6
415.25098	3.8
433.10065	1.2
433.14890	4.1
433.25870	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03943	0.3
53.47187	0.2
55.01881	0.2
55.05500	0.4
57.03428	3.5
59.04992	0.4
61.02922	0.4
68.99794	0.4
69.03432	0.5
70.36862	0.6
70.37270	0.3
71.01329	0.3
71.04986	28.7
72.05314	0.3
73.02900	0.6
75.04477	0.6
81.03402	0.2
83.04940	0.4
85.02898	25.5
87.04449	0.8
98.21290	0.3
105.03396	0.3
107.04961	0.3
109.02882	0.4
111.00797	0.6
111.04428	0.7
121.02863	2.5
129.05464	6.4
133.02901	0.3
135.04453	0.3
135.89063	0.2
137.02351	1.0
147.04433	0.4
147.06529	0.8
153.01817	3.6
165.01793	1.3
171.04404	0.3
183.02893	0.7
185.05927	0.6
199.04015	0.2
213.05379	1.5
217.04778	0.3
228.84065	0.2
231.06483	0.5
241.04984	0.7
241.08615	0.3
258.05209	0.8
259.06027	0.5
269.04367	0.3
287.05469	100.0
288.05823	3.0
299.05576	0.2
329.06445	0.4
379.08228	0.3
390.63858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	18.8
56.05828	4.3
67.05478	4.8
69.06691	3.1
69.07056	43.9
70.07397	10.4
70.08619	8.2
70.09048	3.9
71.04986	5.2
72.34977	1.9
73.38811	1.8
79.05484	3.9
80.65501	1.8
81.07047	14.3
82.07390	4.4
83.01350	3.1
88.55561	2.0
91.05452	3.5
93.07043	22.9
94.07364	10.0
95.08592	4.3
97.10152	25.2
98.10487	7.5
105.07021	2.2
107.08569	12.7
108.08907	5.0
109.02895	2.4
109.06467	2.7
109.10175	2.9
110.10471	2.4
113.05969	2.7
121.06483	3.6
121.10109	4.0
122.06857	2.0
123.11695	53.9
124.12014	30.4
125.09718	2.0
127.03914	2.7
135.08017	6.3
135.11650	14.5
136.08357	2.8
136.12000	7.4
137.05942	4.6
141.05406	2.8
149.09631	7.8
153.05437	6.9
154.05750	3.2
155.06995	3.1
159.08073	3.6
160.08429	3.8
162.06755	5.6
163.07515	7.9
164.07883	4.0
165.05453	84.1
166.05795	44.3
167.10675	6.9
168.11026	2.4
177.09102	9.5
177.12737	11.7
178.09444	10.7
178.13100	13.7
179.06961	4.1
187.07530	4.0
188.07896	3.8
191.07036	3.2
192.07378	1.9
193.08539	5.0
201.52399	2.1
203.06969	2.4
205.08568	44.2
206.08919	38.4
209.11775	3.2
211.09595	6.3
213.66216	2.1
219.10098	4.0
221.11684	30.8
222.12038	33.2
223.09616	65.3
223.11827	3.2
224.09973	56.1
238.11598	3.5
243.10107	4.5
244.10545	3.4
262.11624	3.9
276.16547	4.0
286.14935	2.0
287.16397	23.4
288.16724	56.6
290.18329	2.9
291.15759	4.4
292.16174	9.5
302.07224	2.4
305.17596	3.3
306.17764	14.2
328.19659	6.7
343.22745	5.1
344.22968	33.3
345.20407	23.9
346.20920	100.0
347.21188	3.7
357.20563	4.5
358.20770	22.0
362.24054	14.2
363.21460	4.2
364.21890	20.7
376.22137	3.0
414.27332	11.3
426.63403	2.3
432.28162	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	432.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05481	2.1
57.07090	1.5
59.16598	1.5
64.69776	1.4
66.80164	1.6
67.05495	3.2
69.07059	31.9
69.54460	14.2
70.07401	7.7
79.05494	2.5
81.07046	5.9
83.01339	5.5
91.05475	4.6
93.07038	11.9
94.07381	2.2
95.05022	1.5
95.08617	2.8
98.21443	2.6
105.07051	5.3
106.07374	1.9
107.08592	12.0
108.08894	2.7
109.02924	1.6
109.06478	3.0
109.10151	3.0
117.07018	1.5
119.08607	1.9
121.06494	6.5
121.10146	11.3
122.06860	1.5
122.10469	2.3
123.08070	1.6
123.11711	13.5
124.12014	6.0
131.08559	2.4
133.10104	3.6
135.08061	6.2
135.11664	13.7
136.08337	2.5
136.12004	5.2
137.05956	3.3
138.06303	2.2
149.09613	5.7
150.09984	3.5
153.05495	6.0
154.05786	2.3
159.08052	4.3
160.08377	3.7
162.06721	3.4
163.07509	12.3
163.11237	3.4
164.07928	4.1
165.05461	91.6
166.05792	46.6
173.09497	2.3
177.09074	15.8
178.09409	9.5
179.07002	2.5
180.07404	1.7
187.07550	4.8
188.07884	4.2
191.06982	4.8
191.41354	1.7
192.07368	1.5
200.68535	1.5
203.06976	1.9
204.07541	1.9
205.08589	70.6
206.08916	57.1
206.10881	2.2
207.09235	2.8
209.08089	8.5
211.09561	1.9
219.10202	2.4
220.10481	3.6
221.11707	34.5
222.12048	38.0
223.09634	100.0
224.09969	87.1
225.07539	3.0
225.10136	3.0
237.11273	2.0
244.10524	2.3
262.11652	2.6
275.12622	2.4
287.16376	21.7
288.16736	50.3
289.17212	1.8
291.15808	5.6
292.16214	12.0
305.17508	3.2
306.17642	6.4
328.19620	3.2
329.17429	4.8
344.19260	3.7
344.22891	4.8
345.20428	15.4
346.20914	58.2
347.21130	2.3
358.20947	8.4
362.20230	1.6
363.21320	2.2
364.21823	5.5
397.23993	2.0
414.27197	8.3
415.24670	3.1
432.28000	2.5
433.26099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	3.5
69.07056	33.9
70.07376	10.6
70.26892	6.5
70.27302	9.7
71.04997	2.4
75.43160	2.3
80.80699	2.5
81.07025	10.4
82.07387	3.0
83.01326	5.8
84.31795	2.9
91.05459	4.5
93.07039	6.1
94.07360	3.0
95.08588	7.3
96.08884	4.2
96.52084	2.4
98.21458	3.4
100.18699	3.0
105.07017	4.3
107.08578	11.2
108.08916	7.8
109.02849	3.9
109.06526	4.4
109.10125	2.9
121.06478	4.8
121.10104	9.2
122.06841	2.9
122.10446	8.5
123.11696	30.2
124.12010	19.0
133.10106	2.8
134.10417	4.0
135.08025	4.4
135.11639	13.6
136.08441	4.1
136.11993	8.7
137.06000	4.7
145.10132	3.8
149.09631	6.2
150.09929	2.7
153.05435	7.1
154.05731	3.3
159.08029	7.0
160.08369	3.8
162.06683	2.9
163.07442	8.0
163.11220	4.5
164.07819	7.3
164.11470	3.1
165.05453	100.0
166.05804	44.4
177.09047	13.6
178.09393	8.4
187.07437	4.0
191.06937	3.1
195.02861	14.7
205.08589	56.2
206.08936	53.6
207.09244	13.9
208.09366	3.2
210.00186	2.7
221.08284	3.8
221.11693	42.6
222.12019	36.2
223.09619	91.1
223.11829	5.9
224.09946	81.4
224.12056	5.5
225.10133	13.7
226.10461	9.5
255.06578	6.9
287.16443	19.7
288.16675	50.2
291.15808	4.6
292.16223	10.1
306.17725	6.3
309.17572	2.8
311.12677	7.4
312.48248	2.5
320.13599	2.8
322.17709	3.1
327.18469	4.7
328.19061	7.1
344.19147	8.1
344.22791	6.3
345.19855	24.2
346.20544	62.7
358.20923	7.2
363.16415	3.4
363.20410	12.5
364.21121	25.1
373.65045	3.0
377.17447	7.1
378.24399	4.5
396.25134	5.0
414.26645	20.7
432.27310	23.3
433.23563	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	432.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82444	0.9
55.05501	1.4
57.07061	1.4
67.05493	3.2
69.07062	4.4
70.29515	4.6
71.04984	5.8
72.05315	2.1
79.05484	2.3
81.07050	14.9
82.07370	2.8
83.04971	10.7
84.05311	1.8
85.59924	0.9
91.05477	2.2
91.49153	1.0
92.13576	1.0
93.07039	5.1
94.07372	1.6
95.04923	1.2
95.08597	3.3
96.08944	1.0
105.07031	2.8
107.08582	4.3
109.06487	1.8
109.10150	2.9
113.06017	3.0
119.08566	2.0
121.06509	2.3
121.10140	3.8
122.10478	1.2
123.04448	1.2
123.11694	36.4
124.12033	19.8
125.09576	1.1
133.10117	4.2
134.10432	1.1
135.08073	1.5
135.11662	8.5
136.12001	6.0
137.05968	11.3
137.09622	1.5
138.06306	5.6
139.03912	1.3
147.07948	1.3
147.11678	1.8
148.11963	1.5
149.09575	1.1
151.07558	1.0
153.05414	4.4
153.72562	1.1
154.05807	1.0
155.07034	1.5
161.05898	0.9
161.09650	1.3
165.05490	5.9
165.09055	1.5
166.05785	3.1
175.11179	1.9
176.11563	1.9
177.09065	1.5
179.10712	3.7
180.10986	2.2
183.89667	1.1
195.10136	2.1
196.10516	2.2
203.10651	2.3
204.11000	3.2
205.08524	2.3
206.08972	2.2
221.11691	12.1
222.11998	9.9
223.09683	2.9
224.09995	2.8
249.14720	1.2
253.63066	0.9
270.19458	1.0
288.16714	2.6
288.20407	1.1
291.15915	1.5
292.16125	1.6
324.96985	1.0
326.21878	2.3
327.18835	1.3
343.22571	9.1
344.22989	54.7
345.23550	1.5
346.20737	8.3
396.26108	4.2
414.27170	100.0
415.27774	4.5
432.28339	17.2
433.57193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32129	2.6
52.53007	2.2
55.05491	13.3
57.03422	4.6
57.07061	3.9
66.86372	2.1
67.05497	16.4
69.03417	4.5
69.07050	13.0
70.07389	2.5
71.04981	5.9
71.81285	4.8
71.81673	3.6
77.68424	2.4
79.05487	17.8
81.07047	100.0
83.08604	4.2
85.02889	12.1
86.00636	2.8
91.05465	11.6
93.07040	21.0
95.04972	5.9
95.08601	51.8
97.02868	5.4
97.06493	2.6
97.10150	4.5
99.04464	4.1
105.07009	37.5
107.08575	30.4
109.02841	3.2
109.10140	23.8
111.08054	3.1
113.05984	4.2
119.08566	53.3
121.06539	3.9
121.10139	15.0
123.08095	2.9
123.11688	45.2
125.09643	3.7
127.03900	4.3
131.08542	4.7
133.10110	36.9
135.08054	2.8
135.11662	23.6
139.03908	2.5
145.05040	3.2
145.10161	3.9
147.08063	2.9
147.11687	19.6
149.09612	3.3
153.09128	4.5
157.10139	3.6
159.11665	8.8
161.05812	2.6
161.09624	6.5
161.13240	59.4
163.03827	3.1
165.05446	6.9
166.05775	4.4
171.73703	3.0
175.11089	4.0
189.16367	97.9
196.71979	2.5
199.14856	5.2
202.08968	2.7
205.08566	9.2
206.08995	5.3
217.15860	26.7
223.09644	10.8
224.09889	7.8
235.16905	74.7
269.04340	3.7
270.04797	7.5
288.16675	4.0
316.15894	4.9
346.21045	5.5
432.28220	3.7
433.25839	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	432.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50188	0.3
56.96556	1.9
58.66334	0.3
62.47500	0.3
69.03403	0.4
69.07069	2.2
70.06588	0.8
70.07411	0.3
71.10744	0.7
79.05473	0.6
84.04504	0.4
84.08115	0.6
84.96006	0.4
85.02876	1.7
86.09692	0.6
87.08096	0.9
89.03920	0.7
91.05469	1.4
93.07046	1.9
95.04935	0.3
97.02902	0.5
98.97587	1.0
99.04481	0.4
103.05450	6.3
105.09096	0.4
107.04940	1.2
116.98626	0.6
117.03368	0.7
119.04904	0.7
120.08085	100.0
121.08425	2.2
123.04398	0.4
127.03885	0.6
131.04900	2.6
134.06052	0.4
135.04405	1.5
139.03908	0.3
143.00127	0.7
145.02832	1.1
145.04924	0.4
146.99640	0.4
147.04382	3.4
149.05905	1.5
161.01199	0.9
163.03882	7.1
164.04257	0.9
165.05437	1.1
166.08612	54.1
167.08965	1.2
170.99663	0.5
185.01100	0.4
187.02843	0.4
189.00682	0.4
203.02142	0.4
205.08640	0.7
219.01712	0.4
223.09634	1.2
224.09937	1.1
237.00548	0.6
237.02795	1.0
243.01845	0.3
255.01697	0.6
270.13269	0.6
273.02460	0.4
277.10239	0.3
287.16318	0.5
288.16614	1.0
319.06894	0.4
345.20370	0.4
346.20996	1.8
390.04037	0.8
395.46576	0.4
410.30762	0.3
433.16702	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	432.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01859	2.0
56.63347	0.6
56.96551	5.0
57.03423	2.1
59.04995	0.8
60.04516	1.1
61.02921	1.4
69.03427	9.1
70.06583	2.0
71.04992	0.8
72.08132	2.6
73.02902	1.6
74.02434	1.1
81.03399	2.6
83.04960	1.0
83.40574	0.7
84.04483	1.5
84.08140	1.1
84.96033	0.9
85.02399	1.3
85.02894	20.4
87.04453	1.7
88.03982	1.6
89.03891	1.7
90.05543	100.0
95.04959	1.0
97.02885	11.0
98.97571	5.0
98.98504	0.9
99.04451	2.0
101.02331	0.9
104.07125	1.4
106.04991	1.9
107.04972	0.7
109.02883	2.4
111.04435	0.7
111.67951	0.6
112.07597	1.2
116.98612	2.8
117.03383	1.1
118.08674	1.3
119.01849	1.3
123.04426	3.0
127.03905	14.0
128.98598	1.6
129.10207	1.1
130.08652	1.3
131.00092	0.8
134.04498	1.0
134.99660	1.4
135.04379	3.4
137.02322	1.7
137.05992	2.6
138.05525	1.8
139.03841	1.5
143.00186	1.5
145.02829	1.6
145.04941	12.6
146.99635	1.5
147.04416	2.0
148.06056	0.9
158.99651	2.3
161.01230	2.1
161.02931	1.0
163.03889	16.0
163.06020	1.9
164.04185	1.8
170.99611	1.8
173.03014	0.7
175.04576	0.7
177.00768	1.8
186.99030	0.7
189.00723	2.0
191.03876	1.0
194.06897	0.7
200.04475	0.9
201.00720	1.2
215.02209	0.7
218.99904	0.6
219.01624	3.1
229.77934	0.9
231.01695	1.0
237.00856	1.2
237.02827	1.7
245.05128	1.2
246.05223	0.8
249.02959	0.8
253.08630	0.8
258.08640	0.6
261.02893	1.7
261.07977	1.1
266.03793	0.7
270.08057	0.8
271.05807	0.9
276.06018	1.0
279.04031	1.5
281.06952	0.9
291.04019	0.9
341.56094	0.7
390.04657	0.8
390.09827	0.9
409.04489	0.8
432.02121	1.6
432.13885	0.6
433.01151	1.3
433.11121	1.1
433.16812	14.8
451.51669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.07074	2.7
67.05488	4.3
69.07065	12.0
69.84971	11.1
71.04981	14.2
79.05479	1.7
81.07044	18.2
83.04969	15.5
90.00780	1.3
90.43697	1.4
91.05457	3.5
93.07045	8.2
95.08601	5.4
105.07045	4.4
107.08578	7.8
109.06506	4.0
109.10148	7.7
113.06011	4.9
119.08577	5.1
121.06521	2.2
121.10138	4.0
123.08070	2.0
123.11697	72.8
124.12025	1.5
133.06500	1.6
133.10095	4.4
135.08067	1.9
135.11693	16.8
137.05965	23.0
137.09595	1.9
139.03883	2.4
147.04463	1.7
147.08032	1.6
147.11684	3.7
149.06004	2.0
151.07492	2.9
153.05429	9.7
153.09019	2.0
155.07054	2.2
157.10083	1.9
163.07513	1.9
165.05472	18.3
165.09097	2.9
175.11192	4.0
177.09048	6.1
179.10645	5.2
191.07027	1.5
191.10672	1.8
193.12073	1.8
195.10172	3.6
203.10652	6.4
205.08566	16.5
206.08928	2.6
209.11674	2.3
216.94171	1.4
219.10164	3.3
221.11716	32.9
221.13766	2.5
223.09631	25.0
224.10066	2.9
233.07916	1.8
261.11124	2.7
275.12778	4.0
275.16376	2.5
287.16400	16.5
289.14191	1.8
291.15836	5.7
305.17456	2.5
325.21555	2.4
327.19156	2.3
343.22656	70.8
344.23163	4.2
345.20541	24.1
346.20828	1.7
357.20612	2.2
363.21140	2.8
377.24829	1.7
395.25714	3.9
413.26834	100.0
414.27191	13.3
431.27988	20.8
432.28174	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	431.2788
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
53.35049	2.5
53.35288	3.3
55.05498	7.8
57.07065	30.5
64.07459	2.8
65.03948	2.5
67.05498	24.7
69.03404	3.9
69.07058	37.5
69.08471	2.6
69.89657	19.8
71.04980	5.9
72.65644	2.9
79.05476	9.8
81.07034	20.5
83.01318	4.9
83.04969	9.6
83.08588	4.8
85.06509	4.3
85.26328	3.0
86.55006	2.6
91.05463	11.7
93.07030	26.6
95.04967	6.5
95.08591	35.4
105.07020	22.0
107.08574	24.4
109.02897	3.2
109.06489	9.7
109.10134	34.5
114.21190	2.7
119.08562	41.3
121.06474	8.8
121.10105	15.3
123.08054	8.5
123.11700	26.4
127.07500	4.3
129.06947	3.4
131.08533	9.5
133.06448	3.6
133.10091	9.4
135.08028	12.8
135.11674	18.8
137.05943	8.8
137.09583	17.2
143.08488	5.3
145.06483	3.9
145.10114	7.9
147.11674	19.9
149.05879	3.7
149.09586	11.5
151.07591	3.0
157.10100	7.3
159.08011	11.0
159.11620	7.6
162.06714	5.5
163.07524	12.3
163.11142	11.6
165.05450	68.6
165.09103	4.0
173.09586	10.5
175.07518	4.9
175.11142	5.5
177.05450	3.7
177.09087	17.4
177.12694	3.4
179.07039	4.3
183.11653	3.4
185.13240	4.8
187.07521	4.3
187.11130	5.0
191.10658	4.7
195.11737	3.6
197.13164	3.0
201.12715	3.0
203.07056	3.6
203.10686	4.5
205.08577	71.8
205.12115	3.1
206.09012	4.1
209.11595	2.9
215.10609	8.0
219.10081	5.4
221.11703	34.6
223.09610	100.0
224.09935	4.0
224.38875	2.7
227.14220	4.6
233.11700	4.0
237.11038	3.6
243.13959	4.3
255.13727	3.4
261.11179	3.4
269.19025	6.6
273.11182	6.7
286.50784	2.9
287.16449	43.9
287.19977	8.3
291.12451	4.1
291.15878	4.8
305.17389	5.7
309.13116	4.0
311.19974	11.1
327.19452	4.4
329.21045	50.2
339.19516	3.4
343.22632	8.7
345.20526	48.9
357.20383	6.0
363.21353	9.0
367.26273	3.7
371.25848	6.8
377.24774	6.2
395.21381	3.2
395.25818	29.8
413.27051	94.8
431.23874	9.1
431.28030	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	431.2788
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
55.05500	5.9
57.07064	15.4
67.05497	10.8
69.03436	2.4
69.07056	20.0
71.04988	10.2
79.05490	3.9
81.03432	1.3
81.07053	15.8
83.01321	1.4
83.04973	11.6
83.08607	2.4
85.06534	2.7
91.05473	7.3
93.07037	13.1
95.04964	3.9
95.08597	16.5
96.08915	1.2
98.20669	2.6
103.05479	1.5
105.07007	7.7
107.08588	12.0
109.02872	1.4
109.06508	4.1
109.10148	15.7
113.05998	5.1
117.07014	2.7
119.08565	18.8
121.06494	6.0
121.10114	8.4
123.04421	2.4
123.08069	3.0
123.11690	45.7
125.05939	1.5
127.07551	2.3
129.07033	1.7
131.08553	3.8
133.06544	2.0
133.10133	6.2
135.08037	4.8
135.11676	15.1
137.05945	14.4
137.09579	6.1
139.03906	1.8
139.07562	1.6
143.08485	2.1
145.10133	5.4
145.38470	1.3
147.11664	11.3
149.09569	3.9
151.07607	1.5
153.05426	8.4
155.06996	1.4
157.10120	4.6
159.08023	3.3
159.11707	3.3
161.09619	2.5
162.06734	1.6
163.07500	6.2
163.11198	3.9
165.05450	40.2
165.09200	1.9
167.07043	1.4
167.08560	1.3
168.92973	1.3
169.10071	1.4
173.09602	4.4
175.11203	3.2
177.09106	7.2
179.03351	2.3
179.07089	1.6
179.10666	5.3
181.10083	1.7
185.09586	1.7
187.07495	2.2
187.11171	3.3
189.12769	3.4
191.07054	1.5
191.10721	2.0
193.12288	1.8
199.11162	1.3
203.10678	7.1
205.08554	40.0
205.12277	2.1
206.08835	1.9
209.13344	1.5
211.09621	1.4
219.10159	3.3
221.11687	34.2
223.09621	59.9
224.09859	1.4
227.14197	1.3
231.13992	1.6
243.10281	1.6
243.13718	1.6
261.11234	3.3
261.14865	1.3
269.19031	2.2
273.07492	4.3
273.14624	1.5
275.16388	2.1
287.13229	1.7
287.16422	21.6
287.19855	3.7
289.14517	2.3
289.17871	1.9
291.15906	5.6
294.64780	1.3
301.21564	1.9
305.17557	3.0
311.20056	6.7
320.23203	1.5
325.21265	1.7
327.19431	2.0
329.21075	26.7
330.21735	1.8
340.59601	1.3
343.18634	2.6
343.22614	35.8
344.22900	3.5
345.20511	26.7
347.14362	1.3
357.20621	5.3
361.23737	6.1
363.21533	4.2
371.25909	2.2
377.24915	2.1
395.25717	14.2
413.26859	100.0
414.27258	5.8
431.28082	22.0
432.28369	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2789
Annotation	2-O-Methylneovibsanin H
Peak:m/z	Relative Intensity
55.05503	2.9
57.07074	2.7
67.05488	4.3
69.07065	12.0
69.84971	11.1
71.04981	14.2
79.05479	1.7
81.07044	18.2
83.04969	15.5
90.00780	1.3
90.43697	1.4
91.05457	3.5
93.07045	8.2
95.08601	5.4
105.07045	4.4
107.08578	7.8
109.06506	4.0
109.10148	7.7
113.06011	4.9
119.08577	5.1
121.06521	2.2
121.10138	4.0
123.08070	2.0
123.11697	72.8
124.12025	1.5
133.06500	1.6
133.10095	4.4
135.08067	1.9
135.11693	16.8
137.05965	23.0
137.09595	1.9
139.03883	2.4
147.04463	1.7
147.08032	1.6
147.11684	3.7
149.06004	2.0
151.07492	2.9
153.05429	9.7
153.09019	2.0
155.07054	2.2
157.10083	1.9
163.07513	1.9
165.05472	18.3
165.09097	2.9
175.11192	4.0
177.09048	6.1
179.10645	5.2
191.07027	1.5
191.10672	1.8
193.12073	1.8
195.10172	3.6
203.10652	6.4
205.08566	16.5
206.08928	2.6
209.11674	2.3
216.94171	1.4
219.10164	3.3
221.11716	32.9
221.13766	2.5
223.09631	25.0
224.10066	2.9
233.07916	1.8
261.11124	2.7
275.12778	4.0
275.16376	2.5
287.16400	16.5
289.14191	1.8
291.15836	5.7
305.17456	2.5
325.21555	2.4
327.19156	2.3
343.22656	70.8
344.23163	4.2
345.20541	24.1
346.20828	1.7
357.20612	2.2
363.21140	2.8
377.24829	1.7
395.25714	3.9
413.26834	100.0
414.27191	13.3
431.27988	20.8
432.28174	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	431.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91670	0.9
67.05503	2.9
69.03430	1.0
69.07058	43.4
69.67261	1.9
69.67669	5.8
71.04981	0.9
75.82324	0.8
79.05484	2.7
79.66006	0.8
81.07038	2.8
83.01324	1.4
91.05463	2.2
93.07022	11.5
95.08581	2.3
107.08564	5.3
109.10114	3.6
113.05982	1.5
121.06490	3.2
123.11681	2.8
131.08502	1.7
133.10162	0.9
135.08051	2.2
135.11681	10.7
137.05949	1.1
149.09563	2.3
151.07497	0.9
153.05467	10.4
154.34538	1.0
159.08031	2.2
162.06735	1.8
163.07507	4.1
165.05453	21.8
167.07056	1.5
175.07564	1.8
177.05440	1.1
177.09091	6.7
179.07001	21.2
187.07489	1.5
187.11057	0.9
189.09061	1.3
191.06999	6.5
191.10652	3.8
192.07758	3.2
193.08572	4.0
201.09015	1.6
203.07013	4.3
205.08569	36.8
206.08971	1.3
209.11678	1.5
211.09560	4.6
215.10669	3.0
217.08623	1.3
219.10138	16.8
221.11681	5.5
223.09628	34.1
224.10068	1.2
231.10086	10.8
233.11685	2.9
237.11195	19.4
243.10088	11.1
243.13840	1.5
245.11633	1.4
246.09030	1.4
259.13287	2.5
261.11215	19.3
271.13138	6.1
275.16449	3.3
279.15875	1.2
287.16370	91.6
288.16684	4.2
289.14264	11.9
291.15915	1.2
305.17422	32.9
306.17831	2.3
327.19534	10.7
343.19049	2.1
343.22696	4.8
345.20557	57.3
346.20871	3.7
357.20468	14.9
359.82736	1.0
361.20001	3.5
363.21606	100.0
364.21942	8.1
375.21704	9.3
376.21970	1.2
413.26807	12.2
431.18530	2.3
431.27887	17.6
432.28009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
62.84079	0.4
67.05482	1.4
69.03414	1.0
69.07059	26.2
70.79335	1.0
70.79713	0.9
71.04988	0.8
79.05467	1.4
81.07050	3.8
83.01318	2.8
84.55444	0.5
91.05473	2.1
93.07034	6.0
95.04969	0.7
95.08578	1.5
105.07008	1.2
107.08592	6.1
109.06527	1.4
109.10162	2.3
119.08517	0.7
121.06487	3.2
121.10094	0.8
123.08079	0.7
123.11697	18.5
131.08553	2.4
133.10117	0.8
135.08063	4.7
135.11671	9.2
137.06004	2.4
149.05942	0.9
149.09604	4.7
151.07474	0.6
153.05447	6.1
159.08022	5.3
161.05925	1.1
162.06738	5.9
163.07526	8.2
165.05458	51.1
166.05685	1.2
175.07568	1.5
176.08372	0.6
177.05557	1.0
177.09088	13.8
178.09441	0.6
179.06984	4.7
187.07536	5.0
191.07085	2.3
191.10628	2.0
192.07790	1.3
193.08571	1.7
201.09019	0.8
203.07027	2.1
203.10683	0.7
205.08577	63.2
206.08929	2.4
211.09560	2.5
215.10779	0.9
217.08601	1.2
219.10112	5.9
221.11696	26.1
222.12099	0.8
223.09625	100.0
224.09888	2.8
231.10170	2.1
237.11177	6.3
243.10054	2.4
245.11520	0.7
247.09514	0.5
248.57523	0.5
261.11148	4.4
271.13181	2.0
275.16357	1.0
287.16391	46.5
288.16779	2.1
289.14206	3.7
291.15897	6.2
305.17407	12.7
327.19525	3.8
343.18930	1.9
343.22614	8.4
343.73267	0.5
345.20575	53.3
346.20920	2.6
357.20544	6.4
361.20081	1.3
363.21606	26.7
364.21835	1.6
375.21521	1.9
413.26733	6.1
423.39786	0.6
431.27957	3.4
459.70428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2786
Annotation	2-O-Methylneovibsanin H
Peak:m/z	Relative Intensity
55.05489	2.3
56.40537	1.4
56.40902	1.4
57.07070	1.5
67.05493	2.9
69.07059	3.8
69.85654	11.7
71.04990	11.9
79.05476	1.7
81.07040	16.8
83.04968	18.1
87.13503	1.3
91.05486	1.7
93.07021	3.6
95.08592	5.7
107.08586	3.9
109.06546	1.7
109.10148	6.0
113.05972	3.1
116.12183	1.4
121.10171	2.4
123.10776	3.8
123.11685	78.1
124.12041	1.8
133.10124	1.9
135.11676	9.9
137.05951	24.6
147.11707	2.3
151.07602	2.0
153.05463	7.1
155.07048	3.6
157.10164	1.9
165.05487	8.6
167.10684	1.8
175.11150	4.9
177.09108	2.7
179.10660	5.2
194.75252	1.6
203.10686	6.7
209.11713	2.2
221.11710	29.3
221.13770	2.4
223.09613	3.4
275.16403	1.8
287.16220	4.7
291.15930	4.5
298.62463	1.5
323.58609	1.5
325.21359	1.9
343.22626	72.4
343.26819	3.6
344.23001	6.6
345.20737	4.4
361.23730	11.8
413.26791	100.0
414.27017	7.0
431.27884	47.9
432.28000	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	431.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.2
53.03918	0.4
55.01881	0.5
55.05502	0.4
57.03432	0.3
57.07064	0.3
65.03954	0.3
67.01887	0.1
67.05494	1.4
69.03419	0.7
69.07056	23.3
70.07388	0.3
71.04969	0.5
71.19411	0.1
77.03949	0.2
79.05478	1.3
81.03411	0.4
81.07042	2.9
83.01324	4.6
83.04956	0.1
83.08573	0.1
85.02879	0.1
85.74821	0.1
91.05457	2.5
93.03417	0.1
93.07027	5.3
95.04950	0.6
95.08586	1.1
97.02841	0.1
97.10151	0.1
105.04436	0.1
105.07018	1.3
107.04929	0.3
107.08573	6.1
108.08940	0.1
109.02853	1.3
109.06498	2.0
109.10135	1.8
111.04430	0.1
111.11687	0.1
113.05993	0.4
115.05452	0.3
116.06200	0.2
117.06995	0.7
119.04939	0.3
119.08573	0.9
121.06483	3.7
121.10128	1.2
123.04426	0.2
123.08028	0.4
123.11686	11.8
124.12032	0.2
125.05988	0.1
125.09627	0.1
127.03893	0.9
127.11192	0.2
128.06226	0.1
129.06963	0.2
131.04880	0.1
131.08556	2.4
133.06477	0.2
133.10107	0.5
134.07251	0.2
135.04425	0.1
135.08035	5.7
135.11668	8.2
136.08403	0.1
136.12032	0.2
137.05957	3.3
137.09576	0.2
139.03860	0.2
141.05446	0.2
141.06870	0.1
143.08551	0.2
144.05681	0.2
145.06487	0.3
145.10092	0.2
146.07251	0.1
147.04387	0.3
147.08031	0.2
147.11624	0.2
148.05153	0.1
149.05954	1.2
149.09596	5.0
150.09918	0.2
151.07503	0.3
151.11163	0.1
153.05443	4.2
154.05763	0.1
155.07005	0.2
157.10136	0.1
159.08031	6.6
160.08458	0.2
161.05907	0.6
161.09595	0.2
162.06734	6.0
163.07521	10.3
164.07845	0.1
165.05446	78.3
166.05777	1.5
167.06961	0.5
173.09576	0.2
175.07504	0.5
175.57851	0.1
176.08331	0.1
177.05505	0.6
177.09077	18.1
178.09468	0.5
179.07028	1.1
179.08516	0.1
180.09435	0.1
181.05046	0.1
181.08643	0.5
181.09991	0.1
183.06546	0.1
185.09543	0.2
187.07513	5.2
187.11082	0.2
188.07918	0.2
189.05455	0.2
189.09108	0.4
190.06239	0.5
191.07016	0.9
191.10654	0.3
192.07747	0.2
193.08575	1.2
193.15823	0.1
195.10133	0.2
201.08989	0.2
203.07024	1.5
203.10648	0.3
203.34712	0.1
204.07622	0.2
205.08566	78.0
206.08902	1.9
207.06461	0.1
207.10199	0.5
209.11737	0.2
211.09636	2.2
213.09029	0.1
215.10678	0.3
217.08557	0.5
217.12131	0.2
219.10126	1.6
221.11691	36.3
222.12044	1.0
223.09607	100.0
224.09943	2.7
227.10507	0.1
229.08542	0.4
231.10133	0.9
233.11586	0.2
235.09615	0.3
237.11165	1.0
241.15941	0.1
243.10164	1.2
243.13799	0.1
245.11720	0.4
247.09589	0.2
247.13269	0.1
255.13777	0.1
257.11542	0.1
257.15213	0.1
259.13275	0.3
261.11197	0.9
263.12643	0.2
266.17270	0.1
269.15405	0.5
271.13269	0.5
273.14822	0.2
275.13293	0.1
275.16367	0.5
277.14297	0.3
279.15863	0.3
285.14783	0.2
287.16367	32.0
288.16696	1.2
289.14328	0.7
291.15848	7.2
292.16071	0.3
305.17413	3.7
306.17694	0.1
325.18170	0.1
325.21542	0.3
327.19473	1.6
339.19174	0.2
341.20984	0.4
343.18875	1.2
343.22635	2.3
344.19305	0.1
345.20541	31.0
346.20895	1.2
357.20538	4.1
358.20752	0.2
359.22052	0.1
361.19901	0.2
363.21606	1.9
364.21857	0.1
375.21634	0.3
413.26846	1.2
431.20267	0.1
431.27576	0.3
452.51706	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	431.2789
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
55.05493	1.2
67.05477	1.8
68.84911	0.4
69.03407	1.1
69.07059	26.3
69.68478	0.6
69.68887	2.5
70.07378	0.5
71.04987	0.9
74.62863	0.3
77.09942	0.4
78.60485	0.4
79.05487	1.5
80.69156	0.3
81.07034	2.5
83.01331	1.9
85.53584	0.3
88.04355	0.4
91.05473	1.9
93.07036	10.4
94.07381	0.5
95.04965	0.5
95.08600	1.7
105.07004	1.2
107.08588	5.3
109.06465	0.9
109.10126	3.0
111.99805	0.4
113.05981	1.5
115.05403	0.4
119.04889	0.4
119.08536	1.0
121.06480	2.3
121.10140	0.7
123.08084	0.8
123.11676	2.9
123.49153	0.4
131.08568	1.0
133.10126	0.5
135.08063	2.1
135.11676	8.4
137.05959	1.2
139.03935	0.5
141.05438	0.8
145.10088	1.0
147.04300	0.4
149.05934	0.7
149.09567	2.4
151.07521	0.8
153.05440	5.5
157.10081	0.6
159.08081	2.3
159.11736	0.5
161.09518	0.5
162.06757	1.5
163.07516	3.3
163.11185	0.5
165.05457	16.1
165.09097	0.7
167.07019	0.8
173.09598	1.2
175.07536	1.7
176.08293	1.5
177.05498	0.5
177.09071	5.6
177.12744	0.5
179.07019	12.7
181.08617	0.5
185.09648	0.6
187.07578	2.0
189.09099	0.6
190.06247	0.5
191.06989	4.9
191.10651	3.8
192.07816	2.3
193.08543	3.1
200.08334	0.4
201.09079	1.2
203.07036	4.4
203.10643	0.4
204.07732	0.5
205.08575	30.8
206.08908	1.2
211.09622	1.7
215.10689	2.2
217.08534	0.8
219.10139	13.7
221.11671	3.5
223.09624	26.5
224.09956	0.6
225.09222	0.4
228.07996	0.5
229.08577	1.1
230.09338	0.5
231.10156	8.4
231.13815	0.5
233.11671	2.0
237.11197	12.5
238.11485	0.5
243.10144	9.9
243.13805	0.7
243.92015	0.4
244.10649	0.8
245.11703	1.3
246.08670	0.5
247.13379	0.6
256.10791	0.5
257.11737	0.6
259.13248	2.5
261.11185	15.6
262.11639	0.6
263.12689	0.5
265.14334	0.7
271.13254	5.6
275.12961	0.7
275.16306	1.5
285.14529	0.5
287.16382	53.9
288.16736	2.0
289.14270	8.8
291.15790	0.9
305.17422	9.7
305.20895	0.5
327.19504	9.4
327.23145	0.6
343.18921	1.2
343.22690	3.7
345.20560	100.0
346.21021	5.3
357.20560	4.8
361.20074	1.0
363.21609	6.1
375.21683	1.2
413.26816	4.9
431.28040	4.2
432.27939	0.6
445.21613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28688	1.0
65.50636	0.8
67.05493	3.0
69.03434	2.1
69.07056	48.1
70.06980	0.8
70.96078	2.8
71.04979	2.9
79.05486	2.3
81.07038	4.1
83.01337	3.3
86.14014	0.9
91.05455	2.5
93.07022	11.5
95.04961	1.2
95.08573	2.0
103.03847	0.8
105.07005	1.1
107.08578	6.5
107.78691	0.9
109.06493	1.5
109.10140	3.7
113.06006	2.1
119.08546	1.2
121.06490	3.9
123.04417	0.9
123.08038	1.4
123.11688	2.5
131.08621	0.9
135.08041	2.6
135.11665	10.7
149.09586	1.8
153.05428	10.7
153.12698	2.6
159.07928	2.0
162.06779	1.9
163.07533	4.9
165.05441	18.6
165.09052	1.1
173.09622	1.5
175.07504	1.7
176.08240	1.0
177.05563	1.0
177.09096	9.9
179.07008	21.4
179.08502	1.7
187.07504	2.2
189.09087	1.1
191.07011	5.2
191.10674	5.6
192.07768	3.0
193.08585	4.6
201.09007	1.9
203.07059	4.6
205.08568	37.6
209.11743	2.1
211.09645	3.0
217.08586	2.0
218.40395	1.0
219.10150	21.0
221.11633	3.0
223.09622	33.6
229.08574	1.2
231.10094	11.6
233.11638	2.3
237.11180	20.4
243.10179	6.5
245.11690	1.3
261.11182	15.9
263.12640	1.1
271.13266	6.2
275.16345	1.6
279.15808	1.4
287.16370	88.0
288.16809	4.7
289.14301	15.6
301.14133	1.3
305.14114	1.8
305.17429	24.7
327.19556	9.6
343.18845	3.4
343.22668	6.3
345.20554	100.0
346.20984	6.3
357.20529	13.9
361.19897	1.6
363.21597	33.9
364.21689	2.6
375.21558	5.7
413.26761	9.5
431.28012	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	431.2787
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
54.92241	1.8
55.05499	3.0
55.85064	1.8
56.46400	1.8
57.39870	2.1
69.06694	2.5
69.07059	32.7
70.02670	5.9
70.03094	7.1
81.07032	5.0
83.01331	4.7
91.05482	2.8
93.07015	11.0
95.08584	3.2
107.08579	8.2
109.06561	2.1
109.10120	4.8
113.06001	2.1
119.08593	2.5
119.38752	1.9
121.06445	5.1
123.11680	7.4
131.08577	2.3
135.08038	5.1
135.11662	20.7
137.05923	2.6
149.09619	3.5
153.05452	7.9
153.12680	2.0
159.08054	4.3
162.06761	4.9
163.07535	8.3
165.05452	66.2
166.05835	2.4
177.09106	15.1
179.07043	18.2
187.07509	2.5
191.06966	3.3
191.10666	3.4
205.08575	75.0
206.08772	2.4
211.09628	4.3
219.10075	13.2
221.11728	32.8
223.09619	99.7
224.09978	3.3
231.10103	5.7
237.11142	15.2
241.28720	2.1
243.10135	3.4
261.11224	8.8
271.13132	4.2
287.16382	90.8
288.16785	5.9
289.14221	9.8
291.15939	9.3
296.18335	2.1
305.17459	4.7
327.19431	6.4
345.20566	100.0
346.20886	6.4
357.20688	10.7
363.21512	3.8
413.26755	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	431.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59292	1.4
62.72635	1.3
69.07057	34.8
70.00171	7.7
71.42056	1.1
79.05470	1.7
81.07038	2.3
83.01337	3.2
91.05456	2.8
93.07034	9.9
95.08596	1.6
105.07020	1.8
106.99603	1.2
107.08591	7.6
109.10144	4.2
113.05978	1.7
119.08538	1.5
121.06512	2.6
123.11678	6.3
123.27336	1.2
131.08592	1.9
135.08064	2.9
135.11652	7.8
137.05948	2.1
149.09615	4.1
151.07428	1.2
153.05452	5.6
159.08037	2.3
162.06746	2.6
163.07555	4.2
165.05452	39.3
165.09187	2.1
176.08380	2.0
177.09091	10.2
179.06985	14.8
181.08601	1.5
187.07562	2.2
191.07004	3.7
191.10732	1.7
192.07797	3.3
193.08540	3.5
201.09048	1.9
203.06996	2.4
205.08583	49.5
205.10532	2.4
206.08904	1.3
211.09628	2.1
215.10698	2.5
219.10095	15.1
221.11720	19.3
223.09622	61.3
224.09988	2.1
231.10083	6.2
233.11707	2.4
237.11192	9.8
243.10121	10.0
245.11748	1.6
261.11209	15.6
271.13147	3.2
275.16434	2.2
287.16373	70.5
288.16782	4.3
289.14337	8.9
291.15863	5.6
321.86081	1.2
327.19485	5.9
336.19666	1.5
343.18921	3.0
345.20560	100.0
346.20844	5.7
357.20468	10.7
413.26825	3.3
431.18552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45487	0.8
53.03925	1.1
67.05500	1.7
69.07060	21.0
70.81453	3.7
77.95008	1.0
79.05480	1.8
81.07045	4.6
81.86718	0.8
83.01340	4.0
86.68933	0.9
91.05480	2.1
93.07040	6.5
95.08630	1.3
96.59845	1.0
107.08588	7.4
109.02859	1.6
109.06492	2.3
109.10152	2.6
119.08632	1.1
121.06506	2.3
121.10168	1.3
123.11697	27.4
135.08032	3.2
135.11690	9.4
137.05954	3.2
149.09612	2.8
153.05443	5.9
159.08008	4.6
162.06750	3.9
163.07542	9.2
165.05450	73.5
177.09097	15.9
179.06987	1.2
187.07547	4.4
191.07074	1.0
193.08549	2.0
203.07028	1.2
205.08572	72.8
206.08893	1.5
211.09689	3.0
219.10118	2.7
221.11708	41.9
222.12129	1.2
223.09621	100.0
224.10028	3.3
237.11174	2.7
261.11249	1.8
287.16382	35.2
288.72275	1.1
289.14334	2.4
291.15775	7.8
305.17380	3.0
327.19681	2.0
343.18930	1.7
343.22717	3.7
345.20554	36.0
346.21072	1.5
357.20563	5.5
359.90372	1.0
363.21655	1.7
410.50250	1.2
413.26672	1.7
444.86246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.6
66.19543	1.6
67.05504	4.1
69.03410	2.2
69.07059	48.0
69.76057	12.1
69.76453	2.2
71.04946	2.2
81.07041	6.7
83.01331	4.2
91.05441	4.5
93.07034	8.0
93.25166	1.5
95.04908	1.5
95.08589	2.8
105.07005	2.4
107.08582	7.8
109.06483	4.7
109.10125	6.6
113.05996	2.2
119.04953	2.0
119.08527	2.5
121.06496	5.3
121.10113	1.7
123.11698	21.0
125.01799	1.6
127.03972	1.6
135.08035	3.8
135.11650	9.0
137.05966	5.7
139.03923	1.6
143.03334	1.6
149.05940	4.8
149.09621	2.8
153.05446	10.2
159.07991	5.4
161.05913	2.4
162.06731	3.3
163.07457	8.7
165.05449	87.0
166.05818	1.7
167.07031	3.6
175.07527	1.8
177.05489	5.1
177.09103	12.4
179.06990	4.7
181.08560	6.2
184.98630	1.5
187.07463	4.7
189.05420	3.4
189.09122	3.8
191.07011	6.8
193.08589	3.9
203.07018	17.1
204.07597	1.5
205.08569	74.6
205.10509	3.8
207.10030	2.6
215.10754	2.4
217.08572	6.6
217.12065	1.8
219.10106	7.3
221.11690	21.8
223.09616	46.2
231.10100	9.4
233.11688	1.8
235.09583	5.8
243.10124	6.8
244.10643	1.6
245.11690	4.4
257.11884	1.9
259.13220	4.4
259.91660	1.7
261.11252	7.6
271.13135	2.2
275.16428	3.1
277.14362	3.5
285.14612	2.0
287.16403	56.8
288.16663	4.0
289.14185	2.7
305.17413	28.9
327.19443	3.8
343.22617	22.9
344.22546	1.7
345.20605	27.3
357.20242	1.9
363.21606	100.0
364.22028	9.5
375.21552	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	431.2789
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
53.86801	1.9
55.05493	1.7
55.92520	1.6
58.26044	1.6
69.07066	24.9
70.27441	8.8
79.05463	1.8
79.66822	1.5
81.07035	4.8
83.01307	2.1
91.05459	1.9
93.07017	6.8
97.86303	1.6
107.08578	7.1
109.06467	3.5
109.10152	3.5
121.06496	4.0
123.11692	21.0
131.08514	2.0
135.08002	3.0
135.11627	9.7
137.05988	4.1
144.32538	1.7
149.09616	3.4
153.05453	4.1
159.08044	4.1
162.06702	3.2
163.07520	5.2
165.05463	93.9
177.09111	11.8
179.07103	1.9
180.39610	1.6
185.84564	1.7
187.07483	3.8
191.06949	3.1
203.07071	1.7
205.08574	46.5
219.10147	2.1
221.11707	52.7
222.12067	1.8
223.09615	66.5
231.10072	2.2
243.10149	5.9
249.88075	1.7
261.11200	2.9
287.16379	76.7
288.16653	2.7
291.15894	22.4
305.17438	21.4
327.19363	4.0
343.18994	2.5
343.22696	18.8
345.20581	100.0
346.20801	5.0
357.20566	31.0
358.21274	2.5
363.21631	5.2
370.78839	1.8
375.21283	2.3
413.26782	9.8
447.94034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78864	0.9
55.05500	1.6
61.35140	1.0
66.62321	0.9
67.05492	2.2
69.07059	31.2
70.03404	1.7
70.03821	3.9
79.05479	2.4
81.07032	3.6
83.01325	2.2
91.05506	1.2
93.07019	9.6
95.04947	1.5
95.08617	1.9
98.21416	1.9
105.07023	0.9
107.08599	7.2
109.06551	1.6
109.10136	3.4
113.05997	2.3
119.08595	1.1
121.06486	2.1
123.11681	8.8
135.08037	3.0
135.11667	10.3
137.05945	1.8
141.05391	1.0
145.10095	1.2
147.08064	1.4
149.09589	2.6
153.05475	8.4
159.08037	2.3
162.06754	2.3
163.07484	5.5
163.11064	1.2
165.05457	27.1
165.06801	1.9
167.07069	1.5
175.07585	2.1
176.08372	1.9
177.09073	9.7
179.07010	15.6
186.52708	1.0
187.07541	2.9
189.05492	1.3
191.06969	5.0
191.10657	3.4
192.07681	2.4
193.08685	2.4
201.09106	2.3
203.06996	10.2
204.07712	1.1
205.08562	40.6
211.09607	2.5
219.10109	14.3
221.11670	11.1
223.09616	44.6
224.10042	2.1
231.10181	9.8
237.11168	15.5
243.10251	6.0
245.11720	1.4
259.13287	9.0
261.11179	7.8
271.13318	5.1
275.16455	1.9
287.16373	100.0
288.16699	5.5
289.14322	9.2
291.15958	1.3
305.17395	8.5
308.33328	1.1
327.19421	7.9
343.18939	2.5
343.22629	20.9
344.22992	1.7
345.20544	60.1
346.20850	3.3
357.20538	7.4
361.20007	5.6
363.21591	68.7
364.21887	4.3
375.21619	1.7
413.26920	3.5
431.27545	1.6
446.71552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17398	0.6
63.16043	0.7
64.21442	0.7
67.05489	2.4
69.07059	50.9
69.71152	5.2
69.71564	2.1
70.08723	0.7
71.04994	2.0
79.05474	1.2
81.07034	3.0
83.01318	4.0
91.05471	3.2
93.07029	4.5
95.04917	1.0
105.07030	1.7
106.41930	0.8
107.08582	5.4
109.02849	1.0
109.06479	1.2
109.10158	5.9
111.11698	1.2
117.06989	1.0
118.61273	0.8
119.08582	1.0
121.06500	2.9
123.11684	8.1
131.08517	1.8
133.10106	1.6
135.08095	4.0
135.11673	7.2
137.05957	2.2
149.05910	1.4
149.09625	3.1
153.05417	6.5
159.08066	3.4
161.05972	1.7
162.06763	2.6
163.07510	8.5
165.05457	24.2
165.09007	0.9
167.07043	7.5
175.07518	2.2
177.05457	3.0
177.09088	10.6
179.06996	2.3
185.09665	0.8
185.49525	0.8
187.07426	3.9
189.09077	6.1
191.07027	5.5
193.08597	2.1
202.65141	0.9
203.07060	6.6
205.08580	63.8
206.09027	1.3
207.10172	2.8
211.09668	2.5
215.10670	1.4
217.08549	4.5
219.10208	5.2
221.08269	1.4
221.11700	6.5
223.09627	100.0
224.09863	1.4
229.08652	2.9
231.10155	2.5
231.13828	0.7
233.11703	1.3
235.09627	6.9
237.11227	1.2
243.10176	8.7
244.10927	0.8
245.11700	2.2
257.11630	0.9
259.13309	6.5
261.11243	7.2
263.12891	0.9
275.12704	1.2
275.16367	1.7
277.14297	9.0
287.16385	22.3
289.14322	1.7
305.17505	9.6
327.19562	3.5
343.22592	10.0
345.20566	54.7
346.21252	0.8
361.20062	3.2
363.21616	34.5
413.26862	0.9
431.27664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.2
67.05476	3.5
69.07065	28.9
69.12656	2.4
69.54425	16.6
69.54837	5.2
71.05004	3.5
79.05505	4.9
81.07036	4.3
83.01326	5.1
93.07020	9.0
93.99055	1.7
94.17361	2.2
95.08614	5.2
105.07032	6.5
107.08595	10.7
109.06531	4.2
109.10187	4.8
119.08614	3.5
121.06505	3.4
121.10119	16.6
122.10925	7.6
123.11694	17.2
132.25108	2.0
133.10121	3.7
135.08029	4.6
135.11691	9.9
149.09637	3.3
151.07539	2.4
159.08012	4.1
161.05946	2.4
161.69824	1.9
162.06770	5.1
163.07559	9.9
165.05457	66.0
165.09151	2.1
177.09068	12.7
179.07071	2.5
187.07538	4.8
189.05502	2.4
191.07050	6.3
205.08580	64.4
206.08945	3.1
207.06526	15.4
209.08084	7.8
219.10146	6.8
221.08333	2.4
221.11707	40.9
222.08557	3.0
223.06197	4.3
223.09633	100.0
224.10117	4.6
225.07582	8.8
243.10265	2.4
257.08368	2.9
287.16360	37.9
289.14090	3.2
291.15863	16.9
303.12213	7.8
305.17508	4.2
327.15927	4.8
329.17303	5.3
343.22656	3.5
344.19254	2.7
345.16852	10.4
345.20605	44.0
346.17636	5.2
346.21411	3.1
357.20605	4.5
363.17844	2.9
363.21799	3.3
413.26923	15.8
431.27982	5.5
432.07675	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2786
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
53.03914	0.5
63.02543	0.4
67.05499	0.7
68.54880	0.4
69.03419	0.6
69.07059	20.5
69.91187	2.9
79.05497	1.2
81.03410	0.5
81.07038	3.1
83.01334	4.5
91.05480	2.3
93.07027	3.9
95.04935	0.9
95.08549	0.6
105.07029	1.1
107.08575	4.4
109.02845	1.0
109.06518	2.0
109.10128	1.4
119.08542	0.8
121.06473	3.5
121.10146	1.1
123.08069	0.5
123.11700	8.8
127.03853	0.9
131.08583	2.7
135.08049	4.1
135.11668	9.0
137.05971	3.2
149.05931	1.0
149.09598	3.6
153.05431	2.8
159.08046	4.8
161.05940	0.7
162.06728	5.3
163.07509	8.2
165.05455	62.1
166.05801	0.4
167.07037	0.5
173.09674	0.5
175.07469	0.5
177.07549	0.7
177.09093	12.9
179.07068	0.8
181.08636	0.5
187.07509	4.4
190.06265	0.5
191.07030	0.4
193.08594	1.0
203.07030	0.8
205.08572	63.6
211.09642	1.7
219.10187	1.2
221.11697	37.1
223.09618	100.0
224.09933	1.3
240.32614	0.4
243.10143	0.5
269.15396	0.7
275.16446	0.6
287.16379	34.5
288.16730	0.6
291.15875	8.6
305.17456	3.6
325.21609	0.7
327.19604	1.3
341.20782	0.6
343.18881	1.4
343.22672	2.9
345.20566	35.3
346.21005	1.2
357.20544	4.8
363.21420	2.2
375.21725	0.4
413.26767	1.5
446.62537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84975	2.1
55.05502	4.9
60.45111	1.9
67.05486	2.5
69.06686	2.6
69.07060	51.7
69.74162	11.1
69.74590	5.3
71.04988	3.3
81.07041	6.1
83.01340	6.6
91.05499	2.5
93.07047	6.6
95.08592	4.8
97.06435	2.5
107.08575	10.8
109.06493	4.0
109.10129	5.9
111.11670	2.6
119.08574	2.1
121.06487	3.4
121.10142	3.2
123.11707	11.1
131.08574	3.2
135.08032	6.2
135.11659	12.9
137.05981	4.4
148.60245	1.8
149.06012	2.4
151.95726	2.0
153.05446	18.8
159.08052	5.6
162.06749	4.7
163.07562	7.6
165.05461	72.0
167.07010	10.8
170.01085	2.0
175.07578	3.3
177.05495	6.3
177.09065	16.7
177.20898	1.8
179.07005	3.8
187.07484	4.6
189.05367	2.1
189.09087	4.6
191.07022	11.6
193.08591	5.5
203.06958	11.4
205.08577	100.0
206.08994	4.2
207.10176	4.6
211.09637	2.7
217.08583	3.6
219.10361	3.7
221.11694	18.8
223.09627	95.8
223.11832	4.8
224.09988	4.7
231.10114	4.7
243.10197	5.4
245.11668	3.7
259.13239	4.7
259.16925	3.4
261.11255	3.8
275.16324	3.6
287.16370	53.6
287.19348	4.3
291.15863	4.2
305.17380	20.5
343.22607	26.3
345.20569	34.5
363.21469	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	431.2787
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
65.40318	0.6
66.04625	0.6
67.05491	1.1
69.07063	20.7
70.36743	2.2
79.05466	1.6
81.07052	1.3
83.01324	2.6
91.05480	2.9
93.07038	9.9
95.04958	0.9
95.08585	2.2
95.37321	0.6
98.21505	0.7
105.07009	2.0
107.07925	0.8
107.08592	12.2
109.06516	1.8
109.10126	2.3
114.64730	0.6
116.82439	0.6
119.08587	1.2
121.06493	1.9
121.10088	0.8
123.11694	7.4
131.08563	1.8
133.10095	1.0
135.08069	3.5
135.11674	19.0
137.05951	2.1
149.05943	1.0
149.09604	3.8
153.05447	5.1
159.08025	4.3
162.06740	3.8
163.07539	7.7
165.05460	46.5
175.07533	0.7
177.09076	12.8
187.07529	3.4
191.06860	0.7
192.78447	0.6
193.08548	1.6
203.07043	1.5
205.08580	66.3
211.09595	4.0
221.11696	9.5
223.09628	100.0
224.10008	1.4
243.10083	1.1
259.13177	0.8
261.11197	1.0
261.51730	0.6
279.15891	6.4
287.16382	45.5
288.16580	1.1
291.15939	2.2
305.17407	1.2
327.19492	1.9
337.22720	0.7
341.21317	0.7
343.18961	2.4
343.22668	1.7
345.20569	39.6
346.21106	0.7
357.20627	8.0
360.11072	0.7
362.48315	0.7
413.26761	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	431.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82714	1.3
55.01849	1.3
55.05500	1.6
57.07071	2.0
57.52489	1.4
58.32706	1.2
67.05503	3.0
69.07060	27.4
69.96421	7.7
71.04978	5.6
77.03923	1.2
78.40486	1.1
79.05486	2.3
81.07048	7.0
83.01336	5.1
83.04962	2.3
91.05479	3.5
93.07028	11.7
94.74381	1.1
95.08592	4.8
97.06523	5.0
97.10154	1.9
103.90470	1.2
105.07030	3.9
107.08573	11.7
109.06514	2.2
109.10139	5.2
113.05050	1.3
119.08551	2.2
121.06483	3.3
121.10142	5.5
123.11679	22.2
127.03913	1.5
131.08536	2.7
133.10139	1.7
135.08043	4.7
135.11670	14.0
136.11967	1.7
137.05959	3.1
137.09618	2.7
139.33998	1.3
145.10059	1.3
145.29385	1.2
147.11665	1.4
149.05952	1.4
149.09619	4.2
153.05504	7.1
159.08041	5.6
162.06740	2.5
163.07550	7.4
163.11143	1.9
165.05460	64.4
165.09160	2.3
167.07002	1.6
169.04918	1.7
173.09561	3.1
175.07562	1.5
177.05647	1.6
177.09085	14.4
179.06949	3.1
187.07527	4.4
191.06956	2.3
193.08620	2.1
203.07068	1.8
203.10770	1.9
205.08571	69.3
206.08893	3.6
207.10185	3.1
217.08667	3.1
219.10101	4.3
221.11691	37.9
222.12056	2.5
223.09621	100.0
224.09976	4.9
231.10181	1.8
235.09618	2.0
237.11139	2.6
243.09993	2.1
245.11606	1.7
261.11160	2.1
267.74121	1.3
269.15222	1.7
271.13159	1.4
275.16504	2.0
277.10681	1.5
285.15030	1.5
287.16370	39.8
288.16837	3.1
289.14291	2.2
291.15778	10.1
305.17310	8.5
327.19370	2.4
332.64935	1.6
343.18918	2.5
343.22595	8.5
345.20517	41.3
346.20853	3.6
357.20612	9.5
358.20901	1.6
363.21521	8.9
375.21722	1.7
395.25650	1.7
413.26801	53.6
414.27145	4.5
431.27774	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	431.242
Annotation	CJ 15544
Peak:m/z	Relative Intensity
51.62563	0.6
53.03929	0.9
54.47439	0.5
55.01849	1.6
55.05487	2.5
57.07071	2.7
59.04963	0.7
59.32653	0.5
65.03915	1.2
67.05492	8.9
69.03406	4.0
69.07047	4.9
70.40056	1.9
71.04982	9.0
77.36095	0.5
79.05479	4.0
81.03368	0.8
81.06680	0.5
81.07046	5.3
83.01325	1.4
83.04953	1.7
83.08592	0.5
85.02859	0.6
85.06518	4.8
91.05455	5.5
93.06512	0.9
93.07024	10.0
95.04953	10.3
95.08572	3.8
97.06525	3.2
99.08085	0.7
101.02691	0.6
103.05437	0.5
104.87347	0.6
105.07002	7.7
107.04917	1.3
107.08573	14.0
109.02858	0.9
109.06498	4.3
109.10114	3.3
111.04406	0.6
111.08030	1.2
113.05984	20.9
115.05449	0.6
117.06963	1.7
119.04948	0.7
119.08552	4.4
121.06493	4.5
121.10145	5.3
122.20435	0.6
123.04388	3.1
123.08071	2.9
123.11683	3.2
125.02274	0.7
125.05966	0.9
125.09619	1.9
127.07575	0.7
129.06979	2.1
131.08517	3.5
133.06497	3.6
133.10115	5.8
135.04408	0.9
135.08012	3.3
135.11667	14.0
137.02296	0.7
137.05945	1.9
137.09579	2.0
139.03886	0.6
139.07486	1.1
141.05414	0.9
141.06987	1.1
142.07770	1.1
143.08511	2.2
145.06453	2.2
145.10098	2.4
147.07997	2.1
147.11639	1.8
149.05949	4.7
149.09599	1.6
149.13220	1.1
151.03908	1.0
151.07520	2.5
153.05484	2.9
153.06718	0.5
155.03345	0.8
155.08531	1.9
156.09285	0.9
157.06482	0.9
157.10054	2.6
159.08063	2.6
159.11671	2.8
161.05920	4.1
161.09584	1.3
162.06725	1.1
163.03859	0.6
163.07512	1.7
163.11151	1.3
165.05463	6.9
165.06845	0.9
165.09116	1.0
167.07027	4.0
167.08339	1.0
169.04929	0.9
169.06419	0.7
169.10121	1.7
171.08008	2.0
171.11601	2.9
173.05898	0.7
173.09593	2.3
175.07481	4.6
175.11154	4.8
177.05450	8.9
177.09094	2.7
177.12708	1.8
179.07030	6.9
179.08482	1.0
181.08591	0.9
181.10101	1.6
183.06548	1.1
183.08049	0.9
183.11671	2.2
184.08902	0.8
185.06017	1.0
185.09584	2.4
185.13235	2.5
187.07507	1.6
187.11118	2.0
189.05440	1.5
189.09108	2.0
189.12621	0.7
191.06985	2.0
191.10651	1.6
193.04926	0.9
193.08470	1.3
193.10104	1.4
195.06476	6.3
195.07909	0.6
195.11697	1.2
196.08804	0.6
197.08022	11.0
197.09621	1.3
197.13167	0.7
199.07494	0.8
199.11197	3.3
201.09138	3.2
201.12712	2.0
202.09637	0.9
203.06976	7.4
203.10632	2.6
203.14386	0.8
205.08548	7.9
205.10222	0.9
207.06516	4.4
207.11603	1.5
209.07999	0.8
209.13249	1.0
210.10350	0.9
211.05898	0.9
211.07672	0.6
211.11125	2.2
212.08279	0.9
212.12003	0.8
213.09109	2.9
213.12700	2.2
215.07057	1.1
215.10558	2.7
217.08560	1.3
217.12199	1.8
219.06400	1.9
219.10107	2.4
220.12334	0.7
221.07997	6.4
221.09964	0.6
221.11653	2.3
221.13484	0.7
223.09520	7.4
225.07513	1.9
225.12750	2.2
227.10648	5.5
227.14297	1.4
229.12201	1.7
231.06624	0.8
231.10098	2.5
231.13779	0.8
233.07899	1.0
233.11673	0.8
235.11137	0.9
237.12903	1.0
237.16371	1.6
239.10878	4.0
239.14275	0.8
240.11296	0.8
241.08537	0.7
241.12189	1.8
241.15668	0.8
243.10114	2.2
243.13733	1.5
245.11682	6.9
249.10880	1.0
251.10596	0.9
253.12186	2.5
253.15897	1.1
255.10112	11.5
255.13841	2.7
255.17409	2.0
257.11707	1.8
259.13535	0.6
261.11316	1.8
263.10519	0.7
263.14526	1.1
264.14874	0.7
265.12158	1.5
265.15823	2.1
267.13779	0.9
269.15201	0.8
271.13269	3.6
271.16635	0.9
273.11179	32.1
273.14322	1.3
274.11475	1.5
275.12701	1.5
278.12845	0.7
279.17407	1.7
281.15244	2.4
283.13708	0.7
283.16821	3.0
285.14789	0.8
287.16376	4.7
289.15778	0.8
290.13257	0.8
291.12158	16.4
294.12582	0.7
295.16800	1.1
297.13300	7.4
297.18338	4.3
299.16376	1.5
301.17984	3.0
305.15167	1.3
306.16165	1.0
307.16849	4.5
309.13168	51.0
310.13599	2.2
313.18082	0.7
315.19608	2.9
323.16364	5.2
324.17172	9.8
325.17908	15.6
326.18314	0.9
327.15808	1.5
341.17352	4.7
343.18964	11.1
344.18817	0.6
345.16766	1.4
345.20605	4.8
349.21661	2.4
353.21149	0.9
355.18982	0.9
359.19815	1.2
361.20081	2.1
363.21762	0.7
367.22784	3.1
369.24353	1.5
371.22073	0.8
377.20972	7.5
385.23950	1.1
395.22092	19.1
396.22418	1.5
413.23120	26.5
414.23596	0.9
431.24197	100.0
432.24454	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	430.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.01865	10.6
57.03432	7.4
57.30650	0.8
60.04487	0.9
61.02911	6.5
67.05496	2.4
68.99774	3.1
69.03422	37.2
69.07054	3.2
70.06585	1.6
71.04984	5.4
73.02910	9.5
79.05478	1.9
81.03407	37.2
81.07026	5.4
83.01323	1.4
83.04956	1.4
84.24996	1.0
85.02896	100.0
87.00819	35.1
87.04448	2.2
91.03938	3.4
91.05441	2.4
93.07025	2.2
95.04957	2.0
95.08580	1.8
97.02251	2.0
97.02879	39.3
97.06480	1.0
98.06016	1.2
99.04452	16.6
103.03933	1.2
105.01852	33.4
105.07014	6.4
107.04966	1.2
107.08583	2.7
108.04471	9.3
109.02869	37.8
115.03915	2.1
117.01838	5.3
117.07001	1.7
119.08515	1.5
121.06471	1.5
125.06038	0.9
126.05474	6.1
127.03899	74.8
129.01814	5.8
131.08556	1.6
133.06456	4.6
133.10086	1.6
137.05966	15.9
145.04941	38.3
145.10031	1.6
147.02866	4.1
147.11688	1.2
149.05937	2.6
151.03914	1.7
151.07521	1.0
157.06488	1.6
159.02878	27.8
159.07954	1.1
159.11638	1.2
165.05568	1.2
165.09120	11.6
167.07161	1.0
168.03798	0.9
169.77354	0.9
174.50551	1.0
177.03951	1.2
177.09047	6.2
185.09483	1.4
187.14787	1.6
189.03926	3.6
189.07594	1.1
189.09059	6.7
191.10643	2.2
201.09093	1.1
205.08621	3.1
206.08900	1.9
207.10085	2.3
212.05605	1.9
213.03894	3.2
215.14403	1.9
217.08412	1.2
219.04927	1.1
219.10034	1.2
223.09595	2.7
229.08824	1.1
230.06638	1.7
231.04990	14.9
231.10092	2.8
233.15363	3.6
248.07651	5.2
249.05833	2.0
255.10170	2.5
266.08743	1.6
268.16806	2.6
269.17471	1.2
273.11133	3.2
274.10886	0.9
287.05453	2.1
291.12207	2.5
326.18112	2.3
344.19403	5.1
362.20419	2.7
430.21112	2.0
430.26736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.2
57.03431	17.9
57.07067	13.1
59.04993	1.4
61.02914	11.6
63.04175	1.9
63.04480	20.8
69.03421	25.1
69.07065	1.2
69.61886	1.0
70.06586	7.7
71.01338	4.3
71.04999	2.0
71.06939	1.1
71.22034	2.8
73.02908	60.0
81.03410	3.3
85.02893	57.1
85.03409	2.9
86.09700	8.8
87.04468	4.2
91.03927	1.9
96.04473	4.9
97.02876	48.1
99.04451	2.2
103.03950	2.2
109.02879	3.9
114.05545	7.3
115.03911	22.5
116.07066	2.2
119.10678	100.0
120.11030	2.2
123.04399	1.2
127.03895	17.7
133.04947	30.0
144.60519	1.1
145.04936	25.8
147.04424	1.4
150.07579	2.5
163.06023	10.9
165.05615	1.2
169.04935	1.1
177.05446	2.4
188.39241	1.1
193.04977	2.0
199.06143	1.2
199.18054	1.7
215.12830	2.2
217.07124	1.4
223.06032	4.8
229.15424	1.5
241.07086	5.5
251.14871	6.3
259.08142	9.0
277.09250	2.9
281.15909	4.6
295.10156	4.6
307.53165	1.3
430.15125	2.0
430.21350	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	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01865	10.3
57.03431	6.7
58.47900	0.6
60.04511	0.9
60.58755	0.5
61.02920	6.6
68.23714	0.5
68.99780	3.9
69.03418	31.0
69.58464	3.3
69.58899	2.6
71.01334	0.7
71.04981	6.6
73.02902	9.6
79.05511	0.6
80.05011	1.3
81.03406	34.1
81.07028	0.6
83.01330	0.8
83.04982	0.8
84.04475	0.7
85.02892	100.0
86.03220	0.8
87.00817	31.1
87.04440	1.2
91.03939	2.5
91.05480	0.8
93.07032	0.9
97.02881	40.3
98.06036	1.2
99.04438	17.2
101.02387	0.9
105.01851	34.7
105.07024	1.5
108.04460	10.6
109.02866	36.3
110.03242	0.7
115.03913	1.7
117.01825	5.0
117.07114	0.5
124.05146	0.6
125.07773	0.6
126.05512	5.3
127.03900	81.0
128.04251	1.0
129.01825	5.2
137.05974	3.0
144.06589	0.8
145.04939	46.8
147.02875	4.1
157.06482	0.8
159.02873	30.4
159.11717	0.9
165.09055	1.7
175.83334	0.6
177.03886	1.7
177.09108	0.9
189.03865	1.7
189.09109	6.0
201.08949	0.8
207.10129	2.4
212.05481	0.8
213.03894	3.1
215.10654	0.8
230.06645	3.6
231.04973	19.0
231.10118	2.6
248.07623	6.7
249.06004	2.0
255.10194	1.3
266.08685	1.7
267.59152	0.6
273.11087	2.5
329.91074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03931	0.8
55.05505	3.2
57.03396	0.6
57.07069	18.5
59.13743	0.5
60.88454	0.5
67.05491	4.7
68.57343	0.5
69.03380	0.8
69.07058	9.1
70.15281	1.4
70.15669	1.0
70.37047	0.5
71.04977	1.1
71.08244	0.8
71.08619	12.1
79.05467	1.9
81.07049	7.6
82.80138	0.5
83.01341	1.2
83.04948	0.8
83.08614	2.9
85.10164	5.6
87.70132	0.5
91.05462	2.3
93.07033	3.5
95.08597	7.8
97.10146	2.3
98.21389	0.6
102.13881	0.5
105.07021	3.5
107.08569	7.0
109.10141	5.8
111.04423	1.5
111.11696	0.9
117.07011	1.5
119.08563	3.6
120.09371	0.5
121.06532	1.0
121.10120	5.7
122.07281	1.1
123.08068	1.1
123.11664	1.5
125.05954	0.7
129.06947	0.8
131.08556	3.0
133.10152	3.7
135.08037	6.2
135.11714	2.7
137.05963	0.7
137.09602	11.4
139.07529	2.5
143.08562	0.7
144.11314	0.5
145.10143	1.6
147.11613	0.9
149.09598	13.8
149.13246	1.0
150.09938	0.6
151.07578	1.4
159.08044	1.8
159.11681	2.2
160.08720	0.8
161.09641	1.0
161.13185	0.6
162.06740	1.6
163.07532	1.8
163.11168	21.4
165.09093	100.0
166.09387	1.5
171.82065	0.5
173.09570	2.8
173.13226	2.1
174.10304	1.0
175.07570	1.0
175.11151	6.4
176.08307	1.7
177.09079	13.3
177.12669	2.5
179.10641	1.8
185.09567	1.0
186.10397	1.0
187.11110	2.4
187.14787	0.8
189.09052	0.9
189.12737	2.2
190.09828	0.9
191.06993	1.0
191.10641	10.0
193.12123	0.7
195.06609	0.6
201.12738	3.1
203.10672	1.8
203.14212	0.8
204.11433	0.8
205.08594	8.8
205.12215	10.2
206.12553	0.6
209.07834	0.5
209.13214	0.6
215.14304	2.2
218.16238	0.5
219.13744	5.0
223.09631	10.9
224.10059	0.6
233.15344	2.6
239.14557	0.6
247.16939	1.3
257.18942	0.6
261.18530	1.5
265.12210	0.8
269.11862	0.6
275.20026	1.1
289.21616	2.0
291.15833	0.9
292.14429	0.5
297.18451	0.6
301.14240	1.0
303.23093	1.8
307.16940	1.8
310.91202	0.6
317.24713	1.0
325.18008	4.2
331.26248	1.0
343.18979	12.4
344.19305	0.9
359.29465	1.2
361.20032	6.4
373.30981	1.6
375.22742	1.2
393.24133	0.7
401.34058	2.5
411.25049	1.3
411.36179	2.1
429.26758	1.6
429.37210	54.5
430.37790	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	429.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.05503	1.8
56.74786	1.5
60.40426	1.1
65.75470	1.2
67.05483	2.7
67.29246	1.1
67.85903	1.2
69.07062	39.7
69.27625	1.1
69.61269	6.0
69.61704	5.8
69.71142	1.2
71.04978	1.3
81.07033	1.5
81.94170	1.3
83.01323	4.7
88.87833	1.2
91.05476	3.9
93.07033	7.4
95.08602	9.4
97.10123	1.8
98.95834	1.3
105.07015	8.8
107.08571	9.5
109.10135	3.2
117.07010	1.5
119.08588	1.6
121.06486	3.4
121.10117	9.7
131.08556	1.6
133.10114	12.3
135.08020	5.0
137.05971	1.5
143.08514	1.4
145.10094	3.6
147.11757	2.8
149.09586	3.5
151.03882	1.3
159.08072	4.8
162.06712	2.3
163.07527	5.3
163.11191	2.7
165.05470	4.8
169.10097	1.4
173.09602	4.8
175.11163	6.1
177.09103	11.9
179.07002	3.1
187.07547	2.3
191.06940	3.6
205.08572	58.1
209.13301	2.7
213.12691	1.2
219.10091	1.6
223.09627	74.3
231.10062	2.4
239.14253	1.7
241.12140	1.6
247.13052	1.4
249.11241	4.4
251.14253	1.9
251.17996	2.6
255.13783	1.6
265.12201	4.4
267.13904	1.4
269.11725	3.7
273.14777	3.1
277.12234	2.2
279.17462	2.3
283.13293	4.7
285.14648	1.7
287.12604	1.8
291.15750	9.3
292.14496	1.9
301.14377	5.8
307.16946	10.1
319.16940	2.3
325.17926	25.6
326.18015	1.7
337.17953	4.6
341.21198	2.3
343.18991	100.0
344.19336	3.6
361.20044	67.8
362.20160	2.6
375.23334	6.8
393.24173	5.4
411.25381	11.5
429.26404	25.3
429.37164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	4.6
57.22301	3.3
64.37224	3.1
67.05487	9.8
69.03416	3.9
69.07056	53.8
69.65134	24.9
69.65549	6.7
79.05479	7.3
81.07053	6.7
83.01334	8.2
88.74686	3.3
91.05469	7.2
93.07042	12.0
95.04940	4.1
95.08592	12.4
98.20721	6.8
101.95771	3.1
102.44293	3.4
105.07002	17.8
106.60065	3.3
107.08569	25.8
109.06505	6.7
109.10137	14.9
111.11722	4.7
112.60819	3.4
119.08592	6.6
121.06519	4.2
121.10107	25.9
123.11703	14.0
127.03920	3.5
131.08582	4.7
133.10117	37.0
135.08038	7.1
135.11639	16.3
137.05951	3.9
142.07793	3.2
145.10114	4.8
151.11145	5.0
159.07983	4.6
161.09689	3.7
163.03831	6.1
163.07530	10.0
163.11174	9.8
165.05450	42.5
174.96886	3.2
177.05533	3.6
177.09099	11.6
179.06943	4.7
181.08658	5.6
189.09184	3.5
191.06972	8.0
201.09038	3.6
205.08568	61.1
219.10075	19.7
221.11530	4.3
223.09621	44.2
229.08629	5.6
235.09659	4.0
239.14313	6.0
243.10132	12.2
245.11742	5.6
267.13770	19.6
275.12817	3.6
285.14798	80.8
301.14322	5.2
303.15906	40.9
325.17960	21.2
341.21036	53.3
343.18994	100.0
344.19336	6.7
359.18283	4.9
359.22205	10.2
361.20013	68.6
373.20062	6.4
393.24228	6.1
411.25198	18.7
429.26407	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	429.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17260	1.0
55.05497	2.4
67.05493	3.6
69.06702	1.9
69.07060	30.1
70.32589	2.2
70.32984	2.4
79.05497	1.1
83.01337	4.7
88.72118	1.1
91.05475	2.8
93.07011	3.3
95.08589	7.9
97.10152	2.0
105.07011	8.7
107.08576	9.2
109.10164	2.5
119.08528	1.9
121.06455	1.3
121.10143	4.0
122.16886	1.1
123.08081	1.8
131.08580	1.8
133.10104	12.3
135.08051	3.9
135.11713	2.1
143.08604	1.6
145.10089	2.5
149.09612	2.1
155.37692	1.1
157.10085	1.2
159.08018	2.2
162.06769	1.1
163.07552	3.9
163.11217	1.3
165.05350	1.8
169.04932	1.3
169.10143	1.3
173.09613	4.4
175.11183	6.2
177.09071	8.3
181.10019	1.1
183.87836	1.1
184.93182	1.2
191.07019	3.0
191.10619	1.5
205.08571	31.9
205.10478	1.7
206.08884	1.3
209.13255	2.0
219.10143	3.3
221.13383	1.6
223.09621	35.2
229.12239	1.1
231.10135	2.1
237.12758	3.8
239.14388	2.3
247.13274	1.3
249.10953	2.4
251.14410	1.3
251.17877	4.0
264.15097	1.5
265.12238	4.7
267.13965	2.6
269.11774	2.4
277.12216	3.1
279.17584	3.0
283.13275	2.2
285.14810	2.4
291.16083	1.3
292.14499	1.7
301.14420	3.1
307.16989	12.1
319.16931	2.3
323.20148	1.7
325.17941	38.7
326.18283	1.5
337.17795	5.4
341.21069	5.2
341.54550	1.2
343.18985	100.0
343.40173	1.1
344.19583	2.9
347.24017	1.3
361.20078	24.8
362.20523	1.6
375.23300	10.4
393.24283	4.8
411.25156	8.7
429.26291	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.35271	0.8
67.05498	3.1
67.71578	0.8
69.07062	28.8
69.82088	6.6
69.82421	1.4
71.04990	1.5
79.05502	1.1
83.01336	3.6
91.05469	3.0
93.07030	3.2
95.08595	6.9
98.92553	0.8
100.85884	0.9
105.07005	5.6
107.08582	9.9
109.10114	2.1
119.08505	1.1
121.06495	1.7
121.10138	9.9
128.52954	0.8
130.39752	0.8
131.08540	1.8
133.10104	10.8
134.44281	0.8
135.08040	2.0
135.40121	0.8
143.08519	1.1
145.10088	1.0
147.11604	0.9
148.50641	0.9
149.05986	1.0
149.09619	1.8
153.05421	1.9
157.10152	1.1
159.08028	2.6
162.06721	1.2
163.07509	4.6
165.05481	2.3
173.09610	1.8
175.11140	4.0
177.09073	9.3
179.06934	1.3
187.07576	2.5
191.07002	3.8
201.09233	1.0
201.85178	0.9
203.10696	1.2
205.08574	50.0
206.08934	0.9
209.13168	1.1
219.10118	2.0
221.11723	1.6
223.09619	68.3
224.09927	2.1
231.10132	2.6
237.12827	1.3
246.35291	0.8
249.11148	4.3
251.14276	0.9
251.17789	1.5
255.13795	1.3
261.64444	0.9
265.12274	2.3
269.11780	2.2
273.14795	1.6
277.12213	1.6
279.17374	1.3
283.13309	2.9
287.12833	1.2
292.14645	1.0
295.13425	1.1
297.18320	1.0
301.14243	5.8
307.16962	6.1
315.16037	0.8
319.17099	1.0
321.19028	1.2
325.17929	17.3
337.18015	1.7
341.21164	1.2
343.19000	100.0
344.19348	4.8
361.20035	58.5
362.20438	3.1
373.41193	1.1
375.23056	2.2
393.24164	2.3
411.25430	5.0
429.26346	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	429.263
Annotation	Graviphane
Peak:m/z	Relative Intensity
55.05506	2.8
63.22958	1.6
67.05499	3.6
69.07056	40.7
69.80228	10.9
69.80586	1.9
71.04973	3.6
79.05479	4.1
81.07049	2.4
83.01332	5.5
88.92979	1.3
91.05462	4.4
93.07027	9.8
95.04948	2.2
95.08594	12.6
97.10136	2.2
98.20704	2.9
105.07009	9.5
107.08574	19.7
109.10128	3.7
117.07079	2.1
119.08547	3.7
121.06453	4.3
121.10120	25.6
123.08031	1.4
131.08566	3.8
133.10089	13.5
135.08063	4.5
135.11687	6.9
139.11250	1.3
145.10088	7.6
147.11699	2.8
149.09599	4.1
157.04965	1.6
157.10121	2.2
159.08072	7.6
159.11734	1.6
162.06747	3.8
163.07529	8.4
163.11142	15.1
165.05421	7.3
173.09612	4.3
175.11151	5.2
177.09108	12.7
179.07022	2.3
183.11693	1.8
185.09723	1.5
187.07481	4.0
191.07045	4.5
195.11661	1.7
197.13242	2.0
199.11127	1.6
201.09100	5.0
203.10727	2.8
205.08574	64.9
209.08047	3.3
209.13181	1.7
219.09987	1.6
221.11691	3.9
223.09605	80.7
224.09996	1.7
225.09213	2.9
231.10204	4.1
237.12852	2.3
239.14523	1.9
245.11531	1.5
247.13335	2.7
249.11208	5.3
251.17929	3.9
253.12090	2.0
255.13652	1.8
265.12286	5.2
267.13931	3.2
269.11716	5.0
271.13202	3.7
271.20404	1.7
273.14856	4.9
276.14984	1.5
277.12262	2.6
279.17319	3.0
281.18793	2.3
283.13333	4.5
285.14783	4.5
289.14240	2.5
291.15900	12.4
292.14374	1.9
301.14325	5.7
307.16876	9.3
319.17007	2.7
321.18427	1.7
323.20001	2.1
325.17932	24.3
337.17935	4.7
341.21146	4.4
343.18985	100.0
361.20016	69.8
375.23111	9.0
393.24246	9.7
411.25220	13.5
429.26306	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.1
63.34750	0.9
67.05482	1.8
69.03416	1.5
69.06702	1.8
69.07057	28.5
69.63013	8.8
69.63396	1.4
71.04978	2.3
76.03226	1.0
77.03780	1.0
79.05497	2.1
80.14191	0.9
81.07024	1.3
83.01333	3.8
91.05435	4.8
92.50646	1.0
93.07018	3.0
95.04965	2.4
95.08585	8.0
97.10161	1.7
105.07017	9.5
105.07677	1.4
107.08572	10.3
109.06522	0.9
109.10145	2.7
119.08591	1.3
121.06488	1.5
121.10139	6.1
123.04393	1.3
123.11694	1.8
131.08556	2.6
133.10089	11.4
135.08025	4.6
143.08572	1.3
149.06058	1.0
149.09596	2.7
149.21851	1.1
153.05392	1.3
159.08038	2.5
159.11716	1.3
162.06712	1.8
163.07507	3.9
165.05536	1.2
166.05858	1.0
169.10136	1.2
173.09599	5.1
175.11194	6.1
177.09070	7.6
179.06967	1.2
182.10973	1.1
183.11650	1.1
187.07486	2.0
189.09111	1.3
191.07062	2.4
195.11601	1.3
197.13168	2.3
205.08566	39.6
207.11661	2.1
209.13326	2.4
219.10150	2.8
221.13280	1.7
223.09602	40.5
223.14842	1.1
225.09087	1.4
225.12646	1.2
229.12296	1.1
231.10095	2.1
237.12741	3.3
239.14252	1.8
247.13252	1.9
249.12796	3.0
251.14119	1.5
251.17912	2.8
255.13766	1.3
261.13004	1.1
261.16302	1.1
264.15222	1.2
265.12210	6.2
265.52435	1.1
267.13727	3.4
269.11768	2.5
269.15118	1.3
272.76981	1.2
273.14740	1.1
277.12207	2.8
279.17419	2.9
283.13217	4.4
285.14816	3.1
291.13141	1.2
291.16043	3.1
292.14603	1.9
297.18347	1.8
301.14307	4.4
307.16998	10.6
319.16959	3.0
323.19852	1.8
325.17926	37.7
326.18127	2.3
337.18008	5.5
341.21133	2.8
343.18976	100.0
344.19296	3.2
345.23376	2.5
361.20029	30.7
375.23090	12.2
393.24338	5.7
411.25162	9.4
429.25989	5.7
446.50537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	2.8
69.03432	1.5
69.07063	25.9
70.04375	2.4
70.04799	4.1
71.04984	2.1
81.07063	1.5
81.95914	0.9
83.01329	4.0
88.22311	0.8
89.34504	0.9
89.62694	0.9
91.05448	3.7
93.07022	3.8
95.04930	1.4
95.08585	6.3
97.10158	1.0
98.21391	1.3
100.37569	0.9
105.07018	8.1
107.08578	7.6
109.06518	1.1
109.10133	3.9
117.07033	1.3
119.08531	1.0
121.06496	1.6
121.10149	5.1
123.04429	1.4
131.08597	1.1
133.10115	12.5
135.08078	4.6
135.11655	1.7
145.10097	2.5
146.79936	1.0
147.11688	1.7
149.09610	2.1
151.07436	1.1
157.10146	1.0
159.08025	3.3
159.11641	1.8
162.06697	2.3
163.07520	4.0
165.05536	1.7
168.09381	1.0
169.10020	1.2
173.09676	4.9
175.07597	1.4
175.11156	6.0
177.07761	1.1
177.09096	7.0
179.07011	1.3
183.11662	1.0
187.07465	2.6
191.07005	2.6
191.10603	1.3
195.11642	1.3
197.08055	2.0
197.13211	1.0
201.09140	1.9
205.08568	38.2
209.13188	1.6
211.14772	1.5
219.10106	2.2
221.11530	1.2
223.09627	41.5
231.10060	1.2
237.12733	3.2
249.10916	2.1
249.13101	1.3
251.17874	3.2
255.13736	1.0
264.15021	1.7
265.12222	5.0
267.13736	3.2
269.11765	2.2
269.15225	1.2
273.14886	1.5
277.12122	2.5
279.17587	2.1
281.18869	1.0
283.13257	3.4
285.14850	3.4
287.12811	1.7
289.14673	1.2
291.15891	4.4
292.14658	1.7
295.13055	1.5
297.18344	1.3
301.14194	5.1
307.16928	9.6
309.31314	1.0
319.17047	1.5
323.20029	2.3
325.17960	35.8
326.18420	1.2
337.17892	5.8
341.21097	2.4
343.19006	100.0
344.19467	4.5
361.20047	33.6
375.23148	8.9
385.58340	1.0
393.24231	8.0
411.25409	8.3
429.26297	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	429.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
58.29366	0.9
67.05505	1.8
69.07060	28.1
70.69514	2.3
71.04980	1.2
81.07043	1.2
83.01347	2.6
91.05463	3.1
93.07036	2.7
95.08591	6.4
105.07000	6.7
107.08587	9.2
109.06560	0.9
109.10172	2.1
117.06956	1.1
119.04174	1.0
119.08627	1.6
121.06371	1.1
121.10138	9.8
131.08565	2.4
133.10109	10.0
135.08063	2.2
145.10057	1.3
149.09618	1.9
153.05417	1.6
157.10164	1.7
159.08046	2.5
162.06749	2.6
163.07509	4.5
165.05495	1.6
167.42017	0.9
173.09564	2.0
175.11177	2.9
177.09090	9.0
179.06993	1.4
185.68707	0.9
187.07562	2.4
189.12762	0.9
191.07007	3.8
203.10709	1.3
205.08574	51.9
209.13361	1.3
219.10081	1.8
221.11620	1.6
223.09616	61.7
224.09978	1.7
231.09976	1.7
249.11005	5.7
251.17902	1.5
253.51570	1.1
265.12381	2.0
269.11707	2.9
273.14734	1.9
277.12167	1.5
279.17557	1.4
283.13290	3.7
285.14697	0.9
287.12805	1.3
301.14188	5.2
307.16870	4.0
313.52014	1.1
325.17969	17.0
337.17932	1.5
340.47549	1.0
341.20831	1.1
343.19003	100.0
344.19336	7.2
359.22122	1.4
361.20059	64.0
362.20303	3.2
375.23138	4.4
387.08432	0.9
393.24274	2.9
411.25134	4.1
429.26248	10.4
430.26590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2631
Annotation	Graviphane
Peak:m/z	Relative Intensity
51.12148	1.4
55.05503	3.6
56.65963	1.7
59.04996	12.1
67.05502	8.6
67.05824	1.9
69.03426	1.9
69.07059	17.7
69.91924	4.1
69.92326	5.3
71.04984	13.4
79.05472	2.8
81.07031	3.2
81.47064	1.6
83.01319	4.2
91.05460	5.3
93.07002	9.2
95.04948	2.5
95.08603	14.1
105.07001	8.5
107.08576	12.0
109.06501	2.9
109.10148	11.1
119.08528	3.1
121.02850	1.8
121.06482	3.4
121.10128	7.9
123.08055	10.2
123.11696	4.5
129.06998	2.0
131.08557	3.4
133.06470	2.4
133.10106	10.5
135.04385	3.9
135.07999	2.4
135.11644	10.8
142.07726	7.5
143.08513	2.3
145.10101	4.5
147.11684	2.7
149.05983	2.1
149.09610	6.5
149.13277	4.3
153.05397	3.4
157.10103	6.5
159.08051	3.0
161.13277	3.1
163.07535	3.7
165.05443	3.7
165.09085	4.2
173.09604	5.9
175.07567	3.5
175.11113	4.1
177.05484	11.0
177.09084	13.3
179.07048	6.0
185.09586	2.4
187.07568	3.2
189.05447	2.3
191.06993	3.8
191.10603	7.6
193.04970	16.9
195.06480	4.5
195.10269	1.8
199.11053	1.9
201.09007	9.0
203.07066	4.6
203.10686	2.1
205.08540	19.5
211.05978	32.9
211.09325	1.8
215.07013	7.7
215.10614	2.2
217.08519	3.0
217.12233	6.2
219.10143	21.0
221.07994	4.7
223.09656	12.7
225.12718	2.6
227.10939	2.2
229.08583	40.1
231.10139	30.7
233.08057	6.0
235.13142	8.6
237.11244	5.6
240.77336	1.7
241.08562	2.4
243.10162	5.8
243.13791	4.2
247.09593	24.0
249.11035	3.3
253.12239	2.6
256.10931	1.8
259.13058	1.7
261.11987	1.7
261.14871	5.1
267.13721	2.6
269.11618	2.0
269.15494	1.5
271.13284	12.9
273.14713	2.5
277.14325	5.3
283.13242	2.0
285.14792	19.6
287.16458	1.9
289.14301	100.0
290.14777	4.8
293.89993	1.6
296.11456	1.6
297.14841	2.2
298.38889	1.6
303.15735	2.8
307.15384	6.3
315.15878	4.6
325.17938	5.8
341.21146	9.1
343.18985	43.3
355.19052	3.3
361.19928	8.8
383.25754	5.4
393.24173	4.0
411.25229	50.1
412.25693	2.8
429.26318	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	429.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.6
69.03396	1.3
69.07057	35.2
69.91733	7.7
69.92140	3.1
71.04984	2.0
78.93464	1.3
79.05482	1.7
81.07033	1.7
83.01331	5.5
91.05482	5.3
93.07016	4.5
95.08572	7.8
97.10163	3.1
98.21387	1.6
100.92889	1.3
102.52472	1.6
105.07008	10.1
105.15469	1.6
107.08564	12.2
109.10139	2.5
121.10133	4.3
131.08539	3.4
133.10091	11.5
135.08011	4.0
135.11684	2.0
147.11674	2.0
149.09637	1.5
159.08031	1.8
159.11674	1.9
163.07526	3.6
163.11230	1.5
163.38005	1.3
167.79654	1.3
173.09647	4.5
175.11108	7.2
177.09081	5.6
187.07518	1.9
189.09160	1.7
191.06995	3.0
203.10640	1.8
205.08566	32.5
205.10460	2.0
207.11670	1.6
209.13214	3.6
211.14626	1.5
219.10118	2.7
221.13374	2.3
223.09583	39.7
223.18321	1.7
231.10120	2.8
237.12767	4.1
239.14282	3.2
249.11034	3.1
249.13307	1.6
251.17946	4.8
261.12747	2.0
263.18045	1.5
265.12122	7.7
267.13742	2.7
273.14911	2.3
277.12317	3.5
279.17258	3.8
283.13293	4.2
285.14758	2.0
292.14523	2.9
295.13116	1.6
301.14270	5.8
307.16968	12.5
319.17020	2.6
323.20053	2.9
325.15088	1.1
325.17929	45.4
337.17929	6.1
343.18997	100.0
344.19391	2.7
359.22311	2.4
361.20084	22.2
375.23099	10.8
393.24203	8.0
411.25244	4.8
429.26236	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	429.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24450	0.8
55.05493	1.6
62.77153	0.8
63.37406	0.9
67.05484	2.6
69.03403	1.0
69.07058	34.1
70.02052	5.9
79.05486	2.6
81.13726	0.8
83.01319	4.4
83.04922	0.9
91.05454	3.4
93.07025	3.5
95.08588	9.8
95.59611	0.9
98.21417	1.8
105.07030	6.4
107.08578	8.7
107.59882	0.8
109.10125	1.2
115.05289	0.9
116.84983	0.9
119.08543	1.4
119.57638	1.0
121.06470	1.0
121.10137	8.0
123.08083	1.4
126.24786	1.0
131.08553	1.5
133.10109	9.2
135.08032	4.0
143.08502	1.8
145.10132	2.2
147.11636	1.6
149.05901	1.1
149.09595	2.3
151.28343	0.9
153.05411	1.2
157.10062	1.3
159.08017	3.4
162.06741	2.2
163.07469	6.2
165.05467	3.6
167.10666	1.4
171.08008	1.0
173.09613	3.7
175.07487	1.2
175.11154	5.2
177.09074	8.1
179.07034	2.2
183.11757	0.9
187.07506	2.0
191.07033	2.8
195.00385	0.9
195.06456	1.7
195.11736	1.4
197.08008	1.3
199.11151	1.2
203.10649	1.7
205.08562	53.4
221.11710	2.2
223.09612	66.9
225.09178	1.0
229.12117	1.3
231.10068	2.5
237.12820	1.7
246.14101	1.0
247.13368	1.4
249.10913	5.2
251.17992	2.0
255.13766	1.6
265.12177	3.9
267.14114	1.9
269.11737	3.7
269.15063	1.1
273.14786	3.0
277.12341	2.4
279.12216	1.1
279.17276	1.2
283.13138	6.2
285.14746	1.8
289.15970	1.2
291.15829	11.4
292.14514	1.1
301.14368	4.0
307.16940	8.4
319.16727	2.0
323.20010	1.6
325.17932	24.2
337.17813	3.6
341.21027	2.9
343.18979	100.0
344.19293	2.8
361.20038	66.5
362.20169	1.8
375.23248	6.2
393.23944	5.7
411.25244	7.8
429.26318	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02372	1.1
55.05499	2.0
67.05477	2.7
69.07057	22.6
71.04984	1.3
81.07034	1.2
83.01315	3.6
84.46687	1.1
91.05469	3.8
93.07037	2.1
95.08595	5.2
105.07036	5.9
107.08566	8.5
109.10122	2.1
119.08517	1.2
120.44366	1.1
121.10112	3.8
123.04400	1.1
131.08611	1.7
133.10118	8.0
135.08046	3.4
145.10002	1.5
147.11694	1.5
149.09601	1.6
157.10165	1.2
159.08090	1.3
163.07486	3.0
165.05440	2.7
173.09624	4.9
175.11122	3.7
177.09044	6.0
191.06950	1.7
199.11130	1.5
205.08583	31.3
209.13162	1.6
223.09613	32.0
229.12320	1.3
237.12805	1.5
239.14230	1.5
249.10863	1.6
249.12990	2.3
251.17921	3.4
255.13823	1.7
265.12134	3.9
267.13773	3.9
269.15353	1.4
273.14682	1.8
277.12305	2.3
279.17328	2.4
283.13220	4.2
285.14819	4.2
287.16409	1.7
291.15726	3.5
292.14609	1.5
301.14322	4.1
307.16916	10.0
319.16876	2.4
323.19995	2.3
325.17914	35.2
326.18243	1.7
337.17990	6.2
341.20975	3.0
343.19003	100.0
344.19296	4.7
361.20013	33.1
375.23102	9.8
393.24222	7.1
411.25211	8.0
429.26093	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80207	1.0
55.05504	1.9
66.05402	0.9
67.05480	3.5
69.03408	1.2
69.07063	39.2
71.05014	1.0
78.99937	0.9
79.05488	3.0
81.84875	0.9
83.01322	6.2
91.05466	3.5
92.86079	1.0
93.07037	5.8
95.04958	1.3
95.08592	10.5
98.20675	2.8
105.07026	10.8
107.08590	9.8
109.06468	1.4
109.10123	2.6
113.05983	1.7
119.08575	1.3
121.06513	2.2
121.10133	12.3
131.08522	2.9
132.54137	1.0
133.10104	11.6
133.11038	1.6
135.08031	4.6
135.11647	2.5
139.11125	1.1
142.07806	1.0
145.10095	3.5
147.11642	1.9
149.05989	1.7
149.09636	2.4
153.05426	1.3
157.10068	2.2
159.08018	5.0
159.11630	1.2
161.09489	1.1
162.06750	2.2
163.07518	7.9
163.11162	3.6
165.05449	3.7
167.10605	1.0
171.11624	1.1
173.09634	4.6
175.11185	4.6
177.05415	1.1
177.09102	9.9
183.11700	1.3
187.07475	3.9
189.09161	1.1
191.07036	3.9
203.10689	2.1
205.08580	60.5
209.07994	1.9
209.13187	1.8
221.13329	1.9
223.09627	76.4
229.55171	1.3
231.10149	3.5
237.12766	2.1
239.14352	1.9
241.46793	1.2
245.11610	1.3
249.11038	6.0
251.14209	1.7
251.18069	2.1
253.12219	1.2
255.13705	1.8
264.15131	1.2
265.12155	5.0
267.13846	2.1
269.11813	4.2
271.13150	1.9
273.14853	3.8
277.12164	3.6
279.17453	2.5
283.13272	4.2
285.14783	2.9
287.12857	1.5
291.15872	11.8
292.14645	1.7
301.14276	5.9
307.16885	9.2
319.16891	3.2
323.16357	1.2
323.20184	1.3
325.17935	27.1
326.18320	1.3
335.18359	1.6
337.17841	3.5
341.20868	2.3
343.19000	100.0
344.18954	2.0
352.84048	1.2
359.22226	1.4
361.20059	66.9
362.20377	2.1
375.23145	9.5
393.24356	6.8
411.25195	10.4
429.26367	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	429.2115
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03932	6.1
55.01853	6.1
55.05498	14.5
57.03431	14.8
67.05502	14.1
69.03423	25.3
69.07052	10.5
69.85007	3.2
69.85414	10.3
71.01344	2.6
71.04968	8.4
73.02898	2.4
75.07752	1.8
79.05495	17.8
81.03407	80.1
81.06609	2.0
81.07046	24.6
83.01315	2.9
83.04975	19.3
83.08258	1.5
83.08614	16.7
85.02901	20.8
87.04468	1.7
91.05449	23.4
93.07032	17.8
95.04946	20.5
95.08578	11.1
97.02881	40.5
97.06505	3.9
97.10149	3.6
99.04425	8.4
99.08056	1.7
103.03904	2.6
105.07022	20.4
107.04953	10.0
107.08568	10.9
109.02866	13.5
109.06512	6.1
109.10130	2.3
111.04425	7.6
111.08057	6.9
113.05959	3.3
117.07008	3.7
119.08560	16.6
120.08060	3.5
121.06493	4.6
121.08376	2.5
121.10136	12.2
123.04389	3.8
123.08069	3.3
123.11653	2.8
125.09590	4.1
127.03905	16.2
128.06149	2.7
129.05484	4.0
129.06999	11.1
131.08542	11.6
133.06464	7.7
133.10132	11.6
135.08028	3.4
135.11691	3.7
137.05991	2.3
137.09584	2.4
139.03856	3.1
142.07767	2.7
143.08560	3.6
145.10089	5.0
147.08023	3.3
147.11665	15.2
149.09607	5.8
151.03871	5.4
157.10103	13.9
159.11586	2.4
161.09558	2.4
162.05513	5.5
163.05896	3.2
163.07544	1.8
163.11142	7.7
165.12726	5.4
175.03851	5.4
175.11203	15.1
175.24599	1.7
176.04160	3.8
177.09244	1.9
179.10780	1.8
181.12277	1.8
185.09564	3.6
191.10648	2.8
193.12210	44.5
201.07480	1.9
203.10628	3.9
205.08585	7.5
211.13281	80.8
212.13663	3.9
216.06590	3.4
217.06877	3.0
221.11726	2.2
223.09601	7.4
227.12706	2.8
229.14337	4.8
235.13162	4.3
249.11113	3.6
249.14812	7.9
255.13811	2.2
265.14386	2.7
267.12042	13.9
267.15939	9.5
276.08801	3.0
277.08942	3.5
285.16910	17.7
291.15829	2.4
301.14188	3.8
309.16882	3.6
313.16351	3.6
319.15417	2.3
322.90302	2.0
325.17914	5.6
328.08875	6.7
337.16437	3.4
343.18979	16.8
346.38412	2.0
355.17410	4.3
361.20007	9.4
375.17871	2.2
393.18796	4.1
411.12766	3.3
411.19986	6.9
411.24841	2.2
429.21442	100.0
429.26422	4.0
430.21777	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	429.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91394	2.1
53.03947	7.1
55.01866	7.7
55.05498	17.0
57.03428	24.1
59.04988	2.5
61.02916	24.8
65.03918	4.9
65.88333	2.3
67.05495	35.2
68.99747	2.5
69.03420	28.8
69.07060	29.7
70.06583	4.8
70.50453	2.2
71.01344	5.3
71.04978	12.4
71.14219	3.0
71.14548	5.0
73.02911	10.5
75.04472	2.1
79.05484	34.3
81.03410	100.0
81.07053	38.6
83.04962	15.5
83.08614	15.9
84.08128	2.2
85.02893	40.4
85.06529	4.6
86.09701	3.3
87.04443	2.6
91.03943	10.6
91.05445	34.9
93.07025	28.9
95.04961	58.3
95.08595	16.2
97.02881	42.2
97.06545	6.1
97.10159	4.9
97.27178	2.1
99.04468	9.9
99.08075	3.0
101.02377	3.8
102.03774	2.5
103.03920	12.7
103.05441	3.6
105.07038	27.6
107.04926	22.8
107.08585	23.2
109.02865	25.7
109.06496	10.8
109.10166	9.4
111.04441	9.6
111.08079	9.5
115.05424	2.3
117.06995	11.0
118.65785	2.4
119.04933	3.7
119.08575	21.3
121.06475	14.0
121.10130	14.0
121.12251	2.0
123.04408	31.5
123.08112	5.7
123.11705	2.7
125.05952	2.7
125.09628	5.5
127.03894	18.3
128.06215	2.6
129.06969	17.2
131.04953	6.2
131.08569	18.3
133.06503	6.5
133.10123	16.7
135.04376	3.0
135.08046	8.9
135.11676	10.0
137.02298	6.8
137.05995	4.7
140.97719	2.7
142.07848	3.0
143.08554	6.5
145.04918	6.4
145.06512	3.3
145.10110	14.4
147.04390	11.7
147.08049	7.9
147.11668	20.4
149.05965	7.8
149.07391	5.6
149.09624	9.7
151.03909	8.6
151.07576	2.4
151.11165	2.8
153.05495	2.7
155.08495	2.6
157.06346	2.7
157.10088	12.5
159.08009	3.4
159.11719	3.8
161.05963	5.9
161.09584	4.2
163.07549	3.4
163.11180	21.1
163.13300	6.8
164.13666	6.3
165.12735	7.1
167.07080	2.4
169.10112	3.7
171.08044	3.4
171.11742	8.6
173.05994	2.4
173.09576	12.0
175.11195	15.0
177.09142	8.5
177.12740	4.5
185.09514	3.7
185.13167	2.4
187.11292	2.4
189.05440	4.3
189.09152	3.5
189.12766	9.5
191.10666	3.3
193.12228	30.3
199.11093	4.5
201.07428	2.8
203.10773	3.0
205.08569	25.3
205.12199	3.6
207.13828	8.3
211.13287	27.5
217.12279	5.6
223.07492	3.3
223.09576	22.2
223.13148	3.5
231.10258	3.9
231.14096	2.8
235.13261	44.6
247.13472	5.2
249.11194	4.5
249.14835	11.8
253.14307	5.5
255.13742	4.4
259.13303	12.0
265.12094	3.6
267.15878	38.6
269.11761	3.4
273.14813	25.4
277.14404	6.3
283.13205	3.8
285.17175	5.4
289.14294	6.8
291.15811	5.8
301.14362	25.6
307.16840	5.4
309.16931	37.9
313.16690	4.0
315.15787	4.0
319.15347	4.7
325.17899	19.4
333.17078	5.6
337.16766	4.4
339.04944	5.0
339.67239	2.3
341.20984	2.9
343.19000	59.0
345.16931	3.2
351.18158	4.8
359.02521	2.4
361.20007	19.3
363.18118	3.8
375.18063	20.8
375.22769	5.3
393.19012	17.1
393.24301	6.5
411.15109	2.6
411.20029	12.7
411.25159	5.7
429.16510	4.1
429.21191	70.3
429.26138	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	429.1753
Annotation	Hyuganoside II
Peak:m/z	Relative Intensity
51.30658	0.3
55.01867	0.4
55.05507	0.7
57.03419	0.5
57.07066	25.7
58.61922	0.3
59.04990	0.3
59.92107	0.3
60.53507	0.3
61.02890	0.4
65.03951	0.3
67.05486	1.3
69.03403	1.6
69.07041	1.1
69.59877	2.8
70.06557	0.3
71.04979	0.5
75.87805	0.3
79.05465	1.3
81.03400	1.2
81.07029	1.6
83.04958	1.2
84.04473	1.2
85.02889	2.4
85.06532	4.6
91.05462	1.3
93.07030	1.2
95.04956	1.0
95.08582	1.2
97.02883	1.0
97.06537	0.5
98.20760	0.7
99.04433	0.4
103.55428	0.3
105.07026	1.7
107.08564	0.9
109.06519	0.6
109.10131	0.8
111.04436	0.5
115.05402	0.3
115.34979	0.3
117.06998	0.9
119.04899	0.3
119.08563	2.0
121.02834	0.3
121.06461	0.3
121.10122	1.2
123.04389	1.0
123.07995	0.5
123.11703	0.6
125.09647	0.3
127.03886	0.4
127.07548	3.6
129.07031	0.5
130.04985	1.1
131.08524	1.5
133.06430	0.3
133.10095	0.9
133.98869	0.3
135.08064	0.3
135.11665	0.7
137.05943	0.6
137.09654	0.4
141.05443	16.7
142.07756	0.3
143.08505	0.7
145.04929	0.5
145.06473	0.4
145.10081	1.3
147.07800	0.3
147.11623	0.5
153.05403	0.5
157.10060	0.9
159.11630	0.6
161.09689	0.4
163.03868	0.4
165.05490	1.3
166.02425	0.3
167.03377	100.0
168.03734	1.7
171.11604	0.5
173.09480	0.5
173.13272	0.7
175.11102	0.4
176.12053	0.3
177.05511	0.3
179.08720	0.4
181.12289	0.4
183.06494	1.3
183.11568	0.3
191.03383	0.7
193.04849	0.4
193.12105	0.5
195.11650	0.4
207.06528	0.5
209.04387	1.1
209.13190	0.6
209.52399	0.3
211.13260	0.6
217.04930	0.3
219.06525	0.9
225.87617	0.3
233.04391	1.0
245.04320	0.4
249.11095	0.5
249.18474	0.5
257.04669	0.4
261.11209	0.4
265.19632	0.4
267.12238	55.7
268.12531	1.8
273.03937	0.4
275.05551	0.4
279.12173	0.3
285.03900	2.2
287.02121	0.4
289.03217	0.7
291.12183	1.3
297.03909	0.5
337.20935	1.6
343.07977	0.5
345.13333	0.9
361.08987	1.7
375.14374	0.5
393.15186	0.4
429.20694	0.9
429.27191	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	429.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24313	1.1
53.03944	2.3
53.21727	0.8
55.01855	2.0
55.05500	5.4
57.03397	0.8
57.07053	3.4
59.04995	1.0
67.05484	5.0
68.99776	4.2
69.03416	2.8
69.07059	35.1
70.83906	2.3
70.84312	2.4
71.04994	1.3
79.05481	4.8
81.03390	1.9
81.07053	5.3
83.01340	2.6
83.04960	2.1
83.08603	9.9
85.02901	1.4
88.76951	0.9
91.05444	7.7
93.07033	11.2
95.04954	3.1
95.08604	5.2
97.02901	2.3
98.21420	1.1
99.06016	0.9
105.03373	3.1
105.07008	14.2
107.05006	2.1
107.08578	13.2
109.06489	1.4
109.10152	2.5
111.00755	1.5
115.05408	1.4
116.90293	0.9
117.07004	3.0
119.04930	2.0
119.08553	8.5
121.06476	2.3
121.10133	17.7
123.04394	1.7
123.08038	3.0
123.11697	1.4
128.06180	1.5
129.06978	3.1
130.77481	0.9
131.08568	4.5
133.10072	7.6
135.08014	2.7
135.11662	3.8
135.80800	1.0
137.05922	1.0
137.09604	1.2
139.03944	1.1
142.07756	1.0
143.08562	4.2
145.06497	2.4
145.10100	3.9
147.04404	1.3
147.11662	3.8
149.02345	1.9
149.09599	3.3
149.13303	1.1
153.01797	42.7
153.05389	3.0
155.08485	2.4
157.06474	1.3
157.10065	1.9
159.08070	2.8
159.11673	2.2
161.09644	2.2
161.13264	1.3
163.03876	3.1
163.07547	2.5
163.11206	2.9
163.76445	1.1
165.05476	1.7
165.09142	1.3
167.08525	1.1
169.01303	2.9
169.10124	1.4
170.10828	1.8
171.04312	1.1
171.11592	1.2
173.05916	1.0
173.09634	2.7
175.03902	2.6
175.07498	1.6
175.11221	2.9
177.05446	2.4
177.09126	4.2
179.03415	9.4
183.08057	3.0
185.09633	1.1
185.13196	1.6
187.03937	1.5
187.07410	1.3
191.07016	1.1
192.04176	1.5
193.04958	4.3
193.12209	1.9
197.05986	1.0
197.09601	2.9
199.11159	2.0
201.05537	1.2
203.03352	17.1
203.10703	1.5
205.05019	5.8
205.08572	14.4
207.02861	24.3
207.80028	1.0
208.03267	1.1
211.07574	4.1
211.11328	1.7
211.13190	2.3
211.44936	1.2
217.04961	8.8
219.02815	1.5
219.06509	2.5
219.10046	2.2
221.04498	2.3
223.09590	19.1
223.11536	1.6
225.09032	1.6
225.12798	2.9
227.07027	3.3
229.04907	6.8
229.08635	1.2
229.12196	2.6
230.05769	1.9
231.02876	19.7
231.06537	2.6
231.10168	1.6
235.07561	1.9
237.03880	2.0
239.07068	1.3
243.06494	2.4
243.10037	1.2
245.04408	2.7
247.02481	1.9
249.03931	9.7
251.07069	2.2
251.10663	1.3
251.17990	2.4
253.08665	3.7
253.12231	2.9
254.05688	1.4
255.06465	16.4
255.13953	1.2
257.04453	1.7
257.08218	3.1
261.03870	5.8
263.05435	15.1
265.12152	2.7
266.05734	5.3
267.06519	3.1
268.07019	1.2
269.08072	14.4
269.11383	1.6
270.08786	3.1
271.06415	2.1
271.09695	7.2
271.13016	2.2
273.03979	1.4
275.05438	5.6
277.04523	1.1
277.07147	2.6
279.06503	2.8
280.07217	12.9
281.08032	13.8
282.05237	3.4
283.06006	13.3
283.09637	5.0
289.03433	1.5
289.06912	1.8
289.14392	1.7
291.15976	1.4
293.08118	1.6
294.05133	4.9
295.05927	2.9
295.09680	12.9
295.12842	1.1
296.06818	1.7
297.04468	1.9
297.07574	13.7
297.11243	3.1
299.09137	2.4
299.12567	1.3
301.06985	6.2
301.14325	1.4
307.09680	1.4
307.16837	3.3
308.06735	11.1
309.07571	13.7
309.10934	1.8
310.04779	1.4
311.09299	2.3
313.07217	1.8
314.07831	5.5
315.08566	31.4
316.08844	1.6
317.10260	1.6
323.09149	13.2
323.12759	3.0
325.07129	4.7
325.17920	12.0
327.08569	42.7
328.08920	1.4
329.10083	11.6
329.57593	1.2
331.11829	3.5
335.12726	3.0
337.17975	2.4
339.16147	2.4
341.10132	43.0
341.14243	2.2
341.21167	2.0
342.07181	2.4
342.10645	2.7
343.08054	10.7
343.11877	5.2
343.18961	34.6
359.22339	1.1
361.19968	14.2
365.13803	4.1
367.15201	2.6
375.23242	3.9
378.18478	2.4
383.14841	100.0
384.15240	6.1
385.16425	24.6
386.16687	1.4
393.13293	2.9
393.24341	3.2
411.14243	19.9
411.25302	7.9
429.15463	58.9
429.26266	10.9
430.15732	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	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15750	1.0
55.01871	7.4
55.05486	1.8
57.03424	13.5
59.04987	2.8
61.02922	10.4
65.03914	1.6
67.05481	2.3
69.03048	1.9
69.03420	27.8
69.07047	4.3
71.01324	2.2
71.04977	3.6
71.79760	1.6
72.04516	1.2
73.02907	32.6
79.05487	3.1
81.03406	5.5
81.07056	4.2
82.07190	1.1
83.04996	1.5
84.08125	1.6
85.02892	100.0
85.06530	1.3
86.03210	1.3
87.04467	6.1
91.03940	4.4
91.05424	2.5
93.07026	4.2
95.04955	3.7
95.08585	3.2
97.02881	37.4
97.06470	1.6
99.04428	4.3
103.03909	2.2
105.03429	1.2
105.07013	3.7
107.04964	1.7
107.08580	2.3
109.02861	8.4
109.10168	1.2
113.05968	1.3
115.03922	18.0
119.08550	1.9
121.06493	4.2
121.10146	2.9
123.04400	5.3
123.08066	1.4
127.03904	32.5
129.06926	1.7
131.04872	1.9
131.08556	2.1
132.06578	1.7
133.04947	21.9
133.06461	1.9
133.10083	2.9
135.08018	1.8
137.05994	2.9
139.03914	1.5
143.08502	4.2
145.04944	56.9
145.10107	3.4
147.08035	1.9
150.07616	3.0
151.03876	2.1
157.06491	1.1
157.10074	3.8
159.08034	2.7
161.09566	1.3
163.03947	2.3
163.06001	20.5
165.05490	3.2
167.06999	2.1
167.08369	1.3
171.08058	5.5
173.09625	2.5
177.05505	1.2
177.09100	2.0
185.09587	4.2
189.09018	2.3
201.09103	3.0
205.08650	2.9
213.08975	1.3
219.10164	1.6
222.08293	2.0
223.06049	2.5
223.09529	2.3
231.10213	2.9
234.08585	1.4
241.07031	3.5
249.11201	11.9
259.08096	4.1
265.10681	4.8
266.11057	10.2
267.15866	2.0
275.26288	1.2
276.12292	2.2
277.09045	1.3
279.17841	3.4
285.03848	3.3
302.54810	1.2
303.08380	1.4
325.17899	3.7
343.18756	7.0
357.09860	1.3
361.09091	3.5
361.20096	2.6
367.20767	1.4
385.15854	2.3
428.17838	3.9
428.24414	2.5
429.15710	4.1
429.20651	3.4
429.26062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	7.4
57.03430	12.3
57.07066	1.2
59.04990	1.3
61.02920	11.5
62.98558	0.7
65.07227	0.8
67.05472	0.9
69.03422	25.0
69.07031	1.0
69.76547	1.2
69.76950	5.4
71.01340	1.9
71.04982	2.2
73.02519	1.7
73.02911	29.5
73.03320	1.5
81.03413	5.4
82.13126	0.7
83.01317	0.8
83.04987	0.8
83.22474	0.7
85.02894	100.0
86.03233	1.4
87.04447	3.5
88.81643	0.7
89.16788	0.8
91.03939	6.4
93.07008	1.4
95.05006	1.0
95.08572	1.0
97.02240	1.7
97.02880	36.3
99.04423	4.0
101.75269	0.8
103.03940	1.7
104.55105	0.7
105.06996	1.3
107.08612	0.8
109.02861	7.5
115.03929	14.8
121.10110	0.8
127.03899	30.7
132.06534	1.8
133.04959	20.1
138.09068	0.8
139.03885	2.4
145.04945	59.0
146.05312	1.0
150.07616	3.1
163.06006	23.9
173.09671	1.1
175.07596	0.8
189.09195	0.9
204.08684	0.7
205.08690	1.2
214.51396	0.8
216.92703	0.7
217.07144	1.0
223.06035	1.6
231.13904	1.2
241.06992	3.7
254.29071	0.7
259.08139	3.9
276.12357	0.9
277.09320	0.9
279.17990	3.6
295.10300	0.8
343.18832	1.4
379.26184	1.0
428.17776	2.8
429.17566	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	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15750	1.0
55.01871	7.4
55.05486	1.8
57.03424	13.5
59.04987	2.8
61.02922	10.4
65.03914	1.6
67.05481	2.3
69.03048	1.9
69.03420	27.8
69.07047	4.3
71.01324	2.2
71.04977	3.6
71.79760	1.6
72.04516	1.2
73.02907	32.6
79.05487	3.1
81.03406	5.5
81.07056	4.2
82.07190	1.1
83.04996	1.5
84.08125	1.6
85.02892	100.0
85.06530	1.3
86.03210	1.3
87.04467	6.1
91.03940	4.4
91.05424	2.5
93.07026	4.2
95.04955	3.7
95.08585	3.2
97.02881	37.4
97.06470	1.6
99.04428	4.3
103.03909	2.2
105.03429	1.2
105.07013	3.7
107.04964	1.7
107.08580	2.3
109.02861	8.4
109.10168	1.2
113.05968	1.3
115.03922	18.0
119.08550	1.9
121.06493	4.2
121.10146	2.9
123.04400	5.3
123.08066	1.4
127.03904	32.5
129.06926	1.7
131.04872	1.9
131.08556	2.1
132.06578	1.7
133.04947	21.9
133.06461	1.9
133.10083	2.9
135.08018	1.8
137.05994	2.9
139.03914	1.5
143.08502	4.2
145.04944	56.9
145.10107	3.4
147.08035	1.9
150.07616	3.0
151.03876	2.1
157.06491	1.1
157.10074	3.8
159.08034	2.7
161.09566	1.3
163.03947	2.3
163.06001	20.5
165.05490	3.2
167.06999	2.1
167.08369	1.3
171.08058	5.5
173.09625	2.5
177.05505	1.2
177.09100	2.0
185.09587	4.2
189.09018	2.3
201.09103	3.0
205.08650	2.9
213.08975	1.3
219.10164	1.6
222.08293	2.0
223.06049	2.5
223.09529	2.3
231.10213	2.9
234.08585	1.4
241.07031	3.5
249.11201	11.9
259.08096	4.1
265.10681	4.8
266.11057	10.2
267.15866	2.0
275.26288	1.2
276.12292	2.2
277.09045	1.3
279.17841	3.4
285.03848	3.3
302.54810	1.2
303.08380	1.4
325.17899	3.7
343.18756	7.0
357.09860	1.3
361.09091	3.5
361.20096	2.6
367.20767	1.4
385.15854	2.3
428.17838	3.9
428.24414	2.5
429.15710	4.1
429.20651	3.4
429.26062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.01853	2.2
57.03429	14.9
59.04980	5.0
61.02908	4.5
65.03925	2.8
67.05508	9.5
69.03416	17.1
70.94617	3.4
70.94953	2.6
71.02861	1.9
71.04973	3.5
73.02902	2.3
74.06055	2.0
75.04456	5.9
79.05460	3.6
81.03384	6.1
83.04962	30.9
85.02394	3.7
85.02888	53.1
90.05547	11.6
91.05457	3.4
93.03369	3.0
93.07040	6.0
95.04941	4.6
97.02875	14.1
97.06516	17.4
99.04448	4.0
101.05999	9.3
103.03923	2.1
109.02856	5.2
111.04427	54.2
119.04935	29.6
121.02805	2.2
121.06458	7.4
123.04391	4.9
125.05972	29.8
127.03873	11.6
129.05467	15.0
136.06198	12.1
137.05928	4.0
139.03946	2.3
141.05446	2.2
143.07013	43.6
145.04924	10.6
147.04350	2.1
149.05965	21.1
159.06525	16.9
163.03899	6.2
167.07024	47.2
185.08066	33.6
199.09639	37.0
201.07365	2.3
217.10681	100.0
248.15952	1.7
249.13292	39.8
316.79556	2.2
354.37073	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01865	4.9
55.05496	6.3
57.03417	3.0
57.05040	1.4
57.07061	8.2
61.02925	2.8
67.05492	4.6
69.03419	8.5
69.07062	5.4
70.06589	2.1
71.04989	4.4
71.81389	2.6
73.02903	4.0
79.05482	3.1
81.03413	16.3
81.07045	2.8
83.08614	4.0
85.02892	31.2
86.06073	3.1
87.00825	9.5
89.06007	19.2
91.05467	2.1
93.07024	2.6
95.04961	5.5
95.08614	2.1
97.02875	12.0
99.04435	4.6
101.09650	8.9
105.01856	10.9
105.07001	2.9
107.04984	2.0
107.07076	20.7
107.08587	4.3
109.02872	10.3
109.06489	2.5
111.08056	1.7
117.31412	1.6
121.10146	3.6
123.04424	2.6
127.03901	17.7
133.10098	2.8
135.11667	1.8
139.03897	1.8
145.04965	9.5
159.02895	5.1
162.03694	2.7
163.07555	1.9
163.13272	100.0
165.05441	3.7
166.05861	1.8
175.11192	1.8
180.04755	2.0
201.72633	1.6
205.08542	3.8
211.13341	1.9
213.03902	2.2
213.09204	1.7
219.10237	2.5
223.09593	3.5
231.05067	2.9
231.10065	2.8
235.13417	2.1
237.11191	4.1
249.11479	1.8
276.12430	1.8
325.17816	1.9
343.19037	7.4
352.13428	1.7
360.22531	3.8
361.19867	3.3
429.21130	7.4
444.13525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37411	0.4
55.05246	0.7
55.05497	7.7
57.03426	5.3
57.07067	2.7
59.04972	0.6
62.06060	0.5
67.05497	8.1
69.03407	1.0
69.06704	0.9
69.07057	13.7
71.04961	2.1
71.08610	0.5
79.05482	3.2
80.19281	0.4
81.07044	10.5
83.04962	1.5
83.08608	14.0
83.50919	0.5
84.08083	0.4
85.02907	0.7
85.06516	1.9
85.10160	0.7
91.05468	1.8
93.07030	10.1
95.04922	1.1
95.08594	6.2
96.08899	0.6
97.06516	6.8
97.10146	3.0
98.98479	0.6
99.08090	0.8
101.05977	1.0
105.06994	1.2
107.08582	8.1
107.09285	0.4
109.06507	0.4
109.10136	3.6
111.08074	4.9
111.58291	0.4
115.07520	0.9
117.06955	1.3
121.10118	4.1
123.11697	1.2
125.08827	0.4
125.09579	2.4
125.13275	0.9
129.09114	0.6
131.08575	1.3
133.10092	0.8
135.11659	2.0
139.03871	0.6
149.13237	22.4
150.13538	1.1
159.11641	4.3
167.14282	10.4
177.12747	1.8
185.15379	0.8
195.13818	1.8
213.14830	1.6
216.06360	0.7
218.40665	0.4
231.13586	1.0
231.15877	20.6
232.16319	0.7
238.18034	1.4
256.19046	1.8
269.17374	3.1
287.18478	100.0
288.18887	4.5
343.18909	0.9
349.14050	0.8
361.09189	0.5
428.17752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.1
57.07069	10.5
58.10849	1.2
66.37855	0.9
67.05468	1.6
68.80903	1.2
69.06693	1.8
69.07057	32.0
69.76665	2.2
69.77073	7.3
79.05501	1.3
81.07040	3.3
83.01331	3.1
85.06536	1.1
93.07024	6.1
95.08588	1.7
105.07009	1.7
107.08598	5.7
109.10143	3.0
113.49609	1.1
119.08540	1.2
121.06490	2.1
121.10124	1.7
123.11633	1.6
127.07535	1.3
135.08040	1.8
135.11665	8.0
139.03908	1.3
145.10080	2.9
149.09615	1.3
153.05495	3.3
161.05971	1.4
163.07521	4.8
163.48750	1.1
165.05432	14.0
173.09662	2.8
176.08284	1.1
177.05490	1.8
177.09143	7.5
179.07056	8.6
181.08607	1.4
191.06967	3.1
191.10666	6.6
201.09033	2.0
204.07893	1.4
205.08629	4.2
205.12219	3.0
206.09227	2.2
207.10158	1.7
212.14619	1.1
217.08549	1.4
219.10146	30.4
221.11691	2.2
225.11154	2.2
231.10161	5.6
233.11703	17.6
237.11177	28.3
251.12732	16.8
257.11758	3.6
259.13293	1.5
275.12787	5.8
275.16275	1.1
285.14896	6.5
287.16391	39.2
287.19708	1.8
288.16721	1.6
292.55417	1.3
303.15918	8.4
341.21124	8.9
343.22571	1.6
345.51279	1.1
357.20483	4.1
359.22134	100.0
360.22546	4.3
371.21936	3.6
427.28497	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	427.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.3
56.88703	1.0
57.03428	2.3
57.07064	17.0
67.05490	3.2
69.06681	2.0
69.07059	38.1
69.69313	4.4
69.69748	4.4
79.05505	1.5
81.03409	0.9
81.07041	8.1
83.01337	3.8
83.04958	1.4
83.08573	1.1
85.06532	4.5
91.05466	2.2
93.07034	13.5
95.08590	2.9
105.07046	2.6
107.08584	12.0
109.02876	1.8
109.06511	2.9
109.10149	4.5
115.18665	1.1
119.08556	3.6
121.06490	2.6
121.10155	1.6
123.11688	16.0
127.03883	1.6
131.08522	1.2
135.08044	2.9
135.11665	19.9
137.05983	5.2
145.10107	1.6
149.05937	1.7
149.09624	1.9
151.07582	1.2
153.05453	13.2
161.06050	1.0
163.07559	4.5
163.11211	1.3
165.05457	93.0
166.05841	1.4
167.07089	1.6
173.09634	2.0
177.05484	7.3
177.09090	10.6
179.03377	1.8
179.07013	15.7
185.09554	1.2
187.11206	1.5
189.09105	1.4
191.07013	3.7
191.10750	5.5
195.08443	1.1
201.09023	3.1
203.06992	4.6
203.10651	2.0
204.07787	2.2
205.08624	6.7
205.12230	1.8
207.10167	2.3
208.62570	0.9
209.11714	2.4
215.10580	1.5
217.08527	1.6
219.06728	2.1
219.10133	55.2
220.10519	1.3
221.11708	42.9
222.12038	1.1
225.11232	3.6
229.08669	1.1
229.12262	1.7
231.10127	8.4
233.08102	1.4
233.11772	8.1
235.09578	8.1
237.11186	79.9
243.10049	1.1
245.11641	2.7
251.12808	9.4
257.11594	6.3
259.13388	1.6
269.15314	2.4
271.13293	2.3
273.14899	1.4
275.12793	9.0
275.16177	2.3
285.14783	4.2
287.16382	100.0
288.16702	3.5
291.15881	1.9
303.15921	7.2
305.17468	7.0
309.13129	1.0
325.21634	2.3
341.20978	5.8
343.22589	21.1
357.20502	2.3
359.22122	83.3
360.22382	3.9
371.22171	10.0
427.28415	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	427.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
55.08955	1.1
57.03427	2.8
57.07066	11.6
69.07062	25.7
69.98364	1.0
71.52290	3.2
71.96156	1.1
79.05511	2.3
81.07053	4.4
83.01343	4.9
85.06550	2.3
91.05467	3.0
93.07026	12.6
95.05006	1.8
105.06977	2.7
107.08595	17.9
109.02852	1.6
109.06499	3.8
109.10161	3.1
119.08561	2.1
123.11691	15.6
127.03876	1.7
131.08560	1.8
135.08075	2.5
135.11670	29.8
137.05989	4.7
145.10135	3.2
149.09589	3.0
153.05446	8.0
155.08604	1.3
162.06726	1.1
163.07512	4.5
163.11145	2.2
165.05460	89.4
173.09680	1.9
175.33633	1.1
176.08305	2.3
177.09088	13.3
191.10667	7.3
201.09111	5.3
207.10150	2.7
219.10144	67.3
220.10402	2.0
221.11682	15.3
225.11171	5.7
237.11192	89.1
238.11565	2.7
243.10451	1.3
275.16422	1.5
287.16382	100.0
288.16772	3.9
305.17554	6.1
327.19559	2.7
341.21008	2.4
343.22650	2.0
357.20557	4.0
359.22150	41.8
360.22470	2.0
371.22116	7.0
427.28625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02213	0.7
57.07066	5.9
67.05479	1.5
69.07059	18.7
69.85375	6.2
79.05471	2.5
81.07034	2.9
83.01342	2.5
84.63984	0.7
85.06532	1.9
91.05460	2.9
93.07024	10.0
95.08569	1.2
105.06985	1.4
107.08574	13.2
109.06495	2.9
109.10132	2.4
119.08471	1.2
121.06445	1.4
121.10126	1.2
123.11674	9.7
123.63520	0.8
127.03915	0.9
135.08009	1.1
135.10625	1.2
135.11671	23.9
137.05969	2.9
139.03786	0.8
145.10072	1.3
153.05426	6.6
162.29556	0.9
163.07547	2.1
163.11166	1.1
165.05458	76.2
169.25366	0.8
173.09631	2.6
176.08260	0.8
177.05492	9.8
177.09091	7.4
179.07031	1.8
191.10674	2.4
201.09059	2.6
203.06795	0.8
204.07748	1.9
219.10139	43.1
220.10442	0.9
221.11716	15.7
225.11197	4.8
231.10161	0.9
235.09584	1.2
237.11186	100.0
238.11543	2.4
249.29346	0.8
251.12766	1.3
275.12653	1.3
275.16330	1.0
287.16385	79.9
293.17404	1.2
303.15915	1.1
305.17410	3.8
327.19342	1.3
336.28464	0.9
341.20999	1.3
343.22543	1.1
357.20523	2.8
359.22134	42.8
371.21851	4.2
427.28284	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	427.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67754	0.7
52.55387	0.9
55.01872	0.9
56.07873	0.8
57.03418	1.5
57.07067	10.2
63.00091	0.8
63.64028	0.8
67.05473	1.6
68.69249	0.9
69.03429	0.9
69.07062	21.3
72.94060	0.8
74.46389	0.8
79.05473	2.6
81.07040	3.0
83.01343	2.8
85.06538	1.6
91.05455	2.1
93.07035	11.1
95.08571	1.2
105.06998	2.2
105.19819	0.8
107.08577	12.8
109.06505	2.5
109.10121	1.8
123.11681	13.7
127.03813	1.0
133.10124	1.2
135.07983	2.7
135.11676	27.5
137.05978	2.7
139.03867	1.5
145.10098	2.4
149.09579	2.4
153.05466	6.6
162.06763	1.2
163.07486	4.5
163.11261	1.3
165.05452	88.0
173.09616	1.9
175.07513	0.9
176.08342	1.4
177.05492	0.9
177.09097	10.3
191.10655	5.4
201.09087	3.2
204.07770	1.3
207.10075	1.2
209.11751	1.2
219.10133	61.1
221.11711	14.4
223.09492	1.1
225.11115	5.1
237.11183	89.1
238.11508	2.3
246.03075	0.9
251.12833	1.0
269.15298	1.2
279.99039	1.0
287.16376	100.0
288.16727	3.9
293.17361	1.2
303.15948	1.1
305.17398	3.3
327.19702	1.2
335.54828	1.0
341.21152	4.8
357.20731	2.1
359.22110	43.9
360.22369	2.8
370.20291	0.9
371.22244	6.2
427.28235	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	427.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12153	0.7
54.04862	0.7
55.05502	1.0
57.03426	1.4
57.07068	9.2
60.35986	0.7
67.05486	2.7
69.03405	1.5
69.06682	1.6
69.07059	29.6
69.80571	5.3
77.32198	0.8
79.05491	1.1
81.07047	2.4
83.01344	1.4
85.06532	2.2
87.24359	0.7
89.10429	0.8
91.05466	2.1
93.07032	7.7
95.04953	1.0
95.08578	2.0
98.20712	0.8
104.19809	0.8
105.07040	1.3
107.08567	5.3
109.06454	1.4
109.10136	2.8
116.77118	0.8
117.07014	0.9
119.08582	1.4
121.06499	2.6
123.11696	3.0
127.07554	1.3
135.08064	1.4
135.11668	8.6
137.06010	1.7
139.03951	1.0
141.05411	0.8
145.10129	1.4
149.09602	2.3
151.07574	1.3
153.05431	3.4
153.06526	0.9
161.06003	0.9
163.07532	3.3
163.11153	0.9
165.05475	18.9
173.09587	2.2
176.08269	0.8
177.05504	2.2
177.09064	5.8
179.06999	9.5
191.06992	2.3
191.10645	3.7
201.09108	2.1
203.07112	1.6
203.10645	1.2
204.07796	1.5
205.08536	4.2
205.12222	1.5
206.09285	0.8
207.10226	1.8
215.10706	1.0
219.06749	1.8
219.10149	33.9
221.11720	3.5
225.11211	3.1
231.10144	5.9
233.11694	8.8
237.11182	36.0
245.11742	0.9
251.12793	10.8
257.11636	4.9
259.13239	0.9
275.12781	10.3
275.16251	1.4
275.99463	0.7
285.14807	4.8
287.16376	51.3
288.16858	1.2
303.15884	9.6
341.20987	7.5
343.22562	3.2
357.20502	2.7
359.22131	100.0
360.22379	4.6
371.22183	5.6
427.28439	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	427.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01861	0.5
55.05486	1.5
57.03420	2.6
57.06794	0.7
57.07063	13.4
59.84532	0.5
65.03938	1.1
67.05482	2.5
67.54454	0.4
69.03425	0.6
69.07054	26.9
69.63869	1.0
69.64282	3.4
79.05474	4.0
81.03387	0.6
81.07042	4.2
83.01315	3.0
85.06519	2.6
91.05456	5.2
93.07024	16.5
95.04942	1.2
95.08578	1.8
98.20738	1.0
105.07022	3.2
107.08573	21.4
108.08892	0.7
109.02869	1.1
109.06497	2.8
109.10142	3.1
117.06986	0.7
119.04860	0.5
119.08556	1.9
121.06451	1.1
121.10091	1.0
123.11684	13.5
127.03878	1.0
127.07503	0.6
130.07745	0.7
131.08560	0.9
133.06467	0.5
133.10130	1.3
135.04472	0.4
135.08046	4.4
135.11664	30.1
136.12013	0.6
137.05937	4.8
139.03857	1.0
141.05421	0.8
145.10095	2.5
147.11661	0.7
149.05966	1.4
149.09589	2.1
153.05434	12.8
155.08569	0.8
158.07230	0.9
159.08116	0.8
161.05899	0.6
161.09724	0.5
162.06750	1.4
163.07529	4.3
163.11172	0.9
165.05446	96.4
166.05756	2.4
173.09596	2.6
175.07561	0.6
176.08305	1.5
177.05484	1.9
177.09077	10.4
179.07034	0.8
189.08983	0.7
191.06992	1.2
191.10652	7.7
199.07523	0.5
201.09042	3.6
203.07083	0.5
203.10625	0.8
204.07860	1.0
205.08521	0.6
207.10075	3.3
209.11703	1.8
217.08562	1.2
219.10124	67.5
220.10449	2.3
221.11682	21.9
222.11929	0.8
225.11174	6.5
231.10085	1.0
233.11633	0.9
235.09662	0.5
237.11168	100.0
238.11539	1.3
245.11852	0.6
251.12373	0.5
257.11426	0.5
259.13379	0.5
269.15283	1.5
271.13116	0.7
273.14856	0.5
275.12958	0.6
275.16342	1.8
285.14816	0.9
287.16364	81.2
288.16702	2.4
291.15884	0.9
293.17419	2.4
305.17386	5.0
325.21490	0.7
327.19366	1.0
341.21072	3.8
343.22577	4.7
357.20630	3.2
359.22113	34.8
360.22382	1.3
371.22079	7.1
372.37823	0.5
427.28256	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	427.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26984	0.8
53.00306	0.9
55.05490	1.7
55.56392	0.8
56.13042	0.7
57.03419	2.2
57.07063	12.8
64.45370	0.8
67.05478	2.7
69.03403	1.7
69.07057	40.1
69.98158	5.1
70.12148	0.8
76.11704	0.7
79.05479	1.6
81.07046	4.4
83.01329	3.1
83.04971	1.1
84.87732	0.8
84.90115	0.7
85.06522	4.1
91.05464	3.5
93.07029	13.2
95.04953	0.9
95.08575	1.8
105.07024	2.0
107.08575	9.7
109.06489	2.2
109.10110	3.9
119.08592	2.2
121.06495	1.9
123.11712	4.9
127.07487	1.9
127.79622	0.9
131.08501	1.0
133.10097	1.4
135.08028	3.2
135.11670	12.2
137.05901	1.2
139.03920	1.3
145.10097	1.8
149.09546	2.5
153.05463	4.4
161.06033	0.8
163.07529	4.0
163.11209	1.8
165.05478	10.8
167.07106	1.1
173.09618	2.6
175.07434	0.9
176.08365	1.1
177.05476	1.7
177.09071	7.0
179.07011	7.3
179.10603	1.3
189.09076	1.5
191.07040	3.4
191.10619	5.2
193.08565	1.0
195.10159	1.1
201.09099	1.9
203.07022	2.5
204.07796	1.8
205.08629	4.8
205.12273	1.6
206.09398	1.0
207.10083	4.2
215.10710	1.5
217.08606	1.6
219.06735	1.8
219.10133	37.8
220.10603	0.8
225.11180	4.3
229.08521	1.2
229.12140	1.0
231.10124	3.6
233.11699	14.8
237.11180	31.2
243.10019	0.9
245.11823	1.6
251.12770	15.3
257.11649	7.4
259.13168	1.4
261.11230	1.1
275.12796	13.7
275.16122	2.0
285.14828	7.7
287.13107	1.5
287.16370	31.6
289.14209	0.9
303.15878	12.9
341.21072	10.6
343.22543	1.5
357.20575	4.7
359.22113	100.0
360.22397	1.5
371.21976	3.3
427.28354	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	427.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01865	7.2
55.05502	100.0
57.03430	22.1
57.07069	4.2
59.04989	4.0
65.03941	2.4
67.05496	37.4
69.03419	11.2
69.07056	25.3
70.09095	1.7
70.37218	6.6
71.04987	8.1
79.05484	62.8
81.03406	93.1
81.06644	1.2
81.07041	49.2
83.04964	19.4
83.08606	49.7
85.02886	30.3
85.06532	3.0
91.05465	33.2
93.07031	20.6
95.04954	34.9
95.08585	19.1
97.02900	5.5
97.06532	6.3
97.10156	51.1
98.20670	1.9
101.09665	2.0
101.57130	1.7
105.07019	28.6
107.04957	7.5
107.08578	33.2
109.02847	2.2
109.06528	9.3
109.07207	1.8
109.10159	5.6
110.02716	2.0
111.04424	3.2
111.08076	14.8
113.06008	2.9
117.06981	2.5
119.04932	2.9
119.08569	22.7
121.06458	4.3
121.10114	13.5
123.04440	3.5
123.08081	6.9
123.11729	5.3
125.09621	37.1
129.06981	9.2
131.08530	15.0
133.06471	2.5
133.10094	13.8
135.11697	5.7
137.05969	2.4
137.09637	3.5
140.10724	2.7
142.07813	4.5
143.10640	12.2
145.10097	7.3
147.08069	4.2
147.11667	21.1
149.09647	6.7
151.11105	1.9
157.10097	18.9
163.07515	2.3
163.11194	4.3
165.05531	6.5
165.12785	5.3
173.09612	3.6
175.11160	23.0
177.09206	2.1
183.06606	1.9
193.12215	84.8
194.12599	2.0
197.08395	1.8
199.13252	22.9
205.08617	2.2
211.11232	3.6
211.13258	77.7
217.14308	29.0
219.10269	7.0
221.11748	2.7
237.11096	11.0
267.15878	39.4
285.16895	19.7
287.16464	6.1
289.14392	3.4
307.15512	3.2
314.12323	1.7
317.21143	8.2
327.08902	2.5
335.22128	10.4
339.19537	3.0
359.18219	2.3
359.22192	7.7
370.71506	1.9
391.22314	3.0
409.25934	42.3
427.14328	2.7
427.19614	4.4
427.26904	97.0
428.27444	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	427.2837
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
51.40203	0.6
52.57611	0.5
55.05499	1.5
57.03417	2.1
57.06808	0.7
57.07067	11.5
65.03932	0.7
67.05486	2.6
69.03422	1.5
69.07054	36.1
70.81358	1.8
70.81708	0.8
79.05466	2.2
81.07053	4.6
83.01336	3.3
85.06525	3.2
91.05453	2.9
93.07030	10.1
95.04936	1.4
95.08591	2.6
103.05418	0.6
105.07024	2.2
107.08580	12.1
109.02866	0.9
109.06473	2.2
109.10126	4.7
119.08563	1.7
121.06486	1.9
121.10153	0.8
123.10780	0.9
123.11679	12.0
127.03880	0.9
127.07550	1.2
131.08582	0.9
133.10092	1.0
135.08008	2.6
135.11673	17.5
137.05907	3.4
145.10069	2.4
149.05896	1.5
149.09587	1.6
153.05440	7.3
158.07195	0.6
159.08035	1.1
161.05928	0.7
162.75249	0.6
163.07541	4.4
163.11145	2.7
165.05446	57.6
166.05814	1.6
167.07005	1.0
173.09592	3.0
175.07512	1.0
176.08347	1.3
177.05536	2.9
177.09084	9.9
179.07040	6.3
181.04997	0.8
181.08586	0.7
183.11505	0.6
189.05359	0.7
190.09691	0.8
191.06966	4.0
191.10628	6.3
201.09084	3.7
203.06995	2.0
204.07784	1.7
205.08607	3.1
205.12209	1.3
206.09256	0.7
207.10138	1.7
209.11649	1.5
215.10670	1.0
217.08546	1.2
219.10127	59.6
220.10545	1.9
221.11693	21.4
221.13823	1.4
225.11131	3.8
229.08427	0.8
231.10094	3.3
233.11708	9.1
235.09575	1.5
237.11174	72.9
238.11473	1.8
243.10118	1.0
245.11613	1.0
247.13235	0.8
251.12773	11.0
257.11688	4.0
257.15396	0.8
259.13123	1.1
275.12744	7.4
275.16351	2.1
279.16068	0.8
285.14774	4.1
287.16360	67.4
288.16724	1.4
303.15848	8.8
304.16336	0.7
305.17459	5.1
325.21793	0.9
341.20947	6.5
343.22641	7.3
357.20486	2.9
359.22104	100.0
360.22455	4.8
371.22107	7.1
427.28348	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	427.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.01875	1.2
55.05512	2.3
57.03448	1.1
57.07076	2.0
67.05488	4.8
68.99830	0.6
69.03433	2.3
69.07064	31.6
71.04982	6.0
74.43410	0.7
79.05484	4.0
81.07047	6.3
83.01335	8.6
83.04966	1.4
83.08607	0.6
85.06534	1.0
85.35112	0.6
91.05474	7.5
93.07040	6.9
95.04961	1.9
95.08595	16.8
95.09197	0.9
97.02885	1.0
97.06527	1.5
97.10168	1.5
102.55884	0.6
105.03385	1.2
105.07023	16.9
107.04987	0.9
107.08589	19.1
109.06544	2.2
109.10125	5.4
111.04428	1.0
117.06981	3.0
119.04972	2.3
119.08571	4.4
121.06500	1.2
121.10135	12.0
123.04435	1.9
123.08077	1.6
123.11733	2.1
125.02332	2.0
127.03942	0.9
128.06212	1.3
129.07025	1.5
130.07808	1.8
131.08572	3.9
133.06480	1.1
133.10117	25.8
134.10956	1.1
135.08093	2.2
135.11673	2.1
137.05988	2.0
137.09656	1.0
139.03923	2.0
141.05432	0.9
141.07014	0.7
142.07703	0.8
143.08580	2.1
145.06476	1.5
145.10114	12.4
147.08078	1.4
147.11702	3.4
149.05984	0.7
149.09587	1.2
151.03896	2.7
153.05414	1.1
155.03430	0.9
155.07047	1.4
155.08574	1.7
156.09383	0.7
157.10158	3.0
159.08095	1.4
159.11670	3.4
161.09636	0.8
163.03946	1.5
163.07549	1.7
163.11171	3.1
165.05478	2.6
165.06841	0.6
165.09103	2.0
167.03452	1.4
167.08521	0.8
167.10710	1.1
169.04951	78.7
169.10124	2.0
170.05334	2.0
171.08005	4.6
173.09605	49.5
173.13269	1.8
174.09981	2.0
175.07610	1.5
175.11171	7.0
177.05458	9.9
177.09073	2.4
179.03468	0.8
180.04010	0.7
181.08731	0.8
181.10219	1.4
182.10901	1.5
183.06549	2.5
183.10228	1.2
183.11629	1.2
185.06020	0.8
185.09650	2.7
185.13272	0.8
187.07550	1.5
187.11194	2.1
189.09140	1.1
191.06976	4.6
191.10692	1.7
193.04976	1.7
193.08499	0.8
193.10291	0.9
193.12140	1.1
195.06535	8.3
195.08105	1.8
195.11659	1.5
197.13243	3.0
199.07527	0.8
199.11212	1.0
201.09076	3.1
203.06949	1.1
203.10623	0.6
205.08557	1.2
207.06490	1.6
207.11700	1.3
209.08031	3.9
209.13304	1.4
211.07591	1.1
211.11238	1.6
213.09143	3.0
213.12756	1.5
215.10710	1.4
215.14273	1.2
217.08702	1.0
219.10136	21.9
219.12102	1.5
221.08038	0.9
221.11583	0.7
223.07686	1.1
223.14914	1.2
225.12762	4.8
227.07031	1.4
227.10712	1.6
227.14314	1.2
229.08569	7.8
229.12149	3.2
233.08080	5.0
234.08786	0.8
237.10887	6.9
237.13078	1.8
239.09077	6.8
241.08578	25.5
241.12303	2.0
243.10237	1.4
243.13857	4.9
245.08037	1.0
247.09618	16.6
250.10066	1.3
251.14365	1.4
253.12212	5.2
255.10120	0.9
255.13838	2.5
256.10983	0.9
261.14957	0.9
265.12265	16.4
265.19519	1.4
269.11755	2.4
270.12540	1.3
271.13263	26.1
273.11282	1.9
275.17697	1.1
279.13898	1.2
279.17032	0.7
283.13321	21.3
283.16861	2.0
283.20270	1.4
284.13675	0.8
287.12799	5.6
287.16013	1.3
288.13455	1.5
289.14325	100.0
290.14676	4.1
293.18994	2.7
297.14886	2.7
301.14352	1.6
303.17517	1.3
307.15424	2.9
311.19925	5.3
315.15921	1.4
317.13776	2.5
321.18472	14.7
322.18640	1.0
339.19525	43.5
340.20044	1.9
341.17566	1.6
355.18805	0.9
357.16904	2.1
357.20602	22.5
358.21252	2.5
359.18497	87.1
360.18988	4.6
386.08255	0.7
391.21051	3.7
409.23087	1.4
427.19171	1.1
427.24722	22.9
428.25113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2477
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
53.50998	7.7
55.05490	17.4
57.07052	24.0
59.04989	39.9
62.56782	6.7
63.17514	6.7
67.05478	23.6
69.03419	19.7
69.07055	28.0
70.02536	26.6
70.02962	21.7
71.04979	28.7
71.28616	8.4
75.04468	25.6
79.05481	29.4
81.07021	25.5
83.04948	16.5
84.20149	6.6
88.01735	9.1
88.66748	7.0
89.46776	6.9
91.05466	48.3
93.07038	56.9
95.04953	21.3
95.08600	52.5
97.06608	7.7
105.03385	10.3
105.07036	44.7
107.08585	45.9
109.06497	20.3
109.10131	16.0
118.72903	7.8
119.08584	46.9
121.06462	18.7
121.10125	63.9
123.08021	15.9
123.11674	14.9
131.08546	27.1
133.06485	11.2
133.10106	31.5
135.07986	36.1
135.11661	24.3
137.09598	25.6
138.41174	7.4
142.07767	14.5
143.08562	19.7
145.10104	30.4
147.08054	16.5
147.11664	28.0
149.09604	25.1
151.07509	9.7
155.08560	14.9
157.10101	34.5
159.08014	20.4
159.11665	23.6
161.09605	31.5
161.13264	9.7
163.07472	13.0
163.11201	16.1
165.05481	20.7
165.09077	55.8
166.12341	8.0
169.10071	12.5
171.11714	16.0
173.09572	45.4
175.07582	13.9
175.11157	54.9
177.09171	11.2
177.12714	13.2
179.08548	11.1
181.08572	26.1
181.10056	16.3
183.11668	36.0
185.09636	27.3
185.13193	11.7
187.11096	14.6
189.09114	21.3
189.12691	11.7
191.10609	9.7
193.08508	9.1
193.10149	14.2
194.10947	8.8
195.10115	11.4
195.11720	19.1
197.09612	9.7
197.13170	13.5
199.11157	21.7
199.14832	9.9
201.09090	10.8
201.12685	15.0
203.10641	22.2
203.14323	12.1
207.11667	15.2
208.12607	8.5
209.09641	11.7
209.13210	25.5
211.11191	22.4
211.14734	10.3
213.12727	44.0
214.13504	20.9
215.14285	23.8
217.08366	12.9
218.51434	8.0
219.10138	22.2
221.13321	10.2
223.11244	13.2
225.12703	10.1
227.10629	7.5
227.14301	43.0
229.12276	10.3
231.11775	12.8
231.13771	11.2
235.14749	15.6
237.10939	14.5
237.12975	16.2
243.13818	10.3
243.17401	14.3
245.15451	16.6
249.12579	10.4
251.14288	12.6
253.15932	36.3
255.13779	14.3
263.14252	19.2
267.20853	11.3
269.15305	14.3
271.16888	12.5
273.14905	10.3
277.15817	16.9
279.14001	7.9
279.17307	19.0
281.15363	14.4
281.18912	18.9
283.13306	9.9
287.16342	10.5
289.16034	8.3
292.18130	10.5
293.14734	7.7
293.18881	26.9
295.20462	23.3
297.18478	9.8
307.16779	26.8
307.20129	8.3
309.18155	8.6
311.19849	10.0
313.21262	9.5
321.18457	25.7
323.20081	32.1
325.17950	14.4
339.19464	26.5
341.20804	23.3
349.21567	26.0
357.20602	21.3
359.21823	16.0
363.22974	40.7
365.24756	62.9
367.22650	41.0
377.21222	35.6
381.24112	35.0
391.22501	38.4
395.22083	70.9
396.22903	10.4
399.25354	100.0
409.23727	77.8
427.24435	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.7
55.05500	4.9
57.07079	12.2
67.05502	7.3
69.03418	4.2
69.07064	12.1
69.69206	2.7
69.69604	8.7
71.04980	3.7
79.05486	9.0
81.07053	7.6
83.01318	1.8
83.04968	9.8
85.06522	3.5
91.05457	9.7
93.07032	28.2
95.04959	3.3
95.08605	9.3
98.21458	1.4
103.05449	1.9
105.07008	24.9
107.04972	1.2
107.08583	28.3
109.06480	2.9
109.10151	3.4
113.06010	2.8
117.07005	2.8
119.08567	11.1
121.06514	7.6
121.10131	100.0
122.10438	2.5
123.08049	9.8
123.11678	9.6
126.37510	1.2
127.07523	2.3
130.07762	2.3
131.08510	1.3
133.06482	8.9
133.07492	2.1
133.10114	4.7
135.08034	2.3
135.11681	29.8
137.05936	3.2
138.99097	1.2
141.05450	4.5
143.08577	2.9
145.10114	23.5
146.10863	1.5
147.07983	2.2
149.09616	1.8
151.07582	3.4
153.05518	6.7
157.10115	3.3
159.08034	2.2
159.11682	1.5
160.26414	1.4
161.05910	1.5
161.09544	3.0
163.07526	2.4
163.11168	79.8
164.11548	1.3
165.05470	20.5
167.10692	3.1
169.10135	1.1
171.08006	1.5
171.11685	1.9
173.09581	4.1
175.07527	2.9
175.11143	2.9
177.05489	2.2
177.09105	4.2
179.07036	13.8
179.10651	6.7
181.10130	1.2
183.06552	2.7
183.11574	1.6
185.09586	1.7
187.07387	1.3
189.05484	3.3
189.09091	1.9
191.07053	3.0
191.10707	1.3
193.08640	2.1
201.12578	1.6
203.07018	4.5
205.08652	5.5
207.06464	1.7
209.11533	1.5
209.13304	2.5
213.09154	2.0
218.82811	1.3
219.10086	11.2
221.08130	1.3
221.11656	8.0
223.09523	2.3
225.07471	1.4
227.10509	2.0
229.12173	3.6
231.10118	10.3
233.11548	1.7
237.11119	15.8
245.11687	4.7
251.12689	2.0
257.11823	1.6
259.13351	1.6
263.12646	6.4
269.15305	1.7
269.18454	1.2
271.13168	2.3
275.12741	3.9
275.16098	1.4
283.13284	2.0
285.14795	1.4
287.16391	65.8
289.14264	5.5
291.12329	3.5
307.16898	2.1
323.16379	4.3
325.17953	5.5
339.19495	2.8
341.17371	3.9
341.21140	1.5
343.19067	2.5
343.22662	15.8
357.20486	2.5
359.18170	1.7
359.22128	20.9
371.22144	4.1
373.21756	1.5
391.22546	5.2
409.23306	7.7
427.28955	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	427.2474
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
53.03930	6.5
55.01851	6.5
55.05503	20.7
57.03406	3.5
57.07054	13.2
60.58760	2.7
65.03920	3.7
66.78277	2.8
67.05487	22.4
69.03419	8.8
69.07067	25.6
71.04981	19.9
71.80754	4.0
71.81119	4.2
75.04465	2.8
79.05479	28.7
81.03405	18.1
81.07034	28.0
83.04984	6.8
83.08595	8.0
85.02876	6.2
85.06551	3.6
91.05455	33.8
93.07032	35.9
95.04956	15.5
95.08581	25.6
97.06537	6.7
97.10090	6.0
99.22366	3.1
103.05427	4.8
105.03361	12.4
105.07010	64.0
107.04957	27.1
107.08573	26.2
109.06490	8.9
109.10145	12.7
111.08035	3.9
113.05986	11.3
115.05422	5.6
117.07011	10.3
119.04891	3.1
119.08568	25.3
121.06485	13.0
121.10132	20.6
122.10538	2.7
123.04400	9.1
123.08037	8.9
123.11687	13.9
125.09667	3.6
127.03854	4.7
128.06206	4.5
129.06973	9.5
130.07750	2.7
131.04929	3.1
131.08565	16.2
133.06450	8.0
133.10106	100.0
135.04398	12.0
135.08031	9.5
135.11662	23.5
137.09599	9.7
139.03860	7.0
139.07512	3.7
139.11172	3.8
141.06932	5.2
142.07729	5.8
143.08531	13.4
144.05658	6.3
145.06435	6.4
145.10086	13.2
147.08000	7.1
147.11676	10.6
149.09628	8.5
151.07425	3.7
153.05370	5.1
155.08505	4.3
156.09311	4.6
157.06454	7.2
157.10089	18.6
158.07230	5.4
159.08006	14.9
159.11670	14.3
161.05968	6.5
161.09602	7.0
161.13245	4.6
163.03929	17.1
163.07539	10.0
163.11194	15.6
165.05472	20.0
165.06747	3.9
165.09050	4.0
167.07010	9.2
167.08493	5.1
169.10089	9.7
171.07996	7.1
171.11656	9.0
173.09570	20.4
173.13223	6.4
175.07529	9.2
175.11163	14.0
177.05418	7.8
177.09088	8.8
179.07111	7.1
181.08609	4.4
181.10133	4.1
183.11690	6.8
185.09602	7.3
185.13268	5.1
187.07532	9.9
187.11162	7.0
189.09106	12.2
189.12717	5.5
191.07086	5.3
191.10666	9.7
193.08473	3.5
193.12236	11.0
194.10846	4.7
195.11673	5.3
197.09630	3.6
197.13263	5.7
199.11217	7.9
199.13162	4.1
199.14833	6.3
201.09067	9.9
201.12758	7.8
203.06958	8.0
203.10664	7.6
203.12637	6.7
204.07796	4.5
205.08522	12.4
206.10846	3.2
207.10060	3.6
207.11781	5.6
209.09686	4.1
209.13248	8.7
211.11224	7.0
211.13252	7.7
211.14880	4.8
213.09061	5.5
213.12740	5.5
213.16252	6.9
215.10692	5.9
215.14395	3.9
217.08537	7.2
217.14215	5.2
219.10083	34.5
221.11734	9.4
223.09497	7.0
223.14789	6.0
225.12706	3.9
227.10594	5.6
227.14285	9.0
229.12193	6.6
229.15875	4.2
231.10056	4.0
237.11031	37.2
239.10500	3.3
239.14296	6.4
241.15866	8.0
242.16638	4.5
243.13815	4.2
247.09651	12.4
251.14394	7.0
251.17917	5.1
253.12253	3.5
253.15900	4.7
255.13733	3.9
257.11740	4.3
259.13303	4.2
263.12573	5.7
265.12296	5.4
265.19434	7.5
267.15887	5.9
269.15323	5.2
269.18961	3.2
271.13452	4.7
275.12524	4.2
277.14301	4.3
279.17319	7.8
283.17163	3.7
283.20566	8.1
287.16339	26.1
289.14343	6.1
293.19049	14.1
295.16840	4.1
295.20590	4.5
297.18381	7.7
301.14285	6.2
303.17184	3.3
307.15500	6.6
311.19928	36.2
313.17947	3.6
315.15997	7.1
315.19400	4.6
321.18460	13.7
323.16385	8.1
333.17090	12.7
339.19485	47.4
341.17352	10.0
343.22803	5.4
345.21909	3.6
351.19141	4.6
357.20547	22.9
359.22122	21.1
363.23083	6.4
365.24667	5.4
369.20889	5.0
373.21555	8.9
381.24179	11.7
385.12396	3.8
391.22626	39.7
409.23560	72.0
410.24200	5.6
427.17548	79.7
427.24792	89.6
428.17627	10.8
428.25061	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	427.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21889	2.8
55.05490	6.4
55.37871	2.3
57.07061	19.5
65.12926	2.2
67.05495	14.3
69.03426	5.4
69.07053	42.4
70.93338	5.4
70.93694	5.2
71.04971	8.8
74.31477	2.7
79.05486	12.5
81.03366	4.3
81.07035	9.2
83.01328	10.1
83.04993	6.6
85.02892	2.5
85.06510	4.2
86.51332	2.4
89.03780	2.8
91.05460	16.6
91.62820	2.6
93.07030	17.9
95.04958	5.3
95.08596	24.3
97.06508	4.2
102.58453	2.5
105.03358	6.2
105.07004	31.5
107.04942	4.0
107.08563	29.2
109.06490	7.4
109.10147	12.6
111.08009	3.2
113.05983	4.3
117.07001	4.3
119.08561	12.3
121.06503	5.0
121.10132	26.8
122.10856	3.0
123.08022	6.5
123.11686	10.9
125.02343	5.2
128.06236	3.5
129.07022	4.4
131.08525	10.7
133.06502	2.8
133.10107	40.3
135.08066	5.5
135.11671	16.5
139.03871	3.4
139.11113	3.2
141.05486	3.2
143.08539	5.4
145.06439	2.7
145.10110	18.2
147.07947	2.8
147.11691	5.8
149.05901	3.7
149.09589	5.5
151.03949	3.2
153.05476	3.5
157.10048	5.5
159.08028	4.5
159.11667	6.4
161.09645	3.3
163.07492	8.3
163.11147	11.6
165.05420	14.6
165.09114	6.4
167.03339	4.4
169.04932	65.3
169.10245	3.2
171.07970	5.7
173.05943	3.1
173.09583	44.8
175.11163	13.5
177.05440	9.6
177.09097	4.2
179.03355	6.3
179.06950	3.4
181.08626	3.2
183.11679	3.5
185.13141	2.8
187.07402	4.2
187.11298	3.5
191.07004	16.7
191.10632	4.2
195.06442	6.9
197.13272	3.3
201.09027	4.2
203.10638	3.7
205.08575	6.3
209.08012	31.8
210.08698	6.5
213.09206	3.8
213.12737	3.7
215.10699	3.5
217.12383	2.7
219.10097	33.9
221.07811	3.1
229.08524	7.3
229.12222	5.9
230.02263	2.7
233.07936	5.4
237.10971	20.5
239.09128	6.4
241.08530	28.4
241.12129	3.2
243.10379	3.2
243.13802	7.3
247.09509	16.2
251.09007	5.5
251.17902	3.2
253.12206	3.8
255.13799	2.9
265.12241	18.1
269.10101	4.2
271.13229	33.7
283.13281	24.4
287.13055	3.8
287.16345	15.4
289.14294	100.0
290.14499	4.9
297.14825	3.8
301.14310	7.0
303.17319	3.0
305.13809	7.6
307.15332	4.8
311.19931	4.9
315.15826	12.8
321.18466	16.4
323.16232	2.9
327.19376	2.9
329.21030	3.3
331.18903	3.3
339.19522	42.0
343.18869	4.3
355.18768	4.4
357.20596	29.6
358.21347	7.4
359.18402	90.6
359.21976	6.9
363.23114	3.8
373.21164	3.7
391.21155	39.2
409.23532	19.8
427.19128	4.9
427.24701	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24419	0.2
55.01862	0.5
55.28816	0.2
57.04546	0.3
58.79084	0.2
67.05470	0.3
68.99773	1.1
69.03408	0.3
69.86102	0.9
69.86533	0.7
71.01395	0.2
74.09731	0.2
79.05453	0.2
85.02884	0.4
94.04052	1.2
95.04971	0.3
97.02859	0.3
97.10155	0.4
98.21458	0.3
105.03396	0.4
107.04934	0.4
110.01514	0.2
111.00803	0.6
111.04399	0.7
112.05104	0.3
114.05525	0.3
119.04913	0.2
121.02812	0.3
121.06448	0.2
123.04412	9.8
123.06671	0.9
124.04839	0.4
127.03899	0.7
135.04420	1.9
137.02341	0.3
137.05966	0.3
139.03888	15.2
140.04208	0.3
145.06503	0.2
147.04393	0.7
149.02252	0.4
149.05957	0.4
150.07732	100.0
151.03847	1.2
151.08060	0.9
159.04474	0.3
161.05907	0.6
163.03883	3.8
165.05450	0.8
167.03401	1.8
173.05951	0.3
175.03896	1.2
177.05475	0.9
179.03346	1.7
181.04881	0.3
181.06450	0.2
187.03876	0.7
189.01845	0.2
189.05464	0.9
191.03391	4.8
191.87735	0.2
193.04962	1.5
197.06116	0.2
201.05498	1.6
202.79271	0.2
203.03365	3.1
205.04985	0.5
213.05420	0.8
215.03326	0.5
217.04926	0.8
226.59839	0.2
229.04918	2.7
233.04436	2.0
241.05052	0.3
245.04469	2.1
247.05991	3.1
251.05553	0.5
255.06418	0.6
257.04456	4.3
258.05075	0.5
259.05963	1.7
264.12186	0.5
265.10153	0.3
265.12671	0.6
266.74783	0.2
268.09674	0.3
269.04428	0.9
271.05972	1.0
275.05450	7.5
276.05780	0.3
276.84894	0.3
282.11932	0.9
283.05988	1.9
287.05457	10.5
288.05865	0.4
289.07037	0.7
295.11462	25.5
295.71130	0.2
296.11783	0.7
299.05490	0.6
301.07007	2.4
314.10126	0.2
331.12912	0.5
335.94153	0.2
360.07901	0.2
391.08221	0.4
391.15076	0.5
409.09128	5.7
409.15338	0.3
410.09540	0.5
427.10303	0.7
427.19330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01854	1.6
55.05503	10.3
56.58762	1.2
57.07043	1.5
67.01842	3.0
67.05475	4.1
68.85777	1.2
68.99783	6.3
69.03403	2.5
69.07050	15.0
79.05495	5.9
81.03395	1.2
81.07024	3.5
83.04932	1.9
83.08610	11.0
91.05472	9.1
93.07042	10.0
95.04938	2.5
95.08578	3.4
97.06467	1.6
98.21461	3.3
103.05428	1.7
105.07016	11.1
107.04923	2.0
107.08585	10.8
109.10122	2.0
111.00758	2.1
115.05412	3.5
117.06976	3.8
119.04958	1.5
119.08549	9.4
121.06487	2.1
121.10132	19.8
123.04380	3.0
123.08015	2.0
123.11652	1.9
128.06201	2.6
129.06996	6.8
131.08530	2.4
133.06424	2.5
133.10095	3.7
135.04350	1.3
135.07994	1.3
135.11670	1.8
139.03873	3.2
141.06900	1.6
142.07713	1.8
143.08531	6.6
145.06454	2.6
145.10060	4.3
147.04367	2.6
147.11609	2.1
151.03856	1.5
153.01811	66.8
153.05341	1.6
155.08499	3.5
157.06532	1.7
157.10092	4.5
159.04333	2.2
159.07991	2.6
159.11609	4.8
161.05968	1.7
161.09502	1.3
163.03848	6.4
165.01811	2.1
165.05463	3.2
169.06444	2.2
169.09973	1.5
171.07962	2.0
171.11696	1.8
173.09531	3.7
175.03799	3.6
177.05463	2.9
177.09050	1.4
179.03375	11.6
179.08540	2.3
183.08015	4.5
183.11638	1.7
185.05984	1.2
185.09593	2.8
185.13202	3.3
187.04007	1.2
187.07414	1.9
189.05412	1.7
189.08986	1.6
191.03229	1.8
193.04895	3.6
197.05898	2.0
197.09549	4.2
201.05402	2.2
201.09131	1.5
203.03372	31.7
205.04874	5.6
205.08348	2.2
207.01019	2.3
207.02872	31.4
211.07460	4.4
211.11308	2.2
215.07057	1.9
216.04149	1.9
217.03371	1.1
217.04965	11.7
219.02922	1.6
219.06503	2.0
219.10114	4.4
221.04402	2.6
221.11568	1.4
225.09097	2.2
225.12624	1.8
229.04836	6.1
229.08495	1.4
229.12219	2.9
230.05766	4.1
231.02875	24.5
231.06433	3.2
235.07425	3.3
237.03741	2.5
237.11118	4.4
238.06108	2.4
239.06984	1.9
239.10654	1.9
240.07645	1.7
241.08583	1.7
243.06467	4.0
245.04504	1.6
247.02162	2.8
249.03868	10.4
253.08556	6.5
253.12216	3.0
255.06403	4.1
257.04446	2.1
261.03973	2.3
263.05423	17.6
264.07678	1.5
265.08441	1.5
266.05765	14.7
267.06372	7.3
267.10120	2.3
268.07303	1.8
269.07953	4.4
271.09467	3.4
275.05490	9.0
277.07022	3.6
279.06427	4.6
280.07285	18.9
281.08075	29.4
281.11218	2.8
282.08603	1.5
283.09552	5.0
285.07449	4.0
287.05136	1.3
287.16409	2.6
289.06992	5.6
293.08066	2.6
294.05133	15.8
294.08578	3.2
295.06244	1.7
295.09531	13.7
295.13065	3.3
297.07529	2.9
297.11011	3.7
299.09061	2.1
301.06982	5.1
303.08600	4.0
307.05820	2.6
307.09549	3.6
308.06778	14.3
309.07556	26.1
309.10907	2.4
315.08508	18.5
321.11050	2.7
323.08997	14.0
323.12747	7.6
327.08594	100.0
328.08813	3.9
337.14221	3.2
339.15976	2.2
341.10156	60.3
349.10678	3.0
355.11545	2.7
359.21973	3.7
363.12177	1.9
365.13757	9.7
371.14902	2.3
381.13095	9.1
383.14856	56.2
384.15167	3.6
391.22183	1.9
409.12662	10.7
409.23547	4.6
427.13660	49.3
427.24988	3.7
428.14130	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	427.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01854	1.6
55.05503	10.3
56.58762	1.2
57.07043	1.5
67.01842	3.0
67.05475	4.1
68.85777	1.2
68.99783	6.3
69.03403	2.5
69.07050	15.0
79.05495	5.9
81.03395	1.2
81.07024	3.5
83.04932	1.9
83.08610	11.0
91.05472	9.1
93.07042	10.0
95.04938	2.5
95.08578	3.4
97.06467	1.6
98.21461	3.3
103.05428	1.7
105.07016	11.1
107.04923	2.0
107.08585	10.8
109.10122	2.0
111.00758	2.1
115.05412	3.5
117.06976	3.8
119.04958	1.5
119.08549	9.4
121.06487	2.1
121.10132	19.8
123.04380	3.0
123.08015	2.0
123.11652	1.9
128.06201	2.6
129.06996	6.8
131.08530	2.4
133.06424	2.5
133.10095	3.7
135.04350	1.3
135.07994	1.3
135.11670	1.8
139.03873	3.2
141.06900	1.6
142.07713	1.8
143.08531	6.6
145.06454	2.6
145.10060	4.3
147.04367	2.6
147.11609	2.1
151.03856	1.5
153.01811	66.8
153.05341	1.6
155.08499	3.5
157.06532	1.7
157.10092	4.5
159.04333	2.2
159.07991	2.6
159.11609	4.8
161.05968	1.7
161.09502	1.3
163.03848	6.4
165.01811	2.1
165.05463	3.2
169.06444	2.2
169.09973	1.5
171.07962	2.0
171.11696	1.8
173.09531	3.7
175.03799	3.6
177.05463	2.9
177.09050	1.4
179.03375	11.6
179.08540	2.3
183.08015	4.5
183.11638	1.7
185.05984	1.2
185.09593	2.8
185.13202	3.3
187.04007	1.2
187.07414	1.9
189.05412	1.7
189.08986	1.6
191.03229	1.8
193.04895	3.6
197.05898	2.0
197.09549	4.2
201.05402	2.2
201.09131	1.5
203.03372	31.7
205.04874	5.6
205.08348	2.2
207.01019	2.3
207.02872	31.4
211.07460	4.4
211.11308	2.2
215.07057	1.9
216.04149	1.9
217.03371	1.1
217.04965	11.7
219.02922	1.6
219.06503	2.0
219.10114	4.4
221.04402	2.6
221.11568	1.4
225.09097	2.2
225.12624	1.8
229.04836	6.1
229.08495	1.4
229.12219	2.9
230.05766	4.1
231.02875	24.5
231.06433	3.2
235.07425	3.3
237.03741	2.5
237.11118	4.4
238.06108	2.4
239.06984	1.9
239.10654	1.9
240.07645	1.7
241.08583	1.7
243.06467	4.0
245.04504	1.6
247.02162	2.8
249.03868	10.4
253.08556	6.5
253.12216	3.0
255.06403	4.1
257.04446	2.1
261.03973	2.3
263.05423	17.6
264.07678	1.5
265.08441	1.5
266.05765	14.7
267.06372	7.3
267.10120	2.3
268.07303	1.8
269.07953	4.4
271.09467	3.4
275.05490	9.0
277.07022	3.6
279.06427	4.6
280.07285	18.9
281.08075	29.4
281.11218	2.8
282.08603	1.5
283.09552	5.0
285.07449	4.0
287.05136	1.3
287.16409	2.6
289.06992	5.6
293.08066	2.6
294.05133	15.8
294.08578	3.2
295.06244	1.7
295.09531	13.7
295.13065	3.3
297.07529	2.9
297.11011	3.7
299.09061	2.1
301.06982	5.1
303.08600	4.0
307.05820	2.6
307.09549	3.6
308.06778	14.3
309.07556	26.1
309.10907	2.4
315.08508	18.5
321.11050	2.7
323.08997	14.0
323.12747	7.6
327.08594	100.0
328.08813	3.9
337.14221	3.2
339.15976	2.2
341.10156	60.3
349.10678	3.0
355.11545	2.7
359.21973	3.7
363.12177	1.9
365.13757	9.7
371.14902	2.3
381.13095	9.1
383.14856	56.2
384.15167	3.6
391.22183	1.9
409.12662	10.7
409.23547	4.6
427.13660	49.3
427.24988	3.7
428.14130	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	427.1022
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02384	0.7
53.03947	0.7
55.01863	3.0
55.05501	0.6
65.03941	1.0
67.01868	0.5
67.05482	1.3
68.46971	0.4
68.99776	8.6
69.03405	1.0
70.44782	2.1
71.01324	0.4
71.62725	0.4
77.03917	1.1
79.05482	1.3
81.03390	0.8
81.07062	0.6
83.01314	0.5
83.04949	0.6
85.02880	0.8
89.03931	0.5
91.05463	1.4
91.73019	0.5
93.03381	1.1
95.04948	2.5
97.02889	1.1
98.21379	0.5
98.75237	0.4
101.28093	0.4
103.05473	0.5
105.03365	1.8
105.04485	0.5
105.07015	1.0
107.04941	2.8
109.02848	1.1
111.00797	4.4
111.04419	3.9
115.05446	0.5
117.07014	0.7
119.04922	2.3
121.02877	3.1
121.06438	0.6
123.04414	64.3
124.04768	1.7
124.07578	1.4
127.03902	3.8
131.04918	1.7
133.02863	0.5
133.06445	0.7
135.04399	15.9
137.02335	1.9
137.05977	2.9
139.03880	100.0
140.04239	1.2
141.01707	0.5
142.12939	0.4
143.04929	0.9
145.02812	1.0
145.06465	1.6
147.04398	5.7
149.02316	2.0
149.05963	1.8
150.07733	20.6
151.03896	9.0
152.06223	0.5
153.01817	1.2
153.06998	1.4
155.04858	0.9
157.06511	1.2
159.04393	1.7
161.02361	0.9
161.05946	3.6
163.03879	24.3
165.01822	0.9
165.05464	7.3
167.03386	16.0
167.04755	0.7
169.06445	1.0
171.04448	0.7
173.05954	2.5
175.03873	7.6
175.05255	0.7
177.05438	6.8
179.03378	10.7
179.04881	0.9
181.04962	1.2
181.06509	1.3
183.04327	0.5
185.05962	2.6
187.03885	4.4
187.07552	0.5
189.05449	6.9
191.03371	36.6
193.04926	9.8
197.05959	1.8
199.03970	0.5
199.07498	1.0
200.04782	0.5
201.05432	11.2
202.05928	0.5
203.03362	23.9
203.07033	1.6
204.03702	0.5
205.04970	5.5
209.05989	1.0
213.05412	3.9
215.03346	3.4
215.07053	0.8
216.04178	0.5
217.04950	4.4
219.06517	1.4
223.02255	0.6
225.05505	0.7
227.07045	1.4
229.04944	17.3
230.05647	1.2
231.06573	2.3
233.04443	14.9
237.05402	1.2
241.04886	4.1
243.06528	0.9
245.04420	12.9
247.05984	22.2
247.11494	0.9
251.05420	5.7
255.06508	5.5
257.04416	31.7
258.05252	2.9
259.06018	12.2
264.12274	2.1
265.10144	0.7
265.12692	3.0
269.04428	5.1
271.05960	6.0
273.07559	0.8
275.05457	50.3
276.05692	0.5
283.05963	17.2
287.05463	73.9
288.05850	1.5
289.07043	2.9
295.11456	5.0
299.05487	6.2
301.07025	16.2
302.07501	0.5
358.81650	0.6
367.08072	0.9
374.12234	0.5
379.07916	1.0
391.08057	2.0
409.09146	38.4
410.09491	1.3
427.10028	6.4
427.19351	1.5
427.28928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15894	2.3
55.01859	8.3
55.05489	3.1
55.59772	2.2
56.97874	2.2
57.03431	29.1
60.04504	3.3
61.02917	18.4
65.71625	2.1
67.05514	4.4
69.03423	46.2
69.07054	11.4
70.06564	9.3
70.16592	13.2
71.01344	4.1
71.04969	5.5
73.02909	79.7
79.05445	3.3
81.03391	6.6
81.07032	7.6
83.08614	3.6
84.04520	2.6
84.62231	2.4
85.02895	100.0
85.06502	3.2
85.22270	2.2
86.03204	2.8
87.04427	5.0
91.03951	4.6
91.05483	5.9
93.07001	5.1
95.08569	4.7
97.02883	62.1
97.06506	7.3
98.20776	4.0
99.04428	7.0
99.08105	2.5
103.03917	4.0
105.07015	3.8
105.12631	3.1
109.02866	9.5
109.06529	4.0
109.10102	2.9
110.07140	5.7
115.03918	49.3
115.07568	7.4
116.07076	9.3
119.04936	2.9
121.10081	2.8
122.02686	3.5
123.04425	12.0
126.09142	22.5
127.03908	36.9
128.04204	2.3
130.04956	2.7
133.04948	45.8
139.03880	11.1
143.07013	6.4
144.06546	6.3
145.04948	51.1
147.04257	2.6
147.11664	4.9
150.07646	6.9
151.03740	2.6
153.01852	2.6
162.07593	6.7
163.03903	4.5
163.06046	21.3
164.03781	2.8
167.03406	2.6
179.03375	5.5
180.08632	8.8
191.03435	4.0
193.12238	5.3
193.73772	2.6
203.03293	3.6
211.13251	6.5
223.05998	4.2
225.78181	2.6
229.10617	3.4
241.07007	7.2
245.04518	3.6
246.04819	3.8
257.04364	4.9
259.08163	6.7
261.03891	2.6
264.05084	4.8
264.12173	4.0
265.09753	7.8
275.05344	5.8
277.09039	3.6
287.05475	8.7
288.05783	4.2
357.89832	2.6
358.20898	3.3
408.20551	5.5
426.18652	9.4
427.19458	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01867	11.9
55.05496	4.7
56.05005	2.2
57.03429	26.1
60.04504	2.4
61.02915	18.9
63.79294	1.9
65.40675	2.1
67.05483	4.8
68.99789	2.0
69.03423	37.7
69.07059	11.2
70.03687	2.2
70.06592	6.5
71.01328	3.6
71.04977	4.6
71.37263	3.7
73.02906	94.4
79.05485	2.5
80.35536	2.1
81.03397	5.7
81.07047	5.2
83.04966	3.1
83.08607	3.1
85.02890	100.0
87.04457	5.7
91.03931	4.4
91.05466	3.8
93.07027	3.3
95.04971	3.4
95.08591	2.3
96.04501	2.7
97.02246	3.9
97.02876	64.3
97.06496	5.3
98.06049	2.8
99.04453	5.4
103.03921	2.9
105.07010	4.4
107.04881	2.0
107.08643	1.9
109.02867	7.3
110.07173	4.4
111.04420	2.0
115.03905	43.1
115.07561	7.8
116.07079	7.7
121.10099	3.1
122.02687	4.3
123.04400	9.1
126.09134	28.1
127.03896	37.6
132.06590	2.6
133.04945	51.9
133.10120	3.7
135.04379	3.8
136.07559	2.7
139.03882	11.3
143.07022	7.2
144.06505	3.9
145.04935	52.1
147.04395	3.3
147.11778	2.3
150.07597	8.5
153.01747	4.1
154.02206	2.5
159.08377	3.2
163.03896	2.7
163.05978	17.5
179.03369	2.2
180.08672	10.7
191.03342	2.6
193.04939	3.3
199.06009	3.0
204.03723	1.9
211.13316	4.6
219.10033	2.6
223.06046	5.9
229.14378	3.1
241.07065	5.3
245.04312	4.8
246.04736	2.3
246.11363	2.8
257.04459	2.6
259.08157	10.9
264.12457	9.2
265.09686	8.1
275.05530	2.3
287.05478	6.8
294.11765	3.0
294.15085	2.4
295.10190	5.5
408.08194	2.8
408.20474	7.1
409.09253	3.9
426.18738	9.5
427.14209	4.2
427.19415	69.3
437.73547	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	425.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.05505	8.5
55.54602	1.0
56.61707	0.9
56.68661	1.0
57.07063	2.9
67.05499	18.7
69.07059	21.7
69.64741	9.6
71.08621	1.3
77.25957	0.9
77.74804	1.0
79.05476	13.3
81.07045	100.0
82.07367	2.1
83.08591	4.8
91.05467	7.2
93.07036	24.4
95.04977	2.3
95.08596	50.7
97.10169	3.3
105.07040	5.1
107.08572	17.0
109.06519	2.3
109.10143	24.1
111.11724	2.7
117.06989	1.0
119.08570	4.6
121.06438	1.9
121.10125	16.2
123.11692	12.1
128.08292	1.0
131.08522	1.4
133.10101	3.7
135.08014	1.5
135.11685	9.7
137.05975	5.9
137.13260	7.8
139.07536	4.7
141.05431	7.1
145.10104	1.4
147.11693	4.3
149.05937	6.4
149.13222	12.2
151.07529	6.4
159.11694	2.4
161.05978	1.4
161.13210	1.2
163.07539	1.1
163.14790	4.1
165.05475	3.2
165.09056	2.4
165.16426	1.1
167.07018	81.2
168.07352	2.7
173.09422	1.0
175.07521	1.3
175.14870	2.4
177.09024	1.6
177.16374	3.7
179.10651	1.7
181.08603	6.4
189.09131	2.7
189.16447	1.3
191.07016	3.4
191.17859	1.4
193.08586	2.4
201.09096	1.4
203.17917	2.6
205.08578	5.0
205.19566	1.7
207.10187	7.3
215.10657	4.0
219.10138	3.4
221.11633	1.3
233.11719	3.2
247.13240	1.4
259.24203	3.0
273.14990	1.1
275.16336	2.1
280.01724	1.0
407.29349	1.2
425.30591	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.01839	1.3
55.05502	5.9
55.97581	0.6
57.03409	1.4
57.07065	73.1
57.07337	2.5
57.07473	2.0
58.07377	0.7
59.04987	7.3
59.62383	0.6
64.18221	0.6
65.03908	0.8
67.05490	9.9
69.03399	1.4
69.07056	19.7
69.46691	6.2
79.05484	4.2
81.07040	8.6
83.01329	3.9
83.04974	3.0
83.08607	6.3
85.06026	0.8
85.06525	12.7
85.87917	0.6
91.05013	0.5
91.05465	6.9
93.07034	11.1
95.04922	2.2
95.08588	15.2
96.08884	0.7
97.06487	1.2
97.10111	1.3
98.21401	1.1
105.03349	1.4
105.07009	9.4
107.04915	1.8
107.08572	13.8
109.06503	8.8
109.10132	12.2
111.11743	0.7
115.05429	0.6
117.06974	1.8
119.04895	2.5
119.08581	6.3
121.06474	5.6
121.10119	8.5
123.04398	1.2
123.08043	9.0
123.11691	6.1
127.07522	1.3
128.06209	0.7
129.06967	2.0
130.07759	0.7
131.08531	3.4
133.06421	1.7
133.10107	10.7
135.04378	5.6
135.08052	3.9
135.11678	8.4
137.05901	2.2
139.03860	1.3
141.06984	0.7
142.07732	1.6
143.08510	2.8
145.06435	2.0
145.10110	6.8
147.04347	0.9
147.08008	2.9
147.11668	3.1
149.05890	1.9
149.09590	4.2
151.00220	0.7
151.03894	0.9
151.07397	1.4
153.05443	1.8
155.08484	2.2
156.09270	1.7
157.10068	2.6
158.07217	1.0
159.08005	2.9
159.11606	2.7
161.05887	1.5
161.09583	3.9
163.07483	2.7
163.11203	0.8
163.14838	1.7
165.05382	2.0
165.06866	1.1
165.09068	1.5
167.06982	1.0
167.08444	0.8
169.10066	1.4
169.28793	0.7
169.55008	0.6
171.06516	1.3
171.07997	1.4
171.11618	3.1
173.05980	1.9
173.09628	6.6
173.13264	0.8
175.07489	5.5
175.11168	4.6
175.14810	0.9
177.05446	11.9
177.09088	9.6
179.03391	8.9
179.06946	2.4
179.08426	1.0
179.10669	1.3
181.10091	0.9
182.07350	0.8
182.10826	0.7
183.11674	1.2
185.09512	1.7
185.13182	1.5
187.07628	1.5
187.11104	2.9
189.05429	7.8
189.09076	2.3
189.16273	1.7
191.07045	3.6
191.08479	0.6
191.10649	4.3
193.04996	3.3
193.08626	4.0
193.10078	1.2
195.10089	2.0
195.11688	1.2
197.04381	2.5
197.09560	1.6
197.13153	1.1
199.11160	2.4
201.05461	2.5
201.09077	9.0
201.12723	1.2
201.16336	2.0
202.09703	0.7
203.06990	2.9
203.10634	3.9
203.14285	2.2
203.18008	0.7
205.04895	0.8
205.08435	0.9
207.06462	13.6
207.10036	1.7
209.07977	3.3
211.11121	1.5
213.09236	0.8
215.07010	7.1
215.10640	2.4
217.04938	3.5
217.08543	2.2
217.12175	1.2
217.15785	0.9
219.06482	3.3
219.10118	30.9
220.10492	1.4
221.11580	1.0
223.09547	1.6
223.14798	0.7
224.11894	1.4
225.07495	31.0
225.12642	0.9
226.07745	1.2
227.10600	2.2
229.08548	17.9
229.12077	1.0
229.15790	0.8
230.09073	1.2
231.10065	1.8
231.13795	3.8
233.11687	2.6
235.06012	0.8
235.09605	15.5
236.09912	0.8
237.08954	1.0
237.11162	13.4
239.14374	2.1
241.08485	2.6
241.12163	1.2
241.15813	1.0
243.10132	26.6
244.10432	1.1
245.07996	1.5
245.11670	18.2
247.07317	1.0
247.09622	10.0
249.11082	3.7
249.14766	4.4
251.12737	1.8
255.10091	2.2
256.10782	1.3
257.11658	1.8
257.15338	3.7
259.09619	1.0
259.13297	1.5
261.11176	17.1
261.14532	0.7
267.13702	2.5
270.12442	1.1
273.11169	6.1
273.14780	2.3
275.12778	1.0
275.16379	1.8
281.11755	0.8
281.18872	1.4
283.16855	1.0
285.14813	22.6
287.12820	1.0
287.16241	1.0
291.15915	4.8
295.13202	1.1
297.14743	1.8
301.14233	3.5
301.17966	3.0
303.15863	100.0
304.16129	4.8
305.18292	0.7
311.16376	2.0
311.19861	1.1
315.15881	2.6
321.18408	2.3
323.20053	1.8
325.17871	1.2
329.17398	6.5
333.18259	0.7
337.18051	1.1
339.19504	12.0
341.17389	0.7
341.21042	10.7
343.18976	4.0
351.19598	3.0
353.66376	0.8
355.19083	1.8
357.20538	57.0
358.20947	4.9
365.21060	1.4
369.20514	2.2
383.22058	0.8
385.33221	0.8
389.24771	3.3
397.27185	3.0
407.25797	5.7
425.26822	56.7
426.27164	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	425.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.2
57.03442	2.1
57.07069	66.7
67.05499	5.4
69.03404	1.7
69.07061	40.3
69.76635	8.0
79.05478	5.2
81.07042	6.4
83.01340	6.7
83.04973	2.7
83.08595	1.4
85.06537	10.7
91.05468	8.1
93.07047	6.8
95.08596	14.3
97.10138	2.3
98.20708	2.5
105.07014	16.8
107.08588	14.5
109.06495	5.2
109.10131	8.5
115.05442	1.4
117.07035	2.8
119.04922	4.1
119.08574	9.8
121.06450	1.4
121.10139	20.6
123.08089	2.9
123.11704	2.7
130.07790	1.9
131.08537	7.2
133.10120	25.4
135.08046	4.2
135.11676	6.7
137.05991	2.0
137.09622	1.7
137.13240	2.3
142.07756	1.4
143.08546	3.6
143.18115	1.1
145.10117	11.6
147.08044	1.9
147.11694	4.9
149.09621	4.4
149.13254	2.0
151.11200	1.2
155.08583	1.6
157.10127	5.0
159.08040	10.1
159.11646	8.4
161.05927	1.5
161.09631	3.1
161.13255	1.7
163.07501	3.0
163.11169	3.6
165.05476	8.5
169.10121	4.0
171.06549	3.7
171.08000	1.6
171.11742	2.4
173.09619	14.5
173.13260	3.4
175.07585	2.6
175.11189	3.7
177.05493	1.8
177.09120	8.7
179.08551	1.3
181.10127	2.1
183.11696	2.8
185.09645	2.4
185.13330	2.6
187.11201	2.0
187.14842	2.1
191.07109	1.9
191.10631	3.3
195.11687	1.6
197.09560	3.2
197.13301	4.7
199.11258	3.0
199.14819	2.9
201.09090	13.0
201.12614	1.2
201.16431	1.6
205.08612	2.8
206.10890	1.2
207.11717	2.0
209.13260	2.5
210.10316	1.1
211.11229	2.2
211.14806	4.4
212.07985	1.3
213.09241	1.9
213.12845	1.4
213.16376	3.9
215.10663	1.6
215.14410	1.1
215.17981	3.4
217.08630	1.6
217.12141	2.6
219.10101	40.4
221.09792	1.2
221.11670	4.5
223.09491	2.3
223.14828	1.9
225.09059	1.8
225.12738	3.1
229.15767	1.8
235.14964	1.6
237.11169	45.7
239.14340	4.2
241.12270	1.9
243.10254	2.7
243.21158	4.2
245.11775	1.3
251.14348	1.7
253.12300	2.2
253.19514	2.2
255.13826	2.0
255.21101	6.0
257.15341	1.5
261.16531	2.7
265.12329	2.3
267.13724	9.6
271.13306	1.8
271.20535	9.9
273.14911	2.2
277.12155	2.3
277.15515	1.2
279.13791	3.1
281.15994	1.5
281.18912	6.8
283.13428	1.7
283.16974	1.4
285.14810	16.5
287.16370	2.1
289.14371	2.6
291.13818	3.4
292.14410	1.2
293.15433	1.4
295.13150	1.9
297.14877	5.0
299.16437	1.7
303.15872	10.8
305.17856	2.3
309.14813	2.3
311.16556	1.3
315.16095	4.9
317.21307	2.5
321.18536	6.3
323.16333	3.4
323.20132	6.1
327.11279	1.3
333.18457	3.7
337.18134	2.6
339.19522	42.4
340.19800	2.5
341.17535	1.2
341.21088	26.4
342.21512	2.3
347.20233	1.8
351.19525	9.4
355.19156	1.4
357.20551	100.0
358.20999	5.4
365.20953	2.0
369.20648	2.7
389.24722	17.8
407.25739	32.0
408.26001	1.4
425.26859	43.4
426.27393	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	425.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66951	0.4
51.39192	0.5
57.03428	0.7
57.07062	3.9
67.05478	1.3
69.07061	8.1
69.63847	1.1
69.64249	4.5
79.05468	1.1
81.07024	1.2
83.01330	1.7
85.06533	0.5
91.05476	4.4
93.07022	2.1
95.08590	1.3
99.41554	0.5
102.10068	0.4
105.06338	0.8
105.07009	8.5
107.08571	8.3
109.06485	0.6
109.10157	1.5
117.06994	0.7
119.08549	0.9
121.10107	2.3
129.07033	0.4
131.08521	1.5
133.09164	1.0
133.10120	13.0
135.08022	2.0
137.09639	0.5
139.03870	0.6
143.08557	0.6
145.10141	0.9
147.07971	0.7
149.09610	0.5
153.05435	0.5
159.08046	0.5
163.07513	1.5
163.11171	0.9
165.05489	1.3
173.09587	1.6
175.07521	0.8
175.11165	1.9
176.08224	0.5
177.05441	0.6
177.09106	2.8
189.09090	0.7
191.06964	1.2
191.10628	2.6
201.09120	1.4
205.08578	1.2
209.07993	0.6
217.08595	1.1
219.10135	22.8
220.62808	0.5
231.10153	0.5
233.11725	0.8
235.09544	1.6
237.11182	11.6
239.10643	0.5
240.11440	0.6
241.12157	0.7
243.10193	0.9
245.11749	0.8
255.13782	0.8
257.11743	1.7
259.13159	0.6
263.12698	0.8
267.13876	0.9
268.11014	0.5
269.15497	0.8
279.13754	0.5
283.13263	1.4
285.14661	2.7
294.12231	0.7
295.13232	1.2
297.14838	2.0
297.18341	0.7
299.12762	0.6
309.14746	1.6
310.15610	0.6
311.19992	0.9
315.15872	1.4
321.18411	1.1
323.16672	2.5
324.16858	0.8
339.19543	11.2
341.17444	2.7
341.21237	1.3
355.19055	1.9
356.19781	1.9
357.20557	100.0
358.20941	6.6
398.08844	0.5
425.26807	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	425.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
57.03416	1.7
57.06795	0.8
57.07067	12.0
67.05479	2.7
69.03407	0.8
69.07057	28.4
70.99122	1.3
70.99494	1.3
78.97006	0.6
79.05481	1.6
81.07009	1.5
83.01322	4.1
83.04975	0.6
85.06531	1.8
91.05468	3.3
93.07027	1.7
95.04918	0.6
95.08584	7.1
97.10146	1.2
105.07021	7.2
107.08573	8.3
109.06504	1.5
109.10123	1.8
117.06985	0.9
119.04920	4.9
119.08572	1.8
121.10134	3.0
129.06998	0.7
131.08542	1.7
133.10098	8.0
135.08035	3.8
135.11633	0.6
137.05981	0.6
137.09543	0.9
143.08542	1.6
145.10150	2.9
147.11679	1.4
149.09599	0.7
153.05414	0.9
157.10065	1.5
159.08057	1.4
159.11647	1.5
163.07530	1.5
163.11153	1.1
165.05475	3.4
167.08597	0.7
169.10089	1.8
173.09578	8.0
175.07564	1.4
175.11122	2.1
176.08366	0.8
176.94576	0.6
177.09116	4.3
181.10152	0.7
183.11595	0.8
191.07021	0.7
191.10622	1.8
193.10201	1.0
195.11678	1.6
197.13193	1.5
199.11203	1.7
201.09081	2.0
201.12738	0.9
205.08479	1.3
208.12466	0.7
209.13261	1.0
211.09615	0.7
211.14850	1.4
215.10490	0.7
216.02293	0.7
219.10104	27.7
220.10497	0.9
221.09805	0.6
221.11699	2.3
221.13509	1.0
223.14810	1.0
225.09116	1.3
233.13354	1.5
235.11162	0.7
235.14812	1.4
237.11148	30.4
237.16316	1.1
239.14305	2.5
241.12239	0.8
243.10123	1.3
243.13728	1.2
247.14920	1.2
251.14427	1.5
260.15649	1.0
261.16687	1.3
262.09790	0.7
263.14264	2.4
263.17749	0.6
265.12143	1.6
265.15869	1.5
267.13763	6.2
274.16922	0.6
275.14224	1.2
275.17883	0.6
276.14987	0.7
277.12170	2.4
277.15747	1.1
277.18961	0.6
279.13852	1.6
283.13248	2.0
283.16782	1.4
285.14896	3.5
289.12082	0.8
289.15555	0.6
291.13916	1.5
292.14505	1.4
297.14767	2.7
299.16443	1.3
303.17230	1.0
305.18665	2.3
311.20129	0.7
315.15738	3.8
318.15952	1.0
321.18405	7.8
321.21930	0.8
323.20035	3.5
333.18402	3.3
337.21689	1.0
339.19495	44.2
340.19904	2.3
341.21091	6.4
351.19525	8.4
357.20541	100.0
358.20825	4.9
361.25293	1.4
371.23611	0.7
389.24695	13.4
389.29361	1.0
390.24866	0.7
407.25681	7.1
425.26877	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.7
57.03440	1.1
57.07068	12.7
61.13776	0.7
67.05484	2.7
69.06689	1.4
69.07060	28.2
70.07383	0.6
70.99117	1.8
73.68945	0.6
79.05488	2.2
81.07040	2.2
83.01337	4.4
83.04967	0.9
85.06545	2.0
91.05481	3.7
93.07024	2.1
95.04984	0.8
95.08588	9.1
97.10144	2.1
98.36447	0.6
100.31453	0.6
105.07008	7.7
107.08584	11.0
109.06486	2.1
109.10131	1.9
119.04908	5.9
119.08602	0.8
121.10126	3.0
123.08102	0.8
129.07001	1.2
131.08536	2.2
133.10112	11.8
135.08029	3.4
143.08505	1.3
145.10106	3.0
147.06123	0.6
147.11682	1.8
149.06085	0.6
149.09558	1.3
151.07558	0.7
151.11246	0.7
153.05469	0.9
155.08513	1.2
155.79510	0.7
157.10100	1.9
157.39726	0.6
159.08052	0.9
159.11717	1.7
163.07530	1.2
165.05455	2.4
169.10109	1.6
173.09615	10.0
173.42920	0.7
175.07506	1.4
175.11154	2.9
177.05441	2.0
177.09109	4.8
183.11743	1.1
185.09497	0.7
191.10652	2.3
195.11650	1.9
197.13190	1.3
199.11206	1.6
199.14752	0.8
201.09167	1.4
201.12787	1.0
205.08501	1.5
207.11812	0.9
209.13295	0.7
211.09494	1.3
211.11232	0.9
211.14861	1.8
213.12653	1.0
217.12270	1.0
219.10095	26.8
221.13344	1.0
223.11252	0.8
223.14659	1.2
225.09070	1.7
229.12204	1.1
233.13440	0.9
234.13599	0.7
235.14825	1.7
237.11157	32.2
237.16312	1.6
237.86932	0.8
238.11661	0.7
239.14346	2.2
241.12183	0.8
245.11606	1.5
247.14845	1.2
249.08983	0.8
249.12733	1.0
251.14293	1.5
255.13957	1.0
261.16342	2.4
263.12680	2.1
263.14810	1.1
264.15161	0.8
265.12097	1.8
265.15924	1.4
265.19431	1.3
267.13739	5.5
275.14529	1.4
275.17743	1.1
277.12219	1.7
277.19543	0.9
279.13803	2.0
283.13254	2.9
283.16547	0.9
285.14771	1.5
290.16510	0.9
291.13751	1.4
292.14526	1.3
293.15341	1.1
293.18854	1.8
295.13376	1.1
297.14755	3.8
303.17426	1.1
305.15451	1.2
305.18970	2.8
306.16025	1.1
309.14899	1.1
311.20050	1.4
315.15829	4.7
321.18423	6.4
322.18793	1.0
323.19943	2.4
333.18518	4.2
337.17911	1.0
337.21729	1.3
339.19534	52.3
340.19904	2.8
341.21066	5.0
351.19537	10.3
357.20563	100.0
358.20834	6.4
379.26147	0.9
389.24722	16.1
407.25800	6.5
425.26868	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	425.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01865	0.2
55.05484	0.4
57.07065	12.5
65.03930	0.3
67.05495	1.6
69.03431	0.2
69.07056	1.8
70.41158	0.3
70.41551	0.3
77.03900	0.2
79.05473	2.3
79.34446	0.1
81.03416	0.3
81.07040	5.9
82.34118	0.1
83.01306	0.2
83.04955	0.3
83.08565	0.2
85.06523	0.9
90.70163	0.1
91.05449	0.7
91.12005	0.1
93.07019	1.5
95.04939	0.6
95.08590	2.5
98.21340	0.2
99.00770	0.4
105.07001	1.1
107.04930	1.7
107.08575	2.6
109.02862	0.6
109.06509	0.2
109.09420	0.2
109.10131	3.6
111.08008	0.2
117.07019	0.2
119.04882	0.3
119.08569	0.6
121.06480	0.2
121.10112	2.3
122.10917	1.4
123.04433	0.2
123.08114	0.3
123.11686	16.9
124.08763	0.2
124.11981	0.4
125.09589	0.2
131.08481	0.3
132.09343	0.2
133.06470	0.4
133.10060	0.8
135.04396	8.7
135.08014	0.3
135.11665	3.5
137.02292	0.5
137.05919	0.3
137.09555	0.4
139.03860	0.3
141.12730	0.3
143.08553	0.3
145.10097	0.4
147.04381	0.3
147.07971	0.3
147.11639	0.3
149.05933	0.5
149.09576	0.2
149.13297	0.2
151.03870	4.3
155.08475	0.4
157.10106	0.2
159.08093	0.4
161.05948	1.2
161.09584	0.2
163.03870	34.4
164.04181	0.9
165.05470	1.1
165.09097	0.4
169.10091	0.3
171.08063	0.3
173.05927	0.5
173.09607	0.5
175.03897	0.4
175.07521	0.6
177.05438	5.0
177.09018	0.3
179.07005	0.4
180.91801	0.2
181.04924	21.2
182.05385	0.5
183.07991	0.2
185.13243	0.3
187.03836	0.6
187.07516	0.5
189.05444	1.3
189.09094	0.3
191.07019	3.2
193.08601	0.8
193.28595	0.2
197.09569	0.2
197.13295	0.2
199.07405	0.3
201.05469	1.5
201.09067	1.6
201.16399	0.2
203.07024	1.3
204.06532	0.7
205.08553	2.3
206.10809	0.2
207.10107	2.3
207.11699	0.2
207.17436	0.3
211.07455	0.9
211.14742	0.2
213.09070	0.2
213.12569	0.2
215.06987	0.5
217.08556	1.1
219.10123	100.0
220.10434	3.7
221.11627	0.4
225.09006	1.6
225.12558	0.2
229.08536	2.1
229.12137	0.2
235.09515	0.7
237.11261	0.5
239.14229	0.6
243.10184	1.2
249.12668	0.5
252.11459	0.6
259.13297	0.5
261.14841	0.5
267.13754	8.3
268.14008	0.5
269.11749	0.3
273.14935	0.8
277.14313	0.3
285.14804	32.3
286.15186	1.5
299.16318	0.2
303.15881	3.3
323.20065	0.9
338.73877	0.2
339.19485	0.4
341.21054	91.3
342.21399	5.6
350.90900	0.2
357.20361	1.2
369.20599	0.7
407.25940	0.2
425.26797	16.2
426.27213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01867	5.2
55.05504	15.4
56.96499	2.1
57.03414	4.2
57.07070	23.0
67.05496	53.2
68.05843	4.6
69.03412	7.3
69.07056	28.3
70.91010	8.5
71.04992	12.4
74.18066	2.0
78.01187	2.6
79.05096	2.7
79.05466	17.5
81.03391	6.2
81.07034	22.1
83.01328	4.3
83.04967	10.4
83.08609	6.6
85.02898	3.2
85.06539	4.3
91.05453	25.4
93.07030	51.1
94.07378	3.5
95.04955	17.8
95.08590	100.0
97.06535	6.9
97.10120	3.0
98.20821	2.5
99.04416	3.5
105.03362	4.7
105.07018	26.1
107.04919	3.3
107.08580	24.4
109.06507	9.2
109.10150	18.6
110.10475	5.9
111.08163	3.7
112.07598	8.9
113.05999	6.9
117.07001	7.5
119.04947	5.7
119.08597	13.4
119.09301	2.3
121.06499	6.6
121.10128	19.9
123.08050	57.6
123.08883	4.1
123.11664	4.3
125.02320	3.2
125.09562	3.7
127.07531	3.0
128.06189	5.2
129.06989	6.8
130.07762	5.3
130.42110	2.4
131.08548	7.2
133.06483	4.9
133.10133	14.8
135.08029	8.6
135.11676	18.0
137.05902	4.2
137.09575	5.3
139.03889	7.8
141.05487	3.6
142.07811	2.9
143.08536	8.3
145.10095	23.4
147.11682	7.0
149.05978	10.0
149.09596	5.9
149.13342	2.8
151.07457	3.0
151.11078	3.5
153.05455	2.6
155.08578	4.2
157.04962	3.2
157.10104	11.1
159.08057	3.3
159.10536	2.5
159.11642	13.3
161.09598	3.1
163.07513	6.2
163.11127	11.1
165.05478	3.4
165.09140	5.7
167.03381	23.8
169.10046	12.6
171.08028	17.2
171.11707	3.9
173.09576	41.6
173.11806	3.9
173.13293	2.5
175.07664	6.2
175.11169	12.4
177.05397	6.0
177.09129	6.3
177.12547	3.0
179.06969	6.8
179.08469	2.6
181.10118	7.8
183.11646	3.6
185.09641	7.4
185.13261	3.3
187.11249	3.1
189.09067	6.4
191.07005	4.6
193.10155	4.6
193.12186	3.6
195.11639	5.8
197.13264	6.6
199.11169	6.3
199.14766	3.3
200.08266	2.8
201.09174	4.1
203.10657	2.8
205.08557	2.8
205.12241	2.7
206.10837	2.6
207.11751	7.0
209.13260	7.8
211.11264	3.6
211.14844	6.7
215.10632	9.2
217.12138	5.7
217.44295	2.3
219.06575	4.7
219.10057	19.3
221.13268	10.4
223.14810	4.3
225.09103	2.8
225.12781	5.2
227.10716	4.0
229.08556	3.9
233.13271	6.5
235.11217	5.3
235.14949	3.4
237.07539	16.8
237.10893	14.4
239.14386	5.1
247.11362	3.3
249.12877	5.1
249.16350	5.3
251.14363	5.2
253.16052	2.8
255.13947	3.3
257.15436	3.8
263.14380	5.6
265.12128	5.1
267.13831	9.1
267.17532	3.8
275.17801	2.7
277.12164	3.5
277.15759	9.0
279.13895	2.6
279.17468	2.8
281.15320	2.7
283.13147	4.8
285.16254	4.1
287.05505	3.5
291.14078	3.4
291.17398	5.5
295.13254	9.0
297.15463	3.1
298.28311	2.7
301.15671	2.8
303.13681	3.6
305.15292	5.7
307.16669	2.7
309.15106	2.6
309.18405	5.7
313.15460	2.9
315.16064	4.4
319.16937	22.5
321.18436	3.9
323.16354	9.8
324.17114	4.1
325.17969	7.3
328.18225	2.8
329.15115	3.8
331.16425	3.1
333.16983	18.8
337.18106	7.1
339.19519	30.2
341.21136	4.7
343.20493	6.7
351.19376	6.9
355.19275	7.2
357.16376	5.0
357.20593	57.4
361.21695	7.9
365.21161	3.1
371.19910	26.8
379.22595	3.9
389.20770	29.6
389.24960	5.6
407.21689	28.4
425.23273	12.7
425.28659	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	425.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.7
57.20163	0.3
65.03918	0.4
67.05488	0.7
68.28219	0.3
69.03424	0.5
69.07039	0.8
70.48743	0.4
70.49139	0.7
72.04491	1.2
78.03773	0.9
79.05466	0.5
81.07027	0.6
84.08129	0.3
85.02892	0.5
85.06521	0.5
88.02180	0.8
91.05466	7.3
91.13449	0.3
93.07021	0.8
95.04934	0.8
95.08597	0.5
102.03761	1.6
105.07019	0.6
107.04932	0.4
107.08543	0.5
109.10130	0.4
109.95107	0.3
111.04459	0.4
113.05929	0.5
114.03727	0.7
117.03335	0.3
119.04926	21.8
119.08505	0.4
121.06504	0.3
121.10111	0.4
123.04401	1.4
124.07561	0.6
131.06357	1.1
131.08551	0.4
132.04794	1.4
133.10126	0.5
135.08047	0.3
137.05937	0.5
139.03912	0.3
142.08611	1.1
145.02831	1.1
145.10150	0.3
147.04388	100.0
148.04742	1.7
149.07417	8.5
151.03870	0.7
153.05432	0.3
157.06537	0.3
159.05894	0.4
163.03889	0.5
169.09996	0.3
172.23225	0.3
173.09615	0.9
175.05431	0.4
177.05447	1.8
181.04938	0.4
184.09740	0.5
187.07579	0.3
189.05399	0.5
217.04999	0.5
217.08640	0.4
218.08105	13.7
219.10246	0.4
226.13025	0.3
237.11130	0.8
245.04468	0.9
261.12662	8.1
263.09207	0.5
277.10184	0.4
287.05518	0.9
295.11075	15.4
296.11353	0.3
335.62097	0.3
339.19647	0.7
354.17389	0.3
357.20517	1.8
407.16312	11.3
407.21069	0.4
408.16641	0.5
425.08551	0.9
425.21896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00940	0.6
70.15946	1.4
70.16357	2.2
82.99852	1.3
92.43549	0.6
97.02876	1.3
98.21359	1.0
101.00867	9.1
106.86075	0.6
109.02821	0.8
113.00858	1.5
119.01908	22.1
120.02100	0.7
127.02407	0.8
131.01884	8.5
137.02971	2.4
139.02434	0.9
143.00780	1.2
143.01889	24.8
145.03455	9.9
147.01334	1.1
149.02959	1.1
155.01874	11.5
157.03447	5.7
161.02945	52.4
162.03136	1.5
163.04515	1.7
167.01913	6.2
169.03426	2.3
171.05017	2.0
173.02950	18.9
175.04533	1.9
179.01892	2.1
181.03481	0.7
184.04594	1.2
185.02946	36.5
186.03081	1.3
187.04536	4.6
191.03960	4.8
197.02945	14.5
203.02188	1.1
203.03996	15.6
208.04561	1.1
209.02835	0.8
215.03990	8.3
221.05023	1.6
227.04037	8.3
239.03903	0.7
245.05055	100.0
246.05186	3.1
257.05133	5.6
263.06091	26.1
264.06247	1.4
275.06140	11.9
284.53171	0.6
289.26328	0.6
293.07138	4.0
305.07153	11.1
335.08032	4.2
365.09308	7.6
425.05881	3.0
425.11850	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	425.107
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
53.03919	0.6
56.96552	1.7
57.03409	1.2
61.02914	1.3
62.14371	0.6
65.03967	0.6
67.01845	1.9
68.99789	1.4
69.03405	2.4
69.07058	0.6
70.90142	1.6
70.90488	0.7
71.04991	0.7
81.03384	1.8
85.02895	8.4
97.02886	3.3
98.97552	1.2
105.06984	0.8
107.08536	0.7
109.02857	1.4
116.98538	0.9
121.02868	2.2
127.03889	1.7
128.98543	0.7
133.10126	0.8
137.02327	10.3
137.03355	1.2
145.04930	1.5
153.01805	100.0
154.02126	1.7
163.03810	1.6
165.01805	2.8
171.02843	1.5
175.03914	0.7
177.01810	3.2
183.02899	1.6
191.03358	1.8
195.02866	8.3
203.03348	1.0
219.02953	3.4
219.10150	0.8
231.02814	2.6
237.02777	1.1
237.11214	0.7
245.04466	0.7
249.03908	1.1
261.03928	1.5
263.05475	53.4
264.05777	1.3
275.05469	1.9
279.04718	0.8
287.05521	1.8
305.06784	1.4
329.06586	4.6
339.19528	2.5
341.06555	3.2
347.36319	0.7
357.20685	3.8
371.07526	0.8
383.07172	0.9
389.08664	1.4
389.25027	0.8
407.07660	1.3
425.08191	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.05495	3.4
55.27545	0.8
57.03418	2.7
57.07062	4.2
60.20615	0.8
61.02898	1.3
67.05497	4.6
69.03402	2.5
69.07061	15.7
69.67669	1.7
69.68079	4.8
71.04975	2.1
71.08620	3.9
73.02896	3.2
79.05482	1.6
81.03400	1.2
81.07047	19.9
83.04961	3.0
83.08606	5.9
85.02896	22.3
85.06528	5.0
85.10160	1.6
91.05465	3.2
93.07050	5.3
95.04947	1.8
95.08601	8.9
96.36225	0.7
97.06520	2.4
99.04443	5.3
99.08035	1.0
101.02371	8.8
105.07006	8.0
107.08594	8.2
109.06509	4.3
109.96857	0.8
111.08054	1.4
113.05978	2.0
117.06996	1.0
119.08571	5.7
121.10149	8.7
123.08047	4.5
123.11701	24.0
127.03852	1.4
127.07548	9.6
135.11676	2.2
137.13213	1.7
141.09067	2.7
145.10135	1.1
147.11679	32.5
148.32808	0.7
149.13225	2.5
155.14314	6.5
159.11653	1.1
165.12735	19.9
173.09663	1.0
177.05429	1.5
177.12842	0.9
183.13792	88.5
184.14055	1.1
195.13786	2.5
201.14844	100.0
202.15161	1.7
213.14819	3.5
227.16283	1.1
272.06296	1.2
287.05441	1.1
387.26273	0.8
424.25342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.9
57.88559	1.0
59.04992	1.4
67.05482	2.9
69.03428	3.1
69.07059	4.6
71.04980	2.8
79.05489	3.8
81.07056	5.0
83.04969	7.9
83.08611	11.3
85.02894	5.5
85.06535	2.7
91.05429	1.4
93.07037	11.6
95.04949	9.7
95.08597	3.8
97.02818	1.5
97.06522	3.6
97.10158	2.1
98.21441	4.5
99.04453	4.1
105.07035	4.8
107.08582	19.1
109.06505	5.4
109.10160	7.5
111.08074	3.0
115.07561	6.9
119.08595	5.3
121.10135	43.1
123.04430	1.4
123.11704	3.8
124.67656	1.1
125.09630	4.2
126.61118	1.4
127.03940	2.2
129.68408	1.1
131.08504	1.9
133.10089	8.1
135.08020	2.0
135.11681	3.0
137.02385	1.5
145.10178	1.4
147.11639	3.0
149.13258	2.6
151.11177	14.4
153.01816	12.3
153.09097	3.9
163.14783	10.3
167.14290	16.6
173.13283	7.6
175.14894	2.4
191.14304	16.0
209.15349	100.0
210.15698	3.5
227.16409	10.6
263.05502	7.6
304.05408	3.0
424.09354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19853	1.4
53.27999	1.4
55.05504	11.2
57.03421	1.9
57.07078	1.7
60.89755	1.5
64.14191	1.5
67.05495	3.1
68.99778	3.0
69.03406	5.3
69.07046	5.4
71.04984	1.6
79.05458	4.3
81.03391	3.0
81.07049	7.6
81.54095	1.4
83.04974	12.0
83.08622	9.2
85.02900	10.4
85.06551	1.6
86.09684	1.4
91.05447	3.0
93.07024	8.6
95.04957	12.4
95.08582	4.9
97.02879	3.9
97.06503	4.7
97.10168	2.5
99.04424	4.4
99.08057	1.6
105.07019	7.8
107.08595	14.4
109.06493	8.0
109.10137	10.8
111.08099	3.4
119.08557	3.7
121.10131	22.4
123.04459	1.6
123.08002	2.6
123.11702	5.3
123.70694	1.5
125.09605	4.1
127.03919	7.8
131.08516	5.2
133.10098	17.1
135.08025	2.7
135.11650	5.5
136.07584	1.6
137.02328	17.0
139.03841	2.4
139.11143	8.0
145.10109	2.6
147.04395	4.3
147.11694	5.8
149.13242	6.3
151.11163	13.5
153.01810	87.6
153.09097	7.6
158.10909	1.8
160.77675	1.8
163.14780	7.8
165.12822	1.9
167.14284	15.0
171.02856	3.5
173.13284	12.0
175.03902	1.5
181.15800	1.7
191.14268	19.7
209.15350	100.0
210.15596	1.9
227.16354	13.0
245.04378	9.9
261.03900	2.6
262.04343	4.2
263.05493	57.0
263.92679	1.6
269.63794	1.5
287.05438	2.8
299.05676	1.8
316.57050	1.6
327.13049	1.5
339.19818	1.9
357.20599	2.1
407.07401	2.1
424.15527	2.6
424.21799	3.3
425.08292	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.05494	2.0
57.03432	1.8
61.02919	2.6
65.10491	0.7
69.03422	10.9
70.06587	0.9
70.36036	4.1
71.04983	5.3
73.02896	2.5
76.38527	0.9
79.05500	1.2
81.03405	11.4
81.07060	1.5
83.04951	1.2
85.02892	70.5
86.03226	1.0
91.05482	1.4
92.18606	0.8
93.07078	0.9
97.02878	23.1
99.04439	38.1
103.03930	91.4
105.07040	1.1
107.08595	1.2
109.02865	13.7
111.04438	0.8
111.08060	1.9
115.03941	1.1
121.10088	1.0
123.04382	4.5
126.12778	1.1
127.03902	100.0
128.04276	1.8
139.07524	1.0
145.04941	59.2
146.05171	1.2
163.06000	58.6
164.06346	1.1
177.05478	1.2
187.06015	4.7
205.07059	3.8
209.11630	0.9
238.61081	1.0
253.07050	1.9
260.06235	1.1
261.04031	1.8
262.04324	3.8
269.13754	2.7
271.05856	3.5
271.08340	7.3
272.06305	5.6
272.08963	0.8
285.09610	1.2
289.09094	6.0
307.10156	9.9
358.36890	0.9
383.00406	1.3
389.18320	1.1
411.37564	0.9
424.11105	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	424.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16027	1.2
55.05507	8.9
57.03417	1.8
57.07061	3.9
57.11990	1.3
65.03926	2.0
67.05492	9.5
69.03425	29.3
69.06683	2.1
69.07059	37.0
69.86977	9.1
70.06584	1.4
71.04989	1.5
71.32883	1.4
71.50854	1.3
79.05476	5.0
81.07044	8.5
82.07362	1.7
83.01342	11.2
83.04954	3.1
83.08613	3.0
85.02891	3.2
85.06511	1.7
86.06089	2.7
91.05470	7.4
91.41411	1.3
93.07042	7.2
94.07344	1.6
95.04961	4.0
95.08611	7.7
97.06513	2.9
97.10159	9.5
98.09681	3.6
98.21414	2.7
99.04472	1.5
100.11246	3.3
105.07019	35.4
106.07368	3.9
107.04967	1.4
107.08576	11.3
109.06493	2.4
109.10149	2.8
113.02422	1.7
116.10711	3.6
117.03345	1.9
117.07018	6.3
119.08578	10.7
121.06526	2.0
121.10136	4.7
123.04405	2.1
123.07982	1.9
125.09627	2.9
127.03905	2.4
129.01842	1.8
129.07014	1.9
130.07776	6.0
131.08543	7.4
133.10112	5.4
135.07988	2.5
135.11684	3.8
137.02354	1.6
137.05930	2.3
137.09656	2.0
139.03940	2.2
139.07474	1.4
142.12265	3.3
143.08568	3.4
143.10695	1.7
145.02870	2.6
145.10101	47.3
146.10590	4.1
147.11664	26.7
149.05997	3.1
149.09685	1.6
153.05531	1.6
153.09087	22.4
155.08604	1.7
157.10103	6.3
157.80177	1.3
158.10419	1.9
159.07973	2.1
159.11714	2.0
163.11165	3.1
165.70358	1.5
168.13792	1.7
171.10155	39.5
173.09601	100.0
174.09950	5.5
175.11157	30.2
176.11591	2.5
177.05458	7.9
177.09021	1.5
182.15500	1.4
183.11696	6.0
185.13245	3.8
187.07584	1.4
189.09084	2.1
190.39836	1.4
191.10646	49.3
193.10422	2.3
193.12198	13.8
195.11639	3.8
197.09605	2.8
199.11179	1.3
211.11148	5.4
213.12698	6.5
217.04936	1.7
219.10095	9.1
229.12140	9.0
231.13707	2.1
237.11220	3.6
239.10602	7.8
241.12238	7.2
242.51820	1.3
257.11734	19.3
259.13318	13.8
271.06042	2.1
272.06393	1.9
275.12845	1.7
277.14471	3.0
285.11133	9.4
287.05368	3.7
299.05322	2.7
303.12204	32.6
303.15671	2.5
304.12582	1.5
308.22064	2.1
321.13184	9.4
326.23209	5.6
327.19473	2.6
343.18909	2.0
345.20605	6.3
357.20554	2.8
360.18802	4.3
371.18640	3.9
389.19324	7.4
424.25235	1.8
424.30524	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	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
60.53718	1.1
61.02936	1.7
63.38374	1.0
69.03412	3.4
71.44549	1.3
71.44876	2.1
81.03417	2.9
81.07041	1.9
85.02895	14.2
89.03911	1.9
91.05461	11.2
93.07014	3.9
95.04977	4.4
97.02872	5.5
99.05544	2.3
103.05441	12.4
105.03403	2.0
106.04240	1.4
107.04911	5.9
109.02865	2.0
109.06484	4.3
111.39164	1.5
117.03352	3.5
119.04933	3.3
121.06487	13.8
127.03900	1.7
131.04912	14.8
133.02823	26.4
134.03613	1.9
135.04404	4.0
137.05951	12.5
140.42084	1.2
145.02815	3.7
145.04976	2.9
145.06094	2.1
147.04352	4.9
148.05162	4.4
149.05949	30.0
152.04668	1.4
153.01872	2.0
159.04395	11.5
163.03870	6.5
163.07500	1.9
165.05461	22.1
167.07016	41.7
176.04636	1.9
177.05444	82.6
178.06070	1.4
181.08603	2.5
182.05705	3.1
191.06996	4.7
194.05728	4.2
197.04170	1.4
197.08067	51.3
209.08061	100.0
227.09114	45.5
407.07455	3.1
426.42545	1.5
449.04102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63300	1.7
52.32676	1.9
53.03944	2.9
55.01869	2.5
55.05503	16.1
57.03434	3.7
57.06840	2.0
57.07070	18.7
59.04996	2.5
65.03926	3.5
67.05497	93.2
69.07061	34.5
71.05001	4.1
71.08607	3.0
71.58508	4.4
77.03468	2.0
77.03896	2.0
79.05481	38.0
81.07047	98.5
82.07376	2.4
83.01331	4.1
83.04977	5.3
83.08616	14.8
85.06528	8.2
91.04947	2.9
91.05477	40.7
93.07034	68.0
94.07366	2.3
95.04945	10.7
95.08595	75.8
97.06512	6.0
97.10165	3.5
103.05487	2.6
105.07018	54.6
107.08582	60.7
109.06502	3.6
109.10147	77.7
110.10403	2.8
111.08035	2.8
111.11709	3.1
115.05480	2.1
117.07021	11.4
119.08569	41.4
121.10124	41.4
123.08097	4.3
123.11692	22.7
128.06239	2.5
129.06992	4.7
130.07831	2.5
131.08549	26.8
133.10115	50.5
135.08015	4.2
135.11684	36.3
137.09586	4.2
137.13289	5.4
143.03380	2.7
143.08569	12.4
145.10115	32.8
147.11668	33.9
149.09726	2.0
149.13231	25.2
153.12708	3.6
155.03314	1.8
156.09325	2.9
157.10059	13.0
159.08040	2.0
159.11681	28.1
160.66997	1.8
161.09592	1.8
161.13251	26.3
163.14784	9.2
165.12872	1.9
167.10629	2.1
169.10104	2.7
171.11688	7.3
173.09589	3.9
173.11734	9.2
173.13280	13.1
175.11217	4.4
175.14821	17.8
176.15231	2.2
177.12775	2.7
177.16396	15.0
180.09390	1.8
181.10153	2.2
183.11685	4.9
185.13239	5.6
187.14778	9.1
189.16360	14.5
191.17915	8.9
193.10155	2.4
195.11797	1.8
195.13852	3.9
197.04427	2.2
197.13216	4.4
199.14793	7.7
201.16357	35.5
203.10616	3.0
203.17924	20.1
205.12227	2.0
205.19424	2.5
209.13112	1.9
213.16341	3.0
215.17906	11.9
217.16106	2.8
217.19493	39.0
219.17436	8.5
225.16409	3.0
227.17995	5.4
229.19530	6.8
231.17459	2.4
233.18980	2.7
241.19376	2.6
243.21086	3.2
245.22546	2.4
253.19542	4.4
255.21059	3.4
271.06061	3.8
273.22046	2.1
281.22620	5.6
303.15909	3.0
321.17160	7.9
321.25800	4.0
339.18100	3.7
339.26672	2.8
349.29068	3.9
350.17981	2.1
367.29907	5.0
405.35071	41.0
423.27643	47.6
423.36185	100.0
424.27640	5.3
424.36646	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	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.05502	6.6
57.07048	2.7
59.93599	0.6
60.11864	0.7
65.03912	0.7
67.05496	15.1
69.06688	1.0
69.07059	17.0
69.56017	0.7
69.70808	6.5
71.08640	0.9
79.05487	9.9
81.07048	71.9
82.07360	1.4
83.04958	1.8
83.08606	3.6
89.06027	1.4
91.05463	4.4
93.07032	15.5
94.84908	0.7
95.04980	1.4
95.08595	31.0
97.10136	2.4
105.07019	6.0
107.08579	11.3
109.06446	0.8
109.10144	20.5
109.47738	0.7
111.11687	1.2
115.24125	0.7
119.08562	7.9
121.10135	12.7
122.07279	1.6
123.08043	1.1
123.11695	9.1
125.06025	0.9
129.15099	0.7
131.08534	1.8
133.08580	1.2
133.10129	4.3
135.08046	1.7
135.11667	8.1
137.09612	10.0
137.13246	7.1
139.07484	1.6
143.08575	0.9
145.10112	3.2
147.11697	4.8
149.09633	4.8
149.13220	9.8
151.07512	0.9
159.11665	2.8
161.13271	2.7
163.11115	1.7
163.14793	3.7
165.09096	100.0
166.09428	2.1
171.11693	1.3
173.09581	2.0
173.13254	2.0
174.10414	1.0
175.07567	1.4
175.11174	1.5
175.14830	1.5
177.09056	4.3
177.12659	0.8
177.16302	1.3
179.10657	3.2
185.13268	1.0
187.11205	1.4
187.14761	1.2
189.09108	2.8
189.12733	2.0
189.16367	2.1
190.09911	1.2
191.10663	4.7
191.17955	2.2
197.12869	0.7
199.11156	1.1
201.09113	0.9
201.12787	0.7
202.09914	0.8
203.10652	2.9
203.17960	4.4
205.12207	16.2
205.19536	2.0
213.12700	1.1
216.11526	0.9
217.12222	3.7
218.12361	0.9
219.13791	1.6
229.12148	0.9
231.13831	4.3
239.14630	1.8
243.13791	1.7
245.15349	1.3
259.24222	1.3
267.17484	0.9
267.20905	0.8
271.17068	1.0
273.18500	2.6
299.19968	1.1
341.24799	1.3
423.32465	12.5
424.32925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05498	5.8
57.07077	4.1
65.20471	0.9
67.05501	15.3
69.07062	18.4
70.11217	4.8
77.93111	0.9
79.05484	9.3
81.07048	76.2
83.04959	0.9
83.08620	2.7
91.05473	3.5
93.07034	11.2
95.04953	1.5
95.08003	1.9
95.08598	32.3
97.10159	2.4
105.07019	7.1
105.07644	1.0
107.08564	11.2
109.10144	22.4
111.08056	0.8
119.08556	7.8
121.06521	1.3
121.10137	11.1
122.07281	1.6
123.11694	7.9
131.08551	2.1
133.10120	5.2
135.08069	1.7
135.11690	7.1
137.09618	9.8
137.13257	6.8
139.07536	1.0
145.10110	3.2
147.11700	5.3
149.09567	5.2
149.13235	10.4
159.11635	2.2
161.09615	1.6
161.13272	1.8
163.11223	1.7
163.14807	2.9
165.09103	100.0
166.09399	1.4
171.11737	1.3
173.13249	1.6
175.07527	1.1
175.11160	1.3
175.14824	1.7
177.09074	2.7
177.16306	1.4
179.10677	3.0
187.11240	1.8
189.09059	2.7
189.12761	2.1
189.16469	1.3
190.09807	1.5
191.10692	5.3
191.17978	0.9
199.14769	1.0
201.16394	1.8
203.10701	4.4
203.17911	5.6
205.12257	15.8
205.19545	3.4
216.11409	1.0
217.12186	1.6
217.19540	1.6
219.10115	0.9
219.13873	2.1
227.18013	1.1
231.13715	4.5
240.14801	0.9
243.13779	1.6
245.15358	1.3
260.23398	1.1
269.22516	0.9
273.18436	2.7
341.25101	0.9
423.32321	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	423.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13543	0.4
55.05498	1.7
57.07066	3.0
65.03945	0.9
67.01839	1.4
67.05499	4.9
69.07047	2.4
70.02280	3.7
71.08604	0.7
71.42167	0.5
74.96953	0.5
79.05482	4.3
81.07047	12.8
83.08598	1.0
85.02900	0.9
89.06021	2.7
91.05469	8.9
93.07037	15.1
95.04945	2.0
95.08604	7.4
98.20667	0.7
105.07015	8.5
107.08584	26.5
108.08946	1.0
109.06498	1.2
109.10149	5.3
111.08036	0.8
117.07003	1.7
119.08549	5.3
121.06480	2.7
121.10130	4.7
123.08046	0.8
123.11716	1.2
131.08536	3.8
133.06482	0.8
133.08560	1.0
133.10117	5.8
135.07970	0.9
135.11703	3.6
137.05969	1.0
139.07538	6.2
142.07715	0.6
143.08525	1.4
145.10114	7.7
145.52930	0.5
147.11659	3.4
149.05972	7.4
149.09683	0.6
149.13228	1.8
151.07556	1.6
157.10120	1.7
159.11678	8.5
161.09549	0.6
161.13248	2.2
163.07562	1.0
163.14795	1.5
165.05521	3.0
165.09085	1.8
167.07021	100.0
168.07346	1.8
171.08041	0.8
171.11621	0.9
173.09682	0.9
173.11914	0.7
173.13225	2.7
175.07481	0.6
175.14821	2.0
177.09064	0.6
179.10628	0.8
181.08566	4.8
185.13310	0.5
187.14804	3.2
189.09134	3.1
189.16399	1.8
201.16362	14.6
203.10562	0.7
203.17953	1.0
205.08609	1.7
207.10141	19.8
213.16431	1.1
215.17947	2.1
233.11717	1.7
239.14877	0.6
243.21054	2.4
245.11618	0.8
259.13089	0.8
263.14041	0.5
269.22711	1.1
273.14862	0.9
297.18506	0.7
315.19592	1.4
339.19385	1.6
355.19016	0.7
393.83640	0.6
405.24084	1.3
407.33646	0.7
423.29092	15.1
424.29373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01867	1.5
55.05506	12.1
57.03428	2.7
57.07067	2.5
59.04996	4.0
62.60769	0.6
65.03931	3.9
67.05497	100.0
68.05824	1.4
69.03430	1.4
69.07062	10.9
71.04984	3.5
73.02936	0.9
78.34946	0.7
79.05484	18.8
80.05761	0.7
81.03404	1.8
81.07046	48.1
82.07381	1.0
83.04974	3.5
83.08607	10.2
85.06537	3.8
89.05721	0.7
91.05466	15.8
93.06441	1.3
93.07034	24.3
94.07349	0.6
95.04971	5.1
95.08596	13.5
97.06517	5.2
97.10180	0.9
98.21495	1.0
99.08104	1.6
105.07008	4.5
107.04935	1.0
107.08582	15.0
107.09328	0.8
109.06487	1.0
109.10145	58.3
110.10535	1.0
110.58677	0.7
111.08058	4.7
117.07017	2.6
119.08566	6.0
121.06485	0.8
121.10131	7.1
123.08093	1.5
123.11700	1.3
124.40621	0.6
131.08542	4.9
133.10112	6.3
135.08057	1.4
135.11665	4.2
137.09613	2.9
145.10117	0.7
149.13234	14.6
150.13524	1.1
155.10645	4.0
159.11649	6.1
167.14406	0.7
173.11720	19.5
177.12753	3.5
195.13773	10.3
196.13998	0.7
213.14874	1.3
223.81392	0.6
260.76309	0.7
269.48599	0.7
271.05984	0.9
405.25171	0.7
423.27383	77.3
424.27786	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	423.0916
Annotation	Norswertianin-1-glucoside
Peak:m/z	Relative Intensity
56.27319	0.1
61.02891	0.2
65.13613	0.2
68.99772	0.2
70.03864	0.3
70.04272	0.5
85.02880	0.2
123.04427	0.3
127.59666	0.1
151.03903	0.2
153.01797	0.4
163.03957	0.2
167.07027	2.1
172.68260	0.1
176.07867	0.1
181.27466	0.2
187.03886	7.9
188.04187	0.2
189.05385	0.2
190.21724	0.1
193.04860	0.2
205.04842	0.5
215.03352	4.2
219.02742	0.2
227.09045	0.3
227.12943	0.2
232.03679	0.3
233.04370	0.2
243.02864	11.1
244.03201	0.3
261.03897	100.0
262.04239	3.0
273.03928	0.4
274.04587	0.2
303.04950	0.6
327.04715	0.2
333.06042	0.3
336.56293	0.2
357.05923	0.2
387.07211	0.4
405.08102	0.3
423.09329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01868	1.9
55.05503	9.7
57.03426	2.4
57.07066	6.6
59.04955	2.0
63.28389	1.7
65.03935	3.8
67.05497	26.8
69.03407	7.5
69.07069	12.8
71.04990	13.4
71.81445	3.7
74.64887	1.8
79.05486	17.5
80.06289	2.1
81.03397	3.4
81.07046	23.8
83.01334	2.0
83.04980	5.9
83.08612	4.8
84.08163	1.9
85.02893	3.6
85.06534	4.0
88.00838	2.0
91.05475	23.5
93.07040	25.7
95.04956	8.0
95.08601	37.9
97.06522	6.1
97.10136	2.5
98.98463	2.0
103.05427	2.6
105.07023	100.0
106.07342	3.2
107.04939	3.8
107.08588	44.9
109.02859	4.7
109.06499	7.1
109.10154	15.8
111.08096	3.6
117.06976	5.6
119.04927	7.0
119.08573	35.3
121.02808	2.1
121.06496	4.8
121.10137	86.4
122.10973	10.4
123.04424	6.4
123.08060	26.9
123.11686	14.9
125.02323	2.2
125.09628	19.5
127.03911	7.1
129.06998	4.1
130.07776	2.8
131.08597	9.7
133.06461	5.3
133.10123	16.3
134.10902	1.9
135.04448	4.6
135.08008	3.4
135.11684	19.2
137.02316	1.9
137.05937	2.8
137.09581	3.3
139.03911	3.0
141.07057	2.8
141.09122	16.1
142.07748	9.4
143.08540	7.8
145.10121	41.7
146.10454	3.5
147.04384	4.2
147.08035	2.6
147.11676	49.5
149.05960	8.5
149.07069	1.9
149.09630	2.3
149.13222	3.7
151.07503	10.2
153.05434	2.5
153.09109	2.3
155.03386	3.7
155.08551	2.8
156.09297	2.6
157.10112	27.8
159.08047	2.3
159.11693	9.0
161.09602	3.0
161.13211	4.1
163.03879	13.3
163.11201	4.1
165.02005	2.3
169.08589	24.0
169.10123	8.6
171.07977	2.8
171.11665	3.8
173.09612	39.8
173.13266	3.8
175.03909	9.7
175.07523	2.3
175.11176	69.0
175.14592	2.1
176.11548	2.0
177.05449	4.4
177.09106	3.4
179.07018	2.7
181.10150	1.9
183.11647	3.8
184.14081	2.0
185.09656	4.1
185.13214	3.5
187.11168	4.1
189.12727	3.1
191.10652	46.0
193.12267	7.2
195.10049	3.0
195.11707	2.9
195.13731	2.7
197.13280	4.4
199.11165	2.1
199.14789	8.8
201.09097	3.1
203.10571	3.9
205.08594	2.1
209.13199	4.1
211.11230	3.9
211.14812	5.0
213.12747	4.3
215.14302	4.8
219.10152	4.5
223.66338	1.9
225.12747	2.8
227.10873	2.3
227.14264	3.5
229.12280	4.4
229.15887	2.3
231.10103	3.2
237.11166	24.1
241.19455	2.7
251.17953	2.6
253.12177	2.4
253.19469	2.0
255.13704	2.3
256.19119	3.1
269.18961	14.2
271.06003	21.2
271.20551	58.0
272.20865	3.3
273.03976	4.2
287.20050	5.7
289.21527	3.9
297.18463	7.8
303.12436	2.8
303.15848	3.9
304.13028	7.4
305.13443	2.2
313.18048	5.0
315.19482	29.7
325.17905	4.4
333.20667	23.9
334.21011	2.5
341.17401	4.0
343.19016	3.4
359.18411	11.6
361.20059	45.5
361.24603	2.3
362.20505	3.8
369.16812	2.6
377.19598	3.5
387.17752	2.9
405.13504	2.9
405.19098	5.7
405.24457	3.6
423.10172	8.2
423.14963	3.7
423.23325	12.9
424.30630	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	423.0916
Annotation	Norswertianin-1-glucoside
Peak:m/z	Relative Intensity
56.82497	0.1
57.03397	0.1
58.96642	0.1
61.02889	0.2
68.99763	0.2
69.03413	0.7
70.40752	0.5
81.03356	0.2
82.45674	0.1
85.02897	1.1
85.67276	0.1
87.58250	0.1
97.02869	0.5
106.77286	0.1
107.08531	0.2
109.02833	0.2
119.04887	0.1
123.04408	0.2
127.03843	0.3
134.72227	0.1
139.03799	0.1
145.02692	0.1
145.04974	0.2
153.01740	0.2
162.84308	0.1
163.03824	0.3
173.13147	0.1
187.03876	8.4
188.04169	0.3
193.04973	0.3
205.05011	0.5
215.03362	4.0
219.02824	0.2
227.12735	0.1
232.03633	0.2
233.04417	0.4
237.03850	0.2
243.02867	10.9
244.03268	0.5
257.04446	0.2
261.03900	100.0
262.04230	4.3
267.43555	0.1
271.06036	0.2
273.03873	0.4
285.19455	0.1
287.05453	0.1
303.04959	0.4
405.08029	0.2
423.09210	6.7
424.09570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0914
Annotation	Mangiferin
Peak:m/z	Relative Intensity
55.05495	1.1
56.06347	0.8
57.95620	0.8
62.44958	0.8
67.05482	0.9
69.03413	1.5
69.89696	4.6
69.90108	1.9
70.06598	0.9
78.83955	0.9
79.01855	1.9
80.51925	0.8
81.07028	1.9
81.26353	0.9
83.04940	1.2
84.34306	0.8
85.02895	2.2
91.05493	1.1
93.03402	1.1
93.07069	1.0
95.04955	1.1
97.02869	1.2
97.17651	0.8
98.21518	1.7
105.07005	1.6
121.02843	1.2
123.04408	1.7
137.02321	1.6
147.04376	1.4
151.03918	1.3
153.01817	3.4
161.05904	1.1
163.03885	1.2
167.06992	2.1
175.03888	1.0
175.08807	0.9
181.05070	1.1
183.11702	1.1
186.77094	0.9
187.03821	2.1
203.03523	1.4
207.02896	1.5
215.03372	3.1
217.04897	2.9
221.08046	1.4
223.02370	1.1
224.51062	0.9
231.02867	4.0
233.04446	5.3
239.03415	1.0
241.04883	1.3
243.02853	2.9
243.06575	1.2
245.04434	5.8
246.05222	6.7
249.03842	11.4
251.05449	1.3
255.02870	1.6
257.04413	3.8
259.06061	1.1
259.84424	0.9
260.03027	1.3
261.03906	19.2
262.04294	1.0
269.04398	1.4
270.05103	2.1
271.02579	1.2
271.05994	7.0
273.03888	100.0
274.04614	28.7
275.05148	2.0
279.04980	1.6
285.03915	13.5
286.04288	1.2
287.02286	1.2
287.05426	29.9
288.05936	2.8
297.03946	1.2
298.04648	5.1
299.05469	3.4
301.03424	15.0
301.06741	0.9
302.04071	4.1
303.04944	53.2
304.05380	2.6
312.02777	1.5
313.03387	10.6
313.07108	8.4
315.05002	6.9
319.04343	1.8
327.05045	6.2
331.04428	3.8
331.08173	1.8
333.06064	3.3
341.06454	12.5
342.06732	1.0
343.04385	4.3
359.07562	10.9
369.06018	20.9
370.06451	1.1
379.22522	1.0
387.07062	48.2
388.07181	2.3
395.07675	1.3
405.08099	79.5
406.08566	6.4
423.09189	77.4
423.25247	2.1
424.09305	4.7
433.29144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0918
Annotation	Norswertianin-1-glucoside
Peak:m/z	Relative Intensity
54.93559	0.2
61.02906	0.4
65.83115	0.2
68.99815	0.3
69.03406	0.9
70.00754	1.6
71.04988	0.3
81.03416	0.5
83.04960	0.4
85.02890	3.1
97.02862	0.9
99.04417	0.3
107.31457	0.2
109.02829	0.5
145.04916	0.4
147.04250	0.3
151.07579	0.3
153.01785	0.4
187.03882	9.0
188.04170	0.4
205.04903	0.5
207.13736	0.6
208.14101	0.5
214.98386	0.2
215.03362	3.9
233.04578	0.6
237.03970	0.3
243.02869	12.3
244.03250	0.5
245.04648	0.3
246.05350	0.3
249.04054	0.3
257.04535	0.4
261.03909	100.0
262.04239	4.2
269.04507	0.4
273.03864	5.9
274.04742	1.4
285.03842	0.9
287.05408	0.6
299.05484	0.6
303.04971	4.4
313.03806	0.3
313.07162	1.4
327.04861	1.9
341.06439	0.4
357.06027	1.4
358.63986	0.3
369.06009	0.6
372.72171	0.3
387.07159	1.5
405.08075	1.9
423.09082	4.5
433.63052	0.3
434.95480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0915
Annotation	Tripteroside
Peak:m/z	Relative Intensity
55.01842	1.3
57.03416	1.3
61.02898	1.6
61.41890	0.6
68.99758	0.9
69.03407	4.2
69.57823	0.7
69.94772	1.6
69.95174	3.5
70.06571	0.7
71.04941	0.9
73.02877	2.6
73.81064	0.5
79.01834	2.1
79.05466	0.8
81.03389	1.6
81.07018	0.7
85.02894	14.1
91.05467	1.3
95.01313	0.8
95.04894	0.8
97.02839	2.9
99.04397	0.8
103.03941	0.6
107.04942	0.8
107.08598	0.8
109.02842	2.5
112.74417	0.6
121.02856	1.5
121.07043	0.8
123.04364	1.1
123.65584	0.6
127.03874	2.6
131.04903	1.0
132.84856	0.6
139.03853	0.8
145.04913	1.3
151.03876	0.7
153.01784	2.0
163.03848	2.0
167.03397	1.0
171.04362	0.9
175.03828	1.0
177.05379	0.7
179.06914	1.3
187.03873	3.2
189.05444	0.9
191.03349	12.6
197.05966	0.9
199.03824	1.0
201.05431	0.8
203.03468	1.3
205.04872	1.9
215.03375	3.3
216.04294	0.7
217.04866	3.7
218.05696	1.1
219.02808	2.1
225.05376	1.8
226.15062	1.0
227.03212	0.7
228.04102	1.1
229.04933	2.6
231.02821	4.4
232.03499	1.0
233.04404	7.7
239.07124	0.8
243.02888	2.8
243.06694	0.7
245.04425	5.6
246.05199	5.3
249.03868	6.9
251.36969	0.6
253.04942	1.2
255.02827	1.0
256.03629	1.1
257.04410	5.9
258.05289	0.9
260.03186	1.2
261.03918	58.5
262.04242	2.5
267.06506	1.2
269.04465	1.1
270.05280	1.6
271.05908	2.4
273.03903	89.6
274.04648	26.0
275.05264	2.2
281.04288	1.4
285.03909	14.3
286.04260	1.0
287.02267	0.8
287.05432	13.2
288.02737	1.0
289.03149	1.2
295.06137	1.3
297.03851	2.5
298.04715	4.7
299.05466	10.2
301.03336	2.6
301.06662	0.8
303.04953	100.0
304.05316	3.6
311.05377	2.2
313.03397	3.1
313.06967	21.5
315.04974	4.7
317.06497	1.6
323.05518	1.2
327.04950	33.2
328.05429	1.7
333.06131	3.6
339.04916	1.6
341.06522	6.3
345.06390	1.1
351.04996	1.3
357.06003	18.7
358.06027	1.0
369.05994	14.0
387.07068	26.0
388.07410	2.1
405.08115	31.7
406.08731	1.0
423.09180	91.8
424.09381	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	423.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78027	3.4
81.03415	0.9
85.02885	3.6
91.05328	0.9
109.02864	1.2
171.04430	1.0
187.03902	2.7
189.64572	0.9
199.03877	1.5
201.05418	1.2
203.03406	1.2
205.04965	2.0
213.05569	1.9
215.03392	1.8
217.04922	3.4
222.92001	0.9
225.05441	2.4
227.03302	1.2
228.04195	2.2
231.02800	2.9
233.04491	3.2
239.03400	1.5
239.06960	1.1
241.04996	1.2
243.02901	1.8
245.04358	5.8
246.05290	5.3
249.03940	6.5
253.04892	3.2
256.03674	4.2
257.04349	4.3
259.45038	1.0
260.03107	2.5
261.03870	15.3
267.06400	1.7
269.04352	2.1
271.05927	2.4
273.03900	100.0
274.04620	22.9
275.05515	1.4
280.03644	1.4
281.04379	3.5
285.03928	14.0
286.04404	1.0
287.05463	15.9
295.06024	1.9
297.03903	2.3
298.04684	4.0
299.05408	10.5
301.03348	4.0
301.06647	1.0
303.04950	71.3
304.05222	2.4
309.03827	1.2
313.03464	2.0
313.06982	19.3
314.07407	1.1
315.04941	6.0
317.06631	1.3
323.05667	1.0
327.04968	43.3
328.05453	1.8
333.06064	3.4
341.06503	6.2
357.05997	18.9
369.05978	12.1
381.68079	0.9
386.29559	1.0
387.07095	20.3
405.08124	41.2
406.08572	1.5
423.09174	98.8
424.09497	3.8
429.65323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0917
Annotation	Mangiferin
Peak:m/z	Relative Intensity
71.21902	1.3
71.22220	0.9
72.32272	0.7
79.01834	1.3
108.13774	0.8
109.02853	1.1
143.29219	0.7
153.01813	1.8
163.04005	0.7
167.03357	1.6
187.03883	1.1
201.05470	0.8
203.03407	2.2
205.04950	1.7
211.03960	1.6
215.03314	1.6
217.04942	3.2
225.05447	2.3
227.03368	1.4
228.04091	2.9
229.04958	1.4
231.02930	3.3
232.03618	1.0
232.36435	0.7
233.04449	6.2
239.03465	1.6
239.07031	1.1
241.04881	0.9
243.02910	1.6
245.04411	6.1
246.05191	5.8
249.03900	7.3
252.04068	0.9
253.04846	2.0
255.02881	1.3
256.03583	4.2
257.04431	5.2
258.05209	1.1
260.03076	2.6
261.03961	6.7
267.02899	1.5
267.06424	1.5
269.04395	2.5
273.03912	100.0
274.04654	28.3
275.05255	2.9
280.03604	1.3
281.04471	2.0
283.05701	1.0
285.03909	17.6
286.04456	1.3
287.02341	0.7
287.05484	12.5
295.05899	1.4
297.03928	2.6
298.04736	3.2
299.05438	5.5
301.03333	2.8
303.04974	80.5
304.05399	4.4
309.03922	1.0
311.05353	1.0
313.03415	2.1
313.06979	19.5
314.07428	1.2
315.04889	3.6
317.06479	0.9
323.05219	1.0
327.04947	27.5
328.05362	1.0
333.06073	2.3
339.05103	1.6
341.06601	5.8
342.06879	0.9
345.05945	1.6
351.05115	1.0
357.06027	19.0
369.05981	13.5
387.07086	25.6
392.22565	0.7
405.08148	40.6
406.08734	1.7
423.09204	77.9
424.09531	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	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63660	1.0
55.01861	3.3
55.05505	5.6
57.03433	1.5
67.05498	7.9
69.03421	29.0
69.07051	4.1
71.01337	3.8
71.04996	5.8
71.77969	1.2
71.78378	1.6
73.02907	1.5
76.02221	2.5
79.05473	6.7
81.03407	3.0
81.07047	11.1
82.84463	1.0
83.04970	34.2
84.04417	1.0
84.05298	1.4
85.02898	9.5
85.06532	5.1
86.00684	1.5
86.06080	1.1
86.09647	1.5
87.95051	1.1
91.05461	7.6
93.07044	7.0
95.04955	13.1
95.08594	14.1
96.36461	1.1
97.02884	3.7
97.06534	6.6
97.10159	2.5
99.04449	4.2
103.03902	1.5
105.07014	14.2
107.04963	2.1
107.08578	13.1
109.02859	6.5
109.06506	13.8
109.10127	2.7
110.07191	2.8
111.08096	2.2
113.05994	38.4
114.06304	1.6
115.03934	6.6
119.04921	1.7
119.08560	10.1
121.06479	2.7
121.10121	9.9
122.02719	10.9
123.04414	8.0
123.08052	18.7
125.05986	3.7
125.09667	1.3
127.03889	5.3
127.07525	1.8
129.07024	1.3
132.01172	2.2
133.06476	4.6
133.10138	4.5
135.08060	2.3
135.11671	14.6
137.09602	4.8
138.09091	2.1
139.03877	2.7
139.07564	2.1
141.05464	11.8
145.10081	2.5
147.04431	2.3
147.08064	3.1
147.11665	6.6
149.07365	1.8
149.09569	9.3
149.13203	1.4
151.07526	16.6
153.01782	2.3
159.06511	54.2
160.06909	2.1
161.09628	3.1
161.13260	10.1
162.02129	1.4
163.03903	2.0
163.11235	1.8
165.09270	1.7
165.12796	2.2
167.07196	1.1
167.10667	5.0
169.08612	4.7
171.11659	1.4
175.03920	1.3
177.12721	3.7
179.14316	2.8
187.03894	2.5
189.12721	8.0
195.13797	4.2
201.05560	1.1
203.03294	1.5
205.05057	1.6
207.13788	44.5
208.14200	1.9
214.82954	1.6
217.04932	2.4
225.05501	1.6
225.11359	2.4
225.14818	34.2
228.04228	1.8
229.05101	1.4
231.02820	2.4
233.04430	4.0
237.11182	3.5
239.03294	1.5
243.02919	2.5
244.03584	7.6
245.04080	17.1
246.05199	5.4
247.09587	1.2
249.03816	5.6
253.04941	2.7
255.12302	6.5
256.03796	3.0
257.04437	8.6
259.05994	8.4
260.03265	3.3
260.06378	19.5
260.09262	1.5
261.03949	11.0
261.06464	1.9
267.02969	2.4
267.06418	2.0
269.04507	2.1
271.06067	3.2
273.03903	100.0
274.04697	21.1
275.05447	1.2
283.11655	5.4
285.03934	15.5
287.05429	12.7
293.11624	3.9
295.06009	1.9
297.03906	3.2
298.04761	2.7
299.05374	9.8
301.03378	3.6
301.12738	20.9
302.13077	2.0
303.04956	91.4
311.05502	1.5
313.03394	2.3
313.06937	19.0
315.05014	5.5
317.06674	1.4
323.05518	1.8
327.04919	35.8
333.06253	2.5
339.04858	6.0
341.06573	7.5
345.05893	1.6
351.05026	1.7
357.05951	18.7
369.06015	16.3
378.12320	1.2
387.07077	29.7
405.08136	38.4
405.16446	1.5
422.15054	15.3
423.09183	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63375	0.8
55.05489	2.1
55.62844	0.8
67.05479	1.5
69.03451	1.3
69.07059	26.2
69.93912	4.8
71.04979	10.1
73.06553	4.3
73.06881	0.8
79.05480	2.1
81.03381	1.3
81.07039	2.6
81.79920	0.9
83.04964	1.1
83.08595	3.3
85.02879	2.7
91.05453	1.4
93.07025	1.8
95.04934	1.3
95.08569	4.6
97.02875	1.2
97.06513	6.6
99.04440	40.8
99.08067	0.8
105.07005	2.9
107.04911	1.0
107.08572	12.9
109.06513	9.1
109.10138	0.9
110.07108	1.1
111.08045	1.7
113.09626	2.4
115.06728	1.9
115.07549	37.5
116.07878	0.8
119.04869	1.2
119.08569	2.1
121.10126	7.1
123.08060	7.6
123.11707	4.3
125.09604	3.9
129.09082	1.6
131.08481	0.9
137.09604	1.4
139.11172	1.3
147.11644	3.6
149.09602	4.7
151.07518	1.0
161.09595	1.7
165.12737	7.8
167.10657	17.8
172.86101	0.8
179.10574	1.4
181.96336	0.9
183.13789	17.8
189.12694	2.1
199.13190	1.4
207.10109	2.2
207.13748	3.0
225.11218	2.4
225.14825	100.0
226.15173	4.1
233.04413	1.5
243.02832	1.0
243.12032	1.4
243.15913	15.6
245.04573	1.4
249.03896	1.1
261.03879	4.1
273.03882	15.0
274.04684	4.1
285.03922	2.0
287.05472	2.3
295.05792	1.3
299.05524	2.0
303.04935	13.7
313.06985	3.3
327.04932	9.3
341.06741	1.1
357.06015	3.5
369.06134	2.4
387.07004	3.3
405.08084	6.7
405.75131	0.9
422.18839	5.3
423.09100	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.0
55.05501	7.0
56.57482	1.7
65.48391	1.9
67.05479	4.0
67.63148	1.7
69.03405	7.1
69.07047	3.1
69.97486	13.0
71.04941	3.1
74.09303	1.8
79.05478	6.5
80.70390	1.9
81.03384	2.0
81.07034	13.3
83.04966	17.6
85.02898	10.1
90.00429	2.0
91.05458	4.6
93.07023	10.3
95.04955	5.3
95.08580	14.4
99.04436	2.9
105.07005	16.8
107.04945	2.9
107.08578	20.8
109.02872	5.4
109.06504	16.0
109.10100	3.9
111.08073	4.2
119.08557	8.5
121.06474	3.9
121.10132	12.8
123.04371	2.1
123.08056	18.1
125.09586	2.3
127.07590	1.8
131.03406	2.8
131.08496	2.0
133.06464	7.4
133.10101	5.6
135.08002	3.5
135.11693	13.1
137.09602	6.6
139.07466	2.8
144.63632	1.8
145.10059	3.4
147.08011	3.4
147.11646	9.0
149.09604	19.2
151.07521	25.3
159.11702	2.2
161.13229	9.9
163.11229	8.9
165.12724	3.3
167.10661	6.5
169.08569	8.4
171.11777	2.6
177.12726	6.2
179.14368	2.2
187.03915	2.1
189.12704	17.2
193.11250	1.8
195.13756	9.6
207.13777	100.0
208.14169	4.3
215.03299	2.1
217.04819	2.2
225.11307	3.3
225.14822	40.4
229.04926	2.0
243.02905	4.1
243.12196	2.7
243.15916	3.3
257.04373	3.3
259.05942	1.9
260.08978	2.0
261.03900	45.8
273.03870	34.4
274.04608	6.3
285.03882	6.2
287.05463	6.3
303.04926	27.3
313.07074	7.5
327.04868	12.3
341.06848	2.7
357.06027	7.6
369.05807	2.2
377.75882	2.0
387.07120	10.3
405.08008	15.0
423.09174	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05499	4.8
56.93074	1.0
57.07056	2.8
59.78571	1.4
65.03960	1.1
67.05490	5.3
68.99787	1.8
69.03418	16.7
69.07049	4.3
70.00583	8.1
71.01332	1.7
71.04979	3.4
76.02238	1.5
79.05473	4.4
79.35778	1.3
81.03400	3.2
81.07061	7.7
83.04971	25.7
85.02905	9.4
85.06533	4.1
85.73289	1.1
86.11409	1.3
91.05458	5.1
93.07031	6.8
95.04951	9.3
95.08594	9.2
97.02869	2.4
97.06507	5.4
97.10179	1.4
98.21465	1.4
99.04430	2.7
102.03742	1.6
105.07040	9.4
106.65659	1.4
107.04906	1.6
107.08593	12.6
109.02873	4.3
109.06493	14.5
109.10143	2.3
110.07146	2.0
111.08044	2.3
113.06001	22.9
115.03900	3.8
119.08583	7.6
121.06496	1.8
121.10163	7.9
122.02690	7.2
123.04406	5.9
123.08059	14.8
123.11687	1.6
125.05976	3.8
127.03890	5.1
133.06438	4.0
133.10152	1.6
135.07993	1.7
135.11679	15.2
137.09589	3.4
138.09102	1.4
139.07562	1.8
141.05428	5.7
147.08025	2.9
147.11662	5.8
149.07454	1.5
149.09602	4.8
151.07516	12.0
153.01807	1.6
159.06516	30.5
159.07828	2.4
159.11702	2.2
160.06827	2.4
161.05927	1.7
161.09590	1.9
161.13283	9.6
163.03879	1.4
163.11089	2.1
165.12798	2.1
167.03491	1.3
167.10681	5.5
169.08578	4.2
177.09129	2.4
177.12735	3.7
179.14247	2.5
186.10933	1.4
187.04005	2.1
188.61006	1.3
189.09094	1.4
189.12671	6.0
195.13849	3.6
201.05412	1.6
207.13783	49.4
211.03926	2.0
215.03456	1.9
217.05061	1.9
225.05428	2.3
225.11336	2.9
225.14832	40.3
225.17067	2.1
228.04083	1.6
229.04895	2.0
231.02896	2.2
233.04356	3.9
239.03477	1.5
243.03001	1.6
243.06773	1.3
244.03798	6.2
245.04089	13.6
246.05215	4.0
249.04004	5.8
253.04976	1.3
255.02806	1.8
255.12112	3.9
256.03656	2.7
257.04410	8.7
259.06033	5.8
260.03391	2.4
260.06351	12.1
261.03983	10.3
269.04489	1.8
271.05994	3.6
273.03906	100.0
274.04648	19.4
281.04474	1.8
283.11505	2.2
285.03912	16.7
287.02365	1.9
287.05441	8.5
293.11655	5.3
297.03928	3.3
298.04688	2.4
299.05521	10.0
301.03494	2.3
301.12665	11.3
303.04959	80.8
313.03479	3.3
313.06973	18.1
315.05038	2.6
323.05441	2.9
327.01495	1.1
327.04929	31.1
333.05984	1.9
333.10275	1.3
339.04922	6.2
341.06442	5.3
351.04944	3.2
357.05960	19.6
369.05945	13.3
387.07025	22.2
405.08139	34.5
422.15015	8.7
423.09198	61.4
443.57761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05492	0.9
57.03443	0.4
57.07075	1.4
61.02918	0.7
67.05498	1.7
69.03426	1.4
69.07054	0.8
69.64985	3.4
71.04975	0.8
71.08244	0.7
71.08620	9.9
77.24799	0.3
79.05483	1.6
81.03400	0.7
81.07050	6.3
85.02905	4.9
85.06534	21.1
86.06859	0.5
91.05477	1.3
93.07011	0.9
95.04978	0.8
95.08614	1.4
97.02872	1.9
97.06503	1.1
98.21364	0.9
99.08083	60.9
100.08412	0.5
101.02334	0.4
105.07011	3.1
107.08569	1.1
109.06511	7.7
109.10144	0.7
117.07009	0.5
119.08592	2.0
121.06519	0.5
121.10132	0.7
123.04425	0.7
123.08136	0.4
127.07541	100.0
128.07874	1.4
131.08546	0.5
133.06490	0.4
133.10112	0.5
139.03899	0.5
143.03381	0.5
145.04944	1.4
145.08676	0.5
145.10092	2.3
147.11655	2.5
149.09595	0.5
151.03900	0.5
155.14261	1.1
157.10020	0.5
161.37167	0.4
165.12837	0.8
167.10669	0.4
168.92603	0.3
169.08594	0.8
173.09601	2.4
175.11208	1.3
179.14235	0.5
180.08609	1.5
183.13814	1.7
191.10637	1.6
197.15395	2.2
225.14821	3.8
237.11157	0.7
243.15886	4.6
271.05994	1.2
315.19473	0.4
330.21384	0.9
345.16864	0.7
404.24802	0.8
405.18991	1.6
422.25839	0.9
423.10367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05492	0.9
57.03443	0.4
57.07075	1.4
61.02918	0.7
67.05498	1.7
69.03426	1.4
69.07054	0.8
69.64985	3.4
71.04975	0.8
71.08244	0.7
71.08620	9.9
77.24799	0.3
79.05483	1.6
81.03400	0.7
81.07050	6.3
85.02905	4.9
85.06534	21.1
86.06859	0.5
91.05477	1.3
93.07011	0.9
95.04978	0.8
95.08614	1.4
97.02872	1.9
97.06503	1.1
98.21364	0.9
99.08083	60.9
100.08412	0.5
101.02334	0.4
105.07011	3.1
107.08569	1.1
109.06511	7.7
109.10144	0.7
117.07009	0.5
119.08592	2.0
121.06519	0.5
121.10132	0.7
123.04425	0.7
123.08136	0.4
127.07541	100.0
128.07874	1.4
131.08546	0.5
133.06490	0.4
133.10112	0.5
139.03899	0.5
143.03381	0.5
145.04944	1.4
145.08676	0.5
145.10092	2.3
147.11655	2.5
149.09595	0.5
151.03900	0.5
155.14261	1.1
157.10020	0.5
161.37167	0.4
165.12837	0.8
167.10669	0.4
168.92603	0.3
169.08594	0.8
173.09601	2.4
175.11208	1.3
179.14235	0.5
180.08609	1.5
183.13814	1.7
191.10637	1.6
197.15395	2.2
225.14821	3.8
237.11157	0.7
243.15886	4.6
271.05994	1.2
315.19473	0.4
330.21384	0.9
345.16864	0.7
404.24802	0.8
405.18991	1.6
422.25839	0.9
423.10367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01867	1.9
55.05499	1.7
57.03423	1.3
57.07063	1.7
58.98342	0.7
58.99573	2.0
64.83799	0.9
65.03923	1.3
67.05495	8.4
69.03423	37.0
69.07063	1.9
70.27953	1.9
70.28370	2.3
71.01348	5.4
71.04979	8.9
76.02222	4.1
79.05476	1.9
81.07063	1.9
83.04974	41.3
84.08147	0.9
85.02890	3.7
85.06538	9.3
86.00627	2.1
86.99050	1.4
91.05485	5.3
93.07028	2.9
95.04958	17.1
95.08588	2.9
97.02887	2.4
97.06525	4.1
99.04436	3.6
105.00075	1.9
105.07013	3.5
107.08562	1.3
108.22717	0.9
109.02837	1.8
109.06480	3.6
109.10130	1.0
110.07139	2.0
111.04411	1.1
111.08073	1.9
113.05994	74.5
114.06325	2.1
115.02138	2.5
115.03914	10.8
117.06998	1.2
119.04937	1.4
119.08557	3.4
121.06532	1.8
121.10101	1.9
122.02712	18.6
123.04444	5.1
123.08009	2.2
125.05979	7.0
127.03880	9.1
132.01154	3.6
133.10123	1.8
135.08012	0.9
135.11661	1.6
136.12737	0.8
137.05981	2.0
137.09570	1.8
138.09081	1.3
141.05450	19.9
141.06482	1.7
143.07066	0.9
143.08501	1.3
145.10045	1.4
147.04341	0.9
147.08017	2.0
149.09615	2.7
151.07561	3.3
159.06517	100.0
160.06828	1.3
161.05878	0.9
161.09619	3.1
161.13280	2.0
165.08968	1.0
165.95914	0.8
167.10715	1.6
173.09584	1.7
177.09062	2.6
179.10693	1.8
189.09093	1.8
189.12689	1.2
207.10178	2.1
207.13782	7.5
219.10207	4.8
225.11218	3.0
225.14742	6.8
226.07381	1.0
233.04301	0.9
237.11200	6.6
239.07115	0.9
241.09763	1.0
243.12228	1.5
244.03658	10.9
245.03979	21.2
249.03989	1.4
255.12288	9.8
257.04367	1.8
259.06030	14.8
260.06357	27.2
260.09247	1.4
260.56491	1.0
261.03940	3.0
265.10751	1.3
273.03931	20.0
273.07925	2.7
274.04678	4.8
283.11746	11.1
285.03928	3.5
287.05380	2.1
298.04684	0.9
299.05414	2.4
301.12781	33.7
302.13086	1.7
303.04947	17.1
313.07037	4.4
327.04910	6.3
333.09924	2.2
341.06512	1.0
357.05914	3.4
358.13358	1.2
369.06097	1.3
387.07050	4.5
405.08081	6.3
422.15253	24.5
423.09137	10.2
423.14621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2582
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.07071	0.9
67.01865	0.9
67.05497	1.4
68.95814	0.5
69.07063	5.3
69.68562	3.8
71.04978	0.4
79.05486	0.6
81.07038	1.5
82.75171	0.4
91.05460	0.9
93.07028	1.7
95.04964	0.9
95.08574	0.8
105.07022	0.7
107.08586	1.7
109.10130	1.0
121.06497	1.6
121.10153	0.5
123.11710	5.4
135.11670	3.3
138.24692	0.4
139.03891	1.2
146.61258	0.4
149.05951	3.2
153.05455	1.5
165.05490	3.0
167.07014	1.3
177.05460	21.4
178.05800	0.6
183.06519	1.2
193.04985	1.0
195.06517	100.0
196.06850	1.9
197.94566	0.4
209.08081	0.5
221.11650	1.7
233.08032	0.6
255.21295	0.5
263.12744	1.0
273.14792	0.7
287.16370	1.6
294.61826	0.5
305.17383	0.5
307.79169	0.6
315.16016	1.0
317.17468	24.5
318.17731	1.2
333.17044	0.6
335.18500	12.5
353.19513	0.7
385.23770	1.0
403.24716	1.5
421.25427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2578
Annotation	cadiyenol
Peak:m/z	Relative Intensity
51.02383	2.4
55.01859	4.1
55.05500	9.4
57.03420	2.8
67.05489	15.7
67.99347	2.0
69.03423	7.7
69.07052	6.2
70.93247	5.2
73.06547	33.0
79.05481	10.0
81.03386	2.5
81.07044	15.8
82.39211	2.3
83.01322	3.0
83.04959	2.8
83.08632	3.0
85.58460	2.2
91.04994	2.3
91.05466	14.4
93.07027	22.4
95.04960	13.1
95.08602	12.2
97.06551	2.2
100.11748	1.9
105.07023	24.2
107.04968	7.2
107.08578	26.4
109.06499	5.9
109.10138	15.3
111.08060	6.4
117.07005	5.6
119.08583	14.6
121.06474	7.5
121.10137	22.0
123.11695	10.3
126.27805	2.5
128.06201	6.7
131.08566	7.4
133.06470	6.6
133.10094	19.6
135.08057	9.7
135.11670	41.8
137.05971	21.6
137.09612	4.8
143.08574	12.2
145.10121	7.1
146.07289	3.3
147.08014	5.6
147.11699	7.6
149.09599	8.2
151.07576	10.7
153.05428	8.6
157.10141	8.6
159.07994	2.9
159.11690	5.5
161.05991	3.1
161.09641	24.0
163.07542	7.6
163.11174	4.0
167.07011	3.3
168.13936	2.2
169.10071	3.1
169.12267	6.3
171.08022	7.1
173.09608	5.8
175.11159	19.8
177.09120	4.5
181.10004	2.5
183.11786	2.3
185.09679	2.9
187.07607	3.6
188.08249	2.2
189.09077	17.8
191.07025	21.6
193.12283	6.1
203.10654	48.8
205.08684	2.7
206.59547	2.1
207.06573	4.9
207.10135	4.3
217.08582	17.9
219.10120	4.3
221.11656	15.4
225.16125	2.4
231.10175	8.8
243.13536	2.4
249.11191	27.4
293.19040	4.7
303.15778	3.2
311.20154	6.4
313.18066	16.1
329.21072	11.0
331.18988	39.5
339.19461	7.5
343.22809	6.1
345.56046	2.1
349.19995	19.2
353.20908	7.4
371.22125	100.0
372.22467	6.9
389.23178	41.3
403.24820	16.8
421.25714	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	421.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.8
57.03445	0.7
65.03914	0.6
67.03548	0.8
67.05491	7.0
69.07062	17.3
69.90289	2.4
69.90703	1.8
71.04980	0.8
73.32199	0.6
78.54900	0.6
79.05480	2.7
81.03392	1.5
81.07050	4.7
83.08598	1.7
91.05465	4.2
93.07040	8.2
95.04963	4.2
95.08593	3.5
97.10141	0.9
105.07000	3.4
107.04923	1.9
107.08585	4.0
109.06491	1.2
109.10140	4.7
110.46161	0.6
114.14983	0.6
117.07046	1.0
119.08573	2.0
121.06498	4.0
121.10142	1.8
121.21151	0.8
123.08115	0.9
123.11705	1.7
125.09609	1.0
129.07005	0.9
131.08554	2.2
133.10112	1.9
135.08080	1.1
135.11668	5.2
137.06003	0.7
137.09581	1.2
141.07021	0.7
145.10147	1.5
147.08061	1.2
149.05956	2.0
149.09683	0.8
153.05508	1.6
157.10159	1.1
159.07991	1.1
163.07524	1.3
165.05434	2.4
167.03371	1.0
167.07004	1.7
170.00966	0.7
173.09532	0.8
175.11118	1.0
177.05446	12.1
179.07001	1.7
183.06549	4.0
187.07510	2.4
191.07036	7.8
195.06508	40.1
203.10583	1.2
205.08609	2.3
209.08066	29.8
213.12793	1.0
215.06998	8.7
215.10583	0.7
219.06592	1.1
221.08029	0.8
231.10098	1.1
233.08078	23.3
235.09595	1.1
243.10213	1.3
247.09665	0.9
249.14847	0.9
261.11194	17.4
275.12885	0.7
287.16370	3.4
305.17322	1.3
311.20010	1.3
315.16049	0.8
317.17441	100.0
318.17661	5.3
329.21024	5.5
335.18506	11.4
347.22168	0.9
385.23822	1.5
403.24670	4.6
421.25781	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	421.2571
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
55.01850	2.7
55.05501	8.7
57.03422	2.6
57.07063	100.0
67.05483	12.9
69.03426	9.2
69.07055	8.5
71.04987	3.5
71.12634	2.8
71.12968	5.5
76.51196	2.3
79.05464	11.1
81.03409	3.3
81.07053	17.3
83.01341	3.1
83.08614	3.7
85.06523	14.9
91.05484	13.5
93.03344	2.4
93.07013	20.5
95.04941	14.3
95.08593	14.0
97.06525	4.1
97.10175	2.6
105.07014	41.0
107.04976	3.5
107.08585	21.2
109.06515	3.3
109.10129	9.3
111.04443	3.8
113.41718	2.2
117.07011	6.2
119.08559	18.5
121.06472	6.0
121.10139	17.7
123.08072	3.1
123.11702	8.1
125.05996	6.1
128.06223	6.5
129.07047	4.7
130.07857	2.6
131.08521	10.8
133.06447	2.6
133.10095	12.9
135.08026	9.5
135.11670	22.6
137.05945	6.2
137.09625	8.2
142.07755	6.0
143.08559	19.5
145.06413	2.8
145.10114	24.5
147.08029	4.5
147.11630	15.7
149.09616	7.1
149.13260	3.4
151.07523	5.3
153.05461	11.5
153.06888	2.6
155.08549	7.6
157.10081	12.5
159.08044	4.4
159.11662	6.6
161.09573	13.2
163.07471	5.3
163.11174	2.9
165.05469	2.3
165.06949	4.4
165.09100	6.8
167.10599	3.1
169.10165	8.2
171.08012	10.2
171.11720	3.6
173.09547	14.0
175.07471	2.6
175.11139	18.2
177.05641	2.7
177.09097	3.4
177.12849	2.6
180.09219	3.1
181.10094	3.0
182.10971	5.0
183.11641	6.2
185.09619	4.8
185.13196	11.6
187.07397	4.3
189.09099	10.2
191.07103	3.1
191.10648	11.3
193.12386	2.5
195.11676	21.4
197.13200	21.2
198.10358	2.5
199.07463	5.6
199.11206	3.4
203.10626	25.2
203.14491	2.4
213.11195	3.3
213.12791	26.0
217.08598	10.6
219.10095	5.9
221.11612	6.2
223.11249	6.3
225.12730	6.8
231.10152	11.3
237.11095	2.6
241.12267	11.6
249.11232	10.3
251.10809	3.2
253.19518	6.4
255.13696	11.6
257.15363	4.7
259.09683	11.9
259.13315	4.0
260.60486	2.8
263.12747	2.7
265.10745	3.4
269.11734	9.4
273.14835	32.0
279.17508	4.2
281.18924	5.3
283.13324	4.7
287.12732	3.9
291.15811	13.5
293.19077	3.5
297.18509	9.6
299.19946	2.6
301.14276	16.3
309.18594	7.3
311.20026	5.7
313.17920	3.7
319.15393	4.1
325.14410	2.5
325.17950	8.5
329.21075	13.5
339.19418	6.8
341.21140	8.0
343.18762	3.5
343.22614	5.2
353.17432	2.9
353.20981	4.7
357.20584	18.8
359.21994	4.0
367.18802	4.8
371.22107	31.6
385.19781	18.8
385.23853	2.1
389.23203	12.2
403.20575	5.0
403.24838	9.0
421.25879	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	421.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52475	0.4
55.01858	0.7
55.05489	1.8
57.03416	1.0
57.07067	8.1
67.01842	0.6
67.05493	4.9
68.99773	1.5
69.03403	1.0
69.07059	8.2
69.78642	2.0
69.79078	2.0
79.05484	2.8
81.03387	0.6
81.07047	4.3
83.01310	0.7
83.04960	0.6
83.08597	0.9
85.06512	2.1
91.05465	3.3
93.07036	6.7
95.04958	3.8
95.08598	3.5
97.06516	1.4
97.10136	0.6
105.03371	4.2
105.06997	2.7
107.04939	1.0
107.08573	4.3
109.06476	0.8
109.10123	2.4
110.46587	0.5
111.08045	1.6
115.05432	0.5
117.07022	1.4
119.08557	2.0
121.06485	2.4
121.10140	2.4
123.11684	10.8
124.77962	0.6
125.09626	0.7
125.38578	0.5
129.06969	1.1
131.08524	2.0
133.06418	0.6
133.10141	3.3
135.08025	0.8
135.11678	7.2
137.05893	0.6
137.09590	0.9
139.03897	0.8
143.08556	2.6
145.06413	0.7
145.10117	2.4
147.04395	2.5
147.07974	0.5
147.11649	1.1
149.05942	3.5
149.09628	0.9
153.05426	1.5
155.08492	1.0
157.10144	1.2
159.08041	0.5
159.11670	1.6
161.09627	0.8
164.70302	0.4
165.05476	5.1
167.07001	2.2
167.08276	0.7
169.10068	1.3
171.08066	0.6
171.11676	1.0
173.09538	1.5
175.11185	1.2
177.05453	24.2
177.07002	1.2
183.06546	3.1
183.11678	0.9
185.13251	1.2
187.11145	0.7
189.05521	0.5
193.04855	1.4
195.06503	100.0
195.11600	1.7
196.06847	2.2
197.04488	0.5
197.13210	1.6
203.06863	0.6
203.10687	1.0
209.08138	1.3
213.12843	2.4
213.16280	1.0
217.08440	0.8
221.11635	1.7
231.13724	0.7
231.17401	1.2
233.08054	1.4
241.12315	1.1
251.12794	1.8
255.13745	0.8
256.73431	0.5
259.09659	0.7
261.11096	0.7
263.12500	0.6
269.11807	0.8
273.14801	2.4
287.16409	1.4
291.15723	0.6
297.18286	0.7
301.14359	1.4
309.18320	0.8
315.15845	1.6
317.17438	34.6
318.17584	0.9
329.17566	0.7
329.21173	3.6
335.18423	4.0
341.21146	1.4
347.22278	0.6
347.26636	0.5
357.20605	1.2
367.19009	0.7
384.07397	0.5
385.19537	0.8
385.23770	1.5
403.25027	3.3
421.25986	5.9
421.35001	0.8
447.18961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.8
55.05499	27.8
57.03418	10.2
57.07056	9.6
65.03953	3.7
67.05492	54.8
69.03413	32.5
69.07056	31.1
71.04974	7.9
71.80548	4.0
79.05482	40.8
81.03405	15.4
81.07043	34.8
83.01334	14.9
83.04969	6.4
83.08609	14.1
83.91300	2.6
85.02894	4.2
85.06517	4.9
91.05459	42.3
93.07021	39.0
95.04948	52.7
95.08587	33.4
97.06492	3.6
97.10166	16.9
102.91894	3.0
103.05463	3.4
105.07014	99.9
107.04936	18.0
107.08570	32.4
109.06496	9.0
109.10143	25.3
111.08070	3.4
113.05991	3.1
117.06991	19.4
119.04911	3.9
119.08559	29.0
121.06487	23.4
121.10143	24.4
123.04435	2.9
123.08057	9.2
123.11714	3.0
125.09621	11.3
129.06967	17.9
130.07764	5.0
131.04922	3.8
131.08531	22.6
133.06480	9.3
133.10110	15.7
135.08028	11.6
135.11679	7.7
137.09592	8.7
139.07471	2.6
141.06955	4.9
142.07767	6.9
143.03415	7.2
143.08519	13.2
145.06490	3.4
145.10095	62.8
145.11212	3.7
146.10565	3.7
147.08035	7.2
147.11662	60.6
149.05966	5.6
149.09624	7.1
151.07515	2.7
153.07068	3.2
153.09085	30.5
155.08516	8.0
157.06497	4.9
157.10132	15.4
159.08029	3.9
159.11644	13.0
161.09607	6.7
163.07504	3.2
163.11147	12.2
165.06848	2.8
167.08614	5.4
167.10674	4.1
168.09363	5.5
169.08652	5.7
169.10123	9.0
171.08051	6.7
171.10153	33.8
171.11557	4.4
173.09595	32.5
173.11043	2.7
173.11757	5.4
173.13162	3.2
175.11154	52.8
175.14673	2.4
177.12726	6.9
181.10225	4.7
183.11688	14.1
185.09488	5.2
185.11728	24.6
185.13176	4.6
187.11206	7.7
189.09137	7.1
189.11226	6.8
191.10649	46.2
193.04953	3.1
193.12181	16.0
195.11714	4.5
197.09668	3.1
197.12953	3.3
199.11162	4.5
201.12747	4.7
203.10655	8.2
203.12717	7.3
205.12262	7.4
211.11166	14.2
213.12730	11.9
215.14333	5.2
217.12251	4.2
219.10217	7.8
223.13170	3.5
229.12274	7.0
231.13817	7.7
237.11095	16.3
239.10661	10.5
241.12271	7.1
243.13821	10.0
249.14798	9.3
257.11816	5.7
263.40390	2.5
271.13293	18.5
273.14868	9.6
286.29703	2.8
289.14542	3.5
299.12787	6.0
301.14288	3.5
301.21426	3.3
311.19940	18.1
317.13766	20.3
325.18167	2.6
327.19601	7.3
329.21021	76.2
330.21426	3.9
335.14871	18.8
338.75861	3.1
341.20914	2.8
343.19159	5.0
347.22107	14.2
353.16153	4.8
357.16809	3.6
359.22366	3.1
371.18582	6.5
385.23764	4.8
389.19397	13.4
403.24927	53.4
421.25824	100.0
422.25842	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	421.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	100.0
66.75276	1.2
67.05490	2.2
69.03411	7.7
69.60172	13.7
69.60500	1.8
71.55657	1.2
79.05484	1.7
81.07027	2.3
83.01339	1.6
83.04973	1.6
85.06512	11.4
91.05438	4.1
93.07021	3.8
95.08580	2.5
97.02916	1.9
98.20657	3.0
105.07011	20.0
107.08567	4.1
117.06991	1.4
119.08550	5.2
119.28632	1.6
121.10131	3.5
123.11672	3.2
125.02294	1.7
125.05963	3.6
128.06168	1.9
131.08517	3.2
139.45654	1.4
142.07703	2.2
143.08540	13.5
145.10123	14.3
147.11658	9.2
149.05984	3.0
153.05473	2.8
155.08543	4.0
157.04941	4.8
157.10092	8.1
159.11696	2.2
165.07004	2.6
167.07042	2.1
167.08528	2.7
169.10144	3.8
171.08057	7.1
171.11751	2.0
173.09586	8.5
175.11198	12.4
180.09311	4.8
181.04962	1.9
181.10057	2.6
182.10851	4.1
183.11629	5.7
185.09593	1.7
185.13243	10.0
187.07478	2.4
187.14857	1.7
189.09200	1.6
191.10623	8.1
195.10072	2.5
195.11668	17.8
196.12387	2.2
197.13205	11.3
198.10475	1.9
199.09566	2.8
211.11166	3.5
211.14760	2.8
213.11058	4.8
213.12732	25.0
223.11186	10.2
225.12692	3.9
225.16367	3.3
227.14247	2.8
231.10199	5.9
241.12207	13.8
243.13808	2.4
251.10681	3.0
251.18025	3.6
253.19525	8.8
255.13760	8.0
257.15115	1.6
259.09631	6.9
259.13373	3.0
265.10550	1.9
269.11755	8.4
269.18860	1.9
273.14838	31.4
279.17480	2.3
281.18924	3.6
283.13336	3.1
287.12747	3.0
291.15906	13.0
297.10849	1.5
297.18503	8.2
299.20004	2.6
300.14713	1.4
301.14328	13.9
307.16779	4.3
307.69699	1.6
309.18469	4.7
319.15393	4.4
325.17902	6.1
339.19516	4.4
341.21008	6.0
343.18777	2.1
347.14859	1.7
357.20544	29.7
359.22003	6.0
367.18723	3.6
385.20142	13.6
403.21091	5.9
421.22726	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27666	1.0
57.07067	100.0
65.03911	1.4
67.05476	1.3
67.13367	0.9
69.03407	5.7
69.07055	1.0
69.91010	1.0
69.91660	5.8
71.67084	0.9
79.05469	1.5
81.07044	2.8
83.01345	1.1
83.04935	1.4
85.06541	13.8
91.05450	1.9
93.07025	4.6
95.08591	3.4
97.06508	1.1
98.20713	1.9
105.06348	1.6
105.07012	20.2
107.08554	4.5
111.04438	1.3
114.42053	1.0
117.07016	2.6
119.08571	6.2
121.06436	1.1
121.10138	2.7
123.11668	3.1
125.05953	2.4
128.06195	2.9
129.05469	1.4
129.06953	1.5
130.07796	1.3
131.08543	3.7
132.09314	1.2
137.09590	1.6
142.07756	2.0
142.72435	1.1
143.03410	1.2
143.08542	11.8
145.04906	1.3
145.10100	15.2
147.11679	9.1
149.05937	1.9
149.13216	2.1
153.05432	4.0
155.08553	4.3
157.04922	2.1
157.10118	6.0
159.07985	1.6
159.11655	2.1
163.11322	1.1
165.06966	2.6
167.08521	2.0
169.10126	1.9
171.08054	7.2
171.11659	2.9
173.09586	8.1
175.11165	10.9
180.09267	2.6
181.04973	2.1
181.10158	1.9
182.10931	4.1
183.08002	2.9
183.11685	3.7
184.08472	1.0
185.13222	9.7
187.11263	1.2
189.09105	2.4
191.10648	8.7
195.10072	2.1
195.11691	17.8
196.12357	1.7
197.04353	1.4
197.13260	19.0
198.10316	2.0
199.07655	2.0
199.09579	3.1
199.11185	1.8
201.09081	1.5
203.10605	2.2
203.14206	1.6
207.11560	1.5
209.04344	1.5
209.13307	1.5
211.14716	1.9
212.11935	1.1
213.11119	2.8
213.12773	25.4
214.13199	1.3
215.10550	1.3
215.14264	1.2
223.11182	7.4
224.15385	1.1
225.12700	5.4
225.16400	2.2
227.14224	2.5
231.10063	4.9
231.13791	3.2
241.12202	15.5
241.15950	1.1
245.15291	1.6
251.10699	2.7
251.17845	1.9
253.19481	8.0
255.13782	10.3
257.15359	2.7
259.09601	8.9
259.12848	2.0
265.10724	1.8
269.11700	12.9
269.19116	1.3
273.14841	35.8
274.15161	1.3
279.17432	2.0
281.18930	3.9
283.13199	4.6
287.12808	1.7
291.15863	15.2
297.18399	9.1
299.19962	2.7
301.14297	15.5
307.16757	2.8
309.18481	4.1
311.12854	1.5
319.15369	4.8
325.17960	7.5
327.19559	1.7
339.19611	5.7
341.21106	7.4
343.19019	1.7
353.17517	2.5
357.20587	18.8
358.20630	1.4
359.22064	4.3
367.18863	4.3
385.20056	16.0
386.20554	1.6
403.21048	4.6
421.22147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.07069	100.0
61.55533	0.8
67.05482	2.1
69.03423	5.6
69.69077	6.8
77.90951	0.8
79.05492	1.6
79.96912	0.8
81.07050	2.2
83.01327	1.1
83.04981	1.6
85.06539	12.1
86.37556	0.9
91.05486	2.4
93.07030	2.6
95.08573	2.2
97.06528	1.8
105.07018	17.0
105.07713	1.1
107.08582	3.5
109.10123	1.3
111.04407	1.7
117.06987	2.8
119.08558	2.8
121.10138	3.9
125.02359	1.1
125.05968	1.7
128.06200	2.6
129.05452	1.6
129.07018	1.9
131.08569	2.9
133.10092	1.6
142.07767	3.0
143.08548	12.9
145.10104	14.0
146.10521	1.0
147.11656	2.8
149.06021	2.1
149.09509	1.2
153.05449	2.9
155.08575	4.6
156.09296	2.5
157.04906	1.9
157.10167	6.0
159.08029	1.1
159.11729	1.9
165.06972	2.6
167.08504	1.4
169.10130	3.2
170.10915	1.5
171.08043	7.0
171.11681	3.9
172.08591	1.1
173.09622	8.4
175.07405	0.9
175.11096	2.1
180.09337	3.5
181.04921	2.3
181.08537	1.0
181.10052	1.1
182.10889	3.8
183.08023	1.5
183.11684	3.2
185.09532	1.1
185.13228	9.4
187.07562	1.9
187.11098	1.4
189.09074	2.3
191.10632	7.1
193.10051	1.3
195.11668	14.5
196.12453	1.6
197.11609	1.4
197.13257	16.0
198.10345	1.9
199.07555	3.0
199.11217	1.3
201.09030	1.7
203.10744	2.1
209.04382	1.4
209.09758	1.2
209.13301	1.5
211.11101	1.2
211.14774	2.8
213.09331	2.0
213.11087	2.9
213.12782	19.4
214.13306	1.1
215.14304	3.0
217.08585	1.4
223.11205	9.5
223.14781	1.0
225.12683	4.3
225.16336	2.6
227.14343	1.8
229.12245	1.3
229.15959	1.1
231.10178	3.3
231.13728	2.2
231.81998	1.0
241.12247	10.6
241.15843	1.3
243.13750	2.3
251.10632	2.9
251.17934	1.3
253.19464	6.9
255.13794	5.5
257.15344	1.9
259.09634	13.2
259.13098	2.0
265.10739	2.2
269.11661	9.4
269.18887	1.5
271.20477	2.7
273.14841	27.9
274.15329	1.3
275.16458	1.1
279.17386	2.2
281.18924	5.0
283.13269	3.1
287.12711	2.3
291.15884	11.7
297.18549	7.1
299.19882	2.7
301.14313	10.2
307.17102	2.1
309.18393	3.8
319.15524	1.4
325.18005	5.8
331.22687	1.1
339.19467	4.1
341.21170	4.9
353.17291	1.5
357.20609	18.6
359.22141	3.6
367.18924	4.7
385.19986	11.9
403.21002	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.2
53.35672	1.3
56.96559	9.1
57.03424	2.2
62.04099	1.5
65.03918	4.7
67.05499	14.9
69.03416	7.3
70.41991	5.0
71.28185	1.5
73.02917	2.8
79.05470	3.3
81.03404	5.3
81.06979	1.4
83.04947	1.6
84.04472	2.5
84.08121	5.8
85.02895	21.4
86.09725	1.8
88.03957	1.8
89.03898	2.8
91.05457	14.5
93.03391	2.4
95.04951	7.2
97.02864	8.9
98.56025	1.3
98.97571	10.9
99.02650	3.9
99.04418	1.8
100.02187	3.5
103.03922	3.3
106.06516	2.6
107.04927	2.5
109.02861	4.8
110.06017	2.6
111.04442	1.7
113.05920	1.7
113.07872	1.3
115.03938	1.3
116.98611	10.6
117.03363	3.1
119.01885	4.7
119.04922	25.5
120.13407	1.3
122.06053	1.8
123.04377	4.1
125.00558	8.5
127.02123	68.5
127.03894	5.6
128.98579	3.6
130.08624	4.2
134.05965	7.9
134.99603	3.8
135.04372	7.3
136.06169	7.0
138.05481	30.5
139.03871	2.0
143.01791	1.6
145.02689	3.1
145.03627	2.0
145.04852	1.8
146.02695	5.7
146.99641	2.1
147.04391	100.0
148.04697	4.0
148.07523	1.5
149.41322	1.3
150.05482	4.3
151.03864	1.7
152.01651	1.6
152.07048	5.0
153.00020	4.3
155.01625	1.8
158.99644	2.3
159.06717	1.4
161.01186	2.2
161.02888	1.9
163.03871	36.2
164.04193	6.1
165.05486	2.2
168.04784	6.9
169.03456	2.8
170.02686	41.5
171.01018	2.5
176.07040	3.3
177.00621	5.7
177.03224	1.6
180.06535	44.3
184.04236	6.3
186.04276	1.7
187.04512	5.8
194.02705	1.7
196.04240	6.1
197.02925	1.4
203.02219	1.6
204.06544	4.8
205.05678	1.8
207.01488	1.6
210.05779	3.0
212.03740	67.0
213.04056	2.7
213.06856	3.9
219.01704	5.6
223.04573	2.2
229.05505	3.9
236.03728	6.7
237.02823	7.6
242.04810	7.0
246.07556	4.1
247.04420	1.9
247.06577	2.0
253.23808	1.6
255.07959	4.2
259.07465	32.1
266.04578	1.6
268.10355	3.0
275.06006	11.5
278.04871	4.9
282.09686	2.6
284.05881	9.0
293.07010	3.0
301.08524	25.9
303.07730	2.0
309.08673	2.6
314.06918	2.0
325.08386	2.6
337.08582	4.8
364.88293	1.6
375.12051	4.7
379.08698	3.8
385.11325	1.5
403.08521	2.9
409.81967	1.4
421.13025	62.4
422.13412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02656	0.2
60.19763	0.2
64.29008	0.2
67.05482	0.5
69.03394	0.2
69.07040	0.2
71.04969	0.2
71.30194	0.3
74.20304	0.2
77.73578	0.2
79.05479	0.3
81.07050	0.3
85.02866	0.3
85.28004	0.2
91.05457	0.2
95.08591	0.4
97.02839	0.2
105.07011	0.4
109.10166	0.4
120.86289	0.2
121.06548	0.2
121.38724	0.2
123.04331	0.3
167.07056	0.4
171.04416	0.5
188.04665	1.7
191.03275	0.2
199.03842	2.3
215.03159	0.2
216.04134	6.9
227.03424	1.2
228.04158	0.7
244.03635	22.6
245.03995	0.8
259.05975	100.0
260.06296	3.6
295.59317	0.2
329.20850	0.2
421.25708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01845	0.4
55.88236	0.1
57.03173	0.1
57.03424	1.2
61.02920	1.0
68.37723	0.1
69.03419	4.2
69.55018	0.3
69.55440	1.0
71.01317	0.3
71.04961	0.4
73.02905	0.7
81.03397	1.2
83.01299	0.2
85.02893	16.3
86.39249	0.1
87.04427	0.4
91.03919	0.4
97.02885	2.7
99.04454	0.9
101.02364	0.3
103.03902	0.5
107.03722	0.1
109.02869	1.3
111.03716	0.1
115.03934	0.3
119.09361	0.1
120.60236	0.1
121.02846	1.9
127.03896	3.2
137.02306	0.6
145.04961	1.4
160.05142	0.4
188.04707	0.9
199.03828	0.2
207.02950	0.2
214.02591	0.2
215.03400	0.5
215.22874	0.2
216.04181	1.2
227.03355	3.8
228.04115	0.9
242.05708	0.4
243.02853	1.0
243.06494	0.2
244.03641	23.4
245.03969	1.1
257.04443	0.2
258.05133	0.2
259.05981	100.0
260.06317	4.0
268.03513	0.3
271.05908	0.4
274.04785	0.2
283.05948	0.6
301.07010	3.3
302.07382	0.2
313.06824	0.2
319.03339	0.2
319.07571	0.2
325.06870	0.3
337.06583	0.2
343.08066	0.2
421.11154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
66.31761	0.3
67.05473	0.3
67.64677	0.3
69.03395	0.6
69.07030	0.4
70.06561	0.3
71.80795	0.3
75.41862	0.2
79.05486	0.3
81.07032	0.3
84.08099	0.2
85.02850	0.9
86.09666	0.4
91.05463	0.6
97.02838	0.4
103.05471	0.3
105.06976	1.0
110.07047	0.3
115.07568	0.4
119.08597	0.3
121.06435	0.3
123.04440	1.3
129.06924	0.2
135.04367	0.3
137.02341	0.4
137.05980	0.3
139.03879	0.4
147.04395	0.4
149.75000	0.3
150.25668	0.3
151.03802	0.3
153.05405	0.4
159.04324	0.3
161.06050	0.5
164.11891	0.3
167.07001	0.3
171.04889	0.4
177.00740	0.4
179.06940	0.3
216.04155	0.9
225.14896	0.2
228.06438	1.4
243.15881	0.4
244.03648	40.2
245.04051	1.7
257.04468	0.3
259.06000	100.0
260.06339	4.7
273.04037	0.3
301.07144	0.5
367.11868	0.3
385.12943	0.8
403.11749	0.4
421.11267	20.8
422.11829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05497	1.3
57.03427	0.5
57.07062	1.9
63.40248	0.5
67.05499	4.9
67.30457	0.5
68.99774	0.5
69.03417	2.7
69.07056	3.3
71.04978	1.1
72.37211	0.4
73.02898	0.7
79.05478	7.0
81.03417	2.4
81.07046	100.0
82.07387	1.1
83.56815	0.5
85.02893	8.4
85.06500	0.5
87.00818	3.1
91.05476	1.0
93.07042	1.3
93.46295	0.5
95.04962	0.8
95.08594	18.5
97.02886	5.1
99.04438	1.4
103.18616	0.5
105.01854	8.0
105.07020	0.6
107.04955	0.5
107.08518	0.5
109.02892	1.5
109.06542	0.5
109.10146	2.1
114.66930	0.4
119.08551	0.5
120.74787	0.6
121.06520	0.6
121.10095	0.8
126.30280	0.4
127.03899	7.2
133.10071	0.6
137.13239	27.1
145.04945	5.7
159.02896	1.4
173.09573	0.8
174.10007	0.6
231.05034	4.0
249.06055	1.5
264.17557	0.4
284.09830	0.9
329.21402	0.8
403.24823	1.1
421.25870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
57.03429	0.5
57.07064	0.5
61.02906	0.6
62.48475	0.4
67.05499	2.3
69.03413	3.0
69.07073	1.0
71.04986	0.7
73.02917	0.5
79.05489	6.3
81.03428	2.4
81.07047	100.0
82.07373	2.6
85.02892	7.7
87.00819	3.7
91.05499	0.4
93.07035	1.2
95.04967	0.9
95.08594	8.0
97.02879	3.9
98.20673	1.0
99.04449	1.0
105.01852	8.9
107.08609	1.1
108.04459	0.6
109.02887	1.9
109.10106	1.0
126.05525	0.5
127.03911	8.2
132.47803	0.4
137.09631	0.6
137.13239	34.6
138.13608	1.1
141.24266	0.4
145.04935	4.4
154.15829	0.5
159.02910	1.1
182.15536	0.4
204.19136	0.4
217.19336	0.4
230.06709	0.5
231.04985	4.8
239.82416	0.4
248.07669	0.6
249.05949	2.8
284.09683	2.1
300.95370	0.4
329.20950	0.6
403.24771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
55.05487	1.2
57.90836	1.0
58.06590	2.0
67.05481	1.6
67.25756	0.8
69.03403	1.2
69.81920	5.8
69.82356	1.3
70.06578	6.9
71.61886	1.2
72.08120	1.8
74.06073	4.6
81.03410	2.7
81.07014	1.1
82.06556	2.0
84.04471	2.4
84.08125	2.1
85.02887	2.1
85.05302	1.0
86.06051	38.9
86.06580	2.1
87.04407	1.2
91.05465	2.9
93.07009	1.1
94.06545	7.5
95.04955	2.1
96.43328	0.9
97.06516	1.0
100.07607	7.8
105.06927	1.0
107.04941	1.5
107.08563	1.2
109.02866	1.2
110.05961	1.3
111.44046	1.0
112.07587	16.1
119.04932	3.8
121.06483	4.4
123.04404	48.0
124.04714	1.4
127.03907	1.8
130.04976	1.0
130.08574	1.1
133.06461	1.6
134.16252	0.9
135.04395	3.0
135.07959	1.6
137.05978	2.1
139.03893	3.3
141.05441	7.4
145.06445	2.0
145.46440	1.2
147.04381	14.4
149.05971	8.0
151.03865	10.3
153.05501	2.1
161.05922	2.9
163.03889	4.4
163.07564	6.3
165.05458	14.3
166.56688	1.0
167.07037	2.4
173.05930	5.3
175.03912	4.4
176.04674	2.0
177.05438	83.4
178.05798	2.6
178.97885	0.9
179.07004	1.8
181.05008	1.4
182.05365	1.4
187.07501	1.2
189.05424	2.9
190.08641	1.6
191.06975	13.2
193.04953	1.8
201.05453	10.3
201.15784	1.0
203.03513	1.0
203.06955	2.9
204.10078	1.4
207.06488	2.8
219.06485	48.9
220.06827	1.3
221.08099	2.2
222.11263	1.5
223.13315	1.5
231.06534	5.4
232.09662	14.6
233.08064	1.4
234.98883	2.4
241.14305	1.1
243.06508	1.9
244.09555	1.4
250.10712	76.0
251.11104	3.3
262.10779	1.2
268.11850	3.8
285.07639	3.1
289.03421	1.4
303.08600	2.4
311.09103	3.8
314.83853	1.0
327.08633	3.0
329.10147	7.9
353.10193	2.8
371.11191	8.9
384.14301	16.9
402.15405	100.0
403.15955	6.0
420.16479	58.8
421.16788	3.6
426.33823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01863	6.9
57.03432	12.1
58.98215	0.9
59.04986	1.9
59.82892	0.9
61.02654	1.1
61.02921	10.1
65.03938	1.6
66.92091	0.8
69.03065	1.4
69.03422	24.3
70.36888	4.5
71.01337	4.0
71.21455	0.8
73.02908	74.1
81.03414	4.6
85.02894	61.3
85.03326	0.9
86.06056	2.4
87.04457	2.9
91.03921	2.4
91.05469	100.0
92.05780	1.6
97.02881	63.2
98.03144	0.9
98.20843	1.2
99.04442	2.7
103.03919	3.3
105.07032	6.0
106.11525	1.0
109.02836	5.4
112.07589	1.1
115.03918	27.2
117.06980	2.0
121.06454	1.3
123.04395	4.2
127.03905	23.2
129.06993	4.0
131.08527	2.2
132.06563	2.2
133.04950	34.8
133.06425	7.1
143.03339	1.5
145.04948	31.6
145.06401	4.0
147.04391	1.2
150.07617	6.1
153.01823	1.3
157.05263	1.0
157.06474	5.0
159.08043	2.4
161.04407	2.9
163.06023	16.8
165.05492	1.1
171.08099	1.8
175.07545	2.9
177.05449	4.5
187.07561	2.2
193.04967	2.2
199.06029	1.3
205.08585	4.2
212.04079	1.2
217.08589	3.8
219.06473	3.3
223.06058	5.8
232.09615	1.2
235.09642	4.0
241.07065	9.3
250.10693	3.8
253.10696	5.1
259.05954	1.5
259.08173	10.3
271.11884	1.4
277.09210	2.5
295.10156	7.1
342.06766	1.1
345.31665	1.0
402.15302	7.2
420.16513	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	420.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92371	1.1
55.01859	5.0
55.05497	1.3
58.06582	1.7
58.99559	1.3
67.05483	1.8
68.99776	1.6
69.03408	3.5
69.60480	11.2
70.06582	8.0
72.08131	1.5
72.25764	1.4
74.06057	6.4
81.03406	3.2
81.07057	1.4
82.06568	2.6
83.04958	1.4
84.04488	4.0
84.08099	1.9
85.02910	7.2
86.06055	42.0
86.06579	2.2
86.09691	1.6
87.00793	2.0
91.05447	3.3
94.06543	7.9
95.04940	2.9
97.02879	4.5
99.04424	1.9
100.07593	10.5
105.01862	3.1
105.07038	1.4
107.04947	2.9
109.02869	2.5
109.06469	1.5
110.35857	1.2
112.07592	19.4
115.03900	1.9
119.04917	2.8
121.06454	6.1
123.04412	51.5
124.04762	1.4
127.03917	6.2
129.06886	1.3
130.08601	1.5
133.06366	1.4
135.04396	3.9
136.07535	1.7
137.05977	3.2
139.03896	3.6
141.05461	7.7
145.05003	2.6
145.06441	3.6
147.04385	17.5
149.05989	10.2
151.03880	11.5
153.05486	2.7
161.06004	4.2
163.03891	4.0
163.07536	5.9
165.05457	18.9
166.05783	1.8
167.07036	1.3
173.05983	6.8
175.03900	5.4
175.07491	2.5
177.05449	90.8
178.05823	2.7
179.07027	3.4
189.05481	5.1
189.20810	1.2
191.07021	14.8
193.05032	2.1
201.05426	8.5
203.07005	4.8
204.10132	2.2
205.47092	1.2
207.06558	2.3
208.09717	1.6
211.01236	1.3
216.97893	1.2
219.06500	58.5
220.06793	2.2
221.08131	2.7
222.11131	1.3
231.06506	3.5
232.09654	18.0
232.11749	1.4
233.10095	1.9
234.98927	3.8
240.15891	1.2
243.06522	2.2
244.09579	1.5
250.10721	95.1
251.11043	2.7
262.10733	2.6
268.11877	4.2
285.07663	2.3
289.03741	1.4
303.08615	3.7
311.05655	1.2
311.09152	4.3
320.92630	1.2
325.49939	1.2
327.08594	3.7
329.10016	6.1
335.04129	1.5
349.09460	1.4
353.10031	5.4
366.13303	1.7
371.11105	10.8
384.14365	17.4
398.99405	1.2
402.15430	100.0
403.15887	5.4
420.16473	59.5
420.22296	1.7
421.16949	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36996	1.1
53.03928	1.9
54.03176	1.2
55.01849	3.1
56.96553	6.5
57.03410	5.0
58.55165	1.0
58.99573	2.2
60.04514	7.6
60.13771	1.1
61.02898	3.5
64.85744	1.2
67.05482	1.8
69.03418	10.8
70.06560	5.5
71.04957	3.4
71.48052	2.6
72.08119	1.6
73.02885	4.0
73.67470	1.2
74.06046	1.6
76.02193	3.6
79.05467	2.0
80.04983	1.6
80.92517	1.1
81.03394	3.3
81.07023	2.3
83.04955	1.5
84.04496	10.8
84.08112	3.0
85.02894	22.6
86.06054	7.4
86.09650	1.4
87.04423	2.8
89.03899	3.7
90.05512	1.5
91.03969	1.6
91.05445	1.8
95.04913	3.7
96.08048	1.4
97.01078	3.6
97.02872	8.1
98.97578	9.2
99.02651	2.3
99.04411	2.5
100.02164	1.3
100.07568	2.1
106.05014	10.5
107.04913	1.7
107.28875	1.1
108.04440	2.2
108.08063	2.8
109.02843	3.0
110.97491	1.5
112.07578	4.0
113.06013	1.3
114.03702	4.9
115.03869	1.3
116.01616	5.3
116.05267	3.6
116.98602	6.9
117.03378	1.4
119.01842	4.6
121.02798	1.3
121.06441	1.5
123.04405	11.5
126.03687	2.3
127.02142	14.4
127.03877	10.0
128.05309	1.4
130.04958	2.4
130.08586	2.5
131.01794	2.0
132.92572	1.2
134.99626	3.3
135.04372	7.1
136.04729	1.3
136.07535	3.3
137.08295	4.2
138.93791	1.3
141.05450	1.3
142.06941	1.4
143.00052	1.5
143.01816	2.4
145.01755	1.7
145.02721	2.2
145.04909	7.1
146.02577	2.2
146.99635	2.7
147.04321	3.8
149.05864	1.4
151.03874	2.1
152.05240	2.1
153.03690	1.7
153.04901	1.3
153.07516	1.4
156.03256	1.7
158.99582	5.4
159.04924	5.3
161.01192	3.3
161.02879	3.0
162.02101	3.4
163.02538	1.6
163.03871	30.9
163.07411	1.6
164.04189	3.7
165.05402	2.9
169.03252	1.5
170.06319	24.1
170.99596	3.2
173.02980	2.9
174.04332	3.9
177.00681	4.4
177.03206	3.1
177.05412	16.9
179.04837	1.4
182.08127	1.3
185.02904	1.9
186.04318	5.6
187.04427	1.5
189.00688	3.3
191.03868	1.6
191.07034	1.7
197.03043	1.5
200.04227	1.5
201.00648	2.9
201.05525	1.6
203.03847	1.4
204.05353	5.5
207.01625	1.5
219.01776	7.6
219.06496	12.6
221.02919	1.4
228.05330	1.9
231.06573	1.3
231.53853	1.4
232.09549	3.2
233.05690	1.5
237.02759	7.2
240.07346	2.9
240.57341	1.5
244.06729	1.8
245.04912	2.9
249.08290	7.0
250.10678	17.2
255.07872	2.5
258.07175	4.7
259.05780	2.2
261.02682	2.7
263.05847	1.9
272.06323	3.4
273.06317	1.9
273.09000	30.5
274.08789	1.3
275.06104	2.4
279.03760	2.2
281.07019	2.3
291.03540	1.4
317.09482	2.0
321.08392	3.3
323.06204	1.8
323.09900	1.8
329.10150	1.7
330.10492	2.0
342.08279	1.6
353.10089	1.6
360.09296	2.4
371.11118	1.6
384.14319	4.2
402.15488	20.6
420.12393	100.0
421.05151	3.3
421.11200	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	419.2424
Annotation	CHEBI:69184
Peak:m/z	Relative Intensity
53.03950	0.9
55.01860	4.1
55.05500	1.5
57.07060	1.0
65.03919	1.6
67.05497	4.0
69.03411	1.6
69.07053	1.9
69.58418	4.2
69.58826	1.4
71.04984	3.6
71.08649	0.9
79.05470	3.6
81.03411	1.0
81.07045	7.5
83.01318	1.2
83.04963	0.9
83.08615	0.8
85.02881	1.9
85.06538	1.0
91.05463	4.5
93.07043	5.9
95.04940	2.2
95.08614	6.5
97.06498	1.0
98.21511	1.3
99.00803	0.9
99.08044	0.6
103.05446	2.6
105.07018	8.7
107.04935	2.2
107.08586	7.8
109.02877	0.9
109.06488	1.4
109.10127	4.7
111.04402	0.7
115.05383	0.8
117.07008	2.8
118.04163	0.7
119.04913	2.2
119.08569	4.6
121.06498	1.7
121.10143	4.6
122.10908	1.0
123.04409	2.0
123.08035	1.1
123.11705	1.9
125.09631	0.9
127.03909	0.9
128.06198	0.9
129.06992	1.6
131.04910	2.3
131.08612	3.2
133.06491	1.3
133.10117	3.9
135.08038	2.4
135.11678	5.6
137.02342	2.8
137.06013	1.0
137.09633	1.3
137.13226	0.9
139.03877	2.3
141.06952	1.3
143.08565	2.4
143.10643	1.7
144.05672	0.9
144.09322	0.8
145.06473	2.2
145.10135	1.6
147.04379	1.1
147.07997	1.8
147.11705	1.7
148.05193	0.8
149.05936	1.5
153.01831	2.1
153.05435	0.7
153.12772	0.7
157.06415	0.9
157.10158	1.9
159.08009	3.3
159.11671	3.7
161.05974	1.9
161.09628	2.4
161.13281	1.0
163.03891	1.0
163.07501	3.8
165.05562	0.8
165.06934	0.8
165.09105	1.5
167.07024	9.9
168.07385	1.3
169.07526	1.1
169.10095	1.1
171.08015	1.0
171.11673	1.4
173.05981	2.2
173.09676	0.9
175.07530	2.9
175.11115	1.2
177.05447	3.8
179.07109	1.0
179.10654	1.0
181.04929	8.4
181.08588	0.8
182.05286	1.2
183.11696	1.0
185.09608	1.7
187.07561	1.5
187.11110	3.8
189.08971	0.7
189.12727	0.8
191.03345	1.0
191.07048	7.3
191.10663	0.9
193.08659	0.9
197.12973	0.7
199.07472	1.1
199.11157	0.7
203.06984	1.0
203.10605	1.4
203.17929	2.2
205.08615	1.7
205.12326	0.9
207.06473	1.5
209.08031	8.2
215.10593	0.7
217.08665	1.0
219.10181	2.0
221.08026	1.3
221.18936	2.2
229.04959	0.7
231.02800	0.7
231.10182	2.5
233.11644	1.0
239.10646	0.9
241.12206	1.6
243.13715	0.8
247.09671	1.3
249.11150	4.5
257.04468	7.1
263.12753	3.7
267.17496	0.8
272.06461	1.9
273.07626	0.9
275.12854	1.0
281.13663	1.3
293.13806	1.6
294.88177	0.7
295.16812	3.0
296.17548	4.6
297.18066	1.1
307.09454	0.7
307.15329	1.4
309.18475	3.4
313.18005	1.5
314.18753	1.7
315.08618	2.4
315.19839	0.7
324.20880	1.6
327.19568	1.5
329.06500	2.4
330.11038	2.6
337.21774	0.8
339.23218	4.7
341.06625	1.3
345.16916	1.0
351.12131	1.1
357.24133	1.6
365.20947	1.2
371.15015	0.8
377.08389	0.7
383.14853	1.2
383.22086	9.9
384.22607	0.8
401.15851	1.7
401.23199	12.9
402.23502	0.9
417.77271	0.9
419.24243	100.0
420.24646	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2424
Annotation	CJ 13015
Peak:m/z	Relative Intensity
55.05500	1.1
57.07067	7.8
61.53759	0.6
67.05488	2.1
69.07061	23.7
69.19843	0.8
69.83478	4.5
69.83907	1.0
79.05469	1.5
81.07053	4.9
83.01300	0.7
83.04928	0.8
85.06534	2.4
91.05506	1.2
93.07056	1.1
95.04964	1.3
95.08620	0.6
104.11303	0.7
105.07020	1.7
107.08592	1.1
109.06503	8.6
119.08575	1.4
121.10136	1.5
123.07988	0.8
127.07571	1.1
129.89873	0.7
133.06465	1.0
135.07997	1.2
135.11691	0.9
137.05995	0.7
139.19659	0.7
145.10075	1.2
151.07513	1.8
153.05443	10.2
159.08092	0.7
159.11603	0.8
163.07471	1.0
165.05441	5.4
169.10103	1.2
175.07494	1.2
177.05402	0.9
177.09099	1.9
179.07014	6.4
187.07539	1.6
189.09061	1.4
191.06999	6.1
191.10625	1.4
197.09497	0.7
197.52592	0.8
201.09065	1.6
203.06998	13.1
204.07446	0.9
205.08492	4.7
206.09335	2.6
207.10139	4.4
215.10582	3.2
217.08473	0.8
219.06532	2.2
219.10088	8.4
225.09000	0.8
225.11188	1.6
227.10619	1.1
228.07741	0.9
229.12263	2.3
231.10155	1.7
233.07922	0.8
233.11687	3.1
237.11217	2.1
239.10733	0.8
243.10149	9.1
249.11137	3.4
251.12852	1.4
255.13844	0.8
257.11691	20.0
258.12039	1.3
259.09723	2.1
259.13287	2.4
261.11194	100.0
262.11414	3.2
268.10834	0.9
275.12732	14.0
279.12231	19.4
287.16376	0.8
297.14832	8.2
315.15866	35.8
316.16302	1.5
317.17459	5.5
333.16934	62.2
334.17416	3.3
345.16888	8.6
349.16248	0.8
351.17984	26.7
352.18021	1.1
363.18039	5.3
364.18387	0.7
401.22958	1.0
419.24182	2.3
419.39142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66908	1.0
53.03932	1.9
55.01858	4.7
55.05497	3.2
57.07067	2.8
60.49449	1.2
67.05505	7.7
69.03424	2.4
69.07060	5.6
71.04987	9.8
71.08642	1.4
71.29752	1.5
71.30080	1.7
74.77520	1.2
79.05478	11.7
81.03426	1.6
81.07050	16.5
82.30223	1.2
83.04951	1.6
83.08639	1.3
85.06535	2.8
91.05468	11.0
93.07037	15.9
95.04964	4.5
95.08609	11.6
99.08094	2.0
103.05446	2.0
103.18132	1.1
105.03382	1.3
105.07030	22.7
107.04977	2.4
107.08586	15.3
109.06498	8.7
109.10151	3.9
115.05411	2.6
117.07024	4.3
119.04929	8.7
119.08571	12.6
121.06512	4.8
121.10130	100.0
122.10455	1.5
123.04407	1.8
123.08041	7.7
123.11710	11.4
125.05909	1.2
125.09562	1.5
127.07549	2.9
128.06218	1.5
129.06981	5.6
131.08540	5.5
133.06497	1.5
133.10132	6.7
135.08060	3.9
135.11690	11.5
137.02350	1.6
137.06006	4.9
137.09592	3.2
139.03896	2.9
141.06947	1.6
142.07796	1.6
143.08554	3.3
145.06421	1.7
145.10107	5.8
147.08040	3.6
147.11659	3.0
149.09589	2.4
151.07489	2.2
153.07106	1.5
155.08588	3.2
156.09421	1.7
157.10144	4.1
159.08038	2.8
159.11691	6.3
161.09679	1.8
163.07607	3.1
165.07039	1.3
167.08530	1.4
169.10182	4.0
171.08073	3.3
171.11664	10.0
173.05972	1.9
173.09618	4.1
173.13356	1.3
175.07542	3.6
175.11151	3.5
177.12709	1.7
181.10139	3.1
183.07945	1.3
183.11681	5.2
185.09561	9.7
185.13275	2.2
187.07520	1.4
187.11163	4.0
189.09201	1.9
189.12680	1.4
191.06995	10.2
191.10721	1.6
193.08588	7.0
193.10150	2.3
193.12297	1.2
194.10820	1.8
195.11691	2.7
197.13199	2.7
199.07434	1.6
199.11212	1.6
201.12701	1.6
203.10649	3.2
207.11725	2.9
209.08043	8.2
210.10423	1.7
211.07646	1.8
211.09596	3.4
211.11220	3.1
211.14851	1.4
223.11214	1.8
223.14914	1.9
225.12753	7.1
227.10689	8.2
229.12265	2.3
239.10667	1.8
239.17915	15.9
239.20088	1.8
241.12216	6.4
243.13957	2.4
249.16283	3.4
252.14963	1.8
253.12239	2.1
253.15761	2.0
257.18939	3.9
259.13080	1.4
267.17419	15.1
271.16925	1.6
277.15820	3.6
279.13843	1.4
285.18436	4.0
295.16916	27.7
296.17206	2.0
297.14774	6.0
312.46695	1.2
313.17932	61.4
314.18179	5.9
327.19370	1.8
331.19006	40.0
332.19324	2.6
349.19943	1.6
355.22275	1.5
365.17319	1.9
365.21368	2.0
383.22260	9.5
384.22903	1.4
401.18900	1.5
401.23334	12.4
419.24164	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	419.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86469	1.0
53.03936	2.2
53.05836	1.0
54.67543	0.9
55.01863	5.4
55.05496	2.4
57.03434	6.5
59.04992	1.5
60.04494	1.0
61.02910	9.7
65.03908	1.1
67.05482	7.1
67.73647	0.9
68.99785	1.5
69.03426	20.5
69.07060	6.5
70.06572	1.3
70.16685	6.6
71.04967	4.0
71.17365	1.1
72.08115	1.3
73.02901	3.5
74.06070	1.5
77.32846	1.1
79.05471	3.8
81.03407	10.1
81.07044	11.1
83.04963	2.3
84.08125	2.2
85.02890	47.0
85.06521	3.3
85.07658	1.4
86.06052	4.4
86.09682	4.0
87.04461	4.6
91.03935	1.7
91.05466	10.4
92.05795	3.0
93.07034	8.1
95.04942	3.0
95.08587	24.9
95.93687	1.2
97.02879	16.3
97.06512	3.2
98.21377	1.5
99.04428	3.5
101.05973	1.5
105.07009	16.0
107.04949	2.3
107.08591	4.0
109.02849	4.5
109.06496	2.7
109.10138	3.9
111.04429	3.4
113.05949	1.1
117.07008	1.2
119.04911	1.7
119.08542	3.4
121.02832	3.3
121.06493	2.6
121.10107	3.9
123.04403	18.8
123.07155	1.8
123.08041	22.0
125.09586	1.7
127.03898	10.9
127.04822	2.0
129.09094	7.0
131.08543	2.7
133.06458	21.0
133.10150	5.4
135.04381	3.3
135.07988	2.6
137.02325	6.1
137.05960	45.6
137.09584	11.0
139.03880	4.5
139.11186	6.1
141.05475	1.5
141.09041	1.6
143.08557	3.2
145.04926	7.4
145.10141	1.4
147.04449	5.8
149.02388	1.3
149.05989	1.7
149.09564	1.9
151.03885	2.3
151.11153	2.2
153.01772	6.9
153.05444	1.3
159.07990	1.3
161.05908	1.2
161.09579	12.5
161.62994	1.2
162.73470	1.1
163.03870	3.1
163.07542	3.0
163.11163	1.7
165.01834	3.6
165.05394	5.3
165.09093	16.1
167.10675	4.8
171.02921	1.5
175.03917	2.6
175.07500	2.1
175.11212	2.0
177.05432	9.4
179.03479	1.5
179.07057	1.6
179.09212	1.6
179.10654	16.1
181.08574	2.1
183.02869	1.2
183.10143	16.7
189.05573	1.7
191.03497	2.0
191.06989	1.2
191.10631	4.4
193.12209	1.4
197.11707	7.0
203.03372	5.4
203.10645	2.2
209.11661	2.6
211.96631	1.3
217.08430	1.5
219.06525	4.6
221.11697	7.1
231.02859	3.1
232.09731	2.1
239.12772	22.7
239.16422	2.8
249.03918	1.8
250.10800	8.3
257.13809	100.0
258.14209	3.0
275.05426	3.7
296.53723	1.2
299.05450	1.3
302.25943	1.3
317.08490	4.7
329.06668	1.6
341.06424	10.3
359.07553	2.3
402.10553	1.2
402.15323	7.7
419.14560	13.1
420.16336	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	419.1697
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
51.88840	2.5
53.03934	3.2
55.01857	11.4
55.05510	2.6
57.03433	5.5
58.71725	2.4
67.05492	6.7
68.99765	3.4
69.03412	4.1
71.04990	3.4
71.77780	4.0
73.02909	4.6
79.05479	11.7
81.03404	3.2
81.07037	6.1
83.04962	3.9
85.02895	8.6
91.05476	12.5
93.03397	2.8
93.07012	2.6
95.04949	10.1
95.08596	4.2
97.02865	3.3
97.06528	3.7
105.07052	7.6
107.04951	21.3
107.08543	3.4
109.10154	4.2
111.04424	6.6
115.05432	5.5
117.06950	3.5
121.06492	5.4
123.04430	21.8
124.05175	3.7
125.05990	5.5
127.03885	3.9
128.06230	3.7
129.06967	13.0
130.07809	2.7
131.04913	6.0
131.08553	13.1
133.06483	5.5
135.04433	3.5
137.05962	5.1
137.09697	2.5
139.03876	65.1
139.04861	4.6
140.04578	3.2
141.06978	3.9
143.78542	2.8
144.05711	11.2
145.06445	9.2
149.05977	4.7
151.03836	3.9
153.06920	2.6
156.05650	5.9
157.06508	5.5
159.08038	23.7
161.05965	10.3
161.09581	4.4
163.03897	53.3
163.07614	3.0
167.03384	3.3
167.07019	89.4
168.07352	8.2
169.07544	3.8
170.07317	6.1
171.06522	3.7
171.08008	6.4
173.05974	9.9
174.06720	3.2
175.07564	7.0
177.05476	7.4
181.04958	16.2
182.05421	3.7
183.06525	25.9
187.07544	21.4
189.09074	8.8
190.06213	4.0
191.07013	10.9
191.10529	2.6
193.08557	6.1
198.06670	2.7
199.07555	3.2
203.07024	5.0
204.07816	9.2
205.08598	13.5
208.05072	5.3
209.08040	15.2
216.07655	3.6
217.08611	18.9
219.08034	9.2
219.10201	14.0
221.08119	6.8
231.08093	4.4
231.10181	10.3
233.05949	3.2
235.07451	4.3
236.04572	3.5
247.07475	8.4
247.09628	6.3
248.08376	3.8
249.11211	100.0
250.11655	4.5
254.05652	3.2
257.17520	4.5
263.06955	5.6
264.07703	6.0
267.06424	3.4
269.08099	6.9
276.07779	3.8
277.08652	6.0
279.10065	7.8
287.05478	31.3
291.10269	4.5
292.07343	3.3
297.25497	2.5
299.08945	3.3
307.09683	8.7
315.08566	30.1
323.12726	4.2
325.10834	5.4
330.10941	39.8
331.11130	3.6
337.10394	5.5
339.12292	5.4
341.13867	3.1
343.11694	7.2
351.12283	6.6
355.11447	3.2
369.13260	25.0
371.14801	4.6
383.15030	10.0
387.14038	3.4
389.15543	9.5
401.15964	54.2
419.16553	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.1
55.01869	14.9
55.52163	3.6
56.59026	2.9
57.03415	8.4
61.02901	8.4
65.03933	6.4
65.50374	2.7
68.99779	9.0
69.03417	39.7
69.93040	14.3
71.04987	6.0
72.08155	5.8
73.02908	10.9
79.05488	5.9
81.03404	37.9
83.01334	3.6
83.04984	4.5
84.04487	8.5
85.02892	100.0
86.09666	4.8
87.00811	37.5
91.05419	4.2
95.04947	5.0
97.02880	45.9
99.04446	16.1
103.03921	3.9
105.01843	30.9
107.04946	24.6
109.02856	35.9
111.04446	19.9
112.42210	3.7
113.03082	3.2
116.01629	3.0
117.01848	7.4
121.02847	3.9
123.04412	13.0
127.02053	5.0
127.03890	62.9
129.01840	6.2
130.04990	3.5
131.04993	4.1
133.02858	3.4
134.49557	3.3
135.04390	9.3
139.03871	49.0
145.04924	29.8
145.06039	3.5
147.02907	9.3
147.04385	5.9
149.02327	5.4
151.03931	3.4
159.02872	25.6
163.03870	39.9
169.03015	3.3
170.06378	11.2
171.06514	51.3
177.05452	8.2
181.04929	21.1
181.08580	3.5
189.03951	4.0
195.06517	45.2
207.06505	7.6
209.08138	3.5
213.07545	27.9
219.06488	4.6
222.05255	7.2
231.04958	8.1
233.08029	5.3
237.07596	21.7
240.15254	5.7
261.07712	14.8
273.09064	10.9
279.08594	31.3
281.38260	3.2
329.06171	3.9
341.06500	4.0
370.74878	3.4
402.15298	4.2
419.07748	5.8
419.14978	6.0
428.92874	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43071	0.3
56.96541	0.4
57.46778	0.4
59.29155	0.4
69.45823	0.3
69.48676	4.1
73.06553	1.2
79.05459	0.7
85.02912	0.6
91.05481	0.9
93.07030	0.8
95.01409	0.3
98.20767	0.8
103.05454	6.0
104.75670	0.4
107.04945	1.2
120.08086	100.0
121.08393	2.0
131.04909	2.3
138.07924	0.4
141.37546	0.4
149.05972	2.5
163.03903	1.0
166.08614	58.5
167.08926	1.3
252.58595	0.5
370.72879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01856	0.6
57.03420	0.8
61.02918	1.7
65.03952	0.3
68.77607	0.2
68.99786	0.6
69.03409	0.9
69.07040	0.3
70.44576	1.4
71.01346	0.6
73.02910	14.8
79.05466	0.4
85.02894	0.9
91.05479	0.3
95.04958	0.3
98.20753	0.5
103.05467	0.3
105.03369	0.7
105.07023	0.5
107.04948	0.8
109.02859	0.4
111.00791	0.6
111.04484	0.5
113.55061	0.3
115.03924	1.2
121.02856	2.3
121.03632	0.4
123.04391	1.0
127.03905	0.4
129.06938	0.3
131.08566	0.4
133.02951	0.4
137.02325	0.9
139.03848	1.7
141.06879	0.3
145.06480	0.4
147.04388	0.6
150.02817	0.3
150.50514	0.3
151.03841	0.4
153.01797	3.1
159.08066	0.4
161.06012	0.7
163.03879	1.2
165.01804	1.9
167.07039	1.3
177.05470	0.4
181.04948	0.4
183.02869	0.7
183.06487	0.3
191.06915	0.4
193.08490	0.4
209.08018	0.6
213.05458	1.3
217.08531	0.4
219.10139	0.5
231.06464	0.6
238.09271	0.3
241.04916	0.4
249.11224	2.0
257.04523	0.3
258.05264	1.0
259.05826	0.6
268.07074	0.8
269.07217	1.4
270.07889	0.3
287.05466	100.0
288.05811	3.9
297.07556	0.3
298.07785	0.6
299.08063	1.4
315.08450	0.4
323.08231	0.4
330.10898	0.5
341.06653	0.6
353.09213	0.4
369.13226	0.6
383.10440	0.5
401.11002	1.0
401.16058	1.2
419.12180	1.8
419.24435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70856	0.9
55.01853	1.6
57.03428	1.0
60.59873	1.0
61.02905	1.2
68.99773	2.1
69.03404	2.2
69.54183	9.3
71.04969	1.3
72.31421	1.0
81.03398	1.2
81.07024	1.0
83.04971	1.2
85.02895	10.7
91.05473	19.4
93.07035	4.2
97.02854	2.5
97.06503	1.0
105.03374	0.9
105.07032	1.9
107.04974	4.5
107.08564	1.7
109.02886	1.7
109.10181	1.8
111.04457	1.1
115.03911	1.0
118.06504	1.1
119.08557	1.4
123.04420	8.9
123.08073	2.6
127.03883	3.4
128.07059	2.4
135.04385	1.4
137.02306	4.2
137.05956	1.5
139.03880	1.9
139.40384	0.9
144.00700	0.9
145.04959	1.9
147.04388	2.1
147.08008	2.2
149.02275	1.4
149.05949	2.2
149.09567	3.0
151.03889	3.5
157.06441	1.0
159.08025	1.0
160.26920	1.1
162.06712	1.6
163.03896	2.5
165.01897	4.5
167.07036	2.9
175.07536	6.9
175.11259	1.2
177.05490	2.1
177.09097	55.6
178.09523	1.5
179.03378	78.4
180.03743	2.6
183.02899	1.2
185.05939	2.6
189.05428	2.1
193.08582	11.1
195.10175	1.4
201.05518	0.9
202.74452	1.0
203.03395	1.5
203.07053	2.3
216.79941	0.9
220.09772	1.8
221.08073	100.0
221.11684	6.6
222.08417	4.8
229.05092	1.1
231.02910	2.1
231.06468	3.1
239.09117	35.9
240.09473	1.2
249.07600	1.3
256.06366	3.1
266.10214	14.2
267.10510	1.7
275.05502	1.2
341.06543	8.3
400.14099	1.5
418.14853	2.2
432.79108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.2
55.05239	2.0
55.05502	33.0
57.03169	1.5
57.03431	23.9
57.07069	21.3
59.04989	1.9
67.05495	44.8
69.03429	1.1
69.07057	52.4
70.14657	3.2
70.15071	1.6
71.04977	3.4
71.08623	12.3
73.06547	2.1
75.04475	5.4
78.23457	0.9
79.05483	19.8
81.07045	54.9
82.07371	1.0
83.04968	4.5
83.08103	2.0
83.08607	39.2
85.06528	2.8
85.10160	4.8
91.05460	5.3
93.07034	30.4
95.08593	48.1
96.08944	1.6
97.06518	14.3
97.10156	21.8
98.21410	1.3
99.08093	1.9
101.06007	1.9
105.07032	4.5
107.08581	21.7
109.06473	1.3
109.10141	27.7
111.08058	9.6
111.11696	5.7
113.06011	2.3
113.09590	1.0
115.07582	3.0
119.08573	3.1
121.10131	28.5
123.08067	1.4
123.11681	14.7
125.09583	6.4
125.13293	1.3
129.09111	2.0
131.07033	3.5
131.08534	2.0
133.10124	8.9
135.11674	25.4
137.09604	1.7
137.13203	3.1
139.11131	7.7
139.14796	1.0
143.10670	1.7
145.10083	1.7
147.11743	2.3
149.13252	16.3
151.11159	3.0
151.14799	1.1
153.12740	6.2
157.12210	2.8
159.11658	1.1
159.92883	0.8
163.14790	4.9
166.25900	0.9
167.14296	4.4
171.13812	1.2
181.12451	0.9
181.15862	2.3
185.15433	2.2
205.19485	15.7
215.17892	4.6
223.20532	18.4
232.58508	1.0
233.19031	2.9
241.21584	2.2
251.20033	7.9
269.21124	3.7
287.22128	100.0
288.22421	5.1
325.23679	37.4
326.24023	2.0
343.24762	47.9
344.25040	2.3
399.27365	21.0
400.27823	1.4
417.28421	49.5
418.28964	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	417.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54784	2.2
51.25885	1.9
55.01848	3.6
55.05256	2.0
55.05504	34.3
57.03435	23.5
57.06817	2.1
57.07072	27.2
62.85894	1.8
65.03935	1.9
67.05154	2.8
67.05495	41.2
69.03417	2.8
69.06702	3.3
69.07062	50.8
71.03918	6.0
71.04975	5.9
71.08608	9.7
73.06535	3.1
75.04468	5.0
79.05489	17.9
81.07048	56.1
83.04948	4.8
83.08611	36.1
85.06526	4.4
85.10142	4.4
86.09676	3.1
90.40835	1.9
91.05441	10.8
93.07031	31.2
95.04948	5.8
95.08596	54.8
97.06510	14.6
97.10158	22.9
99.08045	3.3
101.06016	2.0
101.52872	2.0
105.07026	9.2
107.04964	2.4
107.08591	22.1
109.06487	3.1
109.10138	27.2
111.08046	11.4
111.11720	4.7
113.05955	2.5
115.07563	3.3
117.07014	2.0
119.08555	14.0
121.06445	2.2
121.10133	29.9
123.08015	3.0
123.11666	10.8
125.09621	14.1
128.06195	2.2
129.06903	2.0
131.06987	5.1
131.08528	4.8
133.06470	2.7
133.10146	11.0
135.08067	2.4
135.11693	25.8
137.09622	3.6
139.11142	8.5
145.06358	2.2
145.10092	6.2
147.08006	2.9
147.11655	5.8
149.09610	4.2
149.13245	15.5
151.03877	3.0
151.11205	2.8
153.12727	6.4
157.10066	3.4
157.12268	2.1
159.11641	4.4
161.09619	2.5
163.11186	2.1
163.14841	4.4
167.07022	5.3
167.14281	4.5
171.13678	2.8
173.09584	5.1
175.07745	2.3
185.09602	2.0
187.11240	2.7
189.09085	2.5
191.07063	2.2
197.13310	2.4
205.19533	14.7
211.11130	3.7
215.18042	3.0
223.20502	17.9
233.18898	2.9
241.15907	3.1
243.28415	2.1
251.14378	1.9
251.20056	7.8
259.16870	3.5
262.21271	2.1
267.09033	1.9
269.15289	5.4
269.21149	3.0
271.16928	2.3
287.22147	100.0
288.22348	2.6
315.15491	2.7
325.23779	34.7
343.24799	39.2
353.21228	2.6
381.20297	2.9
399.10196	3.1
399.27408	20.9
417.22748	1.9
417.28479	56.4
418.29022	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	417.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05508	1.7
57.03422	0.2
57.07073	0.4
59.04991	1.2
67.05494	2.7
68.99811	0.2
69.03423	0.6
69.07059	12.0
70.27461	0.7
71.04990	1.0
72.31198	0.2
77.03960	0.2
79.05470	1.9
81.07043	5.0
83.01348	0.3
83.04984	0.3
83.08607	1.1
91.05463	2.9
93.07026	4.5
93.07568	0.3
95.04964	0.8
95.08598	3.7
97.06518	1.2
97.10137	0.3
103.05487	0.2
105.07011	2.5
107.01311	0.4
107.04926	0.8
107.08578	4.5
109.02899	0.7
109.06496	1.2
109.10143	4.4
111.04464	0.2
111.08021	0.3
111.11729	0.5
113.05972	0.5
115.05457	0.6
117.07009	1.9
119.04880	0.3
119.08562	2.9
121.06483	7.0
121.10134	1.0
122.06844	0.3
123.04442	0.5
123.08096	0.3
123.11687	9.3
124.12060	0.3
125.05988	0.2
127.03883	1.1
128.06255	0.4
129.06985	1.8
129.15372	0.2
130.45657	0.1
131.04944	0.5
131.08569	0.5
133.06464	3.2
133.10101	1.2
135.04414	0.5
135.08035	10.4
135.11673	5.6
137.02365	0.2
137.05994	0.3
139.03889	0.8
141.07008	0.3
141.12752	0.3
143.08536	0.4
144.05721	0.2
145.06432	0.7
145.10106	0.4
147.04463	0.2
147.08026	6.6
147.11650	0.5
148.05130	0.2
148.08395	0.2
149.05946	2.4
149.09593	0.2
149.13205	0.3
151.02646	0.3
151.03876	5.8
151.07527	0.4
151.11157	0.2
153.05443	2.4
153.12755	1.3
155.08521	0.2
157.05173	0.2
157.06454	3.3
157.10075	0.2
158.07245	0.2
159.08052	0.9
160.05219	0.3
161.05956	11.4
161.09576	0.4
162.06439	0.4
163.03867	1.5
163.07533	3.0
165.05438	0.5
165.06807	0.2
165.09207	0.2
169.10078	0.3
171.07985	0.3
171.11681	0.3
173.05974	0.8
173.09604	0.4
175.03966	0.5
175.07521	16.0
176.07857	0.5
177.05455	1.7
177.09065	0.5
179.03394	0.3
179.07051	0.4
185.05946	2.2
187.07524	0.7
187.11134	0.4
188.04666	0.4
189.05396	0.6
189.09077	0.8
189.12843	0.3
191.07010	9.7
192.07304	0.2
193.08618	0.9
195.06497	1.5
199.07533	0.4
199.11192	0.2
201.09029	0.5
201.12621	0.3
203.06998	75.3
204.07353	2.9
205.08572	6.0
206.08986	0.2
207.10132	0.6
209.08052	10.6
210.08328	0.3
211.11221	0.3
213.09041	0.5
213.12602	0.4
215.07025	1.0
215.10628	0.6
217.08572	2.8
219.09999	0.3
221.08054	43.5
222.08386	1.5
223.09599	6.1
224.10054	0.2
227.07103	0.4
227.10637	1.3
228.07712	0.2
229.08582	1.0
229.12192	0.7
231.06427	0.3
231.10088	0.9
231.13814	0.3
233.08131	0.8
233.11588	0.2
235.09625	1.6
241.08595	1.3
241.12177	0.7
242.09308	0.5
243.10127	1.3
245.11580	1.5
247.09586	0.7
249.07500	0.3
249.11084	0.3
251.08855	0.3
255.13742	0.3
257.11670	1.8
259.09531	0.4
259.13306	1.6
261.11179	1.6
261.13730	0.2
261.14722	0.2
263.12744	1.5
269.11755	2.0
273.11212	0.6
273.14777	2.6
275.12756	2.3
276.13062	0.3
277.14319	12.1
278.14676	0.5
279.12238	0.3
282.12354	0.2
283.13144	0.7
287.12738	1.4
291.12265	0.7
291.15799	6.3
292.16107	0.4
297.18347	0.3
303.15839	0.3
307.16754	0.7
325.14355	0.3
325.17944	4.2
326.18259	0.2
329.21124	0.5
331.18970	3.2
343.18988	21.5
344.19406	1.4
349.20081	2.4
361.20026	100.0
362.20349	6.1
373.14539	0.2
387.15756	0.6
388.16592	0.2
389.17850	0.3
399.25333	1.5
401.17487	0.4
402.18481	0.3
417.16028	3.5
417.20758	2.4
417.26025	12.3
418.17096	0.7
418.21051	0.8
418.26511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20806	0.6
55.05489	0.9
57.07032	0.8
66.84364	0.6
67.05480	2.4
69.07061	14.6
70.26287	3.9
79.05486	1.9
81.07037	2.5
83.01331	2.9
91.05466	2.9
93.07028	8.3
95.04948	1.1
95.08583	3.1
96.86375	0.7
100.24196	0.6
105.07027	2.4
107.04940	0.9
107.06918	0.8
107.08582	10.8
109.06507	0.9
109.10117	2.1
119.08553	2.9
121.06482	3.2
121.10114	1.4
123.11707	7.9
131.47165	0.6
133.06436	1.0
133.10103	0.9
135.08023	5.6
135.11670	11.9
136.12070	0.9
137.05978	0.8
137.09558	0.8
145.06435	1.1
147.08034	1.2
149.05989	2.7
153.05452	2.4
161.05978	3.4
163.07530	6.9
165.05440	14.4
165.09113	0.9
167.03505	0.7
167.07147	0.7
168.03671	1.5
173.09526	0.7
175.07550	4.4
177.05461	1.0
179.06958	1.0
185.06006	1.6
189.05247	0.8
191.07007	52.8
192.07320	1.3
195.06645	0.7
197.08070	4.4
203.06992	24.5
204.07376	0.9
205.08594	1.5
207.06487	1.5
208.06793	1.6
209.08064	100.0
210.08435	2.4
221.08063	17.5
221.11700	2.8
223.09677	1.1
225.07600	1.5
226.07848	2.0
227.08154	1.6
259.13345	2.7
265.14288	5.4
277.14325	24.4
278.14667	0.8
287.13199	1.1
287.16324	13.3
288.25458	0.7
291.14899	1.3
305.06860	0.8
305.17676	0.9
329.17343	1.6
331.18997	29.9
332.19312	1.5
343.18985	10.8
343.22678	1.4
344.19452	0.9
349.19125	1.2
361.20114	4.9
399.25107	2.7
417.25211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2633
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
53.03926	0.9
54.85442	0.6
55.01859	0.8
55.05502	5.0
57.07056	3.0
65.59328	0.6
67.05144	1.0
67.05495	20.3
68.64693	0.5
69.03407	1.3
69.07058	5.5
71.01331	1.3
71.04987	6.3
71.80168	0.8
71.80557	0.7
72.46323	0.6
79.00356	0.6
79.05484	5.9
81.07044	11.0
83.04980	5.3
83.08611	4.6
85.06513	1.1
91.05466	9.3
93.07030	15.5
95.04951	5.3
95.08591	29.8
96.08965	0.8
97.06522	1.5
104.45918	0.8
105.03346	0.7
105.06336	1.0
105.07016	12.9
107.04929	0.9
107.08581	11.5
109.06499	4.7
109.10140	28.7
110.10504	0.8
111.04497	0.7
111.08089	1.4
113.05992	8.5
117.06985	3.5
117.68450	0.7
119.08566	37.9
120.08920	1.3
121.06516	4.3
121.10120	13.2
123.04403	1.6
123.08054	4.7
123.11707	1.9
125.09627	1.5
129.07004	1.2
130.07774	1.2
131.08565	5.1
133.06494	1.5
133.10104	7.1
135.08049	6.0
135.11642	3.5
137.05952	2.2
137.09608	9.4
141.05434	2.4
143.08522	4.3
144.09367	0.9
145.06488	1.1
145.10110	9.7
147.08061	2.1
147.11664	24.5
149.05992	2.5
149.09595	7.1
149.13257	0.8
151.07599	0.8
151.11160	1.1
155.08536	2.1
156.09320	0.8
157.10115	6.5
159.08037	2.7
159.11658	4.8
161.09583	6.1
161.13272	2.0
163.07481	1.3
163.11189	6.2
165.09079	1.4
167.08554	0.7
169.10106	3.5
170.10870	0.9
171.08038	1.9
171.11636	3.6
172.08792	0.8
173.09605	9.4
173.13219	1.6
174.10069	0.7
175.07532	2.1
175.11169	4.2
175.14749	1.0
177.03720	0.7
177.09105	1.8
177.12675	1.0
179.10562	1.3
180.09383	0.8
181.04848	0.7
181.10092	1.0
183.11655	2.4
185.09602	2.6
185.13243	2.7
187.11168	4.9
187.14870	1.8
189.09088	4.6
189.12738	1.3
191.10625	3.7
193.10095	1.7
195.10056	0.7
195.11725	2.9
196.12433	0.8
197.09621	1.2
197.13278	3.1
199.11237	1.9
199.14818	3.8
201.09091	2.9
201.12793	1.6
203.10580	1.7
203.14285	0.9
205.12202	2.5
206.10890	0.7
207.10130	2.2
207.13678	1.4
209.13312	3.6
211.11092	1.8
211.14786	1.2
213.08916	0.9
213.12726	2.7
213.16295	0.8
215.10661	1.4
215.14189	1.7
217.12236	1.4
217.15906	0.8
219.10007	0.9
223.11235	1.1
223.14832	1.6
225.12770	2.3
225.16307	0.8
227.10622	1.3
227.14259	3.7
229.12158	2.1
229.15851	1.5
231.13905	1.3
233.15428	0.8
235.13086	1.2
237.16599	0.7
239.14337	1.7
241.12209	1.4
241.15895	0.8
241.19594	2.6
243.13802	3.9
243.17442	0.9
245.15454	2.0
247.16910	1.3
249.16360	1.0
251.14449	0.9
251.17943	2.2
253.15860	1.5
255.13736	2.2
255.17461	0.9
257.15369	2.2
259.16962	1.1
259.20490	1.2
261.14923	1.3
265.12338	0.7
265.19562	1.0
267.17493	2.4
269.18976	6.9
269.21750	0.9
271.16949	0.9
273.14774	0.8
275.16418	1.9
277.18088	1.6
279.13977	0.9
279.17310	1.3
283.17120	0.8
283.20575	2.6
285.15125	1.5
285.18323	1.3
287.20023	10.4
293.19028	3.6
295.16925	2.1
297.18506	2.7
301.21460	1.1
307.17001	2.0
311.16693	0.8
311.20090	11.2
312.20221	1.1
313.17905	2.5
321.22086	1.6
325.18002	2.7
329.21060	43.3
330.17871	1.2
330.21512	2.6
331.18478	1.0
335.23514	1.2
339.19464	1.1
339.23141	3.3
345.22150	1.0
353.24704	6.7
357.24158	7.1
363.23206	6.2
371.25766	2.2
381.24191	33.6
382.24570	3.1
387.19080	0.9
394.11545	0.7
399.25266	100.0
400.25623	8.5
417.26166	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	417.263
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
52.43032	1.3
53.03935	2.6
55.01867	1.7
55.05506	15.9
57.03431	4.4
57.07061	9.6
67.05494	36.1
69.03412	1.9
69.07059	19.4
71.04989	8.1
71.08640	3.2
79.05483	13.5
81.03402	2.0
81.07040	25.8
83.04984	8.6
83.08607	11.4
85.02882	1.7
85.06539	2.4
86.09714	2.0
91.05460	15.0
93.07034	25.6
95.04966	7.3
95.08595	46.5
97.06524	5.3
97.10163	6.1
105.07009	17.6
107.04948	1.4
107.08575	16.1
109.06530	7.3
109.10141	43.2
109.10883	2.8
111.08072	4.2
113.05988	9.1
117.07009	5.2
119.08567	47.9
121.06487	6.0
121.10141	23.5
123.04403	3.2
123.08055	9.9
123.11686	4.1
125.09673	2.4
129.06978	3.0
131.08559	8.0
133.10086	11.8
135.08025	8.3
135.11678	9.5
137.05980	2.2
137.09604	14.3
139.03975	1.5
139.11195	2.5
141.05440	2.7
143.08583	4.9
145.10098	15.1
147.08080	3.0
147.11681	29.6
149.09587	8.9
149.13287	2.1
151.07587	2.4
151.11176	2.5
153.12741	2.2
155.08536	1.8
156.09407	1.8
157.10083	8.9
159.08035	4.5
159.11707	5.9
161.09642	7.6
161.13252	3.6
163.07533	3.3
163.11246	7.1
165.09138	2.7
167.07045	3.2
169.10155	2.2
171.08072	1.8
171.11652	3.5
173.09581	9.1
173.13286	4.0
175.07523	2.1
175.11159	6.8
177.09108	3.2
181.10191	2.3
183.11722	2.8
185.09608	3.4
185.13242	4.2
187.11191	4.2
189.09116	3.9
189.12764	1.8
191.10645	4.3
193.10069	1.8
195.11649	3.0
199.11168	1.8
199.14830	3.3
201.09138	2.7
201.12842	2.0
203.10672	3.4
203.14380	2.3
205.12215	2.6
205.19484	3.6
207.10008	3.5
207.11739	3.3
209.13303	3.1
211.14911	1.8
213.12724	3.5
215.10739	2.5
215.17772	1.5
219.10020	2.1
219.13843	1.6
221.13278	2.1
223.11143	1.9
223.20534	3.7
225.12573	1.8
227.14265	4.1
229.12148	2.6
237.12746	3.3
241.19443	2.2
241.44827	1.6
243.13867	2.9
245.15346	3.5
249.16351	1.9
251.17917	2.4
253.15910	2.2
255.13727	2.0
257.15414	3.2
259.16986	1.9
265.19482	2.8
267.17413	4.8
269.15445	2.5
269.18988	8.2
281.18988	1.9
283.20599	2.6
287.19894	5.0
287.22528	15.8
293.18915	6.2
297.15137	1.8
297.18375	2.5
307.17017	2.2
311.20004	13.7
313.18253	3.2
315.15875	3.6
318.04330	2.5
325.17935	4.8
325.23648	4.9
329.21066	48.8
329.24994	2.6
330.21332	2.4
335.23639	1.8
339.23181	4.8
343.24960	7.5
353.24567	6.9
357.24173	9.5
363.23264	7.9
381.20239	1.8
381.24240	33.6
399.25293	100.0
400.25525	6.2
417.10989	2.3
417.22693	5.9
417.28152	11.9
418.12903	1.9
418.22708	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2629
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
50.30909	0.8
55.05502	4.6
57.07059	3.3
65.03925	1.4
67.05499	19.5
69.03396	1.4
69.07059	4.6
71.01321	1.0
71.04978	5.7
71.11029	0.9
79.05478	6.5
81.07040	10.7
83.04965	4.9
83.08603	3.3
85.02887	0.9
85.06539	2.5
87.02075	0.9
91.05471	8.1
93.07037	15.1
95.04951	4.6
95.08589	33.9
97.06503	1.1
97.10169	1.0
97.77341	0.9
98.21399	1.9
103.05460	1.5
105.07013	13.8
107.04911	1.2
107.08573	12.4
109.06498	3.3
109.10145	30.0
111.08038	1.7
113.05984	8.1
113.09673	0.9
115.05426	0.8
117.07010	3.5
119.08565	46.4
120.08870	4.9
121.06497	3.6
121.10141	10.5
123.04435	1.7
123.08052	4.6
123.11687	1.4
124.44407	0.8
125.09655	1.2
129.07005	1.5
129.94942	0.8
131.08548	4.6
133.10110	7.0
135.08011	5.6
135.11667	3.6
137.05936	1.9
137.09593	11.3
141.05449	1.2
141.06870	1.1
143.08527	3.9
145.06468	1.3
145.10118	10.1
147.08081	2.7
147.11664	23.0
147.12859	1.2
148.12061	1.0
149.05991	1.2
149.09583	6.8
149.13283	1.2
151.07550	1.0
151.11145	1.9
155.08592	2.0
156.09328	1.3
157.10054	5.4
159.08083	2.1
159.11659	4.8
161.09578	4.8
161.13254	2.1
163.07521	0.9
163.11154	6.6
165.09137	1.8
169.10103	1.6
171.08090	1.3
171.11664	4.1
173.09610	8.0
173.13269	2.6
175.07559	1.9
175.11189	3.4
175.14803	1.1
177.09097	2.8
178.00293	0.8
179.06906	0.9
179.08546	1.4
179.10703	1.6
181.10081	1.8
183.11697	2.1
185.09682	2.1
185.13242	3.0
187.11133	3.3
187.14813	2.0
189.09047	4.0
189.12732	2.5
191.10715	2.9
193.12242	1.1
197.09758	1.1
197.13234	2.4
199.11160	1.7
199.14806	3.5
201.09059	2.7
201.12691	1.8
203.10651	1.8
203.14363	1.2
205.12277	2.4
207.10165	1.4
207.13750	1.3
209.13274	3.2
211.11122	2.0
211.14803	1.8
211.46117	0.9
213.12817	1.7
215.10683	1.4
215.14365	2.1
217.12302	1.9
221.13309	1.4
223.11113	1.1
223.14813	1.9
225.12697	2.6
225.16298	1.1
227.10704	1.6
227.14281	3.5
229.12267	2.4
229.15924	1.2
231.13828	1.3
239.14238	1.6
241.19508	3.5
243.13821	3.8
245.15326	1.3
245.19231	1.1
249.16397	1.7
251.14302	2.1
251.18004	2.0
253.15880	2.5
255.13776	1.0
257.15381	2.6
261.14728	1.4
263.16562	1.1
265.19516	1.1
267.17410	2.6
269.15604	1.7
269.18973	8.4
271.13406	0.9
271.17041	1.3
275.16345	2.7
277.15518	0.9
283.20584	3.1
285.14786	2.1
285.17984	1.1
287.17047	1.4
287.20041	9.4
293.18896	4.1
295.16916	2.1
297.18533	2.2
311.16534	1.4
311.19849	10.5
311.22781	1.0
313.18021	2.7
325.18008	2.8
329.21060	38.9
330.21417	2.4
335.23709	2.6
339.19659	1.4
339.23206	3.7
343.19043	1.2
353.24628	5.9
357.24158	9.7
363.23099	8.0
371.25775	3.2
381.24200	30.5
381.29074	2.0
382.24738	2.2
392.80615	0.9
399.25266	100.0
400.25540	6.7
417.26410	1.5
435.37460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2629
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
51.13511	1.9
55.05520	10.0
57.03415	2.8
57.07059	4.1
59.92490	1.9
64.14480	2.3
65.03918	2.5
67.05486	26.4
69.03414	3.6
69.07053	8.2
69.15367	2.4
71.04976	8.2
71.81108	2.6
72.58783	2.7
77.03905	2.2
78.28986	1.9
79.05482	7.5
81.07040	16.7
83.04965	8.0
83.08611	6.0
85.02902	2.4
85.06506	4.2
91.05466	13.8
93.07033	19.9
95.04943	5.4
95.08595	40.4
97.02952	2.1
105.07035	17.4
107.04928	2.5
107.08578	16.0
109.06487	7.0
109.10138	42.0
112.35098	2.2
113.05983	8.7
116.21546	2.0
117.06983	2.7
119.08567	43.5
121.06516	5.7
121.10132	21.5
123.04446	3.3
123.08080	6.8
129.07001	3.6
131.08562	6.3
133.06503	2.6
133.10130	11.3
135.08058	6.0
135.11682	5.5
137.05937	3.1
137.09605	13.9
141.05470	3.2
142.07748	3.1
143.08502	4.9
145.06500	3.4
145.10085	16.7
147.08044	4.0
147.11644	24.4
149.09596	7.9
157.10126	7.5
159.08028	2.9
159.11696	8.4
161.09590	4.4
161.13197	3.2
163.07542	2.9
163.11160	5.8
167.10594	2.0
169.10123	4.5
171.11671	5.1
173.09567	10.9
173.13223	3.6
175.07603	2.8
175.11206	6.3
175.14925	2.1
183.11609	2.5
185.09610	4.2
185.13235	4.4
189.09096	7.3
191.10661	6.1
193.12019	2.1
197.13200	4.0
199.14777	4.3
201.09160	3.5
201.12700	3.3
203.10686	2.6
207.10037	4.7
207.11804	2.7
209.13193	3.7
213.09160	2.3
215.14172	2.3
217.12236	3.1
223.14742	3.1
225.12842	2.5
227.14330	4.2
229.12207	2.5
229.14299	3.5
239.14442	2.5
239.17538	2.4
241.19501	4.5
243.13765	5.4
245.15143	2.4
251.17812	3.9
255.13725	3.4
257.15399	4.5
267.17490	3.8
269.18961	8.3
275.16254	4.6
277.18106	2.9
283.20435	3.7
287.20007	9.8
293.19077	3.9
295.17197	2.6
297.18396	3.5
311.19986	13.0
325.17908	3.4
329.21051	52.6
330.21417	3.3
339.23056	4.4
353.24658	5.6
357.24185	12.3
363.23083	8.5
371.25833	2.9
381.24210	40.2
382.24570	2.4
383.24307	2.6
399.25275	100.0
400.25827	5.8
417.26706	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	417.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	1.3
67.05479	1.1
69.07059	12.5
70.00403	4.1
70.07371	0.8
75.45507	0.7
79.05455	0.9
81.07030	2.2
83.01329	2.0
91.05443	1.4
93.07034	5.3
95.04913	0.8
95.08575	3.0
105.03387	0.8
105.07010	2.6
107.04904	0.9
107.08571	7.3
109.06458	0.6
109.10127	2.1
116.84295	0.7
117.06989	1.1
119.08544	1.2
121.06492	1.8
121.10088	1.6
123.08093	0.9
123.11687	4.2
131.08553	0.9
133.10153	1.0
134.03067	0.7
135.08014	2.4
135.09021	0.6
135.10748	1.1
135.11674	11.1
137.05960	1.0
149.05936	2.7
152.13177	0.7
153.05429	2.6
163.07516	6.6
165.05457	13.5
173.05905	0.8
179.07040	1.1
184.07220	0.7
189.05440	1.0
191.06998	49.2
192.07323	2.1
197.07980	3.7
198.08296	0.7
205.08562	1.1
209.08052	100.0
210.08376	3.9
219.09988	0.7
221.11667	2.7
223.09538	1.4
265.14444	4.5
275.12738	1.8
277.14386	1.4
287.16379	14.1
293.13809	3.1
329.17331	1.3
331.18970	31.9
332.19287	1.7
343.18857	1.7
343.22565	0.9
399.24973	0.9
417.26120	0.9
425.23523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12973	1.2
60.45388	1.1
62.06760	1.1
67.05508	1.4
69.07061	29.8
71.31223	2.1
72.39062	1.0
79.05455	2.0
81.07030	2.1
83.01353	2.0
89.88341	1.2
91.05460	1.9
93.07033	7.6
95.08559	1.5
107.08583	3.7
109.10127	3.3
113.35846	1.4
117.06982	1.2
121.06488	2.0
123.11678	6.0
129.86122	1.1
131.08560	1.7
135.08043	3.5
135.11679	6.8
137.05884	1.6
149.05991	2.7
153.05438	3.3
163.07484	5.8
165.05472	21.8
173.09593	1.4
175.07539	1.4
177.09074	1.9
179.07019	6.7
187.07591	1.5
191.07008	53.5
192.07315	1.7
197.08035	2.5
201.09023	3.3
203.06870	1.5
205.08572	10.6
209.08067	86.8
210.08315	2.0
219.10130	3.5
220.08623	1.3
221.08041	1.5
221.11777	8.3
223.09601	15.2
229.08586	14.0
231.10168	4.4
247.09621	18.3
251.12880	1.2
257.11636	2.8
263.31516	1.2
275.12811	12.9
275.15958	1.9
277.14310	2.0
287.16376	29.8
288.16620	2.1
289.14444	1.3
313.17944	2.0
329.17426	2.7
331.19012	100.0
332.19333	5.0
338.97977	1.2
343.19055	3.3
349.20123	1.2
399.25119	3.2
432.97449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2632
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
54.25529	0.7
55.05497	1.3
57.03425	1.7
57.07045	1.4
67.05482	3.2
69.03413	1.4
69.07063	24.0
69.80354	5.9
71.04974	1.7
74.71033	0.8
79.05482	2.6
81.07057	6.7
83.01337	2.4
91.05475	2.1
93.07037	9.9
95.08580	3.7
107.08575	6.9
109.06520	0.9
109.10139	4.0
119.08613	1.4
121.06481	3.6
121.10125	1.3
123.11681	4.8
135.08022	3.8
135.11681	13.8
137.05942	1.4
139.62891	0.8
141.05394	0.8
142.13545	0.7
143.21548	0.8
147.08043	1.4
149.05978	2.8
149.09547	1.7
151.07524	1.1
153.05470	2.1
153.12700	3.6
159.08011	1.2
161.05957	1.8
163.07558	5.8
165.05467	10.9
175.07558	2.5
177.05464	1.8
177.09079	3.5
178.06284	1.1
179.07024	16.1
181.04979	1.1
184.62094	0.8
187.07512	1.2
189.05379	1.3
191.05293	1.9
191.07007	35.1
197.08064	3.1
201.09016	1.1
201.12798	0.9
203.07014	11.5
205.08588	21.2
206.09000	1.1
207.06563	1.8
207.10252	1.0
209.08064	51.9
210.08438	2.0
215.07031	1.7
219.10175	1.4
221.08031	6.3
223.09622	32.7
225.07468	2.5
229.08565	4.4
229.12134	1.4
231.10114	4.2
247.09605	8.3
249.11115	1.2
257.11719	5.7
261.11078	1.0
265.14340	1.4
275.12772	21.0
275.15964	1.8
277.14328	6.7
287.13129	2.0
287.16373	37.6
288.16840	1.1
293.13834	2.7
305.17450	0.9
313.17889	2.2
329.17325	2.2
331.19003	100.0
332.19443	5.6
343.18930	8.9
349.20132	2.2
361.19925	2.4
399.25266	4.0
417.16336	8.6
417.21515	1.6
418.17133	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05491	0.6
57.03436	0.7
67.05477	1.1
67.94156	0.5
69.06701	0.9
69.07060	14.2
71.50832	1.1
72.35823	0.4
81.07041	3.3
81.16868	0.5
83.01323	2.1
91.05468	0.9
93.07022	3.3
95.08620	0.8
107.08585	4.4
109.06529	0.7
109.10137	1.0
117.07023	0.6
121.06453	1.7
123.10777	1.0
123.11684	17.4
123.20089	0.5
124.12091	0.6
125.56178	0.5
135.08031	3.1
135.11668	5.5
137.05937	1.3
149.05963	3.4
153.05423	2.4
163.07532	5.5
165.05452	27.6
166.26576	0.4
171.45045	0.5
173.09671	0.5
177.09142	0.7
179.07005	1.1
191.07002	49.2
192.07324	1.3
197.08067	2.7
201.69774	0.5
205.08525	1.0
207.06476	0.5
209.08061	100.0
210.08409	4.1
221.08319	0.6
221.11691	15.6
223.09647	1.6
229.08530	1.3
247.09621	1.6
275.12628	1.3
277.14215	2.8
280.63257	0.5
287.16391	12.3
288.16580	0.6
305.17505	1.5
329.17334	0.9
331.19006	30.2
332.19351	1.8
343.19083	1.0
343.22684	2.0
347.18619	0.6
349.19965	1.4
399.25082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2631
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
55.05487	3.0
57.03426	2.2
57.07056	2.8
57.53205	1.1
65.37737	1.0
66.04764	1.1
67.05489	2.9
69.06706	1.6
69.07059	25.4
70.07399	1.3
70.90992	1.0
71.79705	2.1
79.05481	2.6
81.07048	8.3
83.01317	2.4
91.05455	2.6
93.07016	6.2
94.07358	1.0
95.08577	3.0
99.08068	2.4
99.55801	1.1
105.03361	1.2
105.07005	4.1
107.04983	1.5
107.08579	9.8
109.06454	2.3
109.10139	4.3
117.06992	1.1
119.08564	1.2
121.10149	6.3
123.11691	18.6
125.06034	1.4
125.55531	1.0
127.07545	1.6
131.08591	1.5
135.08025	3.2
135.11668	9.7
137.05957	2.8
137.09546	2.2
145.10080	1.8
147.11635	1.2
149.05936	3.6
151.11139	2.0
153.05457	3.4
163.07582	7.6
163.11115	2.4
165.05458	53.5
166.05771	2.5
173.09596	2.9
176.38454	0.9
176.39978	1.0
176.79974	1.2
185.09593	1.2
189.05508	1.2
191.07010	62.9
192.07434	2.7
197.08072	3.2
203.06958	2.3
205.08542	2.8
209.08064	100.0
210.08333	3.0
215.06952	4.1
217.08704	1.5
219.10141	2.9
221.08228	2.0
221.11708	20.4
223.09570	1.8
229.08577	4.7
231.10049	1.9
233.08081	3.4
237.11174	1.8
247.09554	8.9
249.11050	2.1
275.12708	2.9
277.14294	7.4
286.64957	1.3
287.16391	31.1
288.16684	3.0
305.17419	7.3
329.17474	2.9
331.18988	87.7
332.19394	4.6
343.18948	7.2
343.22650	4.4
348.21591	2.8
349.20871	5.8
373.14484	2.3
375.39395	1.2
399.25162	5.8
417.16531	10.5
417.21616	2.3
418.17499	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.05505	1.6
57.07074	2.0
67.05480	2.6
69.07054	6.4
70.36790	3.8
71.04976	1.1
79.05441	1.9
81.07061	6.4
84.85126	0.9
87.29478	0.8
91.05453	2.9
93.07022	5.2
95.04967	0.9
95.08571	3.3
97.10149	1.5
103.28980	1.0
103.84235	0.8
105.07009	4.1
107.01345	0.8
107.08576	5.4
109.02831	0.8
109.06501	1.3
109.10136	2.1
110.11559	0.8
114.43172	0.8
115.05499	0.8
117.06989	1.6
117.13680	0.8
119.04845	0.8
119.08561	2.1
121.06465	6.3
121.07161	0.8
121.10165	2.7
123.07980	1.2
123.11687	17.6
126.17353	0.8
127.03937	0.8
129.06984	3.3
133.06496	4.3
133.10162	1.1
135.08026	13.0
135.11650	3.7
137.09605	1.2
145.10104	0.9
147.08026	5.6
147.11650	1.3
149.05952	2.8
151.03893	3.1
151.07494	1.2
153.05489	1.6
157.06448	4.0
159.08067	1.4
161.05975	15.5
163.03886	1.5
163.07536	1.9
165.05389	2.3
173.09680	1.4
175.07533	18.4
177.05379	1.1
185.05940	3.1
191.07054	8.3
193.08426	0.9
195.06447	1.0
203.07010	100.0
204.07353	2.5
205.08562	4.2
209.08081	11.7
217.08586	2.4
221.08064	67.6
222.08438	1.8
223.09595	6.0
235.09625	1.5
239.08965	1.3
243.09964	0.9
250.89886	0.9
259.13290	5.1
260.13464	1.0
269.11691	1.1
273.14761	1.7
277.14325	59.6
278.14752	1.6
287.12753	1.5
287.16296	1.3
291.12463	1.4
291.15796	4.7
293.13751	0.9
325.17926	3.7
331.18909	5.8
343.19006	63.2
344.19443	3.1
361.20065	29.9
361.24509	1.3
399.24750	4.2
417.16669	1.0
417.26169	5.9
417.37170	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	417.2629
Annotation	(-)-S 15183a
Peak:m/z	Relative Intensity
54.99279	0.7
55.05495	0.9
57.03415	1.9
67.05484	2.3
69.07055	36.6
69.79683	6.1
69.80001	1.3
79.05476	0.9
81.07037	2.3
83.01327	1.8
91.05442	1.8
93.07024	3.0
95.04889	1.0
95.08611	1.1
107.04935	1.4
107.08593	3.5
109.06461	0.9
109.10154	4.4
119.08620	0.8
121.06465	2.0
121.10166	0.9
123.11679	4.3
125.72053	0.7
135.08009	3.9
135.11670	4.4
145.06470	1.1
147.08026	1.2
149.05978	3.4
150.90208	0.9
153.05423	3.1
163.07489	5.8
165.05461	8.3
167.07034	1.8
173.05855	0.9
173.09657	0.9
175.07521	3.6
177.05440	2.1
177.47818	0.7
179.07018	1.1
184.42938	0.8
189.05437	1.4
191.06999	54.2
192.07333	2.1
193.08569	2.0
197.08041	2.5
201.09035	0.9
203.06985	2.8
205.08542	2.3
207.06644	1.0
209.08055	100.0
210.08392	3.3
215.06940	1.3
219.10225	1.9
221.08093	6.6
221.11591	1.0
223.09547	1.5
229.08553	6.3
231.10139	1.5
233.08055	1.8
245.11711	3.0
247.09627	9.4
259.13525	0.8
261.11264	1.0
263.12784	8.8
275.12695	1.4
275.16141	0.9
287.16318	4.7
304.20856	1.0
305.17535	1.9
321.74545	0.7
331.19003	30.6
332.19440	1.9
343.22632	2.9
347.18488	1.9
349.20044	22.1
350.20279	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46001	0.8
53.03930	0.9
55.05497	1.4
57.03430	2.0
67.05489	1.8
68.69000	0.8
69.03412	1.3
69.07053	30.3
70.13166	0.7
70.98361	2.8
78.84042	0.8
79.05492	1.6
79.64027	0.8
81.07048	3.6
83.01334	1.6
91.05482	2.0
93.07032	8.4
95.04955	0.9
95.08604	2.1
105.06985	1.0
107.08582	4.8
109.06459	0.8
109.10149	4.2
109.77233	0.7
119.08598	1.2
120.06196	0.8
121.06482	2.0
121.10131	1.1
123.11703	3.3
124.67120	0.8
131.08611	0.7
135.08049	3.3
135.11681	7.4
147.08177	1.0
149.05997	1.2
149.09604	1.4
151.07509	0.9
153.05479	4.6
153.12700	1.2
159.08023	1.6
161.05984	1.6
161.09676	0.8
163.07494	6.0
165.05461	8.5
175.07622	1.9
177.05470	2.0
177.09117	2.9
178.06201	1.6
179.07018	7.8
187.07407	1.0
191.06996	33.1
191.30084	0.8
192.07257	1.1
197.08112	2.8
201.09071	1.1
203.06963	6.8
205.08568	18.4
209.08051	47.6
210.08502	0.9
215.06937	1.5
215.10449	1.0
216.07634	0.9
217.08600	2.7
219.10172	3.5
221.08058	4.8
223.09610	31.6
229.08568	7.9
231.10164	3.7
233.08133	1.9
235.09647	1.7
241.08556	1.4
243.10120	1.4
247.09618	15.2
255.10112	1.1
257.11655	6.5
259.13467	0.9
261.11145	1.0
263.12277	1.0
269.11612	1.3
273.14874	0.9
275.12759	20.1
275.16016	2.0
276.13126	1.0
277.14365	2.3
287.13107	1.7
287.16367	24.4
288.16785	1.4
305.17450	6.3
313.17917	2.4
325.17877	2.5
329.17459	1.5
331.18973	100.0
332.19287	5.9
343.18982	21.7
343.22635	1.7
344.19202	1.5
349.20020	36.0
350.20587	1.8
361.20114	2.5
399.25107	6.9
417.26309	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	417.263
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
61.21740	0.8
69.07066	11.4
70.26357	3.4
83.01324	2.4
88.57023	0.7
93.07021	2.8
101.33031	0.8
107.08575	3.9
121.06515	2.1
123.11701	4.7
135.08034	3.9
135.11671	5.5
137.05965	1.1
149.05981	2.4
153.05415	1.7
157.39729	0.9
163.07515	7.5
165.05447	20.7
191.07011	57.0
192.07367	2.1
197.08047	1.6
209.08067	100.0
210.08406	2.6
221.11716	9.9
268.12045	0.9
277.14182	4.5
279.98480	0.9
287.16348	11.7
312.17505	0.9
329.17377	1.3
331.19025	28.8
332.26010	0.9
343.18863	1.4
349.20053	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	417.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05492	0.6
56.30454	0.3
57.07044	0.7
59.36939	0.3
62.92406	0.2
67.05476	1.2
69.03400	0.2
69.07053	3.0
69.48031	2.3
69.48439	0.6
77.03916	0.3
79.05473	1.6
81.07043	4.7
91.05463	2.7
93.07032	3.1
93.64467	0.2
95.04943	0.4
95.08594	1.9
105.07021	2.2
107.01265	0.4
107.04899	0.7
107.08572	4.8
109.02886	0.3
109.06506	0.8
109.10127	2.1
117.07001	1.6
119.08571	2.4
121.05613	0.3
121.06482	6.9
121.10110	0.9
122.08661	0.3
123.04395	0.3
123.08030	0.5
123.11686	19.3
124.12047	0.6
128.06233	0.4
129.06999	1.5
131.04851	0.4
131.08548	0.5
133.06467	3.5
133.10085	0.7
135.04366	0.4
135.08031	11.5
135.11678	4.0
136.08324	0.3
137.05898	0.3
143.08511	0.3
145.06470	0.5
145.10075	0.4
147.04401	0.4
147.06841	0.4
147.08015	7.5
147.11687	0.6
149.05948	1.8
151.03880	6.1
151.07507	0.5
153.05469	0.5
157.06459	4.4
159.04381	0.3
159.07976	0.5
160.05199	0.4
161.05951	13.7
162.06296	0.4
163.03886	1.9
163.07527	2.6
165.05457	0.5
165.08960	0.3
173.05957	0.5
175.04071	0.5
175.07521	17.8
176.07907	0.6
177.05446	1.0
180.01756	0.3
185.05956	2.9
185.13315	0.3
187.07645	0.3
187.09850	0.3
188.04626	0.3
189.09171	0.3
191.06984	6.2
193.08600	0.7
195.06483	1.2
203.06995	100.0
204.07324	3.1
205.08563	1.1
207.10109	2.7
209.08057	9.5
210.08438	0.4
213.12706	0.6
217.08562	1.0
217.12033	0.3
221.08052	67.2
222.08400	2.3
223.09575	0.9
229.08557	0.4
231.10223	0.3
231.13750	0.5
239.09175	0.6
241.08539	0.8
241.12344	0.4
243.10060	0.3
257.11685	0.4
259.13263	5.9
261.11026	0.4
265.14157	0.6
269.11697	0.5
273.14835	2.0
277.14313	58.6
278.14566	2.6
283.13245	0.7
291.15848	1.6
297.18542	0.3
307.16986	0.9
317.17465	0.4
325.17834	3.5
326.18134	0.3
331.18951	2.1
343.18988	53.7
344.19281	3.6
349.20090	1.0
361.20029	35.9
362.20398	2.0
399.25232	5.7
400.26001	0.3
417.17123	0.5
417.21512	0.4
417.26260	10.3
418.17395	0.3
418.26682	0.5
426.13245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.1
55.01828	1.9
55.05501	4.1
56.05109	0.4
57.03428	4.5
57.07030	1.0
59.38272	0.5
61.02919	7.1
61.84171	0.5
65.03893	2.2
67.05489	9.2
69.03418	8.2
69.07055	12.5
70.06557	1.3
71.01328	1.3
71.04971	3.3
71.77416	0.6
71.77818	0.7
73.02906	3.1
74.00658	0.6
77.89148	0.5
78.04674	2.0
79.05485	10.6
81.03401	6.0
81.07043	10.3
83.04962	3.6
83.08584	1.6
84.08114	0.8
85.02422	1.1
85.02889	15.0
85.06528	3.2
86.09683	0.7
86.83209	0.5
87.04443	0.9
91.03948	3.9
91.05466	5.7
93.07027	11.8
95.04965	3.8
95.08582	5.9
97.02365	0.6
97.02881	7.8
97.06520	5.9
97.10112	1.9
99.04390	1.7
99.08079	1.2
101.02311	1.5
103.03944	0.6
103.05453	3.1
105.03325	0.7
105.07010	6.6
106.04163	0.7
107.04954	6.3
107.08575	8.9
109.02825	2.7
109.06480	3.4
109.10140	5.5
110.03571	0.8
111.04435	4.6
111.08039	1.5
111.11707	3.4
113.09605	0.9
115.05441	3.5
117.07005	8.3
119.04890	0.6
119.08553	5.3
120.08805	0.6
121.06499	4.2
121.10134	5.1
123.04427	7.9
123.08028	1.4
123.11652	2.1
124.05212	3.1
125.05949	2.0
125.09597	0.8
127.03908	5.1
129.05461	0.9
129.06966	1.1
131.04861	1.7
131.08522	1.8
133.06467	1.2
133.10123	4.8
135.08057	3.8
135.11671	14.5
137.05956	1.7
137.09587	1.3
137.13130	0.6
138.03046	0.7
139.03889	2.7
139.07559	0.7
142.02586	0.8
143.08545	0.8
143.10703	0.7
145.04932	2.4
145.06450	8.2
145.10088	5.9
146.06728	0.7
147.04340	0.8
147.08005	1.0
147.11649	3.6
148.05124	1.5
149.05904	0.6
149.09628	1.2
149.13251	1.2
151.03853	1.6
151.07443	0.6
151.11125	0.8
152.04677	1.6
153.01785	2.2
153.05386	1.6
153.12643	0.8
155.04893	0.6
155.06018	2.3
159.08038	0.6
159.11726	2.5
161.05960	1.6
161.13226	4.9
163.03899	1.0
163.07536	1.7
163.11162	4.5
163.14717	0.7
165.05441	1.1
167.07016	100.0
168.07341	4.3
171.06485	2.4
173.05962	17.7
173.13223	1.8
174.06371	0.8
175.07501	0.7
175.14801	2.1
177.05470	0.6
177.12706	0.6
177.16222	0.6
179.07141	0.6
181.04930	32.9
181.12219	7.5
182.05293	1.8
183.06531	0.9
189.16290	0.9
191.06978	6.4
191.17918	0.8
193.08536	0.9
195.06552	1.2
199.13287	1.2
201.05449	0.6
201.16377	5.5
202.16701	0.6
203.07030	0.8
205.08667	2.9
207.06476	0.9
207.17336	0.8
217.08589	1.7
219.10214	0.8
219.17377	6.1
221.15404	0.9
233.08029	7.6
235.07692	0.6
235.09627	3.2
237.18451	21.9
238.18816	1.2
239.12682	0.7
255.15883	13.0
255.19557	2.0
262.75949	0.6
267.06479	0.9
272.37509	0.5
283.15320	0.8
285.04025	1.3
297.07687	2.0
297.17047	0.8
303.04932	0.7
307.09506	0.6
313.03589	0.7
371.14978	0.9
373.08298	0.7
381.09387	0.9
381.13657	0.9
385.13062	1.6
387.14325	14.0
388.14713	1.8
399.10101	2.5
399.19659	1.3
399.24286	1.3
400.15125	0.7
417.15610	35.6
417.20636	3.0
418.16049	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	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03926	0.6
65.03937	1.5
65.04227	0.3
67.05495	0.8
69.03419	0.3
70.87884	0.6
73.86074	0.3
78.04702	2.0
79.05477	2.0
81.07028	0.5
82.04183	0.4
83.04958	0.5
85.02880	1.3
91.05463	1.1
93.03400	0.4
93.07027	0.4
95.04926	1.0
97.02873	0.4
103.05450	1.0
105.03360	0.4
105.06995	0.6
105.72104	0.3
106.04150	1.3
107.04924	1.4
107.56612	0.3
109.02865	0.4
110.03619	0.8
111.04453	0.7
115.05447	3.1
117.07008	5.3
119.08553	0.7
122.03632	0.3
123.00719	0.3
123.04417	7.1
124.05208	2.6
125.05999	0.3
127.05417	0.8
131.04869	0.5
131.08601	0.3
133.46222	0.3
137.06000	0.7
138.03117	0.3
142.02591	0.4
143.04828	0.4
145.06467	9.8
147.08025	0.3
151.03906	1.8
152.04694	2.0
153.05438	0.5
155.06009	2.5
158.03644	0.4
160.22597	0.3
163.07571	0.3
167.07019	100.0
168.07341	1.3
171.06529	1.1
173.05956	15.3
174.06528	0.5
176.91605	0.3
181.04936	22.0
191.07021	0.7
201.05484	0.7
205.08571	3.0
217.08614	0.5
219.17485	0.5
233.08043	6.2
235.09677	2.7
237.18445	0.5
267.06586	0.5
288.28748	0.3
297.07602	1.1
302.66464	0.3
307.09567	0.4
348.97794	0.3
349.02597	0.3
355.11798	0.5
387.14328	14.6
388.14713	0.6
399.10593	0.5
417.15427	37.7
418.15671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01853	0.5
57.03424	0.6
69.03420	0.7
69.51438	4.4
71.05001	0.4
72.18098	0.5
79.05484	0.9
81.03406	0.8
85.02912	2.0
86.09698	1.0
91.05470	0.9
93.07020	0.4
95.04939	1.2
97.02859	0.8
105.07005	0.5
105.55529	0.4
107.04932	0.7
109.02855	1.2
109.06474	0.5
111.04412	0.4
116.15884	0.4
119.04936	1.2
121.02850	3.0
121.06497	0.7
123.04434	1.6
127.03911	0.8
135.04375	0.9
141.01799	0.6
147.04376	4.8
150.36517	0.4
151.03912	1.0
153.01833	1.2
154.48866	0.4
163.03909	2.8
163.83423	0.5
165.01813	8.1
165.04155	0.5
167.07034	2.4
167.10658	1.6
173.05962	0.7
175.03847	0.6
177.01819	4.4
177.05498	0.7
181.04944	1.1
182.89476	0.4
183.02881	5.3
187.03856	0.7
189.01886	1.0
191.03360	8.1
195.02899	2.0
195.10141	1.5
203.03378	0.8
205.04932	0.7
207.02850	0.8
209.04474	0.8
215.03340	0.9
219.02869	14.8
220.03432	0.5
231.02866	5.8
233.04506	0.6
233.08141	0.5
237.03841	0.7
237.11230	0.9
243.02893	1.5
249.03943	2.2
249.64407	0.4
255.12238	11.1
256.12378	0.5
261.03925	6.6
273.07550	0.7
279.04974	1.9
285.07562	8.4
285.12903	1.2
286.07767	0.6
297.07645	5.0
298.07617	0.5
309.07504	0.6
339.08612	11.5
340.09067	0.8
351.08633	4.1
363.08542	2.1
369.09494	0.5
381.09729	2.5
387.14383	0.6
399.10733	3.1
417.17270	100.0
418.17529	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	417.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.3
55.01837	1.7
55.05482	0.9
60.41779	0.6
65.03882	2.1
66.04681	0.8
67.05450	2.4
68.99763	1.1
69.03393	1.2
69.07024	1.0
69.56802	4.3
69.57203	1.9
70.06504	0.8
71.04939	0.8
78.04655	2.6
79.05488	4.0
81.03371	1.9
81.07002	2.4
85.02897	4.1
85.06470	0.9
85.88286	0.6
91.05419	3.2
93.07004	1.5
95.04899	2.6
95.08560	1.4
97.02869	1.2
97.06456	2.0
103.05418	2.7
105.03374	4.8
105.07037	3.8
106.04099	2.0
107.04938	5.7
107.08558	1.9
109.02814	0.9
109.10104	1.4
110.03648	0.9
111.04415	1.3
113.05870	0.7
115.05399	3.5
117.06996	6.4
119.08533	1.3
121.06487	1.5
121.10067	1.1
123.04397	7.1
124.05157	2.8
125.05941	0.8
125.09552	0.8
129.03337	1.9
131.04854	2.8
131.08531	0.8
133.06407	1.3
133.10078	2.0
135.04367	0.8
135.11684	1.4
137.05952	1.2
138.03012	0.9
139.03868	1.5
141.01796	1.3
143.10655	1.0
145.06464	8.6
145.10068	1.3
147.04385	2.3
147.08018	1.3
147.11606	0.8
148.05141	0.8
149.02322	1.6
151.03856	1.5
152.04596	2.2
153.01808	1.9
155.06004	2.1
159.11642	2.0
161.05995	1.0
161.13203	1.0
163.03902	1.6
163.07516	1.0
165.01793	7.7
165.05507	0.8
167.03426	3.7
167.07013	100.0
168.07364	2.1
171.06479	1.5
173.05966	15.1
177.01865	0.9
179.06871	0.8
181.04935	35.2
182.05302	2.6
183.02882	4.0
183.04312	0.7
187.03882	1.4
191.07001	5.0
193.08485	0.7
193.12291	0.7
201.05342	0.7
201.16330	2.0
205.04887	1.1
205.08545	4.2
213.05469	1.5
215.03185	0.7
217.08652	1.3
219.17448	2.9
223.07564	1.3
233.08020	6.3
235.09555	3.7
237.18564	2.7
238.06151	0.8
239.06889	0.9
251.07007	10.0
254.05771	2.7
255.06479	20.8
255.19606	3.0
256.06805	1.0
263.07025	1.5
265.08545	8.0
267.06482	87.0
268.07022	10.8
279.06619	10.2
279.10202	2.2
281.08179	2.2
289.08658	2.1
291.06561	2.7
292.07394	2.0
293.04718	1.4
293.07980	20.5
294.08633	1.2
297.07535	61.7
298.07816	3.3
305.08170	2.3
307.06268	1.0
307.09592	11.2
317.08218	3.0
321.07538	32.1
322.08090	2.3
333.07465	8.9
334.08350	0.9
335.09290	2.0
345.07544	6.6
346.08029	0.9
351.08603	19.9
351.12479	1.4
352.09314	0.9
355.08240	1.0
363.08575	13.8
364.09207	1.6
381.09595	14.5
382.10056	1.5
386.13150	2.1
387.14301	14.1
388.14932	0.8
399.10544	10.4
417.15738	37.0
418.15973	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	chrysin 8-C-glucoside
Peak:m/z	Relative Intensity
53.03951	0.6
55.01871	0.6
57.03419	0.6
64.95998	0.5
65.39681	0.6
68.45525	0.6
69.65476	1.7
69.65902	3.4
69.72801	0.5
79.01849	3.7
81.03391	1.8
85.02877	2.1
86.09693	0.7
86.70061	0.7
97.02836	0.6
98.21439	0.8
103.05442	1.5
105.03390	15.5
109.02840	1.1
123.04346	0.8
129.03368	0.8
137.02299	0.7
143.03355	0.7
144.14435	0.5
145.06465	0.7
149.02303	0.7
151.04036	0.7
157.04362	0.6
163.03893	1.4
165.01840	1.8
167.07039	5.4
171.02849	0.6
173.06049	0.7
175.03810	0.7
177.01817	1.0
179.03419	0.6
181.04936	2.2
183.02861	1.7
187.03842	1.1
190.07715	0.6
191.03378	1.0
191.06926	0.6
197.05939	3.1
199.03957	0.7
205.44868	0.6
211.07487	1.1
212.08287	0.9
217.05002	3.9
226.06175	0.8
227.07007	2.6
233.04292	1.0
239.07057	5.0
240.07762	9.8
243.02750	2.7
243.06517	1.7
251.06984	1.0
252.07724	1.2
255.06503	3.4
261.01733	0.5
261.04001	4.6
264.07635	0.7
267.06497	82.3
268.07260	38.4
269.07883	4.2
279.06555	13.1
281.08087	18.8
282.05316	1.0
282.08325	1.3
289.08646	1.4
291.06512	1.5
292.07233	4.0
293.08029	5.0
295.06082	3.4
297.07553	100.0
298.07916	4.3
305.08136	0.9
307.06064	2.1
307.09586	20.8
308.09790	0.9
309.07578	5.6
311.09128	1.8
321.07544	22.5
322.07846	1.5
323.09152	0.7
327.08572	5.3
333.07556	2.1
335.09158	6.4
339.08566	2.1
345.07642	0.9
351.08600	17.5
352.09015	1.3
363.08612	11.5
364.08997	0.8
381.09683	30.0
382.10007	1.7
399.10727	45.5
400.10989	3.4
417.11746	87.9
418.12048	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	416.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01861	1.2
55.05495	5.6
55.62708	0.7
57.03423	1.3
57.07067	13.9
58.07396	1.8
59.04994	33.8
61.02908	2.7
65.03925	0.9
67.05498	0.8
68.99760	0.8
69.03418	6.5
70.06587	1.5
71.04968	0.9
73.02923	0.8
79.05483	1.9
81.03399	2.7
81.07037	2.4
83.08610	2.6
85.02394	1.4
85.02892	18.3
85.06536	2.4
86.09696	10.8
87.04457	14.2
87.04967	0.4
87.21760	0.7
89.06023	13.7
91.03955	1.7
91.05460	1.2
93.07022	1.2
95.04935	2.2
95.08585	1.4
97.02872	4.4
97.06517	0.9
99.04431	0.9
101.09640	9.1
103.03965	1.0
103.07568	100.0
105.03387	8.2
105.06998	1.1
107.04954	2.7
107.07043	13.0
107.08589	1.1
109.02853	1.3
109.06477	0.9
115.05420	0.9
117.07030	0.9
119.07021	4.0
119.08538	1.0
121.02917	0.8
121.06444	0.8
121.08634	1.9
121.10111	0.9
123.03610	0.7
123.04373	4.1
127.03918	4.2
127.07518	0.7
128.10651	1.3
131.04935	1.4
131.08563	1.3
139.03897	2.2
145.04965	7.0
145.06473	2.4
147.04407	1.3
147.11679	1.0
148.06059	1.2
149.02351	1.0
150.09088	4.8
151.03902	2.5
152.04248	1.3
153.01765	3.9
154.02205	1.5
163.03889	1.5
163.06093	1.7
163.13275	58.2
164.04272	0.9
164.13541	0.8
165.01811	1.4
166.02184	0.8
167.07019	19.5
167.08351	1.3
173.05966	3.0
175.06056	1.1
175.13283	14.3
177.01793	0.9
177.05365	1.3
178.02107	0.8
181.04938	9.3
183.02803	1.0
191.03433	1.8
191.07056	2.1
194.05312	0.8
195.02811	3.4
196.03249	2.0
204.94620	0.8
205.04871	1.5
205.08571	1.2
206.05231	2.0
207.02873	0.9
208.03146	1.0
217.04930	1.6
218.05328	1.5
219.02902	2.4
220.03188	2.1
231.02812	0.7
232.03328	0.8
233.08075	1.7
235.09549	1.2
236.06755	0.9
236.17213	0.9
237.07579	1.5
237.16887	1.6
240.07729	1.0
247.09538	0.8
248.09935	2.2
254.13838	1.3
254.18132	1.1
260.09830	1.2
261.03818	1.5
261.14548	2.6
262.04187	1.4
266.11148	1.5
267.06522	9.8
268.07214	3.9
269.03766	0.9
278.11053	4.8
279.06552	2.1
281.08060	1.9
293.07849	0.9
295.06042	0.9
296.12009	1.8
297.07544	12.4
302.07385	0.8
302.11057	1.1
307.09558	2.6
320.12219	3.0
321.07584	3.8
332.12161	2.8
335.09344	1.3
339.08478	1.2
351.08762	1.8
360.63049	0.9
362.13120	2.4
363.08707	1.3
372.07947	6.9
380.14197	1.4
381.09760	3.0
387.14410	2.8
399.10532	5.4
416.10388	6.9
416.15601	1.3
417.10733	9.0
417.15875	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	415.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.3
57.03436	9.2
57.07071	78.9
61.84792	3.5
67.05503	11.6
69.03428	4.6
69.07059	38.2
70.07381	5.0
70.70197	9.2
70.70558	7.3
71.01349	3.6
71.04997	4.8
79.05479	13.0
81.07047	63.7
81.07524	3.4
83.01321	4.1
83.04964	6.5
85.06534	13.4
90.77380	3.7
91.05463	11.8
93.07030	27.6
94.07383	5.0
95.08585	21.0
96.08972	5.0
98.20763	3.8
105.07014	37.7
107.08565	23.1
108.08927	7.6
109.06516	12.8
109.10141	24.7
119.08562	23.3
121.06489	7.7
121.10139	81.9
123.08058	9.9
123.11677	20.1
124.12057	7.6
127.07533	100.0
131.08562	9.3
133.10138	23.7
135.08026	4.8
135.11670	52.2
135.94653	3.5
136.12045	6.8
137.09586	8.6
137.13293	4.6
145.10095	19.3
147.08041	3.6
147.11699	11.5
149.09583	13.9
151.11197	15.8
153.09093	6.8
154.05801	3.6
157.10106	6.0
159.08096	4.5
159.11629	9.5
161.09567	4.6
161.13292	3.8
163.07521	7.2
163.11195	19.6
165.05424	24.7
166.05798	24.3
167.03412	3.3
167.06049	7.6
169.10112	4.1
169.12207	9.7
171.08064	5.2
171.11739	7.0
173.09598	53.1
185.09558	3.9
187.11163	9.6
197.13138	3.4
201.12836	5.4
201.16397	4.4
203.07086	4.7
203.14330	8.6
205.08623	21.6
206.08904	18.6
207.09125	12.1
211.14772	4.9
213.12834	4.6
213.16331	6.1
215.14270	7.6
221.08145	18.0
221.11752	12.7
221.15323	4.6
222.08336	3.5
222.12079	10.8
223.09651	20.0
223.12341	9.0
224.09988	22.3
225.10196	24.9
227.14240	5.2
229.12154	6.4
229.15845	6.1
245.15372	20.4
253.19522	12.6
257.11786	6.5
263.16296	3.9
269.19086	6.7
271.20523	63.4
272.20947	8.4
275.12799	7.2
275.16193	3.4
279.12292	13.0
287.16391	4.4
288.16730	16.5
289.17020	20.4
292.16144	7.5
293.16406	6.4
297.18845	4.6
313.21567	22.3
329.17508	6.4
329.21124	27.2
345.23404	10.3
346.20819	10.4
347.21802	45.8
359.21143	8.2
369.27719	7.1
379.26056	4.4
397.27509	23.9
415.19540	4.9
415.28299	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	415.2838
Annotation	DESOXYCORTICOSTERONE PIVALATE
Peak:m/z	Relative Intensity
55.01860	0.7
55.05495	2.0
57.07066	100.0
58.07404	1.1
62.43288	0.7
67.05494	1.8
69.03415	0.7
69.07070	4.5
71.05004	1.0
71.08620	1.5
71.81821	1.4
79.05481	1.4
81.07024	4.1
83.01351	1.3
83.04987	1.4
83.08640	0.7
85.06527	9.6
89.97929	0.8
91.05484	3.1
93.07025	8.2
94.07406	0.7
95.04940	1.2
95.08619	2.3
98.50970	0.6
99.11330	0.6
105.07014	3.7
107.08577	8.5
108.26923	0.7
109.06515	1.1
109.10179	2.2
117.07033	0.8
119.08549	6.6
121.06531	2.6
121.10136	6.8
123.08072	0.9
123.11691	7.5
130.07854	0.8
131.08560	1.3
131.16573	0.7
133.10159	2.6
135.08008	3.4
135.11671	9.0
137.05978	1.3
143.08466	1.3
145.10110	4.9
147.08075	1.3
147.11711	2.8
149.05959	3.9
149.09592	0.8
151.11169	1.0
153.12759	0.8
155.08438	0.8
156.17084	0.8
157.10208	1.1
158.07343	1.1
159.08086	2.8
159.11778	2.2
161.06036	0.9
161.09619	1.4
163.07584	0.8
163.11214	1.4
165.05466	1.4
167.03398	0.8
173.09627	4.9
173.13376	0.9
175.07484	1.4
175.11237	1.2
175.14813	4.1
179.10762	0.8
185.09673	1.6
187.07561	1.5
187.11191	1.4
188.08467	0.9
189.09158	2.8
191.10643	65.6
192.11052	1.9
199.11208	0.8
200.12038	2.4
201.09074	15.6
201.12776	2.3
202.09833	2.3
203.07126	2.3
203.10754	2.0
203.14339	1.1
204.11568	0.9
205.08688	1.0
205.12262	1.6
213.09244	1.4
214.13539	1.2
215.10675	3.5
217.12279	4.2
219.10159	4.2
219.17479	1.4
221.08183	2.7
223.09727	1.5
224.10014	0.9
225.07837	0.7
227.10765	3.1
228.11383	4.6
229.12343	2.9
229.15924	0.8
231.13803	0.9
233.11777	1.9
239.14131	0.8
242.13092	1.8
247.17075	1.0
257.12454	1.0
257.15332	14.1
258.15576	0.7
263.16580	1.7
275.13290	2.3
275.16370	58.0
276.13654	0.9
276.16855	2.9
291.12463	0.8
293.13821	4.9
297.18555	1.8
311.20242	2.5
313.21576	15.4
313.25107	0.9
314.22266	1.0
323.20123	0.8
329.17694	1.4
329.21323	2.3
343.19119	0.8
379.26425	1.4
397.27359	36.9
398.28052	3.1
415.28677	22.8
416.29129	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05501	4.0
57.03429	8.2
57.06792	3.5
57.07071	65.0
64.87733	2.0
67.05499	8.5
69.03423	7.6
69.07059	13.9
69.87650	4.3
69.88064	11.8
79.05485	9.4
81.07045	25.9
83.01331	5.9
83.04981	6.2
85.02958	2.0
85.06538	9.0
91.05460	5.8
93.07047	18.2
95.08574	15.5
97.10175	2.3
99.08079	3.1
105.07016	22.4
106.96440	2.3
107.08585	17.1
109.06526	7.9
109.10139	21.3
111.69572	2.4
117.07029	2.5
119.08549	16.8
121.06543	3.0
121.09253	4.8
121.10131	100.0
122.10516	2.5
123.08067	6.0
123.11713	8.2
125.05960	2.7
127.07541	81.4
130.07762	2.7
131.08560	3.9
133.10115	17.2
135.08038	5.2
135.11693	15.7
137.06018	2.4
137.09576	3.6
137.13242	2.8
138.09499	2.5
138.32654	2.1
141.09019	2.8
143.08548	2.5
145.10078	12.1
147.11678	11.6
149.09593	3.5
151.11189	13.1
153.09108	4.3
155.08534	2.1
157.10120	3.1
159.11731	5.5
161.09619	4.6
161.13251	4.1
163.11182	19.9
165.05592	2.4
165.09099	4.9
167.10754	3.0
169.12285	5.7
171.11699	3.5
173.09593	54.0
175.11224	4.0
183.10164	2.6
185.13263	2.6
187.11165	4.2
189.12668	4.4
189.16377	5.2
191.10680	3.8
203.14284	5.0
203.17848	2.7
209.11662	2.4
211.09634	3.5
211.14828	3.9
213.12842	2.7
215.14296	5.1
221.15393	4.6
224.10060	2.7
227.14331	4.0
229.12166	10.9
229.15895	6.7
241.15921	5.0
243.13963	2.2
245.15323	13.2
253.19467	7.7
257.15607	2.2
269.18988	5.3
271.20569	44.0
289.21564	5.9
295.20712	2.7
313.21600	15.1
329.21033	31.4
347.22119	30.2
348.22559	2.4
369.27670	2.6
397.27383	21.0
415.28348	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	415.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90350	0.8
55.05484	2.3
57.03428	3.2
57.07057	4.3
62.42706	0.8
67.05490	4.8
69.03405	2.7
69.07059	29.0
70.42145	4.1
72.13506	0.8
79.05460	4.0
81.03403	1.1
81.07024	3.8
83.01335	2.6
83.08607	0.8
85.06528	1.1
91.05463	10.4
93.07028	7.5
95.04954	1.8
95.08588	10.0
97.10146	1.9
98.20808	0.9
99.04467	1.1
105.07019	8.9
107.04916	1.3
107.08575	12.7
109.06494	1.8
109.10110	3.0
115.05402	1.0
117.07004	2.6
118.08784	0.8
119.08562	82.0
120.08894	2.7
121.06496	1.8
121.10119	11.3
125.09618	0.8
129.06961	1.2
131.08525	1.9
133.06503	1.8
133.10121	9.4
135.08060	4.3
135.11671	1.7
141.05389	0.9
143.08499	1.6
145.10103	3.4
145.83484	0.8
147.11671	2.6
149.05940	3.2
149.09576	1.5
149.51831	0.9
159.11649	1.3
161.09613	1.2
163.07574	4.9
163.11214	1.4
165.05511	2.3
167.10660	0.9
171.07967	1.5
171.11656	0.9
173.09615	2.9
173.13208	1.1
175.07452	0.8
175.11153	5.3
177.05443	1.1
177.09094	1.0
179.06944	2.4
181.04994	1.3
183.06409	1.0
183.11615	1.5
185.13377	1.1
187.11119	0.9
189.09174	0.9
191.06995	52.9
197.07980	1.5
201.09000	0.9
203.06932	1.2
205.08597	1.7
207.06644	1.2
209.08055	100.0
210.08337	2.0
211.11159	1.0
217.08591	1.6
223.09421	1.6
223.11330	1.6
229.12233	0.9
233.11636	1.2
235.09558	3.4
237.16374	1.5
237.22054	1.0
239.10748	1.2
239.14227	1.1
247.14847	1.4
251.10600	2.9
253.10657	2.5
255.10164	3.6
255.13719	1.8
261.12610	1.3
267.13754	1.4
269.11783	4.7
273.11154	2.7
273.14828	2.0
275.14227	1.1
277.14261	7.3
285.10052	1.4
285.14767	1.1
287.12836	5.9
293.15094	3.4
305.15399	1.1
305.18936	0.9
311.16342	15.7
313.17776	1.3
323.16391	1.7
329.17426	85.5
330.17773	2.9
341.21124	1.3
347.18469	50.8
348.18884	1.5
351.80328	0.9
361.21671	3.7
379.22745	3.1
397.23285	5.5
415.24734	31.1
416.25003	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	415.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22162	0.7
55.05511	1.4
57.03443	4.4
57.07066	1.6
64.62427	0.7
67.05499	2.9
67.59389	0.8
67.86760	0.8
69.03419	1.2
69.06689	1.8
69.07062	36.8
69.56496	7.3
79.05486	1.6
81.07051	1.9
83.01313	2.4
83.04993	0.9
85.02914	0.9
91.05483	2.8
93.07029	4.7
95.08595	10.2
99.04436	1.2
105.07018	7.9
107.08588	9.8
109.06551	1.4
109.10156	3.0
117.07012	1.3
119.04901	0.9
119.08543	5.2
121.06496	1.6
121.10120	8.9
123.08043	1.0
131.08591	1.6
133.10117	9.5
134.10460	0.8
135.08046	3.7
135.11667	1.4
136.25066	0.8
137.05943	1.0
143.08531	0.8
145.10118	2.8
147.11679	2.6
149.05983	2.2
149.09650	0.8
153.05571	1.0
157.10110	0.8
160.75313	0.9
161.09657	1.1
163.07510	5.3
165.05460	3.7
173.09526	4.1
175.11148	4.2
179.03491	0.8
179.07010	4.2
183.11635	1.2
189.09074	1.5
191.07011	56.8
191.37132	0.8
195.11636	1.2
197.08076	1.1
199.11110	1.2
205.08546	2.0
207.06496	10.2
209.08067	100.0
210.08376	2.2
211.14841	1.3
213.39912	0.8
217.08580	1.8
221.11586	1.1
223.09425	1.4
223.11266	1.2
235.09479	4.0
237.16396	1.6
239.14281	1.4
251.10655	3.5
253.10591	4.0
255.10242	3.2
255.13786	2.6
265.15829	1.4
267.13742	2.4
269.11792	3.2
273.11261	3.3
273.14676	4.2
277.14291	9.3
281.11737	0.8
283.13300	1.0
283.16946	0.9
285.14783	1.0
287.12741	8.4
293.15393	4.9
301.53253	0.7
309.18329	0.9
311.16364	17.3
315.13464	0.8
323.16528	2.6
323.20059	1.0
329.17444	93.8
330.17838	2.6
341.21048	1.0
347.18494	61.4
348.18866	2.0
351.23193	0.8
361.21671	5.3
379.22562	3.3
397.23672	7.0
415.24756	29.2
416.25018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05485	0.5
57.07066	1.1
57.86308	0.2
58.93967	0.2
61.13527	0.2
62.41504	0.2
65.03929	0.2
67.05494	1.0
69.03423	1.2
69.07061	6.9
69.95805	0.8
69.96239	0.6
70.06561	0.4
71.05001	0.2
79.01862	0.2
79.05472	0.8
81.03394	0.2
81.06628	0.2
81.07040	1.3
83.01335	0.8
83.04974	0.3
83.08575	0.4
85.02879	0.3
87.19115	0.2
91.05455	1.7
93.07031	2.0
94.72343	0.2
95.04952	0.7
95.08601	1.0
97.02839	0.3
97.06583	0.2
105.03407	0.2
105.07013	1.3
107.04919	0.3
107.08582	2.7
108.52374	0.2
109.02822	0.2
109.06492	0.7
109.10133	1.0
109.10801	0.2
110.99335	0.2
115.08685	0.3
116.32261	0.2
117.01749	0.2
117.07012	0.5
119.08566	11.8
121.06485	0.3
121.10121	0.8
123.04397	0.5
123.08067	0.4
123.11691	3.1
133.06496	0.9
133.10120	0.4
135.04434	0.2
135.08034	0.3
135.11681	3.9
137.02368	0.4
137.05959	3.7
137.09579	0.3
141.01820	0.8
141.05437	0.7
143.08536	0.2
145.10085	0.3
149.01181	0.2
149.09561	0.3
151.03879	1.2
151.07524	0.9
153.05431	0.7
155.03336	0.7
161.05992	2.0
163.11140	0.2
165.05476	3.8
167.03322	0.2
167.06996	0.4
169.10208	0.3
171.08118	0.3
173.09599	0.5
175.07510	0.4
175.11182	0.2
177.05467	0.3
179.03375	11.4
179.06999	7.8
180.03717	0.2
185.13226	0.3
189.05447	0.8
189.09274	0.2
191.06956	0.3
191.10602	0.4
195.06523	1.4
197.04436	6.2
204.46970	0.2
205.05020	0.9
206.05792	0.3
207.06500	100.0
208.06848	2.4
219.06558	0.3
221.08101	0.9
221.11635	0.7
229.15804	0.2
231.06534	0.4
245.08052	0.6
257.08075	1.5
260.96866	0.2
263.12683	0.2
269.15317	0.2
273.11237	0.4
275.12762	1.7
275.15945	0.3
287.16351	0.6
313.18201	0.2
320.67596	0.2
327.15762	0.3
329.17441	17.3
330.17743	0.6
341.17487	0.6
343.07611	0.2
347.18439	2.0
347.22333	0.3
397.23618	0.8
415.20453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05510	3.9
57.03437	5.3
57.07068	4.2
65.03945	1.4
67.05502	5.2
69.03437	2.2
69.07060	46.3
69.57694	1.2
70.09585	7.9
74.66946	1.3
79.05498	4.6
81.07048	6.5
83.01335	4.7
83.05009	2.1
91.05452	9.6
93.07039	14.4
95.04978	1.8
95.08587	13.7
97.06503	1.4
99.04467	1.7
105.03384	1.8
105.07014	15.4
107.08584	22.1
109.06518	3.4
109.10130	7.2
117.06997	1.7
119.08580	6.9
121.06512	4.7
121.10130	28.8
123.04405	1.5
123.08046	1.6
123.11745	2.5
127.07530	2.1
129.07063	1.7
131.08585	3.5
133.10124	16.1
135.04395	1.6
135.08017	7.0
135.11676	14.1
143.08560	2.1
145.06459	1.3
145.10120	11.2
147.08069	1.6
147.11685	4.4
149.06012	4.2
149.09641	4.4
151.03868	1.4
151.07564	1.6
153.05522	2.1
157.10080	2.9
159.08034	3.1
159.11659	2.1
161.06023	1.8
163.07489	6.5
163.11150	20.1
165.05484	5.8
171.08049	2.2
171.11697	2.7
173.09607	9.4
175.07573	2.3
175.11201	7.1
177.05519	2.8
177.09148	3.1
179.03419	9.1
179.07076	3.8
183.06609	1.3
183.11757	1.4
185.13387	2.3
189.09135	2.0
191.07005	55.3
191.10674	1.9
197.04483	5.8
197.08180	2.1
197.13292	1.9
201.09108	3.1
203.07048	6.1
205.08585	3.5
209.08069	100.0
210.08487	1.4
219.10133	2.5
221.08064	2.8
221.11641	2.2
223.09616	4.4
224.09940	1.8
235.09596	4.5
239.10583	1.4
239.14262	2.2
251.10703	5.4
255.10211	5.0
255.13893	4.3
257.08130	10.3
257.11768	4.1
267.13760	3.1
269.11771	6.1
273.11310	3.4
273.14740	3.3
275.12640	10.0
275.16718	1.3
277.14331	9.5
283.13419	1.7
287.12881	5.3
289.17151	4.0
293.13406	7.6
309.14810	1.7
311.16391	17.6
323.16519	3.8
329.17432	91.4
330.17764	4.1
341.17374	1.5
341.21033	3.2
347.18460	60.5
348.19156	1.8
359.21786	1.6
361.21719	6.4
379.22815	6.8
397.23715	21.1
397.28140	2.0
415.24448	41.4
416.25232	1.7
438.87778	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1594
Annotation	Hymenoside R
Peak:m/z	Relative Intensity
54.26226	0.3
55.05507	0.3
57.03420	0.5
57.07067	38.7
58.07390	0.5
64.95524	0.3
67.01852	0.4
68.99790	0.4
69.03426	0.8
69.07034	0.4
70.92792	0.8
72.20900	0.3
81.03394	0.5
81.07046	0.5
85.02880	1.7
85.06532	7.7
91.05436	0.3
97.02885	0.5
97.06551	0.3
109.02836	0.3
111.04424	0.7
124.29315	0.3
127.03900	20.7
127.07541	4.4
128.04254	0.4
133.10196	0.4
143.92783	0.3
145.04984	0.4
151.03899	0.6
153.01808	100.0
154.02141	1.6
165.05464	0.3
167.10628	0.6
169.04968	1.4
171.06499	0.3
179.03448	0.5
181.04932	1.1
181.06415	0.3
193.08652	0.3
235.09624	1.0
240.28461	0.3
253.10689	73.8
254.11070	2.1
371.07614	0.6
415.09753	1.4
415.14783	0.5
415.22769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1591
Annotation	Hymenoside R
Peak:m/z	Relative Intensity
55.01861	8.6
55.05514	2.3
55.15216	2.6
57.03423	7.0
57.07064	100.0
61.02922	3.9
66.70805	2.3
67.05484	3.9
67.30820	2.4
67.45992	2.1
68.05435	2.1
68.99769	6.5
69.03413	14.3
69.61037	22.9
71.04987	2.6
71.34339	2.2
73.02913	3.3
79.05449	3.5
81.03403	4.8
81.07036	7.9
85.02892	30.1
85.06509	14.1
91.05458	3.9
95.04947	7.1
97.02889	9.2
103.03917	5.9
107.04952	3.6
107.08611	4.5
109.02882	4.9
109.06501	3.0
119.08532	3.3
121.02818	6.1
121.06495	3.0
123.04443	21.6
127.03882	6.0
127.07551	21.4
131.08574	5.0
135.04398	3.3
137.05917	3.6
139.03893	20.1
145.04909	6.1
147.04375	4.8
151.03877	34.4
153.01823	29.2
159.11703	3.3
163.03882	16.8
165.01811	24.4
165.05484	9.7
169.04990	3.8
175.03960	6.1
175.14471	2.4
176.37369	2.5
177.01845	26.7
177.05367	4.9
179.03349	6.0
181.04944	11.7
183.02873	11.4
189.05417	8.5
191.03394	20.1
193.04927	41.1
195.02852	69.8
205.04936	34.6
205.08516	2.9
207.02872	4.5
217.04955	19.4
217.08624	3.7
219.02858	61.1
221.04396	3.8
231.02838	8.5
231.06487	2.7
235.06056	10.4
235.09679	9.5
243.02901	3.6
247.05995	10.1
247.09648	37.1
249.03934	8.0
259.05963	4.7
259.09613	23.6
261.03970	24.2
265.10620	17.8
277.10666	81.2
277.13712	4.6
279.05014	10.2
283.06055	4.1
295.11655	24.5
297.06073	11.2
301.10657	14.6
305.88171	2.7
319.11777	35.3
325.06918	8.1
331.11685	38.4
343.11893	12.7
361.12823	34.1
371.07565	36.8
379.13699	25.8
397.15018	11.3
415.10043	21.2
415.15570	10.3
415.23251	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	415.1012
Annotation	Prodelphinidin B6
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	1.9
55.05497	2.5
65.03914	0.5
67.05493	0.9
68.99789	2.4
69.03419	100.0
69.07066	0.6
70.03759	1.1
71.04996	0.8
71.54894	1.0
72.16360	0.5
75.23299	0.6
77.03936	0.8
79.05486	2.0
81.03397	1.1
81.07019	0.6
81.92278	0.6
83.04969	9.3
85.02899	2.2
91.05484	1.1
93.07053	1.2
95.04960	2.5
97.02885	1.2
97.06551	0.6
99.04419	0.8
103.05486	0.8
105.01852	0.6
105.03407	1.3
105.07013	1.3
107.04947	4.4
109.02894	1.1
109.06519	0.6
109.10182	0.6
111.00797	0.8
111.04433	14.0
111.05174	1.1
113.05987	0.6
115.05458	0.8
119.04954	1.0
121.02866	1.1
121.06509	0.8
123.04412	45.0
124.04766	0.7
125.06013	1.1
127.03909	1.4
129.06985	1.3
131.04909	0.9
133.02876	1.6
135.04399	12.0
137.02310	3.1
137.05974	1.3
139.03871	3.5
141.01834	1.0
145.04993	0.6
147.04439	2.1
149.02356	2.2
149.05991	1.3
151.03943	2.5
153.01801	9.1
153.05377	0.8
157.06616	0.5
159.04459	1.2
161.02348	3.7
161.05994	2.3
162.09253	0.5
163.03886	2.8
165.01819	11.5
167.03568	0.7
169.06554	0.5
171.04451	0.8
173.02385	2.0
173.06013	1.0
175.03891	2.8
175.07594	0.6
177.01822	8.4
177.05499	2.2
178.99728	0.6
179.03368	4.5
181.06491	0.6
183.02878	7.9
183.04398	0.6
185.05977	1.0
187.03940	1.3
189.01878	2.4
189.05450	2.5
191.03406	2.7
193.04938	1.8
195.02858	2.9
197.00827	2.8
197.06046	1.3
199.03993	1.6
199.07568	0.9
201.05571	0.8
203.03371	8.8
205.01347	1.1
205.04933	1.0
207.02951	2.2
209.06168	0.7
213.05540	1.8
215.03464	2.3
217.04935	5.4
217.12251	0.6
219.03012	3.2
219.06490	6.9
221.04370	4.1
223.02361	1.3
227.07060	1.0
229.04961	1.0
231.06494	1.4
235.13422	0.7
235.16937	1.3
237.05656	1.0
237.07660	0.8
239.07072	0.7
241.05043	2.2
243.06610	0.7
245.04416	15.5
247.06085	2.2
249.09334	0.6
251.07114	0.6
253.05046	0.9
253.18037	0.6
255.06471	3.9
257.04553	2.2
258.05304	1.1
259.06113	2.3
261.04095	0.9
263.05453	17.4
269.04739	0.9
269.08228	0.8
271.06033	5.1
273.07736	1.1
277.08682	0.8
279.06766	0.7
281.08228	0.8
283.06012	6.6
287.05484	3.5
295.06302	0.9
295.09698	1.3
297.04694	0.6
297.07507	3.4
299.05518	7.0
301.07050	0.7
309.07648	2.0
311.05447	10.8
315.05188	1.5
317.06558	3.1
323.09061	5.8
325.06989	7.3
327.08731	2.2
329.06699	1.3
331.04733	0.9
337.07117	2.3
339.05212	0.7
341.06741	0.9
341.10388	2.5
351.08539	8.7
353.06668	2.2
355.08170	1.5
357.06235	0.9
369.09634	14.6
371.07437	2.6
379.08121	6.8
387.10745	4.6
397.09122	17.0
398.09537	0.9
415.09988	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97313	0.7
56.02044	0.7
56.96558	30.4
57.03436	0.8
57.07085	1.1
69.03437	1.8
69.07065	1.8
69.84050	0.8
70.06569	1.0
71.80341	1.2
74.97611	1.1
76.46342	0.7
81.03391	1.1
84.96025	10.8
85.02895	3.8
86.09675	2.0
91.05432	1.5
97.02883	3.0
98.97574	42.9
99.04480	0.9
102.97058	2.7
106.62773	0.8
107.04948	0.9
110.97559	9.2
112.99136	1.9
116.98611	37.9
117.03358	1.5
119.04939	1.1
123.04473	0.9
124.99194	1.0
126.06744	0.8
127.03925	0.9
128.98590	18.7
130.08659	1.5
131.00151	3.6
134.99637	22.3
135.04433	2.9
135.08044	0.8
140.00223	1.4
140.98592	2.3
143.00143	6.4
144.98036	1.8
145.02824	1.8
146.99635	20.5
147.04390	6.4
149.01224	3.6
152.98586	2.4
153.00679	2.5
153.01849	1.0
158.01187	1.3
158.99660	7.8
161.01208	24.9
162.99150	2.8
163.02682	0.6
163.03877	14.9
164.04280	1.6
165.00690	3.4
165.05498	1.6
167.02257	0.9
170.99632	8.1
173.01176	1.0
174.04337	1.0
177.00674	12.5
179.02254	6.3
184.02863	1.2
185.01216	5.7
186.04395	1.7
189.00664	7.8
192.98143	1.4
195.01770	2.2
198.99187	2.3
201.00677	6.4
203.02237	9.8
204.05487	1.6
205.08662	1.3
206.08971	1.0
207.01723	1.3
210.99132	5.4
213.00691	4.1
217.00008	1.0
219.01727	29.6
220.02345	0.9
223.09814	1.3
224.09833	1.0
225.00626	1.2
227.02286	2.8
229.00180	31.9
231.01733	1.4
235.02806	1.1
237.02788	52.4
242.03372	2.3
245.03419	0.9
247.01202	18.3
252.01895	1.8
253.00252	2.6
253.03857	0.9
255.03914	2.9
260.04407	3.4
270.02722	1.5
271.01251	5.1
271.03922	0.9
275.02396	1.0
279.01724	1.4
283.01108	1.2
284.12463	1.3
288.16885	1.0
289.00064	1.8
295.01279	2.9
297.02740	4.2
307.01196	4.2
313.02313	2.7
315.03983	1.7
325.02286	2.3
335.99817	0.8
337.02228	3.9
342.08826	1.0
344.97922	1.1
346.20773	1.5
355.03290	31.7
355.07706	1.5
356.04077	1.2
360.10034	0.8
373.04376	100.0
374.04828	2.4
391.05438	6.5
396.05948	7.1
415.05170	11.5
432.99268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
57.07056	3.8
67.05492	2.7
68.57754	1.0
69.03413	1.6
69.07061	20.8
70.07384	5.5
71.04984	3.2
71.08625	1.1
71.81869	1.5
76.92384	0.9
79.05490	3.2
79.18749	0.9
81.03428	1.4
81.07037	8.4
82.07370	3.7
83.01330	2.4
83.04974	4.2
84.05285	1.1
89.06016	1.7
91.04988	0.9
91.05452	5.5
93.07021	10.3
94.07354	3.9
95.04947	1.3
95.08607	4.8
96.08923	1.9
97.10163	1.3
105.07017	4.1
106.07347	1.7
107.08576	12.0
108.08929	5.9
109.02861	1.5
109.06520	2.6
109.10155	4.2
110.10465	1.4
113.05985	1.0
117.06981	0.9
119.08581	3.3
120.08908	1.0
121.06474	4.1
121.10139	3.0
122.10435	2.1
123.08038	1.1
123.11680	19.9
124.12019	11.0
127.03924	1.7
131.08578	1.1
132.08853	1.1
133.10152	2.9
134.10442	2.1
135.08081	1.7
135.11685	16.5
136.08418	1.1
136.12009	10.4
137.05965	3.5
137.09590	2.1
138.06273	2.3
138.09898	1.1
141.15892	1.0
145.10135	2.3
146.10585	1.3
149.05986	1.0
149.09621	1.5
150.09953	1.7
153.05417	6.8
153.09074	1.8
154.05824	2.9
154.09477	1.1
159.08035	3.1
159.11803	1.7
160.08458	1.7
163.07431	2.7
164.07901	1.8
165.05453	100.0
166.05798	52.6
167.05913	1.7
173.09576	1.4
174.09906	1.0
174.13620	1.0
177.05505	1.0
177.09148	4.9
178.09467	3.3
179.07001	2.1
180.07336	1.6
187.07507	1.4
191.07010	0.9
193.12334	1.0
195.02901	3.4
196.03229	1.2
203.06996	2.0
204.07359	1.1
205.08569	16.1
206.08934	16.0
208.09430	1.4
209.11800	3.2
210.12054	2.0
211.09514	1.2
212.09973	1.3
217.08641	1.4
218.08853	1.9
219.09966	1.3
220.10510	1.9
221.11703	47.4
222.12025	50.7
223.09613	25.2
223.11960	1.5
224.09953	21.7
225.10294	2.9
226.10275	1.5
232.10564	2.1
235.09802	1.1
245.11369	1.0
255.06606	1.2
256.06873	2.3
259.13284	1.3
260.13318	1.0
269.15207	1.1
270.15698	2.1
271.15424	3.3
274.14960	1.3
275.16406	1.6
276.16788	2.3
279.16016	1.1
280.16238	1.2
287.16397	22.6
288.16718	52.4
289.17090	1.9
291.15829	11.8
292.16214	23.1
293.13882	1.5
326.18405	1.4
326.21988	2.8
328.19199	3.8
342.21542	1.1
343.22647	3.8
344.19296	1.7
344.22961	21.5
345.19724	7.4
346.20627	21.3
357.20609	3.6
358.20920	18.1
370.47568	1.0
378.17865	3.1
378.24402	1.5
396.25732	4.5
414.27121	42.5
415.27835	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98636	0.4
56.96273	0.4
56.96555	8.8
63.20346	0.2
68.31490	0.2
69.03431	0.3
70.36623	0.7
71.95245	1.3
97.02888	1.7
98.97566	61.0
99.97910	0.7
113.03485	0.7
116.98603	57.3
117.98947	0.5
119.01877	1.0
130.93280	0.7
134.99637	32.1
136.00027	0.3
140.00139	1.4
153.00676	4.0
154.93335	0.3
158.01241	1.3
166.43341	0.2
172.94348	2.3
177.00917	1.2
190.95367	4.1
197.95036	0.6
208.96449	2.0
214.95346	1.6
219.02017	1.6
220.02155	0.6
230.98578	0.4
232.96397	6.6
234.99837	0.4
241.94118	0.3
243.02002	0.4
250.97491	4.7
256.96387	14.4
257.96649	0.5
258.99808	1.7
259.99948	0.4
260.99930	0.3
261.03003	4.8
262.03174	1.2
263.02835	1.0
270.91565	0.3
272.94385	0.4
273.99158	0.4
274.97461	100.0
275.97769	1.8
277.00842	2.7
278.00970	0.7
279.00638	0.3
282.99893	0.8
288.92044	0.5
288.99146	0.3
290.95319	0.4
291.95770	0.3
292.98517	70.0
293.98889	1.6
294.98999	0.3
297.99097	4.3
301.01059	0.9
302.00940	0.4
303.00696	0.4
310.99512	0.9
316.00165	2.4
318.95377	0.3
330.93341	0.3
354.93552	0.4
357.92996	0.3
370.91589	0.3
378.93420	0.6
379.95212	1.5
380.45267	1.4
380.95111	1.8
388.95569	0.9
389.41513	0.5
389.45837	0.6
389.95795	1.0
396.94531	0.9
397.94724	0.4
400.95755	0.5
401.45807	0.4
401.95883	0.3
410.88879	0.3
414.95370	5.4
432.96411	9.0
439.95926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
54.70541	1.4
55.01873	6.6
55.98464	1.1
56.52719	1.3
57.01912	1.3
57.03426	16.4
57.07074	1.7
59.27579	1.2
61.02917	14.5
62.02359	1.1
68.99773	1.5
69.03424	29.9
69.07051	1.8
70.06597	1.7
71.01345	2.8
71.04976	2.3
71.81996	2.3
73.02910	60.4
73.64376	1.1
79.05476	1.4
81.03410	6.4
81.07054	1.8
85.02897	100.0
87.04451	4.3
91.03944	4.8
91.05437	2.3
95.04981	1.5
97.02885	47.0
99.04415	6.3
105.07020	1.6
107.08542	1.3
109.02871	10.7
111.11580	1.3
115.03918	24.0
123.04440	1.8
127.03905	31.6
130.05034	1.5
133.04956	29.0
137.05957	2.2
139.03893	2.3
145.04941	56.1
145.10188	1.5
150.07599	3.6
151.03911	1.7
153.01787	4.0
163.03867	1.6
163.06010	25.4
165.05385	2.0
169.04869	1.7
177.05431	1.5
193.04979	1.6
195.02910	1.9
199.07480	1.2
205.04825	1.8
205.08655	2.3
207.15837	2.2
217.05031	1.8
217.06938	1.8
219.02914	2.7
223.06050	5.9
224.09921	1.7
241.06953	7.3
259.08072	7.0
262.10745	2.4
265.16464	5.2
273.11292	1.6
277.10797	2.0
284.70029	1.2
295.10229	2.4
299.66867	1.7
311.87015	1.2
325.06995	1.9
346.20673	2.1
371.07599	13.1
375.62186	1.3
397.16394	3.6
407.23953	1.8
414.22055	1.6
415.05231	1.5
415.09991	7.1
415.18396	2.2
415.23523	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	414.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
57.03423	0.9
61.02919	1.0
67.05492	5.8
69.03424	2.1
69.07057	1.4
70.54031	0.9
70.54431	1.8
71.04983	57.1
72.05339	0.7
73.02910	0.9
74.47401	0.7
77.03928	0.8
79.05476	1.6
81.03410	2.0
81.07041	0.9
85.02892	7.9
93.07056	0.8
95.04955	7.8
95.08570	0.7
97.02869	2.7
99.04372	0.9
105.03380	100.0
105.07018	1.1
106.03716	1.0
107.08561	1.0
109.02870	0.8
113.05991	82.2
114.06310	1.6
123.04418	2.6
123.11727	0.7
127.03889	1.3
145.04933	1.7
166.79597	0.7
180.08649	1.4
199.14757	1.1
201.16293	1.0
217.08551	11.1
223.09763	1.0
224.10004	0.7
235.09621	24.1
255.79675	0.6
414.21735	1.2
415.09985	2.8
439.18359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31237	2.0
55.01860	4.4
57.03431	42.0
59.04992	5.9
59.69474	1.8
60.04512	3.8
61.02912	9.0
65.53493	2.8
66.74253	2.1
69.03425	80.9
70.06609	2.4
71.01351	4.3
71.68507	5.6
73.02518	4.3
73.02908	57.1
73.06535	7.1
81.03393	4.5
85.02896	80.6
85.06509	2.6
86.09702	2.9
87.04458	46.3
87.72158	2.1
91.03961	2.9
97.02884	84.4
99.04470	4.7
104.44692	2.1
109.02858	5.0
113.74123	2.4
115.03921	100.0
116.67200	2.1
120.08120	2.8
126.22190	2.0
127.03891	18.6
133.04948	91.8
144.06537	6.9
145.04929	35.3
149.11728	4.3
150.07585	10.3
162.07616	4.9
163.05984	12.6
165.05469	2.1
180.08693	6.7
220.07100	3.3
223.05978	5.1
224.09988	2.5
241.07181	5.7
259.08176	5.2
265.12869	3.0
294.11798	3.1
295.10294	6.3
346.20578	2.1
408.59323	2.1
414.14984	4.9
415.15659	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	413.2682
Annotation	Robustol
Peak:m/z	Relative Intensity
50.79107	0.7
53.03923	1.1
55.05498	3.0
56.71795	0.8
57.07064	3.1
58.16552	0.8
65.03918	1.0
67.05489	5.4
67.39778	0.7
69.03406	1.8
69.07058	9.3
69.68127	6.8
71.04987	13.8
79.05487	3.3
81.07047	20.0
83.01334	2.3
83.04504	1.7
83.04973	20.9
83.08646	1.0
85.67113	0.9
87.73338	0.8
91.05472	3.7
93.07035	11.5
95.04954	1.9
95.08587	6.2
97.06543	1.1
99.08089	1.4
105.03360	1.9
105.07020	5.2
107.08582	12.3
109.06512	4.3
109.10140	8.2
113.05988	4.3
119.04900	0.9
119.08595	3.9
121.06506	3.9
121.10135	5.5
123.04429	2.2
123.08083	1.3
123.11694	71.1
124.12008	1.3
131.08553	1.8
131.51547	0.9
133.06471	1.4
133.10107	5.5
135.08076	2.4
135.10643	1.2
135.11679	22.7
135.12650	1.7
137.05959	26.3
137.09593	2.2
139.03902	2.0
141.05450	1.1
142.07732	0.9
147.08049	1.7
147.11687	3.0
149.05960	1.0
149.09608	2.7
151.03911	0.9
151.07544	1.9
151.11189	1.1
153.05438	12.1
153.09097	1.9
155.07014	2.9
155.08492	0.9
157.10136	2.7
159.07962	1.2
159.11633	2.1
161.06038	0.9
161.09631	2.0
163.07500	1.4
165.05457	24.8
165.09102	3.2
167.10635	2.1
171.11696	1.0
173.09715	1.0
175.07527	1.4
175.11179	4.9
177.09099	5.8
179.03432	1.9
179.07053	7.2
179.10660	9.9
181.08533	0.9
187.11195	1.0
191.07002	1.5
191.14371	1.2
193.08650	1.5
193.12225	2.7
195.10158	7.2
195.11673	1.2
201.16324	0.9
203.07068	1.5
203.10646	7.0
205.08598	13.5
205.12010	1.1
209.11720	3.1
221.11700	33.7
223.09615	21.1
224.09850	0.8
225.10139	0.8
225.12697	1.1
231.10197	3.1
235.13167	0.8
243.13838	2.5
249.14851	0.9
251.14145	0.9
251.93694	1.1
255.13837	0.9
257.08026	1.3
259.13242	1.4
263.16418	1.1
269.18796	0.9
273.07559	1.2
273.14856	2.2
275.16547	2.3
279.15924	1.1
287.16400	28.4
287.19540	1.2
288.16663	1.5
291.15878	7.2
295.16943	2.1
301.21609	1.5
307.20370	1.2
313.17975	3.9
325.21497	4.8
327.19254	2.2
343.22647	98.3
344.23175	4.1
345.20563	16.5
346.20935	1.2
357.20660	5.1
377.24692	2.4
395.25781	8.1
396.26248	1.1
413.26834	100.0
414.27267	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	413.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94088	3.6
60.51432	2.9
65.71885	2.6
69.07065	32.2
73.33496	2.7
80.02072	2.9
81.07072	5.4
91.77703	3.0
93.07041	8.3
98.21517	4.3
102.63686	2.7
107.08606	8.6
121.06573	4.1
121.10137	2.9
123.11729	16.2
135.11688	19.3
138.70433	3.1
149.09631	5.1
153.05495	6.6
159.08046	5.0
162.06744	4.5
163.07544	8.7
165.05475	64.5
169.48470	2.9
173.05399	3.1
177.09142	12.6
177.59772	3.5
179.07089	5.1
187.07541	4.0
194.01918	2.7
196.94987	4.3
203.29066	2.7
205.08578	74.7
219.10201	7.3
221.11653	16.2
221.98389	4.3
223.09636	100.0
225.19049	3.8
235.09741	3.3
235.15372	3.5
287.16382	57.3
291.15775	5.0
343.22748	9.0
345.20569	72.2
346.20792	3.9
357.20569	11.4
376.94720	3.1
413.26965	12.2
413.32394	34.3
434.84933	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	413.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.6
57.07071	1.5
67.05484	5.4
69.06695	3.1
69.07058	49.3
69.07434	2.7
70.06277	1.5
71.04993	4.4
74.94452	1.4
79.05475	4.3
81.07039	13.6
83.01334	4.4
83.08619	2.1
91.05468	6.8
93.07024	15.1
95.04971	1.9
95.08588	12.6
97.10168	7.5
105.07050	8.3
107.08582	20.0
109.02846	2.1
109.06490	3.6
109.10129	5.1
113.05975	4.4
113.09624	13.3
119.08562	5.7
121.06462	4.0
121.10123	8.5
123.08057	1.6
123.11701	39.1
131.08548	4.4
133.10109	11.6
135.08023	6.2
135.11673	28.4
137.05942	5.7
143.08601	1.9
145.06421	1.9
145.10085	4.7
147.07912	1.8
147.11670	3.6
149.09622	6.7
149.13335	1.8
153.05466	9.1
153.09077	2.6
154.95256	1.4
157.10120	5.2
159.08046	7.3
159.11659	4.2
161.09612	11.1
161.85759	1.6
162.06760	3.9
163.07529	8.3
165.05460	100.0
166.05745	1.9
169.10124	1.9
171.08072	3.0
171.11723	2.0
173.09683	1.5
173.13277	1.8
175.07510	4.6
175.11137	3.2
177.05569	1.7
177.09084	11.3
179.07053	4.8
183.11707	4.5
183.83096	1.6
185.09570	4.1
185.13254	2.2
187.07529	4.1
187.11174	4.3
187.14815	2.0
189.05464	4.4
189.09077	3.3
191.07060	2.1
191.10555	1.5
192.39717	1.7
193.08582	3.9
193.10275	1.7
195.11688	2.8
197.13322	2.4
199.11234	2.2
199.14754	1.6
201.12744	2.8
203.07051	5.0
203.10686	6.1
203.68410	1.5
205.08574	62.3
209.09630	1.6
211.09618	5.4
211.11351	2.3
213.09062	4.0
213.12759	1.4
217.08531	2.3
219.10049	3.3
221.11681	47.5
223.09627	94.6
224.09984	2.4
225.08952	1.9
225.12729	1.4
225.16307	2.0
227.10645	3.9
227.14339	3.1
229.12128	2.8
231.10159	3.8
235.11156	1.9
239.10851	2.5
239.14432	2.0
245.11679	2.4
245.15410	3.6
251.14360	2.6
253.12190	4.7
253.15897	2.2
255.13785	9.4
257.15274	1.8
259.13312	2.2
265.15625	1.6
267.13950	1.9
269.15353	7.6
271.13309	4.0
271.16992	2.2
273.14844	15.8
275.16458	2.3
281.15323	3.1
283.20734	3.0
285.14764	2.5
287.16397	71.8
288.16681	1.9
291.15796	13.3
293.15466	2.2
299.16275	4.4
301.21475	3.4
307.17270	1.8
307.20541	5.1
309.18527	4.0
311.16391	1.9
321.18130	2.1
323.20117	1.7
325.21698	11.1
326.18646	2.1
327.19553	20.1
339.19476	3.6
343.18787	3.8
343.22653	37.0
345.20529	32.0
346.21130	2.1
357.20563	11.5
359.23669	2.0
361.13599	1.7
367.26202	1.8
377.24640	9.5
395.25784	41.6
396.25711	1.9
413.21805	1.3
413.26782	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37967	0.9
55.05502	1.2
67.05517	1.2
69.07063	23.0
71.12617	2.4
71.40743	1.0
79.05480	2.3
81.07042	2.9
82.06466	1.0
83.01327	3.4
91.05455	2.9
93.07034	13.9
98.90211	1.0
105.07021	1.7
107.08580	16.1
109.06500	2.7
109.10130	2.0
119.08546	1.6
121.06484	3.3
123.11685	10.9
131.08580	1.9
135.08096	4.8
135.10638	1.4
135.11676	25.1
137.05942	4.1
140.90347	1.1
149.09598	4.1
153.05449	5.5
159.07999	5.7
162.06772	5.4
163.07523	8.4
165.05458	79.1
166.05704	1.6
177.09096	13.7
187.07507	4.4
191.06976	1.6
193.08588	2.3
203.07027	1.0
205.08575	65.4
206.08971	1.9
211.09666	5.2
219.10121	2.1
221.11713	12.9
223.09631	100.0
224.09981	3.1
251.87398	1.1
270.24866	1.3
279.15942	2.2
287.16388	72.2
288.16751	4.1
291.15869	4.3
327.19464	2.9
343.19070	1.9
345.20566	51.4
346.20920	2.9
357.20557	9.7
413.26816	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06721	1.0
67.05490	2.7
69.03417	2.2
69.07059	36.7
69.94781	6.1
69.95209	2.1
74.94955	1.3
79.05475	3.3
81.07044	4.7
83.01331	4.3
89.46395	1.2
91.05449	3.0
93.07027	14.0
95.08598	1.6
105.07033	2.5
107.08582	16.5
109.06541	1.4
109.10130	3.7
119.08561	2.9
121.06492	4.3
121.10142	2.0
123.11685	12.7
127.03925	1.4
131.08556	2.3
135.08018	4.3
135.11671	29.8
137.05966	3.5
147.04366	1.3
149.09596	4.2
153.05461	8.5
159.08009	4.6
162.06709	3.1
163.07512	10.2
163.87654	1.1
165.05455	75.1
177.09084	15.8
179.07042	9.2
187.07561	4.5
191.07002	3.0
191.10637	1.6
193.08641	3.2
203.06947	3.2
205.08572	74.1
206.08867	1.5
211.09633	5.2
219.10056	7.3
221.11700	14.8
223.09622	100.0
223.80380	1.1
224.10043	2.0
227.76408	1.2
231.10143	4.8
237.11235	5.5
243.10175	3.1
243.13553	1.2
261.11182	4.2
269.15265	1.4
271.13336	2.4
279.15866	2.9
287.16388	96.1
288.16791	4.3
289.14362	4.0
291.15805	4.0
318.16379	1.5
327.19489	5.3
343.18936	3.5
343.22672	3.9
345.20563	75.0
346.20724	2.8
357.20554	14.7
413.26938	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	413.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.07066	3.1
63.50307	1.3
67.05479	4.2
69.07056	29.8
70.03267	8.8
79.05486	2.4
81.07047	27.4
83.01333	4.3
85.15311	1.4
91.05463	3.1
93.07039	6.7
95.08591	5.7
98.21349	1.9
107.08599	10.9
109.06503	3.8
109.10152	3.2
119.08561	2.2
119.26048	1.8
121.06477	3.5
121.10121	4.1
123.11691	100.0
131.08469	1.4
135.08105	3.3
135.11679	13.6
137.05946	4.0
139.03886	2.2
149.09610	4.9
153.05458	5.4
156.10568	1.5
159.08057	4.3
161.05899	1.6
162.06744	6.0
163.07530	9.5
165.05453	90.9
166.05841	2.3
177.09059	13.9
179.07018	6.6
187.07518	5.4
191.07054	1.8
201.09081	1.9
203.07047	3.4
205.08582	74.6
206.08891	2.0
217.08569	2.2
219.10236	4.2
221.11694	20.9
223.09625	98.9
224.09941	1.6
229.08633	3.5
231.10043	2.9
243.10181	3.7
245.11678	1.5
247.09721	2.9
261.10916	1.9
287.16394	85.7
288.16672	4.3
291.15808	10.2
305.91550	1.5
327.19489	2.8
343.18961	2.9
343.22681	9.0
345.20560	88.3
346.20801	5.2
357.20547	12.9
413.26926	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29520	0.8
67.05508	1.3
69.07064	26.5
69.25373	1.0
69.32930	0.8
71.81102	1.7
79.05483	2.2
81.07051	2.9
83.01350	3.7
91.05473	4.2
93.07030	9.8
105.07015	2.2
107.07890	1.7
107.08571	15.1
109.02872	1.1
109.06512	2.5
109.10165	2.3
119.08602	1.5
121.06513	2.9
123.11696	13.1
127.03924	1.2
131.08582	2.3
133.10170	1.1
135.08052	3.6
135.11673	25.5
137.05983	3.9
149.09668	4.3
153.05473	5.3
159.08057	4.1
162.06758	3.7
163.07526	8.1
165.05466	76.2
177.09077	12.9
180.14845	1.1
187.07556	2.6
193.08583	2.2
205.08583	64.1
206.09131	1.3
211.09583	4.6
219.10167	2.0
221.11700	11.8
223.09631	100.0
224.10258	1.0
252.93924	1.0
279.15982	2.5
287.16394	77.8
291.16061	4.3
295.94006	1.3
327.19623	2.5
343.18967	1.9
345.20593	49.5
357.20493	11.8
357.24484	1.3
413.26868	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	413.2681
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03935	0.4
55.01862	0.4
55.05490	0.4
57.07060	0.4
67.05485	0.8
69.03425	0.6
69.07058	22.4
70.08981	0.8
70.09396	1.1
71.04999	0.8
79.05479	1.6
81.03390	0.5
81.07048	2.2
83.01324	3.8
90.27456	0.3
91.05470	1.6
93.07029	5.3
95.08591	1.1
98.21392	0.3
105.06995	1.1
107.08584	5.6
109.02862	1.1
109.06492	1.7
109.10161	1.7
117.06960	0.4
119.08585	1.0
121.06493	2.7
121.10120	1.0
123.11687	9.6
127.03832	0.5
131.08569	1.8
133.10072	0.6
135.08046	3.1
135.11670	10.4
136.11922	0.3
137.05937	2.8
145.06493	0.5
145.10085	0.3
147.11673	0.4
149.05948	0.7
149.09605	3.7
153.05421	4.0
159.08051	4.3
161.06053	0.7
162.06725	4.0
163.07523	7.2
165.05458	58.3
166.05807	0.8
173.89793	0.4
175.07536	0.6
177.05489	1.2
177.09091	12.6
179.07050	0.8
187.07512	3.8
187.11150	0.8
189.09059	0.5
190.06157	0.6
191.06996	0.8
191.10751	0.4
193.08539	1.3
203.07011	2.7
205.08575	56.0
206.08871	1.0
207.10001	0.4
211.09598	2.7
217.08600	0.5
219.10120	1.2
221.11707	19.3
222.11958	0.8
223.09621	100.0
224.09998	2.5
231.10185	1.2
245.11729	0.6
257.15350	0.4
259.16934	0.4
269.15289	0.9
273.14789	0.5
275.16330	1.0
287.16376	43.5
288.16629	1.8
291.15881	5.7
323.39432	0.4
325.21606	2.2
327.19592	1.6
341.20917	1.0
343.18872	1.5
343.22629	8.9
345.20544	31.4
346.20956	2.6
357.20569	6.0
413.26788	7.0
414.27075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.03395	0.7
67.05492	1.5
69.03418	1.1
69.07060	27.1
70.36453	2.1
70.36871	1.7
78.39391	0.8
79.05482	2.0
79.06586	0.7
79.55442	0.7
81.07035	1.9
83.01339	2.1
88.67823	0.8
91.05469	1.2
93.07027	6.6
95.08573	1.1
99.51516	0.7
107.08556	4.0
109.06469	1.4
109.10122	2.7
113.05988	2.3
119.08606	0.8
121.06487	3.2
123.04377	0.7
123.11654	1.4
133.06500	1.0
135.08028	2.2
135.11671	5.4
137.05956	0.9
149.09602	2.3
153.05441	2.2
159.08012	1.8
162.06789	1.6
163.07562	3.8
165.05475	5.7
173.09669	1.8
175.07500	1.1
176.08347	1.9
177.09105	7.2
179.07022	6.9
185.09518	0.8
187.07591	1.1
191.07022	5.3
191.10648	4.8
192.07793	3.7
193.08549	3.3
201.09096	2.3
203.07092	2.2
204.07779	1.0
205.08578	28.1
211.09593	1.7
217.08586	3.0
219.10149	21.5
223.09615	23.3
229.08504	1.1
231.10173	2.4
235.09656	1.0
237.11198	17.6
240.68460	0.8
243.10109	4.2
245.11720	0.7
256.10684	0.9
257.11508	1.0
261.11197	8.3
271.13318	6.7
275.12872	1.0
287.16373	25.0
288.16531	0.8
289.14331	11.3
301.21481	0.7
327.19495	8.2
341.21106	0.8
343.18979	3.5
345.20566	100.0
346.20853	4.3
357.20691	4.0
358.79865	0.8
413.26767	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	413.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05496	2.1
55.93542	0.9
65.03954	0.9
67.05477	3.3
69.03416	1.9
69.06705	1.6
69.07058	26.9
70.97714	2.5
70.98044	0.9
71.04978	1.5
74.87329	0.9
79.05475	3.5
81.07051	9.6
83.01324	3.6
88.04057	0.8
91.05471	3.0
92.00185	1.1
93.07038	14.3
95.04949	1.3
95.08593	3.6
97.10136	1.3
105.07011	1.7
107.08593	7.8
109.02887	1.3
109.06516	2.1
109.10139	3.5
113.05963	1.0
119.08578	1.7
121.06504	2.7
121.10126	3.1
123.08073	1.4
123.11692	22.2
133.10080	1.5
135.08041	3.1
135.11679	15.8
137.05940	3.0
147.08052	1.3
149.05948	2.4
149.09599	2.7
153.05446	9.0
159.08011	2.1
162.06802	1.5
163.07521	5.1
165.05464	56.4
166.05803	1.2
175.07500	2.8
176.08351	1.2
177.05457	1.7
177.09103	7.2
177.12764	1.3
179.03439	1.4
179.07014	14.5
187.07520	3.1
189.05469	2.2
189.09076	1.3
191.06995	3.5
191.10699	2.0
192.07716	1.5
193.08646	5.6
197.04410	1.6
201.09081	2.0
203.07028	5.5
205.08583	35.8
206.08920	2.7
209.11719	1.2
211.09583	5.2
215.10683	3.5
217.08571	4.5
219.10150	9.4
221.08151	10.9
221.11688	17.7
223.09612	41.2
225.03690	1.0
230.09351	1.1
231.10117	9.9
233.11705	3.2
237.11203	9.7
243.10202	12.3
243.13789	1.2
245.11639	3.0
246.08965	1.2
259.13290	1.8
261.11185	15.1
271.13281	2.8
273.14713	1.4
275.16422	2.6
287.16391	84.6
288.16809	3.4
289.14340	7.7
291.15897	6.2
327.19376	7.4
339.19449	1.1
343.18997	2.8
343.22720	16.1
344.19366	1.9
345.20563	100.0
346.20911	2.9
357.20544	20.1
395.25775	1.4
413.21722	1.5
413.26828	18.1
414.26526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.9
60.91782	0.9
62.05394	1.0
64.94162	1.1
66.68627	1.2
67.05497	2.4
67.09927	1.1
69.07056	10.0
71.79620	0.8
71.80065	1.2
79.05486	1.3
81.07050	14.9
83.01319	2.0
90.94080	1.1
93.07033	2.8
95.08600	2.5
98.18925	0.8
101.88020	1.1
104.47350	1.1
105.07028	2.0
107.08569	4.6
120.25002	1.3
121.06473	2.5
123.11692	83.2
124.11953	1.4
131.08525	1.1
135.08055	1.8
135.11671	7.1
149.09547	2.1
153.05443	2.0
159.08029	2.2
162.06685	2.1
163.07521	4.2
165.05475	11.4
177.09076	7.6
187.07501	2.5
205.08578	41.1
217.08517	3.6
221.11696	2.6
223.09636	59.5
229.08557	2.7
235.09650	2.4
243.10181	2.6
247.09683	3.7
253.49229	1.2
261.11362	1.7
281.15421	1.1
287.16406	7.8
291.15842	3.7
327.19434	3.7
345.20572	100.0
346.20950	6.5
357.20395	3.1
396.91641	1.2
413.26901	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	413.268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36518	0.6
58.21797	0.6
67.05486	1.4
69.03417	0.6
69.07062	25.6
69.71774	4.9
79.05480	1.6
81.07044	1.8
83.01331	1.8
91.05449	1.9
93.07030	8.0
95.04945	0.9
95.08614	0.9
98.21432	0.9
105.07014	0.9
105.19019	0.6
107.08585	4.3
109.10134	2.4
113.05998	1.3
121.06472	1.8
123.11678	2.7
133.10141	0.7
133.77412	0.7
135.08023	1.7
135.11678	6.9
145.69342	0.8
149.09601	1.5
153.05440	2.5
159.08083	1.8
162.06773	0.7
163.07529	2.1
163.11195	0.8
164.08913	0.9
165.05467	5.4
173.09630	1.0
176.08310	0.7
177.05498	0.7
177.09074	5.0
177.12747	1.3
179.07010	3.4
187.07454	1.5
191.06955	3.2
191.10689	2.5
192.07846	1.7
193.08537	3.2
201.09088	0.9
203.06961	1.0
205.08591	22.5
206.08919	0.7
211.09583	4.3
215.06956	0.8
215.10756	0.9
217.08539	1.0
219.10182	9.1
221.11769	0.8
223.09622	24.7
224.09970	1.1
229.08682	1.2
231.10120	2.5
233.11732	1.1
237.11165	12.4
243.10190	3.5
243.13795	0.9
261.11124	8.1
262.11578	1.1
271.13232	4.3
275.16296	0.6
287.13190	1.0
287.16388	20.0
288.16754	1.9
289.14316	10.7
321.37863	0.6
327.19577	6.9
341.21075	0.8
343.15387	0.6
343.18924	3.6
343.22583	0.9
344.19293	0.8
345.20572	100.0
346.20905	9.3
357.20609	2.6
413.26639	3.1
414.27347	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89873	0.6
55.05491	1.2
57.07065	0.7
67.05480	2.9
69.03410	0.8
69.07058	29.4
69.07416	0.9
70.34109	3.0
71.04983	2.9
73.93767	0.5
79.05473	1.9
79.34944	0.5
81.07039	6.7
83.01338	3.3
91.05449	4.3
93.07025	8.2
95.04909	0.8
95.08581	1.9
96.30142	0.6
105.07005	2.8
107.08572	9.8
109.02854	1.7
109.06499	2.1
109.10140	4.4
111.11723	0.7
119.08565	2.9
121.06476	2.2
121.10139	3.0
123.07961	0.7
123.11685	21.3
127.03875	1.8
127.11275	0.7
129.06949	0.7
131.08537	1.2
133.06448	0.7
133.10091	1.8
135.08047	4.0
135.11673	17.1
137.05946	5.7
143.08580	1.3
145.06381	0.9
145.10085	1.2
147.07968	0.9
147.11661	1.0
149.05930	0.9
149.09576	4.3
150.59026	0.6
151.07478	1.3
153.05438	9.1
157.10129	0.7
159.08005	3.7
159.63216	0.7
162.06738	2.6
163.07520	7.2
165.05452	100.0
166.05772	1.9
167.07027	0.8
175.07529	1.2
177.05501	2.5
177.09084	11.6
179.03403	1.3
179.07063	2.5
179.10612	1.2
179.86237	0.6
181.08635	0.7
185.09488	0.9
187.07521	4.5
187.11201	1.8
189.05476	1.6
191.07025	4.8
193.08676	1.4
197.83174	0.7
201.09100	1.0
201.12747	0.9
203.07011	7.4
203.10599	2.1
205.08569	48.0
205.12251	3.1
206.08946	1.2
209.11717	2.1
211.09660	2.0
217.08566	2.5
219.10159	2.4
221.11696	60.1
222.12079	1.1
223.09610	72.4
224.09962	1.8
227.10600	1.3
231.10095	4.7
241.12173	1.0
241.15855	0.8
243.10245	1.0
245.11684	1.9
257.15289	0.7
259.13284	2.1
261.11285	1.1
269.15411	3.0
273.14835	1.5
275.16360	3.4
279.16003	1.1
287.16373	63.9
288.16519	1.7
291.15854	19.7
313.17862	0.7
325.21530	7.4
327.19397	1.5
338.92587	0.7
341.20651	0.7
343.19006	1.7
343.22601	28.0
344.19370	0.7
344.23050	0.8
345.20547	26.5
346.20944	0.9
357.20486	9.0
395.25754	1.7
403.77463	0.7
413.26804	32.5
414.27069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76530	0.2
55.01865	2.2
55.05486	0.6
55.47719	0.2
57.03428	2.1
57.06839	0.2
57.07066	2.0
65.03931	0.3
67.05500	1.2
67.05786	0.2
67.61235	0.2
67.94843	0.2
69.03410	0.4
69.07059	3.4
77.65966	0.2
79.05480	1.4
81.03401	0.4
81.07043	6.6
83.01318	0.2
85.06514	0.4
91.05465	2.3
91.08372	0.2
93.03423	0.2
93.07029	4.4
95.04941	0.4
95.08577	1.4
101.61420	0.2
105.07011	2.6
107.01287	0.4
107.04936	0.6
107.08575	5.0
109.02849	0.5
109.06496	0.8
109.10134	1.4
115.05425	0.5
117.06999	1.1
119.04923	0.6
119.08557	1.5
121.06468	0.7
121.10137	3.1
123.04404	0.2
123.08019	0.5
123.11687	14.8
123.29413	0.2
124.11986	0.2
128.05371	0.3
128.06177	1.5
129.06947	0.7
131.08533	1.7
133.06429	1.0
133.10117	2.0
135.04378	0.8
135.07036	0.4
135.08032	6.0
135.09052	0.3
135.11668	5.7
137.02322	1.2
143.08536	2.5
145.06468	1.3
145.10104	0.5
146.07237	0.4
147.04402	1.1
147.08028	1.7
147.11649	0.5
149.06000	0.2
149.09598	5.8
149.13185	0.4
151.03871	2.5
153.05420	0.4
153.06918	0.2
155.08551	0.2
157.06456	0.3
159.04333	0.3
159.07996	0.5
161.05948	2.7
161.09596	5.2
163.03860	2.7
163.07515	2.3
165.05452	2.5
171.08032	2.6
173.06020	0.3
173.09566	0.4
174.06708	1.2
175.03922	2.2
175.07520	12.0
176.08005	0.3
177.05412	0.5
177.09088	1.0
179.03345	1.7
179.07153	0.2
181.04935	0.3
187.07545	0.8
188.04633	0.3
189.05446	0.9
189.09073	11.9
190.09496	0.4
191.07025	0.8
193.04968	0.4
193.08588	0.3
197.04424	0.8
199.07506	3.7
202.06207	0.4
203.07021	0.2
203.10612	0.4
205.08566	6.6
205.10501	0.4
207.10150	2.0
209.08063	0.8
211.09694	0.3
213.12721	0.7
217.08566	100.0
218.08931	2.6
219.10117	0.9
221.11617	0.6
223.09612	8.0
224.10030	0.2
227.10553	0.2
229.08583	0.3
229.12123	0.2
231.10072	1.4
231.13753	0.2
235.09612	57.8
236.09947	1.5
237.11139	0.6
241.08580	0.3
243.10191	0.4
248.53864	0.2
249.11148	0.2
253.10703	0.6
255.09955	0.5
255.13963	0.2
257.11633	0.4
265.14346	1.6
271.13129	0.4
273.14810	9.3
273.71460	0.2
275.12921	0.3
276.12231	0.2
279.13351	0.2
279.15945	1.5
283.13290	0.8
287.16370	3.0
291.15860	67.8
292.16275	1.9
297.14987	0.3
301.14462	0.3
321.18597	1.0
329.20993	0.8
331.18832	0.3
339.19501	3.8
341.20905	0.2
345.20517	3.6
357.20541	74.4
358.20917	3.3
395.25854	0.5
413.13889	0.3
413.26794	13.0
414.14536	0.3
414.27121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00215	0.7
52.90367	0.5
53.00281	0.7
53.17553	0.5
55.05489	1.4
63.27720	0.8
67.05484	2.9
67.16711	0.6
69.03419	1.6
69.07059	37.4
69.94921	3.2
69.95332	1.4
71.04971	1.2
79.05466	1.9
81.07051	4.0
82.32777	0.6
83.01337	2.7
91.05464	3.1
93.07035	10.4
95.04945	0.8
95.08587	1.9
98.43528	0.7
105.07013	1.9
107.08578	10.4
109.02882	0.7
109.06477	1.8
109.10149	5.8
113.05980	1.3
119.08541	2.6
121.06527	3.1
121.10110	1.3
123.08050	0.6
123.11691	7.3
131.08521	1.6
133.10138	1.4
135.08029	3.6
135.11659	12.5
137.05943	2.5
147.08022	0.9
149.05981	1.0
149.09581	2.7
150.23003	0.7
151.07527	0.8
153.05440	6.8
159.08023	3.7
162.06685	3.5
163.07527	5.5
165.05453	45.6
167.07042	1.2
171.08005	0.7
173.09633	1.3
175.07605	0.8
176.08302	1.4
177.05432	1.1
177.09073	11.3
179.07014	6.6
181.08624	1.1
187.07547	2.7
187.11209	1.0
189.09029	1.1
191.07010	4.5
191.10635	2.5
192.07773	2.7
193.08583	3.4
201.09071	1.8
203.06992	3.8
204.07712	0.8
205.08574	48.7
206.08885	1.5
209.11757	1.5
211.09613	3.4
215.10634	1.8
217.08461	0.9
219.10115	12.0
221.11699	21.2
223.09627	55.0
224.10017	1.6
229.08766	1.1
231.10095	4.9
233.11719	1.4
237.11192	12.3
243.10156	5.8
243.13670	0.8
245.11711	1.4
255.13719	0.8
259.13339	1.2
261.11166	8.8
269.15475	0.7
271.13239	4.6
275.16418	2.0
287.16382	57.4
288.16748	2.3
289.14304	9.2
291.15845	5.3
325.21552	1.3
327.19559	7.8
343.18933	2.8
343.22665	9.9
345.20569	100.0
346.20984	3.6
357.20541	9.4
413.26758	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	413.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.2
62.95728	1.0
67.05479	2.0
69.06699	2.1
69.07055	32.2
69.76600	6.8
75.94995	1.0
79.05461	3.2
81.07012	2.4
83.01321	4.7
89.56912	1.0
91.05461	4.3
93.07021	12.8
95.04932	1.3
95.08621	1.6
98.21463	1.3
104.09290	1.0
105.07029	1.6
107.08573	17.4
109.06510	2.3
109.10141	3.3
113.05973	1.8
117.06982	1.0
119.04895	1.1
119.08605	1.5
121.06488	3.3
123.11696	10.5
131.08545	1.7
131.63693	1.1
133.10086	1.4
135.07999	4.5
135.11673	28.5
137.05940	3.2
145.10103	1.1
149.09608	4.6
153.05408	9.0
159.08055	6.2
162.06717	4.6
163.07510	7.4
165.05446	80.8
167.07036	1.6
177.09090	16.0
179.06956	7.0
187.07530	5.3
191.07014	2.1
191.10538	1.8
193.08575	4.1
203.07031	2.7
205.08566	76.7
209.11514	1.1
211.09669	5.8
219.10103	5.0
221.11688	14.8
223.09616	100.0
224.09964	2.5
231.10068	4.6
234.03857	1.1
237.11192	4.6
243.10207	2.0
261.11172	2.8
269.15433	1.2
271.13181	2.2
279.15738	1.1
287.16373	84.3
288.16638	3.2
289.14294	3.6
291.15741	4.9
327.19467	4.9
341.21130	2.1
343.18869	2.4
343.22626	3.7
345.20544	66.9
346.20834	3.3
356.16144	1.3
357.20505	14.0
383.54709	1.0
413.26740	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	413.2683
Annotation	Robustol
Peak:m/z	Relative Intensity
51.22952	0.6
53.00278	1.0
53.03904	0.9
54.57786	0.6
55.01842	0.9
55.05505	6.3
57.03393	1.4
57.07068	11.6
63.29445	0.7
65.03914	0.8
67.05495	10.5
69.03381	2.3
69.07059	6.5
71.04987	13.9
79.05472	5.2
81.03375	1.7
81.07047	22.4
83.01328	1.0
83.04970	23.2
83.08575	2.2
83.58459	0.6
85.02867	1.5
85.06491	1.9
91.05472	4.5
93.07040	10.2
95.04910	2.2
95.08032	0.8
95.08594	12.3
97.06490	1.0
98.21490	1.3
105.07004	5.9
107.04862	0.9
107.08578	10.2
109.06509	4.2
109.10143	14.8
113.05999	5.1
115.29940	0.7
117.06959	2.0
119.08566	10.7
121.02836	0.9
121.06505	3.8
121.10115	5.8
123.04384	2.1
123.07988	2.2
123.11692	68.5
124.12022	1.6
125.05917	0.7
127.07496	2.2
130.07719	0.7
131.08524	2.6
133.06448	1.8
133.10123	5.5
135.04407	1.0
135.07970	2.7
135.11684	16.6
137.02252	0.9
137.05954	24.1
137.09586	3.7
139.03831	1.8
139.11087	0.6
141.01802	0.9
142.07742	1.0
143.08533	1.5
145.10109	3.4
147.04378	0.8
147.08005	1.2
147.09081	0.7
147.11653	8.8
149.05884	0.8
149.09540	2.5
149.13290	1.5
151.03867	2.3
151.07466	1.9
151.11142	2.0
153.05450	13.6
153.09042	1.5
155.07031	3.8
155.08138	0.9
157.10086	2.7
159.08014	1.4
159.11653	3.1
161.05934	1.6
161.09576	2.3
163.07529	1.3
163.11090	1.9
165.05450	9.7
165.09079	1.6
167.10684	1.0
171.11627	1.3
173.09584	4.4
173.13101	1.2
175.11143	6.1
177.09097	2.2
177.12766	1.2
179.03397	11.8
179.06976	0.8
179.10651	11.1
181.10121	0.8
185.09521	1.6
185.13205	1.5
187.11119	2.3
187.14783	1.0
189.09100	0.9
189.12656	0.9
191.10484	0.9
193.12170	2.9
195.10037	0.7
197.04425	9.3
197.13315	1.2
199.14706	1.1
201.12733	0.9
203.10678	7.2
205.08524	1.3
205.12175	2.5
209.09862	0.7
209.11661	2.2
209.13342	0.8
211.14775	1.2
215.10565	1.3
221.11693	26.4
222.12071	0.8
223.09579	5.4
229.12137	1.0
231.13585	0.8
233.11565	0.9
235.13286	1.2
239.14299	0.9
241.15700	0.9
243.13788	0.9
249.14897	0.7
259.13513	0.8
259.16785	1.0
267.17487	0.9
269.18924	1.8
271.16696	1.0
273.04028	2.0
273.07553	16.3
273.14929	1.5
274.07895	0.7
275.16345	2.8
279.15707	0.9
283.20618	1.6
287.16400	3.5
287.20023	2.8
289.17889	0.9
291.15881	6.1
293.18918	1.1
299.16443	1.6
301.21649	2.3
311.19962	4.0
321.21686	1.0
321.46201	0.7
325.21515	2.3
327.19547	0.9
329.17377	1.1
329.21088	13.9
330.21277	0.7
339.19467	0.8
343.22641	89.5
344.10297	0.7
344.23026	3.3
345.20551	7.8
353.24881	1.0
357.01453	0.7
357.20526	1.0
367.26212	1.1
371.25671	2.3
377.24759	1.8
395.14636	2.2
395.26001	7.9
413.22595	3.8
413.26840	100.0
414.27127	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	413.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	8.1
55.01849	5.3
55.05492	9.6
57.03408	10.7
57.07058	2.8
59.05001	2.7
59.71667	3.5
67.05492	27.3
68.99772	3.1
69.03423	26.8
69.07059	22.3
71.00304	3.8
71.00636	5.2
71.04967	9.7
75.58736	2.6
79.05479	19.1
81.03403	32.6
81.06607	3.3
81.07045	44.1
83.04973	14.9
83.08598	5.7
85.02880	8.6
85.06535	4.2
86.76593	3.0
91.05465	18.7
93.07030	33.3
95.04936	9.4
95.08601	16.8
97.02882	14.7
97.06483	5.8
99.04401	9.5
103.03898	3.4
105.06998	20.3
107.04922	4.3
107.08577	28.6
109.02859	8.4
109.06465	9.4
109.10120	10.9
111.04412	5.6
117.07011	5.4
119.08546	12.2
121.06457	10.5
121.10126	25.7
122.10917	9.4
123.04434	5.7
123.08050	4.2
123.11687	35.6
125.02329	5.4
125.05959	3.5
127.03862	7.3
129.06979	3.0
131.08525	10.4
133.10143	13.1
134.10889	4.1
135.08035	5.9
135.11653	23.1
137.06004	4.9
137.09631	3.0
141.68004	3.1
145.10062	5.2
147.11668	3.4
149.05971	13.0
149.13231	8.7
153.05399	6.5
155.97235	3.1
159.07919	3.2
159.11649	12.5
161.06000	3.0
163.07567	6.8
165.05452	25.8
167.03435	5.5
167.07072	3.3
168.86945	2.6
173.05972	4.1
173.09595	4.4
175.11166	3.9
177.05434	44.8
177.06813	5.1
177.09076	7.4
177.12689	4.0
178.06143	5.2
178.29549	3.1
179.03365	16.0
187.07497	4.0
191.07025	7.2
193.08673	2.8
195.06499	77.3
195.13763	11.5
196.07256	25.4
205.08562	36.7
206.72493	2.6
209.08235	3.7
213.14833	4.3
219.06343	3.9
221.08110	5.3
221.11678	7.5
223.09610	54.6
224.09877	3.8
237.07434	17.9
238.08412	4.4
241.04877	3.9
255.02869	31.6
255.08601	17.8
257.04453	8.4
261.11151	6.1
269.11508	3.4
269.17386	6.4
273.03912	15.6
277.11340	3.5
283.02368	25.1
283.13202	7.7
285.03802	7.0
287.05475	10.2
287.16403	18.6
291.15909	4.4
301.03394	50.4
301.14313	44.5
301.17545	5.8
315.04929	8.2
316.05682	33.0
317.06226	5.1
317.17441	8.9
319.15427	2.9
327.19376	3.1
329.17352	7.0
339.08612	3.0
343.19019	5.6
343.22763	3.9
344.19760	31.8
345.20471	27.5
353.10022	5.6
377.19522	100.0
378.19891	5.8
395.15839	2.9
395.20566	16.8
413.12048	36.2
413.16534	2.5
413.21347	47.9
413.26651	7.7
414.12610	6.4
414.21344	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	413.2167
Annotation	3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Peak:m/z	Relative Intensity
55.01874	2.3
55.05506	2.3
57.07069	1.8
59.04995	2.4
60.64115	1.2
67.05495	5.1
69.03419	4.5
69.07056	6.8
70.40688	5.5
71.04997	5.7
79.05489	5.2
81.03423	1.8
81.06593	1.8
81.07038	13.3
83.01358	1.7
83.04984	3.5
83.08575	1.3
85.02902	1.1
91.05464	5.5
93.07037	8.5
95.04955	2.8
95.08603	6.1
97.02881	1.5
97.06512	2.3
98.21355	2.2
105.07023	7.7
107.04939	2.0
107.08572	15.1
109.06526	6.8
109.10145	8.0
113.06016	1.7
117.07009	1.9
119.08582	4.4
121.06499	5.5
121.10145	19.6
121.63664	1.1
122.10938	12.1
123.04453	2.0
123.11702	29.4
124.12080	1.8
125.02355	3.5
130.84642	1.3
131.08566	2.0
133.06493	1.6
133.10126	3.7
134.10893	3.7
135.04323	1.5
135.08101	2.4
135.11703	8.3
137.05986	3.1
139.03899	1.7
145.10077	3.1
147.11673	1.4
149.05966	10.7
150.06714	1.3
153.05428	5.9
155.08443	1.6
159.08084	2.1
159.11685	2.4
161.09663	1.6
163.07538	4.6
165.05469	10.6
165.09099	3.6
167.03416	5.1
167.07008	3.4
167.08347	1.1
173.06024	2.5
173.09615	2.4
175.07564	1.6
175.11208	3.3
177.05444	40.2
177.09065	4.0
177.12802	1.9
178.06223	5.4
179.03343	14.6
179.07004	1.7
179.10701	1.8
181.04933	2.3
183.06535	1.6
187.07515	3.0
191.07007	7.8
193.04869	1.6
193.08621	1.5
195.06511	81.3
196.07275	22.0
197.04431	3.4
201.12834	1.4
203.06976	1.4
203.10674	1.5
205.08614	20.0
209.08022	5.6
219.06523	6.1
221.08087	4.2
221.11699	2.8
223.09615	31.6
231.10234	1.3
237.07596	12.0
238.08443	5.7
243.10155	1.7
245.04408	2.2
255.03046	3.0
255.08601	17.2
257.04446	3.9
261.11166	7.0
271.13336	1.6
273.03946	9.7
281.12036	1.4
281.15265	2.4
283.02344	5.5
283.13290	6.6
285.03922	1.7
287.05215	2.0
287.13446	1.7
287.16260	6.9
289.14368	1.7
291.15787	1.7
297.18549	1.6
299.16376	1.5
301.03418	6.6
301.14319	33.7
302.14819	1.6
311.16351	2.4
315.05060	1.7
315.19568	1.6
316.05710	5.3
317.17465	10.6
318.18268	1.7
319.15472	2.1
323.16452	2.0
327.08539	1.5
329.17624	6.1
331.18973	1.5
343.19009	4.4
343.22708	4.2
344.19791	32.0
345.20462	8.5
353.10132	5.9
362.20892	4.8
377.19556	100.0
378.19788	6.4
395.14941	4.1
395.20648	13.2
413.12183	5.4
413.16162	3.9
413.21945	2.8
413.27182	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	413.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76746	0.6
53.03937	1.0
55.01863	1.5
55.05505	4.0
56.96562	0.9
57.03422	1.6
57.07049	1.2
58.29247	0.8
59.04986	0.8
61.02902	1.0
65.03916	0.7
67.05497	5.7
68.99759	1.9
69.03412	3.8
69.07057	11.0
71.04984	2.0
73.02934	1.2
79.05476	5.6
81.03408	5.7
81.07043	9.1
83.01329	1.8
83.04966	2.7
83.08596	2.4
85.02883	2.7
85.06519	0.8
91.05455	3.8
93.07034	8.9
95.04944	3.1
95.08591	5.6
97.02863	2.5
97.06514	1.8
97.10146	0.9
99.04446	1.1
105.03378	11.4
105.07031	4.9
107.08577	7.4
109.02894	1.0
109.06500	1.5
109.10141	4.3
111.04439	0.7
111.08015	1.3
111.11711	1.6
117.06952	0.9
119.08546	2.4
121.06535	1.1
121.10110	4.9
123.04391	0.9
123.08079	1.3
123.11681	1.0
127.03916	1.6
129.06990	1.8
131.08525	2.8
133.10132	3.5
135.08029	1.0
135.11676	13.1
139.11174	1.2
143.08536	0.8
145.10109	2.6
147.04382	1.4
147.08049	0.8
147.11691	1.4
149.09663	0.7
149.13266	1.5
151.11176	1.1
151.20061	0.7
153.01773	2.3
157.10104	0.8
161.09499	1.2
163.11176	2.5
165.05444	1.1
167.06996	0.7
171.11699	1.0
173.09628	3.8
173.13152	0.7
175.11131	0.9
179.03387	2.3
183.02924	2.4
185.09692	0.8
195.11893	1.2
195.13734	1.9
197.04405	2.5
199.02347	1.9
215.07091	0.7
216.04176	0.8
217.04918	2.9
229.04951	2.4
231.02925	1.0
231.06470	1.1
235.07481	1.7
245.04445	8.8
253.08588	1.0
257.04498	5.2
257.08044	2.3
259.05945	2.0
261.04428	0.7
261.07556	2.3
263.06985	1.8
264.07806	0.7
265.05264	0.8
266.05658	4.7
267.06540	1.4
269.04422	7.7
270.05081	0.8
272.03143	2.3
273.03891	30.0
274.04208	1.4
281.05093	0.6
281.08054	16.8
282.08292	1.0
285.03903	20.1
285.07172	1.0
286.04358	1.2
287.16422	0.9
294.05170	3.7
297.03906	2.6
299.05426	1.9
299.08884	1.3
309.07565	25.6
309.10822	1.2
310.07895	1.5
311.05469	4.3
312.06219	3.2
327.08582	100.0
328.08936	6.4
329.10208	10.8
339.08618	2.0
345.09644	2.2
353.09915	1.0
367.22504	1.1
377.13635	1.8
377.17551	1.3
392.38788	0.7
395.14798	5.9
395.22171	1.8
413.11258	0.8
413.15866	2.6
413.21851	7.0
413.26859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.05491	2.0
57.03411	1.1
57.07048	0.9
67.05501	4.1
69.03418	2.8
69.06693	0.8
69.07059	13.4
71.04992	1.2
71.91112	0.6
73.27866	0.6
79.05483	3.1
81.03410	3.7
81.07054	4.5
83.01350	0.8
83.04968	2.3
83.08594	1.0
85.02886	1.6
91.05460	2.3
93.07027	4.6
95.04899	0.7
95.08578	2.1
97.02859	1.4
97.06524	1.5
98.20732	1.3
99.04421	0.8
105.03380	1.1
105.06989	2.7
107.04888	0.7
107.08567	3.4
109.02873	1.1
109.06495	1.0
109.10139	1.7
111.11720	0.5
112.32230	0.6
117.06944	1.2
119.08540	1.0
121.06456	0.6
121.10123	1.8
123.11678	2.5
127.03869	0.7
129.05492	0.7
129.06989	0.7
131.08531	0.9
131.57349	0.6
133.06458	0.6
133.10103	2.4
135.07999	0.8
135.11665	4.5
137.05971	0.7
139.11121	0.7
145.10075	1.0
149.13225	1.6
153.01794	1.3
157.10100	0.6
158.28418	0.6
159.08012	0.7
159.11696	1.0
163.07555	0.8
163.11281	0.6
165.05461	4.1
173.09586	1.0
177.09094	1.3
183.08058	0.7
185.09560	0.7
195.13802	1.4
197.06003	0.7
201.05550	0.6
205.08566	5.2
207.76859	0.6
209.11647	0.7
217.04915	1.6
221.08287	0.6
221.11684	1.8
223.09618	7.2
229.04988	1.4
231.02858	0.9
235.07513	1.9
245.04424	8.2
253.08630	1.7
255.06541	1.2
256.03613	0.8
257.04437	4.6
259.02158	0.8
260.03275	0.9
261.03851	0.8
263.06964	1.5
266.05664	6.4
269.04401	5.1
273.03897	27.2
274.04343	0.8
280.07367	0.8
281.08057	18.8
282.08380	1.1
283.06058	1.0
283.09412	0.6
285.03925	18.5
285.07202	0.8
287.05539	0.7
287.16315	4.2
291.15784	0.7
294.05133	4.3
297.04037	2.9
299.05472	1.8
299.08963	1.2
309.07541	25.7
310.07748	1.3
311.05685	3.0
311.08713	0.9
312.06134	3.2
327.08585	100.0
328.08844	4.9
329.10150	10.7
329.75143	0.6
339.08398	1.5
339.18018	0.6
343.18936	0.7
343.22610	2.1
345.09589	1.7
345.20496	3.7
357.20874	0.8
395.14648	3.2
395.81479	0.6
413.16052	1.4
413.21735	7.7
413.26910	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	413.1412
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.29418	0.3
54.01855	0.3
55.01849	0.4
55.05495	0.5
56.05024	0.8
57.03410	0.4
58.08576	0.3
61.21815	0.4
69.03426	0.4
69.07037	1.1
70.06589	0.6
70.67778	0.4
71.04895	1.0
71.05229	0.4
74.06064	2.3
83.08606	1.1
85.02908	1.0
86.09695	0.4
93.07052	0.5
95.89216	0.4
102.05502	1.2
119.03548	2.1
120.06565	9.5
135.11688	0.5
136.06171	100.0
137.04578	1.2
137.06599	0.9
148.65553	0.4
153.05464	0.4
162.04095	63.7
163.04085	0.8
163.07559	0.5
165.05478	1.9
205.08583	2.0
223.09569	1.8
252.12363	1.1
268.10474	0.9
281.09903	56.1
282.10178	2.0
287.16348	1.6
291.66403	0.4
345.20563	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88317	0.4
55.05493	0.7
57.03389	0.4
59.04984	0.7
67.05485	1.2
69.03412	0.8
69.07061	2.5
71.04979	0.4
71.06219	1.1
77.56439	0.3
79.05478	0.5
81.03436	0.6
81.07032	0.9
83.44408	0.3
91.05450	0.8
92.07199	0.4
93.07018	0.9
95.08571	0.5
97.06506	0.6
105.06995	0.8
107.08566	1.0
109.10178	0.6
115.40349	0.4
119.08578	0.5
123.11684	0.6
127.03938	0.4
129.06940	0.4
133.10118	0.5
135.11659	0.4
139.23405	0.5
147.11699	0.5
153.01796	0.7
153.05455	0.4
155.08633	0.4
165.05455	1.9
173.05959	0.4
177.09103	0.8
183.08035	0.4
184.05667	0.4
187.03841	0.5
189.05502	0.4
203.03256	0.4
205.08633	1.3
215.03165	0.4
217.04930	1.8
223.09558	2.1
229.04991	1.4
231.02817	0.8
231.06491	0.6
235.07553	1.2
238.06258	0.6
243.02876	1.9
245.04425	10.3
246.04759	0.7
253.08565	1.4
257.04443	3.2
258.05096	0.4
260.03134	0.4
261.03900	8.9
262.04379	0.5
263.07098	1.0
266.05740	3.8
267.06128	0.5
269.04379	2.7
271.06024	0.9
273.03897	37.9
274.04367	2.1
275.05450	1.1
281.08044	23.5
282.08487	2.1
285.03934	6.7
285.07458	1.2
287.05481	2.7
287.16388	1.5
291.06729	0.5
294.05173	2.9
295.05832	0.4
297.03940	1.7
298.04626	0.8
299.05676	1.0
299.09052	0.8
301.07092	1.0
309.07526	29.1
310.07837	1.8
311.05420	1.3
312.06262	1.5
327.08578	29.4
328.08987	2.3
345.09641	100.0
345.20499	2.2
346.09961	5.8
353.10193	0.6
365.68958	0.4
413.11359	0.5
413.15872	3.4
413.21466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01860	7.2
55.05497	3.6
57.03423	16.6
59.04997	2.2
61.02914	15.0
69.03419	28.8
70.90669	2.6
70.91028	1.4
71.01340	4.0
71.04970	6.1
73.02908	83.3
74.03257	1.0
74.36213	0.9
81.03399	5.2
83.08597	4.8
85.02893	100.0
86.03222	1.9
87.04436	5.0
91.03960	4.7
93.07030	1.1
97.02879	57.5
98.03246	1.0
99.04435	5.5
101.09624	1.1
103.03951	3.5
109.02876	8.4
111.04390	1.2
111.08083	1.9
113.09665	1.1
115.03913	31.4
127.03902	33.1
132.06540	2.0
133.04950	36.0
139.07523	3.6
141.09084	2.8
144.06551	1.0
145.04938	51.8
146.05292	1.3
147.26704	1.1
150.07552	4.8
151.07547	1.7
159.27876	1.0
163.05998	29.4
179.10712	1.3
187.09900	1.0
191.10634	1.3
193.05052	1.3
197.11783	3.1
199.05951	1.4
204.30925	1.0
209.11743	2.6
212.38403	1.1
215.12823	4.2
217.07121	1.4
223.06003	5.8
227.12741	2.7
233.13837	2.8
241.06969	8.2
241.08934	0.8
242.12169	0.9
244.79390	1.1
245.13885	4.0
259.08118	12.6
263.14932	7.3
277.09189	3.4
295.10156	5.1
336.45428	1.0
366.40216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05503	4.9
56.55991	1.2
57.03429	35.1
61.02915	11.5
68.90251	1.3
69.03421	39.7
69.71611	11.0
69.71929	1.8
71.01345	4.1
71.04980	5.1
73.02910	59.2
75.97018	1.3
81.03421	6.8
83.04979	1.4
83.08626	7.4
85.02896	100.0
87.04464	11.7
91.03945	5.6
93.62946	1.4
95.08576	1.8
97.02881	59.2
98.03172	1.4
99.04440	4.0
109.02875	5.8
111.08067	2.0
111.82044	1.3
115.03918	51.7
127.03902	25.2
129.09140	1.4
132.06650	1.7
133.04947	22.2
137.09627	1.4
139.07526	3.0
141.09091	2.7
145.04930	44.2
150.07581	8.3
163.05995	21.8
169.04906	1.3
180.08688	1.4
197.11679	2.7
209.11754	3.1
223.05991	4.8
227.12805	4.7
233.14052	1.8
241.07082	4.7
245.13828	3.9
259.08051	5.4
263.14902	9.7
295.10147	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	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01862	10.4
55.05495	4.6
57.03164	1.0
57.03429	16.7
57.85687	0.6
59.04995	2.9
60.04518	0.7
61.02917	11.4
67.05492	1.1
69.03417	26.7
69.07035	1.3
70.90583	1.7
70.90923	0.7
71.01350	4.2
71.04983	7.1
72.04507	1.2
73.02905	23.2
79.18524	0.6
81.03409	6.7
81.07028	2.2
83.01314	0.7
83.04965	1.4
83.08610	7.1
85.02892	100.0
86.03223	1.3
87.04459	4.1
91.03944	6.4
92.66427	0.7
93.07012	2.2
95.04961	1.4
95.08548	1.2
97.02877	38.3
97.06526	0.8
98.03209	0.7
99.04440	4.2
101.09653	2.5
103.03921	2.8
109.02863	7.3
109.06554	0.6
110.03166	0.7
111.08096	2.9
113.09639	1.3
114.05491	0.7
115.03918	16.8
115.07549	1.4
117.20967	0.6
119.08563	0.6
121.06507	1.1
123.08073	1.6
125.09673	0.9
127.03896	27.5
129.09108	2.7
131.08595	0.7
132.06541	2.3
133.04951	20.5
134.05313	0.8
137.09601	0.7
139.07516	4.2
141.09053	3.1
145.04935	52.8
146.05270	0.9
149.09602	0.8
150.06445	0.9
150.07579	4.9
151.07530	1.5
153.01819	1.5
153.09068	0.7
154.02173	0.7
163.05998	24.0
167.10692	1.1
169.08627	1.5
179.10706	1.4
181.12312	0.6
182.49620	0.6
184.07375	1.2
185.11720	0.6
193.04939	0.8
197.11711	0.9
199.06003	1.4
209.11685	3.0
215.12854	0.9
217.07222	0.7
223.06049	2.3
227.12808	3.2
232.06902	1.0
239.41399	0.6
241.07111	3.2
245.13875	5.1
250.08014	1.6
259.08102	2.9
263.14899	5.8
337.47595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50259	1.7
53.03945	4.2
55.01858	6.9
55.05238	3.8
55.05506	74.2
57.03426	14.8
57.07077	7.2
65.03942	2.2
67.05501	72.4
67.62333	2.0
68.05798	2.1
69.03426	6.3
69.07063	49.7
69.07427	3.2
71.01362	1.9
71.04982	9.9
71.61907	1.9
71.80934	3.0
72.03754	2.1
79.05488	68.1
81.03414	4.8
81.07050	100.0
83.04581	1.8
83.04974	12.5
83.08606	30.9
85.02924	2.2
85.06549	7.8
85.56409	2.1
91.05478	27.1
93.07040	57.1
95.04955	14.0
95.08601	30.0
97.02885	2.1
97.06535	13.4
97.10159	40.2
99.04498	1.9
99.08101	3.8
105.03378	2.1
105.07030	20.7
107.08584	49.5
109.06541	6.4
109.10175	12.9
111.08100	6.3
113.06048	1.9
115.42346	2.0
117.07056	10.8
119.08604	8.6
121.06496	3.4
121.10142	26.4
123.04427	5.0
123.08078	3.4
123.11737	7.3
125.09628	35.5
131.08571	10.2
133.10126	24.9
134.15933	1.9
135.08110	5.7
135.11697	14.6
139.11256	2.8
141.02365	1.8
143.08559	3.1
143.10660	11.1
145.10133	3.5
147.08075	2.7
147.11757	5.1
149.02376	2.2
149.09653	3.6
149.13287	30.4
151.04004	2.2
151.11212	2.4
155.08633	2.9
157.10165	3.6
159.08015	2.9
159.11711	17.5
163.07616	3.5
163.11127	2.9
165.05501	2.4
165.12787	2.4
167.03406	2.1
167.14517	2.0
169.10158	4.1
171.08170	2.1
171.11703	2.1
173.09641	9.2
175.11229	3.5
177.09045	4.3
177.12767	10.5
179.03410	2.6
187.07533	2.8
189.12820	2.3
191.07121	3.9
195.13803	17.6
199.13263	39.1
201.09167	2.8
205.08565	17.5
209.13408	2.9
211.06090	2.7
213.14886	3.1
223.09554	18.2
231.10211	2.9
243.10648	2.2
259.05875	2.2
265.12219	3.0
267.13617	3.0
269.17471	43.0
273.14914	4.1
301.14429	3.9
301.21719	3.1
307.17004	7.1
319.16882	2.4
319.22760	3.9
325.17984	22.5
337.17969	5.4
341.21170	3.8
343.19028	58.5
357.20633	11.2
375.22836	8.5
393.13406	3.3
393.26959	14.2
398.46332	2.2
411.10022	4.2
411.14587	5.7
411.27518	76.8
412.27545	4.5
428.63815	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	411.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01831	0.5
55.05481	1.4
56.79142	0.4
57.07070	2.4
64.07159	0.3
64.96334	0.3
65.03917	0.4
67.05496	3.5
69.03398	0.8
69.07056	5.1
69.59847	3.3
71.04947	1.0
72.08129	0.4
79.05476	2.9
81.03406	0.4
81.06605	0.5
81.07042	7.2
82.54660	0.3
83.01307	1.1
83.08598	0.9
85.73827	0.4
86.49890	0.3
91.05448	2.6
91.82852	0.3
93.07026	4.1
95.04942	1.0
95.08600	4.2
97.10132	0.4
105.03338	0.9
105.06996	3.5
107.04915	1.4
107.08563	5.0
109.06473	0.8
109.10139	9.0
117.06993	0.8
119.08525	1.9
121.06462	1.2
121.10123	3.6
122.10939	1.7
123.04450	0.5
123.11686	18.0
126.40841	0.4
129.06952	0.9
131.08516	1.2
133.06412	0.8
133.10103	4.3
135.04385	6.6
135.07997	1.1
135.11667	4.8
137.02304	0.8
137.05902	0.7
143.08511	0.7
145.06410	0.5
145.10056	1.1
147.04401	0.4
147.08017	0.9
147.11638	0.9
149.05954	1.5
151.03865	5.4
153.05490	0.4
155.08527	1.6
157.06445	0.7
157.10077	0.6
159.07999	1.1
161.05902	1.4
161.09579	0.5
162.06696	0.3
163.03873	25.7
163.07561	0.9
164.04257	0.6
165.05469	2.2
169.10051	0.6
171.11647	0.4
173.05949	0.9
173.09583	1.3
175.03900	0.7
175.07571	2.0
175.11124	0.5
177.05438	17.1
177.09068	1.3
178.05847	0.5
179.06992	0.8
181.04927	20.8
183.08017	0.5
183.11682	0.4
185.05858	0.6
185.09526	0.5
185.13187	0.6
187.03880	1.5
187.07512	1.3
189.05444	1.7
189.09126	0.7
191.06964	3.7
193.08612	0.6
195.06445	0.5
197.09518	0.6
199.07564	0.7
201.05411	4.0
201.08998	2.2
203.07010	3.4
204.06471	0.6
205.04973	0.7
205.08543	8.6
207.10057	2.2
211.07495	1.3
213.09157	0.5
213.12733	0.6
215.07057	2.1
215.10580	0.4
217.08470	1.8
219.10121	68.7
220.10373	2.3
221.08031	1.0
221.11578	0.7
223.09593	6.0
225.09015	1.3
227.10623	0.8
229.08562	23.3
230.08885	1.0
231.10091	0.4
233.11662	1.0
239.14275	0.8
243.10173	3.4
243.13811	0.6
249.12881	0.4
259.13132	0.4
261.11102	0.4
265.12189	0.9
267.13754	8.5
269.11707	1.9
271.13181	0.9
273.14813	1.2
281.34564	0.4
283.13245	1.0
285.14804	55.4
286.15207	2.8
287.12729	0.8
289.14285	3.0
301.14178	0.7
307.16867	1.2
315.15692	0.4
319.16919	0.6
323.20065	1.1
325.17981	6.0
337.17868	1.3
341.21060	100.0
342.21402	5.2
343.18967	21.5
344.19257	0.9
355.19052	1.3
375.23187	1.2
393.24393	1.6
411.25247	30.9
412.25424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01875	0.5
55.05490	0.6
57.07064	2.7
65.03922	0.5
67.05487	2.0
67.52274	0.2
69.07054	2.1
70.08488	0.8
71.04992	1.1
76.74886	0.1
79.05482	2.4
81.03403	0.2
81.07041	5.8
83.01320	0.3
83.04974	0.2
91.05459	1.0
93.07030	2.0
95.04936	0.7
95.08595	2.6
97.06482	0.2
97.10153	0.3
99.00808	0.4
103.05428	0.2
105.07009	1.4
107.04933	1.6
107.07893	0.3
107.08576	2.9
109.02864	0.7
109.06501	0.4
109.10135	3.6
111.08070	0.3
117.06966	0.4
119.04866	0.3
119.08546	1.0
121.06496	0.5
121.10124	2.5
122.10898	1.4
123.11686	17.1
124.12053	0.4
127.11203	0.3
131.08556	0.5
133.06456	0.6
133.10138	0.9
135.04393	9.2
135.08006	0.5
135.11664	3.8
137.02306	0.4
137.05940	0.2
137.09576	0.3
139.03842	0.3
142.07782	0.2
143.08548	0.4
145.10112	0.6
147.04301	0.2
147.07979	0.5
147.11633	0.4
149.05968	0.7
151.03879	4.3
155.08514	0.5
157.06464	0.3
159.08017	0.4
159.11676	0.3
161.05956	1.4
161.09628	0.3
163.03876	37.6
164.04185	0.8
165.05476	1.3
165.09155	0.2
168.94597	0.2
169.10094	0.3
171.08028	0.3
173.05913	0.5
173.09604	0.6
175.03844	0.6
175.07501	1.0
177.05444	5.5
177.09064	0.5
179.07083	0.4
179.08498	0.2
181.04927	23.3
182.05298	0.5
183.08017	0.3
187.03796	0.3
187.07570	0.6
189.05492	1.0
191.07008	3.0
193.08531	0.7
197.05956	0.3
197.09402	0.2
201.05432	1.8
201.09053	1.6
203.07016	2.1
204.06436	0.9
205.05225	0.2
205.08556	2.9
207.10127	1.5
211.07495	0.8
211.11055	0.2
213.12712	0.3
215.07028	0.5
215.10551	0.2
217.08571	0.4
217.12070	0.2
219.10126	100.0
220.10440	2.9
220.12440	0.3
221.08086	0.7
221.11472	0.3
221.13377	0.4
223.09531	0.8
225.09088	1.8
225.12598	0.3
227.10806	0.2
228.70825	0.2
229.08575	2.0
229.12238	0.2
233.07890	0.2
239.10518	0.2
239.14299	0.5
241.08582	0.2
243.10118	0.7
245.11598	0.2
247.13440	0.2
249.12761	0.5
252.11388	0.5
253.12360	0.2
257.15305	0.2
261.14822	0.5
263.12857	0.3
265.12192	0.2
267.13751	8.6
268.14203	0.3
269.11795	0.4
271.13281	0.2
272.13846	0.2
273.14847	0.5
285.14810	30.5
286.15216	1.4
289.14261	4.0
307.16980	0.2
323.19919	1.0
325.17960	0.8
337.18069	0.2
341.21060	72.7
342.21417	3.8
343.18918	1.7
355.18912	1.0
375.22879	0.2
381.48511	0.2
393.24121	0.2
411.25214	18.2
412.25546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57163	0.5
55.05485	1.9
57.96998	0.5
67.05500	2.9
68.17349	0.5
69.03399	1.0
69.07058	25.4
70.70132	1.9
71.04955	1.8
73.63938	0.5
79.05496	1.1
81.07021	1.3
83.01339	3.0
91.05460	3.4
93.07027	2.4
95.04949	1.1
95.08589	5.2
97.10128	1.8
105.07018	7.9
107.08584	5.9
109.06511	1.2
109.10132	1.5
110.86102	0.5
113.05994	1.0
117.07085	0.7
119.04985	0.5
119.08579	1.8
121.06426	1.0
121.10122	5.1
123.04368	1.0
123.08051	1.0
131.08537	2.0
131.57852	0.5
133.10101	7.8
135.08022	2.9
135.11682	1.2
137.05968	0.6
139.03877	1.0
141.05481	1.0
142.07741	0.7
143.08562	1.3
145.10081	1.9
147.11661	1.8
149.05960	0.7
149.09589	2.2
153.05432	0.7
155.08409	0.7
157.10086	1.7
159.08101	3.1
159.11650	1.2
162.06735	2.1
163.07516	4.8
165.05463	1.8
169.10114	1.2
171.08083	0.8
173.09616	4.4
173.13254	0.8
175.11142	3.0
177.09122	8.2
179.06970	1.1
183.11728	1.0
185.09605	0.9
187.07530	2.5
191.06996	1.6
193.10085	0.7
197.13185	1.0
199.11171	0.8
201.08952	0.6
203.06996	0.6
203.10637	1.1
205.08566	43.1
206.08968	1.3
209.13246	1.7
211.14742	1.1
217.08508	1.0
219.10036	1.3
221.09776	0.6
221.11580	1.4
221.13391	0.9
222.10551	0.8
223.09610	50.2
224.09927	1.3
225.09190	1.0
229.08691	1.3
229.12096	0.8
231.09982	0.7
231.55923	0.6
235.11151	0.7
237.12743	2.1
239.14272	1.5
241.12128	1.1
241.15866	0.6
243.10269	0.9
249.12947	1.6
251.17882	2.3
255.13727	0.9
257.11694	0.8
261.16309	0.8
263.18002	0.7
265.12299	3.4
267.13721	1.7
269.11609	2.9
271.13202	0.7
272.14151	0.6
273.14658	0.9
276.14969	0.7
277.12204	1.7
279.17426	1.4
283.13220	2.9
285.14740	1.2
287.12622	0.7
289.14380	1.3
291.13547	1.3
291.16873	0.7
292.14587	1.5
295.13266	0.7
297.18369	1.0
299.16599	0.7
301.14362	2.5
304.14694	0.6
307.16855	8.1
319.16898	2.1
323.16412	1.1
323.19983	1.4
325.17938	23.7
326.18265	1.5
337.17926	4.2
341.17514	1.3
341.21143	3.0
342.21414	1.0
343.18988	100.0
344.19467	6.6
365.24826	0.8
375.23181	5.6
393.24030	5.7
411.25162	14.8
412.25626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50561	0.9
52.47132	1.2
55.05497	3.7
67.05499	3.1
69.03443	1.2
69.06696	1.5
69.07063	29.3
69.57421	2.1
69.57842	8.4
71.04978	3.5
79.05486	1.6
81.07051	3.1
83.01322	3.6
87.07065	1.2
91.05462	3.1
93.07029	3.6
95.08609	6.3
97.10149	1.9
98.20870	4.0
100.15668	1.1
105.07011	8.5
105.30572	1.0
107.08593	9.5
109.06471	1.9
109.10155	3.5
113.06011	1.4
117.06979	1.2
119.08556	2.9
121.06506	1.9
121.10114	9.2
123.04405	1.8
123.08047	1.3
123.11668	1.7
131.08565	3.5
133.10110	13.1
135.08044	3.1
135.11615	2.9
143.08496	1.9
145.06422	1.4
145.10092	4.9
147.11685	1.7
149.09612	3.5
157.04921	2.3
157.10033	1.5
159.08034	3.9
159.11687	3.7
162.06737	2.4
163.07527	3.9
163.11211	1.3
165.05475	2.7
169.10088	2.3
171.11691	2.1
173.09610	7.8
173.13202	1.5
175.11145	1.7
177.09108	7.2
180.61714	1.1
183.11636	1.9
185.13300	1.5
187.07516	2.0
187.14665	1.1
187.16434	1.2
192.07832	1.2
195.11670	1.8
197.13324	1.4
199.11082	2.2
201.09111	4.8
203.10669	1.2
205.08591	30.1
208.12434	1.5
209.13280	2.0
211.11197	1.2
211.14847	2.2
215.17883	1.7
217.12344	1.3
221.11584	1.4
222.10423	1.4
223.09612	36.8
229.12199	1.7
237.12704	3.3
239.14264	2.1
243.10081	1.5
243.21007	2.1
247.13307	1.7
249.12947	2.1
251.14371	1.4
251.17896	4.8
252.40218	1.2
253.12213	1.3
253.19563	1.9
255.21048	3.8
264.14981	1.6
265.12198	5.6
267.13882	5.5
271.13275	4.5
271.20514	3.3
273.14917	1.5
277.12216	3.8
279.17450	3.0
281.18997	3.1
283.13275	3.8
285.14877	4.2
289.14435	4.5
291.15909	1.3
292.14322	1.9
301.14261	3.8
305.15411	1.2
305.18997	1.4
307.16885	11.4
317.21051	1.7
319.16907	5.2
323.16461	1.4
323.20041	2.3
325.17963	37.5
326.18256	2.8
337.18045	8.3
341.21085	13.2
343.19009	100.0
344.19391	4.3
348.45981	1.2
351.19568	2.4
375.23187	14.3
393.24210	15.3
411.25232	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	411.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.5
55.11161	1.0
59.24313	1.1
61.69316	1.0
67.05495	20.6
69.03419	1.6
69.06686	2.3
69.07056	40.4
70.08072	3.9
71.04973	4.3
79.05482	3.5
81.07040	7.1
83.01327	5.6
83.08572	1.3
84.76734	0.9
91.05453	7.0
93.07032	6.3
95.04950	2.9
95.08587	8.6
103.05475	1.3
105.03372	3.7
105.07017	17.9
106.03671	1.1
107.08573	11.6
109.06489	1.2
109.10142	37.2
113.05977	2.8
116.06242	1.0
117.06963	2.0
119.04852	0.9
119.08563	3.2
119.25092	0.9
121.06485	2.4
121.10115	8.5
123.04367	1.4
123.11650	2.3
131.08571	5.1
133.06502	1.2
133.10109	25.5
135.08035	3.8
135.11661	2.5
139.03883	1.5
143.08524	1.3
143.96104	1.0
145.10078	3.8
147.11641	2.9
149.05977	1.5
149.09625	3.1
153.05423	1.9
155.08562	1.2
157.04945	1.7
157.10135	1.9
159.08025	3.3
159.11636	1.6
161.09520	1.7
162.06706	1.5
163.07506	5.0
165.05457	10.2
169.10129	2.0
171.11629	1.3
173.09599	5.1
175.07503	1.3
175.11137	2.3
177.05496	1.9
177.09087	7.1
179.03288	2.5
179.07077	1.5
187.07521	2.5
189.09125	2.6
191.07048	5.3
193.08598	1.6
197.04364	1.8
199.11293	1.4
201.09050	2.5
203.06984	1.8
203.10516	1.2
205.08580	31.5
209.13315	1.1
211.14824	2.2
217.08617	3.3
218.74655	1.0
219.10037	2.8
221.08070	26.1
221.11447	5.5
223.09601	33.7
225.09094	2.3
227.10547	2.1
229.08536	4.1
229.12192	1.0
231.10078	2.4
235.09583	1.4
237.12920	1.7
239.10573	1.7
239.14424	2.0
241.12222	2.2
243.10185	8.0
243.13670	1.5
249.10999	2.0
251.17856	2.2
255.10066	1.2
255.13722	2.6
257.11682	2.7
259.09482	1.3
261.11084	1.8
265.12057	2.2
267.13809	8.9
268.10861	2.4
269.11603	4.4
269.15353	1.0
271.13251	3.0
273.14929	2.6
277.12042	1.7
279.17313	1.6
281.11743	1.2
281.18750	1.4
283.13324	8.0
284.13669	1.1
285.14819	21.7
287.12814	4.5
289.14374	3.8
295.75198	1.2
299.16479	2.1
301.14258	3.6
307.16837	7.5
309.14810	1.3
310.15344	1.5
319.16885	2.2
323.19968	2.3
325.17941	27.9
337.17767	4.6
341.17389	2.0
341.21033	13.0
342.21582	1.1
343.18979	100.0
344.19107	5.5
355.18881	4.8
365.24866	1.3
375.23087	5.2
393.24194	4.8
411.25284	15.6
412.25397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
58.35963	0.6
67.05484	2.9
69.03425	1.5
69.07059	31.7
69.97305	3.7
69.97715	1.3
71.04974	1.8
78.63586	0.6
79.05476	2.6
81.07038	1.7
82.16183	0.6
83.01336	4.1
83.04950	0.7
91.05445	3.5
93.07032	2.4
95.04955	1.4
95.08585	7.6
97.10143	2.0
98.20746	0.7
105.07014	9.5
107.08575	11.4
107.27859	0.7
109.06525	1.1
109.10140	2.7
113.05990	1.4
113.83511	0.7
117.06966	0.6
119.08559	1.7
120.43696	0.6
121.10117	3.4
123.04408	1.3
123.08034	0.8
125.44987	0.6
131.08522	2.3
133.06409	0.8
133.10107	12.2
135.08034	4.2
139.03818	0.7
143.08524	1.3
145.10109	2.3
147.11674	1.0
149.05917	1.3
149.09573	1.6
157.10104	1.1
159.08029	2.9
161.05994	0.9
162.06718	1.9
163.07524	4.0
165.05397	1.6
167.08514	1.0
169.10117	2.4
173.09599	7.0
173.13197	1.1
175.11121	3.6
177.05444	1.0
177.09085	5.7
179.08456	0.9
181.10165	1.3
185.09450	0.9
185.13240	0.8
187.07504	2.1
191.07022	2.3
193.08575	0.8
194.11031	0.9
195.11655	1.2
197.08000	0.9
197.13339	0.7
199.11165	1.2
201.09129	1.0
203.10655	1.3
205.08569	31.3
206.08850	1.3
206.10837	0.9
209.13190	2.8
211.11127	0.8
211.14772	1.2
217.08528	0.8
219.10020	1.0
219.11838	1.0
221.11378	0.7
221.13263	2.2
222.14020	0.7
223.09595	33.8
223.14673	1.0
224.09978	1.0
224.12061	0.8
225.09109	1.2
225.12691	1.0
229.08627	0.7
229.12251	1.1
231.10057	1.4
235.11238	0.9
235.14882	0.8
235.27118	0.8
237.12979	3.4
239.14297	2.6
243.10129	0.9
245.11722	0.8
246.14117	1.0
247.13257	1.8
249.10797	1.2
249.12721	3.1
251.14334	0.9
251.15382	0.7
251.17897	6.0
253.12184	1.0
261.12662	1.7
261.16351	1.2
263.14502	0.9
263.18021	0.9
264.15128	2.2
265.12177	6.5
267.13791	4.0
269.11685	2.8
269.15268	1.2
273.14902	1.0
276.15039	1.4
277.12222	3.8
277.19376	0.9
279.17435	3.5
281.18954	0.9
283.13226	4.8
285.14789	2.6
289.12268	1.0
289.15689	1.2
291.13699	1.2
291.17285	2.5
292.14499	2.4
295.13101	1.3
296.13855	0.7
297.14944	1.0
297.18277	1.5
299.16412	1.3
301.14166	4.8
304.14355	1.2
305.15579	0.7
307.16882	14.2
308.17188	1.2
319.16907	3.0
323.16357	1.6
323.20108	2.0
324.16891	1.3
325.17935	45.1
326.18311	2.3
337.17911	6.8
341.21057	2.5
343.18988	100.0
344.19357	5.9
347.23700	0.9
357.21936	1.3
365.24585	0.9
375.23181	11.4
376.23544	0.9
393.24173	5.1
411.25226	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	411.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00010	0.6
55.05497	1.6
59.15589	0.7
65.68964	0.6
67.05498	3.3
69.03429	1.0
69.07059	32.8
71.04977	1.8
71.11364	1.5
71.74232	0.7
79.05474	2.0
81.07013	1.0
83.01319	4.1
88.58687	0.7
91.05438	4.3
93.07032	2.2
95.04951	0.9
95.08597	7.9
97.10147	1.1
102.80978	0.7
105.07007	7.2
107.08587	8.9
109.06491	1.2
109.10109	1.7
113.05984	1.0
119.08488	0.8
120.18767	0.7
121.06478	1.1
121.10107	2.8
123.04411	1.2
123.08006	0.7
129.06975	0.9
131.08508	2.2
133.06415	0.7
133.10117	10.2
135.08025	3.1
143.08565	1.8
145.10130	1.4
147.11694	1.3
149.06007	0.9
149.09563	3.1
153.05428	0.8
157.10187	1.0
159.08018	2.3
159.11746	1.1
161.06012	0.8
162.06738	1.9
163.07501	3.4
163.11121	1.0
165.05432	2.0
167.08615	0.7
169.10100	1.7
171.11658	1.1
173.09584	5.5
173.13304	1.0
175.11137	2.7
177.09062	5.3
179.07065	1.2
181.10101	1.0
183.11649	1.1
185.13313	1.1
187.07480	2.2
187.11166	0.7
189.09108	1.5
191.06972	2.3
191.10733	0.9
193.08603	1.5
197.08080	0.9
197.13246	0.9
199.11197	1.1
202.94426	0.7
205.08572	31.7
209.13196	2.5
211.11136	1.0
213.08881	0.8
213.12671	0.9
219.10057	1.4
221.11516	1.5
221.13475	1.4
222.10278	1.3
223.09601	32.8
223.14688	1.0
225.09082	1.2
229.08614	0.9
229.12181	1.6
231.10075	1.2
233.13190	0.8
235.11134	0.8
235.14854	0.9
237.12811	4.2
239.10611	0.9
239.14250	2.5
241.12260	0.9
249.08896	0.9
249.10786	1.4
249.12733	3.6
251.14351	1.7
251.17934	5.0
255.13809	2.1
261.12894	0.9
261.16309	1.2
263.17770	1.2
264.14932	1.4
265.12177	5.6
267.13770	4.6
269.11667	2.3
269.15344	1.2
273.14874	1.0
276.14941	1.6
277.12271	3.9
279.17438	2.7
283.13303	3.1
285.14850	2.5
287.12943	0.8
289.15942	1.1
291.16122	2.1
292.14651	2.3
295.13278	1.4
297.18478	1.3
301.14218	3.7
304.14407	1.2
305.18973	0.8
307.16870	12.0
319.16776	3.5
323.16345	0.9
323.19946	2.2
325.17938	38.0
326.18185	2.1
337.17932	7.4
341.21222	3.8
343.18991	100.0
344.19278	4.4
365.24713	1.5
375.23102	11.5
376.23077	0.8
393.24234	6.2
411.25296	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05499	1.7
67.05498	3.2
69.03402	1.2
69.07059	32.3
70.03693	2.8
70.04111	1.0
71.04965	2.1
79.05461	1.8
81.07030	1.1
83.01334	4.4
83.04948	0.8
91.05475	4.7
93.07023	2.3
95.04946	1.4
95.08600	8.1
97.10120	1.5
98.21444	0.8
105.03408	0.8
105.07018	7.6
107.08585	11.0
107.09257	1.2
109.06469	1.0
109.10127	1.7
119.08569	1.2
121.06500	1.0
121.10109	2.9
123.04427	1.0
123.08043	1.0
131.08525	2.7
133.10114	11.7
135.08015	2.4
137.05978	0.6
142.07858	0.6
143.08531	1.9
145.10077	1.5
149.09593	1.9
157.10066	1.3
159.08015	2.0
159.11641	1.0
161.91832	0.6
162.06767	2.4
163.07509	2.7
165.05478	1.3
165.06822	0.6
169.10126	1.0
171.08060	1.0
171.11620	0.8
173.09563	5.6
175.07605	1.2
175.11211	3.1
177.09111	5.7
179.06969	1.4
179.08493	1.0
181.10089	1.0
183.11662	1.6
185.13232	0.7
187.07491	1.7
191.07068	1.4
192.07764	0.8
193.35704	0.7
194.10773	0.9
195.08116	0.6
195.11726	0.9
197.08084	1.5
197.13249	1.3
199.11214	1.5
201.08965	0.7
203.10664	1.8
205.08569	33.4
206.09023	0.7
206.10895	0.9
207.11580	0.7
209.09589	0.8
209.13266	1.8
209.29645	0.6
211.14893	1.4
213.12663	0.6
219.10112	1.7
221.13274	1.6
222.10364	0.7
223.09610	34.3
223.14604	1.1
224.10002	1.0
225.09084	0.8
225.12781	1.0
229.12250	1.2
231.09920	1.2
234.13737	0.8
236.11865	0.8
237.12830	4.1
239.14273	1.6
241.12138	0.8
245.11670	1.0
246.14114	0.8
247.13196	1.3
249.11082	2.6
249.12860	2.6
251.10631	0.7
251.14276	1.0
251.17986	4.5
255.13757	1.2
257.11658	0.7
261.12799	1.1
261.16434	1.4
262.09845	0.6
263.17886	1.6
264.15088	1.8
265.12201	6.2
265.14862	0.7
265.15906	0.6
266.12759	0.8
267.13754	4.0
267.16550	0.6
268.10925	1.0
269.11743	2.1
269.15140	1.3
273.14853	1.0
276.15115	1.2
277.12268	4.0
279.17392	3.9
283.13403	4.1
285.14908	2.8
289.12167	1.0
289.15915	1.2
291.17358	1.8
292.14569	2.2
295.13336	1.1
297.14700	1.3
297.18381	1.0
301.14365	5.1
304.14590	0.8
305.18869	0.9
307.13800	0.6
307.16885	14.3
307.20135	1.1
319.16867	3.8
323.16376	0.8
323.19980	2.0
325.17944	45.9
326.18304	2.3
333.18842	0.6
337.17923	8.5
341.17505	0.8
341.21118	2.7
343.19003	100.0
344.19296	5.5
357.22015	0.8
365.24515	0.7
375.23178	12.6
393.24280	5.4
411.25354	4.5
412.25317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.7
67.05490	2.9
69.03426	0.7
69.07056	28.6
69.68564	2.4
69.68999	2.6
71.04964	2.0
79.05462	1.7
81.07024	1.1
83.01315	4.4
91.05468	3.8
93.07011	1.8
95.04932	0.9
95.08585	6.8
97.10118	1.5
105.03371	2.0
105.07022	7.1
105.28204	0.6
107.08585	9.8
109.06514	1.5
109.10144	2.5
113.05991	0.9
119.08549	1.6
121.06506	1.2
121.10137	2.8
123.04420	0.6
123.08075	0.8
131.08574	1.5
133.10092	12.1
135.08046	3.5
139.03879	0.9
143.08531	1.1
145.10109	2.8
147.11670	0.9
149.09583	1.6
157.10110	1.2
158.10712	0.6
159.08035	2.2
159.11716	1.6
162.06679	1.1
163.07481	3.1
163.11121	0.7
165.05475	2.0
169.10100	1.4
171.07994	0.7
171.11664	1.0
173.09558	4.9
173.13315	0.7
175.07556	1.0
175.11140	2.7
177.09146	5.4
179.03453	1.3
179.07022	0.9
179.08635	0.8
181.10170	0.6
183.11655	1.2
185.13254	1.6
187.07523	2.1
189.09058	0.7
191.07014	2.0
194.10818	0.9
195.11755	1.1
197.04517	1.4
197.08055	0.9
197.09654	0.7
197.13196	1.5
199.11189	1.1
201.08998	1.2
203.10602	0.7
205.08562	28.5
206.08989	1.2
206.10915	1.0
209.13235	3.2
211.14691	1.3
213.12714	0.6
215.76079	0.6
219.10056	2.9
219.11855	0.9
221.13203	2.3
222.10388	0.7
223.09598	31.2
224.09981	1.0
225.09085	1.7
225.12639	0.7
227.10838	0.8
229.08562	0.9
229.12177	0.9
231.10123	2.3
233.13487	0.6
237.12857	4.1
239.14354	2.3
241.12180	1.0
243.10136	1.2
245.11577	1.0
246.14226	0.8
247.13091	0.8
249.10999	1.8
249.12784	2.4
251.17981	4.4
253.19582	0.7
255.10030	0.7
255.13829	1.1
257.08093	1.8
257.11557	0.7
261.12787	1.0
261.16248	1.0
263.17917	0.9
264.14908	1.5
265.12204	5.4
266.13135	0.8
267.13724	3.7
269.11652	1.7
269.15048	0.9
273.14789	0.7
276.15109	0.8
277.12259	3.3
279.17380	2.4
283.13235	4.4
285.14856	2.1
287.12756	1.1
289.12177	0.7
291.17365	1.8
292.14563	2.6
295.13440	1.1
297.15286	0.7
297.18491	1.2
301.14297	4.5
304.14569	0.7
305.19031	0.6
307.16861	12.5
308.17508	0.7
319.16891	3.5
323.20023	2.9
324.17154	0.7
325.17941	43.1
326.18280	2.5
337.17896	7.8
341.21201	3.3
343.18988	100.0
344.19287	6.1
347.23358	0.8
357.21695	0.7
375.23145	11.1
376.23837	0.9
393.24146	6.0
411.25330	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	411.2525
Annotation	Dehydrorobustol A
Peak:m/z	Relative Intensity
55.01852	1.2
55.05491	2.7
57.07056	1.1
67.05490	8.1
69.03417	4.3
69.06702	1.7
69.07057	26.9
69.07436	1.8
70.98186	0.9
71.01335	1.0
71.04987	7.2
73.56561	1.1
79.05476	4.7
81.07037	6.2
82.47602	0.8
83.01333	1.5
83.04936	1.5
90.39146	0.8
90.81256	0.8
91.05463	5.7
93.07029	12.7
95.04945	5.8
95.08609	9.6
96.17771	0.8
96.71015	0.9
104.59716	0.8
105.03355	1.6
105.04618	0.8
105.07016	14.6
107.04938	2.5
107.08573	11.0
109.02926	1.0
109.06479	6.7
109.10152	7.1
113.05997	7.1
115.05379	1.0
117.07004	2.3
119.08571	10.5
121.06481	9.3
121.10133	31.2
123.04424	3.0
123.08033	2.8
123.11679	3.6
125.09650	0.9
129.06978	1.6
131.08562	6.8
133.06490	3.2
133.10115	12.9
133.51343	1.0
135.04443	1.7
135.08049	4.5
135.11682	6.5
137.09569	1.3
141.05469	1.9
142.07719	1.8
143.08540	2.8
145.06505	1.6
145.10132	7.1
147.08051	3.9
147.11659	2.7
149.05927	1.8
149.09593	17.2
153.05408	1.9
155.08536	3.1
156.09399	1.4
157.10150	4.8
159.08025	6.7
159.11653	2.8
161.05959	1.6
161.09608	2.8
161.13210	1.3
163.07492	2.8
163.11174	2.6
165.05449	5.0
167.08505	1.1
169.10110	2.6
170.10915	1.0
171.07909	1.2
171.11702	2.3
173.09583	9.0
175.07521	3.5
175.11130	1.9
177.05464	7.9
177.09067	12.7
179.06989	4.0
179.08539	1.4
181.10159	1.1
182.10870	2.0
183.07974	1.6
183.11636	3.2
185.09613	1.8
185.13284	1.3
187.07550	1.4
187.11212	2.0
188.08281	0.9
189.05515	2.7
189.09148	2.0
189.16382	1.0
191.07022	2.5
191.10602	5.4
193.10083	1.1
195.02773	1.0
195.06500	3.6
195.10045	1.3
195.11685	1.4
197.09550	1.3
197.13220	3.3
199.11243	1.4
200.08362	1.4
200.11961	1.2
201.09062	9.6
201.12708	1.0
203.07031	2.9
203.10680	3.1
203.14276	1.0
203.17964	1.5
205.08589	5.9
207.06523	2.4
207.11766	1.5
209.08067	3.4
209.09816	1.3
209.13327	1.6
210.10390	1.4
211.07556	1.4
211.11154	2.6
211.14836	1.3
213.09167	1.7
213.12830	1.3
213.16301	2.2
214.09735	1.1
215.10681	2.3
215.14339	2.5
215.17896	1.9
217.08592	1.0
217.12195	0.9
219.10077	9.9
221.08055	3.5
221.11639	1.7
223.09497	4.5
225.07439	1.8
225.12791	2.4
227.10641	2.1
227.14301	1.2
229.08551	8.1
229.12289	2.4
231.09917	1.4
237.12823	2.6
239.10719	1.2
243.10011	5.2
243.13773	14.3
247.09630	1.2
247.13272	1.6
249.12720	1.3
251.17693	1.9
253.12181	5.0
253.19487	1.4
255.13829	1.2
257.11877	1.1
259.13309	1.5
261.10938	1.1
261.14893	3.9
265.12180	2.8
267.13782	4.9
271.13242	12.1
271.20773	1.2
273.14764	1.4
275.12772	1.8
277.14517	1.3
279.17383	1.5
281.18967	3.9
285.14771	12.3
286.15100	1.1
289.14291	100.0
290.14639	4.1
299.16379	2.5
307.16901	6.5
309.14783	1.2
319.16934	1.4
323.16400	3.2
323.20135	2.8
325.17929	24.8
326.18237	2.1
333.18320	1.3
337.17862	3.9
341.17358	1.2
341.21057	12.3
342.17960	2.5
343.18982	33.8
344.19467	2.2
351.19315	1.7
355.19156	3.6
369.24435	1.0
375.23181	4.8
393.24194	15.4
411.25250	89.0
412.25620	6.4
419.97409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2525
Annotation	Kermadecin H
Peak:m/z	Relative Intensity
50.86401	1.7
55.01831	1.8
55.05510	8.5
56.22614	1.5
56.81412	1.6
57.01729	1.6
57.03412	2.6
57.07052	6.5
59.04982	3.6
67.05493	15.8
69.03399	4.9
69.06753	2.3
69.07059	25.8
69.94781	12.9
71.04987	9.0
79.05489	11.9
81.03379	3.9
81.07049	22.3
83.01315	2.9
83.04952	4.5
83.08607	4.7
85.06532	1.9
91.05478	11.5
93.07038	18.7
94.58154	2.0
95.04943	5.6
95.08598	14.0
97.06512	3.3
97.10117	6.5
105.03353	2.1
105.07029	15.7
107.08579	17.6
109.06486	5.9
109.10124	6.9
110.88106	1.4
111.08101	2.3
111.11684	2.4
113.06008	2.9
117.06966	2.9
119.08583	10.6
121.06478	4.7
121.10133	9.8
123.04385	3.6
123.08025	4.1
123.11699	8.8
125.09571	3.5
129.06955	4.5
131.08539	4.8
133.10109	14.8
135.08014	3.6
135.11678	12.5
137.09647	2.1
139.11153	2.1
142.07675	2.2
143.08536	4.7
145.10081	6.0
147.07999	1.9
147.11662	6.3
149.09531	5.2
149.13258	2.6
151.11134	3.2
155.08582	1.9
157.10092	10.7
159.07980	2.7
159.11714	9.9
161.13223	2.2
163.11159	4.0
165.09038	2.1
167.08539	2.4
169.10097	4.4
171.11649	6.1
173.09578	9.7
173.13203	5.0
175.11171	15.5
177.09096	3.1
179.10648	7.2
181.10043	2.6
182.10767	2.3
183.11682	5.7
185.09650	3.2
185.13214	9.8
187.07431	2.5
187.11156	4.3
189.12563	3.2
191.06960	2.5
193.10052	3.7
195.10121	2.5
195.11696	3.1
197.09615	2.2
197.13170	2.4
199.11124	8.0
199.13121	3.6
199.14876	2.5
201.12692	5.8
205.08582	13.7
205.12210	2.4
207.11780	2.1
209.13208	5.5
211.11200	4.3
211.14793	4.2
213.12740	15.8
214.13531	11.2
215.10551	2.1
215.14250	11.9
217.12253	3.0
221.13213	3.0
223.09589	13.0
223.14636	2.7
225.12683	3.7
225.16330	4.4
227.14284	4.2
235.14740	2.4
237.12761	4.2
237.16330	2.7
251.14165	2.2
251.17789	5.3
253.15866	9.2
259.10690	2.2
261.16162	2.9
262.16983	2.5
263.14258	2.4
265.12158	3.0
267.13730	2.5
269.17554	4.2
271.02222	3.0
277.19379	7.0
279.17441	4.6
281.15286	5.2
281.18658	2.7
283.13150	1.8
285.14658	3.4
289.15421	2.6
294.19669	2.0
295.17319	2.9
295.20462	12.7
299.01917	12.1
305.19046	8.8
307.16760	7.7
307.20065	2.6
323.20041	17.9
325.17865	18.6
326.18323	2.4
335.12851	1.8
337.17761	2.8
337.24969	2.2
339.08926	2.1
341.20871	6.1
343.19019	41.0
344.19308	3.0
347.23517	5.7
349.25360	2.6
355.07919	5.3
357.21368	2.0
365.24689	16.2
375.22913	9.9
383.25644	2.1
393.13217	4.1
393.24182	100.0
394.24326	9.4
411.14551	15.1
411.25214	81.4
412.14529	2.5
412.25461	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	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.05500	0.6
57.03429	4.7
61.02905	1.7
68.28242	0.6
69.03419	9.0
69.07042	2.7
69.91668	4.4
70.06554	1.2
71.01339	1.8
71.04980	3.0
73.02895	1.8
81.03383	0.8
81.06013	0.7
85.02881	0.9
91.05449	1.6
93.07037	0.9
95.04961	1.0
95.08586	1.3
97.02877	0.7
99.04433	2.5
105.06982	1.8
107.08583	1.1
117.05492	1.2
121.10071	0.8
123.04403	3.2
132.06841	1.5
139.03868	0.7
145.07576	4.2
146.08371	2.7
147.04343	1.4
147.09146	83.2
148.09482	1.5
159.09158	2.9
160.09952	0.8
161.05942	1.2
162.12091	0.6
163.03891	1.6
173.07124	0.9
173.09428	0.7
173.10788	1.2
174.66270	0.7
177.08990	0.6
184.09940	1.2
185.10686	4.1
191.08124	85.3
192.08467	1.1
197.10696	0.8
199.12329	1.2
205.08556	2.4
207.06468	1.1
223.09705	2.0
231.06441	0.6
245.12782	1.0
249.11110	1.2
259.06073	4.4
263.13861	6.8
267.13907	0.7
281.14920	49.9
282.15292	1.1
283.13205	0.7
289.11731	1.1
307.12872	12.4
307.16425	1.5
325.13907	100.0
326.14169	2.7
343.18997	8.7
350.13327	4.0
375.23242	0.8
394.12399	21.3
411.10800	4.2
411.16260	1.9
411.25040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.128
Annotation	Aloenin
Peak:m/z	Relative Intensity
52.08601	0.4
53.03717	0.4
53.03931	2.8
55.01858	0.7
59.16356	0.5
61.32920	0.4
64.60983	0.6
67.01845	1.5
67.05478	0.5
68.99789	1.6
69.03429	2.5
69.07050	2.1
69.69694	1.1
69.70107	2.9
71.04971	1.2
76.02297	0.5
79.05463	1.2
81.03381	1.1
81.07050	0.9
83.04975	0.7
83.08596	0.8
85.02893	3.3
91.05438	0.8
93.07040	1.0
95.04955	5.4
95.08591	1.4
97.02858	2.0
97.06519	0.9
105.03379	31.3
105.07027	1.1
106.03715	0.5
107.04919	0.6
107.08580	1.1
109.02831	0.6
111.00783	0.5
113.06014	0.6
115.05459	0.5
117.06971	0.5
119.08542	0.7
121.06491	1.6
123.04431	2.5
127.03873	0.8
128.06210	0.6
129.06967	1.5
130.05052	0.6
131.08565	1.0
131.63214	0.5
133.06477	0.7
133.10126	0.9
135.08043	1.2
139.03738	0.6
141.06961	0.9
143.08562	0.6
144.05644	0.6
145.06505	1.0
145.10136	0.9
147.04384	0.9
149.05939	1.5
153.01807	93.3
154.02151	1.4
157.06445	0.8
158.07239	0.8
159.08040	1.5
161.05992	1.4
161.09647	0.6
163.03827	0.7
167.06952	1.0
171.08046	0.6
173.09508	1.1
175.07581	1.0
177.05423	0.6
184.07332	0.5
185.06007	1.2
185.09781	0.5
189.09117	0.7
191.03366	2.3
192.07927	0.5
193.08562	0.6
201.09081	1.6
203.06985	5.4
205.04941	0.9
205.08585	0.9
209.04356	0.8
213.05521	2.4
216.04193	2.1
217.04778	0.6
219.06523	8.3
223.09679	1.6
229.04930	1.9
231.06493	61.6
232.06911	2.4
233.11726	4.0
249.07550	100.0
249.11142	6.5
250.07922	3.2
257.04312	0.6
258.04865	0.6
259.05237	1.8
260.05273	1.2
261.05429	1.1
285.06491	0.8
288.05789	0.6
289.06042	1.4
291.06693	1.8
307.17154	0.5
313.06183	0.8
315.06674	0.8
325.17886	1.7
343.18890	3.2
375.22824	0.9
411.11969	2.0
411.19095	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	410.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.70515	3.3
55.01856	4.9
55.05512	18.0
57.03422	11.2
57.07062	6.7
67.05499	42.6
69.03416	15.4
69.07059	32.3
70.06589	4.8
71.04977	47.5
71.59781	3.4
76.02224	5.4
79.05486	33.0
80.19012	3.5
81.03390	7.4
81.07044	68.1
83.04955	8.0
83.08611	13.2
85.02907	30.4
85.06518	16.3
91.05492	19.0
93.07036	50.6
95.04960	7.4
95.08601	66.1
97.02888	8.5
97.06535	21.1
97.10139	4.9
99.08149	4.1
105.01915	4.2
105.07034	14.6
107.04915	4.3
107.08597	31.8
109.02872	4.9
109.06515	4.7
109.10142	25.1
111.04419	5.0
111.08065	6.8
112.58073	4.0
115.07559	6.3
117.07022	4.7
119.08555	15.0
121.06497	9.0
121.10111	16.7
123.03516	5.5
123.04413	100.0
123.08079	6.2
123.11703	4.9
124.04761	6.5
125.05952	5.5
126.09133	30.0
127.03927	7.6
127.07538	7.2
127.11159	6.9
129.05424	4.2
129.07056	3.5
130.05003	5.8
131.08554	5.8
133.10089	21.0
135.08043	4.5
135.11682	91.7
139.03957	4.0
139.07518	12.4
143.07048	5.1
145.04994	4.6
145.12238	12.1
149.05885	3.7
149.13228	23.6
153.09109	5.1
153.12737	24.8
159.11702	17.5
161.06006	8.7
161.09766	4.4
161.13263	25.1
162.02217	9.6
167.14281	7.3
177.12741	31.8
177.16367	21.6
179.14288	27.5
195.13780	75.7
195.17398	9.1
197.15273	9.7
201.14755	4.0
207.97272	3.9
213.12871	4.0
213.14836	71.9
213.18330	8.4
213.64197	3.9
223.09645	5.4
231.15923	39.4
231.19484	4.8
234.99236	5.6
248.12817	97.9
248.15390	5.2
249.11102	12.1
257.04495	10.9
258.04736	20.2
271.19153	36.1
301.14392	6.0
325.18094	4.5
343.18875	7.0
375.18207	5.6
392.21075	7.7
410.09601	18.6
410.22421	33.1
411.20059	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	410.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	0.8
55.05478	0.7
57.03427	4.0
57.07057	0.5
58.99569	2.8
61.02902	0.9
69.03423	5.0
69.07074	1.9
69.89613	2.8
70.06576	0.4
71.01347	0.5
71.04996	2.1
73.02897	0.9
75.04461	0.4
75.88987	0.4
79.01610	0.3
81.03407	2.0
81.07042	0.8
85.02873	1.2
85.06502	0.8
86.99030	1.0
91.05470	0.6
93.07018	0.5
95.08593	0.8
97.02857	0.7
97.06551	0.5
98.21427	0.6
99.04426	1.4
99.08106	0.5
107.08552	0.7
109.10120	0.5
115.07549	1.0
118.06503	0.6
120.08067	0.6
121.10091	0.6
123.04411	0.8
127.11189	5.3
133.10045	0.4
135.11679	0.5
141.12708	0.9
145.07588	3.1
146.08331	0.6
147.09167	6.6
149.13206	0.5
159.09151	6.4
160.09953	0.7
163.08650	1.2
167.14261	0.8
169.12180	0.5
171.09253	0.5
172.08684	5.6
173.06985	0.5
173.10667	1.0
175.08640	3.6
177.16418	0.7
183.09068	0.5
185.09317	0.4
185.10762	3.1
187.08630	1.1
187.13284	1.7
189.04793	64.6
190.05168	1.6
191.06410	2.5
191.08113	26.5
193.42352	0.4
195.17513	0.4
197.10728	1.6
198.10237	7.3
198.11903	0.8
199.08604	1.6
199.12317	1.6
201.10219	1.0
203.06458	0.9
207.05838	3.3
211.16966	0.6
213.10220	3.4
213.14833	1.6
213.18463	1.8
215.11743	1.2
216.11261	0.6
216.78145	0.4
225.10373	0.9
230.07433	11.4
231.06091	0.5
231.08203	3.0
231.11227	0.6
232.09004	20.6
233.09332	1.0
243.11224	1.2
245.09302	0.7
245.12881	0.5
257.04477	0.8
258.04739	0.5
263.13855	0.5
271.10724	1.5
274.10077	0.6
276.07980	17.1
279.13461	1.0
289.11780	8.8
289.14096	0.4
323.10556	7.7
366.14795	22.9
367.14996	0.8
392.11746	0.5
410.13766	100.0
410.17722	4.6
411.14142	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	410.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03134	0.4
53.12948	0.3
55.01873	0.4
56.05023	0.3
56.72405	0.3
57.03420	1.0
60.04502	0.7
61.02915	1.2
67.05484	0.6
68.99777	0.9
69.03095	0.4
69.03422	3.2
70.06590	0.5
70.59327	0.3
71.04965	0.4
71.78671	0.3
72.08132	0.7
73.02880	0.7
77.84972	0.3
78.03423	0.3
79.04221	4.7
79.05473	0.7
81.03420	2.0
81.07050	0.6
81.54807	0.3
83.04963	0.6
85.02893	4.1
85.06516	0.3
87.04459	0.7
87.51662	0.3
93.07043	0.6
95.04948	0.5
96.04479	72.4
97.02884	2.3
97.04802	1.1
99.04436	0.5
105.06991	0.3
107.04935	0.3
107.08570	0.4
109.02837	0.3
109.06514	0.5
111.08089	0.3
115.05420	0.3
119.04927	0.4
122.02414	0.4
123.04417	2.4
123.08057	0.4
124.04741	0.5
127.03921	0.9
135.04410	0.7
135.08015	0.4
137.02353	0.4
139.03880	0.7
140.10611	0.6
147.04414	1.3
149.09619	0.5
151.03876	0.5
153.01807	9.1
159.04399	0.3
161.05972	0.5
162.05470	0.9
163.03972	1.8
164.03320	2.1
165.05449	0.3
167.06984	0.3
170.07051	0.3
175.03851	0.5
177.05334	0.3
195.10149	0.9
202.04979	0.4
203.03391	3.6
206.04520	0.4
213.11183	0.7
219.06548	3.5
224.05469	0.3
229.04938	0.4
230.04451	11.4
231.08543	0.4
231.12152	0.3
245.04442	0.7
246.04852	0.5
248.05508	100.0
249.05824	4.2
255.32809	0.3
257.04474	0.9
258.04688	2.0
259.05853	1.4
260.06363	0.7
271.06137	0.4
272.06427	0.3
276.05957	0.4
284.06360	0.6
287.05536	0.7
288.05811	1.5
307.19278	0.3
374.21555	0.5
390.73233	0.4
392.08392	0.4
392.22665	1.0
410.10706	43.1
411.11026	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	409.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01873	1.6
55.05505	12.9
56.56474	0.6
57.03432	7.7
57.07065	3.4
59.05006	3.5
65.03936	2.8
67.05498	100.0
68.05833	1.6
69.03419	2.0
69.07058	9.3
71.01348	2.8
71.04983	5.2
77.03937	0.8
79.05486	27.0
81.03391	4.0
81.07045	24.8
82.07394	1.1
83.01356	0.7
83.04981	6.4
83.08614	6.9
85.02893	1.2
85.06557	4.3
91.05470	15.4
91.06041	1.0
93.07034	29.7
94.07368	0.9
95.04967	4.8
95.08598	8.6
97.06523	7.4
97.10159	6.0
99.08077	1.5
105.03439	0.9
105.07009	5.8
107.05000	1.4
107.08580	20.2
109.06522	2.3
109.10144	62.2
110.10477	1.2
111.08044	3.8
113.05956	1.1
117.06997	4.4
119.08572	7.8
121.06532	1.8
121.10147	6.5
123.04422	0.8
123.11728	2.1
125.09641	0.9
127.06010	0.8
130.07782	1.1
131.08586	1.8
133.10126	3.4
135.08092	1.3
135.11679	31.7
136.12036	1.3
137.06021	1.1
137.09634	3.6
139.03905	0.8
143.08487	0.7
145.10117	6.8
146.10469	0.8
151.07608	0.8
153.05405	0.6
153.12692	1.8
154.58661	0.7
155.10638	3.9
160.40332	0.6
161.09685	0.9
163.11188	6.2
167.03371	1.3
173.09612	2.1
173.11722	26.0
174.12090	0.9
175.11272	0.8
179.03336	0.8
181.12186	5.9
191.07039	1.7
192.02544	0.8
199.13339	1.5
205.08635	0.7
209.08009	3.2
210.08727	0.8
229.05016	1.0
229.12260	0.9
235.09615	1.0
245.04585	1.2
251.09181	1.5
257.04330	3.7
279.17197	0.9
287.05554	0.9
289.14230	1.7
315.15836	1.0
317.21121	0.8
323.16446	0.7
325.18002	1.2
336.25629	0.7
339.19583	0.9
358.21146	1.1
373.19986	1.1
391.21176	4.4
409.09045	4.5
409.25888	77.5
410.09683	1.2
410.26035	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	409.2734
Annotation	Callophycoic acid F
Peak:m/z	Relative Intensity
52.60723	0.4
55.05507	4.0
57.03444	0.4
57.07069	10.8
65.03934	0.4
67.05496	4.1
69.03405	0.4
69.07057	5.0
69.57677	3.0
71.08609	0.4
72.08150	4.3
72.98109	0.3
79.05492	2.3
81.07046	6.6
83.04955	0.5
83.08607	1.6
85.02885	0.6
85.06535	1.5
85.29322	0.3
89.06006	0.8
89.73118	0.3
91.05457	2.0
93.07030	4.4
95.04939	0.6
95.08591	5.2
97.06540	0.3
97.10153	0.9
104.13802	0.3
105.03374	1.1
105.07005	3.2
107.04935	0.7
107.08576	6.1
109.06501	2.4
109.10148	7.1
117.07019	0.7
119.04932	0.8
119.08552	4.6
121.06493	1.3
121.10130	5.5
123.08074	0.7
123.11699	2.5
127.07561	1.5
129.06973	0.7
130.08690	0.3
131.08514	2.2
133.06491	1.4
133.08578	0.3
133.10115	3.3
133.43004	0.3
135.04440	0.4
135.08049	1.2
135.11658	2.4
137.05916	1.5
137.09535	0.4
137.13217	0.6
142.07796	1.0
143.08563	1.8
144.09297	0.4
145.10120	2.0
147.08035	3.2
147.11710	1.7
149.09590	1.1
149.13232	1.6
155.07051	1.0
155.08488	0.5
156.09355	1.2
157.10118	3.7
159.08044	1.0
159.11655	2.7
161.06029	0.4
161.09612	0.9
161.13162	1.7
163.11122	0.3
163.14792	1.5
169.08636	0.6
169.10033	0.8
170.10875	0.9
171.08041	0.9
171.11667	5.7
173.09627	1.4
173.13194	2.5
175.11195	0.6
177.09100	1.0
177.16414	0.6
181.10118	0.8
182.10921	0.5
183.08075	0.5
183.11652	1.0
185.09578	1.4
185.13269	3.1
187.07582	0.4
187.11200	0.8
187.14841	1.3
189.09094	0.8
189.12714	0.7
193.10149	0.5
194.10995	0.6
195.10066	0.9
195.11852	1.3
196.12488	0.9
197.09567	0.5
197.13258	1.4
199.11090	2.0
199.14803	1.9
201.12775	1.1
201.16284	0.6
203.10626	0.6
206.10767	0.4
207.11711	0.8
208.12476	0.5
209.09694	0.6
209.13210	0.9
210.10291	0.4
211.11189	1.1
211.14848	1.3
212.11900	0.4
213.09135	0.6
213.12709	1.2
213.16330	3.8
215.17918	0.8
220.12498	0.4
221.13351	0.7
223.11246	0.6
223.14807	1.3
225.09505	0.3
225.12762	0.9
225.16313	0.6
227.10623	0.9
227.14334	1.3
227.17863	0.6
229.12285	0.9
233.13373	0.4
235.11256	0.6
235.14793	0.7
236.11987	0.4
236.15498	0.6
237.12787	0.8
239.10551	0.5
239.14337	0.7
240.57172	0.3
241.12222	1.8
241.15912	1.1
243.13797	0.5
247.10957	0.4
247.13106	0.7
249.12886	0.7
251.10632	0.4
251.14232	0.7
253.12070	0.6
253.15849	0.5
253.19591	0.9
255.13745	0.8
255.21098	2.9
257.15326	1.0
259.13049	2.3
261.14844	1.0
263.10843	0.5
263.14209	0.7
264.15094	0.4
265.12280	0.8
265.15860	1.1
265.19598	0.8
267.13812	0.9
267.17456	0.4
269.15417	1.1
273.14853	1.4
275.16400	1.0
277.12216	0.5
277.15820	0.8
278.13254	0.5
278.16745	0.4
279.13840	1.9
279.17096	0.6
281.15372	1.5
281.18399	0.4
283.16974	1.0
283.20496	5.8
285.15085	0.5
287.16425	1.6
289.15729	0.4
291.13947	0.4
292.14594	0.6
293.15298	1.7
293.18762	0.6
295.16827	1.1
297.14847	0.8
297.18268	0.6
299.16452	1.2
301.17996	0.8
305.15482	0.6
305.18930	0.5
306.16119	0.5
307.16885	2.8
307.20337	0.6
309.18515	1.4
311.16379	1.4
313.17957	1.1
315.19690	0.5
319.16898	0.5
320.17844	0.5
321.18668	1.6
321.21841	0.5
323.20175	1.3
325.17947	3.3
325.21658	2.0
327.19531	2.4
331.20578	0.5
333.18457	1.2
335.20029	1.9
339.19540	2.8
341.21042	1.2
348.20892	0.5
349.21585	4.2
351.19626	0.5
353.21072	4.4
361.21249	0.5
363.26688	0.9
366.21909	0.6
367.22659	6.7
373.25388	1.6
381.27847	0.8
388.46524	0.4
391.21240	0.7
391.26297	11.6
392.26810	0.6
404.59589	0.4
409.27328	100.0
410.27747	5.5
419.53098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.7
55.05495	8.2
57.03418	5.0
57.07093	2.4
61.02911	3.2
67.05495	11.0
68.99803	5.7
69.03423	10.2
69.07056	11.1
70.06584	2.3
70.12846	4.7
70.13257	7.1
71.04964	3.5
73.02882	2.6
77.48107	2.3
78.01798	3.8
79.05486	10.6
81.03415	3.7
81.07053	29.4
83.01276	1.8
83.04984	5.1
83.08611	6.2
83.34871	1.8
83.37827	1.8
83.50259	1.9
84.04479	4.1
85.01094	1.9
85.02904	32.3
85.06520	10.7
91.03934	3.2
91.05466	10.6
93.03412	4.6
93.07029	26.5
95.04975	10.8
95.08588	33.3
97.02893	7.0
97.10172	3.3
99.08086	61.1
105.07024	16.8
107.08582	45.0
107.09251	3.8
109.02892	6.4
109.10156	17.5
111.04439	10.3
111.08100	5.1
113.05972	2.2
113.09632	3.6
116.01656	4.5
116.51485	2.2
116.91972	1.8
118.01259	4.4
119.08572	46.6
121.02855	81.0
121.03784	4.1
121.10143	20.2
122.03181	4.8
123.04393	12.2
123.08080	4.2
123.11684	6.0
124.07526	1.9
126.09121	3.3
133.10124	78.9
134.10461	3.8
135.04388	2.8
135.11676	41.8
137.06047	2.5
137.09592	10.8
138.05470	3.7
139.03888	5.1
141.01857	2.9
141.05367	2.0
145.04924	3.4
147.04405	5.0
147.11673	5.8
149.02260	2.2
149.13272	5.9
151.03918	5.4
153.01810	36.2
153.05316	1.9
157.06494	3.1
157.10376	2.0
159.06508	3.0
159.08321	3.1
161.05869	2.5
162.02217	4.4
162.05470	3.4
163.02585	1.9
163.03885	65.5
163.14806	86.2
164.01772	1.9
164.04196	2.8
164.15233	2.7
165.01788	14.5
165.83704	2.0
167.03403	3.7
175.03894	10.2
175.14815	60.0
177.01828	33.1
181.12206	2.0
181.15833	24.7
182.15321	5.4
183.02884	12.2
183.15712	8.3
185.05980	2.5
187.03908	3.3
189.01834	5.9
189.05566	2.2
191.03354	18.6
193.15863	46.6
194.16176	2.5
195.02873	36.3
195.04543	3.3
197.06029	2.3
199.16896	22.3
200.16454	3.6
201.16844	6.1
203.03416	4.3
205.04962	2.5
207.02896	3.7
209.04507	2.4
211.16904	100.0
212.17274	6.0
213.05580	4.5
219.02876	14.7
229.04892	4.1
229.17976	97.0
230.18309	6.1
231.02917	20.6
231.06554	2.6
241.04880	7.5
243.02968	4.7
245.04478	3.4
246.17007	4.1
247.05991	52.7
247.13503	3.9
247.17171	5.3
247.19412	2.8
248.06245	3.5
249.03955	6.7
257.04413	10.9
259.06027	48.5
260.06406	4.6
260.11407	2.5
261.03931	4.2
261.10788	4.8
262.10950	11.5
263.11227	3.2
271.05988	44.7
272.06586	3.2
272.25122	2.2
283.06033	7.1
285.07623	3.3
287.05487	3.7
289.07001	28.4
290.07446	4.5
313.07028	45.9
314.07330	5.4
325.07092	35.3
326.07242	4.0
327.08578	3.8
337.06961	14.8
355.07919	9.6
373.09015	9.2
373.22437	3.2
391.07996	3.9
409.09244	20.2
409.18094	8.9
410.12027	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81064	1.9
55.05497	9.1
57.03428	2.9
57.07059	5.2
59.04986	3.9
65.94769	1.8
67.05492	37.5
67.29718	2.0
69.03412	4.6
69.07058	13.0
71.04984	17.0
77.26446	1.9
79.05481	18.1
81.03397	3.6
81.07048	20.1
83.04977	3.1
83.08600	5.2
85.06549	3.0
91.05473	17.2
93.07032	21.8
95.04961	4.3
95.08599	19.5
97.06540	3.8
97.10151	4.3
98.20540	3.8
105.03398	2.7
105.07008	14.4
107.04953	2.2
107.08581	19.7
108.05821	2.2
109.06516	11.8
109.10133	25.8
111.08041	3.3
117.07020	5.6
119.08556	13.9
121.06459	6.3
121.10167	9.9
123.08053	8.9
128.06213	2.3
129.07010	5.1
130.07809	4.3
131.08562	10.3
133.10129	6.0
135.08020	16.2
135.11664	15.1
137.09639	2.5
143.08557	8.0
145.06433	4.0
145.10155	10.5
147.08005	4.0
147.11668	8.3
149.09601	29.2
152.05922	1.9
156.09308	2.5
157.10133	13.1
158.07239	3.2
159.08057	12.4
159.11665	5.0
160.08826	5.6
161.09572	2.5
163.07372	2.4
163.11142	4.2
167.08479	2.8
169.10120	4.6
171.08023	4.5
171.11618	3.8
173.09590	31.8
173.11751	7.3
173.13153	2.6
173.40808	1.9
175.11189	27.8
177.09109	2.6
177.12712	5.8
179.08531	4.3
181.10063	3.8
181.12172	2.5
183.11694	4.6
184.08772	2.3
185.09616	14.0
185.13286	2.6
187.11153	3.5
188.08313	5.5
189.09106	4.1
190.99962	2.1
191.06911	2.8
191.10667	3.1
193.10211	3.5
195.11690	5.2
197.09593	4.3
197.13153	3.2
199.11147	9.3
201.12581	3.0
203.10631	61.9
204.09270	3.5
204.11015	4.8
205.10143	3.8
205.12178	2.4
206.10905	2.8
207.11731	4.1
207.13766	2.3
208.12497	2.6
209.09644	3.4
209.13217	5.7
211.11139	4.9
213.09161	1.9
213.12677	5.3
215.10641	2.5
215.14383	2.3
217.10190	2.6
219.09871	3.6
219.11862	11.3
219.13657	3.7
220.12338	3.4
221.09637	2.8
221.13229	6.2
222.10309	4.2
223.11214	20.6
223.14772	3.4
224.11758	2.5
225.12744	2.8
227.10699	4.7
229.52144	3.4
231.11711	9.6
232.12332	2.8
233.13399	5.2
235.11176	4.9
235.14761	4.1
236.11839	2.7
237.07477	2.2
237.12784	7.5
239.09064	3.1
239.14308	3.0
245.04459	3.1
245.13284	8.4
246.14055	7.3
247.11140	16.3
247.14824	5.1
248.11931	3.3
249.12749	5.9
250.13374	3.7
251.14264	9.5
253.15967	2.2
257.04474	11.8
259.11172	5.1
259.14758	3.7
260.11755	2.8
260.15512	6.7
261.12732	3.9
261.16336	21.2
262.13507	5.8
262.16702	4.9
263.14215	11.1
264.14960	3.2
265.12216	4.6
265.15808	7.9
273.12598	4.5
274.13412	10.6
276.15024	3.5
277.15820	23.3
278.16498	8.7
279.14188	3.7
279.17429	15.7
287.05316	2.5
288.15164	4.0
289.15872	56.6
290.16138	4.9
291.13806	4.2
291.17371	20.7
292.18161	31.8
293.18912	48.1
294.19458	3.8
295.16736	2.9
303.17386	19.2
303.20801	4.0
305.15234	5.1
306.16104	4.1
307.16882	56.0
308.17188	7.4
311.19931	6.9
317.15219	2.5
319.17062	3.3
320.17651	6.3
321.18475	73.8
321.21616	3.2
322.18744	3.6
323.16577	2.4
331.20413	15.4
335.23749	2.6
339.19547	20.4
340.19693	2.8
345.22064	2.5
349.21454	5.3
357.20447	6.0
359.20151	16.3
363.23145	100.0
364.23431	9.1
373.21097	2.0
377.21106	6.4
381.24219	58.9
382.24509	6.5
391.22629	50.2
392.23041	5.0
409.09137	6.0
409.23511	67.6
410.24100	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01857	6.1
55.05516	3.1
57.07066	30.8
61.61061	2.4
62.79856	2.7
67.05490	10.5
69.07052	7.1
69.68776	9.3
69.69193	11.8
71.04990	2.8
71.43818	2.5
75.57791	2.3
79.05477	8.5
81.07059	11.8
83.04959	4.6
85.06536	16.2
91.05462	7.7
93.07032	11.4
95.04925	5.6
95.08584	9.7
99.04450	4.7
105.03371	25.6
105.07041	17.6
107.08582	22.8
109.06509	4.4
109.10144	12.5
113.73138	2.5
117.06984	5.4
118.65550	2.7
119.04919	2.7
119.08551	10.8
121.10135	25.3
122.10909	21.5
123.04389	2.6
123.08027	3.7
123.11687	28.9
125.02345	14.0
133.10112	7.1
134.10899	7.7
135.08006	4.5
135.11668	5.9
137.02347	4.2
139.03908	4.3
139.91533	2.5
141.01859	4.3
145.10161	6.1
149.02377	5.4
149.05952	4.3
153.01839	2.9
163.07501	6.1
165.05412	2.7
167.03372	35.7
169.10179	3.2
173.05908	2.9
173.09584	9.2
175.11156	3.2
177.05505	6.2
177.09033	2.8
179.03404	6.8
187.11064	2.7
191.03333	8.1
191.07008	17.9
191.10780	2.5
192.07755	4.2
209.08055	100.0
210.08824	28.0
211.09639	2.6
213.03874	4.2
219.10181	15.1
223.09622	7.3
237.11183	28.3
247.13347	3.2
251.09152	24.5
252.09912	5.9
257.11795	5.0
269.10236	15.2
275.12808	9.7
283.13101	3.8
289.14334	4.1
295.13162	2.9
297.14844	10.5
301.14233	8.4
311.20145	3.1
315.15829	44.9
323.16711	3.0
329.21124	3.4
331.19019	12.9
337.18002	2.8
341.17169	4.4
343.19122	12.2
357.20673	6.0
358.21332	44.9
376.22314	12.9
391.21097	66.6
392.21719	2.8
409.21719	29.8
425.27017	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2215
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
55.01858	3.6
55.05503	4.7
57.03415	2.2
57.07059	3.5
67.05498	10.2
68.33044	1.7
69.03426	4.7
69.07052	5.2
69.92493	11.0
71.04989	16.7
74.11648	1.6
79.05481	11.8
81.07052	8.8
82.71695	1.7
83.08587	2.7
85.06506	1.9
91.05468	11.5
93.07032	13.7
95.04938	7.1
95.08592	9.4
97.06512	2.6
97.10127	1.8
98.21439	2.4
99.08090	2.0
105.07003	21.7
107.04942	4.2
107.08569	15.0
109.06488	7.6
109.10133	8.8
111.04424	2.4
113.05974	5.2
115.05473	2.0
117.07007	7.8
119.04940	4.0
119.08571	12.5
121.02852	3.2
121.06486	2.4
121.10130	41.1
123.04435	4.1
123.08028	6.0
123.11671	9.2
123.13943	1.7
125.02309	3.4
127.07526	6.8
128.06223	2.9
129.06946	2.3
131.08559	3.9
133.06454	6.0
133.10101	26.8
135.08026	6.3
135.11671	20.1
137.05930	4.8
139.03871	7.4
143.08530	2.9
145.06476	4.9
145.10101	4.6
147.04382	2.4
147.08046	2.3
147.11646	4.5
149.05971	3.1
149.09616	2.8
151.03934	2.7
151.07494	4.7
152.46227	1.7
152.55080	1.9
153.05418	2.2
155.08583	2.7
157.10081	3.1
159.08072	3.4
159.11699	2.9
161.05992	6.7
163.03871	2.2
163.07536	18.9
163.11134	1.5
165.05505	8.0
165.09113	2.9
167.03355	2.3
171.08064	1.9
171.11690	2.3
171.19469	1.5
173.05969	8.4
173.09593	5.8
175.07593	2.9
175.11163	5.3
177.05522	2.2
177.09068	3.3
179.06985	6.2
181.04958	15.5
185.13181	2.0
187.07457	3.2
189.09145	2.2
191.07011	31.7
193.08534	3.0
193.12219	2.0
197.08057	6.3
197.09673	2.0
197.13127	1.7
199.39503	1.8
201.12704	2.6
203.10674	5.1
205.08606	8.2
207.10071	2.7
209.08061	34.6
211.11340	2.7
215.06998	2.3
217.08458	2.7
221.08060	2.9
225.12714	3.7
227.10835	2.1
227.14230	1.7
229.12166	9.6
233.05956	3.3
233.08063	31.3
235.09592	3.6
239.14117	2.0
241.12209	5.5
243.13654	3.6
251.09090	26.6
253.10713	2.0
257.04379	5.9
257.15341	2.6
259.13190	2.3
267.13742	5.9
267.17459	2.4
269.10147	9.8
283.13263	4.5
285.14825	16.7
285.18301	4.1
289.14255	2.9
295.16891	5.7
297.14871	2.7
303.15808	9.9
309.18533	5.3
311.19980	4.9
313.17877	11.1
317.17667	2.7
327.19604	5.5
331.18893	4.8
337.17950	14.2
339.19476	2.7
345.20648	4.5
355.18985	31.5
373.20056	33.6
391.21106	100.0
392.21524	5.1
409.09174	3.2
409.22363	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	409.2217
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
55.01857	4.8
55.05494	11.0
63.27763	2.2
63.54906	2.1
67.05494	14.9
69.03413	4.2
69.07047	9.8
69.83985	14.6
69.84400	4.8
71.04984	23.3
79.05473	15.5
81.03400	15.3
81.07043	16.5
83.01307	4.3
83.08601	6.4
85.06521	4.2
86.04922	2.6
91.05447	12.1
93.07022	16.3
95.04970	13.1
95.08578	10.1
97.02904	2.6
97.06493	5.5
97.10136	7.4
103.05455	2.7
105.07020	22.5
107.04974	4.3
107.08555	18.6
109.06495	10.6
109.10133	11.7
111.04420	3.4
111.08074	3.2
113.05962	9.8
117.07001	7.5
119.04974	5.8
119.08567	11.9
121.10119	45.0
123.04435	5.5
123.08042	8.9
123.11684	10.5
125.09593	7.7
127.03895	2.7
127.07518	5.6
129.07002	3.0
131.08548	7.4
133.06432	5.4
133.10091	12.8
135.04352	3.1
135.08015	9.5
135.11693	28.9
137.02354	3.6
137.05975	7.3
139.03867	10.4
143.08531	4.8
143.77449	2.7
145.06471	5.8
145.10136	5.4
147.04248	3.0
147.08022	6.0
147.11693	7.6
149.06044	3.3
149.09596	3.3
151.03952	4.2
151.07526	7.5
153.05412	5.8
153.08983	3.9
155.08604	3.3
157.10091	3.4
159.07962	4.2
159.11722	4.7
161.05948	7.2
161.09592	4.7
163.07503	21.3
165.05481	6.8
167.03456	4.8
169.04924	4.3
171.07887	3.4
173.05998	6.7
173.09601	9.5
175.07495	6.2
175.11143	10.0
177.05434	3.1
179.07033	7.1
181.04961	12.5
183.11572	4.3
191.07019	46.0
193.12225	11.2
197.08032	5.5
197.13141	2.7
199.07596	5.0
201.09192	3.8
201.12750	2.7
203.10658	10.1
205.08565	9.1
207.10075	5.8
209.08080	31.6
217.08553	7.0
223.09465	3.3
225.12817	4.1
229.12157	12.5
233.08037	30.8
235.09648	5.1
239.14218	4.2
241.12170	9.1
241.15865	2.9
243.13708	6.7
251.09082	27.7
257.04355	15.6
257.15295	2.7
259.13361	2.9
267.13556	5.7
269.10193	7.9
279.13736	3.2
283.13275	6.3
285.14804	14.1
285.18167	5.5
289.14401	5.8
295.16904	7.0
303.15955	6.7
304.15146	2.4
309.18460	10.1
311.20007	5.4
313.17990	17.6
327.19437	7.2
331.19125	4.9
337.17911	11.1
339.19757	3.6
345.20630	19.4
355.18869	33.7
356.19312	3.3
373.20068	37.2
391.21109	100.0
392.21552	3.7
409.09109	9.1
409.21432	26.8
409.26294	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	409.2214
Annotation	CHEBI:67682
Peak:m/z	Relative Intensity
55.01847	3.9
57.07065	32.6
61.67725	2.6
67.05491	2.8
71.00239	5.9
74.92793	2.4
79.05486	4.2
79.67376	2.5
81.07057	14.3
83.01331	3.1
85.06537	4.2
91.05450	6.4
93.07025	7.6
95.08594	8.5
99.04449	4.0
105.07005	9.0
107.04955	2.6
107.08581	15.4
109.06480	6.1
109.10143	7.1
117.06986	3.7
119.08582	6.6
121.10113	24.8
122.10914	16.9
123.08054	9.7
123.10996	3.5
123.11716	29.6
125.02370	5.6
133.10048	2.7
135.08032	7.3
135.11707	6.4
137.02361	5.1
146.36952	2.9
149.05986	3.8
163.07545	11.0
167.03378	11.4
171.38593	2.8
175.11165	4.5
179.03352	25.2
181.04930	3.4
185.09633	3.4
189.09070	2.8
191.06984	46.7
192.07559	3.0
197.04472	7.9
197.08086	3.6
205.08591	7.7
209.08061	100.0
210.08792	24.4
213.03868	3.4
219.10158	15.3
223.09645	6.0
229.12250	2.8
233.08194	3.2
235.09618	3.6
237.11171	18.7
243.13957	2.9
251.09090	23.9
252.09836	7.7
257.11694	3.7
269.10013	13.4
275.12823	9.1
293.19131	3.3
297.14920	7.3
301.14334	18.9
313.17987	4.1
315.15903	33.8
319.15381	8.2
331.18967	17.5
332.19583	4.9
340.20294	3.2
343.18961	8.5
357.20551	6.5
358.21326	51.9
359.21405	4.0
376.22375	11.7
378.89685	2.8
389.19284	2.8
391.21124	69.8
392.21497	4.9
409.22064	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	409.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09988	3.0
53.50344	3.2
55.05505	6.6
57.07064	39.1
58.66258	3.3
67.05483	12.9
69.80022	19.1
69.80431	6.4
79.05461	9.1
81.07049	16.3
83.04952	4.4
85.06535	9.3
91.05482	9.4
93.07030	11.6
95.08582	8.1
98.21423	6.5
99.04407	7.0
105.07023	12.5
107.08553	16.5
109.06476	7.8
109.10144	13.3
119.08569	11.1
121.10138	29.6
122.10920	13.1
123.08058	9.7
123.11697	31.7
125.02338	8.0
127.03984	3.5
129.09111	3.3
131.08534	4.0
134.10852	5.6
135.08046	8.6
135.11697	8.2
137.02368	6.8
145.10223	3.5
149.02347	4.1
149.06004	4.9
156.43724	3.3
159.11711	4.0
159.61092	3.5
163.07524	11.8
167.03354	18.7
173.09615	5.5
175.11307	4.0
179.03381	25.1
187.99234	3.1
191.03320	6.7
191.07018	50.1
192.07733	5.2
197.04427	7.3
205.08640	5.1
209.08057	100.0
210.08775	25.8
210.12025	3.1
213.03972	4.6
216.18231	3.8
219.10173	17.6
223.09618	8.2
233.08000	5.6
237.11214	23.1
251.09099	17.6
252.09946	7.6
269.10178	13.9
275.12790	9.8
289.14233	5.4
297.15005	5.2
301.14362	13.9
313.17853	4.5
315.15887	49.3
319.15405	11.9
325.32727	3.5
331.18808	18.8
343.18994	8.0
357.20578	6.8
358.21292	51.5
359.21851	4.6
376.22467	13.0
391.21115	72.8
409.22079	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	409.1996
Annotation	3'-geranylchalconaringenin
Peak:m/z	Relative Intensity
50.01591	0.4
51.02367	0.7
53.03940	3.1
55.01851	0.3
57.07069	0.2
58.24697	0.1
67.05486	0.3
71.81274	0.1
71.81644	0.1
77.03902	0.9
81.03437	0.5
81.07045	1.0
83.01323	0.1
91.05460	0.2
93.07015	0.2
95.04956	9.3
95.08583	0.3
105.03379	100.0
106.03709	2.0
107.08579	0.4
109.06516	0.2
109.10135	0.3
118.06522	0.2
119.08553	0.2
121.10126	0.3
123.11692	5.2
124.12038	0.1
133.10107	0.3
135.11714	0.6
137.05959	0.3
153.05435	0.3
165.05461	4.8
167.07040	0.2
173.09645	0.1
177.05417	0.1
179.06973	0.1
201.21181	0.1
209.13403	0.1
213.09024	0.1
225.09044	0.3
227.14360	0.6
257.08075	0.3
269.08093	0.9
269.15292	1.4
271.09579	0.3
271.13254	0.3
285.14816	0.1
287.16400	2.7
373.18039	0.2
391.18994	11.2
392.19305	0.9
409.20032	4.5
409.25974	0.2
409.27725	0.1
410.20264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.05509	3.9
56.05831	1.5
57.03421	1.0
58.99572	2.6
60.99148	1.6
65.03918	0.7
67.05490	1.1
68.99783	3.3
69.03417	1.2
69.07072	0.5
69.45396	7.1
70.06606	0.9
76.02219	2.1
78.01789	2.0
78.69469	0.6
79.05469	1.8
80.41993	0.6
81.03400	0.7
81.07026	3.5
82.07355	2.0
83.08614	5.4
84.04489	5.7
84.08936	2.7
85.02885	2.1
85.04823	1.6
86.09731	0.7
86.99052	1.9
88.02187	0.6
91.05495	1.0
93.07015	0.7
95.04949	2.5
95.08580	1.2
97.06510	0.7
98.09683	1.1
98.20674	1.1
99.10020	0.7
100.80992	0.6
105.03389	2.4
105.07008	1.2
107.04912	1.8
107.08567	0.9
109.02890	0.8
110.66677	0.7
111.00811	1.4
111.04440	1.2
116.01680	7.6
117.01984	2.5
117.07012	0.6
118.01237	1.8
119.01598	1.0
119.04949	1.4
121.02828	3.3
123.04419	43.1
124.04744	1.8
124.07578	2.4
125.07909	0.9
128.06270	0.8
129.06555	1.0
130.05009	1.1
131.04884	1.2
133.10091	1.7
135.04427	0.8
137.02373	1.0
139.03899	5.3
141.00055	0.9
144.01144	2.7
145.01453	1.5
145.06606	0.7
146.00711	1.2
147.01003	0.7
147.04362	3.5
149.02348	1.8
149.05914	0.8
151.03900	6.0
153.01787	1.6
153.06956	1.2
156.10156	0.9
157.06544	0.8
158.08002	1.2
159.04385	1.0
159.06377	0.7
159.08424	3.3
160.08739	3.1
161.05956	1.4
162.02199	11.2
163.02478	4.3
163.03885	3.8
163.14815	0.9
164.01732	1.6
165.01913	0.9
171.01062	1.4
173.05934	1.1
175.03909	7.1
175.14815	0.8
177.01878	1.3
177.05452	4.3
177.09380	1.0
180.99516	0.7
181.06453	0.7
183.02887	0.7
185.05922	1.5
187.03873	4.0
189.05441	4.7
191.03299	3.2
193.04942	13.3
195.02866	1.6
197.05814	0.7
198.07867	1.3
199.08659	1.9
200.09393	1.0
201.05426	4.2
202.06258	0.8
203.03374	15.1
203.06688	0.7
204.03725	1.1
211.08673	3.4
211.16881	1.2
212.09534	1.0
213.05475	2.0
213.10213	2.4
215.03363	5.5
215.11809	1.5
217.04901	3.9
217.09702	1.9
219.06587	1.0
223.07475	0.8
223.12660	0.7
225.10187	3.6
229.04927	11.7
229.09721	1.5
229.17990	0.9
230.05597	2.4
230.10802	0.7
231.06425	2.4
237.05437	1.5
239.08160	4.6
239.11740	3.9
240.08931	2.2
241.04932	2.4
241.09708	5.2
242.10483	0.8
243.07657	0.8
243.11264	6.3
244.11642	0.7
245.04420	20.5
246.04718	1.1
246.07928	0.8
247.06000	2.1
248.12868	1.2
252.09096	0.7
253.09756	5.7
255.06552	2.6
257.04425	32.5
257.09201	2.5
257.12756	1.3
258.05005	6.8
259.05978	8.3
259.10571	3.1
260.06317	0.7
260.11420	2.0
261.10800	4.4
262.11029	12.3
263.11389	7.5
265.04993	0.9
267.07675	2.1
267.11285	4.3
268.08365	5.4
269.04486	1.4
270.04492	0.8
271.06061	13.5
271.10699	27.4
272.06281	1.6
272.11121	1.1
273.12350	2.1
275.10239	1.9
277.11865	3.0
279.06607	0.8
279.13751	1.6
280.13922	2.3
281.09296	1.1
282.10004	0.8
283.06000	17.9
284.06256	1.2
285.08847	1.4
285.12296	5.2
287.05463	54.9
288.05685	4.8
288.12485	0.7
289.07123	0.8
289.11752	2.2
295.10727	4.2
297.07578	4.0
299.05499	9.3
299.09177	0.8
299.10355	0.8
300.11050	1.2
303.10098	0.9
303.13425	1.3
313.07126	1.8
313.11768	7.6
317.11258	2.1
318.11969	1.3
323.10165	7.6
325.07108	2.5
327.13300	1.9
329.15024	0.9
331.12872	1.2
334.14993	2.7
335.12354	2.8
341.11310	16.3
342.11880	1.0
345.14401	2.3
349.13940	0.9
355.12885	3.3
359.12411	2.2
367.07968	1.8
373.09195	1.2
373.13873	13.2
374.14243	1.1
391.08267	3.6
391.14890	20.9
392.15295	1.1
409.09125	80.8
409.15967	100.0
410.09427	9.0
410.16309	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.3
55.05470	1.7
56.96557	67.3
57.03427	12.6
61.02913	9.9
69.03424	22.4
70.06542	5.4
70.08513	4.7
70.08928	4.9
71.04935	5.2
73.02906	9.4
74.97573	3.2
76.98881	1.5
77.00856	3.1
81.03410	8.8
83.01303	1.7
83.04953	1.7
84.04478	3.2
84.08072	5.4
84.96018	11.3
85.02895	43.0
86.03197	1.7
86.09648	6.2
87.04422	4.2
89.03872	3.2
91.03923	2.4
94.12100	1.6
95.04906	2.6
97.02883	34.6
98.03187	1.7
98.97572	73.6
99.04399	5.6
99.97905	2.2
100.99133	8.6
101.00868	9.0
101.02354	1.6
101.05953	1.9
102.05480	2.3
102.96961	3.1
103.02405	2.7
109.02803	7.3
110.96926	1.4
110.97558	16.7
112.05020	4.9
112.08649	2.8
112.99100	8.9
113.00809	3.6
113.02298	1.8
113.03468	10.0
115.00618	2.1
115.02359	3.7
116.07011	3.3
116.98604	54.4
117.01955	1.5
117.03275	2.6
119.00146	9.2
119.01907	31.3
120.01943	2.2
120.97855	1.6
121.01571	4.5
121.03454	2.3
123.05516	2.4
124.99026	2.3
127.00674	2.4
127.02380	2.0
127.03914	19.5
128.98587	34.0
129.98911	1.8
130.08551	5.9
130.09624	4.0
130.93253	1.7
131.00154	18.0
131.01863	18.2
131.99078	3.3
132.10165	2.5
133.01645	5.2
133.03444	12.7
133.04910	2.5
134.00603	2.6
134.99641	26.1
135.03172	1.7
135.04315	6.7
136.06087	9.2
136.07152	2.0
137.01120	3.3
137.02820	5.6
137.04652	2.2
138.05289	1.6
139.00670	1.6
140.00598	2.2
140.02266	2.0
140.98514	3.8
140.99516	1.7
141.02061	2.1
143.00192	10.0
143.01880	17.6
144.01787	2.7
144.97972	2.7
145.01588	7.6
145.03488	21.9
145.04938	8.3
146.99631	35.2
147.03130	4.6
147.04184	3.2
147.05084	3.7
148.03769	5.0
149.01228	22.7
149.02808	6.0
151.02664	3.4
151.04417	1.7
152.98470	2.9
153.00525	2.8
153.02275	2.5
155.01767	15.8
157.01591	5.9
157.03439	11.8
158.01196	3.1
158.99644	20.0
159.04932	7.6
160.02783	2.0
161.01112	20.9
161.02832	33.0
161.04369	3.2
162.02998	2.6
162.99074	4.8
163.02629	31.5
163.03853	27.4
164.04221	4.4
165.00568	6.8
165.02138	1.7
166.99425	2.2
167.02080	5.2
168.75204	1.8
169.01598	2.3
169.03328	3.6
170.01408	2.7
170.99524	16.3
171.01073	2.9
171.04889	5.5
173.01106	5.6
173.02821	26.7
173.04552	3.9
173.06363	4.4
174.00108	2.1
174.99150	2.6
175.02632	9.9
175.04385	8.6
177.00719	27.9
177.04140	4.8
177.05997	3.1
178.04945	11.4
178.54967	1.9
179.02226	9.7
180.04402	6.0
181.03748	12.9
182.99594	2.5
183.04829	4.0
184.04611	3.2
185.01088	4.9
185.02811	10.6
185.06383	4.4
186.99080	4.0
187.00740	2.9
187.02649	8.5
187.04382	13.2
187.06027	3.1
188.04395	1.7
188.96992	3.3
188.99165	2.0
189.00708	23.7
189.02267	4.9
189.04308	2.3
189.05966	8.9
190.95145	2.3
190.98508	2.1
191.02068	6.0
191.03824	5.5
191.05573	3.4
193.00085	5.9
193.03580	5.3
195.01576	2.7
197.02753	6.9
198.04019	1.5
199.00710	2.9
199.02512	2.5
199.04376	3.7
200.02466	4.1
200.04289	2.8
201.00670	18.1
201.02322	3.8
201.04146	2.5
201.06085	8.4
203.00443	2.0
203.02106	8.8
203.03841	11.3
203.05540	3.6
203.07504	5.9
205.00009	3.1
205.03810	15.3
205.05499	3.1
206.02689	4.1
206.97928	2.4
207.01598	7.1
207.07173	1.8
209.01178	2.2
209.03073	2.5
211.04568	11.5
212.02547	2.5
213.06093	2.7
215.03752	3.9
215.07533	3.6
216.99930	3.3
217.01773	5.9
217.03734	6.0
219.01724	52.0
219.03616	1.9
219.05077	2.9
220.02235	3.4
220.99422	3.0
221.03108	3.8
221.04880	22.3
221.06981	3.3
223.00938	2.4
223.04764	19.4
224.07924	2.9
225.00241	1.9
225.05984	1.8
229.03647	5.0
229.05573	2.7
230.03610	1.7
231.01534	2.8
231.03510	4.9
232.96321	3.0
235.04607	3.1
237.02791	100.0
238.03139	8.4
238.05104	1.7
238.88248	1.7
241.01608	3.8
242.03191	3.0
243.07054	2.0
245.04968	18.9
246.05057	3.5
247.04700	9.3
247.06647	4.0
247.16525	1.8
248.05481	2.3
251.04179	6.2
252.91658	2.7
254.03682	1.8
255.00989	3.6
255.03668	6.4
255.06129	1.8
257.04568	2.5
259.06729	3.5
260.04269	3.0
261.02570	4.5
261.08179	10.9
263.04108	6.9
265.05560	3.5
265.07913	2.7
269.05145	2.7
271.06421	3.4
272.06531	3.3
274.06110	2.3
275.06262	1.9
277.05682	7.3
279.03619	6.2
279.09314	18.1
280.09222	2.0
281.02380	2.0
281.05182	19.2
281.08749	7.4
286.02115	1.9
286.97223	2.3
287.08804	2.7
288.09631	3.9
288.98654	2.3
289.03802	5.1
289.07324	3.1
290.09079	6.2
290.58615	3.0
291.03513	3.9
291.08875	9.3
293.05173	8.1
295.06946	18.3
296.07199	6.8
299.03058	2.2
301.03763	2.6
303.09290	9.1
304.06940	2.7
305.05167	5.5
305.07355	2.0
305.10617	14.2
306.05795	3.3
306.09390	2.5
307.07181	34.0
309.04587	5.5
309.07803	2.5
312.06628	3.1
313.07294	2.8
314.07535	2.3
317.01575	3.4
317.06976	3.9
319.02570	2.2
319.08823	3.2
321.04578	2.3
321.09778	4.7
323.06134	6.7
325.07993	13.9
329.07224	2.3
333.59842	1.9
335.08359	1.9
337.07819	7.2
347.07819	2.1
349.00479	2.1
349.04166	6.6
349.07816	18.7
349.12979	3.2
355.08801	3.1
359.07849	3.1
367.04892	4.8
367.08716	17.9
377.03973	2.5
391.07074	3.7
391.10858	2.2
409.09677	74.9
410.09845	3.1
415.88754	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26622	1.1
53.03924	1.1
55.05496	3.4
57.03421	1.4
57.07052	1.8
67.05511	5.7
69.03419	3.7
69.07060	8.4
69.11034	1.0
69.64301	2.1
69.64705	9.2
71.04976	4.8
78.49040	1.2
79.05487	4.2
81.03382	1.3
81.07041	10.6
83.04958	1.5
83.08582	7.0
83.29577	1.1
85.02905	7.5
85.06518	2.4
86.09697	1.7
91.05458	4.1
93.07031	7.5
95.04966	2.3
95.07993	2.2
95.08596	27.4
96.08907	1.3
97.02825	1.2
97.06520	7.1
97.10093	1.4
98.21464	2.4
99.04449	2.4
105.03390	4.7
105.07008	4.5
107.04971	2.1
107.08595	10.9
109.02881	1.3
109.06498	4.7
109.10144	17.3
111.08063	3.1
115.07544	4.6
119.08586	10.0
121.06453	1.1
121.10160	6.1
123.04420	2.6
123.08047	3.0
123.11715	6.3
125.09621	2.3
127.03882	2.5
129.05476	1.1
133.09204	1.6
133.10117	14.1
134.03261	1.0
135.10727	1.8
135.11674	17.6
137.02367	2.2
137.09601	5.2
139.11206	1.4
145.10130	2.0
147.11681	1.7
149.13272	5.6
151.11133	1.6
153.01775	2.4
153.12773	2.0
154.87645	1.3
163.03902	1.6
163.14798	3.1
167.14268	1.8
169.12181	1.3
175.14804	25.1
181.15839	6.7
193.12260	1.3
193.15866	31.8
194.16222	1.9
203.03340	1.4
211.13374	4.5
211.16910	100.0
212.17252	2.4
221.68155	1.1
227.12766	1.5
229.04951	2.2
229.08575	5.1
229.17960	13.2
245.04391	2.2
246.04796	2.4
257.04449	7.7
258.04745	4.1
263.05588	1.4
274.04306	3.3
287.05649	2.9
287.09024	2.4
288.05716	3.8
303.05029	1.7
304.05273	6.4
312.05887	1.3
319.01236	1.4
328.05258	4.0
354.06879	2.3
372.07794	8.3
373.22189	1.8
390.09091	4.2
408.09927	10.0
409.09338	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	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05504	1.3
57.03422	0.6
57.07049	0.7
61.02912	0.6
62.62388	0.5
67.05489	1.3
68.99778	0.8
69.03416	1.2
69.07062	5.3
71.04623	1.1
71.04986	14.6
71.05372	0.8
71.81564	1.1
79.05472	1.5
81.03395	1.5
81.07036	3.4
83.04967	1.1
83.08602	1.2
84.71351	0.6
85.02895	3.1
85.06519	2.3
91.05457	1.6
93.07046	3.6
95.04987	1.2
95.08590	7.7
97.02847	1.1
97.06537	2.8
97.10129	0.8
99.04439	40.7
99.08077	1.0
100.04752	0.9
105.07005	1.8
107.04939	0.8
107.08566	6.1
109.06541	0.9
109.10124	6.6
111.11649	0.6
113.09604	4.8
115.07552	2.8
119.04926	1.1
119.08556	4.0
121.10126	2.1
123.04391	1.8
123.08049	1.3
123.11700	2.8
124.12122	0.5
125.09609	2.4
133.10101	5.1
135.04388	0.9
135.11674	16.6
136.12012	0.6
137.05969	0.7
137.09573	1.4
139.11124	1.0
141.09109	1.1
141.12694	2.1
145.04944	0.8
147.04353	1.8
147.11707	0.7
149.13190	1.3
150.45445	0.5
151.07510	0.7
151.14786	3.3
153.01740	2.0
153.12706	1.5
161.06044	0.6
163.03856	0.6
169.15858	0.8
175.14827	7.6
193.15884	8.5
203.03357	2.0
211.16901	100.0
212.17259	6.3
217.05031	1.0
218.05292	0.9
229.04976	2.3
229.08427	2.8
229.14087	0.7
244.06987	0.5
245.04442	20.9
245.06915	1.3
246.04767	36.8
247.04825	2.6
255.06412	1.4
257.01697	1.1
257.04416	22.8
258.05124	1.3
262.04327	0.6
283.05978	1.6
287.05478	1.6
408.09952	7.2
409.09174	11.3
409.15228	1.0
409.16516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
55.05501	1.3
57.03416	0.8
61.02908	1.0
65.73492	0.4
67.05481	4.3
69.03408	1.9
69.07063	3.1
69.77245	0.7
69.77657	3.3
71.04989	1.1
76.30577	0.4
79.05490	2.3
80.73476	0.5
81.03392	0.7
81.06609	0.7
81.07048	10.3
82.36669	0.4
83.04974	0.9
83.08604	1.5
85.02888	5.5
85.06547	1.1
91.05481	4.5
93.07037	2.9
95.04950	1.6
95.08581	3.2
97.02869	1.8
97.06514	3.3
98.21442	0.9
99.04426	0.6
105.07014	5.3
107.04967	0.6
107.08585	3.9
109.06516	2.3
109.10115	1.4
111.04446	0.9
113.05925	0.6
119.08568	7.1
121.06482	0.5
121.10126	5.0
123.04456	0.7
123.08035	0.9
123.11687	6.2
125.09558	1.0
127.03907	1.0
129.05453	0.7
129.06985	1.1
131.08553	1.1
133.10094	3.3
135.11697	1.7
145.04967	0.8
147.11668	25.9
149.09648	1.0
149.13205	1.2
151.03874	0.7
157.10141	4.3
163.03874	1.1
165.12740	11.5
169.12178	0.6
175.11171	5.9
175.14815	4.0
177.05353	1.0
193.12219	3.0
193.15842	3.3
211.13222	5.0
211.16908	9.1
219.06563	0.6
228.12283	0.6
229.14326	100.0
230.14665	2.3
245.04350	1.6
246.04810	0.6
247.05937	1.6
257.04471	3.9
391.21194	0.6
409.09094	2.9
410.53796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62584	1.4
55.01849	2.2
55.05504	3.8
57.07044	3.1
59.04976	1.5
61.02939	1.9
62.06064	1.7
67.05493	12.5
69.03408	5.2
69.07056	9.6
70.06566	4.7
71.04971	4.5
71.79435	3.7
76.58356	1.4
78.29842	1.4
79.05473	3.8
81.07037	17.3
83.04951	4.4
83.08599	4.5
85.02892	6.6
85.06526	5.2
86.09708	10.1
91.05445	4.3
91.16677	1.6
93.07024	13.2
95.04950	4.7
95.08588	26.2
96.08956	2.4
97.02831	1.7
97.06492	3.1
99.04433	2.6
99.08087	1.7
105.07015	9.0
107.04951	2.6
107.08572	14.9
109.02933	1.6
109.06522	7.5
109.10134	22.4
111.08065	3.2
111.78203	1.5
119.08562	26.3
120.08078	2.9
121.10110	5.2
121.98600	1.6
123.04433	2.8
123.08064	7.8
123.11681	17.5
125.06023	1.9
125.09615	5.9
131.04910	1.9
131.08531	1.9
133.10109	13.6
135.11670	21.2
137.05948	2.0
137.09605	5.8
147.04314	1.6
147.11671	4.5
149.13249	5.1
151.07536	2.9
151.11157	3.0
151.14813	4.9
155.10555	2.5
156.85786	1.7
165.09081	1.5
175.14801	30.2
193.12201	3.1
193.15848	40.1
211.13332	10.2
211.16905	100.0
212.17218	2.8
229.17903	14.5
245.04439	2.4
246.04068	6.5
246.11250	5.2
257.04388	8.2
258.04810	5.9
270.04868	1.6
279.13864	2.0
287.05588	3.5
288.05658	2.9
312.05856	2.3
409.09006	6.6
409.13852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01850	1.3
55.05499	3.3
57.03424	1.4
61.02902	1.7
65.55657	0.5
67.05492	8.5
69.03416	3.1
69.07053	7.0
70.87440	0.6
70.87782	2.1
71.04975	1.1
76.76618	0.5
79.05470	3.7
81.03387	1.0
81.07045	32.1
81.39567	0.5
83.04977	2.9
83.08617	4.4
85.02383	0.8
85.02892	14.8
85.06519	1.7
87.04468	0.7
91.05459	7.6
93.07024	4.2
94.40272	0.6
95.04924	0.6
95.08598	6.0
97.02880	4.3
97.06498	2.6
97.10129	0.7
99.04427	1.2
99.08047	1.5
101.05991	0.6
105.07011	14.4
107.08570	7.7
109.02824	0.9
109.06493	2.2
111.08056	0.8
113.05920	0.7
119.08566	12.8
121.10128	13.7
123.08049	1.7
123.11692	18.5
127.03878	2.5
127.07516	2.3
131.08534	1.1
133.10106	1.7
136.11926	0.6
137.13168	0.9
140.16699	0.6
141.09081	1.0
145.04938	2.7
147.11665	51.3
148.11958	1.7
151.14760	0.7
157.10107	1.6
165.12730	36.2
175.11191	1.1
177.91751	0.6
180.08649	4.4
183.12259	1.1
183.13794	13.1
189.05739	0.6
193.12207	4.8
211.13280	6.5
229.14316	100.0
230.14648	2.8
246.16914	0.9
257.04395	1.6
311.14569	0.7
409.08853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
57.03429	2.2
57.07070	73.7
58.07416	1.4
63.99589	0.7
67.05491	8.2
69.03407	2.1
69.07058	21.4
70.07409	1.1
70.40160	1.1
70.40514	3.7
71.05008	1.0
75.24956	0.8
79.05477	3.2
81.07065	6.3
83.01328	6.7
83.04965	3.3
83.08614	1.0
85.06531	10.5
91.05463	4.0
93.07044	4.5
95.08595	48.7
96.08947	1.1
98.20790	1.2
105.07008	5.5
107.08593	6.8
109.06479	2.8
109.10135	2.2
111.08039	0.9
114.41883	0.8
115.05463	0.9
119.04932	4.2
119.08559	3.5
121.06505	1.4
121.10116	3.1
123.08056	3.2
123.11689	0.9
129.06964	2.6
130.07809	1.6
131.08575	5.7
133.10158	1.5
135.08023	8.4
135.11708	1.3
137.05975	0.7
142.07735	1.3
143.08530	3.2
145.10071	4.9
147.08018	1.2
147.11656	1.2
151.07494	1.1
153.05408	1.2
155.07141	1.6
155.08527	3.5
156.09392	0.9
157.06499	1.5
157.10071	5.1
159.08028	3.2
159.11678	8.8
161.09511	1.0
163.07430	0.8
163.11238	1.4
165.05513	1.4
165.06940	1.8
167.08527	1.3
168.09357	0.9
169.10135	6.4
171.08055	2.3
171.11671	4.2
173.09615	10.9
173.13295	4.7
175.02277	0.9
175.07544	1.1
175.11201	0.9
177.09039	1.5
179.08585	1.9
181.10143	2.8
182.10864	1.7
183.10255	1.3
183.11659	5.7
185.09709	1.5
185.13223	2.1
187.07558	2.2
187.11172	1.0
187.14839	2.3
189.09119	1.3
192.09375	1.0
193.10097	3.7
194.10892	1.1
195.08078	1.2
195.10172	1.3
195.11676	6.9
196.12259	1.0
197.09593	3.7
197.13231	7.0
199.11171	6.4
199.14775	2.2
203.10719	0.8
205.10185	2.6
206.10855	3.4
207.08035	0.8
207.11670	6.2
209.09552	2.1
209.13199	4.8
210.10301	1.2
211.11212	3.2
211.14740	8.4
213.12738	1.7
215.14339	2.0
217.10118	1.5
218.10890	1.4
219.11671	4.4
220.12431	2.5
221.09624	1.9
221.13231	9.5
222.10422	1.3
222.13832	1.6
223.11179	2.7
223.14745	4.1
225.09076	7.8
225.12715	4.0
225.16391	2.7
226.13545	1.1
227.10657	1.8
227.17859	1.0
230.10875	2.0
231.11598	3.0
232.12401	2.0
233.09743	1.9
233.13223	5.9
234.10335	2.0
234.14018	0.9
235.07526	1.5
235.11311	4.7
235.14876	9.2
236.11731	1.4
237.09117	1.2
237.12700	3.1
237.16393	5.0
239.10654	2.4
239.14296	14.8
240.14604	1.3
241.12305	1.1
243.13791	4.9
245.13235	3.1
246.10332	0.9
246.13863	1.2
247.11150	3.0
247.14796	9.0
248.11836	3.4
248.15439	2.0
249.09003	1.1
249.12679	9.2
249.16382	4.9
250.09845	1.6
250.13339	1.6
250.17061	1.1
251.10622	2.1
251.14304	2.7
251.17976	1.7
252.11227	1.3
253.08473	2.7
253.12242	2.4
253.15756	0.8
253.19547	1.4
255.10086	1.3
257.13306	1.6
259.14804	2.4
260.11990	1.8
260.15518	1.2
261.12564	3.1
261.14835	4.2
261.16791	2.3
262.09982	1.4
262.13455	1.9
262.17084	1.7
263.10583	2.0
263.14291	19.5
263.17899	10.0
264.11441	1.1
264.14966	3.6
264.18082	1.0
265.12222	9.1
265.15793	6.3
265.18613	1.3
266.12738	1.6
267.13797	15.0
267.17407	2.2
271.14703	2.0
272.15512	1.2
273.12979	1.7
273.16342	2.7
275.11234	1.3
275.14252	10.4
275.17886	3.1
276.11465	2.9
276.14880	2.5
276.18509	1.2
277.12225	8.7
277.15872	8.3
277.19485	10.3
278.13083	1.7
278.16476	1.9
278.19690	1.3
279.10828	0.8
279.13779	5.6
279.17108	1.6
280.11060	1.0
281.15286	2.4
281.18976	3.2
283.13818	1.5
283.16901	6.5
285.12717	1.0
287.17938	4.6
289.12140	2.2
289.15833	3.7
289.19296	1.6
290.16620	6.8
291.13797	10.7
291.17389	3.4
292.14490	6.0
293.15323	4.8
293.18802	2.1
295.13263	6.4
295.16895	2.8
299.17673	1.0
300.15054	1.2
301.19284	1.7
303.13724	4.6
303.17410	4.8
305.15421	3.3
305.18903	25.2
305.22437	1.3
306.16071	2.6
306.19348	2.8
307.17142	1.3
309.14767	3.4
311.16409	1.3
313.17993	5.9
315.17380	5.5
317.15390	2.1
317.18805	1.1
318.16141	3.8
319.16846	2.1
319.20529	2.0
321.15088	1.5
321.18481	11.5
322.18964	1.2
323.20020	7.4
326.18649	0.9
329.19000	1.4
333.18466	24.9
334.18771	2.3
336.17230	1.1
337.17938	1.8
337.21606	10.4
338.18695	1.4
339.19531	34.2
340.20087	2.0
342.19836	0.9
343.19974	1.0
343.24057	3.8
345.18372	1.0
345.25479	0.9
347.20038	3.2
351.19507	52.7
352.19794	4.3
361.25253	6.9
365.21136	2.6
371.23608	7.0
379.26328	7.3
389.24701	100.0
390.25012	9.2
407.25742	71.3
408.26035	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	407.2422
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
53.24457	2.1
55.01855	6.9
55.05495	9.3
57.07069	15.6
59.04992	3.5
67.05497	18.9
69.03414	10.9
69.07063	17.5
71.04987	5.1
71.81374	3.6
73.06564	3.0
76.15814	2.0
79.05478	20.2
81.03460	2.9
81.07043	18.5
83.01318	2.4
83.04973	3.5
85.06535	4.7
91.05447	16.4
93.07028	31.9
95.04955	15.2
95.08577	18.3
97.06519	5.6
103.05438	3.0
105.07018	33.0
107.04936	6.1
107.08572	33.7
109.06487	16.4
109.10129	15.2
111.08083	6.3
113.05998	3.7
115.05424	2.7
117.06987	7.4
119.04926	4.6
119.08556	18.3
121.06485	9.5
121.10119	40.3
123.04398	4.8
123.08039	6.0
123.11680	18.0
125.05932	2.5
127.65308	2.2
128.06200	5.4
129.06963	4.7
130.07726	2.4
131.08534	7.3
133.06488	18.0
133.10100	30.9
135.08044	17.2
135.11671	70.8
137.05951	58.0
137.09608	10.1
139.11272	3.1
141.05441	3.0
142.07759	3.2
143.08511	8.8
145.06467	4.3
145.10100	15.8
146.07205	4.2
147.08032	7.1
147.11676	9.1
149.02246	3.2
149.09592	11.9
151.03888	3.9
151.07497	11.2
153.05432	14.1
155.03415	4.0
155.06960	2.5
157.10126	9.5
159.08063	4.5
159.11676	7.0
161.05940	6.3
161.09587	30.6
163.07513	11.1
163.11153	6.4
165.05481	5.4
165.09042	3.8
167.03362	3.0
167.08504	2.4
167.10704	6.6
169.08611	2.3
169.12253	4.8
171.07997	12.5
171.11632	4.3
173.09581	15.5
173.13188	3.2
175.07530	3.6
175.11157	23.7
177.05524	2.8
177.09114	5.8
177.12712	5.8
179.07040	8.1
179.10706	2.4
181.08598	4.4
181.10060	2.8
185.09599	3.1
187.07495	3.3
187.11218	2.6
189.05347	2.8
189.09052	22.3
191.06996	46.1
191.10638	6.3
193.08563	5.0
193.12238	8.2
197.08109	4.3
197.13220	4.3
199.07544	3.6
199.11041	4.0
201.08981	3.6
203.10623	66.9
205.08554	7.6
207.06503	10.8
209.07957	2.9
217.08606	22.1
217.12120	3.3
219.10205	6.0
219.13828	3.3
221.08229	4.4
221.11694	25.0
225.12712	4.0
227.14264	3.1
231.10127	9.1
233.08098	2.5
233.11607	3.0
239.14253	3.7
241.12352	3.5
243.13815	2.7
245.11723	3.6
249.11139	24.3
267.08829	4.5
281.15335	3.7
283.16583	2.9
287.12762	7.6
295.16971	3.8
305.13879	4.7
311.16431	2.8
311.19910	3.5
313.17957	29.1
315.19437	3.4
321.18372	2.8
329.17441	5.8
331.18991	68.2
339.19592	7.9
343.22528	8.0
347.18488	4.0
349.20074	28.9
353.21045	7.1
361.23782	3.6
363.23264	3.4
371.22153	100.0
372.22260	3.2
389.19342	12.1
389.23456	64.0
390.23575	2.4
407.25098	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	407.2426
Annotation	Xenitacin
Peak:m/z	Relative Intensity
51.94674	4.0
53.03936	5.0
55.01849	5.3
55.05494	10.3
55.16100	3.6
57.06802	5.0
57.07067	85.1
58.07433	3.9
59.21183	3.4
67.05499	19.4
69.03415	13.2
69.07054	47.6
71.04977	8.9
71.80679	6.8
79.05479	20.3
81.03372	4.4
81.07048	73.0
83.01323	11.8
83.04964	12.4
85.02892	3.5
85.06542	20.4
91.05476	26.3
93.07027	41.2
95.04946	13.7
95.08598	32.1
97.02845	4.0
97.06512	7.3
105.03395	5.1
105.07020	47.7
107.04944	5.0
107.08569	36.3
108.01410	4.3
109.06497	16.9
109.10158	19.5
111.08038	6.4
115.05434	3.8
117.06994	8.5
119.08569	23.9
121.02846	10.7
121.06454	9.4
121.10135	38.9
123.04416	4.1
123.08059	11.0
123.11697	30.0
125.09585	4.9
128.06226	6.8
129.06987	7.6
130.07704	5.7
131.08519	12.7
133.10124	33.5
135.08049	15.4
135.11684	47.8
137.05940	13.4
137.09592	8.9
139.03954	7.0
141.05481	5.3
142.07803	4.3
143.08551	14.5
145.10094	35.5
147.08086	7.6
147.11702	12.0
149.09575	14.3
151.03908	7.6
151.07529	5.9
153.05475	26.5
155.08545	5.3
157.10114	13.6
159.08051	14.6
159.11690	7.6
161.05998	4.0
161.09598	20.5
163.07504	10.5
163.11195	11.0
165.05458	100.0
167.03372	5.9
169.04936	87.9
171.08035	13.3
171.11647	8.8
172.08777	5.1
173.09608	50.9
173.13223	8.7
175.07509	4.9
175.11165	17.6
176.08270	7.5
177.05374	8.1
177.09100	8.6
177.12790	6.7
179.06987	5.1
181.04962	5.6
181.08611	7.9
181.10077	7.8
183.11655	7.7
185.04456	7.7
185.09642	6.8
185.13295	6.1
187.07535	11.5
187.11128	4.6
189.09090	27.3
189.12790	6.0
191.07028	9.7
191.10628	19.1
193.04889	4.9
195.06438	4.5
195.11832	6.7
197.13266	6.2
199.09639	12.2
199.11259	7.7
199.14867	5.5
201.09064	6.4
203.10681	17.9
205.08530	50.9
206.05634	3.8
207.10094	7.4
207.11798	4.6
209.13248	4.7
211.11218	5.4
213.12651	6.9
217.08601	9.6
217.12160	7.3
219.10110	9.0
220.20616	4.1
221.08052	9.1
221.11632	42.2
223.09570	66.3
227.10773	6.9
227.14369	7.9
229.08629	8.7
231.10052	6.4
235.09641	17.8
243.13850	5.0
245.11673	40.4
247.09613	6.4
249.13042	5.9
253.10654	29.3
255.13754	5.0
259.13223	9.0
263.12708	31.8
263.18176	4.5
273.14676	4.6
285.14774	8.8
287.12573	21.0
291.17139	14.4
293.19034	9.7
295.16995	5.6
297.14499	5.0
299.16620	5.1
301.17975	10.9
303.15903	45.5
305.13763	14.7
311.16400	7.8
311.19876	9.0
313.18005	7.8
315.15707	7.6
315.22925	4.4
321.16873	31.9
322.17191	4.4
323.14944	8.4
327.21585	28.5
329.17453	7.9
329.21069	7.4
333.16785	5.6
339.19540	11.6
345.22214	10.9
353.21024	8.1
357.20535	29.4
360.89673	4.3
363.23151	32.2
371.18060	25.8
371.22232	12.5
375.21735	13.1
387.09006	4.1
389.23743	50.1
401.39059	5.0
407.20605	6.2
407.24896	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2271
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.05493	17.3
57.03424	6.7
62.23735	4.1
67.05506	8.5
69.03432	9.8
69.07047	9.9
69.85694	23.7
70.06582	15.8
70.27126	3.7
71.04972	9.1
79.05464	8.2
81.07034	21.1
83.04972	34.9
83.08605	8.9
84.04495	3.7
85.02889	20.4
85.06524	9.1
86.09686	9.5
91.05452	10.4
93.07040	20.6
95.04948	7.4
95.08608	26.6
97.02868	3.9
97.06530	8.0
99.08112	19.6
103.41709	4.1
105.07034	20.7
107.04980	8.9
107.08585	40.2
109.06527	13.0
109.10146	14.6
111.04442	8.5
111.08101	5.9
119.08579	15.5
119.60873	3.6
121.06492	8.0
121.10123	26.9
123.08067	18.5
123.11716	5.6
125.09599	4.1
127.03906	10.4
128.69376	4.7
131.08554	8.4
133.10126	32.3
135.08035	9.6
135.11646	11.3
139.03871	6.1
139.07574	9.0
145.04926	6.1
147.11673	13.4
149.09602	56.2
149.13240	24.9
151.03879	4.8
151.11168	21.8
153.09088	17.4
157.04977	6.1
161.13258	15.7
163.14743	13.4
166.08551	4.2
171.02061	22.0
173.13214	14.2
179.14272	21.9
191.14299	41.3
192.14684	4.7
193.12224	7.6
197.15331	17.3
209.15337	100.0
209.17287	5.9
210.15700	14.5
211.09651	5.4
211.13167	23.3
227.16399	86.1
229.14372	6.3
245.04431	29.0
245.17500	13.4
257.04333	5.3
373.06757	6.0
407.07571	17.8
407.13593	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	407.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.9
67.05492	3.5
69.03043	2.9
69.03421	56.2
69.07058	34.7
71.06662	3.2
79.05486	6.6
81.07043	4.1
83.01333	12.4
83.04967	2.1
83.08601	1.8
85.02905	2.5
91.05470	9.7
93.07040	6.7
95.04961	3.5
95.08613	4.9
97.10152	15.8
103.05474	2.1
105.07016	81.8
106.07290	1.8
107.05019	1.7
107.08591	9.5
107.09275	1.3
109.10190	1.9
113.02364	1.7
117.07036	7.5
119.04911	2.1
119.08564	19.2
120.43401	1.4
121.06480	1.7
121.10139	10.7
123.08070	3.6
125.06026	1.5
125.09618	2.7
129.06927	2.3
130.07773	6.1
131.08546	10.5
133.06496	3.6
133.10098	3.1
135.08073	2.8
135.11684	2.3
137.05922	3.3
142.07791	4.5
143.08522	5.4
145.10109	86.1
146.10844	4.4
147.11664	53.3
149.05965	8.8
151.07544	3.5
153.09091	53.5
154.09473	1.7
155.03442	2.2
156.09262	1.5
157.10086	9.3
161.06000	2.1
163.11205	4.2
165.05347	1.8
165.06946	1.5
165.12784	3.3
168.09251	2.5
171.07990	2.0
171.10153	49.9
173.09602	56.1
174.09953	2.5
175.11171	58.1
179.07021	2.4
183.11659	7.1
185.13228	4.0
187.11298	1.6
189.09076	1.8
191.10648	100.0
192.11011	3.0
193.12204	22.4
195.11620	2.8
197.13301	2.0
201.09135	3.0
203.06987	3.8
211.11198	6.8
213.12776	9.2
213.16205	1.5
215.14397	2.1
219.10136	18.8
229.12201	12.0
237.11177	30.7
237.13359	2.5
239.10657	6.5
241.12271	7.0
257.11700	21.4
258.12161	1.6
259.13290	32.3
259.33633	1.6
273.21982	2.0
275.12772	4.1
277.14322	1.7
281.18820	1.5
285.11255	7.9
303.12210	24.0
304.12564	1.5
307.17120	1.7
321.13254	29.5
327.19577	4.2
339.14728	2.9
343.18890	3.7
345.20700	5.1
371.18494	5.1
389.19388	18.3
407.20816	3.3
432.27466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	4.6
57.07064	12.6
64.19349	3.6
69.03416	22.7
69.07081	5.9
71.00509	14.0
71.04984	43.6
75.89542	3.8
79.05470	10.0
81.07047	8.8
83.01324	4.3
91.05468	11.8
93.07056	13.9
95.08603	12.3
97.06544	5.7
105.07013	58.5
107.08601	12.3
109.06481	4.6
117.06995	10.3
119.07856	4.2
119.08530	21.5
119.89958	3.9
121.06487	5.8
121.10127	14.7
125.05984	7.9
128.06235	11.6
129.05531	3.8
129.06966	11.2
129.63841	3.8
130.07784	5.7
131.08580	18.6
132.09309	4.5
133.10069	8.7
135.07999	7.2
137.05969	4.3
139.07523	6.1
141.07027	3.9
142.07788	9.0
143.08539	50.5
145.10118	63.5
147.08015	8.5
147.11632	9.4
149.05966	11.4
153.05489	12.6
155.08527	10.8
156.09296	6.8
157.04907	6.9
157.10103	25.8
159.08110	7.1
159.11646	8.9
163.11154	5.6
163.16891	3.8
165.06967	12.6
165.09070	5.3
167.08545	10.0
169.10117	15.7
170.10880	6.4
171.08026	35.4
171.11691	16.0
172.08789	9.6
173.09558	32.2
179.08528	5.6
180.09335	16.0
181.08635	5.2
181.10118	9.4
182.10907	15.5
183.08089	12.3
183.10175	4.5
183.11662	7.9
185.09595	7.0
185.13225	35.6
186.13931	4.6
187.07495	7.8
189.09061	8.3
191.07025	3.8
191.10690	17.9
195.11667	54.9
196.12294	10.7
197.09575	4.9
197.13222	88.2
198.10510	7.1
199.07530	12.7
199.09627	15.6
199.11226	4.9
203.10689	4.9
208.08707	5.6
209.04370	5.9
211.11186	7.3
211.14720	5.2
213.12708	89.0
214.13159	6.6
215.14363	8.8
217.08740	5.5
223.11183	44.4
224.11916	4.7
225.12750	18.3
227.14290	10.5
231.10156	18.3
231.13757	6.3
237.16405	11.8
239.17874	40.9
241.12227	36.8
241.15775	9.1
243.13730	10.1
251.08847	5.0
251.10893	5.3
255.13818	23.1
257.15326	7.9
257.19052	13.5
259.09641	68.2
259.12439	6.7
259.13303	5.6
265.15909	13.3
267.17444	22.2
269.11664	23.1
273.11908	6.3
273.14816	100.0
283.13376	11.5
283.16992	30.4
284.17371	5.3
285.14999	4.7
285.18481	14.4
291.15845	44.1
293.15295	16.6
295.16885	18.4
301.14355	38.6
311.16229	21.5
317.21097	8.7
325.17850	21.5
327.19470	22.8
333.18576	5.8
343.19064	61.4
344.19440	5.0
345.20471	20.8
353.17422	22.7
357.16861	7.6
371.18436	40.2
372.18640	5.6
389.19543	13.2
389.24493	8.6
407.20819	7.1
407.25793	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	407.2059
Annotation	Argentine
Peak:m/z	Relative Intensity
53.03917	2.4
53.98460	2.2
55.05501	5.4
57.07063	5.1
69.03419	21.9
69.07064	5.2
69.58787	6.0
69.59187	23.3
71.04987	27.9
75.88959	2.6
79.05460	3.7
81.07058	6.1
83.01348	4.8
83.04982	5.2
85.02911	3.8
91.05457	5.5
93.03386	3.2
93.07022	15.5
95.04932	3.0
95.08597	8.4
98.69952	2.5
99.04423	2.5
105.07023	59.4
107.08605	11.4
109.06557	3.0
111.08068	4.5
113.01154	2.4
117.06968	3.5
119.04942	4.1
119.08586	14.0
121.02872	5.6
121.06550	4.1
121.10133	6.3
123.11713	6.4
125.02348	3.7
125.05989	6.8
128.06223	7.5
129.05457	5.4
129.07021	5.9
131.08557	8.9
135.08057	3.8
137.06000	4.2
139.07567	5.4
142.07764	6.3
143.08545	35.5
144.09311	3.2
145.10124	39.5
147.11716	19.3
149.06004	8.6
151.07504	3.0
153.05469	7.4
155.08537	8.8
156.09334	5.1
157.04987	5.4
157.10104	24.3
159.08043	3.6
159.11671	5.2
163.07463	5.4
165.06995	8.1
166.07834	2.7
167.07112	3.6
167.08546	5.8
169.10114	7.2
170.10922	3.9
171.08064	23.1
171.11710	11.4
172.08775	3.3
173.09613	27.6
175.11172	28.4
179.08475	2.6
180.09395	10.4
181.04930	3.3
181.10147	6.9
182.10933	11.8
183.08221	6.6
185.08093	7.0
185.09641	5.0
185.13266	30.0
187.07545	4.6
189.09174	4.1
191.10616	16.6
195.11664	55.6
196.12311	9.0
197.04514	5.6
197.09665	4.7
197.13245	67.4
198.10361	4.4
198.13667	3.4
199.07695	5.5
199.09660	21.9
199.11182	5.4
203.10654	7.3
207.11711	4.4
209.04453	6.0
209.09686	3.9
209.13228	5.6
210.10394	4.0
211.11232	6.9
212.11794	3.5
212.26534	2.4
213.12720	83.7
214.13156	5.5
215.14313	7.6
221.13216	3.1
222.13982	3.8
223.11194	28.2
224.11919	4.0
225.12685	15.6
225.16385	2.8
227.10774	5.1
227.14365	8.1
229.15755	4.0
231.10133	18.4
231.13838	8.2
237.16354	13.7
239.17914	29.7
240.18202	3.1
241.12225	32.0
241.15955	6.8
243.13870	5.7
245.15422	3.6
248.49719	2.5
249.16432	4.0
251.08858	5.5
251.11012	5.0
255.13770	24.8
255.17444	6.1
257.15424	7.1
257.19016	3.8
259.09674	34.7
259.13226	7.9
265.15894	12.0
267.14551	2.9
267.17371	14.4
269.11667	18.1
269.15002	2.5
273.14810	100.0
274.15079	3.7
283.13354	12.0
283.16974	32.3
285.18536	9.7
287.12778	5.6
291.15891	30.1
293.15369	10.9
295.16904	10.6
301.14343	30.6
305.13614	3.2
311.16321	19.4
319.15424	9.7
321.14709	3.9
325.18106	16.4
327.19510	24.0
329.17294	3.5
339.15887	8.9
343.18997	63.3
343.23111	4.2
344.19553	5.3
345.20605	12.8
353.17471	15.2
357.16861	5.1
371.18494	39.6
372.19193	3.9
375.18323	4.1
389.19754	15.8
389.24225	3.8
407.20587	3.2
420.18259	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	407.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.0
56.92604	3.4
69.03433	15.8
69.64301	28.4
71.04988	27.2
81.07036	8.3
83.01319	6.4
85.02895	5.8
91.05457	9.6
93.07019	14.0
95.08589	11.7
98.20644	6.1
105.07019	60.3
107.08595	8.8
109.10230	3.0
111.08044	4.1
117.07008	6.9
119.08550	11.1
121.06525	3.7
121.10123	6.3
123.11679	7.5
125.05985	6.5
128.06218	11.5
129.05446	7.5
129.06987	4.5
131.08560	8.5
132.09348	3.7
135.08101	4.7
137.05966	3.9
137.09613	4.4
142.07742	3.6
143.08560	38.6
145.10121	43.6
147.08055	3.6
147.11664	18.8
149.05942	9.7
153.05429	10.7
153.06662	2.9
155.08517	8.4
156.09346	7.3
157.04976	3.4
157.10101	23.3
159.07948	4.0
159.11697	5.0
161.03880	2.8
163.03984	3.2
163.07552	4.1
163.11267	4.4
165.07042	8.5
167.07089	3.7
167.08522	7.6
169.10043	9.0
170.10835	3.4
171.08035	26.0
171.11693	8.3
172.08780	5.0
173.09601	22.3
175.11172	30.7
176.62685	3.0
176.77855	3.3
180.09369	10.0
181.04913	5.4
181.10085	8.2
182.10905	10.5
183.08032	5.3
183.11620	4.2
185.08000	4.7
185.09570	3.1
185.13246	24.3
189.09045	9.0
191.10663	22.8
195.11685	42.9
196.12473	7.7
197.04233	3.2
197.09593	5.7
197.13205	62.0
198.10371	7.6
199.07573	8.3
199.09601	21.8
199.11250	7.1
201.09109	6.5
203.10655	6.0
203.14264	3.4
207.11664	7.6
210.10550	3.5
211.11057	3.9
212.11964	3.5
213.12714	64.2
215.14250	6.6
223.11191	28.0
224.12050	5.2
225.12749	13.3
227.14293	9.6
231.10199	17.5
231.13783	4.0
237.16360	8.5
239.17908	34.4
241.12222	32.7
241.15970	7.1
243.13681	4.1
251.08904	4.7
251.10858	4.2
255.13805	21.6
255.17442	5.8
257.15350	7.5
257.18777	4.1
259.09622	28.4
259.13263	8.2
261.11148	3.3
265.15826	11.8
267.17392	12.9
269.11652	17.3
273.14828	100.0
274.15271	5.3
283.13266	8.1
283.16885	23.9
285.18518	5.5
291.15854	39.9
293.15289	12.7
295.16898	11.3
301.14328	27.4
311.16440	20.3
319.15521	6.7
325.18024	21.6
327.19476	23.2
329.17465	4.8
339.15829	8.4
343.19031	58.9
344.19315	5.4
345.20496	9.9
353.17438	15.6
371.18475	40.0
389.19440	14.8
407.20609	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	407.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23369	0.8
55.05502	1.4
57.03421	3.6
57.07069	35.6
67.05489	1.3
69.03415	6.8
69.07050	1.9
69.64964	0.9
69.65279	8.7
71.05622	0.9
79.05456	2.8
81.07043	1.1
83.01328	1.3
83.04950	1.2
85.06535	5.3
91.05473	3.8
91.58163	1.0
93.07006	2.6
95.05006	0.9
95.08583	1.5
97.02898	12.4
97.06515	2.6
105.07023	61.6
106.07343	1.5
107.08558	3.2
109.59311	0.9
111.04408	1.6
111.08036	2.2
115.03964	1.4
117.06982	1.8
118.46124	1.1
119.08549	3.1
121.06495	1.5
125.09609	3.4
130.07797	2.2
131.08566	19.6
135.08032	1.2
137.18651	0.9
139.03896	0.9
143.08531	1.9
145.10117	18.3
146.10901	14.6
147.11684	10.6
149.05966	10.9
153.09088	2.1
157.10124	1.8
159.11746	1.0
173.09589	11.0
175.11179	2.9
181.08551	3.2
182.10861	1.4
185.13199	1.5
187.05424	1.1
191.10646	24.7
193.12141	5.7
195.11691	2.8
197.13249	2.7
199.09637	100.0
200.09984	3.5
213.12708	4.6
217.08528	1.4
241.12239	1.8
257.11783	1.2
259.13278	19.0
277.14285	1.8
279.41318	0.9
287.12747	1.1
298.14148	0.9
305.13785	1.1
325.17896	1.3
327.19516	1.2
343.19012	3.8
360.30600	0.9
371.18579	6.0
389.19467	2.8
430.43539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05493	1.5
57.03416	1.3
57.07069	1.4
65.03925	1.5
66.14882	0.6
67.05484	2.7
68.99806	0.7
69.03430	3.7
69.07048	1.8
69.71729	4.2
69.72137	1.3
70.06570	0.9
71.04982	2.2
72.04523	3.2
73.02901	1.2
75.04467	4.9
79.01888	0.7
79.05474	2.2
81.07047	2.7
83.04962	1.4
83.08623	0.9
85.02879	2.9
85.06513	2.4
86.09672	1.1
88.02214	3.9
90.56390	0.6
91.05476	11.2
93.07020	3.2
95.04943	2.3
95.08578	3.6
97.02875	1.3
97.06503	1.6
99.04488	0.9
99.05549	2.1
99.08084	0.7
100.32502	0.7
105.07054	3.2
107.04938	2.3
107.08572	3.0
109.06476	1.6
109.10134	2.1
111.04433	1.4
111.08060	1.3
113.05987	1.9
114.03723	1.6
119.04931	27.0
119.08595	1.8
121.06480	1.9
121.10132	1.9
123.04420	1.4
123.08029	0.7
123.11681	1.3
124.07538	1.2
127.03925	0.6
127.07549	0.9
129.06961	0.8
130.08617	1.1
131.04956	0.7
131.08604	0.7
132.04781	3.2
133.06473	2.2
133.10088	0.9
135.04399	2.2
135.08064	1.1
135.11716	1.7
136.66815	0.6
137.06006	1.1
139.03857	8.2
140.04242	1.8
142.08630	6.6
145.10088	1.6
145.95277	0.8
147.04396	100.0
147.11670	1.2
148.04713	0.7
149.05960	0.9
150.06647	1.0
151.07491	1.1
153.01814	1.5
153.05507	0.8
153.09001	0.8
157.10095	0.7
159.05818	2.5
161.05962	1.6
161.09554	0.8
163.07602	0.8
163.11198	1.3
164.11519	0.9
167.07042	4.5
167.08441	1.0
167.41637	0.7
171.04337	0.9
172.23163	0.6
173.06030	1.0
173.09610	2.0
177.05487	1.0
181.08572	0.9
181.10107	0.8
182.12610	0.7
184.09688	2.5
187.03864	1.7
189.05533	1.1
191.06998	1.2
191.10596	1.1
191.18169	0.7
192.11031	1.8
193.08575	3.6
195.10010	0.7
199.04018	0.8
201.05540	1.3
202.02930	0.6
203.03436	0.7
205.08498	0.7
207.11769	0.8
209.07898	0.7
210.12131	1.0
211.09616	7.2
213.05392	0.9
215.03366	1.2
215.06940	0.9
217.04887	2.0
217.08522	0.8
225.05516	1.9
227.03333	1.4
227.12738	0.8
227.20052	1.7
228.04128	2.1
228.13144	1.3
229.04988	1.3
233.04463	2.6
233.08015	0.8
235.07690	0.7
241.04866	1.3
243.11603	1.4
243.13861	0.7
244.03378	0.7
245.04457	12.3
245.12209	0.8
246.05251	4.0
247.02574	0.8
249.03967	4.2
251.09247	2.0
253.04974	1.9
255.06535	1.2
256.03598	3.1
257.04449	6.7
258.04706	0.7
260.03049	1.6
261.03879	5.7
261.12674	38.0
263.05420	1.3
269.04419	2.5
271.06030	1.1
273.03903	45.6
274.04669	21.4
275.05228	1.5
279.06503	1.2
281.04388	1.7
283.06027	2.3
285.03912	7.4
287.05481	10.4
298.04871	1.5
299.05536	6.1
301.03448	2.3
301.07086	1.7
303.04959	59.0
304.05408	3.1
307.06097	1.1
309.07458	5.8
311.05438	3.2
313.03439	2.8
315.04855	3.3
315.08356	1.4
317.06650	1.7
325.07050	5.8
325.18033	0.8
327.04944	23.6
329.06592	0.9
331.15506	1.3
333.06046	3.1
335.05518	1.4
343.08148	2.4
345.05984	1.4
353.06589	10.7
353.17606	1.3
371.07587	57.1
372.07944	3.7
379.08279	0.9
389.08618	27.5
389.19794	2.1
390.09021	1.4
407.09711	65.4
407.16296	50.7
407.20978	3.3
408.10150	2.9
408.16315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0968
Annotation	Lancerin
Peak:m/z	Relative Intensity
50.92318	1.2
55.05511	1.2
57.07067	1.5
58.04384	1.2
65.84647	1.0
67.05498	3.2
67.99689	1.1
69.03421	6.0
71.04956	2.3
71.79036	1.7
72.08138	3.5
79.05467	3.8
81.03398	1.7
81.07037	4.6
83.08585	1.4
84.04499	2.9
85.02895	3.9
85.06530	1.4
91.05462	2.5
93.07038	4.4
95.04960	3.0
95.08610	3.0
97.02898	2.9
97.06523	2.2
99.04411	1.1
104.94579	1.1
105.03387	2.5
105.07021	4.6
106.06533	1.3
107.04951	9.3
107.08592	5.8
108.08909	1.4
109.06519	1.8
109.10135	1.8
117.07036	1.8
119.08561	3.0
120.51463	1.0
121.06462	1.4
121.10152	4.3
122.06110	1.1
122.10454	1.1
123.08031	1.1
123.11741	1.7
127.03912	1.4
130.04924	1.2
131.04880	1.4
133.06461	1.6
133.10133	2.3
134.06020	1.5
135.04375	1.8
135.07976	1.3
135.11662	1.9
137.06015	1.9
145.10063	1.7
147.11737	1.3
153.01804	2.6
156.99908	1.2
161.05968	2.0
164.11504	1.5
167.07042	1.7
173.09584	4.7
180.14708	2.1
181.08543	1.5
191.07069	1.7
198.09097	1.5
199.04074	1.2
199.69792	1.2
203.03325	1.5
209.15332	2.5
210.11987	1.8
210.15674	2.8
211.16878	1.5
213.05486	3.8
215.03455	1.9
215.06944	1.7
217.04979	3.7
221.08112	2.1
225.05347	2.9
227.12723	3.9
228.04155	2.3
228.13148	6.2
229.04987	2.9
229.08630	1.6
233.04391	4.9
233.12849	3.3
241.04897	6.6
245.04422	23.7
246.05121	6.6
249.03874	6.9
251.09184	2.8
253.04935	2.6
255.02766	1.3
255.06516	4.6
256.03641	3.3
257.04416	32.2
258.05115	2.0
260.03214	3.4
261.04285	2.3
263.05447	2.2
265.48068	1.5
269.04370	6.2
273.03906	56.9
274.04654	25.9
274.07416	2.2
275.05182	2.6
279.06546	3.5
281.04437	3.3
282.05069	2.0
283.05884	7.5
285.04013	9.1
285.06824	1.5
287.05493	24.6
287.08728	2.4
288.05832	1.9
296.36642	1.3
297.07611	1.8
298.04486	1.8
299.05496	7.9
301.03458	2.3
301.06815	2.1
303.04968	82.6
304.05270	1.7
307.06067	1.9
308.12369	1.5
309.04077	1.9
309.07266	5.6
311.05502	13.5
311.08936	1.8
313.03589	1.6
315.04977	5.7
317.06650	2.9
318.01474	1.9
323.05420	3.8
325.06842	7.6
327.04971	41.5
328.05469	1.8
329.06577	2.6
333.05957	4.1
335.05441	3.7
341.06647	2.9
343.08200	1.9
353.06512	17.2
353.17538	1.6
360.99228	1.4
361.03842	2.5
362.17044	2.7
371.07571	71.7
371.18384	2.8
372.08038	2.4
375.12128	1.4
384.05307	1.5
389.08615	37.2
389.19479	2.4
407.09708	100.0
407.20758	3.8
408.09958	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	407.0969
Annotation	Lancerin
Peak:m/z	Relative Intensity
69.03398	0.2
69.75902	1.3
71.04966	0.2
81.07011	0.1
81.79638	0.1
83.04951	0.2
85.02877	0.2
95.08620	0.2
105.07014	0.2
121.10181	0.2
135.11737	0.3
143.04893	0.4
143.08476	0.2
143.65237	0.2
167.06990	0.2
171.02963	0.3
171.04385	4.1
177.51358	0.1
189.05452	0.4
199.03882	6.9
200.04298	0.2
217.04973	0.3
227.03363	12.1
227.20020	0.2
228.03716	0.4
245.04422	100.0
246.04796	2.7
246.11162	1.6
248.77849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.097
Annotation	Lancerin
Peak:m/z	Relative Intensity
55.01857	0.8
55.05493	1.5
57.03416	1.3
57.07069	1.4
65.03925	1.5
66.14882	0.6
67.05484	2.7
68.99806	0.7
69.03430	3.7
69.07048	1.8
69.71729	4.2
69.72137	1.3
70.06570	0.9
71.04982	2.2
72.04523	3.2
73.02901	1.2
75.04467	4.9
79.01888	0.7
79.05474	2.2
81.07047	2.7
83.04962	1.4
83.08623	0.9
85.02879	2.9
85.06513	2.4
86.09672	1.1
88.02214	3.9
90.56390	0.6
91.05476	11.2
93.07020	3.2
95.04943	2.3
95.08578	3.6
97.02875	1.3
97.06503	1.6
99.04488	0.9
99.05549	2.1
99.08084	0.7
100.32502	0.7
105.07054	3.2
107.04938	2.3
107.08572	3.0
109.06476	1.6
109.10134	2.1
111.04433	1.4
111.08060	1.3
113.05987	1.9
114.03723	1.6
119.04931	27.0
119.08595	1.8
121.06480	1.9
121.10132	1.9
123.04420	1.4
123.08029	0.7
123.11681	1.3
124.07538	1.2
127.03925	0.6
127.07549	0.9
129.06961	0.8
130.08617	1.1
131.04956	0.7
131.08604	0.7
132.04781	3.2
133.06473	2.2
133.10088	0.9
135.04399	2.2
135.08064	1.1
135.11716	1.7
136.66815	0.6
137.06006	1.1
139.03857	8.2
140.04242	1.8
142.08630	6.6
145.10088	1.6
145.95277	0.8
147.04396	100.0
147.11670	1.2
148.04713	0.7
149.05960	0.9
150.06647	1.0
151.07491	1.1
153.01814	1.5
153.05507	0.8
153.09001	0.8
157.10095	0.7
159.05818	2.5
161.05962	1.6
161.09554	0.8
163.07602	0.8
163.11198	1.3
164.11519	0.9
167.07042	4.5
167.08441	1.0
167.41637	0.7
171.04337	0.9
172.23163	0.6
173.06030	1.0
173.09610	2.0
177.05487	1.0
181.08572	0.9
181.10107	0.8
182.12610	0.7
184.09688	2.5
187.03864	1.7
189.05533	1.1
191.06998	1.2
191.10596	1.1
191.18169	0.7
192.11031	1.8
193.08575	3.6
195.10010	0.7
199.04018	0.8
201.05540	1.3
202.02930	0.6
203.03436	0.7
205.08498	0.7
207.11769	0.8
209.07898	0.7
210.12131	1.0
211.09616	7.2
213.05392	0.9
215.03366	1.2
215.06940	0.9
217.04887	2.0
217.08522	0.8
225.05516	1.9
227.03333	1.4
227.12738	0.8
227.20052	1.7
228.04128	2.1
228.13144	1.3
229.04988	1.3
233.04463	2.6
233.08015	0.8
235.07690	0.7
241.04866	1.3
243.11603	1.4
243.13861	0.7
244.03378	0.7
245.04457	12.3
245.12209	0.8
246.05251	4.0
247.02574	0.8
249.03967	4.2
251.09247	2.0
253.04974	1.9
255.06535	1.2
256.03598	3.1
257.04449	6.7
258.04706	0.7
260.03049	1.6
261.03879	5.7
261.12674	38.0
263.05420	1.3
269.04419	2.5
271.06030	1.1
273.03903	45.6
274.04669	21.4
275.05228	1.5
279.06503	1.2
281.04388	1.7
283.06027	2.3
285.03912	7.4
287.05481	10.4
298.04871	1.5
299.05536	6.1
301.03448	2.3
301.07086	1.7
303.04959	59.0
304.05408	3.1
307.06097	1.1
309.07458	5.8
311.05438	3.2
313.03439	2.8
315.04855	3.3
315.08356	1.4
317.06650	1.7
325.07050	5.8
325.18033	0.8
327.04944	23.6
329.06592	0.9
331.15506	1.3
333.06046	3.1
335.05518	1.4
343.08148	2.4
345.05984	1.4
353.06589	10.7
353.17606	1.3
371.07587	57.1
372.07944	3.7
379.08279	0.9
389.08618	27.5
389.19794	2.1
390.09021	1.4
407.09711	65.4
407.16296	50.7
407.20978	3.3
408.10150	2.9
408.16315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.01856	1.2
56.90586	0.2
57.03432	1.5
61.02893	0.7
65.03922	0.3
67.05489	0.5
69.03419	0.6
69.07037	0.3
70.06549	0.4
70.46160	1.1
73.02876	0.6
79.05456	0.3
81.03372	1.1
81.07008	0.8
81.42693	0.2
83.04916	0.6
83.08604	0.4
85.02897	4.1
85.06508	0.3
86.09676	0.5
91.05451	0.8
93.03406	0.3
93.06985	0.9
95.04951	0.3
95.08549	0.6
97.02848	1.0
99.04444	0.2
103.03918	1.7
105.06979	0.7
107.04916	0.3
107.08546	0.8
109.02879	1.4
109.06505	0.6
109.10105	0.3
113.09608	0.3
115.05499	0.3
121.02833	0.9
121.10104	0.8
122.10470	0.3
123.08045	0.3
125.09575	0.6
127.03876	0.5
128.06195	0.4
133.10075	0.4
134.10416	0.3
135.11652	0.3
137.02321	1.6
137.05891	0.4
139.11179	0.3
145.06439	0.3
145.10071	0.4
157.06436	0.4
163.14769	0.6
165.54176	0.3
167.07001	0.6
168.29655	0.2
169.02763	0.7
171.04349	0.3
175.03886	0.6
179.14317	0.6
185.05919	0.8
189.11179	0.4
193.00269	0.2
197.15346	0.8
199.03941	0.6
201.05356	0.7
203.03337	2.2
209.15295	1.1
210.15688	0.8
213.05453	5.8
214.06059	0.3
215.07028	0.4
215.16379	1.0
221.04327	0.3
223.07466	0.4
224.04839	0.2
225.05455	0.6
227.03487	0.6
227.06853	1.3
229.01405	0.4
229.04958	3.7
237.05460	1.9
239.03421	0.4
239.06990	0.8
240.04224	0.4
241.04919	27.5
242.05287	1.1
243.06343	0.3
244.03622	2.6
244.09485	1.0
245.02039	0.5
245.04439	7.3
245.13727	0.4
245.17365	0.3
247.02365	3.1
251.07016	0.7
253.04863	0.9
255.02913	0.8
255.06488	11.2
256.06705	0.4
257.04413	100.0
258.04956	5.7
259.05893	0.6
261.05289	0.6
265.04871	1.8
267.06479	1.5
268.03632	0.9
269.04422	19.2
269.07892	1.3
270.04831	1.3
271.02319	1.0
271.05841	0.9
277.05060	0.3
279.06467	4.2
281.04422	5.0
282.05038	1.0
283.02420	3.8
283.05942	27.4
284.06345	1.1
285.03882	0.5
287.05460	62.6
288.05832	3.0
289.05014	0.6
294.05234	1.0
295.06006	2.8
297.04144	0.6
297.07474	5.2
298.07602	0.3
305.04446	0.7
307.05914	4.1
309.03967	1.1
311.05460	33.8
312.05762	1.5
323.05457	16.7
324.05844	1.2
325.07010	1.7
335.05444	12.2
336.05804	0.5
341.06506	13.4
342.06790	0.5
353.06519	15.9
354.06897	0.7
371.07574	15.1
372.07904	0.9
379.16138	0.3
380.01633	0.3
389.08600	6.7
389.12592	0.3
407.09982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0967
Annotation	Neolancerin
Peak:m/z	Relative Intensity
57.03428	0.9
70.46211	2.8
72.61726	0.7
79.61427	0.7
85.02877	2.7
103.03922	2.3
121.02847	1.0
129.42282	0.7
137.02292	1.5
153.54384	0.6
155.15930	0.7
157.06506	1.0
166.90852	0.7
185.05952	1.3
185.98911	0.9
203.03383	1.7
213.05478	4.4
227.06996	1.7
229.04956	2.9
241.04919	25.2
241.07387	1.2
244.03642	2.8
245.04401	6.1
247.02370	2.8
255.06506	10.3
257.04422	100.0
258.05005	4.8
265.04837	1.7
267.06433	1.7
269.04416	17.8
279.06522	2.5
281.04391	4.2
283.02402	3.7
283.05948	25.8
287.05460	61.4
288.05679	2.3
295.05981	1.9
297.04364	1.1
297.07440	6.3
307.06012	4.8
309.04025	1.1
311.05447	35.1
312.05786	2.0
323.05463	19.0
325.06812	0.9
335.05438	11.7
341.06509	13.0
342.06845	1.0
353.06503	17.3
371.07581	13.5
372.08148	1.3
389.08615	6.1
407.09674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01851	0.6
57.03432	1.3
60.06691	0.1
61.02910	1.3
67.01869	0.1
68.99779	0.6
69.03421	4.6
69.68261	1.3
69.91387	0.1
71.01331	0.2
71.04977	0.6
73.02910	0.8
76.81279	0.1
81.03401	1.4
81.07059	0.2
83.01313	0.2
83.04970	0.2
85.02891	17.4
86.03252	0.2
87.04435	0.6
91.03951	0.3
95.04945	0.2
97.02877	2.9
99.03902	0.1
99.04462	1.1
101.02349	0.3
101.70388	0.2
103.03897	0.6
105.69730	0.1
109.02863	1.6
115.03892	0.4
119.08562	0.2
119.12753	0.2
124.09544	0.1
127.03899	3.3
137.02315	0.5
139.03758	0.1
145.04929	1.3
147.04469	0.2
149.05937	0.1
161.05928	0.2
171.04359	0.5
175.03923	0.2
176.04576	0.2
177.05457	1.2
181.04993	0.3
191.08009	0.2
199.03886	1.3
200.04562	0.2
203.03317	1.1
210.15764	0.2
215.06981	0.4
216.04178	0.2
217.04881	1.1
221.04436	0.9
227.03308	0.9
227.16446	0.2
228.04153	1.7
229.04895	0.8
241.04919	0.3
243.02809	0.4
244.03560	0.3
245.04411	100.0
246.04755	3.7
257.04340	0.9
260.03214	0.2
269.04404	0.7
269.95819	0.2
273.04056	0.3
281.04413	0.3
283.05997	0.3
287.05463	3.9
303.04877	0.2
311.05368	0.5
323.05273	0.2
353.06244	0.2
371.07321	0.2
389.08002	0.2
407.09894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01858	1.5
55.05252	0.9
55.05506	14.6
57.03417	1.6
57.25913	0.7
59.04990	0.7
61.02908	2.2
61.59642	0.7
64.62628	0.6
67.05483	2.6
69.03423	5.5
69.07064	1.6
69.82378	4.6
71.04973	0.9
79.05468	1.6
81.03396	2.1
81.07036	6.2
83.04967	16.1
83.08603	13.0
85.02404	0.9
85.02893	11.8
85.06513	1.4
87.04457	1.2
91.03922	0.8
91.05464	1.6
93.07034	4.0
95.04948	2.8
95.08590	1.8
97.02864	2.9
97.06518	2.8
97.10138	2.5
99.08107	0.8
105.06967	1.6
107.04935	1.7
107.08578	6.6
109.02870	1.2
109.06481	1.9
109.10151	7.6
111.08051	3.0
111.56775	0.6
117.06969	0.9
119.08566	2.7
121.10101	4.7
123.00761	1.3
123.11651	3.4
125.09620	3.3
127.03878	2.6
127.59710	0.6
131.08546	2.5
133.10104	4.6
135.08032	2.1
135.11636	1.5
145.04941	3.3
145.10100	3.0
147.11671	1.0
149.09599	1.1
149.13260	2.1
151.11162	18.0
153.09048	1.0
163.11165	5.5
167.14296	26.2
169.01302	1.0
171.04332	1.3
173.09647	0.7
173.13274	2.1
181.12245	2.9
191.10646	6.3
191.14342	2.7
209.11780	4.0
209.15340	100.0
210.15720	3.1
215.07080	0.8
227.03383	1.0
227.12779	12.9
227.16490	2.4
245.04427	65.7
269.42749	0.8
388.07455	0.8
406.08459	1.0
406.13516	1.1
406.87109	0.7
414.26114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0969
Annotation	Neolancerin
Peak:m/z	Relative Intensity
53.03927	0.7
55.01847	0.6
57.03409	1.1
59.40211	0.3
61.02913	2.0
69.03422	4.3
70.44190	0.4
70.44521	1.7
75.11788	0.3
81.03391	1.6
83.76423	0.4
85.02408	0.8
85.02895	13.8
87.04494	0.4
87.62691	0.3
88.86411	0.4
89.05534	0.4
91.03975	0.6
95.38771	0.3
97.02876	4.4
99.04446	0.7
109.02845	1.0
113.00438	0.4
123.00770	2.6
127.03889	2.3
141.07063	0.5
145.04948	2.9
151.00261	1.2
169.01292	3.7
171.04395	2.5
199.03885	1.8
215.06940	3.9
217.04944	1.2
227.03371	1.7
245.04430	100.0
246.04752	3.1
282.20602	0.4
290.99905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94262	0.6
53.03947	1.0
55.01846	1.0
55.05492	0.9
57.03437	0.8
65.03927	0.8
67.05185	0.8
67.05495	10.9
69.03413	1.8
69.07040	2.1
70.35415	1.9
71.04944	1.5
79.05479	8.6
81.03381	1.4
81.07047	8.9
83.04940	1.8
84.16443	0.6
85.02895	4.1
85.06518	2.6
91.05473	5.5
93.07027	5.8
95.04948	3.0
95.08572	1.3
97.02879	1.5
97.06531	4.6
99.04428	0.8
99.08076	0.7
105.07010	3.5
107.04937	21.2
107.08595	5.0
108.05258	0.7
109.06416	1.0
109.10165	0.9
111.04421	0.7
112.69881	0.5
117.07006	2.2
119.08556	4.0
121.06499	1.0
121.10122	15.0
123.04411	1.5
125.05975	0.9
129.06969	1.1
131.04913	1.9
131.08539	3.8
133.10124	1.0
135.11673	8.0
137.05998	0.9
145.06464	2.1
145.10110	11.1
147.11671	2.0
149.05878	0.6
149.09607	3.2
155.08540	2.3
163.11156	12.1
167.06987	3.3
168.07330	2.3
173.09601	13.1
179.14301	0.8
181.12192	3.0
191.06972	0.8
191.10637	18.5
191.14230	0.9
209.11708	14.6
209.13556	1.4
209.15292	1.8
217.05038	0.7
227.12747	100.0
228.13123	5.1
229.04672	0.7
231.02776	0.8
240.51830	0.7
242.05908	0.8
245.04379	5.7
249.03893	0.9
254.88486	0.7
256.03622	0.9
257.04446	3.5
259.05997	1.2
260.06833	1.1
269.04361	1.0
271.06088	0.8
272.03137	1.8
273.03888	2.2
283.06000	1.4
286.04623	2.2
287.05466	20.8
287.08673	1.1
288.06281	3.9
298.04678	1.3
299.05453	3.2
301.07031	5.1
302.04227	2.1
303.04996	1.1
310.04874	0.9
311.05420	1.6
313.07178	1.1
315.08530	1.7
317.01038	0.9
317.06525	14.4
325.07019	2.2
326.04388	1.1
329.06506	2.8
341.06500	9.0
343.07993	2.5
347.07520	1.4
353.06473	2.2
371.07571	23.1
388.07904	0.9
389.08609	12.7
407.09680	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80308	0.5
52.99490	0.6
55.01862	2.3
55.05500	2.1
56.05027	5.6
57.03424	4.3
58.99577	8.6
60.60734	0.5
61.37694	0.5
67.12428	0.5
68.05013	1.6
69.07050	1.4
70.04743	3.6
73.01142	1.5
74.00649	1.4
76.02224	17.3
76.03986	2.2
79.05496	3.8
81.07048	16.0
83.06083	2.2
83.08599	0.8
84.04494	24.6
85.01128	3.1
86.00655	3.7
86.99052	5.8
87.00826	0.7
87.02682	5.1
88.02199	2.3
93.07027	0.9
94.06546	0.8
95.08587	3.0
97.06512	1.1
98.09682	10.5
99.08080	5.5
100.02164	0.6
102.05533	4.0
105.00064	0.7
105.07037	1.4
110.09653	1.9
112.03970	4.3
113.04221	4.7
115.05761	1.2
116.01669	18.4
121.97562	0.6
122.09700	1.2
123.07997	0.5
127.05765	1.4
129.06587	2.5
130.04974	6.1
130.06865	4.0
130.08606	1.9
131.08557	1.4
139.05725	1.4
142.03217	1.9
142.06964	0.5
143.02757	1.0
144.01141	7.4
144.02151	1.1
145.06026	1.0
149.09566	0.7
151.68884	0.6
156.08412	20.5
156.10184	10.2
157.06830	7.5
157.08813	0.6
162.02193	18.1
167.07045	1.1
170.02676	0.9
174.09483	9.4
179.04832	7.3
188.03674	0.7
189.03235	1.4
209.11722	2.4
210.11273	1.7
215.04848	1.3
216.06895	5.3
233.05891	1.4
245.05858	0.9
259.11105	100.0
260.09106	1.0
260.11749	3.2
264.30542	0.6
277.12125	1.9
285.12701	2.1
303.80325	0.6
308.08978	0.7
313.12033	3.9
331.13254	5.4
388.15475	1.1
406.16336	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	406.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51400	1.9
53.03943	9.8
55.01862	12.8
56.58652	1.6
57.03426	5.2
61.02913	5.7
68.99789	4.7
69.03419	34.3
69.98087	3.8
69.98503	6.6
70.06575	5.3
71.04984	8.0
73.02900	9.5
76.02221	3.1
81.03408	35.3
81.07061	4.2
83.04950	1.9
84.04491	4.6
85.02896	100.0
87.00822	35.0
87.04467	2.3
91.03948	4.6
91.05493	3.7
95.04971	5.7
97.02880	51.4
99.04437	22.8
104.07094	3.5
105.01854	33.6
105.02522	2.7
105.07045	3.6
107.08590	3.3
108.04467	4.3
109.02871	35.0
111.04434	2.9
116.01672	1.9
117.01849	5.5
121.10151	4.5
123.04417	43.4
126.05511	2.7
127.03898	87.7
128.04269	3.3
129.01826	7.5
131.08578	2.5
133.10144	6.4
135.04388	2.3
137.06000	4.7
139.03899	4.4
141.05449	62.9
145.04948	54.3
147.02890	5.8
147.04382	1.9
151.03908	4.3
153.05429	8.5
156.08475	2.0
159.02867	33.5
165.05461	11.2
167.03372	2.3
173.13235	3.8
173.28653	1.6
177.04037	2.2
183.06525	16.2
189.03957	5.1
191.14319	5.9
203.07112	1.9
207.06554	9.1
209.15414	2.2
213.03889	2.8
227.09145	2.0
229.04945	2.0
231.04813	16.4
231.06960	3.0
233.04375	2.2
241.04877	2.2
245.04413	7.1
249.07660	28.6
257.04459	27.5
258.05273	4.7
259.11038	8.4
269.04431	4.1
271.06006	3.7
283.05936	2.9
287.05472	22.3
297.07437	2.8
311.05487	6.3
325.06760	2.2
335.07727	2.3
341.06482	5.0
353.08554	6.8
371.07587	5.4
379.08026	2.2
388.16934	2.0
389.08649	8.7
407.09506	10.6
407.14215	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	405.2268
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
50.80300	0.6
53.03927	1.2
55.01864	1.2
55.05497	2.9
55.85099	0.6
57.07068	38.0
58.07371	0.6
67.05503	3.2
69.03413	4.5
69.07067	4.0
77.03908	0.7
79.05486	6.8
81.03436	0.7
81.07043	3.8
83.01331	20.0
83.01836	1.2
83.04985	1.2
85.02896	4.1
85.06541	6.7
91.05464	5.9
93.07027	14.4
95.04964	4.4
95.08588	3.1
97.06523	0.7
98.20645	1.0
99.04424	4.4
103.05439	2.4
105.07014	21.3
106.07812	1.0
107.04904	1.1
107.08572	6.3
109.06499	2.4
109.10143	2.2
115.05489	0.7
117.06999	1.9
119.04908	0.7
119.08549	8.3
121.06510	2.0
121.10127	100.0
122.10426	1.8
123.04444	1.5
123.08070	6.7
125.02357	1.0
125.06028	0.6
127.03922	1.2
127.07532	1.3
129.06993	1.2
130.07767	2.1
131.08554	2.3
133.06511	1.3
133.07535	1.2
133.10110	3.2
135.04382	1.0
135.08064	1.1
135.11664	2.7
137.05937	2.0
139.03903	1.2
139.07561	0.9
141.06970	0.9
142.07803	1.3
143.08533	3.5
145.06496	1.0
145.10115	8.3
147.08046	1.9
147.11674	1.1
149.05962	1.1
151.03897	5.1
151.07460	1.2
153.01855	1.0
153.05441	2.6
153.06900	0.9
155.08551	3.1
157.10112	3.4
158.07256	1.1
159.08047	2.0
159.11681	2.2
161.05957	1.2
161.09579	1.9
163.07515	1.0
163.11191	5.3
165.05478	1.9
165.09071	0.8
167.72635	0.7
168.09308	2.2
169.04982	1.6
169.10141	1.3
171.06572	1.3
171.07979	5.9
173.05975	0.9
173.09586	21.2
173.13210	1.7
174.09959	1.0
175.07559	1.1
177.05334	1.0
179.06946	0.8
181.08569	0.7
181.10063	0.9
182.10838	1.0
183.06540	2.6
183.08061	1.0
183.11682	5.7
185.08073	2.6
185.09564	1.2
185.13287	1.2
187.07466	3.7
187.11166	2.3
187.14764	1.0
188.08298	0.6
189.05388	1.0
189.09161	0.7
191.07004	2.6
191.10684	1.7
193.08569	1.3
197.13223	4.0
199.07689	0.6
199.09561	1.5
200.20137	1.1
201.05386	1.4
201.09070	16.4
201.12730	2.1
201.20335	0.8
203.07039	2.1
203.14310	2.3
207.06488	1.7
207.11760	1.5
209.08037	4.0
210.10417	1.0
211.07561	1.0
211.11185	2.4
213.09109	2.2
214.09785	1.3
215.07030	1.0
215.10664	3.7
215.14320	2.8
219.06519	2.2
225.12706	6.6
227.10658	0.8
227.14395	0.9
228.11397	4.3
229.08624	21.6
229.12173	25.9
229.14487	1.4
230.09006	1.4
230.12517	0.9
235.09619	1.0
242.33223	0.7
243.13785	34.8
244.14180	1.5
247.09488	1.0
247.13339	3.6
253.12184	2.9
256.10928	0.8
257.11304	0.8
261.10925	1.0
271.13260	59.8
272.13733	1.6
285.14691	1.2
289.14294	29.5
290.14679	1.3
299.16425	0.7
303.12418	1.3
303.15732	6.7
309.18454	1.5
321.17038	1.4
327.19568	1.5
329.21121	3.0
337.17883	2.1
349.17990	1.1
355.19049	7.9
373.20062	12.2
387.22855	3.0
405.19070	1.3
405.23737	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	405.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01858	1.1
55.05499	2.0
57.03426	2.9
57.07068	33.6
67.05483	4.0
67.81931	0.9
68.99777	2.3
69.03416	8.0
69.07047	3.5
69.73884	4.9
69.74310	2.4
79.05497	6.8
81.07053	5.7
83.01331	42.7
83.04954	2.6
85.02899	7.1
85.06520	3.6
85.72752	1.0
91.05463	8.6
93.06495	1.5
93.07035	17.0
95.04959	6.3
95.08593	8.8
99.04459	1.8
103.05441	1.2
105.07018	20.2
107.04941	2.1
107.08575	10.5
109.02836	1.0
109.06546	2.0
109.10155	16.8
115.03883	1.0
115.05429	1.1
117.07008	4.5
119.08573	15.6
121.06504	4.4
121.10133	99.8
122.06845	1.0
122.10446	1.6
123.04432	2.7
123.08073	4.6
125.02331	10.2
125.06000	2.1
127.03904	2.9
127.11152	1.4
129.07018	2.3
130.07758	3.8
131.08560	6.4
133.04889	2.1
133.06422	1.8
133.07544	1.0
133.10115	20.4
135.08014	1.8
135.11668	9.5
137.02354	0.9
137.05948	2.5
137.13234	9.2
139.03896	1.0
139.11140	1.0
141.05441	2.4
141.06941	2.0
142.07791	2.4
143.08557	5.1
144.09314	1.3
145.06422	2.0
145.10095	13.9
147.08012	3.9
147.11697	3.2
149.06009	2.2
151.03883	7.5
151.11145	1.3
153.01822	18.2
153.05441	3.6
153.06796	1.2
155.08549	5.1
156.09431	1.2
157.04932	1.0
157.06552	2.1
157.10123	4.4
159.08002	2.9
159.11667	7.6
161.09668	1.9
163.07549	2.4
163.11163	11.5
165.05467	8.0
167.07040	2.1
167.08487	1.6
168.09329	1.8
169.04953	8.8
169.10104	2.8
171.02879	1.2
171.08035	4.5
171.11685	1.9
172.08780	1.0
173.09598	58.7
173.13168	2.0
174.09903	2.1
175.07448	2.1
175.11189	1.5
177.05452	2.7
177.09122	1.7
181.10173	1.3
182.10909	3.6
183.06509	9.0
183.07991	1.9
183.11671	4.6
185.04411	2.4
185.09630	2.9
185.13185	1.0
187.07520	5.0
187.11241	4.4
187.14807	5.2
188.08289	1.0
189.05533	1.6
189.09079	1.3
191.06985	3.7
191.10655	3.2
193.04820	1.0
195.06480	1.4
195.08087	1.7
196.08812	1.0
197.13219	13.8
199.07558	1.2
199.11211	2.2
199.14734	1.1
201.09055	9.1
201.12733	3.7
201.16385	1.9
203.07069	1.6
203.10654	1.9
203.14294	1.3
205.08621	1.8
205.12064	1.2
205.15869	1.9
207.06506	1.2
207.11705	1.7
209.07977	1.7
209.09708	1.3
210.10342	3.7
211.07553	1.1
211.11179	3.5
213.09077	3.3
214.09785	1.2
215.07037	2.9
215.10674	2.1
215.14270	13.8
219.06509	6.3
221.07968	1.4
221.18842	1.2
223.09575	1.8
225.12706	17.4
227.10674	5.6
227.14297	2.5
228.11444	4.0
229.08644	11.9
229.12228	14.2
231.10088	6.4
233.08037	1.8
233.11717	2.5
236.65625	1.0
243.13773	57.0
244.14297	2.2
245.15445	2.1
247.09612	2.4
247.13332	5.1
253.12222	4.7
255.10086	5.9
256.10806	1.5
257.15390	1.3
261.11127	3.1
261.14734	2.2
269.11813	1.1
271.13251	31.4
272.13657	1.5
273.11185	3.1
285.14822	10.9
287.12643	5.4
289.14316	66.9
290.14597	4.0
303.15884	100.0
303.50967	1.0
304.16263	6.1
305.13779	2.2
307.15332	2.3
309.18433	1.2
321.16913	27.5
322.17365	1.8
337.17947	1.5
355.18973	4.7
369.20377	4.4
373.19980	4.0
387.21619	10.2
405.22925	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	405.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01841	0.7
55.05489	1.3
57.07068	38.5
69.03420	3.5
69.07048	1.9
69.67322	6.0
72.44537	0.6
74.14877	0.6
77.03876	0.6
78.85851	0.7
79.05475	5.6
80.85824	0.6
81.07047	1.6
83.00864	1.3
83.01330	18.5
85.02917	3.4
85.06530	5.5
91.05470	3.9
93.07035	15.7
95.04949	3.6
95.08610	1.4
97.06523	0.8
99.04433	2.7
103.05451	1.8
105.07017	19.5
106.07838	1.2
107.04942	1.1
107.08589	4.3
109.06515	1.6
109.10133	1.5
115.05455	0.8
117.06989	2.5
119.08591	6.2
121.06528	1.3
121.10126	100.0
122.10488	1.6
123.08060	5.1
125.02320	0.9
127.07603	0.9
128.06201	1.3
130.07774	1.3
131.08524	1.7
133.07530	1.2
133.10110	2.5
133.11018	0.7
135.04382	0.9
135.08014	1.1
135.11676	2.6
137.05960	1.0
139.03993	0.7
141.07021	1.1
143.08583	2.7
145.10115	7.8
146.10452	0.7
147.08075	1.0
147.11684	1.0
147.35655	0.6
151.03874	4.8
153.05510	0.9
153.06935	0.7
155.08553	2.7
157.04918	0.7
157.10100	1.5
159.07991	1.2
159.11655	1.8
161.06035	1.5
161.09607	1.4
163.07556	1.5
163.11111	4.3
167.08530	1.2
168.09349	1.2
169.04996	1.2
169.10158	1.5
171.08031	6.4
173.06128	0.9
173.09590	21.0
173.13225	0.9
175.03856	1.1
175.07498	1.2
181.08655	0.8
181.90877	0.7
182.10748	0.9
183.06538	2.9
183.07990	0.8
183.11676	6.6
185.08096	2.9
185.13263	1.2
185.76892	0.8
187.07475	3.2
187.11203	1.9
189.05478	1.2
191.07010	3.0
195.08081	1.2
197.09552	1.0
197.13203	5.1
199.09605	0.9
201.05585	1.7
201.09082	14.1
201.12694	2.8
203.07059	2.0
203.14197	1.3
207.06448	1.4
207.11832	0.9
209.08052	4.5
210.10431	1.0
211.07616	0.9
211.11157	2.9
213.09088	2.4
214.09868	1.4
215.07062	1.8
215.10657	2.6
215.14275	2.1
219.06432	1.2
225.12721	6.2
227.10742	0.9
228.11481	4.3
229.08600	23.1
229.12169	23.1
230.12440	0.9
235.09554	1.2
238.09923	0.9
243.13780	32.9
244.14276	1.3
247.13258	2.7
253.12552	3.7
256.10663	1.1
271.13254	61.2
272.13657	2.6
280.42065	0.8
289.14307	25.2
299.16177	1.4
303.15848	5.6
309.18298	1.0
311.20166	1.3
327.19519	1.8
329.21091	2.7
337.17953	2.2
355.19006	6.7
373.20041	11.0
374.20459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
55.05508	1.7
57.03424	1.0
57.07067	41.8
67.05482	1.5
69.03409	2.9
69.07052	2.8
69.85999	5.2
79.05482	6.2
81.07035	3.7
83.01332	23.8
83.04967	1.4
83.08566	0.8
85.02891	3.4
85.06543	6.2
89.13329	0.6
91.05466	6.0
93.07031	13.3
95.04960	2.2
95.08587	2.0
95.97034	0.7
96.28529	0.7
98.21468	0.7
99.04440	2.9
103.05444	1.4
105.03368	1.8
105.07014	19.0
106.07836	0.7
107.04925	1.3
107.08582	9.5
109.06501	1.8
109.10091	1.0
117.07011	2.0
119.08563	8.1
121.06480	2.6
121.10125	100.0
122.10978	8.5
123.04458	1.0
123.08057	5.1
125.05979	1.6
127.03922	1.3
128.06178	1.4
129.06952	0.9
131.08537	2.4
133.06549	0.9
133.07516	1.5
133.10121	5.5
135.04428	1.0
135.08040	1.1
135.11646	3.1
137.05986	1.7
137.13254	1.1
141.06973	1.4
142.07838	1.1
143.08557	2.8
145.06485	1.9
145.10117	8.8
147.08014	1.7
147.11646	0.9
149.05978	0.8
151.03880	6.0
151.07524	1.2
153.01743	1.0
153.05408	1.4
153.07008	0.9
153.09062	1.2
155.08499	2.8
156.09299	0.7
157.10138	2.6
158.07242	0.9
159.08075	2.2
159.11694	3.1
161.09706	1.5
163.07501	1.3
163.11134	3.8
165.05467	2.3
167.08510	1.0
168.09302	1.9
169.05014	1.4
169.06473	0.7
169.10135	1.3
171.08029	6.5
173.05983	1.5
173.09583	20.0
173.10902	1.6
173.13228	1.2
175.07530	2.3
177.05469	1.0
177.09224	0.9
182.10852	2.3
183.06471	2.0
183.07991	1.1
183.11662	4.9
185.08028	2.8
185.09518	1.0
187.07552	3.5
187.11157	3.1
187.14847	0.9
188.08282	1.0
189.05408	1.6
191.07004	2.7
191.10674	1.2
195.06535	1.6
195.11783	0.7
196.06815	1.1
196.08792	0.9
197.09546	0.8
197.13199	5.5
199.07678	1.1
199.09639	2.0
199.11266	0.8
201.05466	1.3
201.09076	17.5
201.10899	1.3
201.12749	1.8
203.07024	2.8
203.10625	0.7
203.14294	1.6
205.12260	0.8
207.06502	1.3
207.09979	1.0
207.11810	0.8
209.08092	3.1
209.15364	1.5
210.10432	1.1
211.07515	2.5
211.11099	3.3
213.09120	3.7
214.06253	1.2
214.09828	0.9
215.07060	2.6
215.10733	5.5
215.14278	5.4
219.06487	2.5
225.12732	6.8
227.10703	1.6
228.07901	0.9
228.11455	6.0
229.08592	26.7
229.12137	17.5
230.08891	0.9
231.53215	0.7
235.09508	1.7
237.07471	0.9
238.09961	1.2
243.13773	38.2
244.14249	0.8
246.08769	1.0
247.09618	2.0
247.13297	3.0
253.12408	5.1
256.10956	1.1
257.11813	0.8
261.50424	0.8
271.13254	73.4
272.13574	3.8
281.15387	0.7
285.14883	1.3
289.14307	58.3
290.14645	3.4
299.16379	1.4
299.19910	0.7
299.23709	0.7
303.15811	12.9
308.76428	0.8
310.89029	0.7
311.20090	1.2
313.14331	1.8
321.16867	4.6
327.19580	1.8
329.21088	2.5
337.17880	2.3
353.48569	0.7
355.18909	8.7
373.20093	18.0
374.20160	1.0
387.21860	0.9
405.22226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1177
Annotation	Moracin M 3'-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.17480	0.1
53.03930	0.2
53.86891	0.1
55.01854	0.2
57.03426	0.7
61.02902	0.5
65.89759	0.1
69.03419	2.1
69.86647	0.8
69.87053	0.3
71.04969	0.3
73.02913	0.3
74.95017	0.1
75.28933	0.1
78.14362	0.1
79.05461	0.1
81.03386	0.6
85.02898	7.4
87.04472	0.2
88.28447	0.2
91.05475	0.2
97.02872	1.2
99.04428	0.3
103.03944	0.3
105.07014	0.1
107.04908	0.2
107.08599	0.3
109.02848	0.8
119.04889	0.1
121.02837	0.8
123.08039	0.2
127.03905	1.3
137.05983	0.3
139.03888	0.4
145.04938	0.5
153.01750	0.2
161.05956	0.2
167.07025	0.3
172.05148	0.2
173.09608	0.2
181.05025	0.2
186.03122	0.2
199.03943	0.2
200.04665	2.8
211.03909	0.3
212.04620	0.4
214.06317	0.2
215.06999	0.3
217.04996	0.2
219.10257	0.2
226.06122	0.7
227.06870	0.4
228.04153	14.9
229.04590	0.3
243.06497	100.0
244.06844	3.0
245.04437	0.2
249.03847	0.2
249.07576	0.2
261.04013	0.2
267.06485	0.3
273.03845	1.7
274.04590	0.6
285.04492	0.2
285.07532	2.0
287.05490	0.6
301.03384	0.4
303.04913	1.0
313.03546	0.2
341.06522	0.2
369.06055	0.4
369.20450	0.2
387.07138	1.1
405.06995	1.4
405.12753	1.5
405.17233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2267
Annotation	CHEBI:67678
Peak:m/z	Relative Intensity
55.05511	1.8
57.07056	0.9
67.05482	1.7
67.44618	0.5
68.28764	0.6
69.03411	0.7
69.06695	1.2
69.07059	22.2
69.79316	1.4
69.79726	3.2
71.04986	1.4
71.98628	0.6
79.05474	1.5
81.07050	4.3
83.01332	1.0
83.04960	1.7
91.05474	1.5
93.07022	1.3
95.04955	1.0
95.08564	0.9
97.06517	1.0
102.02155	0.7
105.07045	1.5
107.08588	0.8
109.02917	0.8
109.06502	9.1
113.05968	1.1
119.08552	1.1
121.10162	1.5
123.08054	0.8
131.08519	0.8
133.10011	0.7
135.08092	0.9
135.11702	0.7
139.11121	1.9
147.08090	0.8
149.09570	0.8
151.07498	1.1
153.05443	10.0
154.05823	0.6
157.10039	0.6
159.08037	1.2
159.11617	0.8
161.05980	0.7
163.07535	1.3
165.05518	4.1
165.06744	0.9
165.09048	1.0
169.10106	0.8
175.07547	1.4
177.05367	0.8
177.09081	2.7
179.06966	5.1
187.07434	1.0
189.09055	1.4
191.07021	5.0
191.10551	0.6
192.07784	4.8
193.08591	5.2
197.09573	0.9
203.07001	11.8
205.04802	0.7
205.08580	9.8
205.12152	1.1
211.09634	1.9
213.12428	0.7
215.10619	2.6
217.08432	0.9
218.09407	0.8
219.10117	6.6
221.08076	1.5
223.09656	2.3
225.09024	2.0
227.10661	0.9
228.07780	1.3
230.09338	0.9
231.10080	1.9
231.89615	0.6
233.11734	1.5
237.11110	1.0
240.11594	0.7
241.08513	0.7
241.12303	0.9
243.10147	28.4
244.10608	1.4
249.11169	4.1
255.13770	2.3
259.13287	2.0
261.11188	100.0
262.11499	4.2
268.10944	1.9
279.12253	21.1
280.12653	1.3
283.13251	9.6
284.13809	0.7
301.14304	36.6
302.14648	2.0
317.14136	1.2
317.17371	4.6
319.15366	70.9
320.15775	3.4
331.15353	9.2
335.14886	1.3
337.16409	26.1
338.16763	1.1
349.16333	5.3
387.21616	1.3
405.22922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77553	0.4
53.03945	0.4
57.03427	0.6
58.96080	0.4
61.02901	0.6
67.05488	1.6
69.03423	1.4
69.94746	1.0
69.95152	1.5
71.04964	0.8
79.05466	1.2
81.03394	0.5
81.07041	1.6
83.04972	1.9
83.08578	0.4
85.02885	3.9
89.30129	0.4
89.91943	0.4
91.05471	1.1
93.07027	1.7
95.04967	1.6
95.08608	2.6
97.02878	1.0
97.06502	2.0
99.08055	0.7
105.07011	2.1
107.04946	0.6
107.08585	1.0
109.06514	2.1
109.10157	0.6
111.04465	0.5
119.08552	1.8
121.06494	0.9
121.10139	4.4
123.08053	100.0
124.08382	3.1
125.06009	0.8
127.03916	0.6
131.08594	0.4
133.10127	1.5
135.11688	1.0
137.05954	0.9
137.09593	0.5
139.03885	1.4
145.10092	1.1
147.08055	0.5
147.11685	0.8
149.09616	1.3
149.22507	0.4
151.07568	0.7
151.11153	1.7
161.05997	0.8
161.09550	0.7
161.13257	0.4
163.11143	2.6
167.07053	0.8
167.10619	2.1
175.07492	0.7
179.07008	0.4
181.04964	0.9
181.12199	11.7
189.09074	0.7
189.12752	1.6
203.03281	0.4
207.10095	1.0
207.13750	4.9
219.10258	0.7
225.11450	3.1
225.14819	18.6
226.15152	0.6
233.08110	0.6
239.08051	0.8
243.16110	0.6
249.03799	0.7
253.09711	0.7
258.72839	0.4
273.03888	3.9
274.04672	1.5
281.09299	0.5
281.83499	0.4
285.03909	0.6
287.05493	1.1
299.10349	0.8
301.03296	1.0
303.04965	2.0
309.08722	1.2
327.09650	1.5
341.06512	0.5
345.10797	1.9
347.68246	0.4
355.09351	0.5
359.07968	0.5
369.05908	0.8
373.10300	2.2
387.07114	3.4
405.08115	4.4
405.12656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97568	2.0
55.01859	2.4
55.05495	6.5
57.03426	2.6
57.07055	2.3
62.06068	3.7
65.03923	3.2
67.05484	5.2
69.03408	7.1
69.07051	3.7
70.06579	13.7
71.04980	4.1
71.78321	2.3
74.34056	2.0
79.05468	7.3
81.07052	9.8
83.04958	6.3
84.04482	2.7
85.02884	13.4
85.06537	7.9
87.04458	6.1
91.03958	2.6
91.05463	28.7
93.07027	9.2
95.04944	5.6
95.08595	8.4
97.02895	3.6
97.06525	3.7
99.04461	3.4
103.05467	2.9
105.03381	8.2
105.07012	39.4
107.04948	3.6
107.08580	10.6
109.02901	2.1
109.06505	19.3
109.10130	2.9
111.04428	2.2
111.08082	2.3
113.06012	3.1
115.05406	2.2
117.07011	4.7
119.08562	42.6
121.02849	6.0
121.06506	4.0
121.10118	13.3
123.04411	19.6
123.08067	8.9
123.11717	5.3
124.04749	5.3
125.05943	4.2
125.09668	3.1
127.03912	2.8
131.08540	9.0
133.06444	6.1
133.32100	2.2
135.04462	2.6
137.05989	4.8
137.09625	8.4
139.03885	53.0
141.06952	2.2
143.08560	3.4
145.06474	2.1
145.10110	17.2
147.04396	4.0
147.11673	64.6
148.12042	2.3
149.06001	3.5
149.09645	12.7
151.03851	2.3
151.07542	7.8
156.09370	4.1
159.06488	4.5
161.05981	5.9
161.09570	2.5
161.13200	5.3
163.03891	19.6
163.11189	9.1
165.12735	5.0
167.07047	7.5
171.11620	4.9
174.10423	2.4
177.05482	6.7
179.06981	6.2
181.04930	6.2
182.05286	4.5
189.09042	3.9
189.12729	76.1
190.13054	2.8
193.08559	6.7
203.07013	2.4
207.10046	3.9
207.11810	4.8
207.13776	100.0
208.14095	2.6
222.08295	2.3
225.11145	2.7
225.14978	9.8
243.02853	4.5
252.10143	2.8
261.11258	2.1
298.10638	4.4
345.10361	2.7
386.13019	7.0
404.14325	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02840	1.5
55.05491	1.8
57.03437	1.8
65.16171	1.6
67.05483	4.6
69.03408	5.6
69.07074	2.5
70.06587	9.2
70.93649	3.6
70.94025	3.7
71.04990	1.9
79.05473	4.6
81.07042	17.0
83.04961	2.8
85.02888	94.2
91.05466	45.6
93.07046	2.8
95.04981	3.3
95.08581	6.7
97.02852	4.2
97.06515	2.2
99.04428	2.4
105.06995	7.9
107.08554	4.9
109.02843	1.9
109.06503	5.5
109.10129	12.0
113.05990	2.9
114.05480	1.9
119.04946	8.8
119.08530	11.5
121.10116	8.2
123.04411	7.8
123.08060	3.3
123.11691	100.0
124.04692	1.7
124.07614	2.0
124.12016	2.7
125.05964	9.7
127.03887	2.9
132.76176	1.5
137.05954	4.4
137.09612	1.8
139.03864	3.3
141.05351	2.1
145.04962	1.9
145.10167	8.2
147.04379	7.0
147.07990	3.7
147.11665	14.2
149.09546	8.6
151.07487	3.3
156.09305	2.8
159.07990	2.4
161.05988	2.2
161.13210	1.8
163.03867	3.0
165.05479	6.7
165.12735	2.9
175.03886	13.9
177.05432	6.5
189.05482	5.1
189.12703	25.7
192.04117	4.9
193.08600	22.7
206.08197	1.9
207.06488	35.6
207.13776	79.1
208.14110	2.8
211.09608	4.0
221.08211	2.5
225.05560	2.8
225.07535	14.3
225.14807	23.6
231.02960	2.4
241.10684	2.9
242.11266	2.4
249.03864	2.5
252.08647	17.6
253.04890	2.5
271.05655	2.1
273.03915	34.8
285.03989	8.9
299.05383	3.5
303.04950	4.5
309.04065	2.6
313.07272	8.9
327.04926	21.3
357.06119	8.5
369.05838	4.5
369.11783	2.8
386.11871	2.4
386.16074	3.2
387.07199	12.5
404.13669	7.3
405.08093	41.7
405.16879	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12093	1.0
54.03444	1.3
55.01862	1.4
55.05490	2.4
67.05492	0.9
68.99780	1.5
69.03399	2.2
70.06581	100.0
70.13346	5.1
71.06898	1.6
75.00348	0.9
79.05493	2.2
81.07036	1.4
83.04968	1.4
83.08595	2.2
85.02903	5.5
91.05466	2.9
93.07039	3.0
95.04958	1.9
95.08613	1.6
97.06503	0.9
98.20752	1.3
105.03377	2.1
105.07028	4.4
107.08582	1.7
109.06464	1.3
114.09138	2.3
117.06968	1.0
119.04925	2.0
119.08562	6.7
121.06448	2.1
121.10139	1.0
123.04415	37.2
123.11681	2.6
124.04780	1.7
125.05984	2.7
127.03819	1.1
131.08559	2.1
133.06467	2.9
135.04395	2.2
135.08058	1.0
139.03854	4.4
141.05400	1.0
145.10133	5.8
147.04388	7.7
147.08000	2.4
147.11668	10.0
149.05971	4.5
149.09598	1.5
151.03886	2.6
156.09338	1.3
161.09589	1.1
162.95811	1.0
163.03896	2.5
165.05496	6.8
171.11620	2.1
175.07532	3.5
177.05437	49.3
178.05786	1.7
179.07025	4.9
189.05411	1.8
189.12720	57.7
190.12990	1.3
191.07024	1.3
191.40935	0.9
193.08565	1.9
207.06619	1.1
207.13768	9.9
221.08054	20.3
223.68016	0.9
225.14839	2.2
234.11189	7.0
242.08124	2.8
243.07980	1.6
252.12181	1.2
273.03870	2.7
285.03864	1.0
327.04837	3.6
329.10162	8.9
355.11526	1.1
386.15948	59.1
387.07166	1.3
387.16183	6.3
404.12238	1.3
404.17059	17.4
405.08057	3.1
405.17267	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.9
55.05484	2.9
61.02930	2.3
67.05491	5.2
69.03422	3.6
69.07025	2.3
69.84863	5.2
69.85274	14.1
71.04974	17.8
73.02929	2.5
79.05473	7.1
81.03423	5.0
81.07043	9.6
83.04985	5.8
83.08606	2.9
85.02907	12.4
86.09702	4.0
91.05483	9.9
93.07024	4.0
95.04952	5.0
95.08588	8.1
97.02895	3.3
98.20786	4.3
99.04439	68.1
105.07030	13.5
107.04961	2.4
107.08565	29.2
109.06500	21.5
109.10146	2.7
111.04447	3.8
111.08015	2.5
113.09643	4.0
116.36332	2.3
119.08574	13.8
121.10138	7.1
123.04392	3.5
123.08049	64.1
123.11691	10.2
125.06016	3.2
125.09608	8.6
127.03841	3.1
129.07050	2.8
131.08551	3.7
133.10095	5.2
137.05965	2.9
137.09605	3.4
139.03841	4.8
139.11208	3.6
143.08472	3.9
147.08026	16.5
147.11630	5.3
149.09584	14.5
151.07529	24.6
161.09618	16.5
163.03857	3.7
163.11255	3.7
165.09087	3.6
165.12755	10.3
167.10667	26.5
175.07468	2.6
179.10657	7.0
183.13803	23.6
189.09094	15.6
189.12732	16.7
190.54391	2.8
207.10120	22.4
207.13773	21.1
219.10185	3.1
225.11201	8.8
225.14825	100.0
249.14856	4.2
273.03952	19.1
274.04630	5.9
285.03928	5.4
287.05637	3.1
301.03339	2.9
303.04959	16.3
327.04428	3.2
331.03952	2.9
369.05719	5.8
387.07043	9.6
405.08029	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	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00838	1.4
50.89012	1.6
53.03931	3.8
55.05504	2.8
55.82092	1.7
57.03427	3.8
57.51698	1.5
59.04992	2.8
67.05484	6.3
69.03412	6.8
69.71455	10.8
70.06571	5.7
71.04949	2.9
79.05463	6.0
81.03396	2.3
81.07041	3.1
83.04961	4.2
84.05371	1.6
84.08196	1.6
85.02904	15.1
85.06509	7.2
86.09734	2.0
87.04420	2.0
91.05466	17.8
92.43366	1.8
93.07034	3.8
95.04971	9.7
95.08582	6.1
97.02854	5.7
97.06503	2.0
99.00813	2.0
99.04439	3.9
103.03977	1.6
105.03380	100.0
105.07021	37.1
106.03681	3.3
106.07326	1.8
107.04899	2.5
107.08594	11.2
109.02876	2.9
109.06501	11.1
113.05972	4.0
117.06970	3.6
119.08566	41.5
120.08914	1.9
121.10122	9.0
123.04396	10.8
123.08039	10.7
123.11691	3.6
124.15059	1.5
125.05950	5.0
127.03880	3.2
128.06140	1.6
129.07051	1.7
131.08539	6.4
133.06473	2.6
137.05937	4.0
137.09592	5.3
139.03876	18.9
145.10088	10.3
147.04375	2.2
147.11668	68.3
149.00560	1.5
149.09604	13.4
151.03836	1.6
151.07521	9.0
152.06984	2.2
156.09291	3.2
159.06488	3.0
161.05949	3.2
161.13293	2.0
163.03882	8.9
163.11201	5.4
165.09087	2.1
165.12657	8.1
167.07063	3.5
171.11685	4.6
174.10356	1.6
177.05396	3.3
179.07005	38.4
181.04959	4.5
189.12727	45.6
190.13110	3.6
193.08531	5.5
197.08080	30.6
200.19008	1.7
207.06532	2.8
207.13780	90.3
208.14128	3.6
221.08034	1.9
222.08316	2.5
225.14850	9.0
239.06851	1.6
353.88101	1.9
369.11652	4.0
369.19229	2.3
404.13736	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	404.1696
Annotation	(+)-3-O-(3-Hydroxybutyryl)tazettinol
Peak:m/z	Relative Intensity
55.01851	1.2
55.05501	1.7
68.15354	0.7
69.03422	1.4
69.51485	0.6
70.06581	100.0
71.06913	1.7
71.78130	0.8
71.78537	1.0
79.05479	1.3
81.03376	1.4
81.07053	2.0
83.04967	1.8
83.08611	0.7
85.02888	3.5
91.05465	2.9
93.07059	1.5
95.04966	2.4
95.08606	1.7
105.03396	5.7
105.07030	1.7
107.04940	1.6
107.08594	2.0
109.06472	0.9
113.06007	0.8
114.09190	1.8
119.04948	2.0
119.08568	4.1
121.06489	2.2
123.04407	36.9
123.08043	1.7
123.11693	1.2
124.04777	1.0
125.05985	2.1
127.03925	1.1
131.04944	0.6
131.08562	1.4
133.06505	1.3
133.10124	1.2
135.04402	1.9
135.11670	0.8
137.05969	1.1
139.03888	2.7
141.05493	1.1
144.76337	0.7
145.10138	3.2
147.04390	8.1
147.05461	0.8
147.08078	1.6
147.11708	3.1
149.05951	4.3
149.09598	0.8
151.03891	3.6
151.07550	1.4
159.04436	0.9
159.06512	1.3
159.11694	1.1
161.06009	1.7
163.03932	1.4
165.04175	1.0
165.05424	6.3
167.07095	0.8
171.11691	1.6
172.52032	0.8
175.07562	2.1
177.05441	55.5
178.05867	1.4
179.07001	6.1
189.05396	1.0
189.12711	23.0
193.08690	1.2
197.08064	1.2
203.07027	0.8
207.10246	1.2
207.13753	6.4
219.10254	1.0
221.08060	20.2
234.11197	9.0
237.11290	0.7
242.08083	4.3
243.08156	0.8
251.09247	0.8
252.12350	0.9
257.48123	0.7
273.03931	1.9
299.05664	1.3
327.05035	3.0
329.10153	9.1
340.12024	0.8
355.11673	1.0
373.12888	1.9
379.84576	0.8
386.15942	57.1
387.16367	2.7
404.17181	15.9
405.08228	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	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03424	3.6
62.06071	0.5
65.03934	0.6
68.99793	0.4
69.03404	0.7
70.06583	4.7
70.40436	1.2
71.01353	0.5
72.55936	0.3
73.02898	0.8
75.04470	2.4
81.03424	0.3
85.02894	3.7
91.05466	100.0
92.05803	2.3
92.12201	0.3
93.07038	0.5
94.20326	0.3
95.01315	2.7
95.04925	0.4
95.08612	0.4
97.02854	0.5
98.20781	0.4
99.00784	0.4
99.04425	0.8
101.02378	0.3
103.03942	0.3
104.07080	0.3
105.03330	0.3
111.08080	0.3
113.02357	1.3
113.73383	0.3
119.04927	0.5
119.08553	0.6
123.04404	2.6
125.05931	0.4
131.03362	0.7
137.05959	7.5
138.06316	0.5
139.03889	2.1
141.01810	6.2
147.04448	0.5
149.09618	0.7
154.06779	0.7
159.02834	0.8
161.05923	0.5
163.03871	1.3
167.07031	0.4
167.10666	0.4
177.05460	2.7
181.04935	0.7
189.09071	0.4
193.08580	52.3
194.08923	2.2
197.07431	1.0
199.61052	0.3
207.13733	0.8
211.09628	25.6
212.09959	1.1
212.13672	0.6
221.08044	0.8
225.14763	0.3
243.08022	2.0
329.10199	0.4
351.10901	0.8
369.11746	2.2
386.16006	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05502	1.0
65.03910	1.0
67.05478	1.2
68.99763	1.5
69.07030	0.9
71.79811	1.1
79.05468	0.8
81.07029	1.6
83.04975	1.0
85.02870	1.2
87.04457	1.5
91.05434	1.2
93.07018	1.1
97.02856	0.8
97.06525	1.4
100.11269	1.5
103.05459	1.3
105.07052	1.0
107.04945	0.8
107.08585	0.7
109.06482	0.6
111.04444	3.2
115.05441	0.6
119.04940	0.7
119.08543	1.7
121.02830	2.8
123.04420	3.6
131.04904	2.8
131.69458	0.6
133.06493	0.9
133.10176	0.8
136.04767	0.6
137.05946	1.3
139.03880	100.0
140.04187	1.9
143.04912	0.9
145.10129	1.5
147.04353	1.3
149.05969	6.5
149.09659	0.6
151.03851	1.4
161.05951	3.2
163.03893	13.0
164.04375	0.6
167.03403	4.0
167.07022	1.6
169.10069	0.7
173.05919	1.2
173.09613	2.5
175.07539	2.1
177.05423	1.9
181.05013	1.3
185.09601	0.8
189.05463	2.2
191.10672	3.5
201.09077	0.9
203.07079	0.9
203.10695	2.2
205.08630	0.7
213.09152	0.7
219.10143	10.3
221.11678	0.6
224.17220	0.6
225.05405	0.9
231.10109	1.7
243.02840	0.8
261.04050	1.0
273.03918	0.8
276.00424	0.7
283.05951	1.4
295.05969	1.0
308.01102	0.6
308.06702	1.1
309.07510	2.5
322.08325	1.0
341.13681	1.4
351.12231	12.3
352.12631	1.5
369.13074	5.5
404.28088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89124	0.3
55.05492	1.2
57.07056	0.9
58.56865	0.3
61.46156	0.3
62.10012	0.3
67.01846	0.9
67.05483	0.9
69.06700	0.6
69.07063	9.2
70.07421	0.3
71.04960	0.4
71.76558	0.6
76.08394	0.3
79.05490	0.8
81.07068	1.7
82.66104	0.3
83.01327	0.9
83.48753	0.3
85.06535	0.5
91.05456	1.5
93.07037	5.1
95.04963	0.6
95.08589	2.1
105.06999	1.2
107.04939	0.4
107.08579	5.4
109.06461	0.8
109.10155	1.7
113.05993	0.5
119.08544	0.9
121.02837	0.3
121.06469	1.3
121.10108	0.8
123.08054	0.9
123.11697	2.7
129.01836	0.7
133.10083	0.8
135.11687	8.8
137.09612	0.4
139.03885	1.6
143.08467	0.4
147.11688	0.6
149.05948	4.2
153.05440	1.4
159.11644	0.5
165.05463	3.6
167.06995	1.5
171.03760	0.3
177.05453	26.6
178.05750	0.7
183.06522	3.3
184.07248	0.4
191.07059	0.7
191.10504	0.4
193.04977	0.6
195.06511	100.0
196.06841	3.5
209.08049	0.9
233.08133	0.5
251.12704	3.5
261.11081	0.5
263.12668	0.6
287.16351	1.6
310.53403	0.4
315.15872	1.2
317.17441	28.2
318.17801	1.7
335.18237	0.7
347.10541	0.4
385.23584	1.3
403.24728	0.6
403.38596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2476
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
51.49926	0.3
55.01856	0.4
58.60457	0.3
67.01854	0.8
67.05486	1.2
67.05836	0.3
68.33042	0.3
69.07063	8.9
69.97830	2.1
79.05486	0.8
81.07047	1.0
83.01329	1.0
91.05461	1.5
92.64175	0.4
93.07036	4.5
95.08614	2.0
95.38218	0.3
98.20618	0.4
102.99791	0.4
105.06997	0.8
107.08582	5.2
109.06487	0.7
109.10137	0.8
119.08569	0.9
121.06497	1.3
121.10126	0.6
123.11697	2.1
129.01819	0.6
133.10130	0.6
135.07962	0.5
135.11678	8.5
139.03867	1.1
140.80614	0.3
146.94208	0.4
147.11739	0.4
149.05991	3.3
153.05455	0.9
156.35870	0.4
159.04343	0.4
163.11223	0.4
165.05511	2.5
167.06993	1.2
177.05453	24.9
178.05818	0.7
183.06558	2.8
185.08174	0.4
191.07039	0.5
193.04955	0.8
195.06512	100.0
196.06857	2.9
203.06876	0.6
209.08018	0.6
216.49544	0.4
221.11691	0.4
233.08104	0.5
251.12784	3.1
261.11270	0.7
263.12897	0.4
272.99036	0.4
284.82794	0.4
287.16354	2.4
315.15900	1.6
317.17444	26.7
318.17743	1.3
335.18317	1.0
385.19461	0.5
385.23947	0.5
403.20554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	1.3
67.05485	1.6
69.03422	0.6
69.07061	17.6
70.66666	1.4
79.05469	0.9
81.07056	2.8
83.01332	1.2
87.34587	0.5
91.05455	0.8
93.07036	4.7
95.04932	0.6
95.08604	1.2
95.23313	0.5
107.08575	3.1
109.10162	2.6
121.06491	2.1
121.10088	0.9
123.11687	8.5
129.01808	2.1
133.10115	0.8
135.11674	5.5
139.03885	1.6
149.05928	3.2
153.05432	1.3
159.76712	0.6
165.05453	5.2
167.07030	1.6
177.05449	27.3
178.05794	0.9
179.06940	0.8
181.41096	0.6
183.06436	3.0
185.08102	1.4
187.07509	1.7
191.07007	4.4
195.06508	100.0
196.06898	3.0
205.08630	0.8
205.16409	0.5
207.06473	0.9
209.08060	16.2
210.08403	0.8
215.06961	6.0
219.06564	0.9
220.81963	0.6
221.11728	1.9
223.09669	1.0
233.05711	0.8
233.08061	14.3
243.10304	1.1
247.09686	0.7
261.11212	8.5
263.12930	0.6
263.58932	0.6
287.16324	3.5
301.38443	0.5
315.15738	1.2
317.17438	69.5
318.17789	3.5
335.18527	1.5
385.23697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2475
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
51.41769	0.3
52.48787	0.3
53.08473	0.3
55.01857	0.3
63.60207	0.4
67.01847	0.6
67.05484	0.5
68.99768	0.4
69.07057	6.7
69.68763	0.3
69.69554	3.0
79.05473	0.4
83.01354	0.6
88.50064	0.4
91.05468	0.7
93.07008	1.3
102.47346	0.4
107.08626	1.9
109.10119	0.4
119.08530	0.4
121.06432	1.1
123.11704	3.0
129.01816	3.6
135.11662	3.7
139.00211	0.5
139.03885	1.1
142.77269	0.4
148.50574	0.4
149.05965	3.7
153.05449	0.7
157.01248	1.2
165.05467	3.4
167.07024	1.2
177.05449	23.2
178.05870	0.4
180.59525	0.4
183.06511	1.5
185.08038	1.5
193.04982	0.6
195.06506	100.0
196.06857	3.3
209.08061	0.6
217.03548	0.4
221.11659	1.2
233.08199	0.8
259.15323	0.5
287.16354	0.7
305.17554	0.5
315.16055	0.6
317.17438	22.2
318.17783	1.3
335.18475	1.9
386.50613	0.4
403.58417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2474
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03935	0.6
55.05502	0.9
57.07072	3.4
67.01852	0.9
67.05480	1.4
69.03385	0.7
69.07060	23.8
69.97765	0.7
69.98180	1.7
70.07384	0.4
79.05468	1.0
81.07038	2.0
83.01329	1.1
83.08585	0.5
85.06517	0.7
91.05460	1.3
93.07046	2.8
95.04909	0.6
95.08582	0.9
97.06499	0.6
105.06998	1.5
107.08570	2.3
109.06502	1.0
109.10155	2.0
111.11683	0.6
117.07035	0.4
119.08551	0.9
121.02796	0.6
121.06502	2.1
121.10110	1.0
123.11702	2.6
129.01791	0.5
129.05489	0.4
131.05043	0.4
131.08565	0.6
135.08037	0.4
135.11674	3.5
137.05957	0.5
137.09583	0.4
139.03877	1.9
143.08548	0.7
145.10088	1.1
149.05981	4.5
153.05449	2.5
157.10147	0.8
161.06093	0.6
163.07614	0.6
165.05475	2.5
167.07039	2.0
173.09581	0.6
177.05453	25.5
177.09061	0.7
178.05870	0.7
179.07042	1.6
181.04857	0.5
183.06540	2.0
187.07523	0.9
187.83844	0.4
189.09048	0.6
191.06966	0.9
191.10648	0.6
193.04890	1.0
193.08545	0.5
195.06505	100.0
196.06793	2.3
197.13249	0.9
200.99869	0.5
203.06903	0.5
205.08539	0.6
207.06493	5.1
207.10074	0.6
209.08101	1.9
213.12672	0.5
215.06995	4.1
217.08522	0.5
219.06509	1.4
219.10083	0.5
221.08250	0.6
221.11713	0.6
223.11258	0.6
231.10146	0.7
233.08076	8.4
233.11652	0.4
235.09508	0.6
237.11047	0.6
247.09613	0.6
249.11172	7.9
253.19365	0.4
261.11304	1.8
273.14865	1.2
275.16553	0.4
287.16571	0.8
297.18390	0.6
301.14072	0.4
317.17435	21.8
318.17715	1.0
325.18338	0.4
331.02063	0.4
333.16898	0.9
335.18506	17.8
336.18796	1.0
339.19141	0.4
350.03091	0.3
357.20566	1.2
367.18823	0.6
385.19919	0.8
403.39673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01865	0.5
55.05505	1.3
57.03419	0.4
57.07068	9.3
58.61576	0.3
65.03939	0.3
67.01846	1.0
67.05491	2.3
67.41351	0.2
68.52877	0.2
69.03399	0.7
69.07058	25.6
70.07375	0.4
70.90994	0.8
71.04949	0.4
74.57039	0.2
79.05486	1.7
81.03391	0.3
81.07039	2.3
83.01315	1.5
83.04961	0.7
83.08602	0.5
85.06525	1.6
88.07613	0.3
91.05457	2.2
92.14304	0.2
93.03362	0.5
93.07036	3.3
95.04947	0.7
95.08572	1.9
97.02901	0.3
97.06491	0.9
99.00748	0.2
99.08077	0.3
103.05429	0.4
105.07018	3.6
107.04892	0.5
107.08576	3.6
109.02857	0.3
109.06492	0.9
109.10135	3.0
111.04428	0.5
111.11697	0.7
113.05996	0.3
117.06972	0.5
119.08548	1.7
121.02839	0.7
121.06478	2.5
121.10157	1.8
123.04375	0.5
123.08027	0.5
123.11696	3.0
125.05990	0.6
125.09591	0.3
127.03849	0.3
128.06168	0.3
129.01790	0.8
129.06953	0.5
131.08543	0.9
133.06523	0.4
133.10103	0.6
135.04361	0.4
135.08052	0.5
135.11681	4.0
137.05983	0.5
137.09575	0.5
139.03897	2.3
141.05379	0.3
141.07021	0.4
141.12674	0.5
142.07776	0.5
143.08531	1.9
145.06464	0.3
145.10083	2.7
146.10403	0.3
147.08003	0.3
147.11644	0.7
149.05962	4.6
149.07124	0.2
149.09561	0.5
150.06299	0.2
151.07489	0.3
153.05450	2.9
153.12735	0.7
155.08453	0.7
157.01376	0.4
157.10124	1.1
159.08035	0.6
159.11685	0.5
161.05923	0.8
161.09637	0.3
163.07463	0.7
163.11142	0.6
165.05496	2.6
165.06833	0.4
165.09088	0.4
167.03403	0.3
167.07004	2.2
167.08476	0.6
169.10115	0.7
171.07974	0.8
171.11661	0.6
173.09633	1.4
175.03867	0.6
175.07539	0.6
175.11092	0.3
177.05444	27.1
177.08969	0.7
178.05827	0.7
179.07045	1.8
179.08430	0.5
180.09305	0.4
181.04973	0.7
181.10081	0.4
182.10806	0.4
183.06488	1.9
183.07918	0.4
183.11658	1.3
185.13222	1.3
187.07520	0.7
187.11082	0.3
189.05415	0.6
189.09100	0.9
191.07047	1.6
191.10661	0.9
193.04919	1.2
193.08554	0.7
195.06499	100.0
196.06828	2.4
196.12367	0.6
197.09604	0.4
197.13228	2.3
199.11133	0.4
201.05449	0.9
203.07027	0.4
203.10570	0.5
205.08607	0.5
205.12263	0.3
207.06490	5.4
207.10179	0.7
207.11850	0.4
209.04478	0.6
209.07941	1.5
209.13242	0.8
211.11116	0.7
211.14804	1.0
211.40228	0.3
213.09218	0.6
213.10992	0.6
213.12805	2.1
215.06995	3.6
215.14293	0.4
217.08516	0.6
219.06529	1.9
219.10095	0.5
221.08057	0.7
221.11702	0.7
223.11209	1.5
223.14748	0.6
225.12689	0.6
225.16275	0.7
227.10597	0.4
227.14166	0.4
231.10004	0.5
233.08052	9.8
234.08260	0.3
235.09598	0.7
237.12750	0.6
241.12234	1.3
241.15880	0.4
243.54291	0.3
247.09605	0.9
249.11171	8.7
250.11539	0.4
251.10638	0.5
251.17929	0.8
253.16364	0.2
253.19463	1.4
255.13864	1.4
257.15341	0.6
259.09622	1.0
259.13098	0.3
261.11118	1.6
265.10724	0.9
269.11633	0.4
269.18979	0.3
271.20560	0.6
273.14734	2.4
275.12567	0.4
275.16376	0.6
279.17410	0.8
281.18967	0.8
283.13324	0.5
287.16367	1.1
297.18445	2.1
299.19934	0.4
301.14218	1.6
305.14044	0.3
305.17542	0.4
307.16849	1.1
309.18378	0.9
315.15723	0.3
315.19409	0.4
317.17438	23.0
318.17773	1.2
325.17831	1.1
333.16791	1.2
335.18491	18.7
336.18814	0.8
339.19547	1.1
341.17276	0.3
341.20947	1.3
343.18921	0.4
343.22717	0.8
353.17505	0.4
357.20621	3.8
358.20929	0.4
359.22195	0.5
367.19022	1.4
371.18503	0.4
373.08997	0.3
385.19922	2.1
403.21219	0.8
403.39569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01857	0.6
55.05505	2.3
56.71439	0.6
57.03436	1.6
57.07067	100.0
58.07401	1.2
65.03947	1.4
67.05496	3.5
69.03417	5.7
69.07055	5.8
71.81090	0.8
73.06557	0.6
79.05482	3.4
81.07051	4.2
83.01352	1.7
83.04965	3.6
85.06530	16.3
88.07645	0.6
91.05459	6.6
93.03397	1.5
93.07033	7.4
95.04972	2.1
95.08588	4.4
97.02879	1.1
97.06512	4.5
99.08092	0.7
103.05481	1.1
105.07015	30.4
107.04949	1.5
107.08575	8.9
109.02901	0.6
109.06545	1.4
109.10152	2.8
111.04434	3.8
111.08081	0.7
113.05995	1.0
115.04173	0.5
115.05444	1.2
115.44395	0.5
117.07029	4.1
119.04913	0.6
119.08558	10.5
121.02879	2.6
121.06541	2.0
121.10129	12.8
123.04431	0.7
123.08081	3.1
123.11672	0.7
125.02385	2.1
125.05990	3.2
125.09638	2.3
127.03944	0.8
127.07574	0.7
128.06187	3.9
129.01830	1.3
129.05487	0.7
129.06984	2.8
130.07799	2.1
131.08545	7.1
132.09351	0.7
133.06514	2.2
133.10104	4.4
135.04439	1.5
135.08078	2.1
135.11719	1.7
137.06026	0.9
137.09633	1.9
139.03920	1.2
141.05438	0.7
141.07039	1.5
142.07762	3.4
142.40895	0.7
143.08543	16.3
143.09624	0.8
144.09265	1.1
145.06534	2.2
145.10103	25.5
146.07262	0.7
146.10924	1.4
147.08089	1.8
147.11671	4.1
149.02371	1.2
149.05957	4.4
149.09650	2.0
151.07561	1.8
153.05482	5.3
153.06932	1.3
153.09109	2.0
155.08507	5.6
156.09341	2.8
157.04987	4.9
157.10110	11.5
159.08095	2.3
159.11662	3.6
161.05911	0.8
161.09610	2.6
163.03929	0.9
163.07564	2.1
163.11185	1.8
165.05528	1.4
165.07030	6.1
165.09102	1.1
166.07800	0.7
167.07074	1.9
167.08611	3.8
167.10666	0.9
168.09367	1.6
169.10130	7.9
170.10881	3.1
171.08017	9.4
171.11635	4.7
172.08852	1.2
173.09579	10.5
173.13324	0.8
175.07613	1.3
175.11201	2.0
177.05486	2.9
177.09087	2.8
179.08611	2.4
180.09323	6.8
181.04947	6.8
181.06439	1.0
181.08617	1.6
181.10139	4.7
182.10886	4.9
183.06671	0.8
183.07979	2.7
183.11671	14.3
184.08768	0.9
184.12296	1.1
185.09669	2.7
185.13229	14.2
185.14740	1.0
186.13771	0.7
187.07571	0.7
187.11241	1.7
187.14838	0.7
189.09045	4.6
191.07034	1.2
191.08813	1.1
191.10638	11.9
191.12233	1.0
192.09352	0.6
193.08681	0.7
193.10207	2.4
194.10933	1.7
195.06529	9.2
195.07925	1.0
195.11662	29.6
196.08975	0.8
196.12370	4.2
197.09749	3.1
197.11667	1.1
197.13234	24.3
198.10362	2.9
198.13528	1.3
199.07515	3.7
199.11090	3.7
199.14828	1.0
201.07433	0.7
201.09174	2.4
201.12740	1.0
203.10672	1.3
205.08585	2.0
205.10262	1.0
206.10938	1.1
207.10040	1.0
207.11717	4.1
208.08876	1.7
208.12447	2.0
209.04431	5.9
209.09746	2.4
209.13254	6.6
210.10527	2.0
210.13858	1.0
211.07666	0.6
211.11256	5.2
211.14790	11.5
211.16631	0.9
212.12015	1.7
213.09222	2.3
213.11176	5.5
213.12811	23.0
214.13350	1.6
215.10812	1.6
215.14442	1.9
217.12331	0.7
219.11815	1.2
220.12463	0.7
221.09822	0.7
221.13211	3.2
222.10416	1.3
222.13982	3.3
223.11197	15.4
223.14583	3.7
224.11964	2.4
224.15625	2.5
225.09277	1.1
225.12758	8.8
225.16310	8.2
226.09883	1.1
226.13420	1.2
227.10713	1.8
227.14182	3.0
227.17921	0.9
229.12247	1.3
231.10173	1.1
232.12759	0.7
233.08105	1.2
233.13414	1.3
235.11246	1.7
235.14896	0.6
236.15681	1.0
237.12799	2.4
237.16493	0.8
239.14316	1.2
240.11485	1.0
240.15187	1.0
241.08604	1.1
241.12206	20.5
241.15848	4.6
242.12868	1.4
243.10190	1.5
243.13760	2.9
243.17502	2.3
245.15504	0.9
246.14093	0.7
247.14832	0.8
248.15750	0.8
249.12804	1.6
250.13434	1.1
251.10680	7.1
251.14348	1.6
251.17934	7.2
252.11111	0.8
253.12335	2.3
253.15814	0.7
253.19492	18.7
253.22008	1.2
255.10129	0.7
255.13791	13.5
255.17548	1.2
256.14276	0.6
257.15350	6.7
259.09741	8.5
259.13351	1.7
261.11142	0.9
261.16379	2.6
263.18109	2.4
264.15137	0.9
265.10449	6.3
265.16031	1.2
267.13824	0.9
268.10904	1.1
269.11710	7.9
269.15457	2.2
269.18790	4.6
270.12207	0.8
271.13364	0.6
271.20541	4.8
273.14822	27.7
275.16589	1.3
279.17404	9.9
280.18051	0.9
281.19022	9.4
283.13315	8.4
283.16629	0.9
285.11484	1.1
285.15002	2.0
287.12857	1.7
289.16101	1.3
291.17657	1.3
292.14615	0.6
297.11398	1.9
297.14954	1.5
297.18433	26.1
298.18924	1.4
299.16940	0.8
299.19946	3.6
300.13806	0.7
301.14310	14.4
302.14597	0.7
303.15958	0.9
305.13849	1.2
307.16873	11.4
307.20023	0.8
309.18463	11.3
309.21756	0.9
311.12897	2.5
311.16428	1.0
311.19989	0.8
313.21756	1.0
315.19662	0.9
317.17578	2.0
319.15445	1.1
323.20236	0.8
325.17947	11.3
326.18619	0.8
327.19330	1.4
329.13922	1.2
331.22772	2.5
335.16309	2.0
339.19492	13.7
339.23300	0.8
340.19949	0.9
341.21057	16.0
343.19138	2.0
345.17007	1.3
347.14905	0.7
353.17438	4.7
357.20554	43.9
358.20886	3.1
359.22202	4.8
367.18954	11.0
368.19492	0.7
371.18674	2.0
385.20047	20.7
386.20502	1.4
396.55142	0.7
402.39584	1.0
403.14780	1.0
403.20871	6.5
403.39993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05491	3.4
57.03428	1.9
57.07065	100.0
58.07396	1.2
65.03928	1.6
67.05495	3.0
69.03406	5.8
69.07066	2.0
70.06561	0.7
71.08647	0.6
71.79352	0.5
71.79737	1.1
73.06591	0.8
73.70378	0.5
79.05473	4.6
81.07041	4.5
83.01341	2.5
83.04980	3.7
85.06526	12.2
91.05465	6.9
93.03410	1.6
93.07042	7.0
93.72097	0.7
95.04969	2.0
95.08592	5.0
97.02898	1.8
97.06527	5.7
99.08060	1.0
103.05474	0.9
105.07014	27.8
105.07719	1.4
107.08575	10.0
109.06516	1.7
109.10175	2.1
111.04466	1.9
115.05465	1.3
117.06976	3.2
119.08557	11.6
121.02889	2.1
121.06508	2.6
121.10123	9.7
123.08031	3.0
125.02334	9.0
125.05965	3.8
125.09589	3.7
127.03919	1.1
127.07564	1.3
128.06198	3.9
129.07043	2.1
130.07771	3.1
131.08551	6.8
132.09369	1.3
133.06500	1.8
133.10091	4.1
134.84822	0.6
135.04385	1.2
135.08072	2.7
137.05994	0.9
137.09610	0.6
141.05479	0.7
141.06979	1.5
142.07751	3.6
143.08536	19.4
143.09627	1.0
144.09314	1.7
145.06509	2.2
145.10098	28.5
146.10619	0.7
147.04469	0.6
147.08046	1.6
147.11659	4.5
149.02322	3.0
149.05952	4.0
149.09595	3.3
151.07555	1.3
153.05450	4.6
153.06898	0.5
153.09114	2.3
155.08534	5.5
156.09328	3.3
157.04947	17.2
157.10104	12.4
159.08101	2.6
159.11630	3.4
161.06001	1.0
161.09622	2.8
163.07529	1.4
163.11220	2.8
165.05624	1.0
165.07037	4.9
165.09152	1.2
166.07632	0.6
167.07271	0.9
167.08524	3.6
167.10663	0.6
168.09355	2.0
169.04977	0.8
169.06462	0.7
169.10083	5.9
170.10928	2.8
171.08025	8.7
171.09286	0.9
171.11627	5.3
172.08865	1.7
173.09593	14.1
173.13293	1.2
175.07550	1.3
175.11182	1.0
177.05487	1.3
177.09166	2.1
179.07184	0.8
179.08620	2.1
180.09357	5.9
181.04935	6.1
181.08606	1.5
181.10175	5.7
182.10843	3.8
183.08090	2.5
183.11658	14.4
183.13148	1.0
184.08815	0.8
184.12453	1.4
185.09656	2.9
185.13231	16.5
185.14766	1.1
186.14043	0.9
187.07605	1.9
187.11267	2.2
187.14792	1.2
189.09117	5.1
189.12708	1.0
191.07028	0.8
191.10617	9.3
192.09406	1.1
193.10178	3.2
193.12219	0.7
194.10918	2.3
195.02930	2.2
195.06525	2.6
195.08113	1.0
195.10066	1.2
195.11664	25.2
196.08943	0.9
196.12361	4.1
197.09698	2.4
197.13216	17.8
197.14915	1.0
198.10423	3.1
198.13768	0.8
199.07423	2.9
199.11067	3.0
199.14798	0.7
201.09132	1.6
201.12704	0.9
203.10719	0.9
203.14427	0.8
205.08609	2.2
205.10349	1.0
206.10919	0.9
207.11737	3.5
208.08919	1.5
208.12553	2.1
209.04437	5.2
209.09718	1.9
209.13214	7.9
209.15053	0.8
210.10445	1.5
211.11208	8.9
211.14749	9.3
212.12000	1.8
212.15125	0.8
213.09102	1.4
213.11168	6.5
213.12811	22.2
213.16124	1.3
214.13402	1.8
215.10841	1.0
215.14381	2.1
217.08626	2.0
219.10078	0.7
221.09827	1.3
221.13326	3.3
222.10362	1.1
222.14020	3.6
223.11250	13.8
223.14624	5.4
224.11929	2.5
224.15582	2.2
225.12708	7.7
225.16307	9.2
226.09969	1.3
226.13347	1.1
227.10693	3.0
227.14297	2.9
227.17952	1.2
229.12366	1.0
231.10161	1.7
231.13887	0.8
233.07974	1.1
233.13432	0.8
235.11310	1.3
237.09294	0.8
237.12799	2.7
237.16339	1.9
239.14563	0.8
240.11639	0.9
240.14967	1.1
241.12195	20.1
241.15773	4.4
242.12822	1.1
243.10149	0.9
243.13756	3.2
243.17528	1.8
245.08154	1.1
245.15392	1.1
246.14178	0.9
248.15497	0.8
249.12785	2.6
250.13458	1.2
251.10756	7.8
251.14276	1.5
251.17883	8.6
252.11195	0.8
253.12320	2.6
253.16875	0.7
253.19469	20.5
254.20013	0.9
255.13747	11.3
255.17575	1.0
257.15338	4.9
259.09613	8.7
259.12509	0.6
259.13400	0.8
261.16492	2.0
263.18048	2.5
264.15094	1.1
265.10535	7.3
267.13889	0.9
269.11835	9.2
269.15387	1.7
269.18939	4.6
270.12140	0.8
271.10370	0.7
271.13120	3.2
271.20633	2.8
273.14810	26.0
273.17642	1.3
274.15350	1.2
279.10400	0.9
279.17368	10.7
279.20020	0.8
280.17984	1.3
281.18927	9.4
281.21466	0.7
283.13345	7.5
283.16406	1.1
285.11273	1.3
285.14896	1.4
286.12003	0.8
287.12811	4.7
289.15939	1.0
291.17545	1.7
297.11237	1.8
297.18445	26.8
298.19046	1.7
299.19907	6.3
301.14297	17.3
302.14557	0.8
303.12933	0.8
303.15771	3.4
307.16867	12.1
309.18475	9.8
310.19238	0.8
311.12851	2.6
311.16321	0.9
311.20221	1.7
315.19604	1.0
323.19992	1.0
325.17960	10.7
325.21454	1.0
326.18417	1.3
327.19760	1.2
329.13837	1.4
329.21030	1.0
331.22873	1.8
335.16202	3.0
339.19516	10.8
340.19879	1.0
341.21017	11.4
343.19180	2.5
345.17096	1.0
347.15097	1.8
353.17413	4.9
357.20541	63.0
358.20847	5.4
359.22125	11.1
367.18930	9.4
367.23129	0.9
371.18723	1.1
385.20035	16.0
385.24594	0.8
386.20544	0.9
402.39606	1.0
403.15796	1.1
403.21027	6.8
403.39819	1.9
404.21677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.05499	3.9
57.03428	3.3
57.07068	0.5
59.04996	0.6
61.02902	0.7
67.05502	0.4
69.03411	1.5
70.06586	0.6
70.17970	0.3
70.79485	0.8
71.04979	0.4
73.06538	3.6
79.05477	1.4
81.03416	0.8
81.07026	0.8
81.46565	0.3
83.04977	1.4
85.02895	3.8
85.06532	0.4
91.03944	0.4
91.05462	0.8
93.07001	0.8
95.04958	1.4
95.08584	0.5
97.02871	1.7
97.06495	1.1
101.06003	100.0
102.06303	1.9
105.03374	19.0
105.07018	0.9
107.04913	0.6
107.08570	0.4
108.90001	0.4
111.04400	0.4
119.07034	0.8
119.08543	0.6
123.04433	2.7
127.03921	1.0
128.96381	0.3
133.06458	0.4
139.03908	1.0
142.08662	0.4
145.04939	0.9
147.04344	0.3
151.03908	0.8
153.01807	5.9
153.05377	0.4
154.02167	2.8
160.05212	0.5
161.05995	1.5
162.06300	0.9
165.05396	0.4
166.70212	0.3
167.03447	0.4
167.07062	1.7
168.07352	0.5
171.02908	0.3
171.07957	0.5
172.08308	0.6
177.05508	0.4
180.08632	0.9
181.04945	1.4
184.05103	0.4
189.09081	2.7
190.09386	2.9
195.02829	0.6
196.03323	0.4
199.07484	0.4
217.08665	0.6
218.08940	0.5
221.07942	0.6
223.09616	7.1
223.11586	0.6
223.17043	0.3
269.01227	0.5
270.01352	0.8
287.02161	1.1
288.02353	1.1
288.05450	0.3
292.02640	0.8
293.02948	1.2
311.04123	0.6
316.09027	1.0
331.11276	1.1
333.31689	0.4
352.12457	0.5
356.12173	1.0
366.10507	0.5
373.12823	0.7
379.10260	1.2
384.11435	1.0
384.15497	0.9
402.11960	0.5
402.16446	0.9
403.13751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43219	0.6
53.03936	0.7
55.01874	0.8
55.05503	3.2
57.03435	1.5
57.07067	100.0
62.65456	0.6
65.03933	1.4
67.05502	3.1
69.03425	5.0
69.07063	2.6
71.39192	0.6
71.81333	1.0
74.54381	0.6
79.05490	2.9
81.07047	3.2
83.01331	1.3
83.04976	3.3
83.08608	0.9
85.06528	14.1
89.39008	0.7
91.05465	7.2
93.03413	2.4
93.07031	6.1
95.04984	2.0
95.08604	4.1
97.02909	1.6
97.06507	5.2
98.27631	0.7
98.77018	0.7
105.07015	28.2
105.07722	1.4
107.04969	0.7
107.08569	8.2
109.10141	2.0
111.04452	2.5
115.05492	1.4
117.07018	3.8
119.08548	8.8
121.02897	2.4
121.06547	2.2
121.10123	9.3
121.10941	0.8
123.08057	1.2
125.02394	2.5
125.05966	3.8
125.09648	1.7
127.05450	1.0
128.06203	3.9
129.01834	0.9
129.06982	3.4
130.07811	2.4
131.08554	5.6
132.09366	1.2
133.06529	1.6
133.10123	4.2
135.04417	1.8
135.08073	1.3
136.45180	0.7
137.09639	1.2
139.03900	0.8
139.07494	0.7
141.06950	0.9
142.07777	2.8
143.08549	16.7
143.09618	1.4
144.09395	1.3
145.06490	2.4
145.10107	25.1
145.11209	1.2
146.10928	1.1
147.04422	0.9
147.08046	1.2
147.11688	4.6
149.02357	1.9
149.05936	3.7
149.09622	2.9
151.07539	1.6
153.05482	4.8
153.06808	1.2
153.09129	1.7
155.08521	6.1
156.09363	3.1
157.04950	5.3
157.10126	9.6
159.08098	2.4
159.11658	3.7
161.09650	2.8
163.03943	0.9
163.07603	2.1
163.11142	1.3
165.06973	4.7
167.07240	1.3
167.08614	3.5
168.09369	2.0
169.10086	6.3
170.10924	2.5
171.08035	8.3
171.11624	4.1
172.08688	1.2
173.09586	11.5
173.10884	1.0
173.13254	1.4
175.07556	1.4
175.11234	1.2
177.05556	1.1
177.09148	2.0
179.08594	2.0
180.09311	6.0
181.04921	7.2
181.06407	0.8
181.08618	1.6
181.10144	4.9
182.10896	4.9
183.06660	0.8
183.08157	2.0
183.11678	14.5
185.09685	3.0
185.13240	14.0
186.13905	0.9
187.07564	1.0
187.11205	2.2
187.14857	0.8
189.09091	4.5
191.10651	9.2
191.12196	0.7
193.10210	2.9
194.10832	1.6
195.02882	0.9
195.06581	2.6
195.10136	1.5
195.11665	27.4
196.08865	0.7
196.12462	4.2
197.09622	3.2
197.11584	1.0
197.13240	22.9
198.10454	2.5
199.07536	3.2
199.11194	3.7
199.14839	1.0
201.09196	1.9
201.12852	1.3
205.08546	0.9
205.10251	1.1
206.11018	1.2
207.10054	0.9
207.11748	3.8
208.08891	1.9
208.12469	2.3
209.04448	6.1
209.09656	2.8
209.13242	6.7
210.10498	1.4
211.11192	4.8
211.14795	12.4
212.11957	1.5
213.09154	1.8
213.11150	5.2
213.12811	20.9
215.10757	0.9
215.14311	1.6
217.08533	1.3
219.11850	1.1
221.13329	2.6
222.14046	3.0
223.09149	1.3
223.11197	16.7
223.14534	3.7
224.11911	2.0
224.15704	2.0
225.12791	10.0
225.16315	9.0
226.09924	1.3
226.13531	1.1
227.10699	1.8
227.14189	3.7
229.08589	0.8
229.12279	1.1
231.10110	1.8
233.13364	1.7
235.11276	1.2
235.14784	1.0
236.12036	0.9
237.12820	2.4
237.16560	1.4
239.10767	1.1
240.11497	1.0
241.08586	1.2
241.12216	18.6
241.15749	4.7
243.10245	1.8
243.13959	1.7
243.17491	1.3
245.07999	0.8
245.15361	1.2
246.14084	1.2
249.12840	1.6
251.10622	7.9
251.14479	0.9
251.17964	7.5
253.12303	2.0
253.19475	19.3
253.21959	1.3
255.10185	0.7
255.11066	1.3
255.13760	12.8
255.17502	1.6
257.15378	6.4
258.12576	0.9
259.09634	10.7
261.11194	0.7
261.16519	1.8
263.14673	0.8
263.17963	2.2
264.15271	1.6
265.10519	7.0
265.15985	1.6
267.13770	1.2
269.11807	9.4
269.15146	1.4
269.19000	4.3
271.20523	3.5
273.14813	26.5
279.10196	0.9
279.17416	10.3
281.18967	8.7
283.13281	8.3
285.11270	0.9
285.14899	1.1
287.12897	3.0
289.15817	1.4
291.17410	2.1
297.11426	1.9
297.18442	25.1
298.18982	0.9
299.19958	3.9
301.14285	16.0
301.17435	1.1
303.15997	1.2
305.13806	0.8
307.16895	11.5
309.18417	12.4
311.12637	3.7
311.20010	0.9
315.19452	0.9
319.15622	1.4
321.18195	0.8
323.20532	0.9
325.17960	11.6
327.19556	1.8
329.13898	0.9
331.22830	1.7
333.13666	1.0
335.16467	2.1
339.19534	13.0
341.21060	14.6
341.24924	1.0
343.19125	1.5
345.17059	0.9
349.18295	1.1
353.17438	4.8
357.20563	39.0
358.20621	1.0
359.17981	1.2
359.22028	6.5
367.19012	11.3
367.23221	1.1
371.18570	1.6
385.20023	19.4
385.24579	1.2
403.21072	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	401.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.0
57.03421	2.3
57.07064	9.5
59.07939	1.9
64.89153	2.0
67.05499	14.3
69.03407	4.8
69.07057	24.0
69.63214	11.0
69.63645	6.0
71.04986	12.2
74.56218	2.0
76.04015	2.0
79.05480	8.1
81.07043	12.5
83.01311	6.1
83.04976	5.7
85.06522	6.4
87.04424	2.3
88.44994	1.7
91.05479	9.3
93.07022	26.3
95.04993	4.8
95.08598	15.7
95.63163	1.8
98.21533	2.6
103.05435	1.9
105.07017	24.2
107.08572	20.4
109.06506	4.0
109.10134	28.1
111.11722	2.1
113.05991	73.1
114.06355	1.9
115.01443	1.7
117.07025	2.3
119.08569	18.1
121.02868	1.9
121.06499	7.9
121.10127	100.0
123.08057	8.0
123.11703	9.8
125.05917	2.5
125.09608	2.7
129.06967	2.9
130.07788	2.6
131.08545	4.5
133.10114	18.6
135.08052	4.5
135.11670	20.1
137.05949	1.8
137.09596	5.6
137.13229	3.9
142.07761	2.5
143.08502	4.0
145.10109	17.4
147.08046	2.4
147.11688	10.6
149.09636	9.2
149.13202	2.3
151.07530	6.7
151.11179	9.5
153.09099	4.1
155.08560	2.3
155.10640	6.4
157.10088	6.9
159.08017	3.3
159.11688	8.5
161.09633	5.0
161.13249	3.4
163.11177	21.0
165.12718	2.7
167.10693	4.7
169.08655	2.1
169.54581	1.8
171.11746	2.8
173.09579	48.9
173.13239	5.0
175.11172	3.6
177.09015	2.6
183.11780	3.6
185.09601	2.1
185.13196	2.7
187.07664	1.8
187.11172	5.1
187.14864	2.3
189.09039	2.3
189.16331	7.5
191.10670	2.9
195.10211	3.0
195.11783	2.1
197.13245	3.2
199.14796	3.1
201.12659	3.7
201.16367	4.9
203.14273	5.9
203.17889	3.6
205.12183	3.3
209.13231	3.2
211.08823	1.8
211.11237	3.1
211.14774	4.8
213.12773	3.3
213.16362	5.3
215.14253	5.0
219.17426	5.0
221.15337	5.4
227.14317	4.3
229.12192	8.9
229.15904	6.2
230.16733	1.9
231.17361	2.3
239.14278	2.4
241.15878	4.9
245.15379	11.7
245.19121	3.5
247.13234	2.1
247.16968	2.8
251.17990	2.9
253.19456	9.2
265.77875	1.9
269.19077	6.6
271.20508	43.5
289.21640	8.7
296.40378	2.1
297.18481	4.9
313.21576	12.2
315.19479	29.0
333.20508	30.1
365.24554	3.2
383.25714	19.2
383.29483	2.2
394.07309	1.9
401.26837	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	401.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31195	3.1
55.05492	7.4
57.07063	7.5
60.62795	2.7
67.05479	11.6
69.03423	4.4
69.07062	29.2
71.04965	6.3
71.81354	5.3
73.72603	2.7
78.95580	3.0
79.05463	6.9
81.07058	16.6
83.01302	4.9
83.08612	3.9
85.06531	9.0
91.05453	8.3
93.07037	21.9
95.04948	5.5
95.08582	20.1
97.10154	3.4
105.07011	29.6
106.11034	2.9
107.08572	25.9
109.06533	3.9
109.10140	26.5
113.05984	57.8
119.08595	16.1
120.52608	3.2
121.06488	7.7
121.10123	100.0
123.08035	8.7
123.11644	8.5
125.06019	3.5
127.03922	4.6
127.18361	2.6
130.07726	5.7
131.08563	5.6
133.10153	17.6
135.07996	4.0
135.11662	25.8
137.09622	3.5
143.08575	6.4
145.10063	15.7
147.08070	3.2
147.11659	11.9
149.09660	4.4
151.07457	5.2
151.11145	9.4
155.10657	5.8
157.10104	4.9
159.11658	9.2
161.09572	6.0
161.13246	4.6
163.07570	4.0
163.11130	18.0
165.05357	4.8
167.10681	4.9
169.08549	4.5
169.09995	4.0
171.11707	5.4
173.09581	46.0
173.13315	4.8
175.11136	4.5
177.09125	5.2
177.12694	3.3
185.09500	3.8
185.13203	3.4
187.11278	6.6
189.16360	4.4
195.10197	4.3
201.09126	3.4
201.12801	4.4
203.14252	7.1
204.07265	3.2
205.07372	4.1
205.12251	4.3
210.08327	3.7
211.14793	3.8
215.14355	4.8
219.17368	5.1
222.08354	4.6
227.14185	6.2
229.15779	6.3
245.15323	9.7
247.16924	9.9
253.19424	4.1
269.19144	5.9
271.20502	38.9
279.14941	3.6
285.51801	3.1
289.21594	7.0
292.65640	3.3
297.18539	5.5
313.21597	10.6
315.16165	5.2
315.19540	39.1
322.70572	3.2
333.20517	26.8
345.19644	4.8
371.12555	5.7
373.14310	3.5
383.25726	18.1
383.29688	3.9
385.14542	6.0
386.15027	8.8
387.16171	5.3
401.13617	30.5
401.18381	47.5
401.26282	10.5
401.30487	4.8
401.34500	6.3
402.13458	17.5
402.18262	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2681
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
53.03931	2.3
55.05499	6.6
57.07059	6.6
67.05502	13.3
69.03417	5.9
69.07065	19.3
69.47028	24.4
71.04976	8.0
79.05475	5.3
81.07014	9.7
83.01331	5.3
83.04961	4.0
85.06542	5.0
91.05470	7.0
93.07031	20.1
95.04941	6.5
95.08575	13.4
97.10178	3.5
105.07008	22.4
107.08585	19.7
109.06514	2.9
109.10147	24.4
109.10886	3.1
109.56757	2.1
113.05984	76.0
117.06999	4.9
119.08557	18.3
121.06483	4.0
121.10129	100.0
123.08035	6.4
123.11658	9.1
125.05986	3.2
127.21779	2.0
128.06184	2.5
130.07803	3.3
131.08514	5.6
133.10103	18.2
135.08040	5.4
135.11688	21.9
137.09602	2.8
137.13249	4.3
139.07527	2.9
142.07716	2.3
143.08594	3.0
145.10098	12.7
147.08128	2.3
147.11659	7.5
149.09613	3.5
151.07544	6.7
151.11180	13.6
153.09047	4.9
155.10655	4.0
156.27858	2.3
157.10085	6.9
159.08000	4.1
159.11670	5.1
161.09605	4.4
163.11139	18.6
165.12840	2.3
167.10628	4.1
169.08640	4.0
171.08095	3.4
171.11649	4.6
173.09595	41.2
173.10869	1.6
173.13217	3.6
175.11159	4.0
175.14719	2.4
182.10919	2.6
183.11667	3.2
185.09592	3.0
185.13158	2.2
187.11143	4.7
189.12799	2.5
189.16402	3.3
191.10655	5.2
195.10149	4.8
197.08084	2.5
201.12718	5.5
203.14284	2.9
203.17958	3.4
205.12404	2.1
211.11253	2.5
211.14857	2.6
213.12640	2.4
213.16336	2.9
215.14301	6.2
221.15398	3.6
227.14297	5.0
229.12267	7.2
229.15875	8.2
241.15865	4.8
245.15343	11.0
247.16841	3.2
251.18008	2.9
253.19470	8.7
257.58966	2.5
263.16351	3.7
269.18942	4.8
271.20502	48.8
289.21497	5.2
297.18497	5.8
313.21429	12.1
315.16132	2.7
315.19525	29.9
333.16873	2.8
333.20630	27.8
341.15546	2.1
345.19812	5.0
355.26273	3.0
383.25821	28.0
401.26828	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	401.2682
Annotation	Ophiobolin A
Peak:m/z	Relative Intensity
54.68336	0.7
55.05494	1.3
57.03400	0.7
57.07041	1.5
67.05461	2.1
69.03410	1.1
69.07050	3.3
69.95986	2.4
69.96416	1.9
71.04620	1.0
71.04982	11.1
74.00522	0.8
79.01138	0.7
79.05463	1.9
81.07056	3.7
83.01302	2.0
91.05453	2.9
93.07050	5.0
94.59660	0.6
95.04944	2.9
95.08550	2.1
97.10209	0.6
105.07027	6.9
107.04930	0.9
107.08585	8.0
109.06465	1.1
109.10133	2.3
117.06977	2.0
119.08587	7.6
121.06476	1.9
121.10129	4.7
123.04424	0.7
123.08051	0.8
123.11698	9.0
130.07745	1.4
131.08595	1.1
133.10089	1.6
135.04359	0.7
135.08044	2.8
135.11678	9.3
135.51051	0.6
135.79498	0.7
137.05934	1.0
143.08508	2.2
145.10123	7.9
149.05983	7.5
149.09541	1.2
155.08521	1.5
157.10054	0.8
158.07257	1.5
159.08002	2.5
159.11662	1.6
161.09605	1.4
161.13242	11.8
163.11159	1.6
172.12442	2.2
173.09613	5.7
173.13171	1.1
175.07533	1.9
175.11150	1.6
176.08311	1.1
177.09071	1.4
178.15712	0.6
179.10629	1.0
183.08070	1.0
185.09592	1.5
186.10391	0.8
187.07516	1.8
187.11147	1.3
187.14796	4.7
188.08215	1.4
189.09047	4.5
190.09813	1.0
191.10646	100.0
192.10988	3.5
193.01666	0.7
197.13200	1.8
198.78760	0.6
200.11909	4.4
201.09096	15.9
201.12862	1.0
203.10645	6.6
205.08589	4.8
205.12154	1.7
205.15848	0.9
213.09088	1.5
215.10683	1.8
215.14281	2.8
217.12248	1.7
219.10124	7.7
219.13722	1.6
225.12791	1.1
228.11497	4.6
229.12210	3.5
231.13739	1.1
233.15334	6.8
237.13008	0.8
243.13771	15.5
244.14163	0.9
245.15530	0.7
249.14951	1.9
257.15295	1.9
261.14835	74.1
262.15298	3.0
271.17026	0.8
275.76096	0.7
297.18509	4.2
304.57742	0.9
311.20111	1.8
313.21576	18.2
314.21774	1.0
329.20996	1.6
345.49905	0.6
352.27753	0.6
365.24707	1.5
383.25790	42.0
384.26074	3.1
401.19296	1.2
401.26843	21.4
401.38126	1.7
402.27310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2681
Annotation	Ophiobolin A
Peak:m/z	Relative Intensity
53.00288	1.1
53.03935	1.5
55.05510	4.4
57.07056	3.8
59.04982	1.1
67.05483	3.7
69.03415	2.8
69.07056	16.4
70.13051	5.5
71.04987	8.9
79.05476	4.4
81.07045	6.6
83.04969	1.0
83.08623	2.0
91.05459	4.9
93.07027	17.0
95.04955	8.5
95.08570	5.0
97.06503	1.1
97.10149	1.0
102.09187	1.1
105.07004	7.2
107.08565	11.8
109.06525	1.4
109.10143	3.6
113.06006	1.6
117.06997	1.4
119.08573	9.2
121.06484	22.7
121.10123	14.6
123.04401	1.8
123.08038	3.6
123.11679	3.8
125.09628	1.9
129.06914	1.1
131.08551	3.5
133.10094	4.2
135.04401	2.0
135.08038	1.7
135.11681	11.1
137.06000	2.1
137.09599	1.0
140.54970	0.9
142.07777	1.0
143.08510	1.4
145.10065	5.6
147.11674	1.7
149.05975	2.7
149.09583	2.1
157.10135	1.8
159.08054	2.3
159.11703	2.0
161.09634	3.5
161.13266	1.9
163.07520	3.7
163.11163	4.0
165.09135	1.6
169.10098	1.5
171.08127	1.1
171.11690	1.9
173.09560	4.8
173.13248	2.0
175.07523	2.5
175.11174	4.0
177.05560	1.0
177.09085	4.6
177.12701	2.0
179.10684	2.4
185.09619	1.4
185.13199	1.3
186.10385	1.1
187.07593	2.0
187.11150	3.5
187.14798	1.5
188.08217	1.6
189.09100	4.8
189.12737	1.7
191.10619	13.5
195.06555	2.6
195.10161	1.1
197.09595	1.3
197.13249	1.7
200.11942	1.6
201.09067	6.2
201.12746	3.0
203.06990	1.8
203.10588	3.4
203.14200	2.3
205.08562	3.6
205.12218	8.3
211.11224	1.2
213.09070	1.7
215.10690	4.2
215.14227	2.0
217.08588	1.6
217.12303	2.4
218.09259	1.3
218.12852	1.4
219.10196	5.8
219.13840	5.2
221.15326	1.5
225.09084	1.5
227.10715	1.4
227.14284	1.3
228.11443	2.0
229.08745	1.7
229.12193	13.2
229.15747	1.1
231.13792	1.7
239.10585	3.2
239.14178	1.6
240.11510	1.1
241.12201	1.7
242.13060	1.5
243.13695	5.6
245.15453	1.0
247.09581	1.1
247.13336	2.0
249.14864	2.2
251.10629	1.1
253.12239	1.1
255.13658	1.6
257.11667	1.0
257.15302	5.1
261.14825	24.3
266.12988	1.2
267.13730	1.6
269.15622	1.1
275.16360	6.5
279.12280	1.0
281.15393	3.8
297.15280	1.5
297.18494	5.9
299.16415	6.2
299.19766	1.8
303.19662	1.0
311.19955	2.7
313.21558	8.6
315.15851	3.7
315.19446	3.0
323.20258	2.7
325.18073	1.1
327.19601	3.2
331.22559	1.8
337.18146	1.0
339.19614	1.2
341.21054	2.2
358.21405	1.3
359.21939	2.1
365.24744	4.3
383.25757	100.0
384.26114	7.0
401.26874	49.9
401.38055	1.7
402.27090	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	401.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75339	1.9
55.05496	4.1
57.03426	1.6
57.07064	5.0
67.05502	9.6
69.03413	4.9
69.07058	19.5
69.61316	1.4
69.62009	12.4
71.04981	11.5
79.05471	4.6
81.07057	8.6
83.01313	6.0
83.04976	5.0
85.06538	2.8
88.69106	1.4
91.05457	7.7
93.07027	19.8
95.04942	4.8
95.08602	10.2
97.10156	2.1
98.20630	3.0
103.05523	1.6
105.07007	23.1
107.08595	15.3
109.06495	3.7
109.10151	11.3
113.05989	43.0
117.07008	3.5
119.08552	8.0
121.06503	4.5
121.10125	100.0
121.32623	1.3
122.10483	2.0
123.08038	6.4
123.11731	2.9
125.05960	4.0
125.09600	1.5
127.03917	1.5
130.07756	4.9
133.07530	1.4
133.10091	13.8
135.08017	3.0
135.11665	12.9
137.06003	2.0
137.09624	2.4
137.13208	4.2
138.32706	1.7
141.09062	1.7
143.08540	3.4
145.10104	10.1
147.11668	4.1
149.09633	2.8
151.05414	1.4
151.07515	5.3
151.11156	2.8
155.10681	6.0
157.10126	3.5
158.07237	1.8
159.11668	3.7
161.09607	3.1
163.07500	2.1
163.11168	23.1
165.12741	1.6
167.10669	3.5
169.08612	4.7
169.10014	1.7
173.09589	58.7
173.13200	3.4
175.11191	1.9
175.14873	1.3
181.08609	2.1
185.09563	2.1
187.07571	2.1
187.11172	2.9
187.14752	1.7
189.08972	1.6
191.10625	3.6
192.05833	1.5
195.10161	3.9
197.08105	3.0
197.13199	1.7
199.14795	1.8
201.12755	2.5
203.14310	5.9
205.12256	3.7
211.11221	3.1
211.14812	1.8
213.16463	1.6
215.14250	3.7
217.15984	2.1
219.17497	2.3
221.15343	3.5
227.14386	3.5
229.12123	7.2
229.15814	3.3
231.17496	2.3
233.15382	2.7
245.15381	16.7
253.19374	3.8
255.13879	1.5
259.16583	1.5
263.78549	1.7
269.18991	3.4
271.20508	12.2
287.19952	1.8
289.21509	3.3
297.18518	6.0
313.21576	3.7
315.19504	49.5
333.20590	37.2
355.26340	2.2
373.27347	2.5
383.25879	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	401.1591
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01862	2.3
67.05489	3.3
69.03422	2.0
69.07045	2.3
71.07590	5.4
79.05476	16.0
81.00098	1.6
81.03416	3.1
81.07051	2.8
85.02905	4.7
91.05471	6.9
92.91267	1.7
93.07015	2.4
95.04953	6.6
95.08578	2.1
103.05407	2.7
105.03378	2.8
105.07026	3.4
107.04945	34.7
109.06528	3.1
115.05408	2.9
116.06269	2.5
117.07021	2.2
121.06540	2.2
123.04405	5.1
124.05194	6.6
125.05962	3.6
127.03896	4.7
128.06230	2.3
129.06978	7.8
131.04945	1.9
131.08502	8.9
133.02878	1.9
135.04417	3.4
137.02328	10.1
139.03880	10.0
141.06961	5.7
144.05646	7.2
145.06473	4.5
147.04378	2.3
152.04634	3.8
153.01785	4.5
153.05458	2.1
156.05667	16.7
157.06471	5.1
158.07280	2.5
159.08041	17.4
161.06033	3.0
163.03899	7.7
167.07021	100.0
172.05133	2.1
173.05966	3.4
174.06694	2.2
175.03951	2.5
175.07489	3.2
177.05421	3.8
181.04927	2.2
181.08421	3.4
183.06625	3.0
184.05103	4.4
186.06810	4.2
187.07498	8.5
189.06956	2.0
189.09105	2.4
190.06192	3.1
191.07031	4.7
191.08600	4.1
193.08575	3.0
195.06534	3.3
201.09134	2.9
202.06198	7.4
202.07794	4.0
203.03398	4.2
203.08624	3.4
204.07698	3.1
205.08571	22.0
207.06453	5.1
208.05150	17.3
208.08810	2.2
209.07968	3.4
210.06870	2.6
211.07504	3.0
215.06967	4.2
217.08560	44.7
218.07198	4.6
219.08044	16.7
219.10213	6.2
220.08841	5.4
221.05901	5.8
221.09637	2.6
225.05544	3.2
229.08589	6.3
230.43646	2.1
231.02840	6.6
231.07976	5.7
231.10112	4.5
232.08743	3.8
233.05899	4.8
233.09615	4.4
234.06651	3.6
235.07510	4.9
236.04742	5.9
236.08344	4.7
237.05542	3.0
237.08830	2.1
238.06201	2.8
245.09663	2.5
247.07472	17.1
247.09694	25.2
248.08292	14.4
249.03580	3.4
249.05807	3.0
249.09102	6.5
251.06987	2.5
251.10709	2.6
254.05760	9.1
255.06625	4.9
257.04477	2.8
259.07455	5.2
260.08362	3.6
261.09100	7.0
262.09979	4.5
263.07040	7.4
263.10587	10.5
264.07736	12.4
265.08560	7.0
267.06445	3.1
269.08023	17.4
271.06570	2.9
271.09610	9.2
272.06754	3.5
275.06979	7.3
276.07758	8.8
277.08542	5.6
278.05826	2.4
278.09146	4.2
279.07431	2.6
279.10071	11.3
280.07446	2.3
281.08060	3.4
282.05246	6.9
282.08844	9.4
290.09332	8.0
291.10089	17.3
292.07159	4.7
293.08002	13.2
295.05960	2.9
295.09506	2.2
297.10950	2.1
299.05621	3.1
299.09106	8.3
300.09955	2.6
301.07083	5.4
303.06445	2.2
305.08072	5.4
305.11612	2.7
307.09589	16.4
308.10388	7.1
309.07654	2.4
309.11011	4.6
310.08243	5.6
311.09152	2.5
311.12665	3.9
313.10641	2.9
315.08588	66.2
316.09143	4.6
319.09525	11.3
320.10489	2.0
321.07657	4.6
322.08328	2.7
322.11801	2.3
323.05396	2.5
323.09006	3.3
323.12665	17.5
324.09781	2.7
325.10681	3.6
328.09433	5.6
330.10931	84.9
331.11703	20.9
335.09280	3.2
336.09702	4.6
337.10611	10.9
338.07959	2.5
339.12244	15.3
341.06586	16.3
341.13614	2.8
343.11832	16.6
351.12274	34.8
352.12817	4.6
353.10193	8.4
355.12009	3.0
356.12534	5.0
358.14090	5.4
359.07693	9.1
368.12497	10.5
369.13208	11.0
371.14758	7.3
383.14850	94.3
384.15390	2.1
401.11130	3.5
401.15887	35.7
401.20792	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54580	1.3
53.03928	1.7
55.01858	6.4
55.40068	1.4
57.03429	23.0
59.04978	2.0
60.18329	1.3
61.02916	15.9
62.06073	6.5
66.05779	1.5
69.03061	2.7
69.03423	43.0
70.06578	3.0
70.96562	1.3
71.01360	1.9
73.02906	60.3
81.03394	6.1
81.07070	1.7
85.02894	100.0
86.03210	1.7
87.04462	9.7
88.32116	1.4
91.03934	5.6
91.05458	2.9
97.02883	60.3
99.04436	4.3
103.03896	1.7
109.02898	7.7
111.04401	2.6
115.03914	38.5
123.04373	2.5
127.03892	32.3
130.23732	1.5
131.89015	1.4
133.04955	35.1
137.02335	3.8
139.03923	1.5
141.08940	1.6
145.04942	59.3
147.04378	4.8
150.07640	4.5
163.03941	2.1
163.06003	29.5
164.09547	1.6
165.01796	6.7
179.03387	2.3
183.02898	4.4
183.15686	1.9
203.03387	2.6
215.03450	3.2
221.04439	2.0
221.08014	1.8
223.05951	3.7
227.17612	1.7
231.02843	3.6
235.07811	1.5
241.07057	6.9
243.40648	1.5
251.14839	5.8
257.04431	1.9
259.08075	8.6
265.46738	1.7
275.05389	13.5
295.10184	4.7
341.06528	9.9
355.24313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1439
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
52.02973	2.1
55.01870	6.0
57.03424	5.9
61.02922	2.6
67.05492	3.1
68.99788	5.0
70.06567	4.1
71.04988	23.9
71.24442	5.0
81.03415	3.2
83.04977	3.2
85.02902	27.5
85.06551	2.7
91.05456	2.7
95.04964	6.0
97.02887	4.3
103.03938	5.9
105.06934	2.0
107.04922	2.5
109.02865	4.8
113.05992	25.5
121.02879	6.8
123.04412	24.9
125.02360	4.0
127.03906	4.6
135.04410	3.0
137.05913	2.7
139.03908	32.8
147.04378	7.4
149.05984	2.8
151.03899	39.0
153.01805	21.6
163.03857	19.9
165.01816	27.6
165.05473	8.5
167.07047	3.0
169.05049	5.6
171.02869	3.4
175.03862	3.9
175.07520	5.2
177.01810	34.4
177.05389	5.9
181.04932	7.3
183.02930	13.5
185.06003	2.3
187.03934	3.1
189.01881	4.7
189.05431	5.5
191.03401	29.7
193.04924	36.2
195.02878	100.0
196.03401	2.3
203.03140	2.9
203.07063	9.9
205.04942	52.9
207.02792	3.1
212.52049	2.2
215.03499	3.8
217.01190	2.4
217.04935	14.8
217.08569	5.2
219.02858	75.4
220.03247	2.6
221.08110	16.1
229.04984	3.3
231.02904	19.0
231.06573	2.6
233.04521	3.5
233.08069	41.9
235.05922	11.6
239.09149	5.9
239.12439	3.9
243.02950	3.2
245.08083	29.5
247.06067	10.0
249.03973	14.9
251.09169	30.5
259.06024	4.1
261.03912	27.6
263.09122	96.6
264.09494	3.6
273.11212	3.9
277.07281	2.6
279.04944	10.5
281.10175	34.7
287.09210	19.6
297.06076	14.5
301.10535	2.4
305.10162	46.5
317.10150	52.3
329.10120	18.0
335.11133	7.1
347.11276	47.4
365.12332	39.7
383.13528	13.6
401.14166	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42690	0.8
52.36441	0.9
55.01865	8.2
57.03432	14.3
59.04994	1.7
61.02917	11.1
61.04797	1.0
68.40104	0.8
69.03419	25.2
71.01349	2.1
71.04990	1.8
71.37927	2.1
73.02908	18.5
73.95685	1.0
81.03419	5.8
81.07047	1.1
85.02895	100.0
86.03232	1.4
87.04447	3.6
91.03952	6.4
91.05461	1.6
97.02880	32.6
99.04429	2.9
103.03947	3.1
109.02866	7.1
115.03918	13.7
124.11218	0.9
127.03896	26.9
132.06560	1.1
133.04959	15.3
137.02293	1.5
139.03899	3.3
145.04936	64.9
150.07605	2.5
152.07057	1.5
155.30730	0.8
163.03923	1.2
163.06004	29.4
165.01781	1.2
167.07082	1.1
177.05386	1.2
184.82323	1.1
223.06003	1.4
241.07080	2.3
251.08765	1.0
251.14888	6.8
255.48735	1.0
259.08212	2.4
268.66180	0.9
273.71295	1.0
275.05582	2.1
341.06412	2.6
370.55988	1.1
372.44205	1.0
400.13934	1.0
401.17834	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01858	5.3
56.85072	1.1
57.03426	16.3
57.07051	3.3
58.25016	1.0
59.04980	2.4
60.36809	1.2
61.02914	12.9
64.45671	1.0
69.03418	29.5
70.06606	2.0
70.12578	1.1
70.18565	1.1
71.01350	2.4
71.04976	1.4
71.08591	1.1
71.35343	2.3
73.02904	83.0
75.04479	1.9
81.03410	7.5
85.02891	100.0
87.04450	4.9
87.08069	1.2
91.03928	5.2
91.05419	2.0
95.04946	2.1
97.02876	56.2
99.04420	5.8
103.03909	2.9
105.03376	11.6
105.06990	1.5
106.03693	1.2
107.04948	1.1
109.02843	8.5
111.04379	1.1
115.03915	23.3
123.04448	1.2
127.03896	34.9
130.35950	1.1
132.06497	1.2
133.04945	34.1
133.10016	1.6
137.02342	3.9
139.03903	2.5
145.04939	56.3
146.82820	1.0
147.04272	1.1
149.05826	1.0
150.07574	3.1
152.07036	4.1
163.03937	1.6
163.05997	32.9
163.07312	2.2
165.01790	2.2
169.04855	1.1
175.03857	1.3
179.07053	2.1
183.02895	3.0
185.11642	1.4
189.11169	13.2
191.03424	1.2
193.04930	1.7
199.05960	2.3
203.03334	2.5
215.03600	1.5
215.56978	1.0
217.06949	2.1
220.57053	1.2
223.05908	5.8
231.02856	4.3
239.09167	1.0
241.07010	8.7
251.14769	6.2
257.04398	1.7
259.08054	11.5
273.03976	1.1
275.05484	4.7
277.09134	2.2
295.10214	3.9
319.11191	1.1
323.00223	1.1
341.06622	7.0
355.08069	1.5
363.23587	1.1
365.92975	1.2
383.13409	2.2
400.13806	1.3
401.08649	1.5
401.17886	2.8
408.87286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01870	1.2
55.05491	1.8
57.03426	6.4
59.04979	0.6
61.02911	1.2
65.03920	0.8
67.05485	1.1
68.99763	0.9
69.03413	1.9
69.07053	4.7
70.96664	1.4
70.97028	0.7
71.04979	0.8
71.08624	0.8
72.08151	1.7
79.05482	24.6
80.05822	0.8
81.03413	1.4
81.07043	100.0
82.07372	2.0
85.02888	8.9
91.05473	1.3
95.04948	2.5
97.02902	2.4
97.06506	5.7
99.04456	1.0
99.08079	46.8
100.08431	0.6
105.03380	9.3
105.07018	1.3
107.04928	1.4
107.08595	0.9
109.02892	0.9
109.10123	0.5
111.04450	0.9
111.08096	0.6
119.08530	0.5
121.10134	0.5
123.04410	15.7
123.05258	1.0
123.08040	0.6
127.03911	2.2
129.05406	0.5
131.08562	0.7
133.06505	0.5
137.05981	0.6
139.03877	20.1
141.05397	0.7
145.04988	1.4
145.06424	0.6
145.10112	0.5
147.04407	1.0
147.11688	1.4
149.02347	1.1
149.06018	0.5
153.01843	5.6
153.04248	0.6
153.05453	11.9
154.02292	0.5
159.08034	0.9
161.05998	1.8
163.03865	1.6
165.05406	1.3
167.03421	0.8
167.07016	3.6
173.09679	1.3
175.07541	2.7
176.14284	0.8
187.07581	0.6
189.08914	0.7
201.09096	1.7
203.10603	2.7
203.17949	0.6
205.08594	0.6
217.08528	2.6
219.08174	1.0
219.10153	7.5
221.09540	1.1
221.11694	20.1
222.11978	0.7
231.10165	1.1
233.11678	1.1
238.19157	0.6
243.10239	2.0
247.07402	0.6
297.23065	0.5
300.05774	0.5
301.07166	0.6
302.03787	0.9
303.04782	1.0
314.03754	1.3
315.08786	1.3
330.10834	1.6
337.10504	0.6
339.12350	0.7
341.13779	0.6
343.11673	1.7
351.12387	0.7
355.11652	2.2
356.08414	1.5
369.13370	0.8
383.11118	1.4
383.15131	1.7
400.10883	7.3
400.24329	0.7
401.12112	1.7
401.16013	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	400.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
54.41383	0.6
55.01844	1.1
55.05499	2.9
57.03420	1.7
59.04980	0.5
61.02924	2.3
62.06079	6.9
69.03414	4.6
69.07049	1.1
70.06577	3.0
71.04980	1.1
71.07365	1.1
71.08605	0.8
71.78693	0.7
72.08146	2.9
73.02893	0.7
73.06547	2.6
75.91179	0.5
79.05470	1.0
81.03387	1.9
81.06982	0.8
83.01328	0.5
83.04964	0.7
83.29180	0.4
85.02893	11.8
86.09682	0.6
87.04449	1.0
91.05459	1.9
93.07037	0.9
97.02885	4.5
97.06515	0.6
99.04443	1.2
102.05544	0.5
103.05453	3.0
105.07020	4.4
107.04959	2.6
109.02859	2.0
110.07157	1.4
111.04416	0.7
113.05956	0.6
115.05474	0.9
115.07520	0.9
117.05512	0.9
117.06995	5.2
118.06530	0.7
118.36426	0.5
119.04924	0.7
120.08087	32.5
121.06511	0.5
121.08461	0.7
127.03889	2.3
129.06976	0.9
131.04918	2.5
132.08052	0.7
135.04366	1.5
139.03894	0.9
141.01851	0.7
145.02800	1.0
145.04977	1.1
145.06293	0.5
147.04387	2.5
150.05504	0.6
151.03915	1.1
152.05655	2.9
153.01830	0.6
157.10121	1.1
157.12192	0.8
163.03893	13.6
163.07574	0.5
166.08621	3.1
167.10579	0.6
169.04860	0.5
174.12761	45.3
175.13098	1.8
179.07066	0.8
181.04951	1.0
189.11180	2.4
192.13806	36.3
193.04967	0.6
193.14227	1.7
219.06412	0.6
220.06940	0.8
220.09778	0.5
220.11343	1.0
220.13301	13.4
221.13754	0.8
229.04872	0.6
238.14349	100.0
239.14653	4.1
247.05975	1.2
268.13986	1.0
303.13733	0.8
339.08157	0.5
364.17404	0.8
400.14609	0.9
400.19617	11.1
401.19638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98938	0.6
55.01862	0.7
55.05502	11.6
57.03423	3.5
59.04975	1.0
61.02903	0.6
62.06056	2.3
69.03412	1.2
71.08586	0.6
71.77129	1.0
74.06075	0.9
81.03397	1.0
83.04964	12.7
83.08578	0.8
85.02901	5.5
85.49787	0.6
87.04449	0.9
91.05453	1.2
97.02869	2.0
97.18002	0.6
99.04427	0.7
99.40471	0.7
101.06004	30.6
104.07079	1.1
105.06928	0.8
109.02867	0.6
111.04423	30.6
112.04775	0.8
121.06503	0.6
123.08037	1.3
124.83806	0.6
127.03897	0.8
129.05463	24.7
130.05794	0.8
135.04388	0.7
137.05956	1.2
139.07561	1.3
145.04959	0.8
145.74524	0.7
147.06499	13.8
156.02759	1.0
157.08591	1.3
163.03894	7.5
163.07509	0.7
164.04001	0.6
167.06964	0.7
175.07541	0.9
185.08070	1.6
192.10005	0.8
203.09117	100.0
204.09477	2.6
208.06186	0.7
208.09489	0.8
209.08151	0.9
221.10178	10.1
238.10732	3.7
239.05440	0.7
251.09613	0.6
251.73180	0.8
315.32037	0.6
389.25134	0.6
400.15747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05501	13.5
57.03416	5.4
59.04979	2.3
61.02917	0.9
62.06081	5.0
69.03406	2.7
70.06570	1.0
70.29836	0.8
71.04971	1.1
71.08651	0.7
71.78138	1.4
73.02875	1.0
74.06059	1.0
75.04475	1.0
81.03400	1.4
83.04966	17.2
83.08598	1.8
84.08118	1.1
85.02901	6.0
86.09672	1.5
87.04449	1.6
91.05421	1.1
93.05479	1.3
95.04950	1.3
97.02852	3.6
101.06001	31.2
104.07039	1.0
105.07042	1.0
111.04427	28.2
112.04722	0.7
117.03397	0.7
120.99503	1.0
123.08006	1.1
127.03882	2.3
129.05450	26.6
131.01552	1.7
135.04369	1.7
136.06171	0.9
137.05849	1.2
145.04936	1.2
146.16473	1.0
147.04442	1.7
147.06494	14.5
163.03888	10.1
164.04253	0.9
175.04250	2.7
177.29913	0.8
180.08537	0.9
181.04895	1.9
185.05988	0.7
185.07977	1.6
192.10123	1.1
203.09109	100.0
204.09532	3.5
221.04675	2.0
221.10175	10.5
238.10654	4.6
239.09335	2.6
242.98402	1.1
250.09250	0.8
251.09612	0.9
279.20490	0.8
291.36121	0.8
400.16162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01860	0.6
57.03426	0.9
57.07051	0.5
61.02913	1.0
68.69215	0.4
69.03426	2.0
69.07057	0.4
69.86621	2.1
69.87042	0.9
69.96522	0.4
71.04987	3.6
73.00748	0.4
73.02907	0.6
79.05481	2.7
81.03391	2.5
81.07017	0.9
85.02892	8.6
86.51888	0.4
88.38663	0.4
91.03925	0.8
93.07008	0.5
93.66102	0.4
95.04933	0.8
97.02860	2.7
97.06523	1.4
98.20673	0.4
99.04441	100.0
100.04763	1.0
105.03373	7.0
107.04997	0.6
109.02834	1.0
109.10175	0.6
113.66481	0.4
121.02753	0.4
123.04406	3.2
127.03923	1.6
131.08649	0.5
137.02365	1.0
139.03932	0.5
145.04968	2.1
153.01819	3.7
154.02162	1.2
161.05862	0.6
167.07033	0.9
173.68294	0.4
180.08607	2.3
181.04803	0.5
189.05478	0.5
196.62358	0.4
202.09433	0.4
203.10593	0.4
211.51396	0.4
212.34358	0.4
219.10117	0.5
219.17352	0.5
227.06740	0.5
238.08591	0.5
238.10616	2.5
253.04901	0.6
260.00232	0.4
263.07129	0.4
287.02142	0.8
292.02716	0.6
301.75702	0.5
315.08728	0.7
341.06674	0.4
353.99585	0.5
354.99600	0.8
356.08398	1.2
359.00351	0.7
378.09973	0.5
382.09940	1.3
383.10965	0.9
383.15286	0.7
400.10892	4.8
401.11813	0.5
401.16489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
59.04971	2.1
60.45023	1.5
62.06064	6.0
69.03400	5.0
70.06574	4.8
71.08614	2.8
71.80419	3.4
72.08133	4.3
73.02908	1.9
81.03384	4.0
83.04958	2.8
84.04475	3.6
84.08147	1.5
85.02894	12.7
85.10186	1.6
89.03889	2.8
90.40747	1.5
91.05463	2.6
97.02878	5.5
99.04438	2.2
99.95130	1.7
103.05442	3.9
105.06986	3.6
107.04926	2.6
111.04440	4.1
116.77503	1.7
116.92820	1.4
117.03389	2.7
117.06975	3.7
120.08090	26.6
123.04418	4.1
127.03893	3.6
129.05586	2.0
129.06647	1.5
130.04996	2.6
131.04843	2.4
135.04387	8.1
135.10159	1.9
137.05988	5.6
138.06392	2.6
145.02806	7.1
152.05653	19.6
163.03894	100.0
164.04257	4.1
166.08588	3.1
174.12775	30.6
178.08670	1.7
179.06982	5.5
180.07402	3.5
181.04956	3.7
191.06958	2.0
192.13806	21.6
194.85272	1.7
208.06082	1.8
211.04788	1.6
219.70184	1.5
220.13306	9.2
238.14349	78.4
254.11142	1.9
260.05444	1.9
268.14056	9.8
300.40036	1.8
355.10126	2.4
400.15036	2.0
400.19696	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.8
53.03924	0.9
55.01842	0.8
55.05493	2.4
57.03421	2.3
57.06835	0.6
57.07065	8.3
58.07388	1.9
67.05488	3.2
68.05907	0.6
69.03429	0.8
69.07058	36.5
71.08621	0.9
71.81837	1.1
79.05477	2.5
81.07062	5.4
83.01339	2.4
83.04974	0.9
83.08600	1.1
85.06518	0.7
85.10180	0.6
91.05465	3.0
93.07026	9.5
94.07323	0.7
95.04958	0.8
95.08595	3.9
95.75856	0.6
99.04410	0.9
105.03362	1.9
105.07013	2.8
107.04922	1.4
107.08580	8.5
109.06523	1.2
109.10158	4.7
110.32181	0.6
113.05960	0.7
119.06097	0.6
119.08567	1.9
121.06471	2.8
121.10109	2.5
123.08089	1.0
123.11700	4.8
123.77024	0.6
131.08537	0.9
133.06483	1.0
133.10104	0.9
135.04410	0.7
135.08034	3.5
135.11671	10.7
136.11971	1.0
137.12326	0.7
137.87154	0.6
145.10060	0.7
147.06589	0.9
147.07945	1.0
147.11588	1.4
149.05959	2.6
149.09598	1.0
151.07530	1.8
153.05399	1.7
157.06569	0.6
159.08092	0.7
159.11725	0.7
161.05936	1.0
163.07520	4.8
163.11223	0.8
165.05414	3.1
171.11641	0.6
173.09575	2.6
175.07510	2.0
177.05458	1.4
177.09071	2.8
178.06302	0.9
179.06958	4.0
181.12202	0.8
187.07532	0.8
189.05420	0.8
189.09126	0.7
191.06999	38.1
191.10664	1.8
192.07248	1.5
192.11009	2.5
193.11186	1.3
197.08076	6.8
201.09070	2.6
202.09441	0.8
203.06981	5.3
205.08589	14.0
209.08055	53.6
210.08440	1.4
215.07019	1.0
216.62088	0.7
219.10077	4.3
221.08026	3.8
223.09619	26.2
224.09943	2.1
229.08553	6.7
229.12041	1.0
231.10097	1.5
233.08087	1.5
235.13353	0.7
243.09999	1.0
247.09598	12.8
251.12801	0.9
257.11700	5.8
261.11227	0.7
275.12738	18.4
276.12982	1.2
276.16714	1.6
277.14270	2.7
277.16827	1.4
287.16367	9.0
289.14417	1.1
313.17975	2.4
325.18066	1.1
329.17343	2.1
331.18976	100.0
332.19287	8.3
343.19055	6.2
381.24207	0.7
399.24872	3.0
399.28424	3.4
400.25360	0.9
400.38022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35143	0.6
55.05514	0.9
57.07061	1.3
59.33567	0.6
69.07056	15.4
70.07389	0.8
71.08594	0.6
77.44044	0.6
79.05460	1.2
81.03410	0.8
81.07034	2.1
81.76007	0.6
83.01318	3.3
91.05462	2.3
92.45151	0.6
93.07040	7.4
105.07029	1.5
107.04874	1.0
107.08576	9.8
109.06499	0.9
109.10136	1.8
117.06989	1.0
119.08515	1.2
121.06481	2.3
121.10105	1.1
123.11687	7.9
135.04451	1.3
135.08005	4.6
135.11670	15.7
137.05940	0.9
146.50024	0.6
147.07944	0.9
148.09409	0.6
149.05927	3.2
151.57137	0.7
153.05429	2.5
161.05927	1.3
163.03806	0.7
163.07509	6.5
165.04108	1.5
165.05452	21.3
168.62166	0.7
174.81264	0.7
175.07477	2.0
175.09016	0.7
179.06987	0.9
191.07008	52.0
192.07384	1.8
197.08104	4.9
203.07019	6.1
205.08478	1.2
209.08063	100.0
210.08475	4.1
217.08574	1.0
219.10181	1.3
220.10487	1.2
221.08138	5.7
221.11841	3.0
223.09633	0.8
229.08398	0.7
237.23483	0.6
247.09700	0.8
259.13422	0.8
265.14227	1.7
275.12723	0.8
276.16702	1.0
277.14291	7.5
277.17062	0.6
286.15054	0.9
287.16376	17.6
288.16763	1.0
315.19409	0.9
329.17368	1.9
331.18964	35.6
332.19345	1.9
340.12653	0.7
343.18671	8.4
343.22507	1.4
389.86694	0.7
399.16000	2.6
399.24811	2.0
399.28732	0.9
400.17059	1.1
410.78391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
57.07058	0.8
66.15736	0.6
68.10262	0.5
69.07059	1.0
69.92203	1.6
69.92609	2.1
79.05476	1.2
81.07044	3.2
88.14774	0.5
91.05481	3.0
92.69884	0.6
93.07004	3.1
95.08584	1.6
98.87131	0.6
105.07002	2.1
107.08585	3.8
109.10105	1.6
114.78772	0.6
117.06989	1.8
119.08565	2.6
121.06492	7.4
121.10087	1.1
123.11681	14.0
123.12521	1.2
129.06979	1.3
131.08546	0.8
133.06474	3.3
133.10103	0.8
135.08022	10.3
135.11658	4.5
147.08022	6.4
147.11609	0.7
147.15944	0.6
149.06003	1.1
157.06459	4.4
161.04697	1.1
161.05959	14.0
163.03862	1.9
165.05547	0.7
175.07520	17.8
177.05405	0.9
185.05975	2.5
191.06984	2.6
193.08560	0.8
195.06519	0.8
203.06998	100.0
204.07330	4.0
207.06427	1.2
209.08145	3.4
217.08549	1.0
221.08052	71.6
222.08437	3.0
259.13284	8.8
261.11200	0.7
265.14346	0.9
277.14310	82.5
278.14682	5.2
285.14963	0.8
307.16946	1.0
308.87973	0.6
325.17853	3.2
343.18979	79.5
344.19360	6.7
399.25204	11.1
399.30075	1.0
400.25558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01876	1.2
57.03431	7.4
59.04979	0.7
61.02920	3.2
64.73434	0.5
69.03426	10.5
69.81525	4.4
70.06573	1.7
71.01328	0.9
71.04992	1.3
71.08620	1.2
72.08142	1.1
73.02902	2.2
75.00987	0.6
75.04471	1.3
76.26482	0.6
81.03416	6.5
84.08087	0.8
85.02897	24.7
85.06524	0.6
85.10161	0.7
86.03263	0.8
87.04457	1.5
91.03953	1.0
91.05469	0.7
95.04945	1.0
97.02884	8.7
97.06493	0.7
98.21452	0.8
99.04417	3.2
101.06025	0.8
102.04661	0.7
102.05631	0.6
103.04004	3.2
103.05459	44.1
104.05798	1.1
105.06980	0.9
107.04939	1.3
109.02863	3.8
111.04404	1.4
115.03943	1.0
115.05484	0.8
117.05479	1.6
127.03905	9.1
129.05484	1.5
130.04164	1.1
131.04918	100.0
132.05270	1.7
133.04904	0.7
133.06506	0.9
136.06245	0.9
143.08499	0.7
145.04961	4.8
147.04454	1.1
147.06516	1.4
148.05173	12.4
152.59291	0.7
157.06610	1.1
160.05211	1.1
161.05954	4.9
163.07529	60.2
164.07915	1.4
167.06992	1.1
173.09695	1.1
175.07545	1.6
189.09062	1.0
201.07498	1.1
201.09142	2.3
203.03278	0.8
213.05334	0.8
219.10172	1.7
219.13602	0.8
232.62578	0.6
237.07411	0.9
237.11182	3.1
245.08116	0.9
250.09438	0.8
399.16565	3.7
412.14075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01624	1.0
55.01847	5.1
55.05499	2.0
57.03413	1.5
57.07069	1.2
59.04983	1.1
67.05489	3.9
69.07040	1.5
70.82343	1.1
70.82686	3.0
71.08620	2.4
79.05479	2.7
81.03421	1.1
81.07040	2.8
83.08625	1.2
87.12038	0.9
91.05479	3.2
93.07013	2.2
94.04174	1.7
95.04948	2.0
95.08617	2.7
97.06469	1.0
101.06012	1.8
103.05448	2.2
105.07054	4.5
107.04948	1.0
107.08608	1.4
109.06477	2.0
109.10131	1.7
111.04449	1.2
115.05441	1.7
119.08521	2.1
121.06511	1.5
121.10078	1.1
122.03635	5.4
125.09621	1.1
128.06241	1.0
129.05490	1.1
131.04926	3.1
131.08562	1.1
133.06511	2.4
133.10107	1.5
135.11710	1.2
137.05957	52.8
144.05722	1.5
145.06465	1.3
145.10118	1.1
146.03584	2.3
147.04349	1.1
147.11667	1.4
153.01816	1.3
153.26131	0.9
155.04907	4.2
161.05940	13.3
165.05482	3.8
165.06985	2.9
166.07796	1.3
171.11656	1.2
172.05148	1.6
173.09631	1.6
177.05519	1.2
177.06967	1.3
178.07692	1.3
180.09355	1.2
187.07570	4.1
189.07034	3.1
189.11160	1.3
190.07745	8.0
191.08517	9.6
200.04610	2.3
201.07028	1.9
202.07823	3.6
203.08537	2.3
205.06473	3.0
207.08044	4.5
208.08774	3.1
215.06953	9.4
215.08684	1.0
217.06493	1.6
218.07239	15.4
219.08051	17.2
220.08682	2.2
221.05959	3.1
229.06381	9.6
230.07253	3.7
231.07985	1.8
233.06009	1.9
233.09686	2.1
234.06720	1.8
235.07465	12.7
236.08270	5.6
245.05858	1.7
246.06778	15.5
247.07487	22.6
247.56728	0.9
248.08174	5.2
249.05408	1.9
249.09128	2.3
250.09729	2.4
251.06851	1.5
251.10646	2.5
257.05853	8.3
258.06705	4.1
259.07547	5.8
260.08167	1.3
261.09094	31.1
262.06134	1.8
262.09503	1.9
263.06949	10.1
264.07761	10.8
265.08533	2.7
274.06201	16.2
275.06918	10.3
276.07730	2.1
277.08548	4.4
278.09378	7.7
279.10114	7.9
280.07385	1.0
285.18842	1.0
288.07620	1.5
289.08533	48.1
290.09271	9.2
291.06393	3.5
291.09506	1.0
292.07263	2.5
293.08365	1.1
293.11597	2.5
295.09631	3.3
296.10397	1.2
303.04919	1.1
305.08051	1.4
306.08835	15.8
307.06042	1.6
307.09616	51.0
308.10089	3.2
321.11163	100.0
322.11499	6.3
327.15326	1.0
339.12225	14.9
381.20203	1.3
399.10550	3.4
399.14990	1.6
399.25153	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01870	2.3
55.05497	1.5
57.03431	0.8
57.07065	0.6
60.58155	0.4
65.03953	0.5
67.05489	3.8
68.99775	1.4
69.03408	0.9
69.07062	7.0
70.06577	1.0
71.04998	0.4
71.08618	0.8
71.27574	0.9
79.05488	10.3
81.03405	0.9
81.07043	2.0
81.17227	0.6
83.04975	0.7
91.05455	1.2
93.03389	0.4
93.07008	0.9
95.04962	2.8
95.08583	1.4
97.02840	0.5
97.06519	44.9
97.10149	0.5
100.43900	0.5
101.06010	0.6
105.07017	1.3
107.04925	1.0
107.08573	1.3
109.02871	1.1
109.10119	1.0
111.00780	1.4
111.04427	1.1
111.08075	0.5
117.06982	0.5
119.08546	0.9
121.02850	1.8
121.06474	1.0
121.10108	1.1
123.04385	0.5
125.05962	0.6
129.05438	0.9
131.04927	0.7
131.08543	0.6
133.10118	0.8
135.04353	0.5
135.11687	0.8
137.02328	7.5
137.03372	0.8
145.06477	0.4
145.10091	0.7
147.04431	0.9
147.06490	1.2
147.11642	0.6
149.02345	0.5
153.01801	8.0
157.06483	0.4
161.06036	0.6
161.09584	0.4
161.13216	0.5
163.03859	1.5
163.11165	0.7
165.01831	3.7
166.02594	0.7
171.75703	0.6
173.05919	0.6
173.09608	0.9
177.05515	0.5
183.02873	1.2
183.04379	0.8
187.03929	1.0
191.06984	0.5
200.04637	1.0
201.05432	3.1
203.03415	0.6
204.04033	0.7
205.05005	0.5
217.04977	1.2
227.03326	0.6
228.04088	3.1
229.04962	7.0
245.04404	2.6
247.05965	0.7
255.02744	0.5
255.19656	0.6
256.03470	0.8
257.04385	4.6
273.03906	11.0
274.04633	5.1
275.05359	1.3
285.03903	2.9
300.91464	0.5
301.00006	0.5
301.03403	12.5
302.04172	39.0
303.04947	100.0
304.05200	2.3
315.04932	7.2
329.02826	4.1
339.04831	1.2
347.03891	0.5
353.10052	1.1
355.08041	1.2
363.08185	0.6
381.09625	6.8
399.10608	14.1
399.20224	0.6
399.25275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.3
56.96556	61.2
57.07059	1.3
69.03414	2.3
70.50055	4.4
70.61982	0.8
71.08612	1.5
71.95254	2.2
74.97591	1.7
80.96572	0.9
84.95540	1.7
84.96019	17.6
85.02883	3.2
89.03906	1.6
97.02872	8.5
98.20701	1.2
98.97567	100.0
101.06008	1.3
102.05515	2.0
102.97066	2.1
107.82686	0.9
110.97552	17.3
111.04390	1.5
112.98405	0.9
112.99117	4.5
116.98606	73.0
117.03349	1.6
124.99093	1.3
127.03909	1.7
128.98582	31.9
129.05452	2.2
131.00151	8.2
134.99632	38.2
135.04373	3.8
136.06154	8.9
140.00175	2.9
140.98579	2.8
143.00137	15.4
144.98050	4.2
145.01733	1.1
145.02847	1.8
146.06007	1.5
146.99622	28.4
147.04285	2.5
149.01196	7.1
151.00612	1.5
152.98601	1.0
153.00682	4.1
155.00146	1.2
158.01213	1.5
158.99622	13.1
161.01196	41.8
162.99106	6.5
163.03877	16.8
164.04276	1.2
165.00696	4.4
169.01756	4.7
170.01303	1.3
170.99625	7.8
173.01166	1.4
174.99092	2.3
176.98633	1.5
176.98914	1.6
177.00682	20.9
177.02086	1.6
179.02228	14.1
179.03661	1.2
182.99573	2.2
184.02782	2.5
187.02797	5.2
189.00668	10.3
194.99638	7.1
195.01724	3.5
196.71463	1.0
197.01256	1.1
200.02306	1.8
201.00636	11.9
207.01669	2.5
213.00676	81.0
214.01094	1.8
219.01714	52.7
223.02864	1.4
231.01727	64.1
232.02190	1.8
236.02248	3.1
237.00682	5.1
237.02773	81.5
238.03094	2.9
242.03235	2.1
249.02692	1.5
250.09305	8.3
254.03465	1.8
255.01428	6.3
255.04190	5.5
257.04398	1.1
260.04291	3.0
261.02737	2.8
267.01675	2.6
273.02863	5.1
279.01459	2.7
279.03891	3.2
281.03244	3.2
285.02722	2.7
291.01740	9.6
297.02844	3.9
299.04324	1.8
303.01645	1.1
309.02667	3.6
321.02704	4.9
335.18265	1.0
339.03683	23.7
340.04077	1.1
357.04846	42.5
358.05145	2.7
375.05908	13.0
380.06613	2.4
399.05905	94.9
399.12222	3.7
400.06186	6.7
417.06943	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	398.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06296	0.2
52.66142	0.2
53.56549	0.2
54.98633	0.2
56.96559	7.3
57.97340	0.2
69.93154	0.4
69.93569	1.0
71.95252	1.2
82.63390	0.2
98.97569	55.9
99.97873	0.2
116.98608	54.8
117.98943	0.3
119.01889	0.4
130.93279	0.5
134.99640	33.8
136.00053	0.2
140.00183	1.3
153.00697	4.4
154.93298	0.4
158.01270	1.6
172.94351	2.0
190.95389	4.4
197.95212	0.5
208.96399	1.9
214.95317	1.5
219.02112	0.3
232.96451	7.6
250.94849	0.3
250.97501	5.5
251.97699	0.2
255.95308	0.2
255.97926	0.4
256.96393	13.1
258.99738	2.5
260.00018	0.3
261.03134	0.5
273.99136	0.4
274.97470	100.0
275.97852	1.6
276.97763	0.4
277.00745	4.5
278.00919	0.3
283.00061	0.3
288.99109	0.4
290.95584	0.2
292.98529	72.7
293.98895	1.3
294.98694	0.2
297.99091	5.1
298.97488	0.4
301.00964	0.5
302.01282	0.3
303.00528	0.2
306.99930	0.2
310.99582	0.8
314.95480	0.2
316.00098	2.8
316.98599	1.1
332.96640	0.3
333.25006	0.3
347.83246	0.2
350.97699	0.2
357.04144	0.2
374.98438	0.4
375.97632	0.5
398.97580	1.8
416.98682	4.7
417.98895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.6
57.07057	13.8
67.05499	22.5
68.85737	2.7
69.07060	25.6
71.08618	10.9
71.60435	5.3
79.05483	14.7
81.07044	46.4
83.08597	12.1
85.10168	8.7
85.16377	2.7
91.05473	12.6
93.07038	26.2
95.08590	42.0
97.10149	7.3
102.79002	3.1
104.03572	2.9
105.07009	28.0
107.08578	22.7
109.10137	32.9
111.11704	9.1
119.08575	19.7
121.10133	14.8
123.11686	11.0
131.08516	4.7
133.10123	18.0
135.11671	33.3
137.13202	4.7
145.10069	4.0
147.11655	41.4
149.13269	20.7
159.11644	5.1
161.13255	42.8
163.14780	7.3
165.16240	4.6
167.59677	3.1
175.14752	15.5
187.14752	3.2
189.16385	8.1
201.16322	3.1
203.17918	6.6
215.17926	10.0
217.19574	5.8
243.21065	11.0
257.07895	3.6
257.22620	3.2
262.89426	5.4
315.30328	4.3
350.94614	4.0
392.95755	4.1
397.38260	100.0
398.38852	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50745	1.3
53.03928	4.4
53.85478	1.1
55.01867	6.3
55.05489	1.2
57.03432	7.4
57.07073	6.6
59.04993	57.1
61.02920	7.7
67.05482	2.9
68.99782	2.3
69.03043	2.3
69.03419	45.1
70.06584	1.2
71.04994	5.5
71.82079	1.8
73.02904	4.8
79.05481	4.2
81.02951	1.3
81.03412	23.0
81.07040	2.8
83.01360	1.2
85.02894	100.0
86.03186	1.3
87.00820	37.6
87.04449	1.8
90.05316	1.1
91.05468	3.4
93.07018	3.4
95.04957	1.4
95.08580	3.1
97.02879	34.2
97.06483	1.4
99.04440	11.6
105.01853	75.8
105.07007	1.8
107.04935	5.8
107.08572	2.9
109.02859	27.3
111.04436	2.9
115.11189	20.5
117.01791	3.3
119.08540	1.7
121.10129	5.6
123.04415	4.3
127.03902	64.1
128.04237	1.5
129.01799	3.2
131.08566	1.6
133.10094	1.8
133.12209	13.7
134.04626	2.0
135.11696	2.3
137.05862	1.3
143.08603	1.3
145.04935	25.7
145.10144	1.7
147.02913	1.8
151.07491	3.3
153.01778	6.4
159.02878	10.1
159.11650	2.2
161.09590	1.7
163.03874	2.3
163.11131	1.3
167.07085	1.3
175.07492	2.2
175.13274	1.3
182.04955	20.4
183.02885	1.8
187.13330	1.4
189.03969	1.5
193.12207	1.7
201.12761	1.3
202.10764	2.1
203.03441	1.5
213.03816	2.8
217.08693	1.5
218.08084	2.5
218.16151	1.5
219.06367	1.8
219.13794	4.3
231.04971	18.6
231.07062	2.0
237.14854	10.7
245.04462	1.4
247.09666	2.8
248.09949	8.6
249.05893	5.8
263.05347	1.3
266.10687	18.2
267.06403	3.2
277.10736	2.2
278.11179	8.1
295.06137	1.9
302.10944	1.6
307.09537	1.8
309.07642	1.8
332.12103	1.5
334.98380	2.2
335.09338	1.4
351.09018	1.8
351.99686	1.6
352.55676	1.5
352.99500	1.5
355.08075	19.4
358.00082	3.4
362.13095	3.4
380.14313	4.4
381.09625	3.4
381.14044	2.1
398.15009	20.6
398.22739	1.5
399.10657	16.3
399.15115	3.2
399.19943	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	397.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.7
57.07071	15.0
67.05495	19.9
67.59869	1.0
69.06693	1.5
69.07056	23.4
71.08626	12.5
71.54854	1.2
71.55190	1.6
79.05473	10.7
81.07043	44.5
83.08608	9.7
85.10172	8.7
91.05455	12.4
93.07037	22.3
95.08595	36.4
97.10173	8.9
104.57812	1.0
105.07013	21.9
107.08569	18.1
109.10143	32.9
109.10881	2.1
111.11698	7.6
117.07040	1.1
119.08560	17.3
121.10124	13.3
122.12054	1.1
123.11696	12.4
125.13246	1.9
126.83996	1.0
131.08524	3.3
133.10118	15.2
135.11674	31.0
135.12653	2.2
137.13249	4.1
145.10071	5.3
147.11668	48.6
148.12035	1.3
148.62949	1.0
149.13248	12.9
151.14838	2.8
159.11665	4.7
161.13232	35.1
163.14818	6.5
165.16394	2.9
169.23169	1.0
173.13274	3.5
175.14809	14.9
177.16379	3.1
177.18222	0.9
179.03409	2.2
179.17831	1.1
187.14830	2.4
189.16315	6.6
196.29619	1.1
197.04462	2.5
201.16414	4.9
203.17952	7.2
215.17943	8.3
217.19449	3.5
229.19551	2.8
233.22418	1.4
235.24229	1.2
243.21069	6.4
247.24185	2.8
257.08182	2.7
257.22614	4.6
261.25726	3.2
273.25821	2.1
275.27295	2.2
285.25784	1.7
287.27463	5.1
301.28891	2.2
315.30380	4.1
379.18738	1.4
397.38248	100.0
398.38629	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	397.2735
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03928	0.5
54.24277	0.2
55.01857	0.6
55.05504	2.4
57.07076	1.7
61.47565	0.2
65.03922	0.5
67.05491	3.4
69.03411	0.4
69.07059	20.3
69.74851	0.8
69.75285	0.9
70.07368	0.4
75.59821	0.2
79.05474	2.7
81.03424	0.2
81.07044	8.0
82.07384	0.2
83.01308	0.5
83.08611	1.5
85.06512	0.2
91.05467	1.9
93.07028	4.6
95.04919	0.7
95.08588	3.2
97.10169	1.2
98.21473	0.4
103.05440	0.3
105.03333	0.6
105.06409	0.2
105.07021	1.8
107.04932	1.7
107.07912	0.4
107.08582	4.8
108.24202	0.2
109.02834	0.5
109.06470	0.7
109.10139	6.8
111.08075	0.3
111.11720	1.2
115.05410	0.5
117.06977	0.9
119.04911	1.0
119.08543	1.1
121.06448	0.8
121.10135	2.2
122.10909	1.4
123.04390	0.2
123.11686	18.5
124.12014	0.5
125.09547	0.2
127.03835	0.2
128.06187	0.4
129.07008	0.5
131.04919	0.3
131.07634	0.2
131.08539	0.8
133.06442	0.9
133.10117	1.0
135.04391	5.4
135.08049	0.4
135.11671	6.6
136.11996	0.3
137.02341	0.5
137.05913	0.4
137.09616	0.2
139.03836	0.6
143.08517	0.8
145.06436	0.9
145.10065	0.6
147.04335	0.9
147.07991	0.7
147.11667	0.7
149.05962	1.0
149.09676	0.2
151.03879	9.4
153.05443	0.5
155.08533	0.9
157.06406	0.5
157.10059	0.5
159.08049	0.6
159.11674	0.2
161.05949	2.0
161.09616	0.4
163.03882	15.6
163.07521	0.7
163.11086	0.2
164.04196	0.5
165.05493	1.8
165.09129	0.2
169.04994	0.3
169.10103	0.5
171.08049	0.4
173.05917	1.4
173.09648	0.7
174.03110	0.3
175.03885	6.4
175.07480	2.2
176.04271	0.3
177.05446	8.9
177.08990	0.3
179.03375	0.5
179.06985	0.6
181.04932	13.6
182.05214	0.5
183.08022	0.6
185.09628	0.4
185.13202	0.6
187.03870	7.2
187.07463	1.8
187.11115	0.2
188.04314	0.3
189.05440	6.8
189.09026	0.9
190.05943	0.3
191.07033	4.0
191.10640	0.9
193.08505	0.6
193.10077	0.3
197.04390	0.2
197.09560	0.4
199.07477	1.0
201.05435	30.3
201.09042	1.8
202.05896	1.3
203.07005	5.3
203.10649	1.2
204.06459	0.3
205.04950	1.1
205.08546	3.1
207.10123	4.6
207.11929	0.3
209.09599	0.2
211.07495	1.1
213.09061	0.7
213.12767	0.2
215.07022	4.9
215.10576	0.6
216.07640	0.4
217.08594	4.4
219.06558	1.4
219.10135	38.0
220.10503	1.7
221.11530	0.3
221.13345	0.4
223.11192	0.2
224.11919	0.3
225.09071	1.9
225.12692	0.3
227.06895	0.3
227.10555	0.5
229.08562	18.8
229.12210	0.5
230.09061	0.8
231.10115	3.6
233.08090	0.2
233.11719	0.8
238.09637	0.3
239.10672	0.4
239.14275	0.7
241.08635	0.4
242.09442	0.4
243.10135	5.5
243.13814	0.7
244.10568	0.2
245.11685	3.0
245.15337	0.4
246.12363	0.4
247.13341	0.3
249.12579	0.6
252.11389	0.3
255.10435	0.2
255.13770	0.6
257.07913	0.4
257.11682	6.0
257.15207	1.5
258.12201	0.5
259.13345	1.7
261.14771	1.3
263.16327	0.3
267.13754	8.1
268.14072	0.5
271.13245	1.5
272.13928	0.5
273.14825	7.5
274.15158	0.6
275.12784	1.4
275.16357	6.1
276.16727	0.3
285.14813	58.8
286.15158	4.0
287.16333	0.9
299.16330	1.0
301.17929	0.3
313.17905	2.4
313.21609	0.7
314.18466	0.2
315.19580	0.4
323.20038	0.6
327.19498	1.3
328.20273	4.3
329.21042	4.4
330.21753	0.2
341.21066	75.5
342.21408	6.2
379.18356	0.3
397.27338	100.0
398.27713	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	397.2733
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
53.03952	0.5
55.01622	0.3
55.01883	0.7
55.05502	3.5
57.07069	2.1
59.18323	0.1
65.03914	0.3
67.05493	4.4
68.11240	0.1
69.03419	0.8
69.07057	24.4
70.07385	0.3
71.04983	0.3
71.81056	0.2
71.81457	0.2
77.03963	0.4
79.05478	3.4
80.05830	0.2
81.03415	0.6
81.07043	10.4
83.01334	0.7
83.08605	1.6
91.05457	3.2
93.03400	0.2
93.07030	6.0
93.14685	0.2
95.01338	0.2
95.04944	1.8
95.08590	4.5
97.06507	0.4
97.10155	1.6
99.00819	0.4
103.05463	0.6
105.03383	4.9
105.07003	2.5
106.03722	0.2
107.04944	2.2
107.07840	0.3
107.08572	6.1
109.02879	0.7
109.06511	0.7
109.10138	9.2
110.10447	0.3
111.08121	0.3
111.11694	1.2
115.05459	0.8
117.07011	1.3
119.04918	1.5
119.08572	1.6
121.02894	0.2
121.06479	1.2
121.10120	2.8
122.10918	1.6
123.04415	1.0
123.08072	0.3
123.11687	23.8
124.12035	0.6
125.05999	0.2
125.09624	0.3
127.03880	0.3
128.06221	0.3
129.07002	0.7
131.04912	0.8
131.08572	0.8
133.06459	1.2
133.10118	1.5
135.04396	6.5
135.08035	0.8
135.11667	8.4
136.12012	0.3
137.02321	1.3
137.05972	0.5
137.09555	0.2
139.03850	0.8
141.01833	0.6
141.07010	0.4
142.07791	0.3
143.04913	0.3
143.08542	0.7
145.06505	1.2
145.10097	0.9
147.04385	1.5
147.08043	1.0
147.11668	0.6
149.05946	1.4
149.09624	0.2
149.13277	0.2
151.03879	11.8
152.04198	0.3
153.05461	0.8
153.06915	0.2
155.03372	0.5
155.08475	1.0
157.06448	0.6
157.10118	0.5
158.07210	0.3
159.04407	0.3
159.08046	0.8
159.11630	0.4
161.05914	2.8
161.09663	0.3
163.03874	20.4
163.07527	0.8
164.04230	0.6
165.05453	2.5
165.06862	0.3
165.09082	0.4
167.03398	0.7
169.04976	0.5
169.06415	0.3
169.10078	0.3
171.08023	0.7
171.11742	0.3
173.05937	1.9
173.09549	0.8
174.03249	0.2
175.03882	7.5
175.07506	2.8
175.11221	0.2
176.04271	0.2
177.05444	11.2
177.09077	0.6
178.05812	0.5
179.03368	5.8
179.06975	0.7
179.08490	0.3
181.04932	16.8
182.05344	0.5
183.08031	0.6
183.11609	0.4
185.05910	0.3
185.09627	0.4
185.13214	0.3
187.03874	8.3
187.07489	2.2
187.11159	0.3
188.04321	0.5
189.05434	9.1
189.09053	1.1
190.06000	0.6
191.07010	4.9
191.10674	0.5
193.04936	6.0
193.08522	1.0
193.10144	0.3
194.05307	0.2
195.10112	0.2
195.11711	0.3
197.04422	5.0
197.05989	0.3
197.09610	0.5
198.04868	0.5
199.07523	1.2
199.11172	0.3
201.05432	38.8
201.08986	2.2
202.05830	2.2
203.06999	7.4
203.10538	1.2
204.06570	0.6
205.04970	1.5
205.08568	3.6
206.10616	0.2
207.06535	0.4
207.10127	5.6
209.09674	0.4
211.05965	0.5
211.07681	1.2
211.11130	0.4
211.14735	0.3
212.08243	0.2
213.09108	0.6
213.12733	0.5
214.06154	0.3
215.07013	6.3
215.10652	0.8
216.07605	0.7
217.05147	0.9
217.08563	5.3
217.10544	0.4
217.12003	0.2
218.08987	0.3
219.06578	1.9
219.10127	43.7
220.10457	1.9
221.08014	0.5
221.11684	0.6
221.13318	0.6
224.11964	0.4
225.09035	2.5
225.12753	0.4
227.07007	0.3
227.10617	0.7
229.08557	24.2
230.08983	1.2
231.10120	4.6
232.10481	0.2
233.08095	0.4
233.11632	0.8
235.06001	0.5
239.10583	0.4
239.14262	1.1
241.08702	0.3
241.12112	0.2
242.09329	0.2
243.10155	6.8
243.13727	0.9
244.10394	0.3
245.08044	1.7
245.11678	2.9
245.15369	0.4
246.12367	0.4
247.09529	0.2
247.13283	0.4
249.12781	0.7
252.11440	0.5
255.10039	0.3
255.13779	0.7
257.08075	5.8
257.11694	5.4
257.15387	1.4
258.08405	0.4
258.12363	0.6
259.13217	1.6
261.14847	1.6
267.13763	10.7
268.14136	0.6
271.09619	3.3
271.13211	1.3
272.09927	0.3
272.14127	0.4
273.14804	9.0
274.15121	0.5
275.16379	5.8
276.16800	0.3
277.14340	0.2
285.14804	64.6
286.15125	3.7
287.16501	1.2
295.09631	2.4
299.13208	0.3
299.16376	0.9
299.19452	0.2
301.14456	0.4
301.17792	0.3
313.17935	2.4
313.21570	0.5
314.18372	0.4
314.57288	0.2
315.19510	0.3
323.12781	2.6
323.16391	0.5
323.20053	0.5
324.13287	0.4
327.19455	1.1
328.20270	5.0
329.21011	4.7
330.21490	0.3
341.21063	76.0
342.21417	6.0
342.25626	0.3
368.83899	0.2
379.18994	9.5
380.19220	1.2
397.27313	100.0
398.27679	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	397.2731
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
52.71825	0.7
55.05501	3.5
57.07072	3.7
67.05498	4.1
69.06693	1.4
69.07057	27.6
69.61797	7.1
73.93474	0.8
74.09665	0.6
77.41118	0.7
79.05470	3.5
81.07046	9.3
83.01315	0.8
83.04963	0.8
83.08585	2.3
85.10163	0.8
88.88255	0.7
91.05478	3.6
93.06602	0.6
93.07031	6.9
95.04936	2.1
95.08585	4.9
97.10154	3.3
105.03378	1.3
105.06995	2.8
107.04921	3.0
107.08556	7.3
109.02840	1.6
109.10137	9.0
111.11702	1.4
115.05521	1.0
117.06984	1.2
118.23122	0.7
119.04922	0.7
119.08559	1.5
119.14767	0.7
121.06441	1.8
121.10144	3.9
122.10889	1.2
123.04427	1.4
123.11685	22.7
133.06497	0.8
133.10069	1.6
135.04393	11.0
135.07996	0.9
135.11671	7.9
137.02267	0.9
137.05930	1.0
139.03886	2.2
143.08528	0.9
145.10074	1.1
147.04349	1.4
147.08015	1.4
147.11604	0.9
149.05925	2.0
151.03882	34.0
155.08521	1.2
159.08052	1.3
161.05956	2.3
163.03879	35.6
164.04228	0.9
165.05421	1.5
169.04956	2.2
173.05956	1.4
173.09578	1.2
175.03885	5.9
175.07489	4.1
177.05449	12.8
179.03371	2.1
179.06969	0.9
181.04933	31.1
183.08069	0.7
187.03900	3.9
187.07571	2.1
189.05443	7.6
189.09132	1.0
191.06990	4.9
193.08501	1.0
197.04445	2.7
199.07600	1.0
201.05438	20.6
201.09096	2.9
203.06987	9.9
204.06612	1.0
205.08572	4.0
207.10141	19.9
215.07072	3.3
215.10522	1.2
217.08597	8.5
218.08945	2.4
219.06583	3.0
219.10138	97.0
220.10435	4.5
225.09103	2.2
229.08563	18.9
230.08920	0.9
231.10168	2.6
233.11729	1.3
243.10222	4.8
245.11671	6.5
255.13849	1.9
257.08017	3.7
257.11615	3.8
259.13287	9.6
261.14874	1.8
267.13757	6.8
270.89096	0.7
271.13223	1.3
272.13513	0.9
273.14816	16.0
274.15207	1.0
275.13248	1.2
275.16391	32.5
276.16763	2.0
285.14801	49.9
286.15244	3.3
295.17203	0.8
299.16406	1.3
301.18054	2.8
311.27640	0.7
313.17825	4.0
313.21216	0.8
315.19501	3.1
323.19763	1.1
327.19498	3.7
328.20325	2.2
329.21024	13.7
330.21490	1.5
340.19794	1.1
341.21057	100.0
342.21365	6.2
392.95709	1.0
397.27328	86.1
398.23212	1.1
398.27756	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	397.2217
Annotation	Isoadenolin E, (rel)-
Peak:m/z	Relative Intensity
50.85221	1.8
53.03943	1.9
55.05504	13.2
56.96562	3.8
57.03432	2.8
57.07062	3.3
59.04991	3.6
60.27503	1.5
67.05501	16.2
68.41727	1.6
69.03425	7.4
69.07060	100.0
71.04989	5.9
79.05479	9.2
81.03416	4.3
81.07047	15.0
83.01330	4.0
83.04957	2.6
83.08611	7.9
85.02893	5.5
91.05479	7.2
93.07037	17.9
94.32333	1.4
95.04955	4.3
95.08601	15.9
97.02862	2.1
97.06519	8.3
97.10204	2.8
98.21442	3.3
101.02435	1.7
105.03390	1.9
105.07004	9.5
105.32010	1.5
107.08585	19.0
109.06546	3.2
109.10172	12.0
111.04427	3.0
111.08067	1.8
111.11713	19.5
113.06010	5.5
117.07026	3.2
119.08601	5.2
121.06513	4.9
121.10136	17.3
123.04445	1.9
123.08099	3.3
123.11727	3.2
125.05988	2.8
127.11206	2.0
131.08545	2.1
133.06438	3.0
133.10130	5.4
135.08057	5.2
135.11678	23.4
137.06017	2.0
137.09671	2.1
139.11182	13.1
143.08450	2.3
145.10114	5.5
147.11688	2.1
147.23654	1.7
149.05946	2.8
152.26201	1.7
153.05429	16.8
153.12735	4.9
157.10027	3.0
163.07520	3.1
163.11147	26.9
164.29141	1.5
165.05428	2.4
167.07068	7.1
169.04939	3.4
174.81816	1.7
175.07516	1.9
175.11163	2.6
177.09142	3.6
183.06525	6.0
183.29449	1.8
189.05460	3.7
191.07094	4.8
193.08531	2.9
193.12273	2.6
195.10085	2.0
197.08142	5.2
205.08565	11.7
207.06477	5.3
209.08008	3.1
211.13315	2.0
217.08623	2.8
217.12294	2.3
223.09607	18.8
225.07542	11.2
227.09045	14.1
229.05006	2.8
229.45378	2.3
231.13789	2.4
235.09531	9.7
249.14807	2.0
257.04425	19.1
267.09103	4.7
269.10657	3.8
273.04050	3.4
273.14886	4.1
285.10089	10.8
291.15930	7.2
308.11758	2.3
311.08929	2.6
325.17819	2.9
329.10028	2.3
343.18854	9.1
349.16843	2.0
361.20105	10.2
379.20990	3.8
397.25504	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2216
Annotation	Rubescensin O
Peak:m/z	Relative Intensity
55.01867	2.1
55.05500	5.0
57.07055	3.8
67.05497	13.3
69.03423	16.9
69.07052	7.4
70.06591	1.9
71.04981	6.5
79.05488	6.3
79.72573	2.0
81.07043	15.7
83.04985	2.2
85.02905	2.5
85.06535	2.2
87.16531	1.8
87.94920	1.7
90.00684	1.9
91.05480	5.0
93.07029	11.8
95.04951	6.1
95.08597	7.6
99.04439	3.4
105.07025	11.4
107.04915	4.4
107.08582	9.2
109.02886	3.1
109.06509	6.4
109.10155	14.2
113.05988	6.5
115.05467	2.3
119.08544	4.7
121.06504	4.2
121.10128	25.9
122.10937	2.5
123.04391	4.7
123.08067	4.4
123.11707	26.4
124.96371	1.8
125.02366	1.8
131.08560	2.7
133.06471	4.8
133.10106	9.3
135.04431	2.6
135.08026	3.2
135.11699	6.7
137.06029	4.6
142.07793	1.9
145.10152	3.6
147.08023	4.3
147.11601	2.8
149.05948	12.2
149.09570	1.8
151.03923	4.9
151.07494	13.2
153.05518	2.4
153.12724	2.1
161.05930	9.7
163.03902	4.9
163.11113	2.4
165.05458	2.4
165.08972	2.2
169.04990	9.6
171.08081	2.5
173.09564	2.7
175.07510	12.6
175.11182	6.6
177.09138	3.5
179.06990	21.1
185.09535	2.4
189.09201	2.3
189.12726	2.0
191.03326	14.0
192.40387	2.2
193.08578	5.7
197.07965	4.1
203.07004	16.0
205.08629	8.0
209.08049	2.6
213.12793	4.0
215.04410	1.8
217.08595	2.9
221.08058	52.2
222.08411	2.0
223.09631	7.0
235.09634	8.4
239.09109	100.0
240.09464	2.2
241.84996	1.8
247.09589	3.1
247.86285	1.8
255.13942	1.9
257.08191	2.0
257.11832	2.3
273.11124	2.3
273.14780	2.9
297.18347	3.7
301.14493	2.3
301.17911	2.0
315.19485	10.1
325.18103	9.7
343.18927	40.3
344.19128	3.8
361.20047	87.2
362.20364	5.3
379.21027	13.6
397.15701	2.7
397.26157	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	397.2007
Annotation	Fukanemarin A
Peak:m/z	Relative Intensity
50.48079	0.3
51.02349	0.4
53.03915	0.8
55.01611	0.3
55.01857	2.1
55.05503	1.4
57.03411	0.3
57.07061	1.4
59.04974	0.5
67.05496	2.5
68.99767	0.9
69.03367	0.9
69.07063	4.2
71.79491	0.4
77.03902	0.5
79.05482	2.6
80.04980	0.6
81.07047	2.4
83.00868	0.4
83.01324	4.2
83.08568	0.6
91.05020	0.3
91.05462	3.2
93.03408	0.4
93.07030	9.4
95.04961	3.3
95.08562	1.3
97.06503	0.4
105.03381	17.6
105.07035	1.7
106.03703	0.4
107.08580	12.0
109.02867	0.5
109.06443	0.3
109.10152	2.7
111.04423	0.4
119.08542	0.8
121.06433	0.6
121.10096	0.7
123.00749	0.3
123.04401	1.0
123.11700	3.1
127.03844	0.4
131.08542	0.4
133.10086	0.7
135.11676	15.5
136.11961	0.5
137.02310	4.6
141.01797	5.2
143.08488	0.4
145.10115	0.7
147.11617	0.4
150.02827	0.3
151.03885	6.1
153.05420	0.3
155.03377	2.9
161.02283	0.3
161.05894	0.8
163.03960	0.3
165.09129	0.3
167.03371	5.7
168.64832	0.3
169.04918	1.1
173.09624	0.5
179.03372	69.7
180.03722	2.2
184.07304	0.5
185.57242	0.3
191.03406	0.7
193.04958	3.1
195.02762	0.6
197.04430	57.8
198.04820	1.9
199.96016	0.3
203.03394	0.8
207.06531	0.7
211.05850	0.6
217.04927	4.9
218.05365	0.3
218.08798	0.4
219.06541	0.6
221.04442	0.7
227.07172	0.4
229.05121	0.3
229.51532	0.3
231.06593	0.5
235.03899	0.3
235.05942	1.8
245.04356	1.5
245.08083	8.9
245.10588	0.4
248.43190	0.4
255.06531	0.7
257.08054	100.0
258.08398	5.3
261.03821	0.4
264.01257	0.3
269.07892	0.4
271.09604	2.3
271.67831	0.3
273.03897	7.0
273.07028	0.5
274.04315	0.7
275.12732	0.7
281.08084	0.7
285.03940	0.9
295.09647	4.5
297.11230	0.4
301.14282	0.7
323.09387	0.4
323.12704	2.3
329.10132	4.6
329.17328	0.4
332.05505	0.3
341.09970	0.5
351.11142	0.4
361.17770	0.3
379.18979	30.3
380.19330	2.7
397.20139	13.9
397.25150	0.6
398.20584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.1
53.00311	0.1
53.03936	0.8
55.01864	2.0
55.05507	1.5
57.03424	0.1
57.07064	0.3
62.27875	0.1
65.03934	0.6
67.01869	0.2
67.05497	3.0
68.99771	1.1
69.03423	0.7
69.07060	7.9
70.91228	0.1
71.04404	0.3
71.04971	0.1
77.03561	0.1
77.03942	0.5
78.82720	0.1
78.92889	0.1
79.05489	1.7
81.03407	0.4
81.07052	2.0
83.01328	6.5
83.04983	0.2
83.08603	0.3
83.19675	0.1
84.01643	0.2
91.05464	1.3
93.03379	0.7
93.07034	3.6
95.04960	4.1
95.08588	0.9
97.06506	0.3
99.00817	0.4
105.03381	22.5
105.07001	1.1
106.03707	0.5
107.01315	0.5
107.04933	0.4
107.08582	3.7
109.02850	0.6
109.06515	0.5
109.10140	4.5
111.11714	0.4
119.04938	0.1
119.08583	0.4
121.06494	0.4
121.10155	0.3
123.00804	0.3
123.04418	1.4
123.11690	1.1
127.03904	0.4
127.11179	0.3
129.03418	0.3
129.06970	0.1
133.02818	0.2
133.06474	0.5
133.10114	0.3
135.04407	0.7
135.08017	0.3
135.11679	5.1
136.12074	0.1
137.02315	4.1
137.06003	0.1
137.09546	0.2
141.01808	4.8
142.02127	0.1
143.08508	0.2
147.04390	0.8
147.08017	0.3
149.05966	0.2
151.03889	5.9
152.04247	0.2
153.01807	0.2
153.05466	0.3
153.12721	0.4
155.03375	2.8
159.08038	0.2
159.11633	0.1
161.02304	0.3
161.05968	5.6
162.06201	0.1
163.03909	0.6
163.07500	0.2
165.09140	0.1
167.03387	1.4
169.04945	0.8
171.08073	0.2
173.09587	0.2
174.06775	0.1
175.03859	0.2
175.07516	0.4
177.05437	0.3
177.09140	0.3
177.12654	0.1
179.03372	73.7
180.03703	2.3
181.04938	0.9
189.05481	0.4
189.09097	0.1
191.03372	4.3
191.07002	0.9
193.04953	2.4
195.02879	0.2
195.06528	0.1
197.04430	49.6
198.04765	1.8
202.06187	0.1
203.03354	0.8
203.07025	0.2
205.04930	0.6
205.08614	0.3
207.06500	0.3
209.04446	1.0
209.08049	1.0
211.05867	0.2
211.07628	0.3
215.06996	0.3
217.04942	2.8
218.05696	0.2
219.06537	1.3
219.09923	0.5
221.04430	1.6
221.07990	0.3
223.05887	0.1
229.04919	0.1
230.22086	0.1
231.06468	0.4
233.08063	4.0
234.08389	0.2
235.05984	8.9
236.06310	0.5
237.07591	0.2
241.08586	1.1
245.08075	3.4
246.08372	0.2
249.07562	0.3
251.08952	0.6
255.10179	0.3
257.08051	100.0
258.08411	5.3
258.11200	0.1
259.13123	0.3
260.25394	0.1
269.08081	4.2
269.11157	0.2
270.08429	0.2
271.09641	1.3
273.03702	0.1
275.16190	0.2
278.12918	0.1
281.08102	1.3
282.08496	0.2
283.09644	0.4
283.12875	0.1
285.11118	0.2
293.11667	0.2
293.14908	0.1
295.09616	8.1
296.09964	0.5
297.11157	0.8
299.12750	0.3
301.14236	0.4
303.79965	0.1
309.11136	0.5
310.60562	0.1
311.12759	9.8
311.16193	0.6
312.13184	0.6
319.15277	0.2
323.12729	2.1
323.16269	0.2
324.13153	0.2
329.17432	1.4
330.17459	0.1
337.14264	0.2
344.96445	0.1
377.82596	0.1
379.18982	14.1
380.19446	1.4
397.19931	1.8
397.27365	0.2
398.19940	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	397.2004
Annotation	alpha,4,2'-Trihydroxy-4''-O-geranyldihydrochalcone
Peak:m/z	Relative Intensity
51.02371	0.2
53.03935	0.9
55.01857	1.7
55.05498	1.1
57.07059	1.1
65.03909	0.5
65.10473	0.1
67.01837	0.2
67.05495	2.5
68.06799	0.1
68.99777	0.6
69.03403	1.0
69.07056	3.2
69.59684	0.2
69.59976	1.6
77.03922	0.4
79.05479	1.3
81.03386	0.6
81.07046	5.2
83.01327	4.2
83.04961	0.3
83.08631	0.2
91.05463	1.5
93.03397	0.4
93.07031	4.9
94.07346	0.2
95.04949	2.8
95.08590	1.4
97.06497	0.4
98.20805	0.3
99.00805	0.4
105.03374	14.2
105.06995	1.0
106.03688	0.5
107.01273	0.5
107.04924	0.3
107.08572	5.7
109.02855	1.0
109.06473	0.6
109.10135	2.6
110.03149	0.2
115.05387	0.2
119.04874	0.2
119.08552	0.4
121.06481	1.0
121.10089	0.6
123.00779	0.3
123.04406	1.1
123.11687	16.8
124.12000	0.6
127.03884	0.6
129.03357	0.3
130.42171	0.2
131.08521	0.2
133.02786	0.3
133.10068	0.3
135.04405	0.3
135.11668	6.7
136.11978	0.2
137.02319	3.3
137.05933	0.2
141.01804	4.4
147.04346	0.2
149.02306	0.3
149.05893	0.2
151.03879	6.2
153.05411	0.4
155.03360	3.1
159.07982	0.2
161.02261	0.2
161.05936	0.6
163.03848	0.7
163.07553	0.2
165.05492	0.2
167.03381	2.1
169.04932	1.2
171.07982	0.1
173.06020	0.2
175.03825	0.3
177.05457	0.7
178.02083	0.3
179.03363	65.5
180.03700	2.2
181.04962	0.9
183.08041	0.3
185.06013	0.2
187.03838	0.3
187.07445	0.2
189.05374	0.8
191.03389	0.4
191.06990	0.4
191.10649	0.4
193.03159	0.3
193.04926	6.4
194.05243	0.3
195.02873	1.3
196.03195	1.2
196.05983	0.2
197.04427	59.7
198.04736	1.8
199.04836	0.2
201.05402	1.8
203.03352	0.8
203.06973	0.5
205.04996	0.4
205.08606	0.2
207.06393	0.2
211.05775	1.0
211.07559	0.5
215.06880	0.2
215.10655	0.2
217.04927	3.4
217.08521	0.5
219.06613	0.7
219.10124	2.2
221.04324	0.5
229.08604	1.1
229.12186	0.2
231.06604	0.3
233.08083	0.2
235.05942	1.6
243.10002	0.2
245.08054	5.3
246.08305	0.3
255.06421	0.3
256.06851	0.8
257.08038	100.0
258.08395	4.4
259.09149	0.3
267.10156	0.4
267.13730	0.5
269.08047	0.5
271.09613	5.3
272.09787	0.2
273.14807	0.5
275.12759	0.8
275.16187	0.4
281.08047	0.8
283.09436	0.4
285.11514	0.3
285.14774	2.5
295.09613	6.7
296.09937	0.5
297.11154	0.5
299.12558	0.4
301.14261	0.9
309.11172	0.4
311.12827	0.3
311.16238	0.2
313.17868	0.2
319.15335	0.3
323.12735	5.7
323.16568	0.3
324.13043	0.5
328.20221	0.2
329.17432	0.4
329.21082	0.7
337.14142	0.2
341.21091	3.8
361.17776	0.3
379.18973	27.5
380.19281	2.1
397.19812	4.9
397.27328	4.9
398.20053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2004
Annotation	Fukanemarin A
Peak:m/z	Relative Intensity
50.01582	0.3
51.02164	0.2
51.02373	0.5
52.03747	0.2
53.03938	2.5
53.88430	0.2
55.01860	4.0
55.05500	1.5
57.07061	0.9
65.03934	0.4
67.01852	0.4
67.05497	3.3
68.99780	0.9
69.03393	1.4
69.07059	10.1
69.95632	0.2
70.02774	0.2
70.03104	1.7
77.02290	0.2
77.03930	0.8
79.05466	1.1
81.03403	0.7
81.07033	1.8
83.01327	6.2
83.04968	0.5
83.08592	0.3
91.05463	1.1
93.03423	0.6
93.07028	2.8
95.04390	0.4
95.04958	7.9
95.08592	1.0
97.06512	0.4
99.00803	0.9
105.03378	49.5
105.07005	0.8
106.03709	1.1
107.01304	0.5
107.08563	2.6
109.02847	0.8
109.06496	0.4
109.10158	2.0
111.11725	0.8
117.07000	0.4
119.08538	0.4
121.06493	0.6
123.00739	0.6
123.04417	1.9
123.11690	2.9
125.05989	0.2
127.03899	0.3
127.07584	0.4
129.03349	1.4
131.08516	0.3
135.04364	0.4
135.08058	0.3
135.10709	0.2
135.11682	4.3
137.02327	4.8
137.05951	0.4
141.01810	5.0
149.06000	0.2
151.02647	0.5
151.03873	8.0
153.05475	1.3
155.03369	2.6
155.08507	0.5
160.49341	0.2
161.02315	0.4
161.05980	0.4
167.03369	2.7
169.04909	1.9
171.08011	0.4
175.07607	0.2
177.05470	0.5
177.09010	0.4
179.03369	100.0
180.03702	2.4
181.04919	0.6
183.08000	1.5
185.05963	2.0
189.09227	0.3
191.03371	3.5
191.06996	1.1
193.04958	3.9
195.02863	0.5
197.04430	48.6
198.04758	1.8
199.84319	0.2
201.05461	0.3
203.03378	1.2
203.07135	0.5
205.04945	0.6
205.08507	0.4
209.04419	0.6
211.05830	0.3
211.07555	0.8
217.04935	5.9
218.05392	0.5
219.06500	1.6
219.10178	0.7
221.04407	0.4
221.08006	0.5
231.06432	0.4
233.08037	2.0
235.06013	1.8
237.07318	0.3
239.07028	0.4
245.08075	3.3
246.08313	0.4
249.07713	0.3
251.09161	0.3
257.08054	52.8
258.08414	2.9
259.09619	0.3
269.08060	6.7
271.09686	1.4
275.12735	0.9
275.16211	0.4
277.14255	0.4
281.08063	2.0
283.09564	0.7
295.09616	8.8
296.10034	0.6
297.11172	1.3
299.12686	0.3
301.14294	2.0
309.11273	1.0
311.12744	6.4
312.13077	0.3
319.15466	2.2
323.12759	3.7
323.16367	0.3
337.14249	1.0
341.17340	0.8
345.20609	0.7
361.18042	0.6
379.19000	18.8
380.19098	1.6
397.20035	68.9
398.20377	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	397.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09405	0.1
51.43708	0.1
53.03931	0.4
55.01624	0.2
55.01860	1.8
55.05502	0.5
57.07062	0.5
59.73190	0.1
65.03918	0.3
67.05496	1.4
68.99765	0.9
69.03429	0.6
69.07054	0.8
70.83482	0.3
70.83825	0.2
77.03951	0.3
79.05474	0.8
81.03387	0.2
81.07040	1.8
83.01324	4.8
87.49675	0.1
91.05460	0.7
93.03394	0.6
93.06499	0.2
93.07033	2.5
95.04389	0.2
95.04951	2.3
95.08575	1.0
99.00804	0.4
105.03372	10.2
105.07005	0.5
106.03706	0.3
107.01260	0.5
107.08570	3.0
109.02854	0.6
109.06512	0.1
109.10141	0.8
119.08513	0.2
121.10091	0.2
121.85765	0.1
123.00780	0.3
123.04422	1.0
123.11684	5.8
124.11996	0.1
127.03895	0.4
129.03365	0.2
133.02856	0.2
133.10054	0.2
135.11670	4.9
136.12013	0.1
137.02318	4.4
141.01804	4.5
141.05434	0.1
151.03877	5.7
152.04245	0.2
153.05440	0.4
153.12642	0.2
155.03352	3.0
155.08424	0.1
161.02344	0.2
165.09093	0.3
167.03372	1.2
169.04938	1.1
177.05370	0.2
177.12628	0.2
179.03357	77.4
180.03680	2.5
180.05214	0.2
183.08023	0.2
191.03380	0.3
193.04912	0.6
195.02885	0.4
197.04413	50.6
198.04781	1.4
203.03377	0.4
203.07005	0.3
205.04939	0.2
211.07567	0.2
217.04927	1.1
219.06400	0.2
220.06073	0.1
221.04338	0.2
229.08549	0.2
235.05992	0.3
245.08061	2.2
257.08029	100.0
258.08383	5.4
258.11148	0.2
269.08063	0.4
271.09619	0.5
273.07578	0.1
275.16293	0.2
281.08105	0.2
283.09662	0.2
295.09671	0.9
297.11118	0.2
301.14368	0.2
302.13986	0.1
309.11237	0.1
311.12759	0.2
323.12723	0.6
323.15948	0.1
341.17157	0.2
341.21085	0.2
379.18964	11.5
380.19315	1.0
397.19952	7.2
397.27545	0.8
398.20273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2003
Annotation	Fukanemarin A
Peak:m/z	Relative Intensity
51.02365	0.3
53.03940	1.4
55.01853	1.5
55.05503	2.6
57.03419	0.4
57.07054	1.1
65.03938	0.8
67.05495	3.8
68.99780	0.7
69.03414	3.5
69.07056	9.8
71.04974	0.8
71.82027	0.4
77.03940	0.7
79.05473	2.9
81.03420	0.4
81.07041	6.9
83.01323	4.5
83.04955	0.4
83.08595	1.1
85.67656	0.2
91.05463	3.5
93.03358	0.4
93.07028	11.1
95.04955	6.6
95.08583	3.3
97.06518	0.8
97.10159	0.9
99.00779	0.4
105.03374	46.8
105.07005	2.4
106.03715	0.6
107.01318	0.5
107.04939	0.9
107.08572	8.8
109.02857	1.0
109.06504	0.9
109.10131	6.8
113.02334	0.3
115.05456	0.5
117.06956	0.5
119.04910	0.8
119.08545	1.0
121.06480	4.1
121.10125	1.5
122.10896	0.9
123.04401	2.7
123.11687	7.6
125.05985	0.8
127.03914	0.3
127.68945	0.3
129.03358	0.6
129.06949	0.5
131.08560	0.4
133.06429	0.5
133.10080	1.1
135.04376	2.3
135.08012	0.6
135.11668	11.9
136.11984	0.3
137.02316	5.8
137.05971	0.3
139.00771	0.2
141.01793	3.5
143.08563	0.4
145.06482	0.5
145.10078	0.4
147.04395	0.7
147.08067	0.3
147.11490	0.3
149.05954	1.1
149.09610	0.4
151.03879	9.4
153.05470	0.4
153.12735	2.0
155.03374	3.1
155.08537	0.5
157.10181	0.4
159.08022	0.4
159.11684	0.3
161.05922	1.9
161.09587	0.5
163.03880	7.2
163.07567	0.3
165.05486	1.2
165.06746	0.3
167.03386	5.3
169.04947	0.9
171.08029	0.4
173.06052	0.4
173.09657	0.3
175.03905	2.3
175.07532	1.3
176.04681	0.2
177.05423	3.5
177.09084	0.4
177.12726	0.9
179.03362	61.7
180.03709	1.6
181.04919	4.4
183.06509	0.3
183.08043	0.6
185.04433	0.5
185.05966	0.3
187.03877	2.3
187.07545	0.8
189.05443	4.6
191.03416	0.7
191.06990	2.3
193.04936	52.8
194.05251	1.7
197.04420	43.4
198.04752	1.2
199.07484	0.7
201.05435	13.3
201.09119	0.8
202.06071	0.3
203.03345	0.8
203.07010	3.3
204.04146	0.5
205.04933	1.5
205.08516	1.4
207.06435	1.4
207.08273	0.4
207.10083	1.8
211.02617	0.3
211.05949	5.5
211.07600	0.7
211.11128	0.4
215.07013	2.7
215.10643	0.3
217.04941	8.2
217.08351	2.0
218.05379	0.5
219.06891	1.5
219.10126	13.8
220.10422	0.4
221.04404	0.8
221.07983	1.5
222.05179	0.3
225.09067	0.8
227.07019	0.6
229.04865	0.8
229.08560	8.1
231.06493	1.1
231.10075	1.7
233.08037	0.6
235.05956	3.8
239.06979	0.3
239.14291	0.6
241.08441	0.4
243.10101	2.4
245.08051	20.7
245.11906	0.8
246.08282	0.9
249.12822	0.3
257.08041	58.5
258.08414	2.9
258.11041	0.3
258.12204	0.3
259.09555	0.4
259.13239	0.5
261.14731	0.4
263.09143	0.5
267.10175	1.1
267.13754	3.3
271.09607	35.5
272.09879	1.9
273.14850	2.8
275.16364	2.8
280.07062	0.5
281.07965	1.4
281.10770	0.3
283.09589	0.7
285.11395	1.1
285.14789	21.5
286.15082	0.5
287.10852	0.4
293.65521	0.3
295.09607	20.7
296.09909	1.2
297.11108	1.1
299.12698	2.1
299.15881	0.4
301.14270	2.8
309.11282	1.4
311.12662	0.5
313.17917	0.8
319.15176	0.4
323.12720	30.7
324.13037	2.1
327.19513	0.4
328.20181	1.6
329.20963	1.6
337.14163	1.0
341.21075	28.0
342.21405	1.1
379.18976	100.0
380.19345	8.2
397.19958	10.3
397.27277	35.9
398.20282	1.0
398.27853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2004
Annotation	Fukanefurochromone B
Peak:m/z	Relative Intensity
53.03934	0.2
55.01606	0.1
55.01860	1.5
55.05499	0.2
57.03421	0.1
57.07068	0.2
61.86510	0.1
63.67612	0.1
65.03908	0.4
67.05493	1.1
68.99774	0.7
69.03416	0.4
69.07056	0.6
77.03551	0.1
77.03961	0.2
79.01797	0.1
79.05476	0.4
81.03397	0.3
81.07043	1.3
83.01326	4.1
83.04993	0.1
91.05461	0.4
93.03384	0.4
93.07034	1.4
95.04955	1.8
95.08593	0.6
99.00810	0.4
103.38419	0.1
105.03378	4.0
105.07001	0.2
106.03667	0.1
107.01300	0.3
107.08575	1.9
109.02834	0.5
109.06512	0.1
109.10134	0.6
119.08562	0.2
121.10149	0.1
123.00810	0.3
123.04420	0.8
123.11691	5.0
124.11951	0.1
127.03895	0.3
129.03404	0.2
133.02826	0.2
133.10130	0.1
135.04387	0.1
135.11676	2.8
137.02312	3.9
138.02643	0.2
141.01805	4.8
141.05435	0.1
142.02185	0.1
143.08606	0.1
147.11754	0.1
151.03888	5.2
152.04253	0.1
153.05437	0.1
155.03368	2.6
161.02327	0.1
161.05835	0.1
167.03389	0.7
169.04944	1.0
179.03366	73.2
180.03712	2.4
183.08162	0.1
185.05922	0.1
193.04916	0.4
195.02867	0.2
197.04425	49.8
198.04739	1.7
199.04800	0.1
203.03395	0.3
205.04893	0.1
211.07506	0.4
217.04935	0.4
220.05981	0.1
221.04379	0.2
231.06453	0.1
234.06564	0.1
235.05986	0.2
245.04358	0.2
245.08055	1.4
245.22327	0.1
246.08308	0.1
254.64806	0.1
255.06580	0.1
257.08044	100.0
258.08395	5.3
269.04376	0.7
271.09515	0.3
273.03857	1.1
277.08450	0.2
281.08081	0.3
283.09570	0.1
285.03888	0.5
295.09607	0.5
301.14233	0.1
305.08069	0.6
307.05914	0.1
323.09152	2.0
323.12701	0.3
324.09436	0.3
329.10028	0.7
339.16141	0.1
341.10226	0.8
379.18976	7.3
380.19305	0.7
397.20087	2.2
398.20605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1641
Annotation	Isonormangostin
Peak:m/z	Relative Intensity
50.23443	0.3
52.66094	0.3
55.05487	0.4
56.48901	0.3
56.96532	0.3
57.07035	1.2
67.05504	1.5
69.03368	0.3
69.07039	1.1
70.70429	1.2
71.04952	0.4
79.05437	0.7
81.07047	1.7
83.04964	0.3
83.08597	0.3
85.02889	0.5
85.06529	0.5
91.05450	1.4
93.07021	0.9
95.04916	0.3
95.08580	1.0
97.02825	0.4
105.07027	1.6
107.08546	1.1
109.10085	1.1
117.06990	0.5
119.08556	0.7
121.10107	0.9
123.08150	0.3
123.11704	0.4
131.08527	0.6
133.10068	1.1
135.08087	0.4
145.10092	1.0
157.10165	0.3
159.11659	0.4
161.05836	0.3
171.08092	0.5
173.09616	2.7
183.11601	0.4
201.05443	5.0
203.06999	0.4
205.08475	0.6
211.03981	0.4
213.05693	0.3
221.08044	0.5
221.15353	1.1
223.09662	0.7
229.04942	20.0
230.05290	0.6
240.77226	0.3
241.04973	0.5
256.03677	0.5
257.04425	26.5
258.04962	1.2
271.05719	0.4
273.03879	0.5
277.14285	1.2
285.03903	100.0
286.04300	4.3
294.05179	0.6
295.20102	0.6
297.03940	0.4
299.05515	3.0
308.06769	0.9
311.16547	0.4
313.10718	0.8
323.08920	1.6
323.16183	0.4
329.17590	0.7
341.10159	43.9
342.10587	2.0
379.22668	0.6
397.16418	76.8
398.16663	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	397.164
Annotation	Montrouxanthone
Peak:m/z	Relative Intensity
55.05507	2.7
57.03412	0.6
57.07073	8.4
59.74237	0.3
61.27864	0.4
67.05496	2.6
68.99780	0.4
69.07061	14.3
71.08590	0.4
77.03963	0.4
79.05469	1.5
81.07050	3.8
82.55545	0.4
83.01334	0.5
83.08583	1.4
85.06541	1.1
86.09646	0.4
91.05458	1.1
93.07009	2.2
95.04960	0.8
95.08580	1.6
97.10159	0.7
105.03380	1.2
105.07008	1.1
105.55394	0.3
107.08559	2.2
109.10122	1.5
119.08550	1.4
121.10113	0.9
123.11707	3.0
124.11971	0.4
127.07516	0.9
131.08543	0.8
133.06493	0.5
133.10081	1.7
135.08011	0.5
135.11708	2.3
137.02287	0.6
137.86070	0.4
145.10095	0.7
147.08005	0.3
147.11726	0.8
149.06018	0.4
151.07553	0.3
157.10121	0.5
159.08084	0.4
160.09938	0.4
161.09496	0.6
161.13226	0.3
163.11215	0.4
167.08116	0.4
171.08008	0.8
171.11644	0.4
173.09526	0.8
175.11157	0.3
177.09131	0.4
179.03387	7.0
179.10712	0.8
184.07268	0.9
187.07494	0.7
189.05490	0.9
189.09061	0.6
191.07024	0.7
191.10632	5.8
193.04919	0.5
197.04440	4.4
201.09143	1.4
203.10577	0.5
207.06511	1.3
215.10629	0.6
217.04938	4.5
217.12221	0.6
219.10239	0.7
228.11403	0.5
229.04948	0.8
229.12291	0.5
231.06509	0.4
241.05075	0.5
245.04440	18.3
246.04845	1.0
253.04982	0.4
257.04434	2.8
257.08072	7.4
257.15341	1.3
259.06079	0.9
261.03888	0.7
267.06506	0.9
269.04398	1.4
271.09842	0.4
273.03906	100.0
274.04236	4.8
275.05389	0.4
275.13226	0.6
275.16360	5.5
281.07993	0.9
285.03943	1.5
287.05481	8.6
288.05954	0.6
295.05936	0.7
295.09467	0.7
299.05417	1.3
301.07010	6.2
309.07526	1.2
311.20032	0.6
313.07068	1.2
315.08600	2.6
323.09064	1.5
327.08643	1.9
327.19470	0.5
329.10193	9.1
329.14096	0.6
329.17557	1.3
330.10571	0.5
341.10178	6.6
379.14981	1.0
379.19046	1.7
379.26334	0.7
397.16397	50.8
397.27521	7.5
398.16827	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	397.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49922	0.3
52.13587	0.3
54.45895	0.3
55.67543	0.3
68.99792	0.7
69.07062	13.7
69.72302	2.3
98.20670	0.4
102.44968	0.3
107.58203	0.2
127.37676	0.2
153.99251	0.3
171.04382	0.3
191.06935	0.3
217.04930	5.9
231.02832	0.7
245.04436	21.6
246.04686	0.4
257.04248	0.3
261.03909	0.8
265.08597	0.3
273.03903	100.0
274.04251	3.7
282.05295	0.4
285.03906	0.9
287.05508	2.5
290.26016	0.3
296.06903	0.7
309.07462	0.3
311.09024	0.6
327.08618	0.8
329.10156	71.5
330.10553	3.9
341.10153	0.9
385.47061	0.3
397.16467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1489
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
57.03407	0.6
57.07066	1.6
57.07282	0.3
63.83014	0.3
68.99754	0.3
69.03398	0.6
70.06539	0.3
73.02900	0.5
79.01823	1.7
81.03394	1.0
81.07021	0.8
83.64322	0.3
85.02891	1.8
88.28462	0.3
91.03845	0.3
91.05447	0.5
93.07013	0.4
95.04926	0.3
97.02878	0.6
98.09675	0.6
103.03881	0.3
109.02827	1.1
109.06470	0.5
117.45878	0.3
123.04400	0.5
125.09629	0.4
127.03872	0.6
135.08038	0.4
135.12383	0.3
137.06023	0.3
137.09570	0.3
145.02824	0.4
147.04372	1.0
147.08023	0.3
151.03897	0.4
153.09103	0.6
154.09398	1.0
161.05994	0.4
163.03973	1.4
163.07492	0.3
165.01776	0.8
165.05458	0.6
167.07030	0.8
175.03903	0.5
177.05414	1.3
181.08560	0.3
182.08917	0.5
183.02876	0.4
184.04999	0.4
184.69263	0.3
187.03905	0.4
189.05472	0.8
191.03377	0.5
191.06833	0.3
191.10611	0.5
192.04115	0.4
193.04877	0.5
195.02876	0.4
199.09564	0.8
200.09969	1.2
203.06952	0.4
205.04927	1.8
206.05785	1.6
207.10149	1.7
216.07796	0.3
217.04942	6.2
218.05711	6.6
219.02959	0.6
219.06488	9.3
219.09946	0.6
220.07277	18.5
221.04396	0.9
221.07622	1.1
223.09589	1.9
229.04967	1.1
229.08714	0.3
230.05704	1.3
231.06467	2.6
232.07271	3.4
233.04465	0.6
233.07794	0.4
233.97334	0.3
235.05968	0.6
235.09579	3.0
241.04945	1.2
243.02866	1.3
243.06514	2.0
244.07338	1.6
245.07979	0.6
247.06026	4.9
247.09627	80.2
247.75797	0.4
248.06772	10.5
248.10291	11.5
249.07254	1.0
249.10986	1.3
257.08014	3.4
258.06119	0.4
258.08813	3.9
259.06027	4.8
259.09628	12.6
260.06628	1.3
260.09787	0.7
261.03992	2.1
261.11182	14.9
262.08401	0.4
262.11404	0.8
269.11682	0.5
271.06110	2.0
271.09634	1.3
272.06943	2.0
272.10095	2.0
273.11166	2.6
275.09116	3.8
276.09634	0.4
277.10669	90.2
278.11032	5.3
285.11145	0.6
286.12088	0.4
287.09213	2.1
287.12698	17.4
288.10077	0.4
288.13184	1.0
289.10641	4.8
290.11053	0.5
291.12210	2.1
301.10657	23.3
302.10995	1.6
303.12244	0.3
305.10172	0.9
307.11700	5.7
313.10562	1.7
314.11380	0.3
315.12225	7.6
316.12531	0.5
319.11798	2.8
325.10638	0.5
331.11728	19.9
332.12091	1.5
343.11716	11.5
344.12091	0.6
361.12772	32.0
362.13190	1.8
379.13831	48.5
380.14267	3.4
397.14886	100.0
398.15167	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	397.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00495	0.1
53.56582	0.1
55.27990	0.1
57.03428	0.1
68.99825	0.1
69.07072	0.1
69.79366	0.2
69.79774	0.5
75.18425	0.1
81.07033	0.1
85.02876	0.2
97.02874	0.1
107.08607	0.1
118.00126	0.1
121.10005	0.1
123.04403	0.2
147.24263	0.1
151.07516	0.1
152.11598	0.1
153.01767	0.1
174.90305	0.1
179.03407	0.4
190.92720	0.1
193.05003	0.2
202.39944	0.1
205.04930	7.1
206.05714	14.1
207.06221	0.7
219.06490	0.3
220.07300	1.1
235.09616	100.0
236.09952	3.5
247.09627	0.2
397.14951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56747	0.7
57.07055	1.1
69.69288	5.0
69.69688	1.5
71.18035	0.7
73.07374	0.6
74.23242	0.7
79.01820	2.0
81.03396	0.9
85.01791	0.7
87.63309	0.7
109.02840	0.9
143.88548	0.7
146.36253	0.7
147.04366	0.9
161.05969	0.7
165.01758	1.2
165.05437	2.3
171.02919	0.6
177.01744	0.7
177.05522	0.7
179.10857	0.8
180.77414	0.6
189.05411	1.5
192.04033	1.0
193.04730	1.2
204.04143	2.3
205.04898	10.4
206.05710	25.2
207.06255	1.8
207.10136	1.5
216.04138	1.0
216.08044	0.8
217.04959	5.9
218.05688	1.8
219.02867	1.6
219.06488	1.2
220.07207	0.9
223.09624	2.0
229.04945	1.7
230.05728	2.1
231.06522	2.6
234.05118	4.5
235.05957	10.7
235.09607	1.4
236.06287	0.9
243.02911	1.2
244.07211	3.3
245.08057	2.7
247.09625	78.8
248.10321	10.3
259.06079	4.3
259.09631	11.1
261.03851	2.3
261.11212	13.2
262.11511	0.8
269.78137	0.7
271.09589	1.4
272.10284	1.8
273.11151	3.4
275.09055	3.2
277.10672	91.2
278.10904	3.5
285.11075	0.8
287.09439	1.7
287.12723	18.2
289.10626	4.7
291.12225	1.2
301.10645	20.2
302.11050	1.2
302.29178	0.8
307.11636	4.5
313.10526	1.1
315.12204	6.5
319.11792	1.9
331.11691	19.7
332.12177	1.0
343.11688	12.7
361.12747	29.5
362.13080	1.3
379.13831	43.5
380.14206	3.7
397.14893	100.0
398.15274	7.1
398.24341	0.7
417.18484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1489
Annotation	Spicatolide A
Peak:m/z	Relative Intensity
55.84092	1.0
57.07062	2.0
60.68298	1.0
69.73807	9.7
69.74148	1.4
79.01826	1.4
107.33803	1.0
137.05969	1.6
140.62692	1.3
189.05479	1.7
205.04851	1.6
206.05746	1.5
207.10197	2.1
216.07755	1.2
217.04938	6.7
218.05684	6.6
219.02971	1.4
219.06473	9.9
220.07280	21.0
223.09891	1.5
231.06453	2.5
232.07309	3.0
235.09619	1.9
243.02768	1.7
243.06517	1.8
244.07265	1.5
245.08305	1.4
247.06102	5.4
247.09636	77.3
248.06802	11.3
248.10359	12.8
257.08047	3.1
258.08884	3.0
259.06100	4.1
259.09631	12.2
261.11203	15.6
272.06631	2.1
272.10291	1.4
273.11127	2.6
275.09149	2.8
277.10663	93.6
278.11002	3.0
287.09396	2.4
287.12680	15.4
289.10657	4.9
296.18716	1.3
301.10669	20.0
307.11746	4.5
313.10779	1.8
315.12216	7.4
331.11710	18.1
343.11768	10.1
361.12766	26.9
362.13562	1.7
379.13843	47.0
380.14417	2.8
397.14893	100.0
398.15143	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	397.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	16.2
57.03425	2.0
60.66063	1.1
61.02908	2.6
69.03427	5.1
70.17871	5.0
71.04974	1.8
71.61909	0.9
73.02896	3.3
81.03408	1.7
84.40982	1.0
84.96029	3.9
85.02902	12.5
86.06034	1.0
86.09702	1.6
87.26709	0.9
89.03889	1.1
91.03937	1.4
94.96474	0.8
97.02888	5.7
98.20724	1.1
98.97569	44.5
99.04432	2.3
100.99128	1.0
109.02873	1.6
110.97545	9.4
112.67702	1.1
112.99120	49.6
113.03461	1.1
116.98608	21.9
117.03384	1.5
119.00192	2.1
119.01876	2.2
120.56969	0.9
124.99117	1.5
127.00626	1.6
127.03907	4.6
128.98579	14.3
129.77542	0.9
131.00159	80.2
133.01712	1.0
133.03357	1.2
134.99628	4.9
135.04384	2.5
140.02354	1.0
143.00113	4.7
145.01697	3.3
145.02748	1.5
145.04919	3.1
146.99631	8.0
148.03757	1.6
149.01198	45.5
154.01816	1.5
155.00168	1.6
158.01309	1.0
158.99628	8.4
159.04971	1.4
161.01195	7.4
161.03050	1.4
162.99080	1.3
163.02718	4.1
163.03902	11.7
165.00662	2.4
167.02267	3.4
170.99614	5.5
171.04951	1.3
173.01224	12.0
173.02776	1.5
175.02739	6.2
177.00687	10.6
178.04848	1.5
182.03357	1.3
185.01193	1.7
187.02827	2.4
189.00702	6.2
191.02258	12.1
191.03874	2.4
193.03818	15.8
201.00639	5.2
203.02249	1.6
205.03812	3.9
209.01233	3.5
211.04874	10.7
213.03416	1.7
215.02328	1.7
219.01736	41.4
220.02081	1.2
220.06088	1.6
221.03207	1.2
221.05310	1.1
222.03815	2.6
223.04617	1.2
227.02237	2.4
233.03281	3.1
235.04822	2.2
237.02795	76.0
238.03250	1.7
250.06960	1.4
251.04369	2.6
255.03882	4.9
260.04486	1.8
263.04239	5.4
275.04361	13.0
277.05994	3.0
281.05411	6.9
285.05283	1.4
293.05399	17.6
294.06000	8.7
294.56305	1.8
295.06894	2.5
319.07120	2.2
333.01254	1.2
337.07996	100.0
338.08417	2.4
355.09061	96.3
356.09494	1.4
378.10687	3.8
397.10144	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	396.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05495	3.8
56.95936	0.9
57.03413	2.1
59.04987	1.8
61.02905	1.2
69.03420	3.7
70.02931	3.9
70.06616	1.4
71.08614	1.7
71.79050	1.4
72.04502	7.1
73.02911	6.0
76.70956	1.0
79.05470	3.3
81.03384	2.5
81.07037	8.9
83.08601	2.6
84.08146	1.3
85.02896	11.4
86.09676	2.2
87.40664	1.0
90.05543	65.0
91.05453	2.4
93.07018	4.7
95.04942	1.3
95.08578	1.9
97.02857	4.1
97.06512	5.3
98.02415	5.8
99.04468	1.6
99.08070	7.5
101.09660	1.2
107.04931	2.5
107.08556	3.8
109.06503	13.7
109.10104	1.3
111.08101	1.7
116.03455	8.0
117.09068	1.6
119.48842	1.0
121.06539	1.5
123.04411	1.8
125.05952	1.3
125.09584	2.3
127.03905	2.5
127.07530	2.3
135.04381	1.2
135.08012	5.2
136.07565	1.3
137.02315	1.8
138.02696	1.6
138.09126	11.1
139.07523	1.5
145.04922	2.0
147.04355	1.5
151.03854	1.7
153.01816	10.4
153.09131	6.3
154.02139	6.3
156.10143	2.8
157.08626	7.0
159.04485	1.1
163.03914	5.0
163.07510	5.7
165.05508	1.1
171.10132	3.6
176.07095	3.4
180.10101	2.3
181.08591	6.3
188.12927	1.1
198.11259	19.3
199.09613	14.4
204.03726	1.3
204.06493	2.2
216.12279	18.5
217.10733	9.7
218.10397	1.5
222.07579	1.8
234.13342	100.0
235.05998	5.3
235.13536	2.1
247.09654	1.2
263.05457	3.5
264.05789	9.1
266.09665	1.0
277.10632	1.6
283.14804	1.2
331.11792	1.1
379.13757	1.7
386.19568	1.5
396.12408	1.9
397.14584	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	396.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05499	2.9
57.03419	2.3
61.02913	4.0
62.06076	13.2
64.92995	1.6
67.05485	3.3
67.57977	1.4
69.03419	4.3
69.26260	1.7
71.00538	3.2
71.04974	3.4
73.02901	4.3
79.05482	14.0
81.03406	4.9
81.07051	3.5
83.04963	2.0
83.08588	1.7
85.02903	15.7
85.06563	2.2
91.05478	13.3
93.07031	51.4
95.04960	2.6
95.08594	2.7
97.02888	2.3
97.06535	4.3
99.04485	1.8
102.09177	11.9
107.04952	5.8
107.08585	19.7
109.06492	2.8
109.10186	1.7
111.04405	1.6
111.08054	4.2
113.09646	3.2
117.07007	10.1
119.08572	3.2
120.08143	2.7
121.06507	12.2
121.10137	3.2
125.05974	2.4
125.09608	14.4
127.03904	4.5
135.08043	46.6
137.05949	2.9
139.07491	8.6
143.04890	2.7
145.04930	3.2
145.06508	2.5
149.06003	2.5
153.09097	43.2
155.07031	6.4
157.08624	5.6
163.07530	29.8
181.08583	31.5
181.12206	3.2
191.03401	10.1
199.09631	100.0
199.13342	5.7
207.06525	2.5
215.03406	3.6
217.04971	7.0
217.10674	37.6
217.14032	1.7
218.05844	1.7
219.06552	3.3
220.07280	9.2
223.09834	2.1
235.06052	2.0
247.05928	4.2
247.09634	35.0
248.06900	4.5
248.10512	3.2
257.08020	2.0
257.35120	1.6
258.07712	2.0
259.05923	2.0
259.09695	4.4
261.11224	8.0
271.06201	1.7
275.09271	2.2
277.10669	45.0
287.12701	6.0
289.10889	3.4
301.10602	9.9
304.08011	4.5
304.62341	1.8
307.11731	1.8
315.12231	3.2
316.15686	1.9
330.07040	2.0
331.11713	8.7
343.11710	6.1
360.14429	1.9
361.12698	12.2
367.92932	1.6
378.15485	17.1
379.13840	22.7
380.10986	1.7
396.16422	2.8
397.09909	2.1
397.14938	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	395.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53480	0.8
55.05508	8.2
55.31348	0.8
57.07059	2.3
63.48822	0.9
67.05504	5.0
69.03409	2.0
69.07054	28.0
69.56661	9.2
71.04986	6.4
79.05482	3.2
81.07042	14.2
83.04964	2.6
83.08603	6.7
83.68934	1.1
91.05445	3.7
92.27125	0.9
93.07016	5.6
95.04935	2.7
95.08582	9.1
97.10136	5.3
105.07014	6.7
107.08575	6.2
109.06488	2.3
109.10127	4.0
113.05986	3.4
117.06944	1.4
119.08531	5.6
121.06426	1.3
121.10123	8.5
123.04408	2.8
123.11688	6.4
129.06999	2.1
131.08534	3.4
133.06493	1.7
133.10063	6.2
135.11658	3.3
137.05943	1.1
137.13208	1.5
140.74742	1.0
141.05438	1.7
142.07767	2.2
143.08549	4.5
145.10104	7.7
147.08017	2.1
147.11664	3.3
149.13203	1.4
151.11145	1.5
152.06096	0.9
155.08519	3.8
156.09357	1.5
157.10136	8.5
159.08022	13.4
159.11662	8.3
161.09618	6.4
161.13266	1.9
163.07596	1.3
165.05580	1.5
165.07027	1.2
167.08519	1.4
168.09270	1.4
169.10069	4.4
171.08052	2.0
171.11667	3.8
173.09550	4.5
173.13185	3.3
175.07616	2.1
175.11230	1.2
179.08537	2.1
179.10661	4.3
180.09302	1.7
181.10054	3.4
183.11639	5.5
185.09604	7.7
185.13206	2.8
187.07578	1.9
187.11185	5.8
187.14688	5.4
189.09076	7.2
193.10059	2.9
194.10857	2.8
195.02919	1.4
195.08105	2.1
195.11649	3.4
196.08865	2.4
197.09570	3.4
197.13248	4.2
199.11157	4.2
199.14735	5.1
200.08310	1.2
201.09033	3.6
201.12732	3.0
201.16385	1.1
203.10783	1.0
207.10110	6.6
207.11765	3.1
208.12331	1.6
209.09573	2.7
209.13220	3.7
210.10324	6.3
211.11174	7.3
211.14734	1.6
212.11935	1.5
213.09062	12.3
213.12724	3.9
213.16333	3.1
215.10728	2.1
215.14380	1.2
217.08380	1.3
217.10339	1.2
219.11710	1.8
221.09628	1.6
221.13272	2.0
221.95418	0.9
222.10304	1.7
223.11282	2.0
223.14842	3.7
224.06068	0.9
224.11974	1.2
225.09064	4.1
225.12689	5.0
225.16350	2.0
226.09784	1.9
226.13347	1.2
227.10635	3.7
227.14224	6.9
229.12157	5.9
235.11189	2.5
236.12088	1.5
237.08977	1.4
237.12787	3.8
238.10008	1.9
239.10678	5.3
239.14203	4.5
240.11337	4.4
241.12242	3.2
241.15854	3.1
243.13905	1.0
247.11102	1.3
247.13208	1.9
248.15633	1.3
249.12718	3.4
250.13387	1.2
251.10500	2.5
251.14204	5.5
252.11392	1.7
253.12190	14.4
253.15836	3.4
254.12946	3.3
255.13770	18.8
255.21025	2.1
257.11682	2.0
257.15393	3.2
259.13193	1.4
263.14401	2.5
263.17859	1.4
264.11386	2.0
265.12244	3.6
265.15866	3.7
265.19528	2.8
266.12955	1.7
267.13788	15.1
267.17392	2.7
269.12338	2.3
269.15329	37.4
270.15561	1.9
271.13254	26.4
272.13776	1.4
273.14789	10.7
275.13971	1.1
277.12271	0.9
277.15860	2.2
278.13019	1.6
279.13843	5.2
279.17279	1.7
279.21033	2.1
280.14417	1.4
281.15353	6.4
281.18973	2.8
283.13342	3.4
283.17001	1.1
283.20493	3.7
284.14368	1.1
285.14792	5.8
287.16431	2.0
289.16486	1.3
291.17511	2.3
293.15338	4.1
293.18851	1.8
294.16061	1.8
295.16751	2.0
297.14871	4.8
297.18021	1.1
299.16443	13.0
299.19937	1.7
303.17432	1.6
305.18832	1.6
307.16870	3.4
307.20499	7.0
308.17630	1.3
309.18417	9.8
311.16385	2.4
311.19925	1.1
313.17929	4.0
317.18921	1.5
319.16577	1.9
321.18527	5.5
323.19931	10.1
324.20624	1.8
325.17871	7.5
325.21619	14.6
326.18686	3.3
327.19492	41.8
328.19943	1.3
334.19171	1.9
335.19864	2.6
339.19550	15.8
340.20016	1.5
349.25235	1.5
352.20221	2.0
353.20987	4.7
359.23721	3.5
367.26468	1.9
377.24664	19.2
378.24954	1.7
395.25757	100.0
396.26273	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2425
Annotation	Albopilosin B
Peak:m/z	Relative Intensity
55.01867	0.3
55.05508	1.4
57.03436	1.8
57.07071	3.5
67.05497	2.3
69.03435	0.7
69.07043	1.4
71.04979	0.3
71.81757	0.3
79.05478	1.5
81.07046	3.3
82.26019	0.2
83.01327	2.4
83.04958	0.5
83.08619	0.5
85.02892	0.4
85.06541	2.6
87.73242	0.3
91.05464	2.2
93.07030	10.9
95.04948	1.0
95.08615	1.2
105.03390	0.6
105.07011	1.0
107.08570	6.5
109.06491	1.0
109.10139	3.1
117.06992	0.4
118.00107	0.2
119.08574	0.9
121.06490	2.3
121.10114	1.1
123.04411	0.4
123.08054	0.4
123.11715	0.9
127.07541	1.5
131.08575	0.9
133.06421	0.3
133.10065	0.8
135.08043	2.5
135.11664	7.9
137.05951	1.0
137.09654	0.4
138.45743	0.3
139.03889	0.6
141.05428	0.5
145.06465	0.4
145.10068	1.6
147.08034	0.7
149.05969	0.8
149.09570	1.9
151.07521	0.3
153.05435	1.7
155.08516	0.4
157.10072	0.3
158.07237	0.3
159.08035	0.7
159.11714	0.6
161.05981	0.7
161.09631	0.4
162.06686	0.5
163.07539	4.5
163.11192	1.3
165.05478	0.5
165.09119	0.7
167.07018	0.8
169.08336	0.3
173.09663	1.4
173.10912	0.2
175.07492	0.6
176.08324	1.2
177.05489	0.6
177.09087	5.4
177.12698	1.3
179.07040	0.6
179.10635	0.6
181.08571	0.5
183.10136	0.4
187.07527	0.5
187.11194	1.1
189.09093	0.8
190.06134	0.3
190.09825	0.4
191.07034	3.0
191.10635	5.4
192.07709	0.3
192.11044	0.3
193.04822	0.3
195.02986	0.2
195.10132	0.7
196.67030	0.2
197.09761	0.3
199.07610	0.3
201.09052	1.9
201.12663	0.6
203.06967	0.6
203.10663	0.3
204.07838	1.2
205.08589	4.0
205.12183	2.3
206.09360	1.8
207.10117	2.8
213.09258	0.3
215.07051	0.4
215.10641	2.2
215.14377	0.3
217.08717	0.6
218.09367	0.4
219.06552	2.4
219.10126	27.2
220.10497	0.9
225.09120	0.4
225.11145	3.4
228.07845	0.7
229.08626	0.5
229.12231	1.3
231.10156	0.7
233.11691	16.1
234.12094	0.6
237.11186	21.2
238.11578	0.8
239.10591	0.3
242.09332	0.7
243.10095	1.0
244.10509	0.3
245.11839	0.4
246.08932	0.3
247.13347	0.8
251.12747	15.3
252.13124	0.8
256.10739	0.3
257.11697	7.2
257.14941	0.5
257.15424	0.6
258.12085	0.4
259.13303	1.0
261.11206	0.3
265.14172	0.3
267.13705	0.3
269.11835	0.4
270.12604	0.3
271.13278	0.7
273.14789	0.6
274.78497	0.3
275.12775	13.7
275.16284	1.8
276.13138	0.8
277.14282	0.5
279.15884	0.3
285.14828	5.3
286.15240	0.5
289.14313	0.8
299.16309	0.4
303.15869	11.6
304.16159	0.9
327.19534	0.3
341.21051	6.8
342.21652	0.3
359.22116	100.0
360.22476	7.7
360.25912	0.2
377.18042	0.6
377.23196	3.3
395.25693	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
55.05494	0.2
57.03172	0.2
57.03427	2.8
57.07068	1.1
61.35008	0.1
67.05479	0.6
69.03408	0.4
69.07042	0.4
70.20572	0.5
71.04973	0.2
79.05475	0.7
81.03397	0.2
81.07038	1.9
83.00862	0.2
83.01324	3.1
83.04971	0.2
84.93529	0.1
85.02879	0.4
85.06516	0.3
91.05453	1.0
93.06521	0.2
93.07034	2.2
95.04943	0.3
95.08567	0.6
105.07002	1.2
107.04916	0.2
107.08577	3.0
109.02833	0.2
109.06496	0.6
109.10126	0.5
111.04411	0.1
115.05408	0.2
117.07008	0.8
119.08560	0.6
121.02796	0.2
121.06471	0.8
121.10104	0.7
123.04420	0.2
123.08047	0.3
123.11684	5.6
124.12031	0.2
127.03863	0.2
127.07542	0.2
130.07770	0.4
131.08536	1.2
133.06442	0.2
133.10132	0.8
135.08034	9.0
135.11673	4.2
136.08345	0.3
136.12033	0.2
137.05949	0.4
137.09552	0.3
139.03880	0.8
139.43524	0.1
143.08556	0.2
145.06432	0.4
145.10094	2.9
147.04390	0.2
147.08014	0.2
147.11647	0.2
148.08723	0.1
149.05962	1.2
149.09596	1.9
149.93060	0.1
151.11159	0.2
153.05453	2.5
155.08533	0.8
156.31621	0.1
158.07253	0.5
159.07990	0.6
161.05885	0.7
162.06770	1.3
163.07510	4.2
163.11177	1.8
165.05446	1.2
165.09113	0.2
173.09593	3.1
174.10046	0.1
175.07529	0.3
176.08313	2.0
177.05623	1.0
177.09081	11.1
178.09416	0.4
181.04991	0.2
181.08589	0.2
183.08075	0.2
186.06703	0.2
190.06171	0.8
191.06976	0.6
191.10638	7.3
192.10995	0.2
195.10056	0.2
201.07188	0.3
201.09068	4.2
203.10611	0.1
204.07780	1.2
205.08344	0.1
207.10141	0.4
217.08673	0.2
219.10129	68.7
220.10461	2.3
225.11162	1.3
237.11171	100.0
238.11519	3.5
257.11685	0.3
275.12970	0.2
275.16351	0.2
303.15927	0.1
319.19147	0.2
323.20157	0.2
341.21008	0.7
359.22101	22.4
360.22437	1.3
377.23175	5.4
378.23587	0.3
395.24380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2425
Annotation	Albopilosin B
Peak:m/z	Relative Intensity
51.30162	0.5
53.03929	0.5
55.05500	0.9
55.76385	0.5
57.03419	1.2
57.07071	3.7
63.90924	0.5
64.82880	0.5
67.05494	4.0
69.03407	1.1
69.07056	1.6
69.64751	4.7
79.05488	2.2
81.07056	3.7
83.01341	1.4
83.04971	1.0
85.06538	2.4
89.06055	0.8
91.05472	2.4
93.07031	11.4
95.04973	1.6
95.08604	2.7
105.03395	0.9
105.07021	2.6
107.04949	0.6
107.08586	6.4
109.06503	1.0
109.10155	3.8
117.06975	0.6
119.08569	1.4
121.06492	1.9
121.10114	1.5
123.11684	0.8
127.07558	1.3
131.08565	1.4
133.10094	1.6
135.08061	1.8
135.11682	6.9
137.05966	0.9
141.60188	0.5
143.08539	0.7
145.10097	2.5
147.08031	0.6
149.05968	0.9
149.09645	0.7
153.05447	1.4
155.08539	0.8
159.08008	1.0
159.11681	1.0
161.05981	1.0
162.06694	0.8
163.07547	4.6
163.11256	0.8
167.07036	0.8
173.09634	2.3
173.13130	0.5
175.07579	0.9
176.08342	1.0
177.05458	3.3
177.09084	5.9
177.12694	1.3
179.03387	0.7
181.08557	0.5
186.33250	0.6
187.11201	1.0
191.07005	3.9
191.10574	3.0
195.06519	1.3
197.04358	0.6
201.09070	1.3
203.07002	0.9
204.07884	1.8
205.08595	4.4
205.12300	1.4
206.09340	0.9
207.10167	1.5
209.08061	1.0
215.10625	2.1
217.08601	1.1
219.06537	3.0
219.10150	25.8
220.10486	0.9
223.09575	0.8
225.11157	3.8
229.12236	0.7
231.10144	0.6
233.11711	15.3
235.09637	0.9
237.11191	25.9
238.11588	0.8
239.10675	0.6
242.09349	1.2
243.10054	1.2
243.13853	0.7
247.13289	1.2
251.12779	20.6
252.13167	0.8
257.11737	6.1
261.11218	0.6
271.13269	0.7
275.12756	15.1
275.15948	0.9
276.12985	1.2
279.15869	0.7
285.14841	4.7
295.70059	0.6
299.16360	1.0
303.15900	11.4
303.84543	0.6
341.21140	4.4
343.18988	1.5
359.22137	100.0
360.22510	6.4
361.19852	0.6
377.13739	0.6
377.23425	3.0
395.14688	0.9
395.25858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.8
64.02264	0.4
67.05504	0.5
69.03455	0.6
69.73476	3.0
79.05494	0.5
81.07050	0.8
83.01339	2.4
93.07008	2.0
93.31045	0.4
98.20817	0.6
107.08584	2.7
109.06542	0.6
109.10139	0.5
117.07005	0.5
121.06553	0.4
121.10094	0.6
123.11683	1.7
125.47482	0.4
129.44583	0.4
131.08531	0.7
133.09988	0.5
135.08026	2.6
135.11662	2.9
139.03909	0.9
145.10106	1.7
149.05940	1.1
149.09586	1.8
151.12485	0.4
153.05441	0.5
159.08002	0.6
162.06740	1.0
163.07516	2.9
163.11179	1.0
165.05473	0.5
173.09547	2.3
176.08307	1.5
177.05434	3.9
177.09073	8.6
183.08095	0.4
191.10628	3.6
195.06476	0.4
201.09074	2.9
204.07805	1.7
219.10138	54.4
220.10532	2.4
225.11194	1.0
230.53326	0.4
237.11185	100.0
238.11508	3.4
304.56369	0.4
359.22119	12.7
360.22574	0.7
377.23215	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	395.2423
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
53.03934	2.2
55.05501	4.5
57.03426	1.8
57.07069	7.8
67.05490	11.7
69.03428	3.5
69.07061	8.8
71.80554	2.5
71.83788	1.6
79.05484	7.4
81.07038	12.9
83.01325	3.8
83.08626	2.2
85.06521	2.9
87.87306	1.4
91.05461	7.6
93.07030	20.0
95.04942	3.9
95.08585	8.4
96.54360	1.6
97.06489	1.6
97.10159	1.8
105.03388	3.4
105.07014	7.5
107.04972	2.3
107.08572	17.3
109.09505	1.7
109.10126	10.3
110.44160	1.6
119.08585	7.5
121.02867	5.3
121.06506	4.8
121.10122	9.3
123.11661	12.0
131.08588	2.9
133.10112	4.9
134.98373	1.6
135.08032	3.0
135.11699	18.3
136.11993	2.0
137.09561	2.1
139.03944	1.7
143.08580	2.2
145.10066	2.2
147.11681	4.6
149.05919	2.5
149.09657	3.0
149.13252	2.6
151.03920	3.6
153.01826	2.7
153.05507	2.2
157.10081	3.4
161.05957	2.4
163.07562	6.3
165.05545	2.2
165.47496	1.8
167.03403	3.4
169.04947	2.5
169.10255	1.5
171.08049	2.7
173.09619	6.5
177.05461	3.1
177.09103	8.3
179.03368	32.3
179.08633	2.0
189.09082	6.8
191.07031	2.3
191.10677	3.6
195.06520	4.4
195.10030	2.4
195.11784	2.3
197.04434	19.7
199.07581	2.4
201.09082	4.0
203.03391	2.8
203.07057	2.8
203.10664	1.9
205.08536	11.1
205.12204	2.8
209.07986	2.6
213.12764	2.0
215.10463	2.2
217.05023	2.7
217.08542	11.1
219.06506	5.4
219.10100	26.7
223.09644	5.8
225.11040	2.9
229.12227	2.6
233.11674	14.5
235.09639	6.3
237.11174	24.9
243.10083	2.8
245.04539	2.2
247.13214	1.9
251.12717	15.5
257.04404	2.9
257.11761	6.3
261.07510	1.9
261.11148	2.7
271.13272	2.4
273.03946	28.6
273.07559	37.1
274.07834	4.2
275.12756	15.7
275.15921	2.9
277.07086	1.9
283.13144	2.3
285.07486	3.9
285.14896	4.6
287.05606	2.6
287.15802	1.9
301.14410	3.5
303.15869	9.7
309.07590	4.5
311.09183	3.1
313.07043	15.5
327.08615	2.1
339.15930	4.2
341.21170	5.0
343.18903	4.0
344.19745	2.2
359.22116	100.0
360.22565	7.2
367.14828	3.4
377.13867	2.3
377.19156	3.9
377.23560	3.2
395.14264	17.1
395.18753	6.7
395.25684	4.8
396.14807	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	395.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.05493	1.3
57.03423	2.6
57.07066	3.1
59.04993	0.6
67.05499	1.2
67.88750	0.5
69.03376	0.5
69.07049	2.3
71.04974	0.9
71.30115	0.4
71.81035	0.9
74.42371	0.5
77.91090	0.4
79.05471	1.8
81.07038	3.2
83.01321	3.4
85.06529	1.1
86.31673	0.5
91.05451	2.0
93.07030	7.0
95.04964	1.1
95.08583	1.7
97.06495	0.5
104.65379	0.5
105.03371	2.9
105.07001	3.4
107.08573	9.6
109.06483	0.9
109.10136	2.2
117.07008	0.7
119.08563	1.0
121.06430	0.7
121.10117	1.9
123.11690	6.6
125.46856	0.5
131.08568	1.2
133.10095	1.3
135.08064	3.4
135.11670	10.9
136.12045	0.6
139.03893	1.1
143.08559	0.6
145.06418	0.6
145.10103	2.8
147.11694	0.6
149.05936	1.0
149.09615	1.7
153.05411	1.2
155.08530	0.6
156.61879	0.5
161.05945	0.8
162.06757	1.5
163.07555	3.7
163.11165	1.7
165.05443	1.2
173.08391	0.5
173.09613	3.1
175.07536	0.8
176.08286	1.3
177.05469	3.4
177.09094	10.1
179.03387	3.9
190.06123	0.6
191.07051	1.1
191.10649	5.7
197.04437	2.3
197.13121	0.5
201.09053	4.4
204.07803	1.7
205.08504	0.5
207.10037	0.5
215.18440	0.5
219.10138	60.2
220.10474	2.2
225.11182	3.3
225.23563	0.4
237.11182	100.0
238.11525	3.4
240.97675	0.5
251.12793	0.8
257.08069	4.6
257.11560	1.0
262.79553	0.5
275.16177	0.7
319.18930	0.5
341.21014	1.3
348.30603	0.5
359.22134	35.3
360.22327	2.0
377.17175	3.0
377.23407	1.3
395.14734	1.5
395.18607	1.7
395.25504	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.7
55.05490	5.1
57.07057	6.7
66.78712	1.5
66.79068	1.4
67.05479	7.3
69.03388	2.1
69.07050	4.3
70.93545	5.0
71.04972	5.4
75.63589	1.4
79.05473	4.9
80.04095	1.3
81.07029	6.1
83.01326	6.4
83.04948	1.9
83.08591	1.6
85.06513	2.7
91.05477	11.1
93.07027	16.1
95.04949	6.9
95.08598	13.9
99.04488	1.6
105.03371	3.6
105.07030	12.8
107.08590	17.6
109.06486	2.9
109.10124	5.7
111.08047	2.4
113.05998	1.9
117.06983	2.4
119.08554	5.6
121.06496	4.9
121.10114	10.0
123.08010	2.1
123.11693	2.1
125.06013	1.6
131.08549	4.7
133.10124	10.1
135.08015	5.4
135.11685	4.0
142.07777	2.2
143.08514	2.3
145.10091	4.0
147.11679	5.0
149.09608	5.3
151.07524	3.0
153.05424	3.4
157.10164	2.7
159.08060	6.2
159.11690	2.3
161.09569	2.5
162.06715	3.0
163.07536	8.9
163.11122	2.6
171.08005	4.2
173.09630	4.7
175.07446	2.3
175.11177	6.7
177.05455	2.2
177.09108	14.8
179.03375	4.3
179.07060	2.7
185.09647	2.3
187.07559	6.4
189.09039	2.4
191.07057	5.8
191.10652	3.5
192.07697	2.3
195.06557	1.9
197.04536	2.2
197.07950	2.2
197.09679	1.8
197.74203	1.7
199.11191	2.3
203.10603	3.8
205.08569	73.0
209.08044	2.7
213.12770	2.2
219.06567	2.1
219.10150	7.2
223.09630	73.2
224.10033	2.2
229.08498	1.7
231.10147	4.2
233.11731	2.1
237.11113	4.0
241.12157	1.9
243.10106	4.2
249.11200	9.3
251.17943	2.2
255.13951	2.8
256.10831	2.3
261.11188	4.1
265.12387	2.0
268.10858	1.9
269.11679	10.1
271.13235	3.1
283.13287	9.3
287.12671	4.3
289.14191	2.7
295.16135	1.9
299.16266	2.2
301.14359	12.5
303.19418	1.9
321.07617	2.1
323.16431	3.0
325.18002	11.3
339.08618	3.3
341.17413	4.3
343.18985	100.0
344.19321	6.1
359.18488	3.2
361.20010	30.5
362.20273	2.5
377.19653	26.7
377.24329	2.3
395.14600	4.6
395.25729	5.0
406.37619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05500	2.6
57.03412	1.4
57.07053	3.6
62.02880	0.9
67.05486	7.5
69.03408	2.6
69.07055	5.3
71.04969	3.8
79.05475	5.1
81.03410	1.0
81.07041	6.6
83.01327	7.5
83.04951	1.4
85.06532	14.1
91.05459	8.1
93.07024	9.9
95.04934	4.0
95.08595	11.5
96.08913	1.6
96.54479	1.0
105.03354	7.8
105.07010	12.6
107.04955	2.3
107.08580	13.9
109.06492	3.5
109.10135	15.1
110.10469	1.1
117.07008	1.1
119.08550	2.8
121.06500	5.9
121.10118	10.6
123.04395	2.7
123.08055	1.5
123.11668	3.0
125.09634	1.9
127.11159	2.6
129.06940	1.7
131.08528	4.5
133.10107	17.7
135.08003	5.7
135.11659	2.2
137.05931	1.5
137.09598	1.9
143.08556	2.1
145.06470	1.2
145.10095	1.9
147.08150	1.5
147.11685	1.4
149.05966	2.5
149.09595	6.3
153.05424	2.7
157.10092	2.2
159.08018	4.5
159.11679	1.1
161.05981	2.2
161.09610	3.4
162.06744	5.2
163.07523	9.6
165.05444	2.1
167.03316	1.0
167.90047	1.1
169.04892	1.1
169.10039	1.3
171.08076	2.5
171.11711	1.2
173.09573	2.6
175.11130	4.2
176.13423	1.1
177.01854	2.5
177.05438	2.9
177.09096	17.1
179.03322	8.8
179.06914	1.4
183.02821	1.2
187.07469	5.2
187.11192	1.2
189.09076	9.0
191.03381	7.0
191.06992	5.4
192.07874	1.5
193.04956	1.3
193.08563	2.2
195.02855	7.2
195.06474	3.2
197.04500	5.1
199.07510	1.9
201.09091	2.5
203.06932	2.0
203.10582	2.2
205.08569	70.4
206.08844	2.6
209.04436	6.1
211.11176	1.3
211.14630	1.3
213.09079	1.3
215.06905	1.3
217.05049	1.3
217.08549	7.6
219.06490	1.7
219.10051	5.6
221.08199	1.5
223.09612	70.8
224.09898	1.7
229.08604	2.3
230.09193	1.5
231.06412	2.4
231.10098	2.5
235.09624	16.1
237.07655	1.2
237.11172	4.7
241.12282	1.5
243.06511	2.9
243.10176	7.3
247.09712	5.7
249.11171	3.1
251.13742	1.4
251.17732	1.5
255.06454	3.5
255.13876	1.1
257.08047	8.9
257.11795	2.1
261.11017	6.3
265.12186	1.6
269.08188	5.7
269.11630	4.3
269.14288	1.3
273.14880	1.4
275.12683	1.8
278.12613	1.4
279.12927	1.2
280.18030	1.5
283.13208	7.7
287.12744	1.9
288.87320	1.1
293.18292	1.8
295.09641	2.1
299.12744	2.7
301.14334	6.9
307.16721	3.3
309.10965	1.2
309.17502	1.8
317.13812	1.9
321.07861	1.2
321.17456	2.9
325.17755	11.2
339.08603	2.7
339.18704	4.1
343.18991	100.0
344.19485	4.7
359.22281	1.4
361.20026	23.9
377.17319	27.8
377.23721	9.9
378.17822	1.3
395.19254	6.9
395.25232	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	395.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
59.05001	3.1
64.31120	2.2
67.05497	5.3
69.03413	5.1
69.74454	11.3
69.74889	8.5
71.04996	8.0
78.11040	2.0
79.05473	5.2
79.21886	2.2
81.07042	17.8
86.36419	2.0
91.05459	6.3
93.07034	10.4
95.01387	2.1
95.04948	5.3
95.08607	4.7
97.92413	2.4
98.21476	4.2
99.04468	2.5
102.19664	2.1
105.07039	7.9
107.08578	14.9
109.06525	10.1
109.10155	6.3
113.08823	2.7
119.08556	7.2
121.06505	8.3
121.10140	26.5
122.10909	17.9
123.04419	3.1
123.11684	32.0
125.02335	7.7
127.44056	2.6
133.10143	4.6
134.10898	6.7
135.11723	4.3
139.07565	2.9
144.21681	2.6
148.21893	2.5
149.05966	17.9
153.05461	8.0
157.10092	2.6
167.03424	13.2
167.07079	3.9
169.61780	2.7
173.06157	2.7
175.11205	4.2
177.05453	51.6
177.09132	3.0
178.06250	7.1
179.03386	33.5
181.05013	4.2
183.06471	2.7
187.07649	2.5
189.83609	2.2
191.07060	11.2
195.06503	100.0
196.07310	31.0
197.04480	9.0
205.08620	12.5
209.08072	6.5
219.06543	8.8
221.08174	6.5
223.09613	21.9
229.12341	3.2
237.07544	19.8
238.08295	6.8
243.10046	4.1
255.08617	14.0
255.13611	2.4
261.11227	6.2
269.11795	3.3
271.13321	3.6
283.13226	7.9
287.12723	4.0
289.14374	3.0
299.16382	3.7
301.14334	56.3
302.14780	3.1
315.19669	2.8
317.17358	12.2
318.18015	3.5
319.15469	14.7
329.17554	7.2
343.18979	4.1
344.19827	37.0
362.20883	10.4
377.19531	64.5
378.20175	3.5
395.20566	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	395.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74424	2.9
55.01853	3.2
59.96049	3.0
62.19850	3.0
63.93957	2.7
67.05491	4.9
70.99889	8.0
71.00229	3.8
71.04965	8.5
79.05481	3.6
81.07030	10.8
87.12305	3.0
91.05460	6.2
93.07016	6.8
95.04972	3.1
95.08582	6.6
97.06535	3.3
99.87870	3.0
103.05441	3.8
105.07008	8.4
107.08567	16.5
109.06503	9.0
109.10152	8.0
112.69236	3.4
119.08579	8.4
119.52946	2.9
121.06491	7.1
121.10130	23.3
122.10939	14.7
123.04370	3.7
123.11684	34.5
125.02316	9.5
134.10876	3.8
135.08060	4.0
135.11659	8.9
137.05997	4.0
149.05939	13.6
151.02106	3.1
153.05447	8.2
161.09702	3.1
163.07532	3.4
167.03403	11.7
173.09628	3.1
175.07608	3.1
177.05457	45.5
177.09123	4.3
178.06241	7.0
179.03368	33.0
181.04951	5.3
183.06432	4.8
191.06975	9.3
195.06506	100.0
196.07260	23.1
197.04440	10.1
205.08505	16.6
209.08031	4.7
216.28912	3.0
219.06404	5.6
221.08020	5.3
223.09679	17.0
237.07596	14.5
238.08264	8.6
255.08632	14.6
283.13287	9.3
299.16208	3.3
301.14261	53.1
311.16367	5.5
317.17484	15.4
318.18054	5.8
319.15335	14.9
329.17572	8.2
343.18939	5.1
344.19843	43.7
362.20889	14.8
377.19626	58.6
395.20578	21.9
417.11090	3.4
418.03629	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	395.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46713	2.3
53.03933	4.5
55.01856	3.2
55.05496	7.5
57.03429	3.0
57.07066	10.6
65.03929	2.6
67.05489	12.3
69.03416	4.9
69.07059	22.3
71.04982	6.2
71.80206	3.2
78.10042	2.0
79.05473	12.3
81.03407	3.2
81.07048	18.0
83.01341	7.5
91.05473	16.2
91.17437	2.4
93.07030	30.8
95.04948	13.4
95.08592	16.7
96.09367	3.3
98.92937	2.0
99.04450	2.9
105.03387	36.4
105.07017	28.8
107.08582	49.5
107.09248	4.0
109.06512	7.2
109.10129	15.8
111.19628	1.9
117.07024	3.1
117.62321	2.1
119.08569	14.6
121.06474	5.7
121.10123	58.8
122.10931	23.1
123.04401	2.7
123.08058	9.2
123.11722	15.0
131.08580	5.1
133.06421	2.9
133.10086	12.8
134.10838	2.5
135.08026	3.0
135.11670	38.6
137.05972	7.6
137.09653	3.7
137.70593	2.4
141.01805	2.7
143.08496	2.8
145.10109	10.8
147.04327	2.7
147.11676	4.3
151.11180	4.2
153.12630	2.3
159.08047	4.2
163.07542	3.2
163.11197	6.3
167.03352	3.1
169.04929	6.2
173.09628	13.7
175.11168	9.0
177.05496	3.4
177.09048	2.8
179.03371	100.0
181.04860	3.2
183.02904	8.9
183.06555	8.7
187.07506	4.7
191.06996	3.0
193.05005	4.3
195.06631	2.4
197.04419	49.2
197.06264	3.1
197.08099	9.9
205.08594	13.6
207.06473	15.4
215.10776	2.8
219.06461	3.5
221.08138	6.9
223.09573	21.1
225.07603	13.9
226.08365	9.0
227.09074	5.4
229.04927	3.5
229.08643	2.7
229.12167	4.1
237.07736	3.0
243.10130	7.3
243.13873	5.5
245.04494	6.4
245.08221	2.5
247.13245	2.7
255.06570	7.2
257.04205	2.6
257.08069	37.0
261.11060	12.4
269.04504	3.3
269.11630	3.6
271.13278	5.8
273.03925	27.2
273.07520	8.3
273.14661	2.8
281.08121	3.0
283.09525	2.4
283.13364	3.7
285.03958	7.3
287.05536	6.4
287.12717	5.7
289.14359	7.7
301.14316	34.1
309.07529	11.5
315.19635	4.1
319.15387	74.4
320.15656	4.1
325.07037	6.4
325.18140	2.8
327.08582	51.1
328.08899	4.4
339.08548	3.1
343.18903	4.3
344.19785	18.7
359.16409	5.5
361.19891	3.9
362.20837	89.9
363.21274	4.7
377.17136	21.9
395.14703	42.0
395.18832	30.5
395.25723	5.7
396.14972	5.8
403.83295	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	395.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
55.05490	6.5
56.74162	2.5
57.07049	9.3
59.04988	6.6
65.03912	2.7
67.05497	17.5
69.03415	5.2
69.07053	10.1
70.06551	2.5
71.04980	6.7
71.53294	5.9
71.53699	2.0
79.05494	15.3
81.07046	23.6
83.01321	10.3
83.04965	4.1
85.06526	8.8
91.05459	16.5
93.07030	46.6
95.04949	8.4
95.08595	27.0
96.09365	7.1
97.06484	2.7
99.04422	2.5
104.89706	2.3
105.03363	7.6
105.07015	24.7
107.08585	61.0
109.06539	11.5
109.10140	24.8
110.07217	2.8
111.11765	2.4
113.06015	3.4
117.07011	2.9
119.08575	13.3
121.06444	6.8
121.10137	49.9
122.10242	2.5
122.10928	29.3
123.04432	3.7
123.08049	13.0
123.11672	17.0
127.11140	2.6
131.08589	5.2
133.06473	3.3
133.10114	12.8
135.08031	7.3
135.11679	51.3
137.09625	4.6
137.13271	3.4
138.10381	7.8
139.03975	2.6
139.11055	3.9
141.05409	2.6
143.08540	4.4
145.10123	7.1
147.08058	2.4
147.11636	4.0
149.05966	3.7
149.09608	3.1
151.07507	5.8
151.11148	7.5
153.05557	3.4
153.12721	4.1
159.07999	4.1
161.05945	4.0
161.09569	7.0
163.03821	4.8
163.07516	6.1
163.11177	6.5
165.05530	3.8
165.08978	3.9
167.03349	9.7
167.07097	4.9
169.04976	11.0
173.09589	12.8
175.07513	3.0
177.05460	7.2
177.09073	8.2
179.03371	75.6
179.06970	7.0
179.10849	2.6
181.04950	3.2
183.02876	18.0
183.06493	14.4
185.08032	3.1
187.07614	3.6
187.11053	3.1
189.05397	6.7
189.09132	14.1
191.03349	8.5
191.06979	5.3
191.10678	3.0
193.04945	5.1
195.06485	12.9
197.04430	33.0
197.06151	3.7
197.08054	19.8
199.07574	3.1
199.11006	2.6
199.15009	2.8
201.12587	2.9
203.07079	3.4
205.08589	27.4
207.06502	20.8
209.07967	5.0
215.10649	2.9
217.08566	22.4
219.06572	4.4
219.10190	6.9
221.08008	5.0
223.09598	37.1
225.07587	31.8
225.29343	2.5
226.08334	13.2
227.09114	4.7
233.11568	5.9
235.09564	18.3
237.07581	5.5
237.11250	9.9
243.10092	8.7
251.12653	4.0
255.02904	3.6
257.04517	3.3
257.07867	4.0
257.11630	3.3
261.11087	17.5
269.08054	10.9
269.11743	2.4
273.03952	21.8
273.14838	3.8
275.12778	7.7
283.13208	4.8
285.07401	3.0
285.14832	3.8
287.05551	3.1
287.12704	4.7
289.14392	3.2
299.16046	2.9
301.14291	39.8
303.15768	8.1
309.07632	3.8
313.06909	9.6
319.15375	83.6
325.17709	3.1
327.08554	4.7
329.17471	3.1
339.08533	7.4
341.17267	3.3
343.19058	13.5
344.19714	18.9
359.18341	3.5
359.22144	30.1
361.19925	4.4
362.20847	100.0
363.21243	3.5
367.15302	2.7
377.13898	4.5
377.19424	13.4
393.13232	2.9
395.14709	16.9
395.20609	15.0
395.25244	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	395.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01852	0.6
55.05492	0.2
57.07046	0.2
65.03921	0.3
67.01858	0.2
67.05510	0.6
67.05791	0.1
68.99771	0.2
69.07055	0.8
71.81116	0.1
77.03925	0.2
79.05463	0.4
81.03402	6.2
81.07040	1.6
83.01320	0.2
83.08578	0.1
83.57228	0.1
83.87431	0.1
89.05997	0.1
91.05464	0.4
93.07024	0.9
95.04940	0.5
95.08601	0.8
99.00798	0.5
105.03378	4.6
105.06998	0.6
107.08578	1.2
109.02862	14.8
109.10155	0.9
110.03180	0.2
115.05441	0.2
117.06986	0.3
119.04989	0.1
119.08541	0.4
121.02843	1.0
121.06493	0.2
121.10118	0.8
123.00729	0.2
123.11691	4.6
127.03880	0.2
129.03365	0.2
131.01237	0.5
131.08540	0.2
133.06462	0.1
133.10114	0.6
135.00745	0.3
135.08032	0.1
135.11668	1.3
137.05966	0.1
139.03900	0.3
141.01797	0.3
142.61118	0.1
143.08519	0.2
145.10126	0.6
147.11678	0.4
149.02315	1.2
149.13197	0.1
151.03893	0.2
153.05495	0.2
155.08528	0.2
157.10107	0.2
159.11655	0.3
161.09622	0.2
161.13231	0.2
165.01868	0.8
165.05461	1.4
167.03397	1.1
169.01300	0.7
171.08015	0.2
171.11729	0.2
175.03961	0.3
175.07515	0.4
175.14842	0.2
177.01797	12.9
178.02161	0.4
179.03397	0.2
179.06955	0.2
183.02837	1.1
185.09549	0.1
187.14806	0.8
191.03337	0.3
191.06955	0.1
195.02863	100.0
196.03207	2.3
199.11163	0.1
203.06976	0.2
205.08478	0.8
207.10156	0.3
209.04372	0.4
209.09651	0.2
213.09018	0.2
213.12639	0.2
215.10643	0.1
217.08563	1.7
218.04457	0.5
219.10104	0.3
221.11682	0.3
223.09583	0.2
227.10559	0.2
229.04829	0.2
229.08502	0.2
231.10158	0.4
241.08548	0.3
241.12070	0.1
243.06512	1.6
243.10013	0.3
245.11600	0.3
249.14766	0.2
255.06482	60.5
256.06818	2.1
257.08063	0.8
257.10535	0.1
269.07983	0.2
269.11731	0.1
273.14709	0.7
281.11649	0.9
283.13229	0.5
295.13113	0.2
296.14044	0.3
297.11496	0.3
297.14792	2.5
299.12817	0.5
299.16306	0.2
307.92380	0.1
309.18350	0.1
311.16498	0.2
317.13867	0.3
326.18692	0.2
327.19565	0.8
339.19522	4.5
352.20370	0.2
353.21069	0.4
359.16351	1.1
377.17426	19.0
378.17813	1.1
395.18454	12.3
395.25757	5.1
396.18921	0.6
397.15994	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	395.1849
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
51.02368	0.3
53.03920	1.0
53.83781	0.2
55.01864	1.3
55.05488	0.9
57.07043	0.3
65.03928	0.6
67.05495	2.8
68.99779	0.9
69.03414	0.8
69.07052	0.5
69.75300	1.4
69.75729	0.9
77.03902	0.6
79.05481	1.9
81.03405	0.3
81.07022	0.8
83.01326	4.8
91.05457	4.0
93.07032	4.6
95.04392	0.4
95.04954	4.2
95.08591	6.7
99.00789	0.5
99.04439	0.4
103.05444	0.3
105.03376	31.7
105.07009	8.5
106.03691	0.3
107.01276	0.3
107.04895	0.3
107.08578	8.6
109.02869	0.5
109.06515	1.0
109.10131	1.2
115.08651	0.6
118.88223	0.3
119.08580	1.4
121.06491	0.5
121.10129	12.3
122.10445	0.4
123.04418	0.6
127.03883	0.4
129.02469	0.4
129.03349	4.2
131.08537	0.9
133.09160	0.6
133.10106	7.5
135.04369	0.4
135.11684	0.6
137.02309	4.4
141.01814	3.9
142.07741	0.3
143.08521	0.9
145.10094	1.1
147.04305	0.3
147.08008	0.4
147.11652	1.2
149.05963	0.4
151.03885	4.8
153.01753	0.4
155.03371	2.4
157.10176	0.4
163.07472	0.3
167.03363	0.6
169.04950	0.9
169.09982	0.3
171.08038	0.3
173.09621	2.4
175.03867	0.4
175.11151	2.3
177.05386	0.5
179.03368	81.9
180.03720	1.9
183.08002	0.3
185.05919	0.7
185.13141	0.7
191.07011	1.2
193.04958	2.2
197.04425	47.9
197.13274	0.4
198.04784	1.0
199.07570	0.6
205.04912	2.3
205.08488	0.8
207.06485	1.2
211.07510	1.8
211.11028	0.4
213.05464	0.9
213.12822	0.4
214.06003	0.3
215.06987	0.4
217.04897	0.8
219.06418	1.3
219.10054	0.3
223.06006	1.4
223.09615	0.6
229.04982	1.2
230.05786	0.4
239.06953	2.8
239.10643	0.4
243.06512	11.2
244.06856	0.3
245.08006	0.6
253.12187	0.8
257.08044	90.4
258.08414	3.5
261.07584	1.5
269.08157	0.5
271.09644	1.7
273.14871	0.9
275.09155	0.5
279.09781	0.3
281.08502	0.5
281.11572	2.0
283.09619	5.8
285.11115	0.5
289.67374	0.3
295.09631	0.4
295.14810	0.5
297.11194	0.6
299.12775	3.5
301.10669	2.9
303.13831	0.6
313.10715	0.3
317.13876	0.6
321.11151	7.7
321.14496	0.4
322.11652	0.5
331.16754	0.5
335.12729	6.2
336.12817	0.3
341.15271	2.3
343.19000	0.7
349.13995	0.6
359.16397	4.2
359.22058	1.4
361.20010	0.3
377.17422	100.0
378.13510	0.5
378.17838	5.8
395.18475	37.3
396.18777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1849
Annotation	Cudraxanthone G
Peak:m/z	Relative Intensity
51.02357	0.7
53.03927	2.4
55.01847	1.9
55.05504	2.3
57.07059	2.2
58.74963	0.7
62.77052	0.8
62.77380	0.7
65.03929	1.6
67.05491	5.5
68.88878	0.8
69.03401	1.1
69.07054	4.6
70.06578	1.3
70.32932	2.2
71.04984	0.9
79.05477	5.5
81.03397	0.8
81.07053	5.4
83.01335	3.3
91.05460	9.7
93.07040	6.4
95.04975	6.6
95.08576	6.1
97.82997	0.8
102.51870	0.7
105.03376	41.3
105.06338	1.7
105.07012	20.3
106.03724	0.7
107.08569	21.6
109.02883	1.0
109.06496	1.6
109.10147	7.8
119.08547	2.1
121.06542	1.0
121.10136	9.4
123.04451	1.4
123.08035	1.0
123.11666	3.5
123.18801	0.8
127.11224	1.6
129.03354	3.4
131.08556	2.3
133.10114	21.0
135.11667	1.8
137.02353	3.8
141.01814	3.8
141.07018	0.9
143.08501	1.4
145.10085	1.2
147.11627	1.3
151.03891	5.1
152.68192	0.7
153.05447	0.8
155.03348	2.3
159.08107	0.9
165.05435	0.8
167.03371	2.8
169.04970	2.1
169.84528	0.8
171.08020	0.7
173.09581	1.8
175.11137	4.0
177.05455	2.2
179.03369	68.9
180.03717	1.5
183.06427	0.8
185.13319	1.1
191.03354	6.9
193.04933	5.8
193.08469	0.9
195.06477	1.5
197.04427	46.7
197.13132	0.8
198.04852	1.0
203.03261	0.7
205.04965	3.3
205.08586	1.7
207.06566	1.2
209.13203	0.9
211.07521	1.1
219.06540	3.0
223.09679	1.0
229.05045	1.7
239.06972	1.8
243.06534	3.7
245.04318	2.1
245.08119	1.4
253.12120	1.1
257.08054	75.5
258.08447	2.2
261.07529	1.0
269.08047	7.7
271.09637	5.4
271.13416	1.8
273.03885	4.0
275.09406	0.8
281.11618	1.8
283.09625	8.2
289.14340	2.3
295.09698	1.2
297.11111	1.8
299.12784	7.3
301.14066	1.1
317.13889	0.8
317.17441	1.0
321.11093	2.3
327.08743	0.8
335.12729	8.2
339.08591	1.2
341.15463	1.1
359.16302	5.2
377.17416	100.0
378.17612	6.8
395.18542	59.5
396.18851	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	395.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.1
53.03933	0.3
54.10904	0.2
55.01862	2.4
55.05482	0.7
57.07051	0.3
57.73014	0.1
65.03916	0.8
66.86334	0.2
67.05493	1.8
68.99783	0.8
69.03407	0.5
69.07066	1.4
70.44417	0.6
71.04994	0.2
79.01814	0.2
79.05485	1.1
81.03402	0.4
81.07042	1.4
83.01327	5.9
83.04949	0.2
91.05460	1.3
93.03386	0.6
93.07029	4.4
95.04949	2.4
95.08570	0.6
99.00782	0.6
105.03373	1.6
105.07018	0.9
107.01314	0.4
107.08576	5.7
109.02843	0.7
109.06509	0.2
109.10153	1.2
111.04420	0.9
115.05406	0.2
116.25819	0.2
117.06949	0.2
119.08565	0.4
121.02844	6.6
121.06514	0.3
121.10109	1.0
123.00795	0.4
123.04420	1.2
123.11687	4.9
127.03928	0.4
131.08527	0.2
133.02824	0.4
133.10100	0.6
135.04337	0.2
135.11668	8.7
137.02310	4.4
141.01807	4.5
141.02608	0.1
145.02930	0.2
151.03880	6.3
155.03355	2.9
159.08029	0.2
161.02303	0.4
161.05930	0.2
167.03366	3.2
169.04921	1.2
173.09572	0.4
179.03363	82.4
180.03729	1.5
181.81824	0.2
189.05586	0.2
191.03386	0.5
193.04935	1.4
193.16866	0.2
197.04420	50.1
198.04774	1.0
199.07532	0.4
203.03337	1.0
205.04987	0.2
205.08606	0.3
215.10492	0.2
217.04912	2.4
219.06592	0.3
221.04349	0.3
227.06970	0.8
235.05948	1.0
237.11310	0.2
245.08060	0.5
255.06413	1.1
257.08057	4.5
261.07562	2.8
273.07529	100.0
274.07867	3.4
275.12668	0.2
277.15857	0.3
283.09671	0.3
285.07510	0.4
287.09079	0.9
297.07425	0.7
299.09030	0.3
301.14362	0.4
307.16174	0.2
311.09128	1.8
313.10529	0.3
339.12332	1.1
377.17010	1.6
377.21558	0.9
395.18466	21.1
396.18884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59423	0.1
53.03933	0.4
55.01597	0.2
55.01857	2.3
55.05507	0.7
57.07052	0.3
65.03918	0.8
67.05494	2.1
68.99760	0.9
69.03420	0.7
69.07056	1.4
70.22124	0.2
70.22520	0.3
71.04974	0.3
77.03910	0.3
79.01833	0.1
79.05481	1.4
81.03401	0.4
81.07050	1.8
83.01327	6.3
83.04948	0.3
91.05460	1.6
93.03376	0.7
93.07030	5.5
95.04951	2.9
95.08578	0.7
99.00796	0.7
99.04424	0.1
105.03381	1.7
105.04498	0.1
105.07011	1.3
107.01295	0.6
107.08575	6.8
109.02859	0.7
109.06494	0.4
109.10139	1.4
111.04424	0.9
115.05414	0.1
117.01894	0.1
117.07026	0.2
119.08530	0.5
119.52032	0.1
121.02850	7.2
121.06513	0.2
121.10109	0.8
122.03226	0.2
123.00774	0.5
123.04416	1.5
123.08044	0.2
123.11684	4.9
127.03883	0.5
128.06221	0.1
133.02826	0.2
133.06458	0.2
133.10127	0.9
135.04396	0.2
135.11671	9.0
136.11955	0.2
137.02310	4.5
137.03362	0.3
141.01807	5.4
141.05460	0.2
143.08591	0.2
145.02841	0.3
145.06470	0.2
147.04286	0.2
147.11694	0.2
149.09654	0.1
151.03883	7.0
151.07504	0.2
152.04283	0.1
153.05461	0.3
153.12703	0.2
155.02185	0.3
155.03369	3.4
157.10068	0.2
159.11722	0.2
161.02264	0.2
161.05995	0.3
161.09578	0.1
167.03362	2.9
169.04918	1.8
171.08029	0.3
173.06042	0.2
173.09537	0.6
175.11089	0.2
177.05620	0.2
179.03363	83.0
180.03702	1.7
181.04837	0.1
185.04311	0.2
191.03447	0.6
193.04953	1.3
195.02901	0.3
197.04419	60.6
198.04782	0.8
199.07541	0.4
203.03409	1.0
205.04947	0.4
205.08604	0.6
209.04405	0.3
211.05887	0.1
217.04927	2.4
219.06546	0.4
219.10077	0.3
221.04445	0.4
227.06984	0.9
231.06514	0.2
235.05942	0.8
237.11227	0.4
245.07909	0.7
255.06575	1.4
257.08044	4.8
257.11966	0.2
258.08459	0.2
261.07538	3.3
269.08032	0.2
273.07529	100.0
274.07843	2.9
275.12582	0.7
277.15933	0.3
279.17447	0.2
283.09732	0.2
285.07626	0.2
287.09076	1.0
289.14310	0.6
295.09796	0.1
297.07538	0.5
301.10864	0.2
301.14102	0.6
307.15421	0.2
308.26215	0.1
311.09125	2.1
311.16241	0.2
313.10580	0.4
325.10452	0.2
325.17563	0.2
339.12292	1.2
353.14172	0.2
377.16608	1.4
377.21539	1.9
378.21631	0.3
395.18436	21.0
396.18951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1486
Annotation	Gerontoxanthone B
Peak:m/z	Relative Intensity
55.05508	2.4
57.07048	0.6
57.50375	0.4
62.85730	0.4
67.01828	0.5
67.05486	3.0
69.07061	29.4
70.07340	0.6
71.04948	0.6
71.81627	0.6
79.05444	1.1
81.06997	2.0
83.04943	0.5
83.08546	0.9
84.43859	0.4
91.05441	0.9
93.06964	1.4
95.04928	0.7
95.08565	1.3
97.10157	2.4
105.06987	0.8
107.04906	0.5
107.08527	1.6
109.10094	1.1
110.10464	0.5
111.11691	1.1
118.22291	0.4
119.08535	0.7
121.10080	1.5
123.11644	1.8
129.06905	0.5
133.10033	0.7
135.11664	0.6
145.02815	0.5
145.06474	0.5
145.10057	1.0
153.01811	0.6
153.05499	0.5
177.05441	1.7
179.03352	0.8
191.06924	0.5
217.04976	1.2
223.05975	0.5
229.04973	0.9
231.02763	0.9
235.07541	0.8
245.04399	3.2
246.04636	0.5
253.08513	0.9
257.04404	3.6
259.02173	0.6
261.34454	0.5
263.06924	1.0
266.05731	1.7
266.24710	1.0
267.06372	0.6
267.25284	0.8
268.25418	1.5
269.04401	5.3
270.04968	0.6
273.03906	9.3
274.04288	0.7
281.05109	0.9
281.08084	12.0
282.08298	0.9
284.02972	0.8
285.03897	12.9
285.07162	0.6
286.04227	0.7
287.05423	1.1
291.06381	0.8
293.07892	0.6
294.05121	2.1
295.05820	0.6
297.03915	3.6
299.05469	1.5
299.08804	0.7
301.14279	1.8
309.03967	1.2
309.07547	20.5
310.08072	1.4
311.05539	3.6
312.06232	2.1
313.06812	0.5
317.17484	0.8
320.06601	0.5
321.07501	1.3
325.06961	1.9
326.07886	0.5
327.08594	100.0
328.08908	6.7
339.08664	5.3
343.19073	0.7
344.19733	1.0
359.21860	0.5
362.21014	0.7
377.13803	2.3
377.19107	0.9
377.30499	1.7
395.14865	17.1
395.20209	0.9
395.31754	5.5
396.15140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70465	1.8
53.03913	2.5
55.01863	16.5
65.03940	2.9
67.05497	3.9
68.99777	7.1
69.03407	4.9
70.06567	2.5
71.13077	4.7
73.02910	3.6
73.76479	2.1
81.03410	9.1
81.07023	3.1
83.04961	3.3
85.02878	8.5
91.05466	4.4
93.03398	4.6
93.07008	4.3
95.04963	4.1
97.02867	5.4
97.06525	2.4
107.04931	5.1
109.02842	6.4
111.04436	4.2
115.84294	1.8
119.04932	2.4
121.02850	19.9
123.04408	5.8
125.09650	3.1
127.03889	20.7
133.10167	2.5
135.04391	5.7
137.02321	100.0
138.02690	2.0
138.82336	1.9
139.03882	2.3
140.31500	1.8
141.01855	3.0
147.04367	10.2
149.02338	3.7
151.03860	10.2
153.01805	38.9
153.09068	5.9
159.04428	3.0
161.02269	2.6
163.03859	10.8
165.01805	17.3
167.03365	4.9
171.02905	2.3
175.03893	12.3
177.01830	19.7
177.05408	4.9
179.03389	13.4
181.08543	3.0
183.02834	11.3
185.06038	1.9
187.03860	3.6
189.01740	2.5
189.05359	2.4
191.03369	23.7
195.02853	11.5
197.00757	3.6
197.11693	3.5
198.12062	2.4
199.09659	2.9
201.05446	3.6
203.03372	25.5
205.04921	2.8
207.02872	7.0
213.05472	5.0
215.03323	9.0
219.02922	17.8
220.06371	1.9
221.04404	5.2
223.02344	5.1
225.05409	3.3
231.02888	39.4
233.04347	5.1
241.04951	2.1
245.04399	2.5
249.03922	15.3
253.04855	4.2
257.04489	3.5
263.05508	22.2
269.04367	2.9
271.06036	2.9
273.04019	13.4
275.05487	23.2
281.04480	4.8
287.05505	24.6
297.03937	2.7
299.05362	6.4
301.07001	7.4
305.06491	12.4
313.06989	4.6
323.05435	3.0
329.06512	82.1
330.06860	4.3
341.06519	82.5
342.06940	3.1
349.14087	2.1
358.82144	1.9
359.07556	34.8
360.08188	2.0
377.08524	8.4
387.40686	2.1
395.09760	5.8
395.15442	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	395.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
57.03425	1.8
61.02914	6.3
65.00091	0.8
68.99771	1.8
69.03420	2.1
71.01347	1.3
71.10682	1.2
71.11037	1.7
73.02906	45.5
81.03416	2.0
85.02873	1.7
97.02854	1.0
115.03916	3.7
121.02846	3.2
127.03901	7.3
132.17284	0.9
133.02864	0.9
135.04382	1.1
137.02324	29.7
147.04358	2.8
151.03886	3.4
153.01810	100.0
154.02103	2.3
163.03885	5.5
165.01842	2.2
165.63936	0.8
171.02979	0.9
175.03911	6.0
177.01813	3.7
177.05492	2.6
179.03384	4.8
183.02919	1.2
191.03386	4.9
193.04993	1.2
195.02887	2.3
196.71466	0.8
203.03375	8.8
207.02876	2.4
215.03354	1.2
219.02887	1.4
231.02888	5.6
233.04416	1.2
245.04468	2.8
249.03915	1.9
257.04446	1.3
263.05472	81.3
264.05826	4.8
273.03787	1.4
275.05496	3.1
287.05389	5.9
299.05429	2.1
305.06528	2.9
329.06512	11.9
341.06534	15.0
342.06693	0.9
359.07587	7.4
377.08594	2.9
404.42429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46140	0.7
51.48976	0.8
55.01873	1.7
57.03427	9.7
61.01153	0.9
61.02916	2.5
68.99786	1.9
69.03393	1.0
69.81385	6.2
69.86072	0.8
73.02521	1.6
73.02909	22.1
80.05003	1.3
81.03404	2.3
90.57063	0.8
97.02878	1.9
115.03929	2.8
121.02877	1.5
127.03885	4.5
137.02324	24.4
147.04369	2.0
151.03889	3.4
152.45670	0.9
153.01810	100.0
154.02164	2.9
163.03903	1.6
165.01834	2.0
172.96495	0.8
175.03940	4.0
177.01797	3.8
177.05461	1.5
179.03381	4.4
191.03381	3.9
193.04968	0.9
195.02805	1.2
203.03351	7.5
207.02870	1.5
209.04501	1.1
215.03513	1.1
221.04512	0.9
231.02885	2.5
233.04401	1.1
233.06499	1.3
245.04471	2.9
249.03851	1.6
263.05475	83.3
264.05756	4.1
264.82452	0.9
275.05481	2.2
287.05557	5.3
294.90106	0.9
299.05347	1.3
305.06525	2.3
329.06415	4.0
341.06537	8.1
358.75967	0.9
359.07690	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	395.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67395	0.4
55.01851	0.5
67.33389	0.3
68.46179	0.3
71.77474	0.6
81.07011	0.4
83.04932	0.4
84.08110	0.6
85.02898	0.8
95.08557	0.5
99.04481	0.5
103.93407	0.3
105.03401	0.7
105.06958	0.3
105.13100	0.3
107.04865	0.5
107.08578	0.7
113.09637	0.4
119.08575	0.4
123.04405	0.8
147.04376	1.2
159.21826	0.4
161.05925	0.4
163.00014	0.9
163.86833	0.3
172.08720	0.5
198.12061	0.5
199.02100	0.5
219.06276	8.6
220.06639	0.4
231.02795	0.5
231.06349	0.4
243.02945	0.4
243.06596	1.0
245.04453	0.6
261.07361	1.3
287.05249	0.5
288.26114	0.4
307.07126	0.4
319.96152	0.4
377.08578	1.0
377.13669	0.4
395.09454	100.0
396.09750	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	394.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97929	1.4
55.05502	10.8
55.45427	1.4
57.03424	3.5
57.07086	1.9
57.62756	1.5
65.25287	1.5
67.05487	10.5
68.03782	1.4
69.03442	7.6
69.07056	9.2
70.36056	8.4
70.36359	2.8
71.04982	4.6
79.05476	8.0
79.78307	1.4
81.03410	3.8
81.07047	36.5
83.04990	3.5
83.08616	9.9
85.02890	22.0
85.06531	3.8
91.05474	10.7
93.07027	12.3
95.04947	1.9
95.08592	48.1
97.02865	5.2
97.06521	7.4
97.10170	6.0
99.08076	6.1
105.07019	13.2
107.08575	6.0
109.02853	3.5
109.06502	3.1
109.10133	4.2
111.08037	1.8
113.09597	3.5
115.07520	2.0
119.08564	25.4
121.10109	8.4
123.08044	3.1
127.03899	4.9
127.07495	2.0
128.52861	1.5
133.06493	1.9
133.10112	18.1
135.11685	12.3
137.09622	2.7
137.13248	12.8
141.09126	2.7
145.04913	2.4
161.13249	64.8
162.13568	2.8
179.14291	100.0
180.14709	4.1
197.15341	51.5
198.15694	1.8
215.16452	13.5
269.90942	1.7
394.19485	2.1
395.20367	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	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94599	0.8
53.20090	0.8
55.01867	0.9
55.05492	1.4
57.03410	0.9
61.02917	1.3
62.06075	3.2
63.10239	0.8
65.65125	0.7
67.05500	5.4
68.64967	0.6
69.03404	2.8
69.07053	6.0
70.06579	1.9
70.13433	1.2
70.13847	2.9
71.04974	3.3
71.69330	0.7
73.02887	1.0
79.63741	0.7
81.03400	1.1
81.07045	4.4
85.02892	8.6
86.09688	1.2
86.42366	0.7
91.05452	1.3
93.07031	1.7
95.04955	1.8
95.08584	3.5
96.08941	0.7
97.02885	1.9
97.06516	0.9
99.04442	1.8
101.06047	0.9
105.07021	1.4
107.08553	1.4
109.06488	1.0
109.10139	100.0
110.10469	2.4
113.06020	0.9
119.08569	1.6
120.08048	0.8
121.06460	0.8
121.10146	1.5
123.11674	0.8
127.03928	1.2
127.07533	1.2
127.11175	46.6
133.10107	4.6
136.07571	0.9
137.09599	3.1
145.04955	2.9
151.11136	1.5
153.12782	1.5
155.10651	6.4
161.09592	5.1
169.12219	1.2
171.13844	1.3
173.11700	11.6
177.16367	2.0
178.16731	2.7
179.10635	8.6
180.08687	3.9
195.17548	0.9
196.17761	1.7
197.11705	92.4
198.12062	1.3
214.18799	1.1
215.12752	28.6
232.15474	2.6
274.04282	1.1
378.04959	0.8
394.08560	0.9
394.19812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05196	1.5
52.95266	1.7
53.25719	1.6
55.05494	4.3
55.84116	1.6
57.07056	4.0
66.43627	1.7
67.05491	3.0
69.03411	5.6
69.07033	2.5
70.03742	1.7
71.04976	7.6
79.05487	4.5
81.07030	6.4
81.86448	1.6
83.01330	2.9
83.04977	2.0
83.08611	3.3
85.06518	2.1
91.05462	5.4
91.87600	1.5
92.05815	2.4
93.07027	14.1
94.07360	9.0
94.07877	1.8
95.04962	1.9
95.08598	4.5
96.08933	2.7
97.02862	8.5
97.06508	3.3
98.03193	3.2
105.03365	3.9
105.06325	3.3
105.07016	64.3
106.07346	42.9
107.08594	13.3
108.08906	7.6
109.06471	2.0
110.06844	2.2
111.08046	7.4
112.08379	2.6
113.02438	2.3
117.07027	1.9
119.08556	6.1
120.08907	3.8
121.06451	4.0
121.10173	7.8
122.10478	4.7
123.11683	2.2
131.08568	17.7
132.08882	12.4
134.11525	1.6
135.11684	18.8
136.11990	13.0
137.23915	1.9
137.34273	1.7
139.07529	2.9
139.11195	1.6
140.07892	2.1
140.11552	2.2
144.08865	2.4
145.10120	17.9
146.10390	19.6
147.11244	15.0
148.11980	8.8
149.05980	14.1
150.06262	8.2
167.06996	6.7
168.07365	4.7
169.04953	3.3
173.09624	8.6
174.09933	12.2
175.11143	4.9
176.11491	5.8
177.05319	1.8
185.08064	100.0
186.08408	70.0
186.13528	2.8
191.10640	24.7
192.10995	26.9
193.12233	5.7
194.12566	10.0
194.72841	1.5
195.06541	2.5
196.12065	2.7
197.04311	1.9
198.13646	2.9
203.06990	2.8
205.08511	2.9
211.08627	2.5
214.13049	5.6
219.10196	2.2
220.10419	2.4
223.09528	2.3
226.13084	2.6
228.14577	1.8
229.56743	2.0
235.09589	1.9
240.09474	2.1
241.10588	3.8
242.10881	3.2
258.11877	2.4
259.13300	12.1
260.13617	33.0
274.15125	3.1
278.14679	3.7
286.18726	2.6
301.14172	2.1
312.16885	3.0
314.18164	4.0
330.17828	8.9
332.19077	2.1
340.19839	9.4
358.17157	10.4
358.20984	15.8
376.17825	8.1
376.22214	11.6
394.23941	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	393.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47722	1.5
55.05499	9.9
57.07056	6.1
67.05500	7.5
69.03416	3.2
69.07057	16.3
70.70422	3.6
70.70803	2.3
71.04994	4.0
75.99918	1.5
79.05486	9.1
81.07042	25.2
83.08619	11.1
85.02892	8.9
85.06526	5.7
86.09708	1.6
91.05471	4.4
93.07033	22.6
95.08600	46.1
97.10157	9.5
99.08065	4.9
105.07024	3.3
107.08578	32.8
107.69120	1.5
109.02795	2.3
109.06471	1.6
109.10130	16.0
111.08035	2.2
111.11732	1.7
121.10130	44.6
123.11688	5.9
125.09555	2.7
127.03909	2.4
133.10080	2.0
134.63255	1.6
135.11656	14.1
137.13252	6.0
139.11150	5.3
142.61606	1.5
143.87637	1.8
149.13226	4.1
151.14761	3.9
164.58670	1.6
165.16364	3.8
177.16373	100.0
178.16698	3.0
183.17451	1.9
188.36569	1.7
188.45651	1.8
195.17419	55.0
196.17723	2.0
198.65794	1.5
213.18481	29.1
214.18816	1.7
215.12767	1.9
222.24382	1.6
231.19528	5.7
273.04001	2.7
327.04941	2.1
328.81155	1.8
357.05960	3.2
393.08044	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	394.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01863	2.1
56.96557	9.7
57.03425	4.0
61.02923	5.2
63.02363	1.0
65.03938	1.4
67.05500	0.9
68.99786	1.3
69.03419	7.3
70.06600	0.8
71.04972	1.0
71.80454	1.0
73.02525	1.7
73.02909	26.4
74.06062	1.5
77.03901	0.9
79.05467	5.2
81.03414	4.3
81.07088	1.0
83.04980	1.2
84.08150	2.7
84.96029	1.4
85.02895	17.5
85.14796	0.8
89.03906	10.8
91.03938	1.1
91.04920	1.4
91.05468	17.8
95.04949	3.3
97.02893	6.3
98.97552	4.3
99.04456	1.8
100.11263	1.1
107.04942	10.7
109.02859	2.2
111.04422	2.9
115.03899	2.5
116.74107	0.9
116.98615	2.8
117.03361	10.4
119.04924	46.8
120.05291	1.3
120.08087	2.4
121.02867	2.4
121.06511	5.0
122.03648	1.0
123.04377	2.1
124.60796	0.9
124.99110	1.7
127.03910	7.4
129.05544	1.0
131.00189	1.5
131.04958	1.2
133.02882	1.7
133.06482	1.1
134.99658	1.4
135.04393	31.3
136.04691	1.5
136.06210	1.5
137.02324	12.5
137.05960	35.3
138.06306	1.1
139.03882	2.2
139.69757	0.8
143.00124	4.5
145.02835	13.6
145.04955	3.3
147.04391	82.9
148.04738	2.7
149.05972	9.0
151.03877	2.5
151.07527	8.7
153.01805	44.9
159.03297	1.3
161.01181	5.2
161.04642	0.9
162.04092	6.6
163.03888	100.0
164.04221	7.4
164.25679	0.9
165.05499	1.9
166.08635	1.7
167.07018	18.8
170.99632	2.2
175.03882	2.9
177.00555	0.9
177.01901	1.6
177.05489	2.8
179.07008	94.8
180.07341	3.0
183.03043	0.9
185.01227	1.8
187.02689	1.6
189.00682	3.0
191.03392	1.5
191.06999	1.9
193.01715	1.1
195.02917	1.7
197.08089	5.2
202.04918	1.4
203.03387	3.5
203.07063	1.0
211.02663	1.3
213.00677	2.3
215.03503	1.0
215.07085	1.4
220.05904	1.0
231.01675	1.8
232.06772	0.8
237.00641	3.7
237.02872	2.8
238.01080	1.3
245.04561	1.2
249.02831	2.5
253.00279	1.6
254.00731	1.1
255.01712	5.4
256.02145	1.3
263.05496	37.6
263.08780	5.3
267.03976	2.0
273.02719	4.1
275.05634	1.2
275.09106	1.1
287.05365	3.1
289.07571	1.6
293.03275	1.0
293.10248	1.6
295.01111	1.3
311.11108	7.4
319.01242	1.9
323.04498	0.9
329.06531	6.0
337.02234	6.4
341.06390	6.2
355.03323	3.7
359.07397	3.0
377.08334	1.0
387.06308	1.1
394.05923	1.4
394.34665	1.7
405.06668	1.4
409.04300	1.4
411.05847	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	393.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.3
57.03434	1.8
57.07054	4.7
65.52081	1.4
67.05499	10.1
69.03406	5.1
69.07063	17.7
69.68426	10.7
70.99783	1.5
71.04966	3.3
79.05476	9.0
81.07048	25.6
83.08619	9.0
83.26274	1.4
85.02887	13.1
85.06520	4.1
86.09695	1.6
91.05466	4.2
93.07034	24.3
95.04974	2.1
95.08596	39.8
96.08949	2.1
97.06522	3.6
97.10149	7.5
98.21471	1.5
99.08063	3.9
105.03374	3.1
105.07030	2.3
107.04906	1.9
107.08582	30.0
109.02885	2.7
109.06459	1.5
109.10145	50.8
111.08053	2.9
111.11675	4.2
119.08566	1.9
120.08052	2.9
121.06447	1.8
121.10131	41.7
122.10432	1.5
123.11691	6.8
125.09635	3.0
127.03876	2.8
127.11186	13.7
128.77760	1.4
128.91222	1.4
131.08530	1.7
135.11711	14.6
137.13248	7.0
139.11174	6.2
142.55986	1.4
145.28865	1.4
149.13248	4.8
151.14822	4.6
161.09561	1.7
165.16470	1.5
173.11736	2.8
177.16371	100.0
178.16698	3.8
179.10652	2.8
184.39110	1.4
195.17435	42.9
196.17746	1.6
197.11705	29.7
213.16602	2.2
213.18498	29.0
213.20421	1.4
215.12750	12.2
230.11748	1.9
231.12085	2.0
231.19493	5.1
273.03998	1.8
287.05545	1.6
303.04980	2.8
357.05783	2.7
393.08182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88552	1.5
51.97067	1.6
53.81575	1.5
55.05494	10.3
57.03409	2.6
57.07059	5.0
57.27908	1.5
59.94796	1.7
62.64513	1.4
67.05493	11.0
69.03400	4.5
69.07057	15.8
69.49177	17.7
70.06573	2.7
71.04987	3.4
72.08124	2.3
75.87074	1.5
79.01865	1.5
79.05474	10.2
81.03409	4.2
81.07048	23.1
83.08613	9.3
85.02877	12.3
85.06525	6.5
91.05469	5.6
93.07039	17.6
95.01371	2.0
95.04958	4.0
95.08591	38.7
97.02856	3.5
97.06504	3.2
97.10165	7.1
99.04419	2.4
99.08092	4.2
105.03374	6.0
105.07019	3.7
107.08581	33.6
109.02830	1.9
109.06456	2.1
109.10132	25.3
110.07143	3.9
111.08085	1.8
111.11713	3.0
113.09637	2.3
119.08585	2.5
120.08092	2.1
121.02831	2.1
121.06525	2.2
121.10120	41.5
122.10471	1.9
123.04424	2.6
123.08066	3.0
123.11687	6.6
125.09656	2.7
127.03901	2.3
127.11169	4.4
133.10133	3.9
135.11696	14.0
137.13216	8.0
139.11159	3.8
147.04422	2.6
149.09612	1.9
149.13245	6.7
149.66653	1.5
151.11172	5.8
151.14787	3.7
153.01793	3.4
156.07664	2.6
165.01880	1.6
165.16368	4.9
177.16360	100.0
178.16710	4.8
181.04976	2.8
183.17390	2.3
187.03874	2.3
195.02843	2.7
195.17426	57.9
196.17821	3.0
197.11688	10.0
197.15427	2.5
211.47798	1.7
213.18472	30.8
214.18750	1.9
215.12723	11.4
231.02812	6.3
231.19476	10.1
233.04321	2.4
241.04932	2.1
241.08607	4.2
243.06546	2.6
245.04414	3.0
246.05081	2.9
249.03970	10.1
255.06474	3.5
257.04291	2.8
261.03748	2.0
269.04648	1.8
273.03894	40.9
273.06915	3.1
274.04630	15.4
285.03897	6.1
287.05457	12.8
288.05719	2.7
295.06042	2.5
297.04007	2.2
297.07349	2.3
298.04953	2.1
299.05460	4.8
301.07022	3.2
303.04938	42.8
304.05322	5.8
309.07693	2.4
311.05414	7.2
315.04898	5.9
327.04956	14.9
329.06616	4.4
333.06042	3.6
339.04980	6.6
340.05408	1.7
357.05994	47.9
358.06360	5.5
375.07135	21.9
376.07492	2.5
393.08133	58.7
394.08417	7.7
394.13422	1.6
394.20624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39844	1.0
54.67377	1.1
55.01865	2.7
55.05507	14.5
55.19466	0.9
57.03421	2.8
57.07067	16.9
59.04989	2.9
67.05486	7.3
68.99784	1.2
69.03419	4.3
69.07057	55.9
69.80494	3.9
69.80922	4.2
71.04996	1.5
78.43522	0.9
79.05474	8.1
81.07042	9.7
83.01328	4.3
83.04961	2.8
83.08597	12.1
85.06518	6.4
91.05447	8.8
93.07027	34.8
95.04964	3.4
95.08586	9.3
97.06507	5.8
105.03380	1.5
105.07023	10.2
107.04933	1.9
107.08580	30.0
107.09202	1.1
109.06504	3.4
109.10149	9.4
111.08064	1.4
111.11707	6.3
117.06974	1.2
119.08578	5.3
121.06483	2.4
121.10123	19.1
121.10967	1.6
123.04433	1.5
123.08062	2.6
123.11675	2.5
125.05983	1.2
127.07563	2.9
129.06992	1.8
133.06450	1.2
133.10123	3.5
135.08066	3.4
135.11670	100.0
136.12013	4.4
137.09653	1.1
137.13235	1.7
139.03931	1.2
139.11151	7.8
143.08549	1.4
145.10072	5.0
147.08023	1.3
147.11684	1.3
149.05946	2.0
149.09584	3.2
151.03870	1.3
151.07494	1.5
153.05447	12.0
153.12735	6.1
155.03415	1.7
157.04970	1.5
159.11604	1.2
161.05968	2.1
161.09715	2.6
163.07529	2.3
163.11166	13.9
165.05505	1.5
165.09102	1.6
167.07005	5.1
169.04974	10.0
171.07965	1.3
173.09633	2.3
175.07541	4.1
175.11224	1.3
176.08270	1.4
177.05455	2.3
177.09050	5.9
179.03342	3.2
179.06969	2.4
181.08630	2.9
181.12202	1.3
182.10919	1.2
183.02876	7.3
183.06529	2.9
189.09093	3.4
191.10707	2.7
193.04858	1.2
193.08609	3.2
195.02788	1.3
195.09967	1.4
197.04459	1.7
201.09120	2.6
203.07053	5.8
204.07761	1.7
205.08562	4.9
206.05725	1.3
207.06390	1.9
207.10159	4.5
211.09572	1.7
215.10567	1.1
217.08604	2.0
219.10146	15.8
220.10397	1.3
221.08054	5.8
223.09616	4.2
227.10718	1.9
231.06673	1.3
231.09970	1.5
231.13712	1.7
235.09628	10.7
237.11194	14.8
239.09067	13.4
241.10655	17.6
245.11725	1.7
247.13266	4.1
253.10709	1.2
255.06508	1.2
255.10161	2.7
255.13721	2.3
263.12778	1.8
265.14178	5.8
270.12494	2.1
271.13354	2.2
272.13715	1.2
273.14899	3.7
275.12778	1.5
283.13242	4.1
287.12729	2.3
289.14371	4.4
291.15857	4.2
301.14301	5.4
305.13626	1.9
307.15372	1.6
315.15912	1.2
317.17502	1.1
319.15320	3.7
339.19571	4.9
357.20602	12.2
358.20889	1.2
365.83771	1.3
375.21674	4.2
393.17859	1.6
393.22760	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	393.2265
Annotation	Kuhistanol C
Peak:m/z	Relative Intensity
53.03933	3.1
55.01871	5.2
55.05505	6.6
57.07059	9.4
66.51554	2.3
67.05502	18.8
67.86572	2.2
69.03415	10.1
69.07055	40.8
70.14941	12.0
71.04974	4.1
79.05482	13.7
81.07040	26.1
83.01331	5.5
83.04971	6.0
83.08607	5.0
85.02877	2.4
85.06519	2.4
88.09970	2.7
91.05461	17.5
93.07024	34.9
95.04944	11.7
95.08585	24.0
97.06510	6.0
97.10182	2.8
97.74219	2.5
98.20696	2.8
105.03367	9.3
105.07024	29.1
107.08580	44.6
107.09258	4.5
109.02867	2.6
109.06475	8.3
109.10120	26.0
111.04456	3.9
113.05994	4.4
117.06989	6.2
119.04920	3.4
119.08565	18.2
121.06503	8.4
121.09261	3.9
121.10124	62.3
123.04411	7.7
123.08032	10.0
123.11694	40.0
125.05965	4.6
125.09635	4.4
128.06125	3.0
131.08560	5.5
133.06535	4.3
133.10104	26.3
135.08063	8.2
135.10626	3.5
135.11667	74.3
136.12115	2.5
137.05930	7.4
137.09622	6.1
139.03889	21.4
139.07539	3.1
141.05444	7.2
141.06975	3.0
143.08565	7.2
145.10117	14.1
147.08061	3.5
147.11668	10.1
149.05974	6.4
149.09607	4.1
151.03909	11.3
151.07608	6.6
151.11064	3.6
153.05446	9.5
153.09108	4.5
155.08470	3.4
157.10156	5.2
159.11646	9.0
161.06023	3.7
161.09596	19.2
161.13260	2.8
163.07535	7.4
163.11194	7.6
165.05490	8.7
165.09154	3.1
167.03418	4.2
167.07037	8.4
169.04933	22.3
171.08084	4.7
173.09584	12.6
173.13219	2.8
175.07516	5.7
175.11154	19.1
177.05464	10.4
177.09216	2.6
177.12772	15.5
179.07056	3.8
179.10658	6.9
181.08588	4.4
185.09627	3.6
185.13194	3.8
187.11130	2.9
189.05458	2.5
189.09064	29.7
189.12675	3.3
191.06960	4.6
191.09032	2.3
191.10587	12.2
193.04932	5.1
193.08536	2.9
195.10106	3.7
197.13222	3.4
199.11084	3.5
199.14830	4.3
201.09091	3.0
203.10645	31.6
207.06557	3.3
207.10097	13.5
217.08606	10.3
217.15808	2.9
219.10129	8.0
219.73798	2.2
221.08195	3.5
221.11716	9.5
225.12914	3.6
227.10651	3.4
227.14221	2.5
233.08060	6.1
235.09639	35.6
237.11079	4.5
241.15938	2.6
245.11700	2.8
245.15363	3.1
247.09714	3.8
253.10500	16.8
253.15781	3.5
255.13727	4.9
257.12225	2.6
271.05771	2.8
271.13232	4.0
273.14655	12.9
277.19501	3.2
289.14368	21.6
289.17740	5.1
293.18893	4.7
295.20578	7.8
299.16354	6.9
305.13919	2.3
308.16165	3.2
311.20111	11.8
313.21497	14.9
317.17508	7.9
329.21017	19.7
331.22586	8.5
335.18524	5.5
339.19537	21.8
357.16333	5.7
357.20535	74.7
358.20950	7.8
375.21591	100.0
376.21976	7.8
390.82898	2.6
393.12857	4.0
393.18030	3.8
393.22672	64.1
394.23065	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	393.2265
Annotation	CHEBI:70376
Peak:m/z	Relative Intensity
53.03936	3.1
55.05496	11.2
57.03392	2.8
57.07068	45.6
67.05482	9.3
69.89745	18.4
79.05490	4.3
81.07052	17.3
81.38115	3.2
83.04966	47.2
85.06533	9.4
91.05472	7.1
93.07029	9.0
93.21423	2.9
95.08594	10.4
98.21388	6.7
99.04456	4.9
105.07000	20.5
107.08569	15.2
109.02824	4.1
109.06512	3.1
109.10130	11.4
119.08575	10.5
121.10132	35.3
122.10921	6.5
123.08056	14.0
123.11683	33.7
127.07534	8.5
131.08563	4.0
133.10092	14.3
135.04407	6.8
135.08078	4.4
135.11676	8.9
137.02408	3.5
145.10175	3.3
147.08000	6.1
147.11670	3.5
151.03874	6.2
151.07574	5.0
153.05447	4.4
155.67157	3.0
163.07527	10.6
165.09087	7.4
169.04948	9.5
175.07530	6.5
175.11169	11.5
179.03316	9.7
189.09125	7.8
191.07016	3.4
192.07701	4.1
193.08597	11.1
201.09221	3.1
203.07109	3.0
205.65540	3.0
209.08099	4.6
209.11696	5.5
210.08467	4.1
211.09607	7.3
213.12766	3.9
217.08659	16.7
217.52203	3.0
219.10188	6.7
231.13982	3.9
235.09602	53.5
237.11237	10.4
241.12463	3.5
243.10457	3.2
253.10674	100.0
254.11119	5.4
255.13873	3.9
261.11060	3.3
263.12665	3.3
273.14893	10.3
291.15482	3.3
293.18915	3.9
301.14359	5.8
311.19949	5.7
315.15973	6.7
315.19510	5.2
317.16449	3.4
321.18372	5.3
329.21075	17.8
339.19540	13.6
357.20538	60.1
358.21106	3.7
375.16910	4.8
375.21594	67.5
376.22235	3.2
393.22485	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2265
Annotation	Kuhistanol C
Peak:m/z	Relative Intensity
54.39657	3.0
55.05488	9.7
57.07059	12.7
65.14319	3.1
67.05495	17.1
67.56335	2.8
69.03410	9.2
69.07056	47.6
69.50661	34.0
71.04982	7.5
79.05475	9.3
81.03382	4.5
81.07041	21.9
83.01325	27.3
83.04977	4.3
85.02891	5.7
91.05475	16.9
93.07040	28.4
95.04957	8.8
95.08594	25.8
97.06513	11.4
105.06998	38.9
107.04962	3.7
107.08585	30.1
109.06503	10.7
109.10143	17.8
111.08116	4.4
113.06004	7.1
117.06985	6.6
119.08556	13.9
121.06461	8.3
121.10145	28.6
123.04437	10.2
123.08045	8.9
123.11680	10.5
125.02298	5.2
125.09553	5.0
129.07043	5.7
130.07713	5.2
131.08559	10.1
133.06432	3.5
133.10110	15.8
135.07996	8.0
135.11693	29.6
137.09584	7.6
139.03851	5.8
139.07474	5.5
140.42834	3.4
141.06938	4.1
143.08551	7.0
145.10071	23.9
147.08009	6.2
147.11639	14.3
149.09618	16.1
151.03926	5.1
151.11134	4.9
153.05441	8.5
155.03346	7.2
155.07001	4.3
155.08582	4.9
157.10101	12.2
159.08084	6.5
159.11702	7.9
161.06084	4.1
163.11133	11.6
165.05484	4.2
165.09035	7.3
169.04948	70.4
169.08669	7.6
169.10010	5.3
171.08051	8.3
171.11624	3.7
173.09593	100.0
173.13235	8.7
174.09985	5.5
175.07558	6.1
175.11147	27.3
177.05457	7.8
178.06267	5.7
179.10660	7.5
183.06549	3.8
183.10176	9.3
185.05992	4.4
185.09685	4.9
185.13298	4.4
187.07593	5.1
191.06924	3.9
193.04932	5.9
193.08621	10.0
195.06375	6.6
195.10156	9.5
197.09669	4.8
201.09106	5.5
203.10669	6.9
207.10059	4.3
209.11652	5.2
211.11269	5.1
213.07373	4.7
213.12732	6.7
215.10846	3.4
217.12245	6.0
219.10123	6.2
227.10725	6.9
229.12251	16.6
232.98735	4.2
233.08069	14.2
241.08585	9.6
241.12424	4.2
243.13782	8.9
247.09671	11.6
253.10568	9.6
255.13898	7.4
261.14859	4.7
269.11810	7.3
279.04892	4.1
283.13174	16.7
289.14282	59.9
297.14856	6.8
299.16315	4.7
305.13617	4.7
307.15329	30.3
311.20065	11.1
313.21808	5.2
315.15860	4.8
321.18558	6.3
339.19528	61.4
340.19464	5.0
357.16513	6.2
357.20581	76.6
358.20975	6.8
375.17578	9.4
375.21701	52.5
376.22333	4.3
393.18616	8.6
393.23279	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	393.2264
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
55.01866	1.2
55.05506	5.5
57.03429	2.2
57.07071	12.2
59.05001	1.6
66.88715	1.0
67.05496	6.2
69.03426	2.0
69.06695	2.1
69.07058	32.9
69.71186	9.1
70.90500	1.0
71.04980	1.6
73.61456	0.9
76.86662	1.0
79.05482	6.5
81.07047	7.9
82.71005	1.0
83.01331	3.5
83.04967	2.6
83.08624	2.3
85.06530	4.1
91.05448	6.3
93.07031	24.0
95.04974	3.5
95.08598	8.9
95.39143	1.0
97.06528	2.9
105.07020	7.0
107.04872	1.0
107.08577	24.8
109.06475	1.8
109.10149	13.6
111.11710	6.4
117.06998	1.2
119.04938	1.1
119.08561	4.1
120.19927	0.9
121.06527	1.6
121.10122	11.6
123.11674	1.9
124.07514	1.0
127.07560	2.2
127.11230	1.8
131.08569	2.3
133.10126	3.5
135.08093	1.8
135.11673	100.0
136.12029	3.6
139.11166	4.7
145.10095	3.7
147.08044	1.3
149.09619	1.2
151.07596	1.9
153.05444	9.3
153.12785	1.7
157.10094	1.4
161.05962	1.5
163.07545	3.5
163.11174	16.1
167.07068	3.4
169.04935	4.7
173.09598	1.5
175.07567	2.6
175.11197	1.2
177.05435	1.5
177.09146	3.0
179.03375	2.8
179.07098	1.5
181.08632	1.1
181.12248	1.2
183.02837	8.1
183.06479	2.0
189.09122	2.7
191.10648	2.3
203.07054	3.3
203.10609	1.4
205.08662	3.0
206.05826	1.1
207.10207	2.7
217.08664	2.2
219.10144	13.2
219.12184	1.5
221.08118	5.4
223.09688	3.3
229.12263	1.1
231.10141	2.5
235.09628	4.1
237.11176	11.9
239.09114	11.9
241.10623	11.1
245.11674	1.3
249.11198	1.3
255.10323	2.5
257.11731	2.2
271.13156	1.4
273.14883	3.5
275.12738	1.7
289.14435	2.7
291.15811	3.2
301.14240	2.0
318.96970	1.3
319.15152	1.3
321.18301	1.1
339.19559	4.5
357.20609	10.8
358.20718	1.1
375.21527	5.1
393.22693	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	393.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34163	0.9
55.05511	2.5
57.07059	2.4
64.41086	1.0
67.05487	3.6
69.03413	4.0
69.07043	3.8
70.54923	3.0
71.04984	7.9
78.89421	0.8
79.05466	3.1
81.07044	8.3
81.57418	0.9
83.01323	2.9
83.04973	2.1
83.08607	1.2
85.06529	1.1
91.05476	3.8
93.07040	6.5
95.08582	5.2
97.02866	5.8
97.06496	2.3
105.03410	1.3
105.07018	66.6
107.08587	4.5
109.06480	1.1
109.10149	2.3
111.04436	1.1
111.08080	6.7
113.02412	1.0
117.06998	1.9
119.04914	1.5
119.08555	5.7
121.06484	2.8
121.10135	2.9
123.11701	1.9
130.07790	1.9
131.08556	17.3
133.10094	2.9
135.08038	1.3
135.11682	3.5
137.05992	1.9
139.07513	3.7
143.08527	2.4
145.10101	16.7
146.10901	14.1
147.11690	12.8
149.05978	13.2
157.08586	2.0
157.10106	2.3
163.11136	1.8
167.06993	4.3
167.08366	0.9
169.04953	2.2
169.08572	3.0
169.10027	1.3
171.08086	1.6
173.09602	13.0
175.11174	5.9
182.10818	1.3
185.08070	100.0
185.13258	1.9
186.08421	3.3
189.09103	3.0
191.10652	31.9
193.12201	10.8
195.11774	2.3
197.13344	2.1
199.11105	1.1
203.06990	1.7
213.12773	4.7
215.13898	1.0
217.08482	1.1
223.11327	1.4
241.12195	1.8
243.13506	1.6
249.12584	1.1
253.10704	2.7
257.58322	1.0
259.13297	21.6
260.13599	1.7
261.02289	1.0
273.14737	1.3
277.14493	1.5
283.16937	2.1
284.03171	1.0
285.18515	1.7
287.12646	1.1
311.16098	1.2
313.17905	3.7
329.17380	5.2
331.18985	1.7
337.17841	1.7
347.18417	1.2
357.16858	5.2
357.20834	2.5
375.17825	3.5
375.22675	4.4
393.23901	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	393.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84193	0.8
53.03932	0.9
55.05498	2.9
57.07052	1.5
57.85284	0.8
59.77787	0.8
67.05496	2.5
69.03402	4.1
69.07048	2.4
71.00378	1.6
71.04976	6.6
74.24772	1.0
79.05482	2.6
81.07023	3.2
83.01309	1.5
83.04968	1.7
83.08592	1.2
85.02874	0.9
91.05471	3.8
93.07031	5.9
95.04958	1.0
95.08597	2.8
97.02888	5.2
97.06526	3.3
99.71883	0.8
103.05447	1.1
105.03383	1.0
105.07012	57.7
107.08607	3.5
109.06557	1.4
111.08059	7.8
117.07012	2.4
119.04911	1.4
119.08604	6.1
121.06510	2.0
121.10114	3.6
123.07995	0.8
130.07784	2.3
131.08536	16.9
132.08766	1.2
133.10120	2.0
135.11649	3.2
137.05949	1.3
139.07521	3.5
139.54588	0.8
142.04222	0.8
143.08563	2.0
145.10109	20.9
146.10901	13.7
147.11659	12.2
149.05960	12.8
149.09567	1.4
155.07016	1.2
155.08499	1.0
157.08658	1.4
157.10098	2.0
159.08228	1.0
163.11165	1.6
167.07048	5.0
169.04948	5.3
169.10075	1.5
171.08066	1.3
173.09590	11.5
175.11140	6.3
180.09290	1.3
181.44019	1.0
182.10872	1.3
183.11656	1.3
184.31438	0.9
185.08064	100.0
185.13301	2.3
186.08409	2.4
189.09135	2.0
191.10648	30.7
191.40240	1.0
192.11130	1.1
193.12224	7.4
195.11638	2.4
197.13300	2.6
209.08022	1.4
213.12779	4.1
215.14258	1.0
217.08585	1.0
219.10112	2.2
225.12695	1.1
231.13864	1.2
237.11241	2.0
239.09064	1.6
241.12383	2.1
257.11734	2.5
259.13269	24.8
260.13635	1.5
277.14282	2.2
283.16928	1.1
285.18506	1.4
287.12766	1.3
295.16870	1.1
309.14621	1.0
313.17868	2.6
329.17456	5.2
331.19128	1.4
347.18417	1.0
357.16879	6.4
357.20767	3.3
375.17932	3.5
375.22046	2.5
393.24207	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04289	0.3
55.05500	0.4
57.03416	0.3
66.53991	0.3
67.05478	0.4
68.05031	1.8
69.82407	1.3
69.82832	0.6
70.06553	0.4
72.08125	0.3
77.46706	0.3
79.05470	0.5
81.07034	0.7
83.08574	0.3
85.02865	0.4
85.06500	0.3
91.05462	0.3
93.07020	0.6
93.14884	0.3
95.04972	0.3
95.08569	1.1
97.02862	0.3
107.04919	0.3
107.08578	0.6
109.06514	0.4
109.10143	0.5
111.04414	0.6
121.10099	0.9
123.11689	0.3
124.05042	0.7
125.05990	0.4
129.05424	0.4
130.04948	0.8
137.05954	0.9
140.03403	0.8
147.06577	0.3
149.04579	0.9
151.03871	0.6
166.07294	0.5
172.06035	0.7
173.01779	0.7
177.16356	2.0
179.10652	0.4
189.06425	0.9
195.17413	1.1
197.08069	0.3
197.11757	0.9
201.06429	1.0
202.07228	2.0
203.07968	1.5
204.08781	6.2
213.18573	0.3
215.07939	1.7
216.08784	100.0
217.09421	3.8
218.10359	5.0
225.06409	9.9
226.07184	3.6
227.08022	1.0
228.08768	1.2
229.09555	0.9
230.10356	9.2
231.19513	1.0
240.08778	53.2
241.09438	3.0
242.10416	0.5
246.09848	6.4
255.09967	0.5
258.09860	2.5
261.03876	0.4
268.08273	4.5
272.11386	4.1
283.09320	1.4
286.09354	0.5
297.60391	0.3
300.10889	53.4
301.11169	1.2
311.08792	0.8
315.12122	1.0
317.13376	0.3
333.13004	3.4
343.11499	2.5
361.12521	6.7
375.14127	6.4
393.15137	36.6
394.15500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.081
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
55.61664	0.8
56.94383	0.8
57.05370	0.9
58.99418	0.8
71.52685	1.7
85.20764	0.7
95.08634	1.1
105.03365	1.7
106.05039	0.9
109.30332	1.1
132.87344	0.9
153.01840	3.4
177.16325	1.7
203.03394	2.0
215.03462	1.1
217.04906	1.4
225.05499	2.0
231.02777	2.4
231.06584	3.8
233.04401	3.0
241.04901	1.7
245.04437	4.4
246.05170	4.5
249.03868	6.8
253.04813	2.5
256.03635	2.3
257.04510	3.4
259.08359	2.2
260.03137	1.9
261.03815	1.5
269.04523	3.7
270.04962	1.2
273.03903	56.9
274.04660	19.4
280.03720	1.2
285.03891	11.5
287.05432	15.2
293.04416	1.8
295.05902	1.8
297.03918	2.2
298.04755	2.2
299.05472	5.2
301.03732	1.6
301.07047	5.2
303.04944	53.4
304.05267	1.3
311.05484	7.4
315.05057	7.7
327.04944	29.3
329.06424	6.9
333.05960	4.9
339.04965	6.0
357.05997	70.1
358.06375	3.5
375.07059	32.3
375.11835	1.9
376.07443	1.5
393.08139	100.0
393.13757	6.1
394.08566	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	393.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89036	1.3
70.75800	5.2
77.92406	1.2
81.07050	1.6
82.00211	1.2
121.02825	1.4
151.03931	1.8
153.01762	1.8
167.03445	1.4
177.16414	2.2
178.81732	1.2
203.03435	2.1
205.04834	1.5
213.05504	2.3
213.18379	1.4
216.08788	5.9
217.04875	2.0
227.03360	1.6
228.04036	2.4
231.02901	3.8
231.06549	1.8
233.04466	4.5
240.08739	3.6
241.04922	3.3
243.02908	1.6
245.04413	6.0
246.05257	5.3
249.03900	10.9
256.03638	4.2
257.04410	3.9
260.03174	2.8
261.03955	3.0
269.04477	4.2
271.06091	1.3
273.03900	72.9
274.04639	28.1
274.07428	2.6
275.05368	1.6
281.04422	1.8
283.05923	2.2
285.03934	15.3
287.05484	20.2
293.04446	2.1
295.06082	2.4
297.03989	4.4
298.04578	2.9
299.05530	4.9
300.10773	3.2
301.03964	1.9
301.06937	8.7
303.04944	69.6
304.05350	3.4
304.29669	1.6
311.05411	9.2
313.03522	2.7
315.04941	8.2
319.08899	1.5
321.03943	1.4
327.04990	25.5
329.06500	8.8
333.06082	5.4
339.04846	7.9
357.05988	82.4
358.06235	3.5
375.07062	44.7
376.07230	1.9
393.08133	100.0
394.08521	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	393.0809
Annotation	CHEBI:82806
Peak:m/z	Relative Intensity
55.01853	1.8
55.05486	2.7
57.03449	1.4
57.07074	1.4
58.99559	1.4
61.53337	1.2
67.05490	2.4
69.07034	2.7
70.06563	2.1
70.27363	7.1
79.05458	2.7
81.07014	5.7
85.02899	1.5
85.06541	2.7
85.44028	1.2
86.09676	3.3
91.05408	2.1
93.07014	4.3
95.08580	5.5
97.02892	1.5
97.06520	2.7
97.98119	1.7
105.07040	2.0
107.08584	4.0
109.10101	2.5
116.01643	5.4
119.08536	3.8
120.08036	2.8
121.02843	1.5
121.10098	1.8
123.04424	1.6
130.11870	1.5
135.11661	3.0
144.01137	1.8
149.02307	2.5
153.01779	5.2
157.06606	1.7
161.13271	3.2
162.02203	7.2
163.03889	1.5
179.03468	1.7
181.08536	1.5
187.03752	2.0
203.03342	5.2
213.05414	1.6
213.18414	2.5
215.03531	1.5
217.04913	3.5
225.05368	2.5
229.04924	3.3
231.02803	8.3
233.04443	4.4
237.05373	1.6
241.04950	3.3
243.02925	1.7
245.04372	12.2
245.08041	1.7
246.05214	8.1
249.03851	10.7
251.86624	1.5
253.04759	2.6
255.06390	2.3
256.03598	3.8
257.04385	3.3
259.02371	5.5
260.03207	2.5
261.03845	10.8
269.04352	5.2
269.08047	1.6
271.05936	2.0
273.03894	77.4
274.04645	25.0
281.04242	2.1
283.05917	3.3
285.03922	14.3
287.05457	23.3
291.04950	2.3
292.18848	1.6
295.05945	5.1
297.03964	3.6
297.07458	2.8
298.04556	2.6
299.05463	7.0
301.03705	3.0
301.06967	17.2
303.04950	60.2
304.05209	2.8
311.05460	9.8
314.03870	1.5
315.05054	11.2
327.01047	2.2
327.04926	44.0
328.05560	2.2
329.06494	8.4
333.05859	7.5
339.04984	10.3
343.08151	8.8
357.05966	100.0
357.20413	2.1
358.06116	2.1
375.07043	54.6
375.11719	2.8
375.17856	2.0
393.08044	95.7
393.19174	4.2
394.08453	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31876	5.9
66.36641	6.7
70.31641	12.3
70.32062	15.1
118.39749	5.8
153.81877	6.3
393.05878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.081
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
51.74472	0.5
55.01864	0.8
55.58161	0.5
59.68563	0.6
68.99772	0.7
69.03413	1.0
70.07724	2.8
79.01846	1.7
79.05495	0.6
81.03396	0.7
81.68945	0.5
83.51052	0.5
93.03373	0.8
95.01300	0.9
98.20776	0.7
107.01318	1.0
107.04930	0.5
107.97848	0.6
116.25919	0.5
121.02874	1.1
139.03902	0.5
153.01842	1.6
163.03850	0.8
164.04523	0.5
167.03363	0.8
172.59700	0.5
175.03973	0.6
187.03860	1.4
203.03398	1.4
204.04073	0.8
205.04993	0.7
213.05415	1.2
215.03258	0.8
217.04964	3.0
219.02855	1.3
228.04095	0.8
229.04921	1.7
231.02870	5.9
231.06418	0.8
232.03644	0.7
233.04430	3.8
241.04945	2.4
245.04480	5.1
246.05153	3.6
249.03862	8.4
253.04846	1.2
256.03586	1.0
257.04407	2.2
260.03033	0.9
261.04034	1.7
265.04932	1.0
269.04477	2.0
270.05139	0.9
271.05927	1.6
273.03906	60.7
274.04654	19.2
274.07700	0.6
275.05289	1.7
281.04239	0.7
283.05997	1.0
285.03909	8.7
287.05450	18.8
295.05939	2.2
297.03961	3.1
298.04694	2.3
299.05496	7.0
301.03415	1.6
301.07034	6.1
303.04962	52.5
304.05240	1.9
311.05466	9.0
313.03555	0.9
315.04971	8.1
327.04941	35.7
328.05283	1.8
329.06473	5.4
333.05988	4.5
339.05017	9.2
357.06000	58.9
358.06369	3.0
375.07047	25.3
376.07455	1.4
393.08118	100.0
394.08557	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	392.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69162	1.0
53.03937	2.1
55.01874	1.2
55.05498	3.1
57.03437	1.2
61.02912	1.4
67.05490	9.3
69.03411	3.9
69.07053	2.2
69.87160	4.7
69.87566	1.3
71.04980	6.4
72.68501	0.9
73.97881	0.8
79.05482	18.5
81.07046	21.3
83.04958	1.6
83.08605	0.9
83.28230	0.9
85.02888	7.6
85.06544	2.0
86.09691	4.1
91.05470	7.9
93.07032	46.4
95.04942	3.4
95.08593	13.4
97.02892	2.1
97.06486	1.6
98.20747	1.7
105.07008	5.5
107.04974	1.3
107.08578	13.4
109.06493	1.0
109.10101	1.3
113.05976	1.5
117.07004	5.9
117.07699	1.0
119.08572	2.9
120.08096	4.2
121.06485	15.6
121.10144	4.0
123.04394	1.0
123.08025	2.3
129.07019	0.9
131.08524	5.7
133.10115	12.4
135.08055	12.9
135.11679	59.4
136.11971	1.0
137.05968	1.0
139.07529	10.1
147.11674	1.8
149.02328	3.8
149.09618	1.1
149.13228	8.8
150.02684	1.4
153.09085	7.6
159.11688	15.4
160.11978	1.3
161.05830	1.4
165.12709	1.7
171.08066	0.9
177.12723	37.3
178.13089	1.6
183.13680	1.1
195.13788	100.0
196.14133	3.7
201.35010	0.9
213.14835	38.3
214.15256	1.1
233.16463	3.3
243.61424	0.9
245.04431	3.7
246.04706	7.1
247.05029	0.9
332.72342	0.9
373.89728	1.0
375.18076	1.0
393.08447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26664	1.0
53.03934	1.3
54.56764	1.1
55.01851	1.6
55.05496	2.2
55.28551	1.0
56.31502	1.1
57.03423	1.9
57.07064	6.6
61.02914	3.3
67.05495	5.6
69.03418	5.1
69.07056	7.2
70.06567	2.7
71.04950	1.5
71.13372	3.4
73.02882	1.8
79.05477	27.3
79.05933	1.4
81.03420	2.7
81.07043	16.0
82.66261	1.1
83.04969	8.1
83.08633	1.8
83.23351	1.0
85.02896	25.7
85.06530	18.4
86.09693	6.1
87.04505	1.5
89.40472	1.1
91.03931	1.4
91.05452	5.6
93.07031	35.0
95.04958	2.5
95.08586	5.8
96.08913	1.4
97.02878	4.9
97.06522	10.0
98.78664	1.1
99.04422	2.1
105.07021	4.9
105.44848	1.2
107.04939	2.8
107.08583	15.2
109.02860	3.2
109.10168	1.6
111.08101	1.7
117.07021	2.0
119.08575	2.3
120.08104	5.6
121.06480	3.5
121.10131	9.4
125.05967	17.0
125.09652	1.5
127.03889	5.3
133.10115	10.9
135.08102	2.1
135.11674	83.2
136.12013	2.1
139.07536	9.1
144.13832	1.2
145.04921	4.7
149.02319	4.9
149.13242	13.5
150.02615	2.8
153.05638	1.2
153.09094	3.0
153.12685	2.8
159.11700	5.2
167.14258	1.8
177.12717	18.9
180.08646	2.2
195.13783	100.0
196.14198	1.7
200.17944	1.1
213.14836	7.4
227.08482	1.2
231.06319	2.8
233.16454	1.6
237.00671	1.2
238.48085	1.1
273.03967	2.8
278.59628	1.0
303.04932	1.6
357.06076	2.4
375.07016	1.7
393.07922	2.4
393.18671	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	392.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01856	4.8
55.05494	2.5
57.07057	4.1
61.02920	2.5
62.06070	3.4
67.05487	20.8
69.03430	12.0
69.07034	7.7
70.06558	2.9
70.88132	6.1
71.04973	20.2
71.08614	4.5
79.05478	16.7
80.79188	2.2
81.03387	3.7
81.07038	48.3
83.04954	4.0
83.08594	5.3
85.02891	12.2
85.06526	9.3
86.09691	33.6
87.04437	7.0
91.05452	16.0
93.07026	44.3
95.04933	8.2
95.08591	26.3
97.02847	5.5
97.06499	10.7
98.21339	2.7
99.04458	3.8
99.08094	5.6
105.06998	8.2
107.04893	2.5
107.08561	20.1
109.06495	4.9
109.10126	4.2
111.04408	2.7
111.08066	5.0
113.05948	2.1
117.06985	13.3
119.08574	7.3
121.06489	5.4
121.10098	8.8
122.04709	2.3
123.04412	2.3
123.08001	3.3
124.03930	4.2
125.09652	3.1
127.03853	6.7
131.08525	19.0
133.10092	19.4
135.08031	8.1
135.11682	50.9
136.11943	3.0
137.09515	2.8
147.11647	5.4
149.02342	18.3
149.09554	7.2
149.13257	16.3
150.02637	8.6
151.11296	3.5
153.09056	3.2
159.11664	40.6
165.12730	4.0
167.10573	3.3
173.09584	3.5
177.09164	3.2
177.12712	66.4
195.13773	100.0
196.14040	3.0
199.17987	12.2
207.62682	2.3
213.11224	4.3
213.12799	4.8
213.14815	84.0
227.17476	5.4
243.08725	8.6
303.04764	3.5
349.12622	4.4
357.05759	3.4
375.18073	3.1
378.15353	4.5
392.17157	4.1
393.11459	25.2
393.17654	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	392.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00368	0.7
55.01861	1.7
55.05495	1.0
56.05015	1.3
57.03429	13.1
57.07054	2.1
58.74578	0.7
58.99572	6.4
65.03921	1.1
67.05503	1.9
68.31260	0.6
69.78807	1.5
69.79207	5.5
71.08611	2.1
76.02219	46.9
76.03984	1.9
81.07034	1.1
83.04959	1.1
83.06084	2.4
84.04494	26.5
84.08127	6.9
85.02880	1.8
85.06531	21.9
86.09699	0.7
86.99026	2.1
87.02662	2.0
88.02196	2.1
89.00613	3.0
89.04219	0.7
91.05474	1.4
95.04948	0.9
97.01088	0.8
97.02931	0.8
98.20737	1.3
99.02675	5.3
99.05540	1.1
102.05527	1.0
107.04919	0.9
112.03931	1.7
115.05734	0.8
116.01671	13.5
116.05270	0.9
117.03702	91.5
118.04012	1.0
123.04406	0.8
125.04181	3.1
129.06567	4.9
130.04996	14.8
134.62038	0.7
141.04805	0.8
142.03181	3.2
142.06825	7.8
142.08609	1.3
143.05258	5.1
144.01131	7.2
147.04388	2.5
149.02344	9.2
149.05846	0.8
150.02637	4.1
160.07899	18.9
162.02194	27.1
162.03549	1.6
163.03889	1.6
167.03387	1.2
167.07027	1.0
168.03699	0.9
170.02647	1.3
179.03307	1.6
179.04826	21.0
187.05322	2.2
212.09149	1.1
213.07503	1.0
228.06764	0.9
233.05824	4.9
245.09526	100.0
246.07811	8.6
246.09917	1.7
263.10577	12.8
271.11038	0.9
286.99927	1.0
299.10611	1.7
317.11603	15.1
374.13867	1.2
375.12198	0.8
392.14868	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	391.2322
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.01870	2.3
55.05492	9.9
57.07062	7.7
58.64295	2.1
59.04970	2.5
67.05487	19.3
69.03410	6.6
69.07063	12.3
69.71694	19.0
71.04969	7.5
71.08610	3.6
74.98198	2.1
77.12973	2.1
79.05485	6.3
81.03417	3.3
81.07044	28.7
83.04964	6.8
83.08593	7.2
85.02895	8.2
85.06537	7.4
91.05467	8.5
93.07037	18.4
95.04954	6.9
95.08596	41.0
97.06503	2.6
105.07050	13.1
105.07619	2.2
107.04926	4.2
107.08582	22.9
109.06506	8.8
109.10144	30.6
111.08051	8.4
118.06548	3.2
119.08583	40.1
121.06478	2.3
121.10197	10.6
123.08051	8.7
123.11685	29.9
125.09618	5.8
127.03905	2.8
133.10144	19.9
135.11662	28.5
137.05989	7.0
137.09570	12.4
139.11194	2.4
147.11699	5.4
149.02336	20.2
149.13237	10.7
151.14757	6.0
153.12692	3.5
155.10609	3.6
161.05998	16.1
162.25304	2.1
167.03377	3.5
167.07002	6.8
170.18388	2.5
175.14812	53.9
181.08569	4.2
189.09036	7.4
193.15868	54.3
207.10139	7.2
211.16910	100.0
229.18132	2.6
287.01578	2.6
306.63480	2.3
351.11539	2.3
391.08044	3.7
391.21094	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	391.232
Annotation	Sammangaoside B
Peak:m/z	Relative Intensity
55.05498	7.2
57.03419	4.3
57.07058	7.6
58.32482	2.4
59.04963	2.7
61.01130	7.4
63.96643	1.9
65.03938	2.4
67.05487	8.2
69.03411	6.7
69.07063	5.3
70.06579	25.6
71.04972	3.2
71.08609	10.7
71.77041	3.4
71.77407	2.1
72.08141	5.1
74.22094	2.0
79.05480	6.5
81.03357	3.4
81.07056	14.6
83.04964	7.6
83.08611	3.6
84.04502	2.9
84.08102	5.4
84.08895	2.2
84.16522	2.3
85.02901	21.2
85.06532	8.0
86.09673	6.8
87.04446	2.5
90.10509	2.2
91.05477	10.3
93.07045	19.5
95.04967	13.9
95.08593	23.3
96.53226	2.3
96.53829	2.1
97.02870	7.4
97.06525	3.1
97.10133	3.0
99.04504	2.9
99.08084	40.7
105.07005	17.2
107.04907	6.3
107.08583	25.2
109.06477	7.5
109.10155	10.9
110.07185	2.1
111.04436	5.0
111.08019	4.0
118.06844	20.9
119.08567	33.4
120.08037	3.2
121.02850	7.6
121.10120	8.7
123.04462	3.9
123.08089	3.1
123.11701	6.0
127.03893	5.1
129.10297	2.7
131.04944	2.2
131.08553	3.1
133.10107	67.2
135.04367	4.5
135.11671	28.4
137.05956	7.5
137.09589	14.5
139.03903	3.5
141.09102	5.8
143.07050	2.8
145.04906	2.8
147.04367	5.2
147.11646	5.0
149.02327	100.0
149.05966	3.8
149.13174	3.3
151.03860	2.7
155.10709	4.4
163.03879	8.7
163.14845	14.0
167.03416	14.1
167.07037	8.9
171.02045	10.7
173.13287	2.7
175.14792	58.9
181.15785	2.9
183.11256	3.0
192.44725	2.5
193.08563	2.6
193.15892	44.8
193.27835	2.0
199.37936	2.2
211.16920	64.7
212.17250	2.8
213.07593	2.8
228.13336	5.5
229.17955	58.6
238.18102	2.5
244.10806	3.7
252.19638	2.4
270.20615	2.7
274.12057	6.1
288.21710	15.6
391.08160	12.1
391.15527	11.5
391.19485	12.8
392.08432	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	391.2322
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.05497	16.1
57.07052	8.6
59.04990	3.6
67.05486	21.1
69.03400	9.9
69.07056	24.2
69.92651	18.9
71.04967	11.0
71.08635	3.3
79.05470	8.1
81.07047	41.3
83.04958	7.0
83.08611	12.0
85.02895	12.7
85.06510	8.7
90.40634	3.3
91.05455	10.2
93.07020	27.6
95.04946	5.9
95.08588	57.5
97.10136	5.9
99.04453	3.5
100.11224	3.2
105.07005	19.4
107.04945	3.9
107.08575	33.2
109.06506	11.7
109.10125	46.1
111.08037	6.2
116.10812	3.4
119.08563	65.5
121.10120	14.5
123.08035	6.5
123.11684	40.6
125.09651	5.6
130.06509	8.6
133.10118	22.8
135.11681	46.6
137.09634	15.3
147.11665	8.0
149.02306	25.4
149.13229	18.2
151.14771	5.5
153.12740	4.2
155.10645	5.3
175.14799	97.6
193.15851	100.0
194.16153	3.5
211.16895	89.0
230.11708	13.1
262.22925	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	391.2108
Annotation	Denticulatolide
Peak:m/z	Relative Intensity
55.05482	1.4
57.03429	3.1
57.07066	11.0
62.49502	0.5
67.05488	3.0
69.03406	1.3
69.07040	0.8
70.08020	2.4
70.08437	0.9
79.05456	2.3
81.07034	3.1
83.01317	5.9
83.04942	0.8
83.08604	0.7
85.06523	4.2
91.05471	4.5
93.07034	5.5
95.04966	3.1
95.08590	7.3
98.21326	0.8
99.04420	2.1
105.03392	5.0
105.07016	8.2
107.08574	8.9
109.06477	2.4
109.10149	4.3
111.08028	2.3
117.06983	1.2
119.04910	1.1
119.08558	1.6
121.06474	1.2
121.10137	8.9
123.04369	0.6
123.08003	0.9
123.11659	0.8
127.07530	0.6
128.73143	0.5
130.07765	0.8
131.08514	2.1
133.06512	0.7
133.10091	7.5
135.08017	3.7
135.11678	1.2
137.05928	1.2
137.09604	1.9
138.36214	0.6
139.03839	1.5
143.08504	1.6
145.06390	1.0
145.10104	5.2
147.07979	1.0
147.11662	0.6
149.02296	1.7
149.05925	1.3
149.09619	3.5
153.05440	4.1
155.08574	0.7
159.08058	1.2
161.05975	0.8
161.09520	1.3
162.06750	1.5
163.07500	4.8
163.11171	3.0
163.12267	0.6
165.05470	2.8
165.06796	0.7
166.05823	1.1
167.03395	1.2
167.05888	1.0
171.08014	1.3
173.09625	4.2
175.07484	1.0
175.11142	3.1
176.08270	1.7
177.05473	5.0
177.09071	13.0
179.03394	1.9
179.06966	1.8
181.08528	1.2
182.10716	0.6
183.11671	0.7
185.13280	0.7
190.06136	0.6
191.07005	2.3
191.10648	7.3
197.04488	1.1
199.11098	0.8
201.09085	5.7
203.10593	1.0
204.07819	2.9
205.04927	0.6
205.08546	0.8
207.06522	1.1
209.07957	0.8
217.08708	0.6
217.12218	1.5
219.10132	77.6
220.10509	3.3
227.10738	0.8
229.12158	0.7
231.10051	0.8
233.11646	0.9
235.09544	0.7
237.11176	100.0
238.11497	3.1
241.12321	0.6
243.10229	0.8
243.13731	1.7
245.11688	3.8
247.09497	0.7
251.12813	1.1
255.10268	0.9
263.12738	12.9
265.14545	0.6
271.13287	2.1
273.14841	1.3
283.13196	3.4
285.14871	0.7
289.14297	4.1
289.17096	1.3
297.14764	3.1
301.14420	2.1
303.15897	1.3
307.15277	8.3
307.18130	1.2
308.15775	0.6
311.16437	0.9
313.17798	0.8
315.15903	3.6
317.13870	0.7
321.18021	1.1
329.17450	0.9
331.18857	0.9
337.17831	1.3
339.19519	3.8
343.19052	0.9
355.19025	3.5
357.20544	79.1
358.20972	5.2
373.20050	8.6
374.20877	2.2
391.21112	39.1
392.21518	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	391.2107
Annotation	3-Acetyl-14,15-epoxy-xeniolide H
Peak:m/z	Relative Intensity
51.02343	0.5
53.03895	1.6
53.04113	0.4
55.01822	1.7
55.05458	6.5
57.03384	2.5
57.07066	31.3
57.07319	1.7
58.07369	0.8
61.75595	0.4
65.03897	0.6
65.17233	0.4
67.05493	17.6
67.05835	0.8
68.05771	0.4
69.03420	2.5
69.07057	5.9
69.55859	2.1
69.56287	2.0
71.04927	2.0
77.03897	0.7
79.05475	4.3
81.07048	9.8
83.01327	9.5
83.04979	2.4
83.08598	4.8
85.02843	1.2
85.06525	7.9
86.06818	0.4
91.05464	7.0
91.96153	0.4
93.07031	13.7
95.04960	7.1
95.08590	7.7
96.45103	0.5
96.50883	0.4
97.02847	0.8
97.06456	1.9
99.04440	3.0
105.03375	32.1
105.04406	0.9
105.07010	8.1
106.03669	0.5
107.04886	1.7
107.08572	12.7
109.06497	4.7
109.10137	37.4
110.10416	1.2
111.04376	1.4
111.08063	4.7
113.05951	0.4
113.09603	0.5
117.06995	2.4
119.04854	1.8
119.08558	4.1
121.06506	2.7
121.10129	9.6
123.00739	1.6
123.04382	0.7
123.08038	3.0
123.11593	0.9
125.02318	1.2
125.05901	1.6
125.09557	1.5
127.03894	0.7
127.06721	0.5
127.07536	5.4
127.11111	0.7
129.06900	1.1
130.07712	0.7
131.08548	4.7
133.06419	1.3
133.10109	6.4
135.04399	1.3
135.08035	4.6
135.11685	3.9
137.02251	1.7
137.05952	2.8
137.09596	4.5
139.03860	1.2
139.07516	0.5
141.05412	0.8
142.07767	0.7
143.08487	1.8
145.06430	0.9
145.08998	0.7
145.10101	12.4
147.07977	1.6
147.11649	2.0
149.02264	1.8
149.06027	2.4
149.09599	6.0
151.03886	1.1
151.07462	1.3
153.05437	13.4
153.06680	1.0
155.06981	0.6
155.08484	0.8
155.10580	0.5
156.09276	0.4
157.10072	1.0
158.07199	0.8
159.08084	2.1
159.11603	1.2
161.05914	1.9
161.09544	1.6
161.13211	0.5
162.06683	0.6
163.07506	4.2
163.11166	9.1
165.05463	2.5
165.09041	1.2
166.05731	0.5
167.03319	1.2
167.07030	1.0
169.10036	0.6
171.08035	2.3
171.11700	0.7
172.08702	0.5
173.09592	6.2
173.13138	0.8
175.07513	3.2
175.11134	1.7
176.08244	1.5
177.05429	4.4
177.09091	7.9
179.03387	6.7
179.07040	3.2
181.04956	2.7
181.08524	1.9
183.10181	0.5
183.11591	1.0
185.09583	1.0
185.13188	0.7
187.07475	1.7
187.11121	1.4
188.08273	0.6
189.05533	0.8
189.09091	2.6
189.12688	1.0
191.07004	16.8
191.10629	8.9
193.04843	0.9
193.08607	2.1
193.10072	0.6
195.06525	0.6
197.04431	1.4
197.09605	0.7
199.07558	0.5
199.11153	1.5
201.09087	4.9
201.12668	2.0
203.06987	1.7
203.10628	2.1
203.14265	1.2
204.07747	1.1
205.04932	2.5
205.08607	3.6
205.12245	2.7
206.09377	0.9
207.06508	3.5
207.10016	1.4
207.11803	0.5
209.07988	2.4
209.11687	1.7
211.11142	1.5
213.09027	1.4
213.12733	0.6
214.09886	0.5
215.06932	1.1
215.10599	2.0
215.14293	0.7
217.04915	0.6
217.08537	2.6
217.12253	2.2
218.09300	0.8
219.10141	47.0
219.13695	3.3
220.10434	2.1
221.08095	1.1
221.15202	0.9
223.05945	0.9
223.09532	0.7
225.09081	0.7
225.12761	1.1
227.10591	1.3
227.14270	0.9
228.11250	0.5
229.08560	1.9
229.12105	3.3
231.10080	2.5
233.08008	1.8
233.11650	1.8
235.09515	2.2
235.13261	1.0
237.11168	39.7
238.11528	1.8
239.10612	0.9
240.11398	0.6
241.08563	1.0
241.12193	0.9
242.09322	0.7
243.10034	2.2
243.13754	4.1
245.07851	1.0
245.11691	4.7
245.15559	0.8
247.09550	3.1
247.13257	9.7
249.11060	0.7
251.12589	2.4
253.12138	1.4
255.10110	1.0
255.13901	0.9
257.11636	4.7
259.09622	1.6
259.13202	0.8
261.11124	3.2
261.14755	1.9
262.11923	1.5
263.09125	1.5
263.12762	11.9
265.10681	4.0
265.14310	10.4
267.13849	1.2
269.11588	0.7
269.15256	1.4
271.13239	8.6
273.11130	1.2
273.14713	0.9
275.12717	4.6
277.14374	1.4
279.12326	0.6
280.68597	0.5
281.11649	0.6
283.13394	2.9
283.16171	0.5
285.14664	1.1
287.12787	0.6
289.14294	17.8
290.14636	1.5
291.12186	1.5
295.13190	1.4
295.16632	0.6
297.14767	4.6
298.15475	0.5
299.12759	1.7
299.16284	1.0
301.14267	1.4
303.12726	0.6
303.15646	2.2
307.15350	84.1
308.15872	4.5
309.18417	1.3
313.14282	2.5
313.17331	2.5
315.15900	6.0
316.16510	1.5
317.13785	2.6
317.17426	1.4
321.18140	0.8
327.15863	0.8
327.19366	2.2
329.20978	0.6
331.15320	2.4
331.19052	3.3
333.16885	0.6
337.17947	3.9
338.18448	0.7
339.19479	2.7
341.17474	1.4
345.20581	1.5
355.18961	11.5
356.19574	2.4
357.20538	29.6
358.20877	2.4
359.18195	0.6
373.20029	40.5
374.20609	6.5
391.21109	100.0
392.21448	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	391.2108
Annotation	Pregomisin
Peak:m/z	Relative Intensity
53.03930	1.1
53.38162	0.6
54.10818	0.5
55.01857	0.7
55.05505	1.4
57.07064	3.0
67.05487	2.4
68.62318	0.6
69.03407	4.0
69.07066	1.6
70.02390	3.4
70.02799	1.4
71.04984	7.5
72.03625	0.6
79.05486	6.3
81.07047	2.0
83.00842	1.5
83.01330	22.3
83.04957	0.8
85.02892	2.0
85.06539	0.7
91.05447	5.0
93.07031	15.6
94.06529	0.7
95.04964	3.0
95.08589	2.3
99.04462	3.5
99.26051	0.7
103.05443	1.1
105.03344	1.0
105.07011	19.5
106.07822	1.5
107.04975	0.7
107.08582	4.6
109.06490	1.5
109.10123	1.9
111.04440	1.1
113.05975	0.7
115.05462	1.3
117.06972	1.0
119.04861	0.7
119.08560	6.9
121.06496	2.3
121.10126	100.0
122.10415	1.5
123.04385	1.5
123.08027	4.6
123.11697	0.9
125.02306	0.7
125.05993	1.2
127.03925	0.7
128.06206	1.5
130.07793	1.6
131.08537	1.6
133.07516	0.7
133.10164	3.2
135.08014	0.9
135.11659	2.8
137.05934	1.4
139.03828	1.1
141.06932	1.0
143.08530	1.8
145.06490	1.2
145.10091	7.9
147.08011	1.3
147.11661	1.5
149.02336	2.2
149.05940	2.0
151.03871	4.9
151.07558	1.4
153.01828	1.0
153.05388	0.8
155.08517	1.7
157.04990	1.4
157.10150	2.4
159.08041	2.4
159.11708	1.5
161.09648	1.5
163.11118	4.5
165.05508	1.5
166.05783	1.0
167.03435	0.7
167.07080	1.3
167.08401	0.9
168.09309	1.8
169.04916	2.0
169.10080	1.3
171.06540	3.5
171.08047	7.5
171.11595	0.8
173.06032	1.2
173.09586	21.1
173.13249	1.1
174.10097	1.1
175.07568	1.4
175.11226	0.9
177.05429	2.2
179.06964	0.8
182.10936	1.4
183.06500	3.4
183.07996	1.3
183.11655	4.6
185.08037	1.6
185.09599	1.5
185.13254	1.6
187.07564	2.6
187.11171	2.0
189.05370	1.0
191.06999	0.7
191.10658	1.7
192.09305	1.0
193.10110	0.9
195.06494	4.4
195.08046	1.0
197.09523	1.3
197.13159	3.7
201.09088	13.8
201.12761	2.1
203.07022	1.9
203.10640	0.8
203.14340	2.2
207.06499	1.9
207.11729	1.2
210.10316	1.5
211.07518	1.7
211.11154	2.2
213.09100	1.9
214.09917	1.2
215.06841	0.7
215.10622	3.5
215.14293	2.2
219.06578	2.3
219.10156	2.2
221.08121	1.8
225.12701	5.8
227.10696	1.4
227.14226	1.0
228.11406	3.7
228.52400	0.7
229.08597	20.0
229.12161	20.7
230.08899	0.9
230.12459	1.3
233.08047	0.9
237.11226	2.1
238.09694	0.7
239.09097	2.1
243.13783	33.2
244.14128	1.3
245.15392	0.6
247.13216	3.6
253.12279	4.3
271.13248	57.7
272.13593	2.9
285.14868	2.2
287.16678	0.7
289.11194	0.8
289.14285	21.6
289.17090	1.4
295.16800	1.6
296.74478	0.7
297.18494	1.4
299.12869	1.4
303.15884	5.9
313.17844	1.8
315.16260	0.9
315.19415	3.9
317.13956	0.9
323.16348	2.0
329.21045	1.1
341.17349	6.8
357.20700	1.6
359.18488	11.9
360.19034	0.7
373.20044	1.9
391.21017	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	391.2108
Annotation	Longirabdolide G
Peak:m/z	Relative Intensity
55.05491	2.3
56.55998	1.2
57.07068	100.0
58.00214	0.9
67.05483	2.9
69.03405	2.2
69.07037	1.1
70.98682	2.1
70.99091	1.9
78.78235	0.9
79.05463	2.0
79.32001	1.0
79.70573	0.9
81.07040	3.0
83.01311	1.6
83.04974	1.5
85.02892	1.4
85.06531	12.9
89.05091	0.9
91.05460	3.5
93.07030	3.2
95.08584	2.7
97.06511	3.5
99.04439	4.1
105.07018	38.1
107.04952	1.0
107.08585	5.9
109.06506	1.4
109.10134	2.5
111.04426	9.2
117.06999	2.7
119.08562	4.2
121.10168	4.4
125.05975	3.1
127.03912	1.3
127.07558	1.1
130.07767	1.0
131.08569	1.8
135.08017	1.7
137.05980	1.2
143.07008	1.5
143.08527	2.4
145.10100	27.5
145.29845	1.0
147.11678	5.3
149.02380	1.0
149.05936	4.8
155.08524	2.3
157.10123	2.7
159.11673	2.3
163.11165	1.5
165.09088	4.0
169.04919	3.5
169.10014	1.1
173.09599	6.9
175.11066	1.4
183.10190	8.1
185.13252	1.3
191.10651	29.9
195.10197	3.1
197.13261	4.4
201.09081	11.8
203.10536	1.2
207.10075	2.4
209.11748	2.8
211.11148	2.5
213.12715	1.6
215.10551	1.6
215.14359	3.1
219.10081	1.9
223.13243	3.6
225.12718	4.0
227.10706	1.9
229.12173	1.8
241.12250	1.9
243.13779	62.6
244.14139	3.5
245.15297	2.1
246.80708	1.1
253.10625	3.4
257.11740	1.8
261.14795	6.7
265.44244	0.9
271.13321	3.8
272.13947	1.9
273.14984	1.1
279.12265	1.1
285.14874	6.7
286.15286	1.1
287.16440	1.7
289.14291	14.2
299.16617	1.6
307.15356	4.3
313.17984	2.7
327.19513	33.8
328.19879	3.0
329.21048	27.0
330.21387	1.3
345.20395	3.1
355.19006	3.2
373.20059	58.5
374.20358	3.1
374.37567	1.0
389.15009	1.0
391.21085	44.1
392.21423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11795	0.8
53.03929	0.9
57.03421	2.0
57.07067	100.0
58.07393	1.1
61.42143	0.8
66.47605	0.8
67.05509	0.9
69.03439	1.4
69.07052	1.8
69.54134	7.4
69.54539	2.0
79.05465	1.6
81.07050	2.5
83.01317	2.6
83.04958	1.1
85.06537	14.0
91.05463	2.5
93.07031	6.7
95.04956	1.3
95.08566	1.1
97.06514	1.3
99.04433	4.0
105.07018	22.8
105.07732	1.1
107.08551	4.2
109.06504	2.2
111.04430	11.0
117.06978	1.8
119.08556	3.6
121.06499	0.8
121.10124	5.8
125.05991	1.1
130.07726	1.0
131.08553	1.9
133.10101	2.8
135.08031	1.7
135.11690	1.3
143.08492	1.5
145.10100	18.8
147.11676	2.5
149.05945	3.6
151.07471	1.0
153.05505	0.8
155.08531	1.5
157.10094	1.7
159.08060	1.4
159.11685	1.3
162.06770	0.9
163.07501	2.0
163.11165	1.3
165.09052	1.4
169.04933	2.7
169.10081	0.8
171.08063	1.4
173.09653	7.4
175.11252	0.9
177.09087	3.4
179.06944	0.8
182.10851	1.2
183.10133	3.7
184.99985	0.9
185.13184	0.9
187.07608	0.9
189.09047	1.3
191.10640	21.5
195.10121	1.6
197.13210	3.2
201.09077	11.0
203.10675	3.7
203.14285	1.0
205.08502	1.1
209.08014	1.1
209.11711	1.8
210.10400	1.0
211.11116	2.4
215.10652	0.8
215.14276	1.5
219.10132	25.6
223.13168	1.1
225.12711	2.1
229.12302	1.7
231.10149	1.1
237.11188	27.5
238.11501	1.0
241.12192	1.0
243.13779	76.3
244.14111	5.1
247.13275	1.0
261.14804	7.8
263.12683	1.5
271.13226	1.2
283.13229	3.3
285.14752	2.0
289.14291	16.4
297.14859	1.3
299.15839	0.9
301.14328	1.3
303.15729	1.1
307.15344	2.1
313.17947	1.8
315.15817	1.7
327.19495	22.8
328.19867	2.1
329.21097	9.7
330.21240	1.5
339.19467	2.4
345.20428	1.6
355.19153	1.1
357.20541	36.3
358.20782	4.1
373.20050	22.0
374.20444	2.2
391.21112	24.1
392.21475	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	391.211
Annotation	Longirabdolide G
Peak:m/z	Relative Intensity
51.92142	1.2
57.03417	1.3
57.07069	100.0
69.07049	1.2
79.05479	2.1
81.07031	2.0
85.06532	14.5
91.05472	3.2
93.07026	1.1
95.08574	1.9
97.06510	1.9
98.20618	1.7
99.04434	4.2
105.07020	28.0
107.08561	3.5
109.06496	1.3
111.04424	9.3
119.08548	3.5
121.10123	4.1
123.04390	1.8
125.05890	1.7
129.06993	1.8
130.07765	2.4
131.08524	2.1
132.96397	1.3
133.10127	1.3
139.07610	1.1
143.08565	1.8
145.10103	21.7
147.11652	3.5
149.05972	5.9
159.11719	1.5
165.09027	2.1
169.04935	2.7
173.09648	6.6
173.13168	1.3
183.10156	5.5
191.10646	31.4
197.13225	5.1
201.09062	13.9
203.10649	1.7
207.10074	1.3
209.11636	2.8
215.14302	2.2
223.13315	2.2
225.12682	2.7
227.10587	1.3
229.12267	1.3
229.82040	1.5
241.12134	1.7
243.13777	69.3
244.14095	2.1
245.15393	2.8
253.10777	3.1
257.11661	1.2
261.14841	4.3
271.13455	3.0
272.13989	1.6
282.48236	1.2
285.14813	3.8
289.14310	16.3
307.15430	2.6
313.17993	2.1
327.19504	29.8
328.19983	2.6
329.21045	18.5
345.20612	1.3
355.19113	2.8
373.20071	37.9
374.20490	3.1
391.21075	24.7
392.21329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2108
Annotation	Longirabdolide G
Peak:m/z	Relative Intensity
53.64854	0.9
55.05492	1.1
57.03429	1.8
57.07065	100.0
61.24746	1.0
66.09576	0.9
67.05490	2.3
69.03419	1.4
69.07047	1.3
71.00739	2.2
71.01143	2.0
79.05479	2.7
81.07032	3.9
83.01315	2.6
83.04951	1.2
85.06535	15.1
91.05454	3.9
93.07008	4.6
95.04948	2.2
95.08572	2.7
97.06508	2.1
99.04433	4.9
105.03357	1.5
105.07016	33.2
107.08568	6.3
109.10090	2.5
111.04412	9.3
119.08537	4.1
121.06477	1.4
121.10146	5.5
125.05936	2.3
129.06978	1.2
130.07790	2.3
131.08502	3.4
133.10072	1.4
135.64066	1.0
137.09586	1.0
139.03903	1.2
139.89015	1.1
143.08514	2.0
144.09190	1.1
145.10103	24.9
147.11700	2.4
149.02280	1.7
149.05937	5.2
155.08476	2.4
157.10175	2.4
159.11678	2.7
163.11171	1.4
165.09044	2.2
167.03282	1.1
169.04944	5.2
171.08092	1.6
171.11620	1.1
173.09560	7.9
175.11214	1.4
182.10904	1.2
183.10179	7.1
187.11021	1.0
189.09084	1.9
191.10634	29.4
192.10939	1.1
195.10106	2.4
197.13220	4.4
200.13927	1.2
201.09058	12.7
203.10674	2.3
207.10136	2.1
209.11650	3.6
211.11186	2.1
215.10645	1.1
215.14110	1.7
219.10193	1.7
223.13243	1.6
225.12683	3.7
229.12100	1.9
237.11101	2.1
241.12273	1.7
243.13774	71.1
244.14076	4.3
245.15218	1.8
253.10649	3.5
261.14868	7.8
271.13232	3.9
272.14020	2.3
285.14713	5.7
286.15671	1.4
289.14328	20.8
307.15460	5.8
313.17859	2.3
327.19485	33.5
328.20081	2.9
329.21051	22.9
330.21436	1.5
345.20511	3.3
355.19012	3.5
373.20023	54.8
374.20422	2.3
391.21103	38.1
392.21576	3.1
411.84537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
55.05505	0.8
55.90364	0.2
57.03424	0.5
57.07067	37.3
58.07406	0.4
65.03930	0.4
66.34270	0.2
67.01856	0.6
67.05486	1.7
69.03429	0.8
69.07065	0.8
69.64479	1.9
69.64895	0.5
71.08621	0.6
79.05485	1.2
81.07049	1.5
83.01331	2.1
83.04971	0.4
83.08611	0.3
85.02923	0.4
85.06532	3.2
91.05460	2.8
93.07030	5.0
95.04963	0.7
95.08588	4.6
97.02917	0.6
97.06544	0.4
101.97672	0.2
105.07011	5.8
107.04990	0.3
107.08575	9.9
108.95824	0.3
109.06529	0.9
109.10139	2.1
109.10671	0.2
110.72253	0.2
111.08023	0.4
115.03930	0.3
117.07005	0.3
119.04937	0.3
119.08572	1.1
121.06516	0.5
121.10126	22.3
122.10380	0.4
123.04406	1.3
123.08062	0.4
123.11732	0.3
125.02348	0.4
127.03900	0.3
131.08531	0.7
133.06517	0.4
133.10110	9.3
135.08069	0.5
135.11684	1.0
137.05939	0.5
139.07579	0.4
141.01820	0.5
141.05475	0.6
143.03383	0.4
145.06479	0.7
145.10098	2.3
147.11693	1.4
149.02321	6.0
149.05872	0.4
151.03882	1.6
151.11185	1.8
153.05478	0.9
155.03343	0.4
155.08531	0.6
157.10141	0.6
159.08028	0.3
159.11705	0.4
161.09552	0.3
163.03911	0.7
165.05531	0.3
167.03438	1.1
167.07037	0.4
169.04938	71.5
170.05269	1.5
173.09595	11.2
174.10014	0.3
175.07515	0.5
175.11159	5.7
177.05435	2.7
177.09142	0.4
179.07056	0.4
181.05014	0.4
181.08554	0.4
182.10808	0.3
183.02838	0.2
183.06503	1.5
183.07983	0.6
183.11617	0.4
187.07547	0.8
187.11148	0.6
189.09123	0.3
191.07016	1.1
192.09518	0.3
193.04900	1.5
195.06497	3.2
197.08073	0.7
197.09694	0.4
197.13211	1.9
201.09120	1.3
203.07033	0.2
203.10707	0.4
205.08661	0.6
207.06561	0.9
207.11783	0.5
209.08044	1.6
210.10410	0.5
211.11270	0.4
213.09158	0.3
215.10555	0.5
217.08673	0.5
219.06514	0.3
219.10153	0.5
225.09178	0.5
225.12730	2.8
229.08539	3.5
229.12141	0.4
231.09937	0.5
233.08047	3.2
243.10103	1.0
243.13774	2.4
247.09618	10.2
248.09938	0.3
253.10594	1.5
253.12410	1.4
256.10883	0.4
261.11145	1.0
261.14969	0.8
271.13245	10.4
278.12167	0.3
287.12521	0.3
289.14307	46.6
290.14661	2.3
305.13785	0.4
307.15353	100.0
308.15695	4.3
321.18369	0.3
327.19598	0.5
331.15543	0.5
355.19110	0.8
373.20065	7.5
374.20364	0.6
391.21097	45.4
392.21515	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.19
Annotation	lespeol
Peak:m/z	Relative Intensity
50.01594	0.5
50.96447	0.1
51.02367	0.8
52.46276	0.1
53.03939	3.3
54.63676	0.1
55.01872	0.3
55.05511	0.1
57.07069	1.6
57.79778	0.1
65.03880	0.1
67.05497	0.4
67.18999	0.1
69.03420	0.3
69.07053	0.3
69.40795	0.1
69.95171	0.1
70.31937	0.2
70.32337	0.4
71.04994	0.2
71.08619	0.1
72.50771	0.1
77.03910	1.1
79.05476	0.4
81.03403	0.7
81.07040	0.5
83.01321	0.6
83.04987	0.1
83.08624	0.1
85.02911	0.1
85.06506	0.3
91.05465	0.8
93.07039	0.9
95.04954	9.4
95.08598	0.4
96.05304	0.3
105.03377	100.0
105.06974	1.5
106.03701	2.5
107.04922	0.1
107.08587	1.3
109.06503	0.4
109.10124	0.6
110.71320	0.1
111.04459	0.2
117.06976	0.2
118.06540	0.3
119.04913	0.1
119.08551	0.5
121.06534	0.2
121.10134	2.4
122.10999	0.1
123.08050	0.3
123.11708	0.8
127.07565	0.1
130.07704	0.1
133.06453	0.1
133.10107	0.6
135.08011	0.1
135.11668	1.8
137.05930	0.3
137.09596	0.2
138.88428	0.1
143.08586	0.2
145.10098	0.6
147.07976	0.1
147.11656	0.3
149.02335	1.0
149.05986	0.2
151.07581	0.1
153.05428	0.8
155.08511	0.1
155.89459	0.1
157.10114	0.2
159.08055	0.1
161.05968	0.1
161.09557	0.1
163.07423	0.1
163.11177	0.2
165.05449	2.7
165.09087	0.1
166.05727	0.2
167.03362	0.2
167.07027	0.2
169.04994	0.2
169.09970	0.1
171.07945	0.2
173.09599	0.6
173.13182	0.2
175.07469	0.2
177.05438	0.2
177.08995	0.1
179.03355	0.1
179.07007	0.2
185.09604	0.1
188.88055	0.1
191.07048	0.1
191.10597	0.4
193.08597	0.2
197.13211	0.2
199.07565	0.2
201.09019	0.4
204.62177	0.1
209.13217	0.2
211.11151	0.1
213.09052	0.3
219.10097	0.3
221.13297	0.1
225.09058	0.3
225.12784	0.2
227.10648	0.2
227.14244	2.0
228.14644	0.1
229.08537	0.3
229.12134	0.5
233.11714	0.1
235.09535	0.2
237.11148	0.4
239.10707	0.2
239.14249	0.4
241.08493	0.2
241.12332	0.2
241.15805	0.1
243.10080	0.2
243.13818	1.0
245.11641	0.2
251.09056	0.1
253.12317	0.1
254.12932	0.2
257.08011	0.3
269.07953	0.5
269.15332	4.0
270.15536	0.3
271.09564	0.5
271.13199	1.3
285.14835	0.6
289.14301	0.9
296.90506	0.1
299.13019	0.1
299.16510	0.1
299.19943	0.1
303.15790	0.8
307.15256	0.2
315.15784	0.2
321.16855	0.2
327.19275	0.5
329.21048	0.6
355.18948	0.3
357.20526	0.2
359.18173	0.3
373.20471	0.9
391.18851	12.7
392.19232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1897
Annotation	lespeol
Peak:m/z	Relative Intensity
50.01574	0.4
51.02359	0.4
53.00272	0.1
53.03939	2.2
54.04259	0.1
55.01860	0.2
55.05489	0.1
57.07069	0.3
67.05499	0.1
69.03410	0.1
69.07039	0.1
69.90263	0.1
69.90665	0.3
76.03116	0.0
77.03899	1.0
77.41098	0.0
79.05472	0.1
81.03413	0.5
81.07051	0.3
83.01316	0.3
83.04999	0.1
84.56976	0.0
90.05706	0.0
91.05450	0.3
93.07032	0.6
95.04951	9.9
95.08592	0.2
96.05292	0.2
105.03374	100.0
106.03702	2.2
106.04773	0.1
107.08563	0.8
109.02860	0.1
109.06522	0.2
109.10130	0.3
117.06992	0.1
118.06520	0.3
119.04999	0.1
119.08550	0.3
121.10126	0.5
123.11686	1.2
124.12009	0.1
127.03896	0.1
133.10103	0.2
133.14334	0.1
135.11690	0.4
137.05948	0.2
139.03865	0.1
143.08577	0.1
145.10114	0.2
147.11674	0.1
149.02351	0.3
149.05989	0.1
153.05426	0.4
157.10107	0.0
159.37129	0.0
163.07472	0.1
165.05458	2.2
167.08469	0.1
169.10069	0.1
171.08020	0.1
171.11641	0.1
173.09593	0.1
175.07524	0.1
179.03387	0.1
185.09587	0.1
189.08986	0.1
191.06989	0.1
191.10686	0.1
193.10107	0.1
197.09581	0.1
199.07549	0.1
199.11246	0.1
201.09135	0.1
203.06891	0.1
205.08585	0.1
207.10063	0.1
209.13242	0.2
211.11197	0.1
213.09140	0.2
219.10143	0.1
219.23694	0.0
223.09589	0.1
225.09076	0.2
227.10640	0.1
227.14267	1.7
228.14601	0.1
229.12181	0.1
237.11206	0.1
239.10660	0.1
239.14198	0.2
241.08560	0.1
241.15872	0.2
243.10089	0.1
243.13818	0.1
245.11687	0.1
251.14243	0.1
253.12314	0.1
254.12958	0.2
257.08093	0.3
267.13672	0.1
269.08035	0.5
269.15317	3.3
270.15717	0.2
271.09650	0.4
271.13269	0.8
285.14841	0.4
289.14337	0.1
299.12704	0.1
303.15778	0.1
307.15390	0.1
311.12732	0.5
320.47333	0.0
327.19434	0.1
329.21133	0.1
371.55881	0.1
373.17535	0.5
391.18954	9.0
392.19302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02356	0.4
51.66202	0.0
53.00288	0.1
53.03940	2.3
54.04263	0.1
55.01862	0.3
55.05502	0.1
57.07069	0.6
63.93858	0.0
65.00324	0.1
65.03951	0.1
67.05505	0.2
68.99796	0.1
69.03424	0.1
69.07048	0.1
71.08626	0.1
71.79663	0.1
77.03901	1.0
79.05482	0.2
81.03413	0.4
81.07050	0.4
83.01327	0.5
83.04971	0.1
85.02906	0.1
85.06516	0.1
91.05462	0.3
92.05753	0.0
93.07040	0.4
95.04955	10.2
95.08586	0.3
96.05310	0.2
99.04420	0.1
105.03378	100.0
105.06932	0.5
106.03703	2.6
107.08569	0.8
109.02863	0.1
109.06496	0.2
109.10127	0.3
118.06530	0.2
119.08528	0.3
121.06525	0.1
121.10123	1.4
121.11004	0.1
123.08064	0.1
123.11716	0.6
125.02383	0.1
127.03896	0.2
128.06151	0.1
129.06961	0.1
131.08562	0.2
133.10153	0.2
133.72276	0.0
135.08061	0.0
135.11699	0.5
136.94328	0.1
137.05948	0.3
137.13120	0.1
139.03871	0.1
143.08582	0.1
145.10126	0.3
147.08124	0.1
147.11684	0.1
149.02339	0.4
149.05917	0.2
150.09209	0.1
151.03897	0.1
151.07593	0.1
153.01761	0.1
153.05434	0.5
155.08505	0.1
157.10204	0.1
159.11629	0.1
161.05954	0.1
161.09599	0.1
163.11182	0.1
163.74724	0.0
165.05464	2.3
166.05830	0.2
167.07103	0.1
169.04950	0.1
169.10129	0.1
171.08055	0.1
173.09612	0.4
175.07503	0.1
177.05505	0.0
179.03369	0.1
179.08449	0.1
181.85974	0.0
183.11650	0.1
185.09697	0.1
189.05551	0.1
189.08958	0.1
191.10699	0.1
195.08125	0.1
195.11890	0.1
197.04362	0.1
197.13231	0.1
199.07640	0.1
199.11281	0.1
201.09113	0.1
201.12741	0.1
203.07106	0.1
209.13222	0.1
211.11211	0.1
213.09091	0.2
214.09901	0.1
215.14291	0.1
219.10130	0.1
225.09067	0.2
225.12738	0.2
226.13478	0.1
227.10672	0.2
227.14275	1.9
228.14656	0.1
229.08546	0.1
229.12270	0.2
237.11095	0.1
239.10719	0.1
239.14296	0.3
241.08623	0.2
241.12292	0.1
241.15828	0.1
243.10161	0.1
243.13843	0.4
253.12201	0.2
254.12990	0.2
257.07986	0.2
267.13983	0.1
269.08170	0.5
269.15323	2.9
270.15573	0.2
271.09692	0.4
271.13263	1.3
272.13718	0.1
285.14865	0.4
286.15491	0.1
289.14304	0.5
303.15860	0.5
307.15222	0.1
311.12595	0.1
321.16956	0.2
327.19376	0.1
329.20963	0.1
335.12863	0.1
349.14389	0.1
355.18860	0.1
357.20535	0.1
373.17502	0.5
374.19397	0.1
391.18945	8.8
392.19287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01870	0.5
55.05487	0.7
55.06008	0.3
57.06808	0.6
57.07067	8.5
65.03922	0.3
67.05486	1.2
69.07063	1.7
70.39806	0.7
70.40201	0.8
73.67947	0.3
79.05470	1.0
81.03418	0.5
81.07037	4.3
83.01333	0.6
85.06508	0.6
91.05479	1.0
93.07017	0.8
93.23933	0.4
95.04902	0.3
95.08606	1.3
105.06982	0.9
107.08556	1.0
109.02846	1.3
109.06493	3.8
109.10114	1.3
111.04443	0.4
119.04918	0.4
119.08574	0.5
121.10091	0.6
123.11691	18.1
124.12017	0.3
127.03899	2.2
133.10114	0.7
135.11665	2.6
137.05969	5.7
139.03802	0.4
147.04472	0.3
147.11620	0.3
151.07471	0.4
153.05443	3.8
163.07530	0.5
165.05449	100.0
166.05788	2.8
167.07010	3.4
177.05475	0.4
179.07027	1.8
191.06885	0.3
202.36864	0.3
203.06992	0.7
205.08577	1.7
207.10165	0.4
219.10120	0.4
227.10883	0.3
231.10173	0.9
245.11626	0.4
259.16830	0.6
269.15289	0.9
283.26349	1.7
287.16379	48.5
288.16742	2.6
305.17432	25.7
306.17795	1.5
371.22116	2.0
389.23514	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1021
Annotation	Wubangziside B
Peak:m/z	Relative Intensity
53.03933	0.4
55.01862	0.5
56.27932	0.1
57.03429	1.8
57.07070	0.5
59.04992	0.2
61.02913	1.3
67.05507	0.4
69.03043	0.3
69.03421	5.0
71.01344	0.2
71.04989	1.4
71.08625	0.3
71.11969	0.3
71.12341	0.3
73.02905	0.6
74.57799	0.1
81.03410	1.5
81.07044	0.4
84.38937	0.2
85.02894	20.0
87.04444	0.8
91.03952	0.5
91.05473	0.2
93.07042	0.2
95.08588	0.3
97.02879	3.4
99.04446	1.0
101.02339	0.2
103.03954	0.8
105.07033	0.3
107.01310	0.2
107.04929	0.2
107.08616	0.3
109.02867	1.9
115.03918	0.2
117.07016	0.3
120.02417	0.1
121.10166	0.2
123.11648	0.2
127.03896	3.3
129.05464	0.3
135.11696	0.2
145.04958	1.7
145.06192	0.2
149.02332	2.9
155.04851	1.0
167.03392	0.3
167.07123	0.2
173.05963	0.3
173.09596	0.3
183.04373	0.2
187.03941	0.3
191.07053	0.2
201.05426	1.8
211.03844	1.6
212.04633	1.6
213.05431	0.7
227.03366	0.2
228.04221	0.4
229.04929	100.0
230.05272	2.4
241.05020	0.2
244.03571	0.2
245.04347	1.2
253.04828	0.8
265.05014	0.2
267.06323	0.3
271.05984	2.7
285.12338	0.3
295.05954	0.4
297.12204	0.2
341.11157	0.3
359.12344	0.3
373.09320	0.2
373.15851	0.2
373.20206	0.4
377.13260	0.2
391.09924	0.5
391.21274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86208	0.4
53.03933	0.5
55.01863	0.8
55.05503	0.7
57.07065	5.1
65.03967	0.3
67.05482	0.8
69.03407	0.5
69.07066	0.9
70.38693	1.8
79.05478	1.3
81.03387	0.7
81.07049	4.9
83.01324	0.4
85.06526	0.7
86.09671	0.7
87.18515	0.3
91.05463	1.7
93.07021	1.6
95.04926	0.4
95.08579	1.4
98.20726	0.4
105.07020	1.5
107.08599	2.3
109.02838	1.4
109.06502	3.5
109.10139	1.5
119.08596	0.8
121.10145	2.1
123.08031	0.5
123.11694	17.6
124.11971	0.4
124.99950	0.4
127.03897	1.3
131.08516	0.5
133.10103	1.0
135.11671	3.9
137.05991	5.0
145.10123	0.5
147.11652	0.5
151.07571	0.6
153.05449	6.0
161.13208	0.3
163.07520	0.5
165.05461	100.0
166.05804	2.3
167.03278	0.4
167.06999	1.0
173.09476	0.5
179.07016	1.9
183.06514	0.4
184.07297	1.9
189.08957	0.4
191.07050	0.6
191.10727	0.4
193.04887	0.3
203.06992	0.6
203.10670	0.8
205.08661	1.3
219.10034	0.4
221.11678	0.4
231.10133	1.6
287.16388	50.6
288.16611	2.2
301.14352	0.6
305.17432	22.9
306.17798	0.7
346.11453	0.4
357.20462	0.4
360.57950	0.4
371.18167	0.7
371.22192	1.3
389.23975	1.2
389.32053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2318
Annotation	ATCC 20928B
Peak:m/z	Relative Intensity
50.02578	2.3
53.03949	2.7
55.01865	3.0
55.05496	7.9
56.51475	2.1
57.07075	29.2
67.05489	9.0
69.03417	5.0
69.07061	11.1
69.90294	9.0
69.90724	8.3
71.04979	5.6
73.06541	9.9
79.05471	14.0
81.03495	2.5
81.07032	12.9
83.01324	4.0
83.04960	4.7
85.06536	5.8
91.05470	18.3
93.07047	31.0
95.04935	4.2
95.08578	13.5
97.06523	3.8
99.08074	2.7
105.07030	23.3
107.08578	41.4
107.56204	2.4
109.06485	9.8
109.10155	12.7
111.08003	4.3
113.01155	2.2
117.06996	9.7
119.08581	17.5
120.96006	2.8
121.06504	5.4
121.10137	57.3
122.10515	3.5
123.08063	5.7
123.11705	23.5
125.05982	4.2
128.06152	3.1
129.06984	4.0
131.08560	7.5
133.06534	3.5
133.10101	19.9
135.08031	11.5
135.11673	67.0
137.05963	13.5
137.09615	7.0
139.11150	5.5
143.08539	10.6
145.06468	3.8
145.10109	9.1
147.08058	6.1
147.11644	8.7
149.09628	16.0
151.07520	7.8
151.11188	4.0
153.05470	15.5
155.06963	2.7
157.10104	8.1
159.11664	7.8
161.09621	20.8
163.07547	5.3
163.11172	17.3
165.05466	100.0
166.05836	3.4
167.10669	4.6
169.12172	6.3
171.08037	6.8
171.11630	2.3
173.09621	7.5
175.07530	3.4
175.11131	18.2
177.05443	4.5
177.09102	3.7
177.12767	9.6
181.08588	4.8
183.06500	9.2
185.09615	2.5
187.07602	3.2
189.09065	17.9
189.16333	2.5
191.06975	5.4
193.12198	4.5
199.07396	3.3
203.10654	36.6
205.08517	8.0
207.06619	2.6
207.10091	4.4
217.08548	25.8
219.10106	9.2
221.11571	12.5
221.30029	2.5
231.10095	16.3
233.11650	2.8
235.09578	3.1
237.11147	3.4
249.11179	37.8
275.17981	4.7
287.16418	7.2
293.18964	7.6
303.15918	3.7
305.17422	63.1
306.17957	3.1
309.18185	2.6
311.19888	7.1
321.18378	7.3
325.21335	3.1
327.23029	3.7
329.21027	5.0
331.19223	3.8
337.49347	2.7
339.19498	10.5
343.22760	9.6
353.21112	14.7
361.23816	7.2
371.22134	95.3
372.22672	3.6
389.23691	74.6
390.24561	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	389.2316
Annotation	ATCC 20928B
Peak:m/z	Relative Intensity
51.02349	0.2
53.03928	0.5
55.01864	0.7
55.05487	0.7
57.07065	3.0
65.03938	0.5
67.05504	1.5
69.03407	1.0
69.07070	1.4
71.04977	0.4
73.06543	1.2
79.05477	2.5
80.26019	0.2
81.03395	0.6
81.07041	4.9
83.01324	1.0
83.04938	0.6
85.06517	0.6
87.13525	0.2
91.05469	2.3
93.07034	3.4
95.04935	0.8
95.08588	2.4
97.06511	0.4
99.08060	0.5
100.06772	0.2
105.07022	3.3
107.04907	0.5
107.08572	6.3
109.02889	1.1
109.06513	3.1
109.10133	2.4
111.08054	0.4
115.05444	0.2
117.07000	0.6
119.04914	0.5
119.08565	2.3
121.06457	0.8
121.10125	6.2
122.07323	0.3
123.04423	0.4
123.08041	0.7
123.11688	18.6
124.11994	0.6
125.05963	0.5
125.09594	0.3
127.03894	1.3
128.06192	0.6
131.08536	0.9
133.06497	0.7
133.10117	3.0
135.08055	1.8
135.11670	10.5
136.12015	0.4
137.05956	5.8
137.09587	1.2
139.03854	0.6
139.11131	0.5
139.96664	0.3
141.05435	0.6
143.08554	1.3
145.06464	0.5
145.10085	1.3
146.07231	0.2
147.04384	0.3
147.07973	1.0
147.11642	1.5
149.05939	0.3
149.09599	1.5
151.03860	0.2
151.07503	1.0
151.11191	0.4
153.05446	6.7
153.09094	0.3
157.10086	0.6
159.08130	0.5
159.11615	0.6
161.05963	0.3
161.09604	2.1
163.07556	1.2
163.11127	1.9
165.05450	100.0
166.05786	2.6
167.07043	1.1
167.10651	0.7
168.04323	0.2
169.04880	0.3
169.12234	0.6
171.07983	0.7
171.11543	0.3
173.09587	0.7
174.06732	0.3
175.07477	0.4
175.11165	2.6
177.05495	0.6
177.09091	1.0
177.12729	1.2
179.07013	5.2
181.04863	0.6
181.08578	0.6
183.06456	1.0
185.09625	0.6
187.07530	0.5
187.11081	0.4
188.08279	0.3
189.09079	2.3
191.07007	0.8
191.10715	0.5
193.04942	0.3
193.08528	0.5
193.12193	0.5
199.07559	0.3
201.09000	0.4
203.07018	1.0
203.10645	4.7
205.08504	1.7
207.06438	0.4
207.10092	0.6
217.08589	3.1
217.15871	0.3
219.10150	1.0
221.08195	0.3
221.11687	2.0
231.10123	3.9
237.11201	0.8
245.11629	0.6
249.11163	3.5
269.15277	0.9
287.16376	48.7
288.16663	2.6
293.18939	0.4
303.15823	0.5
305.17429	29.4
306.17755	1.1
311.19943	0.5
313.17584	0.3
321.18286	0.7
325.21512	0.5
327.23285	0.5
329.21109	0.5
339.19363	1.2
343.22617	0.8
345.20670	0.4
353.21024	1.6
357.20468	0.4
361.23438	0.4
371.22128	11.0
372.22498	0.9
389.23151	7.1
390.23575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30317	0.2
53.03938	0.4
53.32503	0.2
55.01861	0.5
55.05500	1.0
55.92982	0.2
57.03425	0.3
57.07066	16.5
64.04972	0.2
65.03931	0.2
67.05502	1.3
69.03412	1.2
69.07051	3.4
71.04978	0.4
71.81739	0.3
79.05461	1.0
81.03398	0.3
81.06600	0.3
81.07041	4.2
83.01314	1.3
83.04946	0.4
83.08598	0.6
85.02888	0.2
85.06526	2.0
86.95623	0.2
91.05464	1.7
93.07028	2.2
95.04964	0.3
95.08580	1.7
97.06505	0.4
105.06992	1.1
107.08582	2.5
109.02866	1.4
109.06501	5.0
109.10137	3.4
111.04452	0.3
111.11627	0.2
116.33182	0.2
119.04930	0.6
119.08556	0.6
121.06459	0.8
121.10112	0.9
123.08054	0.2
123.11681	7.0
125.06004	0.3
127.03891	2.0
131.08511	0.4
133.06474	0.3
133.10091	1.9
134.52277	0.2
135.08034	0.3
135.11664	2.9
136.12006	0.2
137.05952	7.0
137.09561	0.2
139.03856	0.7
139.07538	0.8
143.08577	0.3
145.10077	0.4
147.07997	0.4
147.11629	0.3
149.05965	0.7
149.09634	0.3
151.07513	0.9
151.11179	0.4
153.05444	5.4
153.06680	0.3
153.12712	0.6
157.10121	0.4
159.08047	0.6
161.05931	0.5
161.09596	0.3
163.07529	0.6
165.05449	100.0
166.05771	2.6
167.07010	37.4
168.07397	0.8
173.09619	0.2
175.07544	0.8
175.11249	0.3
177.05469	1.8
177.09038	0.7
179.07001	4.9
181.08585	0.6
185.09605	0.3
187.07561	1.3
188.08192	0.2
189.05446	0.3
189.09082	1.1
190.06232	0.3
191.07002	2.6
191.10643	0.4
193.04948	0.7
193.08549	2.2
193.12222	0.3
195.06462	1.4
195.10133	0.3
199.36539	0.2
201.09071	0.5
203.06953	1.4
203.10605	1.3
205.08562	7.2
207.10095	2.2
213.09056	0.7
217.08601	1.6
217.12137	0.4
218.09276	0.3
219.10126	4.2
221.08093	0.5
221.11743	1.5
223.09514	0.9
227.10744	1.1
229.08574	0.3
229.12231	0.2
231.10127	4.9
232.10854	0.4
235.09616	2.8
241.15770	0.4
243.13695	0.3
245.11652	1.9
245.15407	0.6
247.13248	0.3
249.11166	0.4
251.12700	2.8
259.13199	0.3
259.16925	0.9
261.14853	0.3
267.14023	0.2
269.15375	1.7
287.16373	43.0
288.16776	2.2
303.15994	0.6
305.17416	56.8
306.17752	3.1
371.21954	0.4
389.23169	17.6
390.23444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01873	0.5
55.05502	1.2
57.07067	24.7
57.83249	0.2
59.05013	0.3
64.07220	0.2
65.03935	0.4
67.05486	1.3
69.03419	1.3
69.07058	7.0
70.32898	0.2
79.05478	1.6
81.03425	1.1
81.07042	4.3
83.01330	1.2
83.04989	0.4
83.08610	0.5
85.06540	2.8
91.05470	1.9
93.07027	2.0
95.04948	1.2
95.08588	2.1
97.06513	0.7
97.10192	0.2
98.21445	0.7
105.03371	4.8
105.06407	0.2
105.07011	1.3
107.08588	2.5
109.02840	1.7
109.06499	5.0
109.10136	2.6
111.04425	0.3
111.11695	0.3
113.06017	0.3
119.04946	0.7
119.08562	0.9
121.06488	0.6
121.10115	1.3
123.08059	0.6
123.11690	9.1
125.05995	0.5
127.03894	3.3
129.07053	0.2
131.08533	0.8
131.73637	0.2
133.06503	0.3
133.10132	1.7
135.08037	0.3
135.11678	3.5
137.05951	6.5
137.09587	0.3
139.03885	0.9
139.07492	0.6
143.08476	0.3
145.10109	0.4
147.04274	0.3
147.08029	0.5
147.11670	0.5
149.02341	0.2
149.05956	0.6
149.09628	0.3
151.07521	0.5
151.11176	0.4
153.05449	7.8
155.06961	0.5
157.10123	0.6
159.08047	0.5
159.11610	0.3
161.05974	0.5
161.09639	0.4
163.07532	0.7
165.05452	100.0
166.05777	2.4
167.07014	26.9
168.07352	0.7
169.10126	0.2
173.09590	0.4
175.07510	0.7
177.05421	1.3
177.09100	0.9
179.07007	2.4
181.08591	0.3
187.07521	1.6
189.05489	0.3
189.09108	0.9
191.06982	1.9
191.10712	0.4
193.04997	1.2
193.08545	1.2
195.06491	0.7
195.10164	0.3
201.09085	0.6
203.07014	1.2
203.10646	0.8
204.07726	0.3
205.08578	8.5
207.10101	1.7
213.09003	0.5
217.08586	1.9
217.12189	0.3
219.10139	3.9
221.08098	0.4
221.11696	0.7
223.09627	0.7
227.10628	0.6
229.12257	0.4
231.10081	3.6
235.09618	2.1
243.13779	0.5
245.11632	1.4
245.15448	0.5
247.13213	0.7
251.12761	0.7
259.13260	0.5
259.16895	1.9
268.24857	0.3
269.15338	1.6
287.16379	39.7
288.16669	2.3
303.15878	0.3
305.17419	57.3
306.17844	3.2
333.18304	0.6
365.93549	0.2
371.22043	0.7
389.23257	10.8
390.23904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77456	0.2
53.03934	0.4
55.01854	0.3
55.05492	0.4
57.07067	3.5
61.64195	0.2
62.95543	0.1
65.03944	0.3
67.05484	0.7
69.03429	0.3
69.07042	0.9
69.57274	0.5
69.57697	1.0
71.04974	0.2
79.05481	0.9
81.03394	0.3
81.07042	4.1
83.01344	0.8
85.02867	0.2
91.05453	1.1
93.07035	1.5
95.04939	0.5
95.08588	1.2
97.10146	0.3
98.20712	0.4
105.07022	1.0
107.08591	1.7
109.02885	1.1
109.06497	2.4
109.10138	1.3
119.04893	0.4
119.08605	0.8
121.06465	0.4
121.10136	2.4
123.04410	0.2
123.08025	0.2
123.11690	16.7
124.12043	0.3
125.09566	0.2
127.03912	1.6
133.10107	1.0
135.11665	2.8
137.05957	5.1
139.03923	0.3
143.08502	0.2
144.81470	0.2
145.10085	0.6
147.11696	0.3
149.02321	2.3
151.07506	0.3
153.01802	0.2
153.05469	3.6
157.10031	0.3
159.11586	0.3
163.07530	0.5
163.11169	1.5
165.05455	100.0
166.05780	2.1
167.03410	0.4
167.07033	0.9
167.10736	0.3
172.47810	0.2
173.09592	0.4
179.07074	1.4
183.06441	0.3
191.07007	0.6
191.10576	0.2
193.05011	0.3
203.07066	0.2
205.08556	0.7
207.10086	0.3
215.14378	0.2
217.08554	0.3
217.15710	0.2
231.10114	0.9
241.15959	0.2
243.13690	0.3
249.11201	0.3
269.15378	0.5
287.16385	38.5
288.16745	1.7
289.14456	0.4
303.15887	0.6
305.17429	36.9
306.17786	1.8
315.15869	0.2
319.18945	2.1
321.17096	0.2
343.42593	0.2
357.20563	1.8
371.22122	0.6
389.18307	0.3
389.23520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87008	0.1
52.76230	0.1
53.03944	0.2
53.99627	0.1
55.01869	0.4
55.05508	0.2
56.54041	0.1
57.07068	5.8
65.03934	0.2
66.51245	0.1
67.05505	0.6
69.03436	0.2
69.07050	0.3
69.85432	0.6
69.85838	0.2
79.05486	0.6
81.03412	0.7
81.07041	3.1
83.01321	0.4
85.06545	0.3
91.05474	0.7
93.07018	0.4
95.04978	0.3
95.08598	0.9
98.21422	0.2
105.07014	0.6
107.08592	0.8
109.02859	1.1
109.06500	2.5
109.10151	1.0
119.04885	0.4
119.08546	0.2
121.10120	0.3
123.11688	15.5
124.12062	0.3
127.03903	1.7
133.10080	0.4
135.11662	1.8
137.05954	5.1
139.03908	0.3
143.45715	0.1
145.10071	0.2
147.04387	0.3
147.11642	0.3
149.13232	0.1
151.07533	0.4
153.05458	3.0
163.07523	0.5
165.05452	100.0
166.05760	1.9
167.07021	1.0
170.78578	0.1
177.05492	0.2
179.07048	1.1
181.08646	0.2
183.06543	0.2
191.06996	0.2
193.08592	0.2
203.06956	0.2
205.08582	0.3
207.17487	0.2
223.09380	0.1
227.10567	0.2
231.10136	0.5
235.09514	0.2
235.47076	0.1
241.15976	0.1
245.11700	0.2
251.14360	0.1
269.15466	0.8
271.13364	0.2
286.13156	0.1
287.16376	33.3
288.16663	1.8
305.17422	50.0
306.17706	1.9
371.22076	1.2
389.17990	0.3
389.23123	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	389.2163
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01850	1.7
55.05499	4.9
57.03416	3.3
57.07050	2.2
61.00797	1.0
61.02918	2.8
67.05489	4.0
69.03419	6.4
69.07047	4.0
70.70651	1.2
71.01388	1.2
71.04616	1.6
71.04986	21.7
71.79588	2.2
72.08160	1.1
73.02908	1.3
73.06545	1.4
75.04473	3.5
79.05473	1.7
79.72268	1.0
80.78510	1.0
81.03412	5.6
81.07052	5.5
83.04966	4.6
85.02890	20.6
85.06537	8.5
91.05473	3.9
91.49539	1.2
93.07030	4.8
95.08572	6.5
97.02875	4.4
97.06512	4.3
99.04442	68.3
102.33681	1.1
103.05453	1.9
105.07025	6.4
107.08577	15.7
109.06487	4.5
109.10134	10.4
111.08057	4.2
113.09647	3.1
119.08582	3.0
121.06524	1.5
121.10116	12.3
123.04416	3.8
123.08054	11.4
123.11691	7.2
125.09620	4.5
127.03859	5.7
127.11195	1.3
131.04906	3.9
131.08536	3.5
133.10107	12.8
135.08018	1.9
135.11674	5.0
137.05971	2.4
137.09613	9.4
139.11150	4.5
145.04979	2.9
145.10085	1.4
147.11665	4.4
149.09599	3.0
149.13231	8.7
151.03902	1.3
151.11153	5.0
153.12738	9.4
161.05927	1.2
163.07558	2.0
163.11137	1.4
163.14807	3.6
165.05455	4.8
165.12746	3.7
167.07030	2.0
167.10617	1.4
169.12218	13.3
173.13249	7.0
181.04922	1.5
183.13797	19.6
184.14102	1.3
190.29886	1.2
191.08176	7.0
191.14252	12.6
207.10275	1.2
209.15372	15.0
210.15567	1.2
227.16394	100.0
228.16745	4.7
260.91287	1.3
317.10037	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	389.2164
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03931	1.6
53.74931	1.4
55.05490	6.7
57.03426	4.4
57.07051	1.9
59.04976	1.9
67.05486	4.3
69.03412	9.2
69.07040	5.4
69.98511	1.6
70.06581	12.4
70.24200	9.0
71.04972	3.2
71.06891	2.8
79.05477	4.6
81.03384	2.9
81.07045	11.0
83.04964	8.1
83.08585	2.6
85.02899	16.4
85.06539	2.5
86.09693	4.6
91.05454	3.4
93.07019	7.7
95.01266	2.3
95.04942	13.0
95.08566	8.7
97.02880	3.4
97.06522	11.3
97.10153	3.7
99.04427	5.3
99.08067	6.7
105.03375	58.2
105.07007	9.3
107.08572	15.4
109.06503	20.9
109.10134	8.0
111.08053	7.2
113.05962	2.2
115.07539	5.6
118.33622	1.5
118.54727	1.7
119.04990	2.2
119.08543	4.9
121.10123	15.7
123.04406	5.9
123.08074	3.7
123.11696	2.4
125.05973	2.6
125.09621	31.7
127.03879	5.5
127.07554	3.6
131.03377	2.0
131.08524	6.9
133.10118	26.2
135.08003	7.1
135.68385	1.8
137.09572	2.4
139.11111	1.9
141.01817	4.6
145.10046	2.5
147.11688	15.7
149.09610	28.9
149.13208	6.3
151.11169	9.5
153.09091	21.5
158.10884	1.9
163.14789	8.1
165.12680	4.7
167.10626	2.0
168.51694	1.6
173.13249	14.8
177.05431	2.3
178.05847	2.5
179.07111	16.5
179.14194	3.2
191.14265	33.6
192.14554	2.8
197.08046	22.4
209.15338	100.0
210.15636	5.0
227.12811	2.4
227.16403	28.0
286.20102	2.7
297.84518	1.8
389.16772	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	389.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.1
55.05502	7.3
57.03431	5.0
61.02923	3.7
63.16597	2.9
67.05502	12.1
68.99778	3.6
69.03426	16.4
69.07047	6.8
69.55024	29.9
70.39868	3.0
71.04996	9.8
78.81403	2.5
79.05480	8.3
81.03398	5.5
81.07041	19.6
83.04947	10.4
83.08605	4.6
85.02898	34.8
85.06526	8.2
91.05474	11.7
93.07023	25.2
95.04970	12.1
95.08594	26.7
97.02889	8.8
97.06518	6.4
99.04449	10.4
99.08081	13.8
103.05412	4.4
105.07006	15.3
107.04949	7.8
107.08584	39.7
109.02819	3.3
109.06495	13.3
109.10171	17.7
111.08041	4.5
117.06975	2.8
119.08556	12.8
121.06514	17.4
121.10143	34.2
123.04429	14.3
123.08060	19.9
123.11668	3.9
124.04754	6.9
125.06013	4.6
125.09637	9.1
127.03925	8.7
129.07031	2.8
131.04866	6.0
131.08534	14.3
133.10120	22.7
135.08040	16.1
135.11693	5.3
137.05943	6.1
137.09610	9.1
139.11182	4.5
141.05421	3.1
145.10086	4.1
147.08044	9.0
147.11696	9.8
149.08496	4.6
149.09613	60.6
149.13249	14.8
151.11145	23.2
153.01825	7.8
153.09099	8.7
157.81810	3.4
161.13248	4.3
163.03905	4.8
163.11157	4.0
163.14799	30.4
164.04263	5.1
165.05481	7.6
165.09113	6.1
167.07082	4.5
173.13245	23.3
177.05455	35.0
178.05769	27.7
179.14354	3.7
191.14284	57.8
198.71336	2.9
205.04944	16.9
206.05316	17.5
209.08086	9.4
209.15358	100.0
211.09572	3.3
217.07243	5.3
219.10191	3.8
227.16446	12.5
236.09216	21.3
237.09435	35.1
249.02924	3.6
249.09528	4.9
255.06462	4.9
257.04547	20.7
272.53375	3.9
283.05960	8.4
286.20181	15.3
311.05475	11.7
353.06506	3.6
371.13336	8.4
379.64023	3.7
389.13809	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01862	6.9
55.05497	7.4
57.03415	2.1
57.07068	15.5
65.03911	3.7
67.05492	35.3
68.76205	1.6
69.03410	9.2
69.07043	9.6
69.77283	12.4
71.04970	17.7
71.80704	1.7
79.05474	16.2
81.03419	1.6
81.07043	18.8
83.01328	3.4
83.04972	6.5
85.06543	4.4
91.05464	16.7
93.07031	29.8
95.04951	66.8
95.08586	20.4
96.05288	2.4
97.02892	3.1
97.06509	7.1
97.10232	1.8
99.00792	4.0
99.04391	2.1
105.07010	36.1
107.04941	7.4
107.08574	38.8
109.02850	2.4
109.06494	17.0
109.10140	23.0
111.04437	2.6
111.08082	7.7
113.05980	17.9
114.71831	1.7
115.05464	3.1
117.07011	7.1
119.04935	5.4
119.08559	17.0
121.06507	10.0
121.10112	41.2
123.04415	6.7
123.08054	9.8
123.11685	20.3
125.05921	4.2
125.09569	2.5
127.03901	5.9
128.06210	5.0
129.07004	3.3
130.07782	2.2
131.08553	6.8
133.06471	22.7
133.10100	28.6
135.04410	4.5
135.07178	1.7
135.08025	10.1
135.11662	74.9
135.82970	1.7
137.05945	48.0
137.09550	8.9
138.06250	1.9
139.03880	3.5
139.07513	5.1
141.05463	2.5
141.06943	2.6
142.07755	5.1
143.08559	8.6
145.06454	2.5
145.10071	8.6
147.08049	6.4
147.11635	11.1
149.02325	8.0
149.05963	4.7
149.09602	11.8
149.13220	2.2
150.43703	1.9
151.03847	2.9
151.07516	31.4
153.05435	11.0
153.09119	2.5
155.03381	2.4
155.06967	2.2
157.10092	7.6
159.08041	4.9
159.11673	6.1
160.08746	3.6
161.05965	7.9
161.09593	24.7
163.03873	2.5
163.07520	11.1
163.11166	7.9
165.05475	2.1
165.09186	3.2
167.08490	2.9
167.10690	3.3
168.09373	1.9
169.05009	3.8
169.08585	9.6
169.09972	3.2
169.12231	6.5
171.08054	4.9
171.11700	2.9
173.08220	1.7
173.09557	12.8
175.03972	1.8
175.07559	4.8
175.11150	29.7
177.05455	3.0
177.09070	5.1
177.12723	7.9
179.07019	32.7
179.08505	3.2
179.10606	3.7
181.04904	3.4
181.08556	8.5
181.09991	2.6
183.11720	4.2
185.09645	5.7
187.07556	4.1
187.11206	2.8
188.08282	3.6
189.05469	5.5
189.09102	17.9
189.16393	2.1
191.06981	40.2
191.10686	6.6
193.08583	4.0
193.10236	2.0
193.12285	5.8
195.11685	3.1
197.08055	39.1
197.09729	3.3
197.13284	2.3
199.07565	3.2
199.11215	4.8
201.09100	3.6
201.12752	2.4
203.06996	6.0
203.10631	77.8
204.11049	2.9
205.08546	20.4
205.09921	1.7
207.06485	33.6
207.08331	2.6
207.10048	2.8
209.08023	3.3
211.11252	3.1
215.10649	2.7
217.08591	17.2
217.12227	2.5
217.15840	4.3
219.10072	2.3
219.13753	2.7
221.08102	16.8
221.11638	18.8
223.09601	6.3
225.07562	2.4
227.10620	4.6
231.06557	2.8
231.10175	8.1
233.08075	2.7
239.08986	13.2
241.12238	2.8
245.11670	5.2
249.07571	13.8
249.11203	20.4
253.15726	2.5
267.08600	26.9
267.11679	2.6
269.11734	3.3
281.15231	2.3
285.18384	3.1
287.12796	4.1
293.15735	2.0
293.18729	3.5
295.16946	3.0
301.18036	2.7
305.09268	2.7
309.18463	5.1
311.16400	2.2
311.20059	2.8
313.14352	4.6
313.17868	38.9
321.09674	4.7
321.18475	5.1
325.17911	5.5
327.19501	2.9
329.17441	9.7
331.18964	59.3
332.19247	5.0
339.19571	5.5
343.18918	2.6
343.22653	7.8
347.18594	4.6
353.17380	18.7
353.21185	7.2
354.17468	3.0
371.18268	17.2
371.22211	100.0
372.22714	8.7
389.08664	3.6
389.19455	52.1
389.23389	23.9
390.19659	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	389.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
57.03433	3.6
57.07068	42.8
57.53598	0.7
58.07386	0.9
67.05482	1.2
68.28696	0.6
69.03115	0.6
69.03423	6.8
69.07041	1.0
69.45492	0.7
71.25533	2.2
79.05469	2.9
81.07034	1.2
83.01337	1.0
83.04943	1.4
85.06528	6.7
91.05460	3.4
93.07026	2.7
95.08599	2.1
95.51924	0.7
97.02333	1.2
97.02882	14.3
97.06496	2.3
103.05450	1.8
105.07015	78.6
106.07314	2.1
107.08566	4.2
108.34990	0.8
109.06482	1.1
111.04405	1.2
111.08092	1.0
113.02298	0.8
115.03934	0.8
117.06989	2.1
119.08570	5.4
121.06477	2.3
125.09599	4.4
129.06934	0.8
130.07738	2.8
131.08551	23.1
133.10072	0.9
135.08040	1.7
137.05914	1.7
142.07742	1.4
143.08524	2.3
145.10103	35.3
146.10896	20.5
147.11676	12.0
149.05954	16.6
153.09076	1.4
157.10088	2.2
161.09621	1.3
161.31654	0.7
163.11191	1.0
167.08551	0.9
171.07994	1.1
171.11661	0.9
173.09610	13.9
174.10309	1.5
175.11169	4.4
180.09297	1.2
181.08609	3.9
181.09944	0.7
182.10921	1.8
183.10086	1.2
185.13217	1.6
189.09064	2.6
191.10651	35.5
192.11115	1.3
193.12210	5.3
195.11670	2.8
197.13187	2.3
199.09628	100.0
200.10036	3.8
200.11569	0.8
213.12689	5.0
217.08557	1.1
223.11195	1.3
225.12738	1.1
231.13794	1.0
232.60184	0.7
241.12210	3.2
257.11722	1.9
259.13272	28.7
260.13623	2.2
277.14252	1.4
297.18579	1.1
305.13715	0.9
325.17868	1.7
327.19611	1.1
343.18997	5.3
353.17505	0.8
371.18402	6.1
389.19452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Renealtin B
Peak:m/z	Relative Intensity
53.03941	1.0
55.01862	8.3
55.05503	1.3
57.03420	2.3
65.03935	1.9
67.05488	2.8
68.99765	0.9
69.03418	0.7
69.07047	1.8
70.22906	3.8
71.04976	1.9
79.05472	2.5
81.03394	1.7
81.07033	2.8
82.04158	0.9
83.04981	1.1
83.08617	0.8
85.02892	2.9
85.86079	0.8
91.05463	2.9
93.07004	2.0
95.04939	4.1
95.08595	2.7
97.02905	1.0
97.06513	5.2
98.20811	1.1
99.08037	1.2
99.66029	0.8
103.05447	2.4
105.07021	1.7
107.04936	2.1
107.08598	0.9
109.02872	2.7
109.06509	0.9
109.10120	0.9
110.03603	1.2
111.04407	1.1
111.08044	1.2
113.09692	0.9
115.05396	1.5
119.04932	8.6
121.06514	1.8
121.10155	1.7
122.10454	0.9
123.04411	100.0
124.04742	1.7
125.05975	1.1
127.03907	2.3
129.06963	1.2
131.04918	2.8
131.08559	1.1
133.06465	2.0
133.10118	3.2
134.10428	1.9
135.04393	2.4
137.02310	1.2
137.05922	6.8
139.03876	28.4
140.04242	2.0
141.04384	0.8
142.02487	0.8
143.04909	2.5
145.06476	1.9
147.04388	28.0
149.06009	3.7
150.13544	0.9
151.03886	37.8
151.07486	1.5
152.04257	1.2
153.05440	1.4
153.40529	0.7
157.06429	0.9
159.04422	1.0
161.05956	11.7
162.06277	0.7
163.03902	6.1
163.07510	1.7
165.05449	22.2
167.06979	4.0
169.04959	2.8
171.06537	0.9
173.05952	16.6
174.13496	1.1
175.03888	0.9
175.07530	2.6
176.04660	3.2
177.05449	20.6
179.03346	0.8
179.07021	2.9
181.04942	15.2
181.06424	1.4
181.08594	3.0
183.06693	0.8
187.07471	1.0
188.47470	0.7
189.05426	3.6
189.09062	1.7
191.07011	7.3
191.14288	2.2
192.14629	3.1
193.04942	1.5
193.08577	51.4
194.08910	1.6
195.75566	0.7
203.06964	1.3
203.10669	1.1
205.08508	3.9
207.06491	11.5
207.08273	1.1
209.08043	10.0
209.09885	1.2
217.08553	1.4
219.06654	1.3
219.10123	20.3
220.10464	1.1
223.09700	1.9
227.20114	2.0
231.10187	1.8
237.11201	7.1
239.07042	0.7
243.06572	1.3
249.07462	1.2
249.11246	2.4
257.08130	0.8
277.08563	1.5
285.07553	3.2
291.08493	5.4
303.08585	8.1
311.09097	2.9
327.12286	5.3
329.10110	16.1
330.10437	0.9
339.12286	1.9
345.13257	28.8
346.13696	1.0
353.13882	5.9
357.13995	0.9
359.14667	1.0
371.14847	21.7
372.15207	1.1
389.15869	30.1
390.16269	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1437
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
50.34438	2.5
52.38824	2.5
55.01857	8.9
55.05242	5.2
55.05503	99.2
55.90462	2.5
57.03415	5.9
61.02909	6.7
67.05515	4.2
68.99795	3.7
69.03402	6.0
69.07061	3.4
70.06588	13.3
70.71552	6.0
71.04981	5.5
73.06535	11.7
75.33126	2.6
79.05463	4.0
81.03403	8.9
81.07048	5.8
83.04968	18.7
84.04454	2.4
84.08183	3.2
85.02892	38.2
86.09706	3.2
91.05427	6.3
93.07024	5.4
95.04941	9.2
95.08595	7.2
97.02872	9.2
97.06516	3.5
99.04424	3.2
101.05992	27.3
102.15561	2.8
103.03943	10.5
105.03395	8.2
105.07018	9.0
107.04906	5.7
107.08587	10.0
109.02863	10.2
109.10157	5.8
110.94410	2.8
119.04927	7.1
119.07102	2.6
119.08560	11.4
121.02841	15.2
121.10112	8.3
123.04407	27.9
124.44102	3.4
127.03896	12.6
131.08530	7.4
133.10056	14.1
135.04385	4.9
135.08037	3.9
135.11664	2.7
137.02309	3.1
137.05989	8.8
137.09534	5.1
139.03882	26.4
139.24825	2.7
145.10100	3.3
147.04358	9.4
149.02298	6.2
149.05876	3.9
149.13257	4.4
151.03889	100.0
151.11215	3.6
151.38292	2.7
153.01796	6.8
161.05937	6.0
161.09700	3.0
161.13292	3.4
163.03882	39.4
165.01881	17.1
165.05469	11.0
167.03360	7.3
167.07008	6.9
169.04990	18.9
173.09654	4.0
173.13306	5.2
175.03891	11.3
175.07472	4.1
177.01805	23.6
177.05450	8.2
181.04871	7.0
183.02844	15.4
189.01814	9.8
189.05463	10.1
191.03374	18.8
191.06967	5.3
191.14290	12.0
193.04929	72.4
195.02861	46.6
205.05014	10.4
205.08530	8.4
209.04356	3.1
209.08075	6.9
209.15282	15.4
211.09645	3.5
217.01300	3.5
217.04947	12.5
217.08473	2.8
219.02921	13.1
219.06500	7.7
221.08054	29.9
223.05965	8.6
227.09129	9.3
227.12541	4.4
227.16428	10.9
231.02817	18.8
233.08049	38.8
235.05962	34.5
239.09065	21.6
245.08052	5.4
247.09613	5.8
249.03896	9.4
251.09097	37.8
253.07022	44.9
261.03891	7.2
263.09067	3.4
269.10156	8.8
271.08057	4.5
275.09091	16.3
287.09094	35.8
293.10135	37.1
299.09052	5.9
305.10168	17.4
317.10199	9.6
335.11243	12.4
347.83270	2.8
353.12210	9.2
370.62631	2.9
371.13425	6.0
383.11722	3.3
389.17404	22.9
389.23557	7.8
406.54065	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	389.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53614	0.1
53.03913	0.2
55.01863	1.2
57.03431	1.2
60.92967	0.1
61.02915	0.9
65.03933	0.3
69.03367	0.6
69.88330	1.0
70.51294	0.1
71.04935	0.2
73.02876	0.3
81.03398	1.2
81.06974	0.2
83.04922	0.3
85.02893	3.1
86.09683	0.2
87.48612	0.2
90.35343	0.1
91.05428	0.3
93.03351	0.2
93.06975	0.4
95.04919	0.2
95.08525	0.3
97.02870	0.8
97.06473	0.3
98.21439	0.1
99.04427	0.2
103.03883	0.7
105.03315	0.2
107.04889	0.4
107.08527	0.2
109.02858	1.6
115.05393	0.2
117.06914	0.2
119.08544	0.2
121.02830	0.9
121.06416	0.2
121.10099	0.2
123.04409	1.0
124.04697	0.3
125.09517	0.2
127.03860	0.4
131.04802	0.2
131.08510	0.2
133.10056	0.4
135.04361	0.3
135.07994	0.2
137.02335	1.7
137.05923	0.2
137.09552	0.3
147.04370	0.2
147.63130	0.2
149.09579	0.5
153.03256	0.2
153.06926	0.2
155.04852	0.2
157.02823	0.4
157.06404	0.1
161.05907	0.2
163.03830	0.2
163.14812	0.2
164.04184	0.2
165.06985	0.2
167.07039	0.2
167.08369	0.2
168.90649	0.1
169.02824	0.3
171.04362	0.2
173.13141	0.2
175.03850	0.4
177.05496	1.0
177.06873	0.2
178.04713	0.1
178.05803	1.2
181.06343	0.4
185.05963	0.4
189.05370	0.3
191.14291	0.7
195.08246	0.2
195.95840	0.1
197.05939	0.2
199.03819	0.5
199.07574	0.2
201.05437	0.9
202.05719	0.2
203.03409	1.3
205.04892	0.4
205.06583	0.2
206.05176	0.6
207.02890	0.3
207.07944	0.2
209.05852	0.4
209.15306	1.1
211.03931	0.2
212.04623	0.3
213.05388	1.6
215.03198	0.2
217.04948	0.2
221.05968	0.2
223.07527	0.3
225.05449	0.6
227.03337	0.6
227.06987	2.7
227.16389	0.7
229.01250	0.5
229.04921	4.1
230.05252	0.2
231.02727	0.3
236.09161	0.8
237.05453	2.7
237.09373	1.0
239.03381	0.4
239.06975	0.6
240.04054	0.4
241.04912	5.2
242.05212	0.2
244.03603	1.4
245.04410	5.6
246.99905	0.3
247.02336	3.4
249.05421	0.3
249.09436	0.2
251.06995	1.1
253.04890	1.3
254.05653	0.4
255.02992	0.6
255.06487	19.9
256.04248	0.2
256.06750	0.8
257.04401	100.0
258.04764	4.4
258.07062	0.1
261.05374	0.5
263.06982	0.6
265.04947	2.4
266.05481	0.3
267.06454	1.5
268.03702	1.0
269.04422	13.0
269.07874	1.0
270.04733	0.5
271.02527	1.1
271.05801	1.5
277.04779	0.3
278.05646	0.2
279.06476	4.3
280.06906	0.2
281.04419	6.2
282.05103	1.3
283.02536	3.1
283.05951	43.6
284.06287	2.2
285.03839	0.5
287.05469	1.4
289.04974	0.8
294.05197	0.7
295.05969	3.5
297.04019	0.7
297.07501	5.5
298.07791	0.3
299.05423	0.5
305.04459	0.5
307.05951	5.2
309.03922	1.6
311.05441	51.2
312.05780	2.1
323.05441	18.4
324.05826	0.8
325.07056	1.9
335.05450	14.4
336.05826	0.7
341.06509	11.3
342.06830	0.6
353.06500	18.8
354.06943	0.8
371.07578	15.6
371.12463	0.5
372.07922	0.7
389.08655	11.3
389.14011	0.9
390.08911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28376	0.7
52.89936	0.7
55.01854	1.5
55.05501	1.4
56.96557	10.8
57.03418	2.2
58.54136	0.7
59.30743	0.8
61.02913	2.2
67.05502	0.8
68.94270	0.7
69.03427	5.9
69.58356	6.9
70.06573	2.1
72.08133	2.4
73.02902	3.5
74.06019	0.7
74.97603	0.8
79.05496	2.1
81.03390	2.6
82.06544	1.4
83.04971	2.1
84.04485	1.4
84.08128	3.3
84.96020	1.8
85.02892	12.9
86.09712	3.8
88.14701	0.8
89.03909	11.7
93.03394	1.4
93.07027	0.8
95.04951	2.5
97.02895	4.7
98.20703	1.5
98.97559	7.0
99.04438	1.8
102.05551	1.1
107.04944	2.4
107.39796	0.9
108.05270	0.9
109.02843	1.0
110.97498	1.2
111.04391	1.5
115.07069	0.8
116.98634	5.1
117.03381	9.7
119.01855	2.7
121.02837	2.7
123.04419	1.4
124.99134	1.5
125.00014	0.8
127.03905	4.6
128.02309	2.1
128.98578	3.0
129.10234	0.9
130.08549	0.9
131.01894	1.3
134.99661	3.3
135.04390	17.8
137.02907	1.8
137.06058	0.8
139.03880	2.2
139.50975	0.8
143.00153	8.6
145.02826	8.1
145.03630	2.5
145.04944	2.2
146.99664	4.0
149.01201	0.8
150.62369	0.8
151.03902	1.2
152.06898	1.0
153.03986	0.9
158.99629	2.7
159.03282	1.0
159.83458	0.7
161.01242	11.0
163.03886	100.0
164.04193	5.3
164.06937	0.8
165.00734	0.8
166.06183	0.8
169.03497	3.9
170.99660	2.8
171.01360	1.9
171.05020	1.9
172.95158	1.3
173.01149	0.9
173.02986	1.3
175.11934	1.4
175.51854	1.1
177.00688	3.6
179.02200	1.8
182.01741	1.0
185.01237	2.7
186.96790	1.3
186.99210	1.6
187.02750	1.9
187.04477	2.6
188.97055	1.2
189.00699	5.6
189.02274	1.3
189.04172	1.1
191.00198	0.8
191.02217	1.7
191.03906	2.1
192.62677	0.8
193.00034	1.0
195.01703	0.8
197.02864	5.7
199.23787	0.8
200.04370	2.0
200.07640	1.0
201.00722	2.5
203.02208	3.4
205.00235	1.4
205.03778	1.3
206.02625	1.6
206.04433	1.0
207.01625	0.9
213.03471	1.0
215.04068	3.3
217.58241	1.1
218.06252	1.0
219.01698	4.7
221.03099	1.7
223.01096	1.0
226.53427	1.1
227.03223	17.6
227.08778	4.6
231.01831	2.4
235.56274	0.9
237.02811	4.0
239.04031	1.7
244.06677	1.2
245.03203	1.7
247.04674	1.3
248.99199	3.5
249.02834	7.0
255.01540	0.9
255.04024	1.1
257.04938	1.4
261.02838	1.1
263.03735	0.9
265.05472	1.9
267.00372	1.9
267.03818	8.4
273.02533	1.2
275.06186	1.3
279.03891	1.8
283.06570	4.1
285.04938	3.3
287.07199	1.2
291.03769	4.2
294.06155	1.2
299.03458	1.0
301.04257	1.5
301.07639	5.6
307.07022	1.0
309.04898	4.0
321.01553	1.1
321.05206	1.1
324.09183	1.0
327.05716	1.7
328.98676	0.9
329.03470	1.5
337.04706	0.9
345.06421	3.6
347.00473	2.0
351.06036	1.1
389.08362	38.3
389.13062	15.0
389.17795	36.0
390.07803	1.5
390.12387	1.9
393.03326	1.6
405.07156	2.3
407.10599	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	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.8
55.05494	4.1
57.03435	2.2
57.31398	1.1
65.03920	1.9
67.05488	5.0
69.03394	2.7
69.07061	5.5
70.06405	1.5
70.06821	5.7
71.04985	12.2
74.09708	1.1
77.03890	1.3
79.05491	6.0
81.03391	2.5
81.07040	8.0
82.38407	1.2
83.04961	1.4
83.08621	2.2
85.02892	4.6
85.06545	6.6
91.05475	4.5
93.07041	6.9
95.04951	6.4
95.08591	9.4
97.02885	1.5
97.06513	35.9
98.06844	9.6
98.20661	1.2
99.58472	1.3
103.05463	1.7
105.03367	1.4
105.07011	9.1
107.04931	2.6
107.08577	12.1
109.02860	3.7
109.06520	5.1
109.10110	3.2
111.04414	3.3
111.08057	3.3
115.05461	2.0
117.03236	1.0
117.07033	1.4
119.04909	7.8
119.08562	5.1
121.06490	2.4
121.10130	21.2
122.10460	1.5
123.04411	100.0
123.08042	3.7
124.04748	4.9
125.05958	1.4
127.03863	2.7
129.06998	1.2
131.04887	2.6
131.08516	4.4
133.06483	1.5
133.10112	64.8
134.10458	2.3
134.47952	1.1
135.04391	2.8
135.08055	11.3
135.11664	1.5
137.02286	2.4
137.05966	10.3
138.06253	2.5
139.03880	68.2
140.04213	21.6
143.04903	2.3
143.08524	1.4
145.06465	2.2
145.10121	3.8
147.04381	29.1
147.11655	11.0
149.05966	3.1
149.09544	2.5
149.13237	10.2
151.03885	44.6
151.07455	1.8
153.05429	3.4
157.06503	1.5
158.10893	2.6
161.05965	11.2
163.03877	11.0
163.07439	1.5
163.11186	1.6
163.14847	1.5
164.04210	2.4
165.05437	21.2
167.06992	4.0
169.04956	4.7
173.05977	17.2
173.13226	20.2
173.14577	1.5
175.07509	1.7
176.04626	1.9
177.05460	17.3
177.09068	1.4
179.07024	3.9
181.04930	12.5
181.08582	4.7
183.20895	1.1
189.05421	4.4
189.09055	2.6
191.07039	6.1
191.14285	68.0
192.14716	2.4
193.08580	51.6
203.07008	1.3
203.10707	1.5
205.08566	5.2
207.06519	11.7
209.08046	6.5
215.06741	1.2
217.08611	2.4
218.08882	2.3
219.06647	1.3
219.10136	31.3
220.10503	15.5
223.09599	2.3
231.10117	1.5
237.11232	10.1
249.07413	1.6
249.11162	2.1
273.07489	2.0
285.07590	3.4
291.08566	5.1
303.08676	7.3
311.09186	2.3
326.47989	1.2
327.12204	4.0
329.10141	18.8
329.13721	2.4
345.09244	2.0
345.13284	29.3
346.10776	1.4
353.13644	6.6
362.58456	1.2
367.37421	1.2
371.07419	1.2
371.14868	24.8
388.14444	2.8
388.18945	1.1
389.15897	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	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.8
55.05494	4.1
57.03435	2.2
57.31398	1.1
65.03920	1.9
67.05488	5.0
69.03394	2.7
69.07061	5.5
70.06405	1.5
70.06821	5.7
71.04985	12.2
74.09708	1.1
77.03890	1.3
79.05491	6.0
81.03391	2.5
81.07040	8.0
82.38407	1.2
83.04961	1.4
83.08621	2.2
85.02892	4.6
85.06545	6.6
91.05475	4.5
93.07041	6.9
95.04951	6.4
95.08591	9.4
97.02885	1.5
97.06513	35.9
98.06844	9.6
98.20661	1.2
99.58472	1.3
103.05463	1.7
105.03367	1.4
105.07011	9.1
107.04931	2.6
107.08577	12.1
109.02860	3.7
109.06520	5.1
109.10110	3.2
111.04414	3.3
111.08057	3.3
115.05461	2.0
117.03236	1.0
117.07033	1.4
119.04909	7.8
119.08562	5.1
121.06490	2.4
121.10130	21.2
122.10460	1.5
123.04411	100.0
123.08042	3.7
124.04748	4.9
125.05958	1.4
127.03863	2.7
129.06998	1.2
131.04887	2.6
131.08516	4.4
133.06483	1.5
133.10112	64.8
134.10458	2.3
134.47952	1.1
135.04391	2.8
135.08055	11.3
135.11664	1.5
137.02286	2.4
137.05966	10.3
138.06253	2.5
139.03880	68.2
140.04213	21.6
143.04903	2.3
143.08524	1.4
145.06465	2.2
145.10121	3.8
147.04381	29.1
147.11655	11.0
149.05966	3.1
149.09544	2.5
149.13237	10.2
151.03885	44.6
151.07455	1.8
153.05429	3.4
157.06503	1.5
158.10893	2.6
161.05965	11.2
163.03877	11.0
163.07439	1.5
163.11186	1.6
163.14847	1.5
164.04210	2.4
165.05437	21.2
167.06992	4.0
169.04956	4.7
173.05977	17.2
173.13226	20.2
173.14577	1.5
175.07509	1.7
176.04626	1.9
177.05460	17.3
177.09068	1.4
179.07024	3.9
181.04930	12.5
181.08582	4.7
183.20895	1.1
189.05421	4.4
189.09055	2.6
191.07039	6.1
191.14285	68.0
192.14716	2.4
193.08580	51.6
203.07008	1.3
203.10707	1.5
205.08566	5.2
207.06519	11.7
209.08046	6.5
215.06741	1.2
217.08611	2.4
218.08882	2.3
219.06647	1.3
219.10136	31.3
220.10503	15.5
223.09599	2.3
231.10117	1.5
237.11232	10.1
249.07413	1.6
249.11162	2.1
273.07489	2.0
285.07590	3.4
291.08566	5.1
303.08676	7.3
311.09186	2.3
326.47989	1.2
327.12204	4.0
329.10141	18.8
329.13721	2.4
345.09244	2.0
345.13284	29.3
346.10776	1.4
353.13644	6.6
362.58456	1.2
367.37421	1.2
371.07419	1.2
371.14868	24.8
388.14444	2.8
388.18945	1.1
389.15897	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28923	1.0
53.03942	4.6
55.01865	8.3
57.03434	5.5
61.02928	5.0
68.99783	3.2
69.03421	29.3
71.04987	4.5
71.07732	2.6
73.02897	5.4
78.27658	1.0
79.05487	1.5
81.02946	1.3
81.03408	23.8
85.02898	100.0
86.03213	1.3
87.00818	38.3
87.04497	0.9
88.08498	0.9
91.03938	2.6
97.02887	29.5
98.06065	1.0
99.04448	12.6
103.03958	1.6
105.01858	75.1
105.07028	11.6
108.04453	4.2
109.02870	29.4
115.03882	1.3
117.01831	3.2
122.90972	0.9
123.04422	1.4
126.05568	1.6
127.03905	71.4
128.04245	1.0
129.01822	3.2
133.50752	0.8
137.05992	0.9
139.03868	2.4
140.04243	1.1
145.04944	38.1
145.06097	2.0
147.02864	2.3
153.01750	1.6
159.02869	13.7
163.03889	1.2
164.04179	1.6
171.02974	1.1
177.03954	1.5
189.03944	3.4
191.10699	2.2
201.00163	1.1
208.14137	1.1
209.11768	2.0
213.03925	4.5
213.09097	2.1
225.07597	1.6
226.07959	2.3
230.06477	1.4
231.04980	29.1
231.10114	1.6
233.66454	1.0
248.07710	3.2
249.06091	10.5
388.15811	3.8
388.20410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26812	0.4
53.03952	0.6
55.01865	1.1
55.05502	0.6
61.02914	1.1
65.15070	0.4
67.05486	0.6
68.74879	0.4
69.03421	3.0
69.07077	0.5
70.06575	0.5
70.90439	0.7
70.90776	0.8
71.04972	0.8
71.51107	0.4
73.02912	0.6
79.05487	4.4
81.03406	1.7
81.07058	0.6
83.04940	0.7
83.45323	0.5
85.02896	9.5
86.09676	0.7
87.00815	4.4
91.05469	1.0
95.04955	1.8
95.08629	0.5
97.02880	4.1
99.04436	1.7
103.05447	3.4
105.01854	9.6
105.07021	100.0
106.07354	2.8
107.08566	0.5
108.04424	0.6
109.02872	2.6
109.10179	0.5
119.04924	1.1
119.08568	0.9
122.09629	1.0
123.04408	1.2
127.03907	8.5
131.04909	0.8
131.08600	0.8
133.06462	0.7
133.10115	0.8
137.05956	2.7
138.06343	1.0
139.03891	10.1
140.04205	4.3
143.08588	0.6
145.04930	6.7
145.06508	0.8
145.10080	1.4
149.05972	1.1
150.06316	0.6
151.07561	0.5
159.02921	0.9
161.05914	2.1
162.06358	1.1
163.03876	6.7
164.04233	5.5
165.05484	0.7
165.09161	0.8
166.09525	0.5
167.07011	1.2
168.07352	0.7
173.09483	0.6
173.13263	1.1
175.07539	1.1
176.07901	1.6
177.05328	0.6
180.03593	0.5
181.04893	1.0
189.03908	0.6
189.09111	1.9
190.09441	2.1
191.10699	1.0
193.08659	0.6
194.08879	0.8
201.09331	0.5
203.10826	0.5
204.07329	0.5
209.15332	0.5
210.13795	0.5
213.09105	1.1
217.08505	0.5
219.10207	1.1
220.10390	1.0
226.05302	0.8
231.04993	4.3
249.05997	2.9
280.49780	0.5
317.10126	0.5
318.44855	0.5
326.10989	0.6
358.13959	0.7
370.13745	0.8
372.47546	0.6
388.14789	1.9
389.11771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.05500	4.7
57.07064	47.1
59.04983	1.0
67.05489	2.2
69.03429	5.9
69.07063	6.0
70.68308	1.1
70.68658	3.4
71.01286	0.9
79.05476	7.2
81.07043	4.8
81.07432	0.9
83.04966	12.5
83.08577	1.1
85.06534	9.4
91.05452	6.2
93.07028	32.3
95.04932	3.4
95.08593	5.8
97.06499	2.1
97.10126	1.1
101.09634	1.8
103.05452	1.9
105.07017	15.6
107.08572	30.7
109.02839	1.9
109.06529	2.1
109.10136	3.3
110.85883	0.9
112.74449	0.8
119.08549	7.6
121.06487	11.5
121.10121	100.0
122.10896	3.9
123.08044	8.5
123.11677	3.9
125.09608	0.9
127.07513	2.7
131.08533	1.7
133.10088	2.5
135.08043	5.2
135.11667	35.9
137.09644	1.0
137.13225	1.8
143.08524	1.2
145.10083	6.2
147.07933	1.2
147.11697	2.7
149.09590	2.5
149.13240	1.2
157.10104	2.6
159.08017	9.7
159.11678	1.5
161.13210	1.1
163.11154	56.0
164.11533	1.5
165.05435	1.4
165.09079	3.3
167.10655	32.9
169.10086	4.8
169.12192	3.2
171.11697	2.5
173.09554	3.0
181.12241	2.4
183.10170	4.5
185.13142	1.0
187.11201	1.2
189.12645	1.2
189.16354	3.1
201.16257	1.1
203.18082	0.9
205.12210	3.1
205.15697	1.1
207.17403	4.0
209.13330	1.3
211.14821	3.9
213.16307	1.4
219.17355	2.8
229.15840	28.5
230.16209	1.3
231.17506	4.2
233.15289	2.4
245.15327	1.2
263.41946	0.9
269.18933	2.8
275.54309	0.8
285.22076	1.2
287.19968	2.6
298.96304	0.9
303.15726	2.7
329.24719	7.1
369.27887	6.9
387.21420	0.9
387.28958	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	387.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75434	1.2
55.05513	1.5
57.07066	6.0
60.56852	1.2
67.05505	1.9
69.06699	2.0
69.07058	34.0
69.90314	8.9
71.04967	1.3
76.46667	1.1
77.16628	1.1
79.05473	3.8
81.07045	8.2
83.01349	2.5
83.04951	1.1
85.06524	1.4
91.05494	1.9
93.07004	3.4
95.08588	7.5
97.06513	3.9
105.07025	2.0
107.08537	2.0
109.06510	7.7
121.10122	3.6
123.08043	8.9
127.07495	2.2
135.07991	2.0
135.11688	2.1
137.05940	2.4
139.03877	3.7
141.05463	7.2
145.10097	1.7
147.08005	1.6
149.05981	10.1
149.09496	2.2
151.07506	17.2
153.05432	24.0
159.08014	1.9
163.07524	2.5
165.05476	31.9
165.09065	2.4
173.09613	1.6
175.07462	2.0
177.05443	5.4
177.09113	6.0
187.07545	2.4
189.09116	2.1
191.07039	2.0
191.10677	1.5
192.07790	23.5
193.08514	7.7
201.09084	2.7
204.07866	1.7
205.08609	3.2
207.10126	2.7
215.10577	1.8
219.10164	19.7
221.11707	9.9
225.11198	2.8
229.08501	1.9
231.10126	17.2
233.11670	2.1
237.11205	53.9
238.11467	1.4
243.10133	9.2
247.09552	2.5
247.13280	13.6
249.11215	31.6
261.11197	100.0
262.11386	5.7
283.13239	4.2
299.16388	36.2
300.16641	2.1
301.14307	51.5
302.14587	2.5
303.16183	2.3
303.19537	6.1
305.17456	1.6
317.17487	5.9
319.15323	21.3
319.19000	13.2
331.15436	12.1
331.18948	2.8
369.20560	1.7
387.21506	3.2
387.25574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2524
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
53.03927	0.7
55.01859	0.8
55.05493	1.0
57.03424	1.7
57.07064	9.2
67.01849	2.2
67.05473	2.1
69.07056	26.7
69.99826	2.6
70.00231	1.1
70.07364	0.8
79.05446	1.3
81.07043	8.7
83.01347	2.1
84.44712	0.7
85.06516	1.1
85.72570	0.7
91.05485	1.5
93.07030	2.3
95.04929	1.2
95.08591	12.7
98.21429	1.4
107.08588	1.3
107.46482	0.6
109.02902	0.8
109.06499	1.6
119.08480	0.7
121.02809	0.8
121.06479	2.2
121.10140	1.4
127.03889	0.8
132.96831	0.8
135.08032	1.9
137.05966	3.2
139.03864	2.4
145.10194	1.0
149.05981	5.0
153.05447	10.0
161.05891	0.8
163.07504	2.1
163.11208	1.7
165.05457	38.7
166.05852	1.0
167.06990	2.8
173.09656	2.1
176.67862	0.7
176.79779	0.7
177.05446	26.2
177.09023	5.2
179.10730	0.9
182.03925	0.6
183.06490	1.8
191.06981	0.9
191.10609	3.6
195.06506	100.0
196.06819	2.5
201.09094	1.8
207.10094	1.8
209.08063	1.2
209.11696	2.3
217.08592	0.8
219.10136	34.6
220.10413	1.6
221.11690	17.8
225.11258	3.4
233.11813	0.8
235.13264	1.8
237.11183	58.9
238.11418	1.8
247.13266	28.0
248.13396	0.9
251.12727	1.1
287.13126	0.8
303.16074	1.9
303.19437	11.7
305.17474	2.5
317.17413	1.7
319.18997	26.5
331.19092	2.5
387.25650	3.5
414.09052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.5
56.66836	1.0
56.96562	1.0
60.04511	1.0
62.06069	1.7
64.99624	0.9
67.05515	1.0
69.03412	2.2
70.06561	1.3
71.47108	2.5
73.02933	1.0
74.02486	1.0
81.03403	1.0
85.02897	5.2
93.07058	1.2
95.08577	1.1
97.02891	1.9
97.06488	1.2
99.04423	0.9
100.11251	1.3
105.07005	1.9
107.04931	1.7
109.06493	1.6
111.08064	1.0
118.78307	1.1
121.06503	1.1
121.10128	1.6
123.04440	4.7
127.03939	1.5
137.02362	1.3
144.08060	2.2
145.04938	2.9
146.05270	1.5
147.04398	1.4
163.03889	2.6
163.11189	1.2
165.06976	2.4
167.07018	8.5
167.08556	10.0
171.08047	1.7
177.07004	3.9
178.07755	3.9
179.08536	3.4
181.06523	1.0
181.10123	1.5
183.08182	1.0
189.01836	1.2
189.12726	1.5
191.03346	1.3
191.06824	1.6
191.08548	27.8
193.10144	6.6
194.07269	1.2
195.08002	9.9
197.09613	1.7
202.07753	3.0
203.08514	3.9
205.06415	1.4
207.08041	3.1
207.13808	2.5
208.08788	2.6
208.11066	1.2
209.09561	3.0
212.10724	3.1
217.01395	2.3
217.08788	1.9
218.07343	1.9
218.09618	1.7
219.08034	34.0
220.08440	2.3
221.09610	10.0
222.09221	1.1
223.07484	7.5
224.10725	2.1
225.09021	3.2
225.11073	1.9
227.07005	1.5
227.17384	1.8
229.07545	1.7
235.02336	2.6
236.10696	32.3
237.09030	3.3
237.11145	1.9
238.12260	20.5
240.10188	23.8
242.99579	2.2
247.02306	2.0
247.07544	2.1
251.07101	2.3
253.13344	93.5
254.11577	18.7
254.13672	2.9
264.10150	3.9
265.08557	8.7
269.08051	2.9
278.11713	1.7
280.13330	1.4
282.11230	39.0
283.11658	1.4
284.12988	1.3
284.18555	2.7
286.10712	2.0
293.08063	1.2
295.14386	20.0
299.13892	64.1
300.12109	3.7
300.14697	2.2
311.09177	1.6
323.13843	2.8
324.12250	5.0
328.11780	12.3
341.14929	100.0
342.15628	7.8
343.13525	2.9
345.14417	24.4
346.15024	1.3
370.12885	3.3
387.04071	1.1
387.16083	28.4
388.16315	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
65.03917	1.1
67.05494	1.3
68.99777	1.3
69.07033	0.5
70.54885	0.4
71.18922	1.4
75.73285	0.4
83.04956	1.2
91.05446	0.7
93.03378	1.1
95.04955	0.8
97.02923	0.5
97.06525	1.6
103.05476	0.8
105.07002	0.7
111.04420	3.3
115.05464	0.5
117.07009	0.8
119.04877	0.7
119.08533	0.9
121.92987	0.5
123.04428	4.3
128.06166	0.5
129.07062	0.7
131.04893	2.1
132.01945	0.5
135.04367	0.4
137.05965	3.2
139.03883	100.0
140.04222	2.7
141.06981	0.7
143.08531	0.8
145.06464	1.4
147.04433	0.9
147.08038	0.5
149.05948	3.2
151.03905	1.4
153.05501	0.8
155.03229	0.6
160.01477	0.5
160.05190	1.5
161.05963	5.2
161.09517	0.6
163.03886	14.5
163.07567	1.3
164.04268	0.8
165.05487	1.1
165.09076	0.8
167.07086	0.7
169.10046	0.7
171.07979	0.8
173.06027	1.2
175.07541	3.6
177.05417	0.9
179.03383	1.3
181.04929	1.2
186.06766	0.8
187.07538	1.1
189.09048	4.7
191.06970	0.7
191.10654	2.8
193.04933	0.5
193.08601	1.4
195.07986	0.5
197.06117	0.6
197.09520	0.5
199.07553	0.5
200.08279	0.6
201.09059	5.0
203.10667	1.0
205.08545	0.7
213.09125	1.0
214.06274	0.9
215.10643	3.8
217.08615	1.1
219.10135	11.2
220.10526	1.1
225.09099	0.9
231.10123	3.1
243.10136	7.1
260.16492	0.6
261.11185	2.0
313.07153	0.8
321.07965	0.5
325.10593	2.0
351.12146	1.6
369.13272	1.8
387.14279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
55.01856	0.9
65.03921	1.2
67.05499	1.1
68.99768	1.2
69.07038	0.6
71.05250	1.1
79.05479	0.8
79.93239	0.6
83.04972	0.9
85.06496	0.6
87.04455	4.8
91.05447	0.6
93.03362	0.8
95.04961	0.9
96.91968	0.6
97.02835	0.7
97.06490	0.7
103.05447	0.6
105.03369	2.0
105.07027	0.8
111.04411	3.8
121.02868	0.7
123.04392	4.1
125.17242	0.5
128.06213	0.7
129.06989	0.9
131.04887	1.5
137.05960	1.7
137.32475	0.6
139.03879	100.0
140.04199	2.9
141.06946	0.9
143.08578	1.0
145.06403	0.6
145.10077	0.6
147.04422	0.6
149.05933	3.7
151.03859	1.5
151.07462	0.5
153.05525	0.6
153.06920	0.9
153.55527	0.5
155.03349	0.9
155.08612	0.8
155.70332	0.5
157.06494	1.1
159.08070	0.6
160.05157	1.9
161.05960	5.4
163.03880	11.6
163.07515	1.0
167.07066	0.9
169.10071	1.0
171.08087	0.9
173.06001	0.9
173.09642	0.8
174.06735	1.1
175.07552	4.5
177.05455	1.6
177.09117	0.7
179.03378	1.7
180.87955	0.5
181.04893	0.9
185.09531	0.7
187.07571	1.3
189.09065	4.7
191.10664	3.7
193.04871	0.6
193.08591	0.7
197.09450	0.8
199.07552	0.6
200.08180	0.8
201.09085	7.2
203.10725	1.4
207.10191	0.9
213.09058	0.9
214.06190	0.9
214.18874	0.6
215.10605	3.8
217.08594	1.2
219.10135	11.5
225.09198	1.2
225.11299	1.3
231.10205	3.1
243.10150	5.1
249.11177	0.7
261.11206	2.0
325.10675	1.8
351.12222	2.1
369.13187	1.7
387.14539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01658	0.3
53.03930	0.8
54.89745	0.3
55.01861	1.7
55.05490	0.5
64.88872	0.3
65.03929	1.0
67.05506	2.7
68.99780	1.0
69.07050	2.8
69.98785	2.3
78.09337	0.3
79.05481	4.1
81.03418	0.5
81.07053	1.3
82.71159	0.3
83.04970	1.8
91.05473	0.7
92.45028	0.3
93.03397	1.7
95.04958	2.2
97.02900	0.8
97.06530	3.6
99.04447	1.0
105.07069	0.5
107.04993	0.9
111.04448	2.9
115.05489	0.5
117.07005	0.6
118.04194	0.4
119.04955	0.8
121.02843	0.5
123.04420	11.5
124.05200	1.3
127.03922	0.6
128.06190	0.4
129.07013	0.4
131.04953	1.9
131.05853	0.4
132.05670	0.4
133.06488	0.5
134.03593	0.5
135.04404	1.0
137.05966	0.7
139.03886	100.0
140.04225	3.3
141.06941	0.6
142.07739	0.5
144.05707	0.6
145.06482	2.0
145.10085	0.4
147.04387	3.1
149.05945	0.5
151.03914	0.7
153.05513	0.5
154.07664	0.3
155.08554	0.6
157.06549	0.4
158.07327	0.4
159.04419	1.1
159.07993	0.6
160.05211	2.4
161.05951	1.5
163.03877	3.6
164.04677	1.5
165.05563	0.6
167.03404	0.9
168.05696	0.3
173.05971	0.9
173.09605	0.5
175.07462	0.4
181.04892	1.0
185.09570	0.8
186.06737	1.1
187.03894	1.5
187.07599	0.4
187.11218	0.5
189.05484	1.5
197.09592	0.4
199.07289	0.3
201.09088	28.5
202.09593	2.7
203.10608	0.8
207.06514	0.4
214.06299	0.5
215.10608	0.9
219.10162	2.9
225.09074	0.8
229.08563	0.7
231.10187	2.2
233.11870	0.4
243.10117	4.4
249.11255	0.9
285.07748	0.5
285.11185	1.1
327.08597	2.8
327.12280	1.0
351.12259	0.6
362.31882	0.4
369.13300	20.7
370.13647	2.7
387.14398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1281
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
55.01861	3.3
57.03419	4.7
61.02911	3.9
67.05497	2.8
68.99794	2.9
69.03416	7.9
69.07126	1.4
69.66301	13.3
71.04972	1.9
79.05457	2.1
81.03391	2.9
81.07030	3.0
85.02892	26.1
91.35795	1.7
97.02885	7.6
98.21506	3.3
99.04440	2.1
104.75570	1.7
105.01851	4.9
105.07003	4.0
107.04932	2.7
107.08550	2.3
109.02854	4.4
111.04449	2.0
115.05475	2.4
119.08576	3.7
121.10165	1.8
123.04419	19.5
123.08062	10.7
123.11678	2.1
127.03895	12.5
129.06967	2.2
131.04877	3.0
135.04376	1.6
137.05954	11.3
139.03882	72.7
145.04970	3.9
145.09979	1.7
147.11678	4.4
149.05972	4.5
151.03864	3.1
151.07536	14.4
153.01816	27.2
160.05231	2.8
161.06004	9.1
163.03879	39.6
163.11186	1.7
165.01768	14.4
165.09113	1.8
165.12755	6.7
175.07556	11.1
177.03679	1.5
177.05484	1.6
179.07004	13.3
181.04907	2.9
181.12265	1.8
189.09068	10.4
191.03406	5.0
191.10677	4.9
193.08623	4.1
195.02895	5.7
195.23930	1.8
197.08049	3.3
201.09152	3.7
203.06978	2.1
203.10616	3.5
207.06499	46.4
207.13721	11.6
215.62056	1.9
217.08609	2.0
219.02802	2.2
219.10147	10.1
225.07533	100.0
225.14862	9.9
226.07874	4.5
231.04977	2.8
231.10115	2.5
235.09729	1.9
237.07538	9.1
249.07533	3.7
261.11328	2.2
267.08640	5.9
291.08539	5.1
303.08527	2.5
311.26831	2.0
315.08578	2.1
351.12338	2.1
369.13058	2.3
387.14166	5.2
387.19666	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	386.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01858	1.2
55.05502	4.8
57.03401	0.8
57.06799	0.6
57.07071	10.7
59.04988	0.7
61.02905	1.9
65.04795	0.5
65.46055	0.5
65.56831	0.5
67.01479	0.4
67.05494	0.5
68.99741	0.6
69.03417	3.2
69.44490	0.5
69.95507	1.8
69.95919	1.1
70.06587	1.0
72.33750	0.5
73.06539	0.9
81.03407	1.3
83.08596	2.8
83.09013	0.5
85.02383	0.6
85.02892	10.7
87.04436	0.8
89.06020	57.9
91.03988	0.5
91.05450	0.8
95.04967	0.7
97.02886	3.4
98.34570	0.6
99.04455	0.7
101.09644	8.9
105.07054	0.6
107.04816	0.5
107.07036	2.3
109.02885	1.1
109.60682	0.5
111.04412	0.7
114.24188	0.5
114.99911	0.5
119.10698	0.6
121.02817	0.8
123.04409	1.2
123.08025	0.7
127.03890	2.0
131.04868	0.9
133.06453	0.7
133.08589	16.7
137.05962	3.1
139.03883	13.7
145.04927	1.4
145.12215	9.7
149.05949	0.8
151.03917	0.7
151.09639	21.5
157.06415	0.5
160.05194	0.6
161.05942	2.9
163.03900	10.8
165.09058	0.9
167.07057	1.0
175.07500	2.4
189.09105	3.4
191.10620	1.1
193.08569	1.2
201.09099	0.6
207.15894	100.0
208.16180	2.7
219.10155	2.7
386.12305	1.3
387.14240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.1
55.05493	1.6
57.03427	16.3
59.04980	2.7
60.04289	0.8
60.04522	9.5
60.47700	0.9
61.02919	16.1
61.04031	2.6
69.03413	27.1
70.06583	2.6
71.01327	2.8
71.04971	2.2
71.11512	2.8
73.02905	77.1
81.03406	7.6
83.04951	1.2
85.02889	100.0
87.04449	4.3
91.03944	4.9
91.05457	1.3
95.04950	1.3
95.08587	1.1
97.02876	49.2
99.04417	5.4
103.03919	2.3
107.08637	1.0
109.02867	7.3
111.04374	1.0
115.03914	28.2
118.11801	1.0
123.04416	3.1
127.03899	33.9
132.06525	1.1
133.01631	1.0
133.04938	35.5
133.10098	1.3
135.04492	0.9
137.06010	1.2
139.03874	1.1
145.04935	63.7
147.04379	6.9
150.07611	2.2
159.31050	1.1
163.03914	1.6
163.05989	29.6
165.05428	1.5
167.07004	12.1
177.05473	2.8
179.10832	0.9
180.08694	0.9
181.05020	1.3
193.05017	1.5
199.05998	1.7
205.04965	2.8
206.05241	4.4
207.12106	1.1
217.07205	1.7
223.06056	5.7
223.09364	1.8
224.09540	2.5
225.07416	3.0
225.10927	1.2
237.13292	6.8
241.07065	7.1
259.08044	11.8
277.09085	2.7
295.10202	6.7
297.11859	1.1
365.05408	1.4
365.10645	1.0
386.15182	3.9
387.15991	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	386.1592
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.03465	0.9
55.01854	0.4
55.04242	0.5
68.99780	1.1
70.06581	100.0
70.42995	1.4
71.06919	1.1
79.05464	0.5
83.08472	0.4
90.91585	0.4
91.05498	0.8
92.93550	0.4
93.07019	0.5
95.51674	0.4
103.05448	0.7
103.72979	0.3
104.43092	0.3
107.04952	1.0
109.06500	0.4
110.63158	0.3
119.04952	1.9
121.06470	1.8
123.03512	0.8
123.04409	12.3
131.04944	0.7
135.04428	1.4
137.05904	0.4
147.04385	7.1
149.05948	4.7
159.04346	0.7
161.05991	0.7
165.05444	3.6
175.07544	0.8
177.05446	54.6
178.05817	1.7
189.05501	0.4
207.06523	1.1
212.63264	0.4
234.11250	3.3
329.10193	9.5
386.15921	54.5
387.16180	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	386.1591
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03923	0.4
54.03449	0.5
54.95951	0.3
55.01852	0.4
59.32722	0.3
67.05475	0.4
68.99762	0.5
69.03409	0.6
70.06580	100.0
70.67100	1.0
71.06258	0.2
71.06916	1.4
79.05500	0.4
81.03400	0.5
81.07043	0.8
85.02891	1.0
91.05463	1.2
93.07025	0.8
95.04960	0.4
97.02885	0.4
98.20866	0.4
102.98204	0.3
103.05431	0.4
104.69535	0.3
105.07030	0.6
107.04946	0.8
107.08614	0.3
109.06499	0.4
115.05424	0.5
117.06936	0.4
119.04914	2.7
119.08561	1.2
121.06502	1.4
121.10132	0.6
122.03609	0.4
123.04411	15.9
124.04794	0.3
131.04915	0.3
133.06419	0.5
133.10065	0.3
135.04381	1.1
137.05954	3.9
139.03902	2.3
145.06505	0.3
147.04390	10.2
147.11609	0.4
148.04689	0.6
149.05952	2.9
149.09561	0.5
159.04416	0.7
160.05142	0.3
161.06013	1.4
161.13206	0.3
163.03883	2.8
163.11159	0.7
165.05443	6.0
165.09062	0.4
167.07031	0.5
171.11765	0.3
173.05923	0.4
175.07545	0.5
176.15976	0.3
177.05444	37.6
178.05806	1.5
179.07043	0.3
181.04935	0.5
189.05489	0.6
189.09061	1.2
189.12744	0.8
191.06870	0.3
194.96112	0.3
200.07092	0.3
207.06529	1.7
207.13800	0.9
219.06465	0.5
225.14886	0.9
233.08189	0.3
234.08490	0.5
234.11203	0.7
235.09143	0.6
236.08865	0.6
261.11218	0.3
264.09531	0.6
265.09610	0.5
266.09918	0.8
290.10263	0.3
311.09219	0.4
320.10916	0.4
329.10132	12.5
330.10416	1.0
350.11954	0.7
357.13092	0.3
368.13110	0.9
386.15945	46.3
387.16278	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	386.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99891	0.7
56.96548	4.1
57.03428	1.3
60.24537	0.6
60.40949	0.7
61.02909	1.6
63.02361	0.7
69.03431	3.3
70.06573	1.8
71.21542	0.7
71.47977	1.6
73.02898	0.8
73.84745	0.6
79.05488	1.1
79.77672	0.8
81.03403	1.8
83.04951	1.0
84.08157	0.7
85.02891	14.4
87.04450	1.8
89.03906	6.2
90.04211	1.9
91.05470	10.8
95.04944	1.9
97.02870	4.3
98.97564	4.1
99.04464	1.0
103.05427	0.7
104.07106	1.9
107.04945	2.0
109.02875	1.7
110.06059	0.7
110.97552	0.9
111.04420	1.0
116.98615	4.1
117.03374	4.4
118.03711	1.7
118.21259	0.7
119.04925	16.6
120.08080	6.7
123.04420	8.5
127.03883	3.3
128.98595	1.3
131.00140	0.9
133.02890	0.8
134.99718	1.5
135.04408	10.9
136.04744	1.9
136.07559	100.0
137.07901	2.8
139.03920	1.0
143.00134	2.5
145.02789	5.6
145.04938	2.3
146.03198	2.3
146.99594	1.3
147.04396	29.7
148.04729	1.8
161.01187	3.2
163.03888	46.7
164.04227	12.0
165.05478	20.9
166.05850	0.7
166.08641	2.8
170.99661	1.4
178.08615	41.4
182.08109	32.2
187.02849	0.9
189.00679	1.5
203.02219	0.8
206.08110	9.2
213.00781	1.3
216.97528	0.7
219.01764	2.4
220.02110	0.7
224.09155	37.4
224.12735	1.4
225.09398	1.2
231.01880	0.7
237.00670	1.1
237.02809	6.2
238.03189	1.8
239.02171	0.7
249.02640	1.1
253.03789	0.8
255.01669	1.4
257.03265	0.9
260.04584	0.8
271.04742	0.8
273.02652	1.8
302.64841	0.8
325.05951	0.6
325.50726	0.8
337.02063	0.8
346.54282	0.9
368.99146	0.9
386.07788	0.9
386.22693	0.8
387.05676	0.8
404.08466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27313	0.9
53.03936	1.0
55.01861	1.3
55.05494	2.1
57.03421	2.0
57.07089	0.8
61.02912	1.3
67.05494	1.8
67.39224	0.9
69.03416	5.2
69.07056	6.8
70.06608	2.3
71.04983	11.7
71.76998	1.1
72.08183	1.0
75.80754	1.0
79.05490	5.2
81.03404	1.8
81.07048	40.7
83.04984	3.0
83.08630	1.5
84.13555	1.0
84.43889	0.9
85.02898	14.6
86.09700	0.9
87.04467	1.2
91.03921	1.0
93.07048	2.2
95.04961	2.8
95.08607	2.7
97.02874	4.4
97.06516	3.6
99.04413	1.1
99.08094	2.4
105.07048	1.1
107.08579	10.9
108.02677	1.0
109.06541	1.7
109.10132	10.9
110.07159	2.1
111.08038	1.7
111.11713	4.6
121.10108	2.5
123.04443	2.1
123.08119	2.0
123.11700	14.2
127.03907	3.1
133.10155	2.7
137.63718	1.0
139.03841	1.0
139.11166	8.1
145.04958	1.8
147.04385	2.5
151.11172	18.0
153.95711	1.0
157.12250	12.4
159.10164	1.6
163.03908	2.1
166.08627	2.0
167.07220	0.9
169.12238	24.5
169.13620	2.0
185.04169	1.3
187.13278	100.0
188.13612	2.7
205.04889	5.7
205.14342	16.7
209.04472	2.0
210.04765	1.3
210.07550	1.1
222.14906	14.4
223.06068	5.0
223.09406	16.7
238.05289	4.7
240.66710	0.9
330.58710	1.1
349.18558	2.2
384.10172	1.4
385.10062	1.0
385.14700	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	385.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36816	1.2
55.01866	2.8
55.05483	4.4
55.19485	1.2
57.03424	3.6
61.02913	3.4
62.77250	1.3
67.05482	3.5
68.99770	1.7
69.03417	3.6
70.06570	2.9
70.14410	7.4
72.37804	1.3
73.02882	1.5
74.06023	1.6
81.03392	3.1
83.04946	3.9
83.08593	5.6
84.08144	1.7
84.08936	1.8
84.60487	1.5
85.02880	6.1
85.06500	1.8
87.00826	3.3
91.03931	1.7
91.05453	5.4
95.04961	1.9
97.02864	3.2
100.02100	1.8
103.05469	6.9
105.03360	1.9
105.06995	4.2
111.04382	1.8
115.05420	4.3
117.03338	1.7
117.06986	1.4
118.04133	2.9
119.03380	6.3
119.04887	5.0
121.02840	1.8
123.04346	7.0
123.08046	1.8
125.02307	1.7
129.06961	3.4
130.04077	1.5
130.51759	1.4
130.77336	1.9
131.04901	21.2
133.06459	5.3
135.04352	1.3
136.06160	1.7
137.05927	1.7
139.03845	3.2
140.04648	1.7
141.06931	8.5
143.03372	5.0
143.04874	2.5
144.05588	2.1
145.06445	5.6
146.03577	3.6
147.04401	14.7
148.04794	1.7
149.06042	2.1
153.01756	8.5
155.04865	1.8
155.06924	3.0
157.02733	1.9
157.06445	5.7
159.04387	4.8
159.08060	2.1
160.05109	2.1
161.05978	12.2
163.03891	12.8
165.05467	1.7
167.07021	6.3
169.06464	12.4
171.04451	4.3
173.05954	4.2
175.03841	3.4
175.07497	2.9
176.04568	3.4
177.05411	4.4
180.07771	4.6
181.04973	2.3
183.04375	1.8
185.06017	4.4
186.06741	5.2
187.03885	13.8
187.05362	2.1
187.07347	6.9
188.04591	2.7
189.01733	2.0
189.05446	12.0
190.06136	2.8
191.03314	1.7
191.06996	26.0
193.04845	1.7
193.08585	4.0
197.05960	10.8
199.03906	2.2
200.04669	4.6
201.05472	3.4
201.09094	3.5
202.06152	2.2
203.03403	3.1
203.06943	3.5
204.04146	12.3
204.07779	2.5
205.04980	3.4
205.08556	5.7
205.12221	6.1
206.09315	2.3
207.06566	2.8
209.04425	1.9
209.07692	2.0
213.05420	3.3
214.06235	3.4
215.07011	14.3
216.04132	2.1
217.04883	8.3
217.08582	3.4
218.05620	5.2
219.06499	26.6
221.08037	2.5
222.11661	2.3
223.02333	2.3
223.05963	4.7
223.13542	7.0
225.05368	2.1
229.04875	3.4
229.08540	7.6
230.05594	1.7
231.06540	10.3
232.07166	2.6
233.08093	6.2
235.05884	2.9
236.54419	1.6
239.78172	1.6
242.05655	3.8
243.06543	8.8
245.04465	9.4
245.08107	7.0
247.06018	16.6
247.09666	9.9
249.07532	3.0
257.08035	17.6
260.06760	30.1
261.07336	3.2
262.04742	2.5
263.05478	5.1
265.07266	2.1
273.07465	5.6
275.09082	100.0
276.09479	5.5
277.07050	17.9
278.07449	1.9
287.05582	10.2
293.10089	1.8
301.06982	7.9
319.08044	16.3
337.09073	9.5
346.88464	1.5
350.06833	3.6
368.07944	5.6
385.09586	2.2
385.14514	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	384.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.61758	0.3
55.01864	0.5
55.05511	0.6
57.03420	1.9
61.02917	1.9
69.03419	5.1
69.07043	0.8
69.51868	3.8
70.06582	5.1
71.04965	0.9
73.02898	1.2
75.67905	0.3
78.03476	0.5
79.05485	5.9
80.04989	1.2
81.03407	2.3
81.07048	23.9
84.08154	0.4
85.02895	14.2
87.04461	0.8
91.03945	0.7
91.05471	0.5
95.04935	0.3
96.04499	1.0
96.06807	0.4
97.02879	4.1
99.08073	1.7
103.84773	0.4
105.06965	0.4
106.02904	3.7
109.02865	1.6
109.98346	0.3
118.74049	0.4
121.06506	0.4
123.04388	1.8
124.03938	100.0
125.04259	2.2
127.03893	2.4
139.03902	0.8
145.04990	1.9
146.09560	0.6
147.04347	0.8
159.08049	0.6
165.94307	0.4
170.05995	0.5
177.05434	1.1
198.79080	0.4
201.05521	0.5
221.07961	0.5
222.11227	97.6
223.09511	0.6
223.11546	4.1
233.08025	1.2
234.08418	0.6
245.08264	0.5
263.08810	0.4
264.09470	1.0
328.72940	0.4
367.11606	0.5
384.10757	0.5
384.16034	3.1
394.37347	0.4
405.21024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16941	0.9
54.03409	0.8
55.01865	8.9
55.05503	2.7
57.03421	1.8
57.07068	22.5
58.02946	1.9
58.06611	1.1
58.99573	11.5
59.04990	1.0
60.81673	0.8
61.02915	2.5
66.67032	0.9
67.05487	1.6
69.03426	5.5
69.07041	1.4
70.06582	8.7
71.04996	1.5
71.80729	1.1
71.81169	1.0
72.41756	0.8
73.02902	6.5
74.00672	2.1
74.06080	2.0
74.09695	1.7
74.99037	1.5
77.00607	1.5
78.13461	1.0
79.05482	1.8
80.84766	0.7
81.03407	4.9
81.07043	4.4
82.06536	1.4
82.60802	0.8
83.04962	1.0
83.07361	3.4
83.08601	1.5
84.08131	35.2
85.02891	19.7
85.06519	2.3
86.99040	13.3
87.04457	1.8
89.02370	1.8
90.05534	1.1
91.05474	1.4
93.07005	1.2
95.08582	1.4
96.08096	4.5
97.02885	4.9
99.04424	1.5
100.07602	15.7
101.04266	0.9
102.00129	2.0
102.09144	2.3
102.98522	3.8
103.82220	0.8
105.00081	5.0
105.07011	1.9
107.04932	0.9
109.02884	1.5
109.10103	1.3
110.07167	0.8
113.06016	1.5
113.76624	0.9
116.01642	1.1
118.08673	4.1
119.04968	1.1
120.08115	1.0
120.99548	12.5
121.06572	0.9
121.10098	1.3
123.04364	1.9
123.08063	3.6
126.09129	2.2
127.03902	2.9
128.07057	4.1
133.06488	0.9
134.06332	17.4
135.04405	1.2
141.06068	1.0
141.09116	1.9
143.10655	3.6
145.04996	2.9
147.04388	4.1
148.00623	9.0
151.07541	3.8
151.11176	1.2
158.06313	1.3
159.10159	0.9
161.05981	1.5
163.03867	1.8
167.07037	1.6
169.08585	2.1
169.12262	1.8
176.07382	24.5
177.05382	1.1
187.04213	0.9
187.09641	4.4
187.13290	3.4
189.05688	1.8
204.06865	1.7
205.04890	1.5
205.08800	1.2
205.10663	2.1
221.07936	0.9
222.07922	100.0
223.06001	2.1
223.08096	2.1
229.05006	2.3
233.08041	3.1
234.08519	6.3
235.09245	1.1
238.05342	3.2
248.10091	1.0
263.09161	2.8
264.09473	7.3
274.11548	1.4
288.09589	1.9
294.10678	1.3
302.11032	1.1
318.10477	2.6
348.11612	3.5
366.12601	3.4
367.11789	1.1
384.05331	0.9
384.09610	1.3
384.13913	16.9
385.14560	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	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.85400	1.7
53.03936	5.1
55.05501	14.6
57.03424	2.9
57.07071	10.3
59.04984	6.8
65.03937	2.9
67.05499	34.5
67.95225	1.7
69.03426	12.8
69.07049	12.0
71.04973	6.9
79.05482	28.5
81.03424	3.4
81.07045	34.1
83.04958	6.2
83.08606	4.0
84.17591	1.6
85.06529	5.8
91.05466	39.0
93.07035	82.9
95.04951	23.4
95.08595	34.9
97.06515	9.5
98.21441	4.0
103.05431	1.9
105.07019	75.8
106.07802	2.0
107.08582	41.7
107.79900	1.7
109.06510	18.2
109.10149	27.9
111.08028	10.0
113.05981	3.5
115.05457	2.3
116.06207	2.5
117.06988	10.7
119.08571	51.7
120.09368	2.1
121.06486	12.0
121.10128	43.2
123.08060	22.0
123.11641	1.7
126.39427	1.8
128.06189	7.1
129.06958	12.3
130.07776	2.9
131.08553	30.0
133.06459	7.2
133.10126	29.9
135.08046	23.8
135.11671	8.1
137.05946	2.6
137.09587	10.0
139.07503	2.2
141.06972	4.8
142.07765	18.3
143.08560	23.0
144.09297	5.2
145.06512	3.5
145.10107	35.6
146.07256	3.6
147.08046	23.5
147.11678	12.5
148.08766	3.0
149.09604	27.1
151.07523	31.6
153.09125	2.8
155.08543	5.7
156.09322	9.2
157.10109	35.4
158.10777	1.9
159.08044	7.8
159.11681	12.7
160.08780	2.5
161.09605	18.7
161.13234	5.1
163.11150	10.0
165.07030	2.4
165.09096	37.2
167.08482	2.1
168.09280	2.4
169.10107	6.3
170.10909	6.3
171.11707	7.7
173.09642	11.7
173.11847	2.2
173.13225	8.2
174.10327	2.0
175.11157	19.5
175.14761	8.0
177.09103	10.6
178.09944	2.8
179.08536	2.6
179.10791	1.8
181.10210	3.8
183.11633	8.1
185.09589	4.2
185.13234	13.5
187.11208	5.5
187.14789	3.3
189.09149	2.2
189.12750	8.9
191.10617	4.4
191.14265	3.6
193.10161	3.5
194.10884	2.5
195.11702	4.8
197.13298	6.5
199.11186	4.3
199.15002	2.2
201.09239	1.7
201.12697	9.5
203.14285	22.2
207.11778	3.9
207.13826	11.8
209.13231	4.4
209.15367	5.5
211.14815	3.7
213.12819	5.3
215.14293	8.0
219.13669	7.8
221.13464	2.8
221.15332	80.3
223.14845	2.5
225.12741	2.4
225.16402	2.6
227.14342	6.4
229.12338	2.7
231.13730	3.7
231.58353	1.9
233.15392	5.8
234.16063	18.1
239.14308	2.1
239.17819	2.4
241.16019	3.3
243.13811	3.2
247.05872	2.0
248.15891	1.7
249.16324	2.8
263.17999	2.3
265.15738	2.7
265.19400	1.9
277.21774	2.1
281.18991	3.3
286.19321	4.0
287.20148	7.5
291.17197	1.6
299.19803	3.8
303.19592	7.5
309.18658	2.3
310.04022	1.5
315.12216	4.4
315.19620	3.9
327.19742	2.8
347.23758	4.4
365.24777	12.3
383.25751	100.0
384.26181	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.05508	17.1
57.03413	2.9
57.07067	9.9
59.04985	9.4
65.03949	4.7
67.05499	49.5
69.03426	16.1
69.07055	14.9
69.75196	17.7
71.04988	11.5
79.05484	32.9
81.03378	2.4
81.07047	41.4
83.04963	7.6
83.08598	5.6
85.06521	7.1
91.05473	45.4
93.07037	91.9
94.07384	3.4
95.04964	35.7
95.08007	2.8
95.08593	40.5
97.06505	7.6
98.20725	4.8
105.07020	73.9
107.04947	2.5
107.08581	43.2
108.05700	2.7
109.06511	18.3
109.10149	36.2
111.08067	8.7
113.06016	3.5
115.05448	3.7
117.07008	10.3
119.04908	2.4
119.08572	53.7
120.09426	2.9
121.06486	11.9
121.10133	50.1
122.30025	2.1
123.08058	29.7
123.11728	2.4
128.06158	6.7
129.07013	15.2
130.07787	5.8
131.08556	33.9
133.06494	7.0
133.10115	28.6
135.08031	25.4
135.11673	9.3
137.05981	3.5
137.09616	12.1
141.06976	4.1
142.07748	16.2
143.08556	22.8
144.09352	6.5
145.06522	2.4
145.10124	36.5
147.08041	24.2
147.11671	14.9
148.08783	4.0
149.05898	2.3
149.09610	31.5
149.13258	4.5
151.07523	30.8
153.09164	2.3
155.08528	9.0
155.10626	3.2
156.09331	10.0
157.10110	38.3
158.10828	2.6
159.08022	7.3
159.11705	16.5
161.09636	19.1
161.13237	9.7
163.07495	2.3
163.11145	8.1
165.09105	37.2
167.08440	2.6
169.10115	7.3
170.10849	4.5
171.08057	4.4
171.11676	8.0
173.09598	11.4
173.11691	6.4
173.13000	10.7
175.11165	20.1
175.14813	8.6
177.09108	14.8
178.09828	4.0
179.08597	5.2
179.10367	2.2
181.10062	4.3
181.12233	2.0
182.10808	3.2
183.11623	7.6
185.09595	3.4
185.13232	18.9
187.11234	5.3
187.14839	3.4
188.12019	2.5
189.12746	10.7
191.14244	4.1
195.11671	5.4
197.13319	4.9
199.11139	3.0
199.14723	4.5
201.12785	9.7
203.14307	28.5
204.14696	2.5
207.11772	4.8
207.13765	11.0
209.13208	5.5
209.15349	8.2
211.11201	3.2
211.14803	3.2
213.12766	6.6
215.14355	5.2
216.14940	3.2
217.04915	2.8
217.15982	3.0
219.13811	9.6
221.13280	3.0
221.15318	78.6
222.15685	5.1
223.11237	2.8
225.12630	2.7
225.16226	2.3
227.14272	8.2
231.13846	4.5
233.15341	5.8
234.16129	15.8
237.14792	3.4
239.14287	2.7
239.18002	2.3
243.06499	2.6
243.13702	4.7
247.05934	3.3
251.14009	2.4
277.21643	4.7
286.19275	5.2
287.19983	8.8
299.20056	6.7
303.19583	8.6
309.18509	3.3
315.12228	7.7
315.19568	4.8
337.25305	2.4
347.23737	3.8
365.24759	15.9
383.18417	4.8
383.25748	100.0
384.26096	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41013	0.4
55.05490	1.4
67.05514	2.5
69.03413	0.7
69.07060	14.3
69.63628	0.7
69.64029	4.0
71.04984	3.3
79.05476	2.0
81.07034	2.0
83.01338	4.4
83.08588	0.6
83.93797	0.5
85.02876	0.6
90.87026	0.5
91.05456	1.6
93.07030	4.9
94.07413	0.7
95.04957	1.2
95.08614	3.5
98.20757	1.1
105.07024	6.9
106.07803	0.5
107.08568	2.8
109.10139	6.2
113.05979	1.3
117.07074	0.5
118.80176	0.5
119.08543	1.7
121.06537	1.2
121.10134	22.9
122.06799	0.6
123.08070	2.2
123.11742	1.2
124.12014	0.5
131.08524	1.4
133.10146	2.9
135.08099	1.0
135.11670	1.8
137.09590	0.7
139.07445	0.6
142.07782	0.6
143.08557	0.9
145.10091	1.6
147.11693	2.5
149.09593	1.4
151.07500	0.8
153.09128	0.7
154.10307	0.5
155.08508	0.7
157.10085	1.5
159.08087	0.9
159.11723	1.5
161.09616	0.6
163.07472	1.5
163.11189	0.8
169.10075	1.2
170.79204	0.6
171.11707	1.1
173.09584	8.8
173.10921	0.8
175.07478	0.8
175.11130	0.5
177.09097	2.3
180.09312	0.5
181.08606	0.7
181.12274	0.5
183.11687	1.3
185.09625	0.9
185.13239	0.6
187.07536	1.0
187.11168	1.7
188.08298	0.9
189.09050	2.2
189.12766	1.0
195.10133	4.8
197.09563	1.3
197.13226	1.0
199.11090	1.1
201.09064	2.1
203.10599	2.0
203.14357	0.7
203.26711	0.5
205.08565	2.7
206.08992	2.9
207.09186	1.8
209.09503	0.5
209.13322	0.9
211.11226	1.2
211.14761	0.8
212.11772	0.5
213.09097	1.4
213.12750	0.8
215.14279	0.9
220.10963	0.5
221.11659	0.9
221.13535	0.6
223.09512	2.7
223.14713	0.6
224.09950	3.1
225.10208	3.6
225.12491	1.0
226.09795	0.7
226.13501	0.9
227.10684	1.4
227.14319	2.9
229.12230	2.7
231.17439	0.7
237.12657	0.8
238.13264	0.6
239.10512	0.7
239.14178	1.6
240.11275	0.5
241.12161	0.8
241.15805	0.7
243.13733	2.1
244.14575	1.3
245.15417	4.0
253.12169	1.2
253.19530	0.6
255.13818	2.2
257.15308	1.8
259.13156	0.8
259.16916	1.8
267.13651	0.7
269.19009	0.9
273.14789	2.9
279.17401	2.4
281.19080	0.7
282.16156	0.7
283.20358	0.5
287.20065	1.6
297.18478	8.8
309.18384	2.0
313.21542	0.5
315.19516	100.0
316.19858	7.0
327.19540	3.3
347.21106	5.1
355.26126	0.6
365.24753	2.2
383.21408	0.8
383.25793	10.9
384.26120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71991	0.4
53.03931	0.7
55.01850	0.7
55.05244	0.5
55.05502	8.7
57.03436	2.5
57.07059	1.4
59.04993	4.5
60.97960	0.5
63.44565	0.4
65.03924	3.1
65.43894	0.4
67.05493	100.0
68.05821	2.1
68.86710	0.4
69.03419	0.8
69.07050	2.5
71.04984	3.1
71.79443	0.9
72.82679	0.4
79.05475	3.3
81.03385	1.1
81.07045	13.9
83.04964	0.5
83.08611	5.9
85.02886	0.5
85.06511	2.8
91.05457	6.6
93.07031	4.6
95.04963	1.2
95.08593	5.2
95.09138	0.6
105.07030	1.2
107.04893	0.6
107.08568	2.1
109.06511	0.8
109.10137	73.4
110.10480	1.8
111.08057	3.1
117.07037	1.0
119.08556	5.6
121.06481	0.5
121.10164	0.9
125.09576	0.8
129.05402	0.5
129.07025	1.0
131.08543	0.4
132.99510	0.5
135.08051	0.6
135.11748	0.6
137.09607	3.0
143.08566	0.6
145.06506	0.5
145.10152	0.8
147.11661	0.7
155.10640	4.2
159.11699	0.4
161.06023	0.5
163.11269	0.5
171.08179	0.5
173.11716	29.4
174.12186	0.9
175.07509	0.5
190.72742	0.5
221.08124	0.7
232.02898	0.5
257.13757	0.6
301.16681	0.6
365.21124	1.3
383.24350	45.9
384.24719	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44781	2.6
53.03930	9.0
55.01866	10.9
55.05505	28.3
57.03431	21.5
57.07074	3.8
59.46097	2.2
65.03925	2.8
67.05138	4.7
67.05498	87.0
69.03421	18.1
69.07059	62.0
70.06589	3.3
71.05000	7.8
71.81538	4.2
73.06554	4.1
79.05486	99.0
81.03400	19.9
81.07047	98.8
81.07540	4.6
83.04974	16.2
83.08630	17.0
85.02892	17.2
85.06528	8.2
87.00845	8.2
91.05471	69.1
93.07034	100.0
95.04959	19.3
95.08594	58.6
97.02882	8.3
97.06517	31.3
97.10158	5.9
99.04470	4.2
99.08093	4.5
105.07024	68.7
105.07733	4.8
107.04935	8.3
107.08580	59.4
107.09245	4.9
108.08887	2.9
109.06492	14.1
109.10131	20.4
111.04448	16.2
111.08070	7.1
115.03976	3.7
115.05406	2.7
117.07010	29.0
119.08566	52.3
121.02856	4.3
121.06469	6.1
121.10130	88.7
122.10537	3.1
123.04431	8.1
123.08041	9.4
123.11682	16.1
125.05991	5.7
125.09620	4.6
127.03941	6.3
127.07542	6.9
128.06168	4.4
129.05539	3.4
129.06937	13.4
130.07722	2.5
131.08543	43.0
133.06473	7.3
133.10103	44.0
134.10437	3.1
135.08041	12.1
135.11678	41.0
137.05945	6.7
137.09607	16.3
137.13187	3.6
139.03876	3.0
139.11203	2.7
141.06978	6.3
142.07788	3.9
143.07025	15.1
143.08571	15.0
145.06444	5.2
145.10091	34.3
147.08025	10.2
147.11688	39.4
148.12108	2.8
149.02342	7.0
149.05972	2.8
149.07483	5.6
149.09573	17.3
149.13182	12.3
151.07526	5.3
151.11201	5.1
153.01814	4.3
153.06960	3.2
155.08543	7.2
157.10091	16.9
159.08044	9.0
159.11664	16.7
161.08302	3.8
161.09610	25.0
161.13261	11.2
163.11191	13.5
163.14798	3.4
165.12755	7.1
169.10103	8.9
171.11658	21.9
173.09596	4.5
173.11856	3.9
173.13181	5.1
175.07535	4.2
175.11142	18.8
177.09125	3.5
177.12720	5.3
181.10065	3.8
183.11699	3.9
185.09581	3.4
185.13260	5.8
187.11185	8.8
189.12737	7.1
193.12260	7.5
195.11667	3.6
197.13240	4.1
199.11177	3.3
201.09027	3.1
203.17958	4.7
205.06429	3.1
211.13246	3.5
213.12772	3.6
215.14227	4.6
219.13829	3.0
221.08072	34.1
227.17937	14.8
233.08139	4.2
235.09477	3.6
237.16399	10.5
243.13846	6.2
245.18953	15.2
248.08167	3.1
255.17415	29.4
261.14832	8.3
263.09030	5.0
263.20007	36.6
265.26230	3.2
269.04480	3.0
273.18457	86.3
274.18921	5.1
283.05927	3.4
291.19473	18.5
307.09549	2.6
309.20779	2.8
319.22797	5.8
323.12686	4.9
347.14859	3.5
347.22211	7.9
355.11847	6.0
365.16263	4.1
365.23203	45.0
366.23685	3.9
383.11078	8.8
383.16299	14.1
383.24393	58.1
384.24179	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2059
Annotation	Xerophilusin V
Peak:m/z	Relative Intensity
55.01858	5.3
55.05495	4.8
57.03416	4.1
57.07056	2.7
65.03920	1.5
67.05505	9.9
68.99803	1.3
69.03411	6.0
69.07047	7.1
69.83178	1.3
70.06561	1.9
71.04980	16.1
71.81264	2.0
79.05475	10.3
81.03423	1.3
81.07040	15.7
83.01345	1.8
83.04948	2.9
83.08611	2.9
85.02874	4.6
85.06532	2.5
91.05460	8.3
93.07027	15.3
95.04940	4.9
95.08586	11.0
97.02875	4.3
97.06519	9.6
99.08096	1.7
100.11182	1.6
103.05482	1.4
105.03360	1.5
105.07012	22.9
107.04922	5.9
107.08584	14.6
109.06499	4.8
109.10149	10.0
111.08045	1.6
113.05980	8.1
117.06949	3.7
118.06554	2.1
119.04913	2.4
119.08556	12.7
121.02904	1.3
121.06473	2.7
121.10126	100.0
122.10949	3.7
123.04409	2.8
123.08057	6.5
123.11684	8.6
127.03896	2.2
127.07526	2.4
129.06914	3.0
131.08575	3.4
133.06516	3.3
133.10114	8.5
135.04453	4.0
135.07993	2.9
135.11656	10.2
137.02367	2.0
137.05923	4.3
139.03871	1.8
142.07741	1.7
143.08476	2.1
145.10110	4.3
146.06009	4.1
147.04364	1.7
147.08035	2.4
147.11662	5.1
149.02245	6.4
149.05959	1.7
149.13284	1.8
150.02682	2.9
151.07494	3.3
152.14299	5.4
153.01826	2.2
153.05400	1.9
155.03366	3.3
155.08505	2.2
156.13913	1.9
157.06454	2.3
157.10135	5.7
159.07994	1.9
159.11665	8.3
159.12755	1.6
161.05946	3.3
161.13205	2.1
163.07529	5.1
163.11168	1.9
163.14758	1.7
165.05490	3.1
167.08643	1.6
169.08676	2.2
169.10016	1.6
171.08008	2.1
171.11693	3.7
173.05898	3.1
173.09634	4.7
175.07487	1.4
175.11136	6.2
175.14815	2.8
177.09122	1.4
177.12737	2.4
179.07025	4.7
185.09581	5.5
185.13316	3.8
187.11153	5.5
188.07024	3.5
189.12784	2.0
191.06966	6.8
193.04968	3.5
194.05318	3.9
195.11668	3.3
196.17076	2.1
199.11243	1.9
201.05516	1.4
201.09248	1.7
203.10646	5.7
203.17963	4.6
207.06491	6.0
209.08023	14.1
211.11140	2.5
213.12753	3.4
215.10655	5.9
215.14218	1.5
217.12126	3.0
221.08051	4.8
223.11160	1.7
223.14793	1.5
225.07413	9.3
229.08499	1.5
231.06418	2.2
231.13834	1.9
233.11665	1.7
235.13449	1.4
239.10622	2.0
241.12210	20.1
243.10201	6.0
255.17468	2.0
257.04102	1.7
257.11728	7.5
259.05878	1.6
259.08578	2.3
259.13205	11.2
261.11411	2.0
265.15848	2.4
267.08878	1.7
273.18454	5.6
275.12509	2.1
283.16843	5.5
285.10062	1.9
285.18427	2.2
293.15308	3.5
301.17978	4.3
310.21655	1.7
311.16415	10.8
312.22986	1.4
323.12350	2.2
329.17429	53.9
330.17795	3.9
335.64008	1.8
339.20932	2.2
339.64685	1.8
347.18445	42.6
348.18750	2.3
355.11710	5.9
365.19589	42.6
365.29773	1.6
366.19595	2.4
383.11075	4.4
383.14917	3.7
383.20767	5.4
383.23407	8.2
383.30884	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00680	0.7
55.05505	2.1
59.04953	0.8
65.03958	0.9
65.41623	0.7
66.30832	0.7
67.05493	16.6
69.07058	1.2
69.67986	4.3
69.68411	2.6
79.05477	3.3
81.07037	3.8
83.08611	1.8
85.06531	0.9
91.05439	4.8
93.07051	2.3
94.04178	3.9
95.08602	1.7
103.05438	2.5
105.06996	9.9
107.04922	1.7
107.08638	1.2
109.06487	3.9
109.10128	11.2
115.05417	3.9
117.07014	1.2
119.08553	1.4
121.10152	1.2
122.03619	11.7
123.21798	1.0
128.06213	3.2
131.04922	1.4
133.06467	7.9
137.05951	100.0
138.06267	1.5
141.07010	1.9
146.03581	2.7
149.05962	1.6
155.10696	1.3
156.05681	1.6
161.05951	45.4
167.06970	0.8
168.05571	1.2
169.06543	0.9
171.08029	3.3
173.11769	4.4
175.07530	1.6
178.98470	0.8
184.05247	3.0
187.07654	1.5
189.07004	1.2
191.08543	2.7
192.09256	2.0
199.07506	26.0
199.09285	1.6
201.11717	0.8
202.07750	12.2
203.08516	14.8
204.09270	2.6
205.06476	1.7
206.07196	1.3
215.08548	1.6
218.07344	1.1
219.08025	6.5
220.08847	7.1
221.09576	1.4
230.07320	2.4
231.08011	28.4
232.08737	5.9
233.09610	1.2
235.11256	1.9
237.09192	0.9
245.09624	0.9
247.07506	5.2
248.08301	16.6
249.08934	2.6
258.06720	1.9
259.07520	21.8
260.08282	10.7
261.09082	2.0
262.09885	2.3
263.10632	13.8
264.11127	1.1
265.08646	1.0
274.09952	0.8
275.06937	2.8
276.07797	10.3
277.08453	5.6
291.10101	76.0
292.10788	8.5
293.08047	3.2
295.13251	3.5
308.10388	2.5
313.18173	0.9
323.12698	23.5
347.37427	0.9
351.12286	2.3
383.14926	0.9
383.24527	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	383.1334
Annotation	Uncinoside A
Peak:m/z	Relative Intensity
50.92517	0.1
50.96490	0.1
55.05484	0.1
56.77059	0.1
56.93393	0.1
67.05509	0.1
69.03420	0.1
71.37219	0.2
71.78870	0.1
81.07027	0.2
85.02882	0.2
89.74681	0.1
105.06990	0.1
111.66241	0.1
121.10054	0.1
123.04414	0.1
151.03891	0.1
153.01842	0.2
165.01888	0.1
179.03365	0.3
183.51762	0.1
189.92511	0.1
205.04950	2.7
206.05719	9.5
207.06091	0.3
221.08063	100.0
222.08383	4.0
233.08104	0.2
234.08798	0.1
245.08102	0.1
263.09180	0.3
287.08981	0.1
317.10236	0.1
329.10205	0.1
365.12582	0.2
383.13354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84439	1.4
53.55744	1.4
55.01866	2.4
55.05504	8.3
55.87575	1.5
57.03422	3.5
59.04993	4.2
61.02919	1.9
65.03915	2.6
67.05499	71.8
67.05859	3.7
69.03409	2.3
69.07057	5.5
70.37067	7.4
70.37337	1.7
71.04991	3.6
79.05479	8.2
81.03411	3.7
81.07050	18.4
83.08604	8.6
85.02888	3.5
85.06541	2.5
91.05477	11.2
93.07030	7.4
94.04174	1.5
95.04953	3.5
95.08599	10.0
97.02895	1.9
97.06512	7.4
97.10158	1.6
105.07007	13.4
107.04956	3.5
107.08565	6.0
109.06503	5.7
109.10143	55.7
111.08108	1.9
115.05452	4.3
117.07005	2.7
119.08549	6.5
121.10117	4.2
122.03620	8.5
123.08005	2.6
128.06195	4.8
129.06963	2.9
131.08528	2.3
133.06465	5.7
133.10133	2.2
135.11613	2.2
137.05960	96.8
137.09564	2.5
138.06310	2.0
141.06958	2.1
145.06544	2.1
145.10083	1.8
146.03629	3.1
149.05971	2.3
155.10593	2.2
156.05673	2.3
157.10107	2.6
161.05968	35.7
168.55252	1.5
171.08002	3.2
173.11710	16.6
175.07591	3.0
180.09190	1.9
184.05185	3.2
187.07535	2.1
191.08594	3.3
192.09303	2.6
194.36887	1.9
199.07524	25.3
202.07765	14.5
203.08531	29.3
204.09300	3.1
205.06512	3.3
217.36804	1.6
219.08087	9.0
220.08794	14.2
230.07248	2.8
231.08037	37.0
231.10190	3.2
232.08789	12.2
233.05945	3.9
235.11073	1.8
237.09174	3.9
241.12206	1.8
245.09596	2.6
247.07462	7.4
248.08286	32.2
249.09090	5.6
250.06223	2.5
258.06775	2.0
259.07614	22.7
259.13290	1.9
260.08255	18.8
261.08997	4.6
262.09967	2.7
263.10675	26.1
263.13385	1.3
264.11151	1.9
265.08563	4.9
269.08099	1.8
275.06961	2.3
276.07813	20.4
277.08563	9.8
278.05869	2.1
280.11041	1.9
291.10120	100.0
292.10571	11.3
293.07993	13.5
295.13086	2.1
308.10416	7.1
323.12747	96.3
324.13104	6.2
329.17438	3.4
347.18549	4.0
355.11310	1.8
365.19733	4.0
383.14993	3.8
383.24377	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05489	0.3
56.41602	0.4
57.03421	0.5
59.33558	0.3
61.02929	0.7
68.99798	0.5
69.03383	0.5
69.07050	0.6
71.82047	0.6
81.03393	0.6
85.02888	2.3
93.07059	0.4
97.02862	0.6
97.10059	0.4
103.03915	0.8
107.27663	0.4
109.02866	1.1
109.69788	0.4
113.05983	1.0
120.01280	0.3
121.02869	0.4
122.92976	0.4
133.02798	0.4
137.02272	0.6
139.03868	1.1
153.01823	0.7
158.12555	0.4
165.01772	0.8
167.03352	0.5
174.06754	0.8
175.03853	0.5
179.07010	1.0
189.09120	1.2
191.03163	0.5
197.08092	0.6
201.05441	0.5
202.06345	0.8
203.03372	0.5
203.10637	0.5
203.12599	0.7
204.13023	0.7
205.04884	1.1
205.08554	0.5
206.05699	2.8
215.06906	0.7
216.07770	0.8
217.05023	1.2
217.08574	11.0
218.05705	6.5
219.06306	0.9
220.07297	2.1
221.08064	29.7
222.08434	0.9
223.05974	0.8
229.04884	1.3
229.08624	0.8
230.05615	2.7
230.09245	0.5
231.02849	0.6
231.10124	5.2
233.08058	100.0
234.08679	8.8
235.09326	0.6
240.07716	0.5
241.08496	0.5
243.06552	1.9
243.10097	0.8
244.07275	4.7
245.08060	9.2
245.11670	1.4
247.05968	1.0
247.09618	2.6
248.06766	1.3
255.10074	3.1
257.07986	3.7
258.08878	2.9
259.06085	1.7
259.09634	17.7
261.07559	1.2
263.09113	73.7
264.09421	2.7
267.06519	0.5
268.07312	0.5
271.06937	0.4
271.09485	1.7
273.08475	0.4
273.11163	11.2
274.11560	0.5
275.09070	0.5
283.09595	3.2
284.06882	0.5
285.07452	0.8
287.09097	36.8
288.09424	1.6
295.05826	0.5
296.06720	0.6
299.09119	11.6
300.09561	0.5
301.10706	2.2
311.06235	0.4
311.09097	10.1
311.12753	0.5
313.07156	0.7
317.10159	23.7
318.10559	0.8
329.10156	17.6
330.10556	0.8
339.08459	0.5
341.06595	1.7
347.11224	17.1
348.11575	0.9
365.12299	12.6
365.16132	0.3
383.13333	8.9
383.23343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98409	0.1
54.98644	0.3
55.92402	0.1
56.96553	7.9
57.97330	0.1
62.01528	0.1
69.90974	0.1
70.32603	0.2
70.32995	0.2
71.95247	1.4
82.73886	0.1
83.98793	0.1
87.50672	0.1
98.97560	49.6
99.97906	0.3
112.97581	0.1
116.98597	62.7
117.98943	0.4
131.00119	0.2
134.99629	59.3
135.99966	0.5
137.00043	0.2
140.00175	1.8
153.00677	12.5
158.01224	3.2
171.01764	0.2
174.97652	0.4
176.02242	0.7
177.00873	0.2
181.97411	0.5
192.98688	0.7
193.98781	0.3
198.97641	0.2
199.04576	0.2
216.98637	1.5
217.98889	0.5
218.98596	0.2
219.02026	0.5
225.96312	0.2
232.96429	0.2
233.96684	0.2
234.99753	3.2
235.99850	1.1
236.99406	0.2
240.98576	6.0
241.98909	0.3
250.97685	0.3
251.97902	0.2
253.00928	0.2
256.96613	0.2
257.96765	0.3
258.01508	0.2
258.99710	56.9
259.99893	3.2
261.00201	0.3
261.03033	0.8
262.03040	0.2
263.02713	0.2
272.86227	0.1
273.01303	0.2
274.97522	1.2
275.97842	1.2
276.02423	0.3
277.00760	100.0
278.00937	6.2
279.01254	0.6
282.01300	3.6
282.04413	0.2
282.97095	0.2
282.99707	1.0
284.00061	0.2
284.99582	0.2
291.02365	0.3
292.98651	0.9
293.99005	0.3
295.01816	1.1
298.97693	0.5
299.97882	1.2
300.02344	6.7
300.97464	0.3
301.01086	1.8
301.28415	0.1
302.01038	0.3
303.00601	0.2
305.03668	0.2
316.98795	1.4
317.98886	2.6
318.02545	0.1
318.98636	1.0
319.01968	0.2
322.98157	0.1
323.03699	0.2
341.23438	0.2
341.98825	1.1
342.98306	0.2
358.99640	0.8
359.99893	3.0
360.99545	0.7
378.00952	0.3
382.99762	2.0
384.00305	0.2
401.00928	8.2
402.01096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.133
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
55.01857	0.8
57.68234	0.6
65.17919	0.7
70.64278	0.7
70.92275	1.2
70.92670	1.5
79.01832	1.8
82.36218	0.8
132.18060	0.8
137.96155	0.8
193.08604	1.9
202.98026	0.8
205.08578	1.1
206.09357	2.9
209.08087	2.0
217.04916	4.1
217.08443	0.8
218.05702	1.1
219.03046	1.3
219.06491	1.9
220.07202	1.2
221.08038	2.3
230.05833	0.9
231.06564	1.0
232.07323	1.4
233.08063	55.2
234.08813	19.9
235.09377	2.0
243.02719	1.3
245.08064	7.5
247.09654	10.8
248.06795	2.8
257.08057	1.4
258.08868	3.1
259.05963	1.4
259.09583	2.3
261.07581	3.4
263.09122	67.8
264.09464	2.3
273.07925	1.7
273.11188	13.3
275.09167	4.7
277.10840	1.4
287.09094	17.0
288.09262	1.0
293.10193	3.5
299.09058	1.0
301.10599	6.3
305.10080	1.2
317.10172	17.6
321.39218	1.1
329.10147	9.7
339.64221	1.0
347.11224	26.7
351.19580	0.8
365.12289	41.9
366.12726	2.2
370.12585	0.8
383.13315	100.0
384.13617	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	382.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28522	0.5
55.05501	1.8
57.03439	0.6
57.07069	0.5
59.04987	1.0
61.02909	0.8
62.06075	1.3
67.05480	1.3
69.03420	2.8
69.07069	3.8
70.06565	0.9
70.15629	2.6
71.04604	1.0
71.04979	13.8
75.24976	0.5
79.05473	3.2
81.03417	1.2
81.07044	9.6
83.04966	1.6
85.02888	4.8
86.09656	0.8
87.04449	1.0
91.05470	1.2
93.07028	4.5
95.04977	1.0
95.08584	4.6
97.02861	2.2
97.06515	3.2
97.10182	0.5
98.21437	0.8
99.04437	0.8
101.05979	0.9
105.06983	1.1
107.08591	4.3
109.10119	0.7
110.07183	0.8
111.04453	0.9
115.07555	3.7
121.10127	31.2
122.10470	0.8
123.04391	0.6
123.08057	1.1
123.11688	8.7
125.05960	5.3
125.09626	2.7
127.03880	1.3
129.05428	0.8
133.07597	0.6
139.03860	0.9
139.11160	16.3
143.10674	0.8
149.09595	3.3
157.08580	0.8
157.12132	0.7
159.10150	0.5
163.08632	1.0
167.10651	17.6
171.13815	0.8
185.11707	100.0
186.11964	2.5
203.12750	5.2
207.07635	4.3
223.10852	0.7
232.07089	0.5
279.13388	0.7
287.05478	0.6
314.10345	0.6
323.12256	1.9
337.02417	0.6
366.12921	8.5
383.11911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
55.05498	7.0
57.03415	3.5
59.04988	2.2
67.05483	3.4
67.25154	1.3
67.35900	1.4
69.03416	5.3
69.07060	18.1
70.06563	1.6
70.61173	6.3
71.04981	6.1
78.07455	1.4
79.05486	6.8
81.03413	1.3
81.07042	12.2
82.36112	1.3
83.04974	3.9
85.02912	6.9
87.22853	1.4
91.03351	1.2
91.05460	4.4
93.06445	1.9
93.07029	28.5
95.04950	1.9
95.08593	19.9
97.02892	3.2
97.06507	5.2
97.10126	1.6
99.08091	1.8
101.06020	7.0
103.16360	1.4
105.07018	4.1
107.04955	1.3
107.08588	23.4
109.06490	6.2
109.10121	3.3
110.07176	2.0
111.04408	4.8
111.08083	2.3
111.11687	2.5
112.72356	1.4
113.06039	1.9
117.79804	1.4
121.10133	59.3
123.08030	6.0
123.11698	4.3
125.06010	2.1
125.09612	7.4
127.03923	2.6
127.07558	4.4
129.05432	4.0
131.08511	3.3
138.32843	1.3
139.11176	19.6
145.04961	3.9
147.04472	1.5
147.06490	1.4
147.80972	1.4
149.09602	15.3
159.10124	4.7
164.07057	1.9
166.08604	3.7
167.10664	100.0
168.11000	2.4
171.09099	1.7
173.11676	2.7
185.11725	62.9
203.12834	6.9
210.07526	1.8
221.07993	1.7
262.09903	1.2
274.86252	1.4
281.23376	1.3
293.92831	1.3
366.12100	2.3
383.13486	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1702
Annotation	cis-Zeatin-O-glucoside
Peak:m/z	Relative Intensity
55.01868	0.6
57.07054	2.5
59.04979	2.0
59.73714	0.7
67.05505	1.4
69.03401	1.2
69.07059	2.2
70.02935	2.3
70.86319	1.9
72.04504	7.4
73.02900	1.9
74.02444	1.0
83.04949	0.8
85.02891	3.9
85.06529	3.8
87.08109	0.9
89.03867	0.7
90.05543	52.9
95.04941	2.7
97.02872	1.3
98.02404	6.8
100.03981	1.1
103.07568	3.8
105.35065	0.6
113.05997	1.6
116.03448	7.5
124.07576	8.6
127.03860	0.8
135.04381	1.0
142.08620	4.8
160.09735	0.6
163.03888	3.4
166.08588	1.1
174.11246	1.4
184.09674	11.1
191.46127	0.7
202.08937	1.3
202.10707	18.0
203.09215	0.7
220.11780	100.0
221.12125	1.8
247.53831	0.6
249.38264	0.6
252.97826	0.8
274.70490	0.7
311.18213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11545	0.1
55.01870	0.3
55.05490	0.2
57.03422	0.1
57.07050	0.1
65.03918	0.1
67.05479	0.5
69.03422	0.6
69.07050	0.3
69.68448	0.9
71.04969	0.2
79.05464	0.5
79.68987	0.1
79.91571	0.1
81.03404	0.1
81.07047	1.5
83.01322	3.1
91.05459	1.2
93.07024	2.4
95.04947	0.2
95.08591	0.4
98.20731	0.2
99.49063	0.1
104.17235	0.1
104.33081	0.1
105.07011	0.6
107.08582	2.7
109.02876	0.1
109.06490	0.3
109.10124	0.6
111.04413	0.1
113.06003	0.2
115.05393	0.1
117.06985	0.5
119.08559	1.1
121.06487	7.3
121.10124	0.9
122.06812	0.2
123.04421	0.1
123.08033	0.5
123.11688	5.6
124.12015	0.1
125.05956	0.1
129.06976	0.2
131.08543	2.0
133.06439	0.3
133.10104	0.2
134.07283	0.2
135.08032	4.5
135.11671	3.6
137.05956	0.1
137.09590	0.4
144.05696	0.2
145.06456	0.3
147.04362	0.2
149.05945	0.9
149.09593	3.8
151.07515	0.2
153.05443	3.7
159.08031	4.7
159.09369	0.2
159.11627	0.2
160.08348	0.2
161.05966	0.3
161.09637	0.1
162.06735	4.5
163.07521	8.3
164.07874	0.3
165.05315	0.1
165.09073	0.2
167.06998	0.1
169.18608	0.1
173.09717	0.1
177.09085	13.4
178.09415	0.5
181.08418	0.1
181.39140	0.1
185.65039	0.1
187.07520	3.9
190.06259	0.4
191.06967	0.2
191.10678	0.2
193.08585	0.6
201.08978	0.1
205.08568	61.6
206.08910	2.0
211.09660	1.2
219.10092	0.1
223.09613	100.0
224.07768	0.2
224.09956	3.3
237.11211	0.2
243.10118	0.4
257.15170	0.1
261.11145	0.3
271.13181	0.1
275.16354	0.4
289.14609	0.1
305.17511	0.2
327.19559	0.8
345.20538	22.1
346.20874	1.6
363.21573	5.3
364.21722	0.5
381.22638	0.2
388.72458	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	381.2269
Annotation	Isoscoparin G
Peak:m/z	Relative Intensity
53.03929	0.5
55.05501	1.2
57.03414	0.4
57.07064	0.2
59.04984	0.3
65.03929	0.3
67.05503	1.6
69.03425	1.2
69.07072	1.2
69.58346	1.1
69.58785	0.9
71.04969	0.4
79.05478	2.4
81.07047	2.8
83.01318	2.6
83.04968	0.4
83.08603	0.3
85.06506	0.5
86.45028	0.2
91.05466	2.4
93.07031	11.0
94.07355	0.3
95.04926	0.7
95.08593	1.6
96.37443	0.2
97.06506	0.2
105.07015	1.4
107.04980	0.2
107.08577	6.9
109.06486	0.9
109.10147	3.0
113.05984	1.9
117.06994	0.6
119.04874	0.3
119.08591	1.3
121.06480	3.7
121.10107	0.7
122.45073	0.2
123.04380	0.4
123.08024	0.7
123.11682	1.4
125.05941	0.4
125.09615	0.2
129.06998	0.4
131.08542	1.5
133.06477	0.4
133.10106	0.5
133.94444	0.2
135.08047	3.9
135.11670	8.2
137.05954	0.9
139.07506	0.3
141.05414	0.4
145.06409	0.5
145.10066	1.1
147.07997	0.3
147.11555	0.2
149.05957	0.8
149.09605	2.5
151.07530	0.6
153.05434	1.4
159.08032	2.8
159.11646	0.3
161.05934	0.3
161.09512	0.3
162.06735	2.3
163.07523	4.8
163.11186	1.0
165.05547	0.3
165.09102	1.3
167.07016	1.0
169.08588	0.3
171.08005	0.2
173.09604	1.6
175.07535	0.6
175.11185	0.5
176.08302	2.4
177.05460	0.6
177.09088	8.6
177.12643	1.1
178.06036	0.2
179.06978	0.2
181.08589	0.5
183.08041	0.2
187.07495	2.6
187.11154	0.8
189.09065	0.5
190.06157	0.4
191.05295	0.4
191.07024	6.6
191.10645	4.4
192.07819	2.8
192.10863	0.3
193.08594	4.0
193.10313	0.2
195.06525	0.2
195.10149	0.6
200.08302	0.6
201.09106	1.8
201.12758	0.4
203.06992	0.4
203.10660	0.4
204.07780	1.1
205.08580	33.2
205.53270	0.2
206.08888	0.9
207.10059	0.3
211.09610	3.8
211.11414	0.4
213.08980	0.2
215.10669	2.3
216.07913	0.3
217.08612	0.4
217.12198	0.4
218.09381	0.3
219.06564	0.6
219.10135	17.8
220.10443	0.7
223.09625	30.5
224.09950	0.9
225.09023	0.2
225.12770	0.2
227.10684	0.3
228.07750	0.4
229.08528	1.1
229.12175	0.6
230.09270	0.5
231.10014	0.6
233.11742	2.0
237.11180	17.8
238.11514	0.4
241.12097	0.2
241.57924	0.2
243.10136	8.9
243.13840	0.7
244.10698	0.5
245.11684	0.8
247.09651	0.5
247.13112	0.3
249.11111	0.3
253.12230	0.4
257.11636	0.8
257.15250	0.2
259.13208	0.4
261.11191	16.4
262.11496	0.4
263.12576	0.3
265.14218	0.4
271.13278	6.0
272.13620	0.2
275.13089	0.4
275.16348	1.9
277.14203	0.2
284.14163	0.3
285.14810	0.4
289.14304	12.4
290.14496	0.3
299.16440	0.2
299.19983	0.3
303.15750	0.3
304.13660	0.2
309.18619	0.3
321.18326	0.3
327.19525	8.6
328.19824	0.7
339.19083	0.3
339.60730	0.2
345.20554	100.0
346.20889	5.1
363.21606	3.6
364.22003	0.3
381.24268	1.5
398.63724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2267
Annotation	Isoscoparin G
Peak:m/z	Relative Intensity
55.01881	0.8
55.05483	1.4
57.07064	1.1
61.73936	0.8
67.05480	2.2
69.03411	1.8
69.07044	2.0
70.75164	3.2
71.04980	1.0
79.05466	2.2
79.23043	0.8
81.07042	3.8
83.01324	3.2
83.08620	0.9
85.06551	0.8
91.05461	2.9
93.07034	13.7
95.04959	1.4
95.08571	3.1
105.06968	1.2
107.08585	7.1
109.06487	1.5
109.10143	3.5
113.05963	3.1
117.06985	0.8
119.08541	1.3
121.06528	3.9
121.10159	1.5
123.08112	1.1
123.11745	1.0
127.02696	0.7
131.08521	1.0
135.08023	3.3
135.11667	9.0
137.05879	0.9
145.10126	1.5
149.09593	3.5
153.05432	1.0
157.10191	0.8
159.08011	3.2
162.06723	2.7
163.07498	4.1
163.11197	1.0
165.09044	1.2
173.09645	3.8
175.07483	0.9
176.08334	2.5
177.09105	9.4
177.12753	0.8
187.07516	1.8
191.06989	5.7
191.10661	5.5
192.07745	3.8
193.04901	1.5
193.08539	4.3
197.09573	1.0
201.09094	1.9
204.07782	1.4
205.08577	33.7
206.08916	0.9
211.09651	3.4
215.10664	2.1
219.10133	19.8
223.09625	25.5
229.08519	1.5
233.11679	2.9
237.11177	21.6
240.62640	0.9
243.10149	7.8
243.13799	1.5
261.11209	18.4
264.70648	0.8
271.13257	7.1
275.12701	1.1
279.95432	0.9
289.14304	12.9
314.91205	0.8
327.19574	9.1
328.19418	1.1
345.20566	100.0
346.20831	3.9
363.21616	2.4
380.57556	1.2
381.24033	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	381.2266
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
55.05486	1.2
59.04989	1.1
67.05472	1.1
69.03404	0.7
69.07047	2.6
70.64128	2.7
79.05470	1.6
81.07036	1.8
83.01318	4.0
91.05466	2.4
93.07032	7.3
95.04913	0.9
95.08576	1.2
105.07009	1.8
107.08565	7.7
108.31908	0.5
109.06503	1.0
109.10130	2.6
113.05936	0.7
119.08556	1.5
121.06477	2.9
121.10123	1.6
123.11680	6.4
131.08517	2.1
133.10016	0.7
135.08025	4.0
135.11667	9.6
145.10101	0.9
149.05940	0.8
149.09589	3.7
153.05457	1.3
159.08037	4.7
162.06767	4.8
163.07533	9.6
165.09026	0.7
171.11662	0.7
171.78146	0.7
173.09543	0.7
177.09096	12.4
187.07478	4.2
205.08572	67.7
206.08902	2.0
211.09686	3.2
219.10147	0.7
223.09622	100.0
224.09981	3.2
229.08687	0.8
243.10185	1.0
327.19476	2.2
327.51044	0.6
343.90433	0.7
345.20547	37.1
346.20856	2.2
363.22168	1.0
381.23962	1.1
394.91409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.1
57.07066	4.7
67.05495	8.4
69.03405	2.2
69.07051	5.3
70.22016	2.3
70.22423	6.4
71.05000	1.8
79.01127	1.2
79.05473	5.7
81.07022	6.9
83.01334	3.2
83.04970	2.6
83.08591	3.0
85.06552	1.8
91.05478	6.1
93.07027	14.8
95.04945	1.9
95.08590	4.9
97.02867	1.4
97.06547	2.5
105.07020	5.8
107.08591	7.8
109.06557	2.1
109.10155	5.0
113.05991	4.0
117.06974	1.9
119.08547	4.8
121.06485	2.7
121.10136	4.4
123.08032	3.5
123.11739	1.9
131.08597	2.4
133.10130	3.9
135.08020	4.3
135.11679	8.1
145.10095	4.8
147.11642	1.8
149.09601	1.8
159.08092	2.9
161.13174	1.3
162.06764	1.7
163.07542	4.1
163.11169	2.0
171.08131	1.6
171.11749	1.8
173.09596	8.5
176.08397	1.7
177.09137	8.0
187.07622	2.0
191.07014	5.9
191.10680	4.2
192.07762	1.7
193.08557	2.2
201.09029	1.4
205.08568	29.5
205.12338	1.9
206.64536	1.4
211.09659	2.6
215.10597	1.5
219.10149	17.5
223.09637	22.5
229.08539	1.5
233.11691	1.8
237.11192	16.1
243.10150	7.9
243.13818	1.8
261.11200	18.0
267.13483	1.4
271.13187	6.3
285.14825	4.3
289.14178	11.5
327.19577	6.2
345.20551	100.0
346.20807	3.0
363.21707	3.9
381.20038	1.9
381.23904	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	381.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05495	0.7
57.07074	2.3
63.20091	0.4
65.03927	0.5
67.05476	1.8
68.99781	0.8
69.03417	0.5
69.07057	7.6
70.36720	2.2
71.04980	0.5
79.05471	1.2
81.03432	0.5
81.07043	1.8
83.01318	5.4
83.08517	0.4
84.40889	0.5
85.06534	0.6
91.05455	0.9
93.03405	0.6
93.07026	1.9
95.04941	1.8
95.08601	1.0
99.00793	0.7
105.03363	2.2
105.07012	1.1
107.08563	1.9
109.02865	0.6
109.10133	3.9
111.11671	0.9
117.07005	0.4
119.08553	1.1
121.06517	0.5
121.10159	1.0
123.04436	1.4
123.11687	0.7
127.11139	1.9
129.03275	0.4
129.98203	0.4
131.08524	0.5
135.11673	2.7
137.02330	3.7
139.11224	0.5
141.01820	5.1
147.11671	0.7
151.03877	6.7
153.05365	0.5
155.03337	2.8
161.02290	0.5
161.85306	0.4
163.07570	0.6
169.04987	0.7
173.09541	0.5
177.09062	1.1
179.03369	75.4
180.03682	2.4
193.04865	1.0
197.04430	51.4
197.08051	2.9
198.04750	2.1
205.08557	5.8
223.07539	0.9
223.09613	8.1
228.67348	0.5
237.07545	0.4
242.26387	0.5
257.08057	100.0
258.08408	5.6
271.09610	1.1
295.11664	0.8
301.18033	0.7
319.19067	0.9
345.20499	3.3
363.17825	0.5
363.21875	0.6
371.51593	0.5
381.19073	5.0
382.19888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06137	0.5
69.03416	0.6
70.70558	1.6
83.01324	3.5
91.05469	1.0
93.07024	1.4
95.89744	0.4
105.07044	0.6
107.08602	2.3
109.10116	0.7
121.06490	1.4
121.10107	0.8
123.11654	2.4
131.08528	1.9
135.08052	4.0
135.11711	2.4
137.10420	0.5
145.60469	0.4
149.06024	0.5
149.09589	3.8
153.05434	0.5
159.08035	3.8
162.06755	3.9
163.07536	6.1
177.09082	11.7
187.07506	3.9
205.08577	58.1
206.08876	1.1
211.09630	1.0
223.09625	100.0
224.09988	3.4
228.68205	0.5
345.20578	14.1
346.20676	0.5
363.21619	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	381.1903
Annotation	2,3-Didehydrocinnzeylanone
Peak:m/z	Relative Intensity
55.05497	9.2
57.03433	1.2
57.06809	2.3
57.07068	36.1
59.04977	2.0
59.82448	1.1
67.05498	14.3
68.99757	1.1
69.03407	3.0
69.07059	100.0
71.04985	3.8
71.81390	1.2
79.05474	9.9
81.07046	15.9
83.01362	1.6
83.04960	4.9
83.08605	1.5
85.06531	7.0
91.05474	8.5
93.07034	19.6
95.04948	3.2
95.08595	7.9
97.06510	3.0
105.03387	2.6
105.07033	10.3
107.04935	2.6
107.08585	18.7
109.06508	5.4
109.10143	61.5
110.10461	1.6
111.11709	11.3
117.07009	1.9
119.04924	2.4
119.08577	8.0
121.06483	3.6
121.10172	8.5
123.08064	1.9
123.11665	4.0
125.05994	1.8
127.11177	27.1
131.08527	1.7
133.06441	2.6
133.10129	3.3
135.08015	1.9
135.11679	40.1
136.12025	2.5
137.05939	1.7
139.03818	1.4
139.11183	5.5
141.01820	2.8
143.08516	3.0
145.10136	3.5
147.08002	2.2
147.11694	5.6
151.07516	1.7
153.01814	3.6
153.05417	2.9
155.03436	3.7
155.07007	1.6
157.10114	1.8
159.08105	2.2
159.11688	1.4
163.07521	2.5
171.06575	1.8
173.09593	2.1
175.11177	7.5
177.09073	4.8
179.07030	4.9
181.08597	1.4
185.13185	1.3
191.07060	1.4
191.10432	1.6
193.04924	6.4
197.08064	29.4
201.09021	3.1
203.10770	1.6
205.08578	21.8
211.05922	1.8
211.09496	1.5
215.10619	1.8
217.12344	1.4
219.06334	1.4
219.10197	2.4
223.09612	29.7
233.11757	2.5
237.07571	2.6
237.11185	2.0
245.11560	1.5
259.08673	2.3
277.10614	3.3
283.16980	4.3
295.11789	8.4
301.17929	9.1
319.18970	12.9
337.20108	1.4
345.16876	3.0
345.20566	7.2
363.17947	16.8
363.22769	3.7
381.19080	88.3
381.23459	3.5
382.19479	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	381.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
56.96558	43.7
57.03419	2.4
61.02910	3.7
65.88848	1.5
69.03403	5.9
71.04987	3.4
71.77989	3.3
73.02906	3.7
79.05488	2.0
81.03395	4.0
83.04971	2.9
84.96011	5.7
85.02899	20.0
87.04472	2.5
89.03880	4.5
97.02911	10.9
98.97569	100.0
99.04472	2.0
109.34245	1.8
110.07159	2.0
110.97557	16.7
112.99119	5.8
113.85850	1.8
115.00703	8.4
115.02368	2.9
116.07005	1.9
116.98608	56.5
117.03342	4.6
119.01885	8.1
119.04899	2.0
127.03885	6.5
128.02306	2.8
128.98595	22.9
129.02223	4.4
131.00188	9.5
131.01936	3.9
133.01746	13.6
133.03450	12.9
134.99638	17.5
135.04393	7.7
137.02882	2.5
140.98613	1.9
143.00142	6.1
143.01866	2.9
145.01704	4.2
145.02686	2.7
145.04922	6.2
146.99664	15.5
147.03239	6.9
147.04382	9.2
149.01149	8.7
151.02753	3.7
155.01817	4.3
157.01622	3.6
157.03477	2.7
158.99643	32.1
159.03242	11.5
159.05016	6.7
161.01198	13.1
161.02879	5.0
163.02673	2.5
163.03873	47.0
164.04260	2.8
165.00728	2.3
169.48468	2.0
170.99580	10.0
171.03325	3.4
171.04984	5.9
172.95050	1.5
173.01328	3.0
173.02921	7.3
174.99171	2.5
175.02780	10.4
175.04367	3.8
177.00699	33.5
177.04318	29.9
177.05914	3.4
179.02173	3.1
182.03345	2.3
182.99858	1.9
183.03220	2.7
183.05034	4.7
185.01157	3.4
185.02867	2.2
185.06744	3.0
186.99080	2.5
187.02824	2.2
187.04486	2.4
189.00700	16.3
189.04300	10.9
189.05798	2.3
191.02251	2.8
193.00206	4.9
193.03683	4.2
195.01700	3.3
195.05367	19.3
195.07117	4.4
201.00598	10.9
201.04326	17.1
201.06027	3.8
203.02264	2.3
203.03957	3.4
207.01761	4.5
207.05325	2.1
213.00662	2.4
213.06310	2.1
215.07637	2.1
217.03796	5.9
219.01732	42.8
219.05357	10.4
219.07208	13.9
221.05034	9.8
231.01761	3.0
231.07207	13.4
233.06740	2.1
233.08829	3.5
237.00369	2.8
237.02785	56.8
245.05074	13.2
248.99132	2.3
249.02875	5.1
255.03876	7.9
255.07085	6.0
261.02774	13.8
261.05850	2.0
261.08508	2.5
273.08209	5.7
275.00696	2.2
275.06232	2.0
277.05856	6.7
279.03879	9.8
281.05402	3.2
281.09030	2.8
285.05270	3.0
291.03812	5.7
295.06949	23.8
307.03485	2.5
307.06897	2.5
309.05151	2.6
317.12134	2.0
318.08524	2.2
321.08701	62.9
321.09915	61.7
322.10522	4.0
337.07571	1.9
339.09457	52.7
362.11801	2.5
363.05807	1.9
381.07349	17.5
381.10858	26.1
393.20160	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88291	0.7
56.53434	0.7
69.99037	4.1
69.99435	1.2
73.10420	0.8
74.84623	1.0
84.55855	0.8
87.98024	0.7
95.53947	0.7
104.27388	0.8
116.35966	0.7
201.01593	1.9
215.76636	0.7
219.02634	2.5
257.53546	0.7
376.43097	0.8
381.07889	100.0
382.08246	2.4
385.58536	0.8
392.27548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	25.5
69.03416	1.9
71.78481	1.1
74.06067	1.2
79.05452	1.1
84.95988	2.2
85.02895	3.0
86.09682	1.2
89.03890	6.9
91.05443	1.1
97.02853	1.7
98.97565	100.0
107.04919	1.4
110.97538	15.0
115.00674	5.2
116.98604	67.3
117.03349	5.3
117.98951	1.2
119.04923	1.6
124.99116	1.5
127.03848	1.9
128.98586	26.6
131.00093	1.5
132.97960	2.3
133.01703	6.3
134.98587	1.7
134.99629	34.4
135.04382	11.7
140.00215	1.4
140.98593	1.8
143.00150	9.8
145.02792	7.5
145.53604	1.1
146.99625	19.9
147.04375	8.6
149.01207	1.4
151.02689	1.3
153.00677	4.3
157.01704	7.5
158.01176	1.5
158.99626	40.6
159.03206	2.1
161.01208	8.0
163.03879	59.7
164.04211	8.1
165.00661	2.8
169.16721	1.0
170.99632	18.1
174.04393	1.1
174.99190	1.9
175.02759	24.1
177.00690	56.4
177.04247	6.6
185.01242	2.7
187.02763	1.8
189.00677	36.4
193.00200	2.1
193.03793	7.0
194.97961	1.6
195.01759	5.1
195.05389	3.8
200.02359	1.3
201.00653	15.2
201.04234	1.7
203.02219	3.5
205.03920	1.7
207.01727	10.6
212.02254	1.5
217.03809	20.2
219.01727	42.8
219.05205	2.4
229.03789	7.1
231.01657	2.5
237.00391	1.7
237.02765	30.2
242.03284	2.0
243.01727	2.5
247.04860	7.7
249.02800	5.2
250.02571	1.5
255.03835	9.1
260.04343	1.7
261.02792	26.1
267.03876	6.0
273.02826	3.2
277.05847	5.1
278.05499	2.4
279.03836	24.2
285.04837	3.3
289.05942	1.5
291.03799	8.7
295.06964	2.5
297.04733	2.0
302.05362	1.4
307.07001	2.5
309.04865	2.5
321.04868	7.8
321.08536	15.0
325.07962	1.6
339.01935	1.4
339.09464	8.1
363.05811	2.1
381.07001	16.7
381.11505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.7
55.05507	1.2
57.03421	1.6
59.04978	0.9
61.02923	2.3
67.05502	7.9
68.05830	0.9
69.03419	6.2
69.07066	2.6
70.27493	4.1
71.04984	5.2
73.02901	1.5
73.71538	1.0
79.05476	1.5
79.55132	1.0
81.03397	2.4
81.07050	3.9
85.02899	15.2
85.06541	1.8
91.05466	14.7
93.07035	12.7
95.04966	1.8
95.08591	34.6
97.02875	5.6
98.21384	1.2
99.04409	2.7
101.02367	1.9
105.07021	2.2
107.08529	0.9
109.10149	16.1
111.08111	1.1
119.08562	45.5
120.08938	1.7
121.10122	1.5
123.08028	1.1
123.11677	5.7
127.03909	2.6
131.50128	0.9
137.09599	60.6
145.04942	2.9
147.08022	5.7
147.11656	3.6
155.10654	12.2
165.09091	31.0
165.12735	4.1
172.59694	1.0
180.08641	4.2
183.10144	36.8
183.11723	2.0
183.13713	4.7
184.10524	1.2
201.11192	100.0
201.14787	8.3
202.11563	3.3
218.13852	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76137	1.3
53.05230	1.5
55.01854	1.8
55.05503	3.0
57.03431	2.0
59.04995	2.0
61.02917	2.1
67.05160	2.3
67.05501	40.5
67.57294	1.3
69.03416	7.5
69.86649	11.4
71.04980	4.6
72.13860	1.4
79.05486	13.9
81.03394	3.9
81.07047	24.4
83.04975	3.1
85.02898	11.8
89.32929	1.5
91.05469	26.6
93.07035	100.0
94.07371	1.9
95.04965	14.8
95.08598	22.6
96.08900	1.9
97.02885	4.6
97.06496	4.8
97.10165	3.9
98.21453	2.8
103.05409	1.8
105.07040	3.5
107.08575	27.5
109.02818	1.4
109.06501	20.3
109.10144	71.5
110.10479	1.6
111.08074	3.1
117.06998	4.8
119.07762	3.2
119.08572	48.7
121.06494	19.7
121.10127	23.5
122.10358	1.4
123.04430	1.5
123.08057	3.7
125.06048	2.1
125.09583	1.9
127.03927	2.7
135.08025	2.3
137.09604	76.6
138.09973	2.7
146.76768	1.5
147.08035	14.0
153.09090	24.6
154.09389	1.8
155.10635	3.3
159.12865	1.4
165.09105	91.2
166.09436	3.1
171.10175	12.4
180.08673	2.8
183.10178	22.5
185.02568	1.7
201.11227	19.7
375.09607	1.8
384.44641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31369	1.2
55.01867	2.1
55.05498	2.8
57.03427	3.6
60.04511	4.5
61.02920	3.4
67.05500	40.0
69.03425	20.5
69.82594	9.2
71.04984	3.7
72.93800	1.7
73.02892	1.9
79.05490	10.2
79.23998	1.6
81.03393	4.7
81.07050	20.8
83.04949	2.1
85.02888	19.8
87.04446	1.5
91.05468	24.8
93.07034	77.0
94.07384	2.1
95.04949	16.2
95.08585	21.6
97.02873	7.0
97.06513	6.3
97.10148	2.2
99.04469	1.8
103.05476	1.8
105.07026	7.3
107.04961	2.2
107.08587	16.9
109.06515	17.9
109.10146	57.5
110.10460	2.2
111.08032	2.2
115.07510	1.6
117.06993	3.8
119.04926	4.0
119.08571	49.9
120.08930	2.4
121.06496	41.6
121.10118	15.7
123.04462	2.0
123.08061	6.8
125.05978	1.7
127.03900	3.5
135.08014	2.3
137.09599	96.9
138.09940	3.8
139.07520	1.6
141.05473	3.6
145.04955	3.2
147.04398	16.5
147.08029	15.9
151.03812	1.5
152.96419	1.8
153.09093	14.4
155.10625	3.7
158.97366	1.9
165.09096	100.0
166.09456	5.2
171.10147	7.9
180.08592	2.7
183.10156	28.3
201.11169	13.3
234.99013	2.7
236.98297	1.6
260.09073	1.4
260.98251	1.6
363.01630	4.9
380.26361	3.9
381.02618	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	380.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.88546	0.5
55.01854	2.4
57.03431	0.5
59.04981	1.0
60.04520	2.5
61.02935	0.6
63.15010	0.6
67.05480	1.2
69.03425	1.2
71.04977	0.5
71.80151	0.7
71.80522	0.5
73.02905	0.6
78.04289	0.5
79.05470	1.9
81.03386	0.6
81.07047	7.3
85.02906	4.5
89.03882	0.5
91.05460	1.5
93.07011	1.7
95.01342	1.3
95.04922	0.8
95.08577	0.6
97.02872	1.6
97.06518	0.6
99.04447	0.5
100.12875	0.5
102.12830	0.7
105.07002	1.1
107.04942	1.3
109.06508	5.6
109.10154	1.5
119.04932	1.3
119.08572	1.3
121.06528	0.6
121.10145	3.2
127.03895	1.6
127.07520	1.1
135.04410	1.1
137.05959	100.0
138.06302	1.9
145.02818	1.0
145.04955	0.5
147.04381	3.6
147.11655	1.3
151.03891	0.8
153.01840	0.5
155.07065	0.5
160.25864	0.5
163.03880	4.2
164.48723	0.4
165.05511	0.7
165.09091	2.9
165.12714	0.9
169.04941	1.0
183.06512	59.5
183.10059	2.0
183.13736	2.7
184.06854	1.3
187.05939	1.0
201.07506	1.2
201.11157	0.5
221.37158	0.4
236.98245	0.5
259.97665	0.5
337.02396	0.6
362.25516	2.2
380.14508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2109
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
54.79385	4.3
57.07069	4.0
60.23370	2.9
65.59883	3.4
67.05489	4.7
68.51879	2.8
69.03419	22.7
69.07059	18.4
70.06149	10.6
70.06560	8.2
71.04993	7.5
79.05489	5.4
81.07040	13.6
91.05447	5.1
93.07039	11.9
95.04968	6.8
95.08597	7.2
105.07023	14.7
107.08581	12.0
109.06518	11.6
109.10135	13.8
113.05995	9.0
119.08558	6.2
121.06474	8.0
121.10128	33.7
123.04450	7.3
123.08024	3.6
123.11700	33.0
127.03907	3.8
128.59648	2.9
133.06470	5.1
133.10103	15.7
135.08020	4.7
135.11685	7.2
137.05902	3.4
137.09598	3.7
145.35715	3.5
145.51907	3.7
147.07983	6.4
147.11757	4.4
149.05911	20.5
149.81320	3.4
151.03926	7.5
151.07608	16.3
153.05481	6.3
161.05988	12.0
163.07626	3.4
169.04871	6.5
171.02687	3.4
175.07542	14.6
175.11177	8.7
177.05453	3.5
179.07014	24.8
179.55611	4.3
193.08533	7.6
195.06523	4.1
195.10072	4.0
197.08002	3.8
203.07063	22.3
205.08591	7.3
213.12709	3.6
221.08058	60.0
223.09596	7.3
239.09111	100.0
240.09355	5.6
269.04224	3.4
273.14899	7.1
279.17441	4.1
283.13467	4.6
287.12729	5.2
291.15726	5.4
293.08032	4.5
297.18399	7.8
301.14420	4.9
301.17648	3.6
307.16791	5.0
311.09125	21.2
315.19528	16.0
319.18689	4.7
325.18008	12.9
343.18951	59.9
344.19479	7.8
361.20001	68.8
362.20425	6.9
379.15967	5.7
379.20941	30.0
380.21030	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	379.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79040	0.9
53.03924	2.3
53.45308	0.9
55.01866	2.3
55.05505	16.5
57.03429	1.1
57.07059	2.2
59.04989	1.9
60.15534	0.9
66.72110	0.9
67.05489	7.4
67.55617	0.8
69.03411	3.9
69.07057	56.4
69.69568	6.5
70.07394	1.3
71.04966	3.2
79.05470	11.1
81.07039	8.4
83.01328	4.9
83.04982	1.3
83.08601	10.1
91.05472	10.8
93.07034	32.6
95.04962	4.4
95.08590	10.1
97.06519	6.7
100.47704	0.9
105.00126	1.4
105.04545	1.5
105.07011	8.8
107.04987	1.1
107.08582	31.4
109.02889	2.3
109.06487	4.3
109.10146	7.6
111.04414	2.0
111.11694	8.4
113.05992	4.5
116.85930	1.0
117.06985	2.4
119.04922	1.2
119.08554	4.6
121.06483	4.1
121.10121	14.3
123.04436	1.8
123.08053	2.0
123.11685	2.6
125.05962	2.1
127.03880	1.0
127.84903	0.9
129.07036	1.1
131.08548	2.3
131.29283	0.9
133.06471	1.2
133.10115	4.8
135.08044	3.9
135.11674	100.0
136.12019	3.6
137.05971	5.9
137.09596	1.4
137.13231	1.8
139.03859	1.4
139.11156	7.7
141.05392	1.0
143.08553	1.1
145.10112	3.4
147.04413	1.0
147.08044	2.3
149.05975	1.5
149.09567	1.9
151.07492	3.0
151.11183	1.0
153.05441	10.2
153.12718	5.4
155.03323	1.0
157.10173	0.8
159.08070	3.1
161.05971	1.8
162.06674	1.7
163.03905	2.6
163.07539	5.2
163.11182	10.1
165.05467	10.9
165.09106	1.3
167.07001	8.8
169.04941	4.0
175.07523	3.3
175.11147	2.2
177.05420	1.6
177.09045	6.3
179.03389	2.3
179.07011	2.4
181.08534	2.8
181.10161	1.2
181.12051	1.1
183.06522	6.5
185.13211	0.9
185.77083	0.9
187.07480	2.1
189.05420	1.8
189.09048	2.0
191.03340	2.3
191.06972	7.3
191.10759	1.3
192.04129	1.6
192.07629	1.6
193.04938	89.7
193.08580	8.3
194.05341	4.8
195.06516	2.2
197.08064	8.0
199.04071	1.0
203.10606	1.4
203.14372	1.0
205.08560	25.0
205.12033	1.3
206.08972	1.0
207.06512	10.5
209.08089	5.0
211.04231	7.6
213.09116	1.8
217.08578	1.8
221.08044	13.2
223.09595	24.4
225.07544	15.7
227.09079	16.4
229.12282	1.3
231.06477	2.0
231.10043	2.1
231.13741	1.8
233.08105	2.4
233.11794	5.1
235.09515	1.5
239.03691	17.5
241.08617	2.5
245.04732	1.7
249.11096	2.0
251.12785	4.7
255.10155	1.4
255.13640	1.3
256.10895	2.4
257.04749	20.4
257.07651	1.4
257.11725	3.1
258.05023	1.5
269.11685	4.3
273.11145	3.7
273.14771	3.6
275.12680	3.8
275.16272	1.9
277.14359	1.1
283.13464	1.1
287.12808	6.3
291.15820	3.0
293.13925	1.3
301.14594	2.1
301.17706	1.2
305.13892	4.4
312.92398	0.9
313.14221	1.4
315.15845	3.9
325.17944	6.3
333.15121	3.1
343.18948	19.0
344.19391	1.4
361.19968	12.0
379.21231	16.8
380.21475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.211
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
53.93731	2.6
67.05479	4.5
69.03423	18.6
69.34920	2.4
69.81882	14.5
69.82304	3.2
71.04977	7.0
81.07040	6.1
91.05469	4.9
93.07037	6.8
95.05004	2.7
95.08579	6.4
99.04448	4.0
105.07020	13.3
107.04984	3.4
107.08572	11.6
109.06500	9.8
109.10149	9.8
113.05984	7.9
119.08570	4.7
119.80724	2.3
121.06478	3.9
121.10126	25.5
122.10927	4.0
123.04419	3.4
123.08031	4.1
123.11704	26.4
133.06477	5.0
133.10121	11.9
135.11700	4.2
137.05949	3.0
143.08510	2.3
145.10106	3.5
147.07973	3.8
149.05959	15.4
151.03848	2.6
151.07555	10.1
155.43376	2.4
161.05989	8.8
169.04976	7.9
173.09621	2.4
175.07620	13.2
175.11176	7.2
177.09131	4.1
179.07037	23.4
193.08652	6.5
197.08095	3.0
203.07025	15.5
205.08589	8.4
213.12848	4.1
221.08086	52.6
222.08417	3.8
223.09630	9.1
239.09122	100.0
240.09390	4.0
273.14902	7.4
279.17529	4.3
279.21021	2.3
283.13455	2.8
291.15921	2.6
297.18494	7.2
301.14520	2.3
307.16837	3.0
315.19470	19.5
325.17969	10.9
343.19006	51.0
344.19034	4.5
361.20062	67.0
362.19980	4.5
379.21115	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2109
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
52.75381	2.7
55.05504	3.4
59.04969	2.7
67.05485	5.1
69.03416	22.5
69.07050	3.4
69.37328	2.6
69.73855	16.6
71.04987	6.5
75.49993	2.5
79.05502	5.6
81.07042	8.4
91.05480	6.0
93.07032	8.8
95.04950	3.3
95.08584	8.9
98.21429	3.7
99.04433	2.8
105.07027	16.6
107.08577	10.8
109.02838	2.9
109.06495	10.0
109.10134	20.6
113.05997	7.6
119.08566	5.4
121.06461	5.2
121.10126	23.4
122.10891	3.9
122.23513	2.3
123.04432	6.5
123.08035	6.0
123.11692	29.1
127.11192	3.0
133.06448	4.2
133.10088	12.4
135.11624	4.8
143.08597	4.1
147.08081	5.3
147.11606	2.8
149.05946	21.9
151.03862	7.6
151.07518	11.7
153.05402	5.0
157.10118	3.3
161.05984	13.4
169.04906	9.2
173.09599	2.5
175.07536	12.3
175.11151	9.8
177.05348	2.6
177.09032	4.5
179.03384	5.2
179.06999	22.7
183.68066	2.5
184.08965	2.4
184.70737	2.6
191.07025	2.4
193.08589	5.6
196.18326	2.7
197.08127	4.7
203.06970	19.0
205.08588	10.4
213.12730	7.5
221.08029	59.0
221.10016	3.6
223.09624	10.7
239.09105	100.0
240.09454	3.2
257.08151	2.9
273.14734	6.4
279.17328	3.9
297.18530	7.3
301.14221	3.2
307.16949	4.3
315.19482	20.7
319.18848	2.5
325.18005	12.0
343.18994	49.4
348.71371	2.5
361.20059	61.8
362.20593	3.8
379.21155	24.2
380.21207	4.0
394.48175	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2111
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
51.05122	1.3
53.03942	1.3
55.05507	6.2
57.07054	1.4
59.04969	1.5
63.39202	1.1
65.71131	1.2
67.05487	4.9
69.03430	1.6
69.07056	5.8
69.44559	1.2
69.73139	11.2
71.04980	3.0
79.05482	12.5
81.07040	8.9
83.01325	3.5
91.05463	14.2
93.07035	58.3
95.04948	3.8
95.08597	11.0
97.06525	2.0
98.20717	2.5
102.42822	1.2
105.07030	9.8
107.08582	58.0
108.08923	1.7
109.06480	3.0
109.10131	6.7
113.06014	2.1
115.89117	1.2
118.35132	1.4
119.08557	5.4
121.06503	2.8
121.10130	26.1
123.04432	1.3
123.08071	1.6
123.11679	2.4
133.10110	7.2
135.08043	2.6
135.11676	100.0
136.12047	3.9
137.05997	1.8
137.13220	2.7
139.11153	6.5
141.05486	1.6
145.10083	2.0
149.09555	2.5
151.07460	2.4
153.05499	2.3
153.12730	3.8
159.08035	1.9
163.07518	4.4
163.11179	4.9
165.05418	1.6
167.07027	10.9
169.04941	7.3
175.07530	1.9
175.11154	1.7
177.09091	4.8
179.03419	1.8
179.06963	3.2
183.06531	3.7
189.05379	1.9
189.09174	2.6
191.06967	9.4
192.07506	1.7
193.04933	3.1
193.08609	3.5
195.06697	1.5
197.08005	3.5
205.08598	13.0
207.06522	5.0
209.08073	7.4
217.08592	1.6
219.10130	1.6
221.08116	9.9
223.09612	13.8
225.07462	7.7
227.09109	30.8
229.08597	1.5
231.13789	2.6
239.03659	1.6
239.09021	6.2
243.10229	1.9
255.13777	2.2
257.04691	1.5
257.11624	2.5
269.11664	2.1
273.11481	1.4
273.14746	6.8
275.12860	2.8
283.13248	1.6
287.12680	2.6
295.13239	6.7
297.18481	2.4
301.14340	2.3
301.17749	1.8
309.14771	1.7
310.15463	6.2
315.19559	4.5
325.17935	19.7
326.18411	1.7
333.20404	2.2
343.19003	54.3
344.19147	6.3
361.20053	43.6
362.20392	2.2
379.21475	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	379.2108
Annotation	Methylmitrekaurenate
Peak:m/z	Relative Intensity
55.05491	9.2
57.07057	2.9
67.05482	6.8
69.03394	4.4
69.07057	66.8
69.45938	26.2
71.04943	2.8
79.05485	4.8
81.07048	7.5
83.01324	17.8
83.08604	3.4
85.02896	6.4
91.05464	8.6
93.07019	9.6
95.08590	16.0
97.10140	9.2
101.02364	5.0
105.03375	9.2
105.07012	40.5
107.07924	3.0
107.08537	16.1
109.10160	16.4
111.37750	2.0
117.07014	3.8
119.08568	14.7
121.10131	16.0
123.08027	8.3
124.71838	2.4
125.09619	3.8
127.11172	6.0
131.08565	7.0
133.10077	10.2
135.08025	5.6
135.11662	4.7
137.05917	2.5
137.59982	2.5
142.07756	4.8
143.08566	5.3
145.10083	25.8
147.11668	30.4
153.09099	4.6
157.10101	14.6
159.08037	3.9
159.11681	7.8
169.10115	6.6
171.11710	3.4
173.09592	66.6
173.13153	2.8
175.11153	100.0
175.14799	6.5
176.11488	2.5
179.07120	2.3
183.11639	6.3
185.13206	7.1
189.09079	9.7
191.07045	3.0
191.10600	11.2
193.12257	5.8
195.10025	3.4
197.11630	3.0
197.13278	4.6
199.14749	6.8
201.12753	8.7
203.14352	4.5
205.12248	2.4
209.13211	4.8
211.11165	9.0
213.12643	3.7
215.10626	3.2
215.14186	6.0
221.13190	3.4
223.09737	3.1
223.14905	4.6
229.12206	44.5
231.13870	5.9
235.95792	2.4
243.13853	2.6
247.13321	12.3
251.17853	8.4
253.19513	5.1
255.21133	6.8
257.11725	6.0
261.16666	3.4
263.17920	7.1
271.20590	9.3
273.22083	36.9
275.12680	29.7
278.59784	3.0
279.17395	13.0
281.18808	5.9
287.16290	3.4
293.13818	26.2
297.18542	6.2
299.20071	23.3
300.20349	2.9
307.16861	5.5
315.19424	11.5
316.20370	2.6
317.21024	33.2
325.17972	15.7
333.20639	5.1
335.22098	4.2
343.19009	54.9
344.19174	4.7
361.20053	26.4
379.10257	3.1
379.20996	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	379.2109
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
50.60069	0.9
53.03920	1.7
55.01863	1.3
55.05508	7.6
57.07058	1.8
59.04985	2.0
64.13306	0.8
66.79741	0.8
67.05496	5.2
69.03422	3.0
69.06689	1.9
69.07061	36.6
69.67538	1.5
69.67950	6.1
71.04990	2.5
79.05467	5.8
81.07054	4.3
83.01350	3.3
83.04977	1.6
83.08612	2.5
85.06548	1.1
91.05463	8.5
93.07030	27.5
93.65269	0.8
95.04967	2.6
95.08595	8.5
97.06538	4.1
98.05993	0.8
104.57842	1.0
105.07022	4.6
107.08582	23.5
109.06462	1.0
109.10130	6.8
111.11709	6.4
113.06002	2.5
119.08547	2.1
121.06522	2.2
121.10133	12.5
123.04434	1.2
123.08086	1.6
123.11720	1.2
131.08592	1.1
131.55196	0.9
133.06422	1.3
133.10130	2.6
135.11679	100.0
136.12016	2.8
137.05991	1.9
139.11195	5.4
145.10141	1.7
147.08046	1.0
149.09602	2.0
151.07510	1.5
151.11110	1.1
153.05458	7.1
153.12721	1.7
155.03416	1.3
157.04950	1.0
159.08040	2.0
161.06018	1.4
162.06770	1.9
163.07515	4.2
163.11169	13.3
165.05377	1.1
167.07050	5.9
169.04958	2.3
175.07541	2.3
175.11134	1.1
177.09102	4.6
179.07076	2.0
181.08522	1.7
183.06520	6.0
187.07513	1.3
189.05452	1.9
189.09016	2.0
191.07066	5.6
193.08571	3.8
195.06474	1.1
197.08104	6.4
203.07127	1.3
205.08560	17.1
207.06508	7.6
209.08073	3.4
213.09129	1.0
217.08594	1.1
221.08025	7.1
223.09637	14.9
225.07516	13.0
227.09097	12.1
231.13780	1.2
233.11758	1.4
235.09448	0.9
241.08585	1.9
255.10138	1.2
256.10944	2.6
261.11270	1.4
273.14822	1.9
275.12671	1.9
287.12784	1.5
291.15897	2.7
299.37079	1.0
315.19241	1.2
325.18082	4.7
343.18982	10.0
361.20081	3.5
379.21191	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	379.2111
Annotation	11alpha-Hydroxypoststerone
Peak:m/z	Relative Intensity
55.01868	2.2
55.05500	4.4
57.07073	1.5
59.04984	1.3
60.42297	0.9
62.89503	1.0
67.05501	5.9
68.99817	1.0
69.03424	14.1
69.07069	4.3
69.54546	10.6
71.04990	6.1
79.05483	6.3
81.03439	1.8
81.07050	11.4
83.04995	2.1
85.02888	1.0
86.09669	1.2
89.94218	1.0
91.05476	4.4
93.07043	10.9
94.90704	1.0
95.04936	5.3
95.08593	7.5
97.02885	1.7
97.06542	1.3
99.04457	3.6
105.07027	10.6
107.04926	2.0
107.08582	8.2
109.02878	3.8
109.06506	8.8
109.10155	11.5
109.38601	1.0
111.04439	2.1
113.06008	7.7
113.39567	1.1
115.05475	1.6
117.07047	2.1
119.08582	4.8
121.06500	4.1
121.10134	25.6
122.10904	2.2
123.04422	5.7
123.08036	3.8
123.11699	27.1
125.02355	1.4
127.03967	1.0
127.54514	1.1
129.07005	1.3
131.08568	2.0
133.06511	4.7
133.10124	11.5
135.04384	1.0
135.08072	2.4
135.11667	7.0
137.05949	2.5
139.03929	3.2
139.05519	1.0
141.05476	1.4
145.10072	2.6
147.08031	3.7
147.11681	3.2
149.05959	15.3
151.03885	6.6
151.07544	13.6
153.05489	3.3
157.04927	1.2
157.10159	1.4
159.08015	2.0
161.05942	9.0
165.05458	1.0
165.09123	2.2
169.04988	7.0
171.11732	1.8
173.09663	2.0
175.07578	13.0
175.11229	5.6
177.09131	3.0
179.03514	1.6
179.07008	17.1
181.08559	1.5
185.09641	1.6
185.13167	2.0
187.11305	1.3
189.09126	1.4
191.07089	2.0
193.08577	6.9
195.06509	2.8
195.10115	2.3
197.08063	6.9
203.07034	16.6
203.14426	1.2
204.07597	1.3
205.08569	6.4
209.08144	1.3
213.12769	2.6
217.04915	1.3
217.08624	1.6
219.09985	1.6
221.08075	49.0
222.08440	2.0
223.09634	6.1
227.10718	1.4
235.09619	1.3
239.09125	100.0
240.09468	4.7
245.04608	1.7
247.09663	3.0
255.13763	2.6
257.08011	1.7
257.11899	1.7
265.12097	1.3
273.11218	1.7
273.14908	3.9
277.03268	1.4
279.17792	2.4
283.13196	1.3
283.16776	1.4
287.12677	2.1
291.15839	1.5
297.18484	4.1
299.20056	1.7
301.07285	1.6
301.14453	2.5
301.17926	2.4
307.16849	2.1
311.08932	1.2
315.19482	11.8
325.17935	9.9
343.19009	42.4
344.19324	2.9
361.20056	66.7
362.09677	1.2
362.20453	2.8
379.09756	1.3
379.13840	2.4
379.21164	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	379.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01912	1.7
52.41518	1.8
53.03940	2.1
53.34462	1.9
55.05506	10.8
56.83893	1.7
57.07062	3.6
61.02922	2.2
67.05481	11.5
69.03416	7.6
69.07057	71.8
69.07432	3.9
70.06573	4.0
71.04988	4.7
79.05474	8.0
81.03424	4.4
81.07023	10.0
83.01331	27.7
83.04939	3.9
83.08603	4.4
83.36165	2.1
85.02902	9.4
91.05459	9.5
93.07037	15.6
95.04940	6.3
95.08601	17.8
97.06546	2.9
97.10159	12.4
99.08086	3.1
99.74626	1.7
101.02385	2.7
102.22128	1.8
105.07013	42.3
107.04964	2.1
107.08573	16.5
109.06516	3.1
109.10143	17.6
113.09608	2.5
117.06980	3.6
119.04916	3.4
119.08576	16.3
121.06522	3.9
121.10110	9.8
123.04455	2.7
123.08071	4.9
123.11689	7.4
125.09608	5.6
127.11230	3.7
129.07011	4.4
131.08578	5.1
133.10104	8.9
135.08044	2.8
135.11694	11.1
137.05957	2.7
137.09599	3.1
138.44289	1.9
139.11151	3.7
142.07742	3.4
143.08533	4.6
145.10081	21.5
146.10886	2.2
147.08006	2.2
147.11656	23.7
149.05937	2.1
149.09627	2.3
151.11253	2.5
153.05383	3.0
153.09094	2.8
157.10078	14.2
159.08017	2.2
159.11691	7.0
163.07510	4.5
163.11169	3.8
168.09293	2.5
169.10100	3.9
171.11684	3.6
173.09595	73.3
173.13284	4.5
174.10065	2.6
175.11156	100.0
176.11510	3.7
177.09111	7.1
179.06981	2.1
183.11719	6.7
185.13225	5.4
187.07526	5.9
187.14813	2.7
189.09053	11.7
191.10655	8.9
193.12216	7.9
195.10182	2.7
197.13257	5.2
199.14793	10.0
201.09056	2.2
201.12788	8.1
203.14273	3.3
205.08524	20.5
205.10217	2.0
209.08173	2.4
209.13306	4.3
211.11201	7.5
211.14780	2.1
213.12685	4.0
215.10667	3.7
215.14360	2.8
221.08070	2.9
221.13203	2.4
223.09605	24.9
225.12846	4.6
229.12199	49.2
230.12773	2.8
231.13828	7.1
237.12883	3.0
239.14124	2.3
243.13736	3.9
247.13324	6.7
251.17961	8.9
253.19475	6.8
255.21031	5.3
257.11719	7.7
261.14792	3.4
263.17838	4.1
267.09097	5.1
271.20514	5.4
273.03979	2.7
273.14877	4.4
273.22089	43.3
274.22449	3.6
275.12729	35.4
279.17410	7.7
281.19012	4.6
285.10120	7.6
287.16422	2.6
291.23309	2.3
293.13791	31.5
297.18500	8.1
299.11661	5.4
299.20056	22.9
307.16672	2.2
315.19498	8.9
317.21127	13.3
325.17917	12.4
333.20871	2.8
335.22040	3.5
343.18970	40.6
344.19388	4.5
361.09882	2.9
361.20047	20.6
379.10504	2.3
379.21124	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	379.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.1
53.03935	0.7
53.14488	0.1
53.19702	0.1
55.01858	1.4
55.05502	0.9
57.07073	0.1
65.03924	0.5
67.05489	1.2
68.99753	0.7
69.03417	0.4
69.07056	0.6
71.81894	0.2
72.14376	0.1
77.03959	0.3
79.01841	0.1
79.05482	2.2
81.03410	0.2
81.07042	0.9
83.01326	4.2
83.04969	0.2
91.05466	2.8
93.03398	0.4
93.07029	11.0
94.07357	0.1
95.04953	2.7
95.08617	0.3
98.66176	0.1
99.00803	0.3
105.03377	7.8
105.04511	0.3
105.07017	1.2
107.01312	0.3
107.08577	13.2
108.08885	0.2
109.02862	0.7
109.06529	0.5
109.10133	1.4
119.06006	0.2
119.08547	1.0
120.09340	0.2
121.06480	0.3
123.00804	0.3
123.04398	1.0
123.11693	0.6
127.03881	0.4
129.03406	0.2
133.02821	0.2
133.10121	0.2
135.11673	19.8
136.11984	0.3
137.02318	4.2
137.09657	0.1
141.01805	4.8
141.05429	0.2
151.03882	5.4
155.03374	2.6
155.08551	0.1
161.02347	0.4
161.05928	0.2
165.05453	0.1
167.03378	5.3
169.04916	0.7
179.03365	69.0
180.03690	1.3
183.08093	0.2
189.05443	0.1
191.03397	0.1
193.04941	2.1
197.04422	46.0
198.04752	0.6
203.24568	0.1
207.06374	0.1
211.05879	0.2
211.07579	0.3
217.04982	0.8
220.06105	0.1
221.08244	0.1
235.05972	0.3
245.08058	8.9
246.08406	0.2
257.08041	100.0
258.08395	2.5
271.09592	1.4
285.63583	0.1
295.09616	1.2
297.11060	0.2
299.12628	0.2
301.14383	0.2
309.11136	0.1
312.09219	0.1
323.12695	1.6
324.13477	0.1
361.17880	0.2
379.18967	9.2
380.19418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
52.46055	0.1
53.03933	0.7
55.01858	1.8
55.05490	1.0
57.07057	0.3
65.03924	0.6
67.05494	1.7
68.99759	0.8
69.03414	1.1
69.07056	1.0
69.89735	0.8
72.64483	0.1
77.03921	0.3
79.05482	2.3
81.03400	0.2
81.07043	1.4
83.00848	0.3
83.01324	5.0
83.04942	0.2
91.05461	3.0
93.03378	0.5
93.07029	12.4
95.04950	3.5
95.08613	0.4
97.57885	0.1
99.00790	0.6
105.03376	13.4
105.04499	0.5
105.06986	1.5
107.01293	0.5
107.08575	14.6
108.08829	0.2
109.02850	0.9
109.06477	0.6
109.10133	2.3
116.18965	0.2
119.08553	0.8
121.06461	0.6
121.10176	0.2
123.00739	0.2
123.04398	1.4
123.11659	0.9
127.03869	0.4
129.03372	0.3
133.02829	0.2
135.11668	21.1
136.11986	0.4
137.02319	4.8
141.01802	5.0
147.04347	0.2
149.05952	0.2
151.02646	0.3
151.03879	5.9
155.03377	2.9
161.02394	0.2
161.05928	0.5
165.05470	0.2
167.03371	5.6
169.04948	1.0
177.12733	0.2
179.03362	76.3
180.03728	1.2
183.07947	0.2
183.28931	0.1
189.05414	0.5
191.03421	0.2
193.04939	7.2
196.31572	0.2
197.04419	51.6
198.04767	1.0
203.03374	0.2
205.04904	0.3
207.06425	0.2
211.05884	0.8
211.07692	0.2
217.04922	8.1
218.05266	0.4
219.06477	0.5
220.05986	0.2
221.04387	0.2
221.08032	0.3
231.06395	0.3
235.05980	2.0
235.24695	0.1
239.06992	0.5
245.08058	11.3
249.09175	0.2
257.08038	100.0
258.08368	2.7
259.09531	0.2
269.07993	0.2
271.06705	0.3
271.09613	5.1
272.09998	0.3
280.07257	0.5
281.07962	0.3
285.11179	0.3
295.09604	9.6
296.09860	0.4
297.11194	0.5
299.12769	0.5
301.14328	0.7
309.11160	0.3
323.12708	5.1
324.13211	0.2
361.18152	0.2
361.22684	0.4
379.18970	21.9
380.19376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1901
Annotation	Mulberrofuran L
Peak:m/z	Relative Intensity
53.03929	1.7
55.01854	2.1
55.05512	3.1
57.03427	0.4
57.07067	0.8
62.53969	0.3
62.65309	0.3
65.03929	0.6
67.05497	4.2
68.99780	0.7
69.03406	1.1
69.03735	0.3
69.07063	8.7
70.99420	1.0
75.29137	0.3
77.03896	0.5
79.05479	2.2
81.03394	0.6
81.07047	11.7
82.85912	0.4
83.01331	4.9
83.08587	0.6
91.05470	1.7
93.03357	0.5
93.07038	7.7
95.04960	4.4
95.08607	3.0
97.10181	0.5
105.03383	36.0
105.04488	0.9
105.07021	1.9
106.03682	0.6
107.08585	7.9
109.02890	1.0
109.06499	0.7
109.10146	5.0
111.11698	0.7
119.08603	0.6
121.06516	1.6
121.10117	0.8
123.00822	0.6
123.04429	1.1
123.11696	36.2
124.12057	0.9
127.03873	0.6
127.11180	0.7
133.06534	0.4
133.10155	0.8
135.08038	0.8
135.11688	10.3
137.02338	3.7
141.01813	4.6
147.04391	0.5
149.05908	0.4
149.09599	0.5
151.03893	6.3
155.03374	2.4
159.08066	0.4
161.05975	1.4
163.07626	0.7
167.03424	2.9
169.04936	1.0
175.07576	0.4
177.09113	0.9
177.12651	0.6
179.03380	80.9
180.03725	1.3
181.04909	0.7
185.06123	0.3
187.07597	0.4
189.05490	0.8
189.09140	0.4
191.03368	2.8
191.06963	0.8
193.04985	5.7
193.08591	0.7
197.04440	48.2
198.04868	0.9
203.03363	7.4
203.07033	1.2
205.04953	1.7
205.08586	5.8
207.06355	0.3
209.29735	0.4
211.05948	0.8
211.07730	0.4
217.04944	20.0
219.06502	3.1
219.10167	0.7
220.10478	0.5
221.04503	2.7
221.08073	1.4
223.09647	5.3
229.04968	0.6
230.05664	0.5
231.06490	1.9
233.08221	0.5
235.05992	5.2
236.69028	0.3
238.11594	0.7
241.08565	0.5
245.08083	7.0
249.07693	0.3
257.08066	100.0
258.08386	2.7
259.09717	0.9
261.11215	0.4
269.08118	2.2
271.09607	3.9
281.08087	6.1
282.66629	0.3
283.09534	1.8
285.11252	0.4
287.12708	0.5
295.09653	12.0
296.10004	0.5
297.11169	2.8
301.14337	3.1
309.11267	0.9
311.12790	0.5
312.83917	0.3
323.12759	5.4
325.17853	0.4
337.14307	1.0
343.18936	4.2
349.63034	0.4
361.19794	1.1
379.19012	86.7
380.19385	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	379.1899
Annotation	Myrtiaphenone B
Peak:m/z	Relative Intensity
53.00292	0.3
53.03942	2.2
53.86115	0.3
55.01859	1.9
55.05496	2.1
55.74295	0.4
57.07051	0.7
61.57384	0.3
62.48325	0.3
65.03916	0.7
67.05178	0.4
67.05493	5.0
68.99770	1.0
69.03414	5.2
69.07066	2.0
69.07360	0.4
70.09777	1.3
70.10186	0.7
77.03931	0.8
79.05466	2.7
81.03398	0.6
81.06589	0.5
81.07045	5.9
83.01320	6.4
83.04908	0.3
83.08591	0.4
83.23745	0.3
91.05469	3.1
93.03375	0.5
93.07027	12.8
94.07359	0.5
95.01276	0.4
95.04954	6.5
95.08586	2.2
99.00771	0.4
104.24888	0.3
105.03374	40.0
105.06998	1.9
106.03715	0.5
107.01252	0.4
107.04951	0.5
107.08575	9.2
108.08865	0.5
109.02851	0.8
109.06499	0.7
109.09403	0.4
109.10136	6.7
119.04912	0.5
119.08541	0.6
121.06488	5.3
121.10064	0.4
123.04414	3.1
123.11691	2.0
127.03895	0.5
129.03362	1.0
131.08499	0.4
133.10103	0.8
135.11668	12.3
136.12021	0.4
137.02306	6.7
141.01794	4.2
147.04376	0.7
147.08020	0.4
149.09564	0.7
151.03880	8.0
153.05443	0.3
155.03380	3.0
161.05992	1.7
165.05486	0.7
167.03368	5.4
169.04945	1.2
175.03899	0.4
175.07393	0.5
177.05432	0.6
177.09085	0.5
177.12630	0.8
179.03365	92.0
180.03702	1.3
189.05443	3.0
189.09007	0.4
191.03320	0.7
193.04941	54.2
194.05286	0.8
197.04419	47.9
198.04790	1.1
199.07581	0.5
203.03426	1.6
203.07060	0.7
205.04901	1.4
207.06425	2.2
211.05980	5.9
211.07805	0.6
217.04927	8.8
217.08272	0.5
219.06462	1.7
219.09995	0.4
220.10553	1.2
221.04381	1.1
221.08061	1.4
221.10919	0.7
223.09637	0.6
229.04938	1.2
231.06581	1.6
233.08086	0.7
234.11890	0.4
235.05968	2.9
235.12192	0.4
237.11385	0.5
238.11578	1.5
239.07004	0.6
239.11722	1.6
245.08047	25.0
246.08417	0.8
252.13187	0.5
253.13242	0.5
257.08041	100.0
258.08411	3.0
259.09753	0.6
263.09048	0.9
267.10147	1.5
271.09607	43.6
272.09995	1.7
280.07220	0.6
281.08005	1.9
283.09564	1.2
283.12860	0.4
285.11157	1.5
295.09604	26.4
296.09943	0.6
297.11163	1.7
299.12689	3.2
301.14417	3.1
305.16324	0.5
309.10992	1.6
311.12677	0.5
323.12726	42.2
324.12976	2.3
337.14209	1.1
361.18909	0.4
361.22870	2.6
379.19009	83.9
379.23447	4.9
380.19406	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	379.1898
Annotation	Pawhuskin B
Peak:m/z	Relative Intensity
51.02387	0.3
53.03942	1.2
55.01859	1.6
55.05505	2.4
57.07055	0.6
65.03938	0.5
67.05495	3.3
68.99799	0.6
69.03412	0.6
69.07061	8.6
71.06560	0.3
73.68167	0.2
74.41386	0.1
77.03956	0.5
79.05485	2.1
81.03409	0.4
81.07047	3.0
83.01323	4.9
83.08600	0.4
91.05476	2.0
93.03384	0.5
93.07034	6.1
95.04952	4.7
95.08601	1.1
99.00793	0.5
105.03378	32.1
105.07009	1.5
106.03702	0.4
107.01324	0.3
107.04922	0.7
107.08582	6.3
107.09306	0.3
109.02871	0.6
109.06504	0.6
109.10142	4.8
111.11732	0.5
119.08534	0.5
121.06492	1.2
121.10104	0.2
123.00802	0.4
123.04419	0.9
123.11685	1.7
127.03923	0.3
129.03358	0.3
129.07072	0.2
133.06477	0.8
133.10120	0.3
135.04364	0.9
135.11679	7.8
137.02330	3.9
141.01822	3.5
145.10086	0.2
147.04385	2.1
147.07951	0.2
149.05946	0.3
151.03891	5.0
151.59985	0.2
153.05440	0.2
155.03381	1.8
159.08037	0.2
161.05962	12.8
162.63751	0.2
163.03873	0.8
163.07539	0.3
163.40575	0.2
167.03377	2.4
169.04947	0.7
171.07985	0.2
173.05925	0.2
174.06723	0.4
175.03871	0.4
175.07564	0.5
177.05406	0.4
177.09116	0.2
177.12704	0.3
179.03372	76.0
180.03711	1.4
181.04948	1.5
189.05486	1.1
191.03380	4.1
191.07045	0.3
193.04942	2.9
195.06447	0.2
197.04431	41.1
198.04742	0.7
203.03369	1.6
203.07014	0.6
205.04936	0.8
205.08551	0.3
207.06537	0.5
209.04436	1.9
211.05896	0.3
217.04938	8.2
217.08269	0.3
218.05287	0.2
219.06543	2.5
219.10161	0.3
220.06079	0.2
221.04424	4.0
221.08051	0.4
222.04703	0.2
223.06024	0.3
223.09448	0.3
230.05675	0.2
231.06505	1.1
233.08009	1.0
235.05988	20.0
236.06305	0.5
238.11588	0.2
239.11719	0.2
241.08585	1.6
245.08055	6.3
246.08315	0.2
248.06709	0.2
249.07520	0.7
255.10123	0.6
257.08054	100.0
258.08408	2.6
259.09512	0.4
259.13248	0.2
263.09268	0.4
269.08093	4.8
270.08185	0.2
271.09622	2.1
279.10223	0.2
281.08072	3.1
283.09647	0.5
284.26358	0.2
285.11133	0.3
295.09628	18.6
296.10010	0.7
297.11145	1.7
299.12683	0.6
301.14438	0.9
307.09634	0.2
309.11154	1.6
311.12753	1.9
319.15384	0.5
323.12720	3.9
328.84393	0.2
337.14288	0.5
360.20944	0.2
361.17755	0.3
379.19000	58.1
380.19424	2.4
396.73376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08541	0.6
54.94509	0.5
55.01846	0.7
55.05503	6.0
57.03399	0.8
57.07069	3.9
64.12724	0.5
67.05500	3.0
69.03410	1.8
69.07050	2.2
71.04976	1.0
71.14771	1.9
76.12402	0.5
79.05493	1.7
81.03387	0.7
81.07060	4.9
82.07357	1.5
83.04968	3.5
83.08623	0.8
84.05293	0.7
85.02908	2.7
85.06526	2.4
91.05469	1.6
92.05813	0.6
93.07041	5.5
95.04951	1.2
95.08595	7.6
96.08851	1.3
96.40800	0.5
97.02896	0.8
97.06533	1.3
97.10115	0.5
105.03396	0.8
105.07018	2.2
107.08586	9.4
109.06489	1.8
109.10135	2.2
110.82112	0.5
111.04435	44.6
111.08065	1.9
111.55988	0.6
113.05962	0.7
119.08546	1.9
120.08862	0.8
121.06493	0.9
121.10092	2.3
123.08056	1.1
125.05989	10.7
127.03934	0.6
127.07526	1.9
133.10126	0.6
134.10439	0.6
135.08040	5.9
135.11685	11.8
136.12001	0.9
137.09453	0.8
137.13158	1.3
139.07521	2.7
145.10095	8.7
147.04535	0.7
153.12714	3.4
161.13203	1.5
162.13580	3.2
163.11172	13.9
171.56090	0.5
179.14297	1.8
180.14661	4.5
181.12216	100.0
182.12575	4.2
183.06372	0.5
198.15665	0.8
199.13281	45.3
200.13641	1.7
258.04504	0.7
296.30917	0.6
343.17450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1895
Annotation	Myrtiaphenone B
Peak:m/z	Relative Intensity
50.01581	0.4
51.02359	0.5
53.03938	1.9
54.04274	0.0
55.01868	0.2
55.05508	0.1
57.07063	0.2
65.03924	0.1
66.60994	0.0
67.05493	0.1
68.99797	0.1
69.07057	0.5
70.50504	0.0
71.73819	0.1
77.03902	1.0
79.05466	0.1
81.03407	1.2
81.07043	0.2
82.03738	0.1
83.01330	0.1
83.04990	0.1
91.05470	0.1
93.03371	0.1
93.07018	0.1
95.04951	9.4
95.74980	0.0
96.05282	0.1
99.00826	0.1
105.03374	100.0
106.03698	1.5
107.04922	0.1
107.08529	0.1
109.02851	1.5
109.10117	0.1
110.03210	0.3
111.03326	0.1
118.06543	0.2
121.02848	0.1
121.06469	0.1
123.11692	0.1
124.11976	0.1
128.46883	0.1
135.00758	0.1
135.04385	0.3
135.08153	0.1
135.11693	0.1
143.08627	0.1
149.02364	0.1
151.03876	0.2
155.08502	0.1
161.05989	0.1
161.09586	0.3
163.03882	0.8
163.84465	0.0
165.01820	0.1
167.03342	0.1
169.01367	0.1
171.11723	0.1
175.07545	0.1
177.01791	1.3
177.05508	0.2
178.02155	0.3
179.02237	0.2
179.03618	0.3
181.04939	0.8
181.06436	0.1
191.03427	0.1
195.02861	9.1
196.03200	2.3
197.03267	1.5
201.09102	0.1
203.03343	0.1
203.07150	0.1
205.08653	0.1
209.04323	0.1
217.08548	0.4
219.10129	2.7
221.04437	0.1
223.07497	0.2
229.05016	0.1
245.07948	0.2
255.06483	4.7
256.06815	1.4
257.07040	1.6
257.10690	0.1
263.09222	0.1
269.07880	0.1
273.14807	0.3
279.13773	0.1
281.08276	0.1
295.09735	0.1
295.13235	0.1
297.11133	0.1
309.40512	0.1
311.12747	0.8
323.12711	2.6
324.12930	0.1
361.17212	0.1
378.76965	0.0
379.18936	14.5
380.19348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66546	0.6
53.03936	1.4
55.01861	2.9
57.03431	1.6
61.02896	2.1
67.05477	2.6
69.03430	5.2
69.04812	0.5
70.06595	0.8
70.28065	2.7
71.04960	2.5
73.53498	0.6
78.79865	0.6
79.05493	8.5
81.03393	2.6
81.07050	4.4
83.01334	3.8
85.02896	13.1
85.15450	0.6
91.03976	0.7
91.05470	5.6
93.07028	7.1
95.04928	1.2
95.08611	1.0
97.02898	4.5
97.06532	3.1
99.04446	10.2
101.02309	0.7
105.07015	5.0
107.04922	1.9
107.08583	36.1
108.08935	0.7
109.06496	2.0
109.10148	1.8
111.08035	1.5
117.06980	4.0
121.06476	1.8
121.10141	4.3
125.05932	0.9
125.09603	2.1
127.03907	1.8
135.08040	33.3
135.11607	0.9
145.04935	4.1
145.06242	0.8
153.09070	3.2
163.07526	100.0
164.07861	2.5
167.10596	1.2
173.06042	0.6
173.09628	0.6
174.09949	1.2
180.08640	2.6
181.08580	89.7
182.08946	1.8
189.10338	0.7
194.24944	0.6
199.09644	47.5
200.09987	0.8
208.13263	0.6
213.07635	0.7
214.07916	0.7
216.12392	1.6
246.79958	0.6
379.09995	2.1
401.70609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01851	3.0
55.05497	1.2
57.03420	1.2
61.02903	2.3
66.92570	0.7
67.05487	2.6
69.03425	4.7
69.07054	1.4
69.60956	7.5
70.06582	1.2
71.04964	2.6
72.08126	0.9
79.05481	8.8
79.44641	0.8
81.03394	2.7
81.07054	4.6
83.01311	3.2
85.02901	12.0
86.09693	3.9
91.05467	11.8
91.80721	0.8
93.07040	6.8
95.04995	0.9
95.08578	1.9
97.02861	4.5
97.06493	2.6
99.04435	5.9
105.07048	4.6
107.04935	3.2
107.08577	34.3
108.08889	1.2
109.06479	3.1
109.10114	1.5
115.05421	1.2
117.06996	9.4
119.08582	1.3
120.08104	4.2
121.06474	5.3
121.10111	2.6
125.09611	1.5
127.03931	1.3
135.08034	40.4
136.08403	0.9
142.54520	0.8
145.04939	3.0
145.06427	1.1
153.09044	4.0
163.07518	100.0
164.07890	2.9
180.08607	2.8
181.08569	78.1
181.12155	3.0
182.08952	2.5
192.59422	0.8
199.09630	52.8
200.10057	1.4
214.18007	1.4
215.18272	1.5
216.12312	2.3
216.18636	1.7
222.92072	0.8
231.77020	0.8
233.16414	1.5
265.15640	0.9
331.42453	0.9
378.24026	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01856	3.5
57.03407	1.1
58.26568	1.0
61.02895	1.9
67.05487	2.9
69.03429	5.1
69.51593	2.0
69.51994	9.3
71.04964	1.9
71.78300	1.0
79.05478	11.3
81.03400	2.9
81.07039	3.7
83.01320	2.3
85.02901	12.4
86.09674	2.5
91.05461	13.0
93.07032	11.2
95.08617	1.3
97.02867	3.0
97.06516	2.8
99.04439	4.2
105.07006	3.8
107.04921	3.1
107.08578	33.9
109.06503	1.6
109.10126	1.1
115.05449	1.8
117.01434	1.0
117.06417	0.8
117.07012	9.8
120.08089	3.6
121.06474	4.3
121.10106	1.8
125.00834	1.2
125.09621	3.1
127.03865	2.3
135.08031	46.5
139.07529	1.0
145.04926	2.1
145.06480	1.7
152.07491	1.0
153.09062	6.0
159.45441	1.0
163.07520	100.0
164.07840	1.3
180.08633	3.7
181.08571	86.3
182.08929	1.8
199.09627	53.2
214.18048	1.3
216.12299	2.4
217.09087	2.3
261.15817	1.5
289.57687	1.1
333.17291	1.0
342.07156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2318
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
53.03925	0.5
55.01838	0.4
55.05505	1.2
57.03404	0.7
57.07065	5.1
59.04985	0.2
65.03925	0.3
67.01852	0.2
67.05492	2.5
69.03411	0.6
69.07061	1.4
71.04986	1.3
71.58936	0.3
79.05478	1.7
81.03410	1.1
81.06606	0.3
81.07044	3.9
83.01324	2.6
83.04961	0.4
83.08591	0.5
85.02899	0.3
85.06528	2.8
89.06013	0.4
91.05462	2.4
93.07029	9.8
94.07335	0.2
95.04942	1.1
95.08584	2.6
102.01550	0.2
105.03363	0.5
105.07014	1.5
105.39384	0.2
107.04951	0.3
107.07906	0.4
107.08575	5.6
108.08874	0.2
109.02876	2.2
109.06487	1.6
109.09496	0.3
109.10152	3.5
111.04406	0.3
111.08071	0.2
115.05460	0.3
117.06979	0.5
117.19612	0.2
119.04893	0.4
119.08581	1.0
120.09345	0.2
121.06488	2.7
121.10132	1.2
123.04400	0.4
123.08023	0.6
123.11694	1.9
127.07490	0.4
129.06961	0.5
130.07837	0.2
131.08527	0.8
133.06448	0.3
133.08517	0.2
133.10120	0.5
135.04453	0.2
135.08052	2.6
135.11668	6.7
137.05930	1.4
137.09558	0.5
139.03873	0.8
141.05478	0.2
143.08542	0.3
145.06465	0.8
145.10114	2.0
147.08051	0.3
147.11714	0.2
149.05984	1.2
149.09627	1.3
149.13144	0.2
153.01793	0.3
153.05438	1.8
153.12709	1.5
155.08563	0.4
158.07219	0.3
159.08041	0.7
159.11705	0.7
161.05959	0.6
162.06708	0.5
163.07513	6.4
163.11169	1.0
164.07867	0.3
165.05476	1.1
167.03368	0.5
167.07001	0.7
169.04944	1.2
169.10080	0.5
171.08012	0.4
172.08804	0.3
172.10321	0.2
173.05954	0.3
173.09607	1.7
175.07501	0.9
175.11011	0.2
175.99330	0.2
176.08305	0.7
177.01799	2.0
177.05450	7.9
177.09077	6.1
177.12686	0.7
178.05853	0.2
179.07007	0.6
181.04924	0.8
181.08638	0.3
183.08069	0.3
183.11693	0.3
187.07542	0.7
187.11115	0.8
189.05515	0.2
189.09076	0.5
190.06186	0.6
191.07004	5.8
191.08786	0.3
191.10641	2.3
192.07722	0.3
193.04953	0.4
193.08537	0.3
195.02866	13.2
195.06491	2.6
195.10059	0.3
195.12190	0.3
196.03285	0.4
197.04482	0.2
197.09613	0.3
199.07555	0.3
201.05472	0.3
201.09084	2.2
201.12666	0.3
202.09662	0.2
203.07011	0.8
203.10593	0.4
204.07782	2.8
205.08578	2.5
205.12219	1.8
206.03041	0.2
206.09296	0.5
207.10069	0.7
209.08080	0.6
211.11224	0.3
215.07021	1.4
215.10625	2.1
217.08542	0.6
218.09294	1.2
219.06538	2.7
219.10130	32.7
220.10498	1.5
223.09630	0.8
225.08968	0.3
225.11137	4.2
225.13177	0.2
227.06947	0.2
229.08528	0.8
229.12155	1.0
230.09229	0.3
231.10194	0.6
231.13724	0.2
232.07289	0.2
233.07941	1.0
233.11693	19.0
234.12152	0.9
237.11172	44.6
238.11523	1.6
239.10651	0.7
241.08440	0.4
242.09364	1.7
243.06430	0.4
243.10083	1.7
243.13879	0.2
247.09557	0.7
247.13297	1.0
249.11208	0.4
251.12750	30.8
252.13118	1.2
255.06491	7.9
255.13707	0.3
256.06775	0.6
257.11682	6.1
257.15466	0.5
258.12201	0.3
259.13245	0.4
261.11169	0.9
261.14587	0.3
263.12695	0.7
265.14377	0.5
271.13376	1.2
273.14777	0.2
275.12756	13.8
275.16251	1.2
276.13049	0.6
277.14322	0.7
279.15866	0.6
283.13290	0.4
285.14825	4.9
286.15198	0.4
289.14316	1.0
291.15833	0.6
293.17313	2.4
299.16339	0.5
303.15872	19.1
304.16193	0.9
307.15317	0.3
317.17337	0.9
329.17365	0.4
331.19147	0.2
341.17401	0.3
341.21075	2.8
343.19092	0.8
352.79300	0.2
359.22107	100.0
360.22452	5.7
377.17947	2.5
377.23181	11.7
377.26956	0.3
378.23608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
51.89896	0.4
54.38674	0.4
54.50523	0.4
55.05486	1.3
57.03422	1.9
57.07075	3.0
58.31301	0.4
61.64500	0.4
61.77060	0.4
64.89564	0.4
67.05495	3.2
69.03416	1.2
69.07051	1.9
69.70569	2.9
71.04980	1.0
75.81885	0.4
79.05480	2.5
80.56004	0.4
81.07044	4.9
83.01328	1.8
83.04952	0.8
85.02876	0.4
85.06523	2.4
91.05450	2.8
93.07032	10.8
95.04944	1.1
95.08586	2.4
97.85392	0.5
104.27222	0.4
105.07015	2.5
106.07323	0.4
107.08583	8.5
109.06513	1.6
109.10135	3.7
113.09638	1.1
117.07014	0.9
119.08578	1.2
121.06473	2.6
121.10120	2.7
123.04389	0.6
123.08047	1.0
123.11701	1.3
127.07539	1.5
131.08556	1.5
133.06514	0.5
133.10110	1.2
135.08043	2.2
135.11668	9.9
136.12015	0.6
137.05949	1.5
137.09605	1.1
139.03871	0.8
141.09077	1.6
143.08572	0.5
145.06415	0.5
145.10118	1.7
147.08029	0.5
149.05931	1.0
149.09584	1.3
153.05470	1.8
155.08525	1.0
159.08043	0.9
159.11688	0.7
161.05942	0.9
162.06761	1.0
163.07526	5.8
163.11177	1.8
165.05489	0.7
165.09088	1.0
167.07071	0.6
169.04868	0.9
172.08780	0.4
173.09583	3.2
175.07509	0.7
175.11154	0.4
176.08286	1.3
177.05444	3.4
177.09058	7.1
177.12622	1.0
181.08548	0.7
183.10129	1.6
187.11183	0.9
189.09113	0.9
190.06216	0.5
191.07022	5.0
191.10646	5.7
192.07587	0.4
193.08533	0.5
195.06473	1.2
195.10069	0.7
200.08220	0.5
201.09088	2.0
203.07028	0.8
203.10728	0.7
204.07785	2.3
205.08565	4.2
205.12244	2.6
206.09341	1.4
207.10106	1.7
213.09088	0.6
214.09962	0.5
215.06961	0.6
215.10736	2.0
217.08524	0.5
218.09290	0.8
219.06541	2.8
219.10132	30.2
220.10464	1.1
221.07973	0.6
223.09625	1.1
225.11104	3.5
228.07761	0.6
229.08553	1.3
229.12253	1.4
231.10094	1.0
233.11699	14.6
234.11746	0.5
237.11180	27.3
238.11641	0.9
242.09402	1.0
243.10118	1.1
243.13710	1.0
245.11690	0.5
247.09682	0.6
247.13252	1.6
250.11263	0.4
251.12749	19.5
257.11707	8.3
257.15164	0.6
258.11945	0.6
261.11029	0.6
265.14438	0.5
271.13336	0.9
275.12769	16.7
275.16241	1.4
276.13058	0.6
279.15771	0.7
285.14832	6.3
289.14328	1.9
299.16406	0.9
301.14246	0.8
303.15872	13.6
304.16287	0.7
313.17926	0.5
317.17413	0.5
319.46887	0.4
323.50934	0.4
341.17249	1.2
341.21005	7.3
342.21646	0.4
359.22122	100.0
360.22409	4.7
377.19241	1.4
377.23215	4.3
389.60190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
52.44608	0.2
53.03922	0.8
55.01860	1.3
55.05503	2.4
55.05756	0.4
57.03429	2.9
57.07070	5.6
59.04979	0.3
65.03917	0.5
67.05494	5.3
68.99774	0.3
69.03397	1.1
69.07066	2.7
71.04951	0.3
71.52563	0.5
73.50145	0.2
79.05482	2.9
79.74973	0.2
80.61505	0.2
81.03396	1.8
81.07043	5.9
83.01322	3.4
83.04981	1.3
83.08597	1.0
85.02890	0.4
85.06527	4.3
89.06007	0.5
91.04927	0.3
91.05460	3.7
93.03353	0.4
93.07029	18.6
94.07342	0.5
95.04489	0.2
95.04948	2.4
95.08603	2.7
97.06516	0.3
97.10129	0.4
99.08076	0.3
105.02748	0.3
105.03378	4.4
105.07008	2.3
107.04931	0.6
107.08576	11.6
108.08919	0.3
109.02857	3.4
109.06512	1.9
109.10145	5.2
111.04414	0.4
111.08035	0.3
117.06980	0.7
119.04913	0.6
119.08578	1.5
121.02834	0.4
121.06482	3.7
121.10114	1.2
121.10849	0.2
123.03734	0.2
123.04414	2.1
123.08025	0.6
123.11682	3.0
125.05962	0.3
127.07539	3.3
128.06139	0.4
129.06955	0.8
130.07762	0.3
131.08545	1.7
133.06422	0.3
133.10060	0.9
135.04359	0.9
135.08049	4.4
135.11673	13.2
136.08348	0.2
136.11996	0.8
137.05988	1.2
137.09563	0.6
139.03854	0.9
141.01762	0.9
141.05437	0.7
142.07668	0.3
143.08502	0.3
145.06451	0.7
145.10121	1.8
147.08035	1.9
149.02298	0.5
149.05952	1.5
149.09572	3.0
151.03813	0.3
151.07489	0.7
153.05423	2.0
153.06783	0.4
155.08531	0.8
157.06401	0.3
157.10077	0.5
158.07298	0.4
158.46596	0.2
159.08029	1.4
159.11681	1.0
161.05927	0.8
161.09575	0.6
162.06702	1.0
163.03870	0.5
163.07524	6.9
163.11160	2.3
164.07762	0.3
165.01776	0.9
165.05429	1.2
165.09117	1.1
167.03360	1.4
167.07028	1.4
167.08395	0.3
169.01260	0.7
169.04953	0.3
169.10049	0.5
171.07916	0.3
171.24959	0.2
172.08746	0.5
173.09616	3.4
174.06729	0.5
175.07487	1.7
175.11078	0.3
176.08276	2.3
177.01787	2.6
177.05475	1.8
177.09079	10.4
177.12656	2.0
178.06172	0.4
179.03358	0.3
179.07007	0.6
179.10655	0.6
181.04872	0.3
181.08592	1.2
183.02846	0.7
183.10149	0.6
185.09560	0.3
187.07518	2.3
187.11087	1.2
188.08159	0.3
189.09068	1.4
190.06190	0.7
190.09856	0.9
191.03365	8.8
191.06993	5.6
191.10631	9.1
192.03578	0.3
192.07729	1.0
192.10912	0.3
193.08557	0.4
195.02863	16.8
195.10120	1.4
195.12210	0.8
196.03210	0.9
197.09520	0.3
199.07487	0.7
200.08273	0.6
201.01886	0.4
201.05304	0.3
201.09085	3.6
201.12753	0.4
202.09796	0.3
203.03242	0.2
203.06949	1.6
203.08791	0.3
203.10622	1.0
204.07784	2.5
205.04933	0.6
205.08571	9.4
205.12178	3.9
206.09335	2.8
207.10147	4.4
209.04419	10.9
210.04698	0.5
211.11066	0.5
213.09109	0.6
214.09875	1.4
215.03323	0.7
215.07008	1.0
215.10652	5.7
215.14050	0.3
216.11186	0.3
217.04935	0.5
217.08580	0.7
217.12114	0.3
218.09305	1.0
219.06781	9.4
219.10121	51.6
220.06815	0.4
220.10445	2.1
221.11572	0.3
223.09558	1.5
225.11160	5.2
228.07767	2.8
229.04990	0.4
229.08624	1.3
229.12189	3.6
230.09239	0.3
231.06548	0.3
231.10045	1.1
231.13724	0.3
232.10892	0.8
233.11697	24.4
234.12007	1.0
235.05952	0.3
237.11174	43.2
238.11562	1.9
239.10617	1.8
239.14389	0.4
240.11189	0.2
241.08578	0.5
242.09329	2.6
242.12878	0.4
243.06523	3.5
243.10143	1.8
243.13757	0.7
244.10721	0.3
245.08002	0.4
245.11731	0.6
246.08815	1.0
247.13263	1.2
248.13531	0.3
249.10786	0.3
251.12744	28.0
252.12915	1.3
255.06474	4.3
255.10229	0.5
256.10852	0.5
257.11697	24.1
257.15054	0.8
258.12158	1.6
259.13269	1.3
261.07550	1.8
261.11118	0.6
261.14798	0.7
263.12820	0.8
265.14413	0.4
267.13727	0.4
269.08072	7.2
269.11270	0.5
270.08459	0.7
271.10257	0.3
271.13229	1.1
273.14911	0.6
275.12750	30.1
275.16193	2.1
276.13144	1.8
277.14316	0.7
279.15845	1.0
283.09579	0.3
283.13412	0.4
285.14813	8.4
286.15170	0.7
289.14328	1.3
291.15756	0.4
293.07986	0.9
295.09607	2.5
296.09857	0.4
297.14789	0.3
299.12796	1.1
299.16446	0.5
303.15866	17.2
304.16162	1.0
311.16397	0.4
313.21463	0.4
317.13739	1.1
317.17191	0.4
321.11188	1.6
322.11636	0.3
335.12628	0.4
341.21060	13.9
342.21429	1.0
345.20609	0.5
359.22107	100.0
360.22482	6.7
360.27032	0.3
377.17526	25.9
377.23157	92.9
378.17825	3.1
378.23505	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	377.2317
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
53.03925	0.3
55.01854	0.2
55.05502	1.3
55.89294	0.2
57.03200	0.2
57.03425	2.0
57.07068	5.0
58.71042	0.2
59.04979	0.2
67.00816	0.2
67.05503	2.0
69.03416	0.7
69.07052	1.2
71.04972	0.9
71.31860	0.4
77.66891	0.2
79.05105	0.2
79.05492	2.1
81.03418	0.2
81.07045	3.5
83.01327	2.3
83.04951	0.5
83.08585	0.5
85.02884	0.2
85.06042	0.2
85.06537	3.2
89.06016	0.2
91.05455	2.2
93.07030	9.8
94.07351	0.3
95.04935	0.7
95.08601	1.6
105.07010	1.0
107.04928	0.3
107.08579	6.7
108.08875	0.2
109.02826	0.2
109.06527	1.4
109.10137	2.7
111.04409	0.2
111.08099	0.2
117.06984	0.7
119.08544	1.1
121.06484	2.4
121.10158	0.8
123.04423	0.3
123.08043	0.2
123.11713	0.9
125.05974	0.3
127.07549	1.9
130.07727	0.2
131.08543	0.9
133.06471	0.3
133.10080	0.5
135.08046	2.3
135.11676	8.6
137.05977	1.2
137.09604	0.5
139.03857	0.6
139.07559	0.3
141.05408	0.2
143.08543	0.3
145.06425	0.4
145.10121	1.7
147.04358	0.2
147.08014	0.4
149.05974	0.9
149.09589	1.9
151.07477	0.3
153.05476	1.3
153.09114	0.2
153.12726	1.6
155.08527	0.5
158.07259	0.4
159.08067	0.4
159.11696	0.4
161.05971	0.5
161.09572	0.4
162.06740	0.8
163.07521	4.3
163.11153	1.4
165.05449	0.7
165.09065	0.5
167.07051	1.1
169.04977	0.2
171.07928	0.2
172.08836	0.2
173.09593	1.9
175.07512	0.8
176.08308	1.4
177.05499	1.0
177.09087	6.4
177.12639	1.3
178.06215	0.2
178.09605	0.2
179.07056	0.4
179.10632	0.6
181.04889	0.2
181.08528	0.5
186.10411	0.2
187.07512	0.4
187.11145	0.9
189.09053	0.9
190.06157	0.5
190.09863	0.9
191.07021	3.5
191.10651	6.6
193.08505	0.3
195.02870	0.9
195.10184	1.0
197.09631	0.4
199.07571	0.3
199.09268	0.2
199.11066	0.3
200.08235	0.2
201.09061	1.9
201.12653	0.4
203.06978	0.7
203.10684	0.4
204.07796	1.9
205.08578	4.1
205.12219	2.9
206.09332	1.7
207.10146	2.7
211.11140	0.2
213.09105	0.2
214.09955	0.2
215.06975	0.4
215.10645	1.9
217.08528	0.5
217.12143	0.2
218.09364	0.5
219.06555	2.2
219.10133	34.2
220.10519	1.2
225.08961	0.2
225.11160	3.7
225.13234	0.3
227.10591	0.3
228.07788	0.6
229.08595	0.6
229.12201	1.1
231.10083	0.4
231.13728	0.3
232.10796	0.2
233.11699	18.0
234.12032	0.7
237.11180	29.0
238.11589	1.2
239.10649	0.2
241.08531	0.3
242.09216	0.6
243.10165	1.0
243.13864	0.4
244.10941	0.3
245.11671	0.4
247.13319	1.0
249.11249	0.3
251.12759	20.5
252.13272	0.9
255.06435	0.8
255.10136	0.2
256.10992	0.3
257.11682	7.4
257.15527	0.4
258.12183	0.5
259.13226	0.6
261.11209	0.6
261.14951	0.3
263.12878	0.4
265.14331	0.3
267.13699	0.3
271.13257	0.4
273.14777	0.4
275.12747	14.0
275.16241	1.3
276.13113	0.7
277.14401	0.4
279.15939	0.7
285.11624	0.3
285.14825	5.9
286.15189	0.3
287.12183	0.2
289.14359	0.6
293.17456	1.5
299.16397	0.4
303.15872	14.8
304.16241	0.5
317.17239	0.5
341.21066	9.3
342.21371	0.5
359.22116	100.0
360.22452	5.6
363.76022	0.2
377.18448	0.5
377.23178	10.2
378.23416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2316
Annotation	Myricoidiol
Peak:m/z	Relative Intensity
53.03926	0.3
53.36878	0.2
55.01843	0.6
55.05499	2.1
55.13993	0.2
57.03428	3.4
57.07065	5.8
65.03938	0.3
67.05501	3.3
69.03398	0.7
69.07056	15.1
70.07372	0.4
70.09227	1.0
71.04948	0.3
78.28996	0.2
79.05480	2.1
81.06622	0.3
81.07043	4.0
83.00864	0.4
83.01324	5.5
83.04926	0.6
83.08594	0.4
85.02880	0.2
85.06107	0.2
85.06525	2.6
91.05463	2.0
93.07027	4.7
95.04956	0.4
95.08593	1.7
97.06505	0.3
105.07026	2.0
106.42229	0.2
107.04906	0.5
107.08585	5.5
109.02874	0.3
109.05971	0.2
109.06514	1.8
109.10138	4.4
111.04391	0.6
111.11688	1.1
117.07011	1.0
119.04932	0.3
119.08534	0.8
121.02818	0.2
121.06497	1.7
121.10103	1.0
123.04435	0.3
123.08083	0.4
123.11682	3.0
127.03851	0.2
127.07510	0.7
129.06967	0.5
130.07747	0.7
131.08559	1.5
133.06447	0.5
133.10078	0.9
135.07053	0.4
135.08035	6.2
135.11678	7.2
136.11961	0.3
137.05995	1.1
137.09572	0.5
139.03865	1.4
142.07747	0.4
143.08498	0.6
145.06436	0.5
145.10100	3.4
147.04359	0.2
147.08044	0.5
149.05974	2.3
149.09589	2.2
151.11160	0.4
153.05463	2.9
153.06760	0.4
153.12723	0.6
154.98517	0.2
155.08466	1.0
157.10059	0.5
158.07179	0.9
159.08049	1.4
159.11661	0.2
161.05977	2.3
161.09612	0.3
162.06758	1.6
163.03772	0.2
163.07527	4.4
163.11166	2.3
164.07741	0.2
165.05482	1.7
165.09067	0.7
167.07039	0.3
171.07957	0.3
171.11649	0.2
173.05977	0.5
173.09589	3.8
174.06700	0.3
175.07535	1.1
175.11147	1.0
176.08286	2.5
177.05478	4.3
177.09076	13.1
179.10637	0.3
181.04871	0.2
181.08572	0.6
183.08090	0.3
185.09567	0.3
186.06633	0.3
187.07491	0.7
187.11096	0.3
188.08275	0.7
189.05377	0.5
189.09087	1.1
189.12703	0.2
190.06197	0.9
191.06989	2.7
191.10638	8.1
195.10210	0.4
199.07448	0.3
201.09099	4.6
202.09587	0.3
203.07112	1.3
203.10631	4.9
204.07788	2.1
205.05016	0.2
205.08609	1.0
205.12088	0.4
206.09175	0.3
207.10152	0.9
213.09001	0.3
214.06325	0.2
214.09843	0.4
215.07022	0.8
215.10526	1.0
217.08585	1.1
217.12167	0.7
218.09375	0.2
219.10132	74.1
220.10466	3.3
221.11665	1.6
225.09122	0.3
225.11147	2.5
227.07077	0.5
227.10593	0.3
228.07787	0.6
228.11397	0.3
229.08675	1.0
229.12170	0.8
230.09349	0.3
231.06589	0.3
231.10130	1.9
231.13771	0.6
233.11758	1.3
235.09705	0.3
235.13167	0.2
237.11179	100.0
238.11510	3.6
239.10674	0.6
241.08603	0.6
242.09283	1.2
243.10098	2.6
243.13800	0.4
244.10887	0.4
245.11739	0.4
245.15277	0.4
249.11201	4.1
250.11568	0.3
251.12750	1.3
255.10100	0.8
255.13910	0.3
256.11041	0.3
257.11673	10.5
258.12082	0.5
259.13293	1.2
261.11172	0.9
263.12784	0.5
270.12515	0.5
271.13193	0.9
273.14801	3.2
274.15253	0.3
275.12735	7.0
275.16315	1.2
276.13074	0.4
277.14355	0.5
285.14786	0.8
289.14374	0.7
291.15884	7.9
292.16165	0.6
303.15884	1.9
317.17279	0.3
341.21109	3.9
359.22116	30.3
360.22424	1.3
364.26340	0.2
377.23184	8.1
378.23370	0.3
391.53510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	Resolvin D2
Peak:m/z	Relative Intensity
52.50713	0.7
57.03426	1.7
61.59868	0.8
65.67495	0.7
69.91616	2.4
69.92040	2.6
75.55932	0.7
77.69038	0.7
80.75871	0.7
81.07039	1.4
83.01318	2.9
91.05453	2.2
93.07022	2.8
107.08544	3.0
107.48363	0.7
111.30084	0.7
119.41720	0.8
121.06477	1.1
121.10169	0.9
123.11693	3.0
135.08023	3.2
135.11685	4.4
139.03893	0.8
143.48416	0.9
145.10120	1.8
149.05930	1.5
149.09573	1.7
153.05376	1.0
155.08543	0.8
162.06743	0.7
163.07494	2.5
165.05415	1.2
169.93359	0.7
173.09633	2.3
176.08246	1.7
177.05489	5.3
177.09088	9.9
191.06868	1.0
191.10599	4.2
197.02052	1.0
201.09084	3.1
204.07809	3.2
219.10144	50.3
220.10521	3.7
225.11275	1.9
232.97894	0.8
237.11185	100.0
238.11484	2.9
341.21234	1.1
359.18124	1.3
359.22128	13.2
377.23340	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	377.2317
Annotation	Myricoidiol
Peak:m/z	Relative Intensity
55.01848	0.9
55.05494	3.1
57.03427	2.9
57.07065	7.0
65.03902	0.9
67.05495	5.8
69.03428	1.6
69.06704	1.2
69.07059	15.2
69.78185	5.6
69.78542	0.7
77.98927	0.7
79.05489	1.7
81.07037	2.5
83.01326	4.6
83.04955	1.5
85.06527	4.7
91.05471	1.7
93.07018	3.1
95.04973	1.5
95.08588	2.2
105.07001	1.7
107.08583	4.9
109.06500	2.3
109.10129	4.0
117.06960	1.1
119.08481	0.7
121.06506	2.0
121.10120	1.7
123.11643	4.0
127.07536	3.0
131.08537	1.1
133.10078	1.1
135.08041	6.6
135.11676	6.2
137.05988	1.1
139.03900	3.0
145.10106	4.1
149.06035	0.8
149.09573	2.0
153.05484	7.8
155.08563	1.1
159.08025	0.9
161.05962	1.5
163.07527	4.6
163.11171	1.4
165.05492	1.8
169.70683	0.8
173.09595	2.5
175.11176	0.8
176.08261	1.9
177.05510	6.9
177.09076	10.9
179.06975	0.8
181.04938	3.5
181.08585	4.1
189.09053	1.1
191.07011	4.1
191.10655	5.3
193.47983	0.8
195.10185	3.0
201.09094	3.9
203.07135	0.9
203.10635	1.9
204.07765	2.7
205.08595	1.1
219.10133	57.7
220.10504	2.2
225.11212	0.9
231.10158	2.9
233.11722	1.5
237.11183	46.3
238.11546	2.2
242.09497	1.4
243.10075	1.8
243.13687	0.8
249.11244	6.3
257.11734	6.8
259.13461	1.2
261.11206	2.4
271.13388	1.0
273.14655	1.1
275.12836	7.9
275.15976	1.6
277.14398	1.2
285.14807	1.5
289.14255	1.1
291.15747	4.2
303.15952	2.2
341.21088	6.8
359.17593	1.4
359.22104	28.2
360.22556	1.4
377.23178	100.0
378.23679	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	377.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05500	0.8
57.03429	3.2
57.07067	2.4
57.38691	0.2
65.03931	0.2
67.05492	1.7
67.81292	0.2
69.03423	0.5
69.07061	1.9
71.04987	0.3
71.52127	0.4
79.05479	1.3
81.03374	0.3
81.07042	7.2
82.07379	0.2
83.01328	4.1
83.04967	0.3
85.02901	0.3
85.06528	0.8
91.05459	2.1
93.07032	3.8
94.07365	0.2
95.04954	0.8
95.08596	2.2
96.08927	0.2
105.07014	1.5
107.08578	5.9
108.08878	0.2
109.02830	0.2
109.06497	0.7
109.10134	1.4
110.10447	0.2
111.04448	0.2
117.07001	0.9
119.08562	0.8
121.06496	1.4
121.10122	0.8
123.04408	0.4
123.11687	29.1
124.12029	1.5
129.07066	0.2
130.07756	0.4
131.08572	1.3
133.06467	0.3
133.10120	0.7
135.04375	0.2
135.08038	7.0
135.11670	6.8
136.08348	0.2
137.05978	0.5
137.09596	0.4
137.13426	0.2
139.03885	0.8
141.06993	0.2
143.08533	0.3
145.06477	0.5
145.10110	2.5
147.04362	0.3
147.07936	0.2
149.05936	1.3
149.09608	2.6
150.09995	0.2
151.03868	0.3
153.05452	1.5
155.08522	0.8
158.07266	1.0
159.08023	0.7
161.05965	1.2
161.09685	0.2
162.06705	1.5
162.09904	0.3
163.03882	0.3
163.07520	4.8
163.11159	2.1
164.07924	0.3
165.05479	1.6
171.08069	0.2
173.09612	3.4
175.07492	0.8
175.11192	0.2
176.08325	2.3
177.05643	0.9
177.09093	12.9
178.09477	0.5
181.08595	0.4
186.06697	0.2
189.05533	0.2
189.09070	0.3
190.06201	0.7
190.09489	0.4
191.07072	1.0
191.10660	7.3
192.10951	0.3
195.02910	0.7
195.12202	0.3
201.09094	4.8
201.10870	0.4
203.10599	0.3
204.07816	1.7
205.08487	0.6
207.10135	0.6
209.04466	0.2
215.10757	0.3
217.08603	1.6
218.08916	1.7
219.10146	67.2
220.10477	3.2
225.11221	1.8
231.31773	0.2
233.11705	0.6
235.09680	0.4
236.10005	1.1
237.11183	100.0
238.11519	4.6
243.10164	0.4
251.12770	0.5
257.11783	1.1
261.11407	0.2
269.07849	0.3
275.12723	0.7
275.16364	0.4
285.14673	0.5
293.16565	0.4
303.15863	0.5
341.21048	1.6
359.22095	24.8
360.22333	1.8
377.17569	0.7
377.22711	5.4
378.17627	0.2
378.22842	0.3
381.44113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2318
Annotation	Macrolactin H
Peak:m/z	Relative Intensity
50.86382	1.6
55.01862	3.6
55.05510	13.4
57.03431	3.8
57.07069	31.4
67.05486	7.0
69.03416	4.4
69.07065	21.4
71.04974	4.2
71.36842	1.5
71.37180	3.7
79.05476	7.8
81.07052	24.8
83.01335	9.3
83.04974	38.3
83.08622	2.2
85.06543	5.4
91.05479	8.7
93.07030	18.4
95.04920	3.7
95.08596	13.9
95.42950	1.5
99.04444	6.7
103.84214	1.5
105.07019	10.9
107.08578	20.3
109.02851	2.6
109.06496	6.4
109.10165	15.6
111.08052	2.9
117.06998	1.6
119.08548	7.0
121.06493	6.2
121.10112	11.2
123.04399	3.6
123.07222	1.6
123.08028	9.7
123.11683	15.3
127.03899	3.0
127.07541	5.9
129.06989	2.5
131.08559	5.0
133.10101	12.1
135.04387	4.1
135.07175	1.5
135.08035	14.0
135.11678	13.1
137.02272	1.8
137.05972	4.4
137.09579	5.2
137.13239	1.8
137.72453	1.6
139.03906	1.9
143.08525	2.8
145.10077	3.8
147.08051	4.9
149.06059	1.7
149.09634	7.2
151.03841	7.3
151.07587	2.5
153.05443	9.8
157.10097	2.0
159.08026	8.5
161.05931	2.6
161.09586	4.5
162.06761	10.4
163.07547	21.3
163.11147	1.5
165.05412	2.5
165.09073	9.1
165.90590	1.6
167.03375	2.3
169.04961	5.7
171.08049	2.8
173.09608	6.0
175.07465	7.4
175.11223	4.2
176.08189	2.3
177.05380	3.1
177.09087	27.1
177.12689	2.0
177.78479	1.6
179.03398	4.2
179.07002	2.2
185.09634	1.8
187.07462	8.5
189.09074	13.9
190.06143	2.1
191.07025	5.5
191.10637	6.6
193.08583	11.3
197.04402	3.1
199.07417	2.2
199.11148	2.0
201.09045	4.6
203.10617	5.0
204.07861	1.5
205.08583	92.1
206.09015	2.9
207.10115	6.5
211.09622	4.0
215.10657	2.1
215.14296	2.4
217.08588	17.9
217.12195	2.0
219.10147	43.1
220.10535	3.5
223.09628	100.0
224.09865	2.1
225.11200	2.2
229.12222	2.6
231.10150	6.7
233.11710	4.0
235.09633	39.7
236.10013	2.3
237.11172	38.3
238.11592	3.7
239.11757	3.5
243.10138	3.2
243.13722	2.1
245.11809	2.9
247.09554	1.6
249.11188	16.9
251.12740	4.3
253.10681	49.5
254.10799	2.3
257.11642	1.8
257.15320	1.7
259.13272	6.8
263.12814	2.4
269.11642	1.8
271.13251	3.2
273.14807	4.1
275.12927	2.2
275.16476	5.2
276.21115	1.7
277.14316	18.2
283.13342	3.2
285.14725	4.3
287.12674	2.3
289.14319	5.9
291.15826	4.0
293.17569	4.0
301.14264	4.4
303.15799	8.6
307.15317	8.3
317.13898	1.9
323.19940	3.8
325.17819	5.2
341.17300	3.9
341.21036	15.4
343.19000	85.4
344.19354	6.4
359.22141	70.7
360.22748	3.4
377.19431	37.7
377.23190	30.1
378.19537	2.6
378.23761	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2319
Annotation	Myricoidiol
Peak:m/z	Relative Intensity
55.01849	0.3
55.05478	0.7
56.79435	0.2
56.84714	0.3
57.03429	1.5
57.07072	2.5
65.03932	0.3
67.05502	1.9
69.03412	0.5
69.07066	1.1
69.77193	1.4
69.77603	0.5
79.05479	1.7
81.07045	6.1
83.01326	3.4
83.04944	0.4
85.00411	0.2
85.06513	0.7
87.36613	0.2
91.05469	1.5
93.06509	0.4
93.07035	5.3
95.04945	0.6
95.08592	2.1
105.07037	1.2
107.04916	0.3
107.08572	5.3
109.06468	1.1
109.10123	1.6
111.04425	0.4
117.06953	0.7
119.04928	0.2
119.08544	0.6
121.06508	1.6
121.10094	0.6
123.11693	21.6
124.12022	0.5
127.07519	0.6
128.52394	0.2
130.07736	0.4
131.08549	0.9
133.10138	0.4
135.08051	2.8
135.11676	7.2
137.05923	0.6
139.03865	1.0
145.10103	2.0
149.05960	1.7
149.09587	1.8
153.05466	2.2
155.08496	0.7
158.07234	0.5
159.07961	0.4
161.05864	0.6
162.06679	0.5
163.07495	3.0
163.11192	1.2
165.05444	0.8
167.06985	0.3
169.04890	0.3
173.09601	2.6
175.07539	0.3
176.08315	1.0
177.04231	0.2
177.05452	8.8
177.09082	10.6
178.09366	0.3
181.04930	1.0
181.08598	0.5
187.07542	0.3
190.06175	0.4
190.09752	0.2
191.07059	1.5
191.10635	4.8
195.06593	0.6
201.09113	3.5
203.10655	0.3
204.07796	3.5
205.08556	0.8
205.12148	0.3
206.09372	0.5
207.10152	0.9
215.10648	0.4
219.10143	52.5
220.10397	1.7
225.11179	2.4
229.12192	0.3
231.10107	0.2
233.11699	2.6
237.11185	100.0
238.11525	3.5
243.10088	0.4
249.11130	0.3
251.12764	3.9
252.09840	0.2
257.11743	2.2
261.11148	0.3
271.13260	0.3
275.12769	4.4
275.15863	0.4
285.14819	1.0
303.15848	2.7
310.54846	0.2
341.21075	2.9
359.22134	34.6
360.22418	1.9
377.23044	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	377.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
55.05486	0.4
57.03407	0.3
57.07064	1.1
65.03903	0.1
67.05470	0.4
69.03399	0.2
69.07043	0.6
69.73444	0.9
71.04939	0.2
78.21457	0.1
79.05474	0.8
81.07043	1.6
83.01318	2.2
83.04969	0.1
85.02883	0.2
85.06520	0.6
91.05460	1.0
93.07026	2.2
95.04950	0.3
95.08584	1.3
98.43115	0.1
105.07016	0.9
107.04913	0.3
107.08574	2.8
109.02806	0.2
109.06487	0.9
109.10130	0.6
111.04436	0.1
117.06966	0.5
119.08531	0.4
121.02792	0.2
121.06497	1.3
121.10126	0.4
123.11686	5.6
127.03835	0.2
130.07715	0.3
131.04956	0.1
131.08524	0.5
133.06372	0.1
133.10127	0.2
133.79137	0.1
135.04352	0.2
135.08026	2.2
135.11673	3.8
137.05927	0.3
139.03903	0.7
143.08507	0.2
145.06421	0.1
145.10101	1.8
147.08066	0.1
149.05962	1.4
149.09567	0.8
153.05441	2.7
153.12857	0.1
155.08516	0.7
157.51657	0.1
158.07253	0.3
159.08000	0.3
161.05943	0.3
162.06720	0.4
163.07513	1.7
163.11189	0.9
165.05464	0.7
169.04927	0.4
173.09601	1.9
174.10010	0.2
176.08253	0.7
177.05446	10.2
177.09070	8.5
177.91541	0.1
178.05756	0.2
178.09460	0.3
181.04922	0.7
181.08572	0.2
189.05452	0.2
191.06940	0.2
191.10628	2.3
191.12241	0.2
195.02864	0.2
195.06487	0.6
201.09084	2.5
202.09575	0.1
203.07024	0.2
204.07788	3.8
207.10220	0.2
219.10130	44.0
220.10483	1.5
225.11163	1.6
233.11711	0.2
237.11174	100.0
238.11508	3.3
251.12576	0.3
257.11618	0.3
261.11343	0.2
275.12711	0.4
275.16437	0.3
293.17465	0.3
303.15836	0.3
341.21017	0.3
359.22116	14.5
360.22452	0.9
377.23160	8.9
378.23190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2318
Annotation	Myricoidiol
Peak:m/z	Relative Intensity
50.37885	0.2
53.03930	0.2
55.01862	0.3
55.05481	0.4
55.40068	0.2
57.03428	3.0
57.07073	1.8
58.07895	0.2
67.05476	0.7
69.03407	0.4
69.07034	0.6
69.80383	1.2
69.80791	0.4
79.05470	1.1
81.07055	2.1
83.00843	0.3
83.01324	3.7
85.02889	0.3
85.06516	0.5
89.57452	0.2
91.05465	1.4
93.07022	3.1
95.04931	0.6
95.08566	0.6
98.09566	0.2
105.07010	1.0
107.04945	0.2
107.08577	4.3
109.02823	0.2
109.06491	0.7
109.10118	0.8
111.04359	0.2
117.07010	1.0
119.08564	0.5
120.74546	0.2
121.06466	0.8
121.10101	0.6
123.08063	0.3
123.11690	7.1
124.12027	0.3
130.07816	0.3
131.04900	0.2
131.08566	1.0
133.06485	0.2
133.10117	0.5
135.08034	6.0
135.11676	5.3
136.08386	0.2
136.11992	0.2
137.05931	0.7
137.09547	0.3
139.03897	1.3
145.06453	0.2
145.10100	2.9
149.05965	1.3
149.09590	2.2
153.05438	2.8
153.12704	0.2
155.08513	0.7
158.07237	0.8
159.07997	0.5
161.05948	0.7
162.06729	1.5
163.07516	4.2
163.11159	2.4
164.07922	0.2
165.05501	1.1
173.09584	3.1
176.08328	2.2
177.05623	0.9
177.09079	13.0
178.09436	0.4
181.08521	0.3
186.06677	0.2
190.06206	0.8
191.06987	0.7
191.10631	7.5
192.10976	0.3
195.10178	0.2
201.09082	5.5
202.09401	0.3
204.07759	1.2
207.10167	0.4
219.10132	71.3
220.10468	3.0
225.11157	1.5
231.10240	0.2
233.11633	0.3
237.11177	100.0
238.11543	3.8
243.09920	0.3
249.11226	0.2
257.11575	0.4
275.12656	0.5
275.16446	0.4
293.17548	0.5
303.15692	0.2
319.46927	0.2
341.21069	1.0
350.87082	0.2
359.22104	17.1
360.22528	1.2
377.23184	11.0
378.23468	0.6
386.08057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2318
Annotation	Myricoidiol
Peak:m/z	Relative Intensity
53.03936	0.8
55.01876	0.9
55.05503	2.6
57.03429	3.1
57.07066	9.4
58.07395	0.3
59.04992	0.5
65.03933	0.3
65.32713	0.2
66.29185	0.2
67.05495	2.1
67.96573	0.2
68.99800	0.3
69.03422	1.0
69.07059	9.1
71.06729	0.4
71.07065	0.5
74.09686	0.3
77.03931	0.3
77.56886	0.2
79.05470	2.1
81.03412	2.3
81.07034	3.5
82.07365	0.2
83.01331	4.6
83.04974	0.5
83.08610	0.8
85.02920	0.2
85.06538	2.2
85.26439	0.2
88.83361	0.3
89.06035	0.4
91.05450	2.2
93.07028	5.6
95.04952	1.3
95.08590	1.8
97.02867	0.2
97.06519	1.3
99.00816	0.3
105.03364	2.4
105.07008	2.2
107.04932	0.7
107.08571	6.0
108.08927	0.2
109.02864	4.7
109.06498	1.4
109.10146	2.5
111.04410	0.2
111.11695	0.8
115.05497	0.3
117.07026	0.9
119.08576	1.2
121.02870	0.4
121.06499	2.2
121.10123	1.6
123.04403	0.7
123.08047	0.3
123.11687	5.1
125.05968	0.3
127.03911	0.5
127.07551	0.4
128.63065	0.2
129.06978	0.6
130.07774	0.6
131.08568	1.3
133.06497	0.5
133.10092	0.8
135.04411	0.4
135.08038	5.3
135.11667	8.1
137.05962	1.2
139.03889	1.1
141.01784	0.5
141.07001	0.3
142.07759	0.3
145.06494	0.6
145.10117	2.7
147.08046	0.7
149.02374	0.7
149.05986	1.8
149.09612	2.0
153.05437	9.3
153.12639	0.3
155.08559	0.9
157.06313	0.3
157.10049	0.4
158.07239	0.9
159.08020	1.1
159.11678	0.3
159.58249	0.2
161.05963	1.3
162.06728	1.5
163.03961	0.6
163.07527	4.5
163.11137	1.7
165.01790	0.5
165.05447	2.6
165.09126	0.3
166.05779	0.5
167.03404	0.5
167.07021	0.3
169.01125	0.2
169.04967	0.4
169.08745	0.2
173.09590	3.1
175.07506	0.9
175.11188	0.3
176.08322	1.8
177.01811	3.5
177.05467	5.1
177.09079	12.6
178.02164	0.5
178.09460	0.5
179.03418	0.5
179.07043	0.3
181.04903	1.8
181.08568	0.4
182.30101	0.3
183.02835	0.5
183.08006	0.3
187.11151	0.3
189.05435	0.5
189.09013	0.6
190.06218	0.9
191.03358	2.9
191.07011	3.3
191.10638	7.4
192.10959	0.4
193.05022	0.3
195.02861	26.9
195.06541	0.7
195.12399	0.2
196.03253	1.3
201.09087	4.3
203.06831	0.4
203.10645	1.5
204.07808	2.6
204.10970	0.3
205.08531	1.7
206.09293	0.3
207.10106	0.7
209.04422	3.4
215.03389	0.5
215.10609	0.6
217.04956	0.4
217.08568	0.4
218.04608	0.3
219.10132	72.6
220.10480	3.4
221.11678	1.0
223.09697	0.5
225.11143	2.4
227.10620	0.3
228.07558	0.3
229.08427	0.4
229.12325	0.3
231.10056	0.5
233.11681	1.3
237.11174	100.0
238.11525	5.8
241.08511	0.3
242.09344	0.4
243.06508	1.4
243.10147	0.9
243.13799	0.6
245.11494	0.2
247.13365	0.4
249.11084	1.9
251.12692	1.3
255.06491	14.1
256.06790	1.0
257.08209	0.5
257.11655	3.3
258.12180	0.5
259.13251	0.9
261.07532	0.6
269.08032	2.2
270.08627	0.2
271.13174	0.5
273.14758	0.3
275.12711	3.5
275.16357	2.0
276.16797	0.2
277.14282	0.9
285.14816	0.3
289.14267	0.9
289.17136	0.4
291.15848	1.1
293.08023	0.4
293.17416	0.6
295.09656	0.8
299.12772	0.8
303.15924	1.4
306.17819	0.2
317.13815	0.5
321.11066	0.7
341.17422	0.4
341.21085	2.8
359.22119	19.5
360.22446	1.6
377.17374	15.4
377.23071	18.3
378.18085	2.1
378.22607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.0
57.03437	3.5
57.07061	3.1
67.05492	26.9
69.03410	3.6
69.07054	18.2
70.08279	14.6
71.04975	6.7
79.05498	14.8
81.03396	4.4
81.07043	66.4
83.04965	5.5
83.08624	17.1
85.02888	6.2
85.06528	8.6
91.05466	16.8
93.07033	23.2
95.04933	4.2
95.08599	73.6
97.06520	15.9
97.10172	9.9
99.08061	7.8
101.06013	3.0
105.07008	22.7
107.08574	10.8
109.06503	4.9
109.10126	5.9
111.08050	6.1
119.08576	38.8
121.10120	13.3
123.08024	7.9
133.10109	22.9
135.08020	2.8
135.11679	18.5
137.09654	3.7
137.13235	19.5
145.10088	2.6
151.07466	3.8
155.08653	3.2
161.13240	91.7
161.75262	2.3
162.13541	3.2
173.09557	14.0
179.14281	100.0
197.15376	29.2
201.09091	3.0
213.07466	5.8
215.16443	3.4
237.11243	3.7
287.01898	2.9
289.14349	2.9
323.18771	4.1
341.17432	3.7
377.19437	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	377.1952
Annotation	Rabdosin A
Peak:m/z	Relative Intensity
55.05497	4.8
67.05487	3.0
69.03424	3.3
69.07068	1.6
69.62818	3.9
69.63225	9.0
71.04697	1.2
71.04987	14.3
75.67390	1.4
79.05482	3.5
81.07052	2.0
82.14184	1.3
83.04962	8.2
91.05473	5.4
93.07039	7.0
95.08578	5.8
98.20752	3.6
99.04436	4.7
105.07021	53.8
105.07731	2.6
106.07370	1.6
107.08598	11.2
109.06516	3.8
110.90678	1.2
111.04410	10.6
117.07024	3.2
119.08558	6.5
121.10134	5.3
123.04455	2.5
123.08018	3.6
123.70825	1.6
127.03886	4.1
129.05464	2.9
130.07840	2.1
131.08546	5.4
139.07559	2.8
143.08549	5.3
145.06468	1.8
145.10104	39.9
146.10608	1.7
147.11668	7.1
149.05956	9.5
151.07533	13.3
153.09175	2.1
157.10094	3.4
159.08018	1.8
159.11711	1.8
163.11156	2.5
165.28247	1.6
169.08594	16.8
171.07970	1.9
171.11636	1.7
173.09593	9.6
175.07492	1.7
181.08640	7.4
185.09729	1.9
185.13251	1.7
191.10646	34.2
193.08545	5.1
195.10129	10.6
195.11676	2.6
197.13246	4.3
201.09084	13.3
203.10628	2.7
209.11624	7.0
211.11185	3.5
215.14330	1.7
225.12735	3.9
227.10646	2.2
227.14275	2.9
228.07761	1.5
229.12119	3.0
239.09154	6.3
243.13782	46.4
244.14256	3.4
245.15234	1.9
247.13228	1.4
250.88742	1.4
257.11679	1.8
258.12567	1.8
261.14902	4.9
271.13220	16.0
272.13992	2.9
273.14853	2.3
285.15106	2.1
289.14316	5.8
299.16345	5.8
313.17920	68.2
314.18356	5.2
315.19495	47.8
316.19830	2.8
331.19003	4.5
341.17499	4.6
359.18484	100.0
360.18857	2.1
377.19528	90.7
378.19873	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	377.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67947	1.4
55.01868	1.4
55.05505	10.3
57.03427	3.3
57.07070	25.9
59.94049	1.3
63.21618	1.1
67.05496	7.8
69.03407	1.3
69.07059	16.5
69.46066	3.6
69.46488	10.8
71.04988	4.3
71.08599	1.4
73.44136	1.3
79.05488	4.8
81.07053	15.5
83.01321	8.7
83.04970	28.7
83.08635	2.0
85.06539	5.2
91.05463	8.1
93.07031	12.2
95.04953	3.8
95.08590	14.9
99.04442	5.3
104.71483	1.1
105.03452	1.5
105.07035	10.5
107.08587	15.6
109.02875	3.3
109.06509	7.1
109.10119	11.1
109.10673	1.0
111.08095	2.5
113.05962	1.8
115.05441	1.6
117.06990	2.7
119.08569	5.2
121.06487	6.2
121.10130	13.5
123.04456	3.8
123.08059	9.8
123.11683	12.2
125.02443	1.3
127.03918	1.4
127.07552	5.3
128.06223	1.5
131.08556	5.9
133.06473	1.9
133.10101	12.1
135.04401	3.4
135.08037	15.4
135.11673	8.1
137.02345	1.4
137.05940	2.1
137.09554	1.8
138.94919	1.2
143.08566	2.5
145.06465	1.7
145.10130	4.2
147.08058	3.9
147.11702	1.8
149.05948	3.0
149.09599	9.7
151.03931	4.5
151.07600	3.1
153.05466	8.8
159.08035	7.5
159.92896	1.3
161.05875	1.4
161.09570	4.8
162.06749	6.8
163.07529	18.8
165.05492	1.7
165.09128	4.8
167.07014	1.3
169.04973	5.0
171.07970	2.0
173.05952	1.4
173.09648	4.6
175.07579	5.6
175.11197	4.1
177.05540	1.5
177.09109	24.5
177.12653	1.8
179.03375	5.4
181.08618	2.8
184.00932	1.2
185.09608	2.0
187.07478	6.0
189.09102	8.4
190.06244	1.3
191.07004	6.8
191.10646	4.1
193.08614	7.9
195.06514	1.6
197.04475	2.0
199.07538	2.2
201.09065	3.2
203.10675	4.9
205.08575	98.3
206.08958	3.4
207.10146	4.1
211.09647	3.1
213.09190	1.8
215.06931	1.5
215.10738	1.8
215.14197	1.3
217.08603	12.8
217.12210	2.8
219.10136	25.4
220.10489	3.3
221.08049	1.7
221.10611	1.7
223.09627	100.0
224.09990	2.9
225.11157	1.5
227.10786	1.6
229.08580	2.0
229.12299	2.4
231.10155	5.3
231.13759	1.4
233.11790	2.7
235.09634	30.6
237.11185	36.6
238.11494	1.9
239.11833	3.0
243.10175	2.1
243.13753	1.6
245.11682	2.4
247.09555	1.3
249.11223	15.7
251.12823	3.2
253.10657	40.7
255.06490	1.7
257.11676	2.2
257.15283	1.5
259.13281	5.3
261.15015	2.1
263.12695	1.9
269.11700	2.6
271.13168	2.4
273.14886	4.7
275.12918	1.7
275.16428	3.1
277.14328	11.8
283.13239	2.7
285.14804	2.9
287.12619	1.4
289.14151	6.1
291.15936	3.2
293.17526	3.5
301.14392	4.4
303.15906	7.4
307.15195	9.0
323.16342	1.5
325.18082	5.1
331.22873	1.4
341.17328	3.4
341.21039	10.2
343.19003	81.9
344.19318	4.0
359.18576	4.9
359.22159	56.8
360.19031	2.1
377.19489	42.7
377.23264	21.2
378.19675	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	377.1952
Annotation	Rabdosin A
Peak:m/z	Relative Intensity
53.03932	1.4
55.05494	1.7
67.05494	2.6
69.03426	2.7
69.71198	1.6
69.71420	5.4
69.71848	5.4
71.04617	1.2
71.04984	20.3
79.05473	2.8
81.07053	2.9
83.01338	2.2
83.04971	2.7
91.05473	5.6
93.07037	9.7
95.08591	2.5
99.04429	6.3
105.07018	35.5
107.08602	5.9
109.06539	2.8
109.10110	1.2
111.04424	19.4
117.07014	2.4
119.08588	4.4
121.06515	2.7
121.10125	7.0
123.08031	2.4
130.07831	1.3
131.08577	5.4
133.10104	3.5
135.08043	3.4
143.08569	3.3
145.10104	31.3
147.11678	3.9
149.05928	6.2
149.09680	2.4
151.07565	3.6
155.08583	2.5
157.10135	2.6
159.08029	2.5
159.11615	1.9
163.07494	2.9
163.11143	1.7
167.08577	1.6
169.04973	3.2
169.08597	5.7
169.10023	1.9
171.08078	2.2
173.09665	7.7
173.10899	1.3
177.09097	5.6
181.08623	2.4
182.10951	2.4
187.07495	3.4
187.14873	1.2
189.09076	1.8
189.12674	2.9
191.10651	22.2
193.08661	1.5
195.10101	2.8
197.13187	7.6
201.09070	18.4
203.10632	10.1
205.08574	35.2
209.11656	2.5
211.11151	4.4
223.09601	44.5
225.12767	3.2
227.10599	3.6
231.10107	3.1
239.09042	2.4
241.12186	4.1
243.13773	100.0
244.14149	1.9
245.15312	3.1
249.11134	1.6
259.13239	1.9
261.14847	12.9
269.11658	5.0
271.13287	6.9
273.14816	1.9
283.13358	1.8
289.14249	14.3
299.16440	2.4
307.15714	2.0
313.17926	55.9
314.18402	2.0
315.19461	17.1
317.17340	1.6
325.17892	3.6
331.18964	2.1
341.17661	1.7
343.18970	43.9
344.19193	2.0
359.18500	40.7
377.19513	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1952
Annotation	Rabdosin A
Peak:m/z	Relative Intensity
55.05495	5.2
55.31946	1.8
57.21661	1.9
60.04020	1.9
67.05485	4.5
69.67416	15.6
71.04978	27.4
75.46640	2.0
79.05466	4.7
81.07021	5.4
83.01315	2.7
83.04956	10.5
91.05447	8.4
93.07019	7.7
94.87573	2.0
95.08611	4.8
99.04430	7.7
103.06721	2.0
104.58520	1.8
105.07012	61.0
105.21211	1.9
107.08556	8.2
109.06511	3.3
111.04427	19.0
113.05954	2.4
117.06985	5.7
119.08579	7.8
121.06507	2.7
121.10122	7.6
123.04449	2.0
123.08023	4.1
125.05914	4.7
127.03905	3.7
129.05453	2.5
129.07060	2.4
130.07747	3.2
131.08583	4.3
135.11703	2.7
143.08539	4.5
145.10101	54.7
145.11241	3.5
147.11656	9.1
149.05957	12.1
151.07513	6.5
155.08524	5.3
157.10085	7.4
159.08034	4.4
159.11679	2.6
167.57962	2.1
169.04956	4.5
169.08607	15.1
169.09933	3.6
171.08066	3.3
171.11679	2.3
173.09573	14.9
177.08893	1.9
181.08569	7.5
183.11754	2.0
185.09454	2.4
185.13167	2.7
187.07381	2.3
189.12773	2.7
191.10634	51.4
193.08519	3.2
195.10089	6.9
197.13228	11.9
201.09091	30.4
203.10657	4.8
209.11705	7.4
211.11174	6.7
214.13362	2.7
215.14270	5.4
219.10107	7.2
221.11656	2.5
225.12646	6.7
227.10637	4.6
237.11134	10.6
239.09088	5.4
243.13768	100.0
258.12457	2.4
259.13272	3.5
261.14911	9.8
271.13181	16.2
272.13718	2.9
273.14880	3.3
289.14297	19.0
299.16281	6.7
313.17938	84.0
314.18408	4.0
315.16135	3.6
315.19504	41.6
331.18939	5.6
341.17401	6.0
359.18433	86.7
377.19540	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1956
Annotation	Peucephyllin
Peak:m/z	Relative Intensity
50.94667	0.3
53.03931	0.4
55.05502	0.7
65.03908	0.5
67.01848	0.7
67.05490	2.2
68.99773	0.3
69.03400	1.4
69.07050	0.6
71.04621	0.4
71.04987	5.1
71.09245	0.6
71.09582	0.4
79.05495	1.5
81.07043	2.4
83.01327	3.5
83.04983	0.3
83.08603	0.3
85.02913	0.7
85.06503	0.9
91.05470	3.9
92.53426	0.3
93.07034	7.1
95.04959	0.7
95.08590	5.7
97.02877	0.4
97.06525	0.5
99.04399	0.3
105.06333	0.6
105.07008	7.6
107.04978	0.3
107.08581	14.0
109.02845	0.4
109.06510	1.0
109.10130	2.4
113.05962	0.3
115.03918	0.6
116.47266	0.3
117.07002	0.5
119.04853	0.3
119.08550	2.2
121.10127	27.7
122.10423	0.4
123.04411	2.3
123.08029	0.6
123.11689	0.4
125.02357	0.4
125.05976	0.3
128.06148	0.4
129.06984	0.3
131.08556	1.6
133.06439	0.3
133.10114	13.7
135.07999	0.5
135.11656	1.1
137.05971	0.7
141.01813	0.4
141.05418	1.1
143.03384	0.7
143.08539	0.4
145.06435	1.3
145.10106	4.0
147.11693	3.0
149.05994	0.3
149.09593	0.4
151.03859	2.6
151.07425	0.4
151.11145	1.3
153.05466	1.9
155.03366	0.7
155.08534	0.9
157.10077	1.2
159.08028	1.0
159.11681	1.0
161.09682	0.4
163.03880	0.7
163.07584	0.4
163.11153	0.7
165.05415	0.5
167.03297	0.3
167.07008	0.6
169.04939	100.0
170.05283	2.0
171.08055	0.4
173.09598	17.8
174.09930	0.6
175.07555	0.4
175.11162	11.7
177.05457	3.2
177.09088	0.3
179.07028	0.5
181.04893	0.6
182.10838	0.6
183.06509	1.9
183.11653	0.4
185.09604	0.5
187.07524	0.9
187.11189	0.9
191.07002	2.2
191.10559	0.5
191.78271	0.3
193.04938	1.4
195.06479	4.1
197.08061	0.8
197.09645	0.4
197.13239	2.8
201.09061	2.4
201.12770	0.3
203.06761	0.3
205.08527	1.0
207.06535	0.8
207.11761	1.0
209.08012	1.7
211.07513	0.8
213.09100	0.6
215.06886	0.3
215.10655	1.0
215.14342	0.6
217.08611	0.4
219.10188	0.8
221.07918	0.7
225.09244	0.6
225.12735	3.4
227.10667	0.4
228.07742	0.3
229.08536	5.2
229.12279	0.8
231.10167	0.7
233.08089	3.6
233.11685	0.4
235.11160	0.4
237.11176	0.8
238.09811	0.4
239.09090	6.7
242.09309	0.4
243.10091	1.0
243.13811	3.9
247.09636	13.5
248.10100	0.5
253.12210	4.3
257.11725	0.4
261.11212	1.6
261.14642	0.8
265.10602	0.5
271.13254	15.6
272.13556	0.3
289.14304	63.2
290.14682	2.3
291.14948	0.4
301.14313	0.7
307.15353	97.2
308.12329	0.4
308.15717	3.2
313.17914	0.8
317.13782	1.1
317.17188	0.4
341.17163	0.6
359.18442	16.2
360.18936	0.9
377.19531	79.0
378.19843	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1952
Annotation	Glaucogenin A
Peak:m/z	Relative Intensity
51.01472	0.6
53.03928	1.7
55.01850	2.5
55.05503	10.2
56.74558	0.7
57.03439	1.6
57.07065	3.5
65.03938	1.3
67.05148	1.4
67.05495	20.7
69.03413	4.6
69.07052	7.8
69.54713	7.1
71.04983	8.0
79.05478	5.3
81.03403	3.6
81.07050	12.3
83.01331	10.6
83.04956	2.1
83.08612	7.5
85.02876	0.8
85.06527	3.4
89.92079	0.8
91.05449	6.0
93.07024	19.8
95.04948	5.7
95.08597	10.1
97.06522	2.4
97.10130	0.8
98.21531	1.5
99.04416	3.6
105.03368	2.8
105.07009	10.5
107.04943	1.6
107.07838	1.0
107.08572	16.8
109.02869	7.1
109.06489	6.3
109.10136	42.1
110.10472	1.0
111.04416	1.3
111.08045	4.9
113.05988	2.4
117.07005	3.0
119.04923	1.0
119.08555	4.8
121.06503	6.7
121.10120	8.9
123.00768	1.5
123.04435	1.5
123.08022	3.5
123.11686	3.2
125.02352	1.8
125.09624	2.1
127.07532	4.8
129.07018	2.1
130.07748	1.2
131.08568	5.4
133.06471	1.7
133.10135	5.9
135.04407	1.6
135.08028	8.3
135.11671	6.6
137.02353	1.3
137.05946	2.0
137.09581	4.8
139.03879	1.9
141.05502	0.9
143.08495	1.7
145.06483	1.2
145.10109	11.5
147.08034	1.6
147.11650	2.9
149.05962	4.4
149.09601	6.9
151.03905	1.1
151.07535	4.0
153.05429	15.0
157.10121	2.2
159.08066	4.9
159.11644	1.6
161.05952	1.9
161.09621	2.2
161.13257	0.8
162.06691	3.7
163.03935	1.5
163.07530	9.0
163.11166	9.6
165.05464	1.9
167.03343	1.5
167.07034	2.0
169.08665	1.1
171.08058	2.4
173.06070	1.0
173.09622	6.3
175.07513	3.7
175.11125	3.7
176.08217	1.3
177.01820	7.1
177.05444	8.2
177.09097	17.3
177.12724	1.2
179.03365	9.0
179.07095	3.9
181.04965	4.0
181.08539	1.9
183.11671	1.0
185.09605	2.4
187.07491	4.8
187.11150	2.8
189.09085	3.4
190.06192	1.4
191.06996	23.1
191.10623	9.5
192.07829	1.4
193.04906	1.4
193.08614	2.8
195.02875	33.6
195.06549	3.1
196.03128	0.9
197.04431	1.4
200.08279	1.1
201.09180	4.8
201.12721	1.8
203.07013	2.3
203.10625	6.1
204.07813	1.7
205.05142	2.2
205.08571	55.9
205.12187	3.7
206.08868	1.3
207.06566	3.2
207.10088	1.5
209.11720	2.0
211.11246	0.9
213.09091	2.2
215.06999	1.9
215.10643	4.1
217.08583	3.1
218.09369	1.4
219.06564	2.9
219.10133	25.5
219.13841	2.4
221.08028	6.5
221.11469	1.1
221.13504	0.8
221.15347	1.6
223.09610	42.4
224.09891	0.9
225.09099	1.3
225.10970	1.4
225.12883	1.4
227.10645	1.8
229.08514	3.9
229.12187	2.4
230.09366	1.1
231.06462	1.0
231.10110	7.6
231.13713	1.0
233.08089	1.2
233.11668	12.5
235.09518	1.1
237.11162	26.7
241.12161	2.3
242.09415	1.4
243.10161	7.5
243.13826	2.9
245.11731	2.0
247.09583	5.5
247.13150	5.6
249.07491	2.1
249.11169	15.4
250.11629	0.9
251.09161	4.0
251.12740	24.8
253.12238	1.9
255.06487	24.2
255.13748	1.8
256.06833	1.1
256.11151	0.8
257.07980	0.9
257.11725	5.4
259.09726	3.7
259.13324	1.1
261.11142	5.1
261.14920	1.4
263.12820	1.8
265.14368	2.1
269.11707	3.0
270.12430	1.0
271.13245	9.7
275.12790	6.8
277.10715	1.6
281.11722	2.8
283.13309	5.4
285.14661	3.6
287.12759	2.6
289.14279	15.2
295.17056	1.6
299.12772	4.0
299.16357	2.6
301.14316	5.4
303.15869	10.0
307.15338	78.3
308.15652	2.5
313.17749	4.0
317.13766	5.3
317.17441	4.2
318.96570	0.9
323.16422	4.2
324.17151	1.3
325.18018	4.1
327.15717	1.6
331.19058	2.0
341.17477	14.1
341.21091	1.5
342.18106	2.1
343.18997	30.7
344.19571	2.2
359.18445	35.8
359.22232	20.0
360.18927	6.1
377.19455	100.0
377.23474	20.2
378.19989	4.5
384.54602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1953
Annotation	Rabdosin A
Peak:m/z	Relative Intensity
50.20996	1.6
54.84604	1.6
55.05510	3.5
57.07092	1.6
67.05503	2.6
69.03419	3.0
71.00217	4.9
71.00581	1.8
71.04985	15.6
79.05499	5.6
81.07069	5.7
83.01363	3.1
83.04990	6.7
91.05489	6.4
93.07067	7.5
95.04976	2.4
95.08615	5.3
99.04470	4.0
105.03423	6.5
105.07011	51.7
107.08578	15.6
107.65617	1.7
109.06523	4.1
111.04425	10.7
113.19101	1.8
117.07044	1.8
119.08617	5.4
121.06516	3.5
121.10130	9.5
123.08094	2.9
123.11752	4.5
124.29176	1.8
125.06023	1.7
125.09695	1.9
127.03941	2.1
127.62329	1.7
129.05487	3.3
130.07768	2.8
131.08585	5.4
133.10146	3.7
135.08070	1.7
143.08597	3.6
145.08954	3.4
145.10085	32.8
147.11765	5.5
149.06024	6.8
151.07581	7.2
155.08450	2.0
157.10135	5.4
159.11711	2.5
169.08571	17.5
173.09618	9.9
175.11264	1.8
179.03383	15.7
181.08664	7.7
185.13301	3.6
189.12772	2.1
191.07103	2.2
191.10631	27.7
193.08586	7.8
195.06560	2.4
195.10223	6.0
197.04523	7.1
197.13327	3.0
199.14687	1.7
201.09123	8.7
203.10686	10.0
209.11671	8.5
211.11299	3.1
213.12683	2.1
215.14314	2.6
219.06480	2.4
219.10184	3.2
221.08307	2.2
225.12730	3.1
227.10736	2.1
239.09242	7.3
243.13760	48.2
245.15549	2.1
257.08029	11.3
258.12631	2.0
261.14798	19.2
270.93845	1.7
271.13214	15.8
272.14136	3.5
273.15027	4.9
289.14285	9.4
299.16525	6.7
307.15427	3.7
313.17932	62.7
314.18604	4.7
315.19482	50.7
316.20050	2.0
331.19119	4.1
359.18430	88.2
360.18930	2.0
377.19681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.3
56.05030	0.9
58.72493	0.8
61.02923	0.8
67.05497	5.1
69.03416	3.2
69.07056	5.5
69.70758	7.0
70.06569	5.9
71.04964	1.8
72.45210	0.7
79.05492	2.2
81.03389	0.8
81.07047	3.4
83.04960	1.1
84.08122	1.0
85.02892	2.5
85.06508	1.2
91.05473	2.4
93.07027	4.0
95.04973	1.5
95.08585	5.8
96.04498	1.3
97.02898	1.0
97.06509	1.2
98.20730	1.5
99.04404	0.7
99.05574	2.6
105.07017	1.8
107.08589	2.8
109.10144	4.7
110.09656	1.0
111.05545	2.5
119.08574	2.1
121.02913	1.0
121.06487	1.7
123.04453	1.4
123.08061	0.9
125.07149	0.9
125.09637	1.0
127.03871	0.9
127.08634	1.4
131.00011	1.6
135.08040	2.9
136.11194	5.5
137.02324	1.9
137.05975	1.7
137.09584	2.2
139.03885	1.6
141.99210	0.9
145.10068	1.0
147.04442	0.9
151.07501	1.2
151.12222	1.3
153.09015	1.0
154.12233	4.0
155.08104	1.2
163.06320	0.8
163.07486	3.9
172.08662	3.0
173.09610	1.0
179.07065	1.5
179.10338	1.5
179.11780	21.3
179.86472	0.8
181.08557	6.5
185.01230	0.8
197.12833	100.0
198.06505	0.9
198.13145	1.6
199.09639	5.6
203.02109	1.9
215.03250	1.2
215.13889	74.7
216.07568	1.7
216.14069	2.2
231.02888	1.4
243.08720	7.4
313.18042	1.1
341.06424	1.5
359.07465	2.2
359.18292	1.1
377.07437	4.2
377.14511	10.9
377.68274	0.8
379.93246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.1
51.18085	0.1
52.25812	0.1
53.03934	1.2
55.01846	0.6
55.05502	0.2
57.07049	0.2
59.56150	0.1
60.69643	0.1
63.02364	0.1
65.03940	0.1
67.01865	0.2
67.05491	0.7
67.15598	0.1
68.99791	0.2
69.07054	0.3
70.56722	0.2
71.82700	0.1
71.98517	0.1
77.03539	0.1
77.03949	0.2
79.01843	0.1
79.05470	0.3
81.03402	7.6
81.07040	1.5
83.01356	0.1
91.05478	0.4
93.03387	0.1
93.07024	0.7
94.06563	0.2
94.18229	0.1
95.01320	0.2
95.04962	0.4
95.08582	0.4
99.00784	0.7
105.03372	4.3
105.07013	0.4
107.04886	0.1
107.08559	0.8
108.05447	0.1
109.02859	16.0
109.10145	1.0
110.03198	0.3
111.04375	0.1
115.05457	0.2
119.08598	0.2
121.02840	1.2
121.06470	0.3
121.10117	0.4
123.00753	0.3
123.04396	0.2
123.11684	4.3
124.12005	0.1
127.03910	0.2
128.06221	0.1
129.03389	0.3
131.01248	0.5
133.06479	0.1
133.10117	0.2
135.00752	0.2
135.08080	0.1
135.11665	1.1
139.03873	0.2
141.01814	0.3
145.10135	0.1
147.11671	0.3
149.02309	1.7
149.09541	0.1
149.13211	0.1
157.06372	0.1
161.06003	0.1
163.03896	0.1
165.01813	1.2
165.05466	0.6
166.05769	0.8
167.03383	1.2
167.05864	0.4
169.01314	0.9
175.11127	0.1
177.01793	16.5
178.02089	0.4
179.03429	0.4
180.04971	0.1
183.02876	0.9
189.05318	0.1
191.03340	0.9
195.02856	100.0
196.03200	2.4
197.04675	0.1
203.03416	0.1
205.04935	0.1
205.08513	0.1
209.04433	0.9
213.12730	0.2
215.03378	0.3
217.04958	0.2
218.04393	0.5
219.06540	0.3
219.10002	0.5
223.09735	0.1
229.04904	0.3
231.06360	0.1
233.04390	0.2
235.06181	0.1
237.07587	0.1
237.11148	0.7
243.06500	2.0
253.08849	0.1
253.12244	0.1
255.06470	64.5
256.06818	2.5
257.08029	0.8
261.07571	0.1
266.09268	0.1
269.08112	0.6
281.11670	1.0
289.14212	0.1
289.17111	0.3
293.08072	0.1
295.09650	0.3
297.11176	0.3
299.12750	0.6
306.17926	0.1
307.18140	0.4
317.13803	0.3
321.11151	0.2
345.20496	0.3
349.17947	0.2
359.16364	1.8
359.21252	0.1
360.16824	0.1
377.17413	20.8
378.17801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76542	0.6
58.35926	0.6
65.58366	0.6
65.69845	0.6
71.40231	1.5
85.02876	2.0
89.03925	1.0
98.97582	1.9
103.69231	0.8
117.03374	0.9
119.01765	0.8
135.04388	2.8
145.02850	1.9
158.99611	0.8
163.02658	1.1
163.03885	11.5
170.99637	0.7
185.02110	3.2
191.03935	2.1
197.04189	1.6
200.04443	2.6
215.03198	2.8
215.05263	7.5
219.01688	0.9
249.02975	0.8
279.03906	1.0
281.07083	2.0
309.05191	1.0
359.07370	3.1
377.08411	100.0
378.08762	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	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03911	1.8
55.56863	0.5
57.03431	7.1
59.04979	0.6
61.02922	2.9
65.35949	0.5
69.03426	10.9
69.77591	1.0
69.77987	3.7
71.01319	2.2
71.04990	3.4
73.02888	1.8
75.04446	1.7
77.56363	0.5
81.03413	3.4
87.04435	0.7
99.04430	4.3
107.08545	0.5
117.05432	0.9
137.05931	1.1
145.07597	1.5
170.07095	1.1
170.69653	0.5
172.08679	26.6
173.08963	0.9
174.10220	0.9
190.09734	1.0
198.06615	4.7
200.08139	4.5
214.09651	0.7
216.07664	15.6
217.08109	0.8
218.09222	0.8
243.08748	65.2
244.06825	0.8
244.09221	2.9
309.48080	0.5
359.13358	2.3
377.14508	100.0
378.14749	8.6
399.20349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
57.07068	30.9
58.07395	0.3
64.91900	0.2
67.05497	0.3
69.07057	1.8
69.61666	1.7
70.07424	0.2
79.05483	0.3
81.07056	0.3
83.01311	0.2
91.05480	0.4
93.07009	0.5
95.08601	0.7
102.09184	0.3
105.07010	0.7
106.07328	0.2
107.06039	0.2
107.08595	0.8
108.04511	0.3
108.08912	0.2
119.08607	0.2
121.10127	0.7
122.10510	0.2
123.08064	0.2
123.11713	0.3
124.08689	0.2
125.07095	4.3
126.05492	3.6
133.10185	0.4
134.07152	0.3
134.10458	0.3
135.05562	0.4
135.11649	0.3
139.03954	0.2
145.10028	0.3
151.85190	0.2
169.04938	3.4
169.06279	0.2
170.05339	1.2
173.09616	0.6
174.09959	0.5
191.11852	0.6
192.10065	0.3
208.14433	1.7
209.12822	10.3
210.11241	0.9
210.13023	0.2
218.12837	4.0
219.11276	2.3
231.06012	0.2
237.11292	0.3
238.11472	0.3
240.19586	0.5
245.12793	0.2
247.09807	0.2
248.10037	0.2
254.10954	0.2
260.15213	0.7
274.19092	0.3
275.17493	6.0
276.17798	0.4
284.13699	0.3
289.14221	1.1
290.14642	2.3
291.15659	0.5
292.15173	0.3
292.20148	7.5
293.18506	6.1
294.19034	0.3
302.18579	14.3
303.18948	0.6
304.05212	0.3
307.15558	0.2
308.15820	0.6
340.19788	0.6
343.22424	0.3
358.20871	1.2
358.24985	0.9
359.18518	0.5
375.57669	0.8
375.91403	0.9
376.25885	100.0
377.19342	0.4
377.26276	5.5
394.26993	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	376.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01840	0.9
55.05502	5.9
57.03408	1.4
61.02913	1.6
67.05204	0.3
67.05496	3.6
69.03106	0.3
69.03423	3.8
69.07056	7.4
69.09109	0.3
70.06586	0.5
70.94766	1.0
70.95121	0.3
71.04958	1.2
72.04500	0.4
73.02871	0.5
73.06531	0.5
79.05487	2.2
80.52685	0.3
81.03387	1.9
81.07043	12.5
82.07333	0.5
83.04951	0.9
83.08611	6.6
85.02404	0.6
85.02893	11.0
85.06522	1.1
87.04439	0.5
91.03915	0.5
91.05457	2.7
93.07037	3.4
95.04932	0.4
95.08591	17.3
96.55730	0.3
97.02879	4.0
97.06528	3.1
97.10169	2.4
98.21487	0.3
99.04406	0.7
99.08057	0.7
105.07006	3.1
107.08578	1.5
109.02847	1.2
109.06520	0.7
109.10131	1.4
111.08038	0.7
115.07555	0.8
119.08564	6.3
121.10115	1.7
123.08064	1.7
127.03900	1.6
127.07532	0.4
132.34775	0.4
133.10115	4.5
135.11641	2.8
137.09648	0.8
137.13232	4.1
141.09073	0.6
145.04926	1.2
149.13252	0.3
161.13235	11.2
163.74451	0.4
171.64351	0.4
179.14279	3.6
196.16936	3.9
214.17989	100.0
215.18307	3.6
256.19141	0.5
322.20068	1.0
340.20883	0.8
358.22232	2.2
376.23260	16.9
377.23596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09607	0.9
55.05497	2.1
57.03410	1.9
57.06798	1.3
57.07067	19.5
60.15608	0.9
67.05489	7.0
69.07056	7.7
71.06770	2.6
71.07113	0.9
79.05489	5.9
81.07043	50.9
83.01334	3.4
85.02885	1.3
85.06525	6.3
88.85952	1.1
91.05468	5.3
93.07043	5.7
94.01716	0.9
95.04925	1.7
95.08589	13.8
99.97152	0.9
101.67009	1.0
105.07016	8.0
107.04929	1.0
107.08596	10.1
107.43764	1.2
109.06487	3.2
109.10126	5.4
113.80424	1.0
119.08611	2.0
121.06461	3.1
121.10140	10.1
123.11694	6.4
127.03992	1.0
131.08511	1.9
133.10103	10.3
135.08041	3.0
135.11624	2.9
137.05966	3.8
137.13205	5.4
139.07494	4.7
145.10081	2.5
147.08047	1.3
149.05930	2.4
151.07478	3.1
153.05431	3.6
155.07013	2.1
161.05936	1.3
161.09579	1.1
163.07501	2.5
163.11191	1.8
164.25752	1.1
165.05453	33.2
166.05811	1.5
166.20183	1.1
167.07021	100.0
168.07362	2.7
173.09592	2.0
175.07477	1.5
175.11157	3.0
176.08237	1.2
177.05472	3.2
177.09081	8.7
179.03395	1.6
179.06943	2.6
179.10596	1.7
187.07361	1.3
189.09085	2.0
191.07007	2.5
191.10629	2.8
192.07805	1.2
193.08615	1.5
193.12244	1.2
201.09132	2.0
203.10712	1.8
205.08513	3.8
207.10135	1.4
217.08589	5.7
219.10127	42.7
220.10484	1.5
221.11662	6.4
223.09496	1.7
231.10124	2.5
233.11624	1.5
235.09627	5.6
237.11174	48.6
238.11484	2.1
239.12766	19.3
240.12994	1.1
245.11697	2.2
249.11015	1.0
251.12581	5.2
255.13860	1.1
257.11646	1.9
263.12744	3.3
271.59671	1.1
273.14795	2.2
275.12842	2.0
283.13171	1.2
287.16379	14.7
291.15958	2.8
291.19513	8.6
297.14713	2.0
301.14276	1.8
305.17416	15.0
315.15714	3.2
321.18353	1.6
339.19531	7.8
357.20557	71.7
358.20645	6.1
375.21573	31.5
375.26285	1.7
376.22263	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26613	0.8
53.03928	1.6
55.01864	0.7
55.05490	2.2
57.03411	2.3
57.06798	1.2
57.07064	15.9
67.05486	5.9
69.07052	5.9
71.48029	1.5
79.05470	5.2
81.07042	47.7
82.07349	1.4
83.01305	3.5
85.06534	5.7
91.05450	5.8
93.07021	6.3
95.04920	1.5
95.08035	0.9
95.08593	15.1
99.66124	0.8
105.07016	8.9
105.29015	0.8
107.08582	13.3
109.06526	3.8
109.09432	0.7
109.10130	5.1
117.07009	1.0
118.10341	0.7
119.04887	0.8
119.08553	2.2
121.06475	2.6
121.10124	10.3
123.08054	1.1
123.11670	5.6
126.90433	0.8
131.08543	1.9
133.10126	10.2
135.08043	2.9
135.11664	2.8
137.05934	2.1
137.13210	4.9
139.03870	1.3
139.07536	3.7
145.10088	2.5
147.11697	1.1
149.05907	2.4
149.09624	1.8
151.03841	0.8
151.07466	2.1
151.11136	1.2
153.05415	3.3
155.07008	2.3
155.08420	0.8
157.10048	1.0
161.05997	1.0
161.09590	1.0
163.07523	4.0
163.11151	1.0
165.05447	21.0
165.09048	1.3
166.05811	1.0
167.07014	87.2
168.07349	3.4
173.09537	2.4
175.07512	2.1
175.11176	2.7
176.08311	1.2
177.05431	3.2
177.09087	9.1
177.40364	0.9
179.03346	2.1
179.06946	2.4
179.10686	1.1
181.08650	0.9
189.09096	2.3
191.07002	2.3
191.10614	4.3
193.04936	1.2
193.08521	1.5
193.12105	1.5
201.09058	3.2
203.10718	1.7
204.07724	1.6
205.08600	1.9
207.10155	2.5
216.57684	0.8
217.08635	7.9
219.10127	51.8
220.10397	1.9
221.11696	5.5
225.11201	1.1
231.10062	2.1
233.11623	1.2
235.09627	7.5
237.11163	59.1
238.11542	2.6
239.12723	19.9
241.12050	0.9
245.11612	1.5
249.11089	1.2
251.12663	4.8
255.13712	1.4
263.12677	3.8
269.15335	1.3
273.14743	1.9
283.13287	2.5
287.16403	7.5
291.16171	1.6
291.19504	6.2
297.14816	4.1
301.14539	1.8
305.17422	7.5
309.14517	1.2
315.15945	5.3
321.18588	1.3
339.19461	10.3
340.19800	1.4
357.20547	100.0
358.20914	9.0
375.21555	37.7
375.26321	1.1
376.21899	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	375.2371
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.80088	1.4
53.03928	4.6
55.01860	6.7
55.05269	1.8
55.05499	15.6
57.03433	8.5
57.07060	5.6
59.04993	8.3
61.02916	11.1
67.05492	9.8
69.03057	1.7
69.03422	31.7
69.07054	36.5
70.32978	4.6
71.04980	10.4
71.08652	1.1
73.02900	5.1
75.71635	1.1
79.05475	4.6
81.03413	12.6
81.07040	25.5
83.01307	1.4
83.04964	10.3
83.08610	9.6
85.02894	73.6
85.06529	27.7
86.03209	1.3
87.04443	7.3
91.03935	4.5
91.05488	3.1
93.07029	12.5
95.08592	39.9
96.08905	1.5
97.02885	25.0
97.06502	4.5
97.10159	11.6
98.20748	1.6
99.04436	6.6
99.08079	19.6
105.07011	4.3
107.08588	25.3
109.02859	11.9
109.06492	2.4
109.10142	17.0
111.08063	2.8
111.11703	5.5
113.09612	9.9
119.04922	1.6
119.08577	1.8
121.10125	34.9
123.04419	2.3
123.11687	10.1
125.09599	8.3
127.03897	19.4
127.11158	2.8
133.10120	1.9
135.11684	18.9
136.12036	1.5
137.13232	22.3
138.13574	1.3
139.03888	1.3
139.11169	7.3
145.04955	17.1
147.04369	1.8
149.13222	4.4
151.14816	5.8
153.12720	12.2
163.11288	1.3
167.07141	1.5
177.16367	100.0
178.16701	6.6
179.07030	2.7
185.79494	1.2
195.17422	44.0
196.17796	1.6
213.18466	66.0
214.18855	2.7
240.19601	1.8
284.03091	15.0
285.03806	3.0
299.05447	31.4
300.05795	3.9
303.05014	3.6
305.51422	1.3
339.21854	1.7
368.35864	1.5
371.84998	1.6
374.77725	1.6
375.23975	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	375.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
55.05508	15.6
57.03417	3.6
57.07067	5.8
57.29674	2.2
58.60485	2.9
59.04975	6.4
64.87090	2.4
67.05495	13.2
69.03414	6.5
69.07057	17.3
69.93829	2.4
70.56644	2.5
71.04976	29.7
71.79529	5.7
73.02905	3.7
79.05482	8.6
81.03404	4.2
81.07041	29.0
83.04971	18.7
83.08606	12.4
83.14270	2.6
83.58672	2.6
85.02891	37.9
85.06517	8.0
91.05474	9.6
93.07018	25.3
95.08591	56.7
97.02872	2.8
97.06516	5.4
97.10160	5.6
99.08076	7.7
105.07001	13.5
107.04923	4.7
107.08575	46.6
109.06526	6.3
109.10145	27.8
111.04420	19.1
111.08064	9.4
119.08559	36.3
121.06478	2.8
121.10133	31.8
123.04411	3.7
123.08037	7.9
123.11700	21.0
125.09624	9.2
129.05476	9.2
131.08517	2.9
133.10150	13.3
135.11678	34.6
137.05966	8.6
137.09618	14.6
137.13194	3.1
139.11127	5.7
147.11642	4.3
149.13226	11.5
150.02702	3.2
151.07564	2.4
151.11168	3.3
151.14807	4.5
161.05946	4.2
163.03896	14.3
163.07558	3.5
164.04204	18.3
167.07092	4.3
175.14804	39.7
177.08923	5.4
177.16345	67.3
177.79645	2.7
181.12292	3.0
193.08508	2.8
193.15855	53.2
195.17477	15.0
211.16905	100.0
212.17253	4.5
213.14940	3.9
213.18434	24.4
229.04959	7.3
229.18044	4.3
248.61685	2.6
267.65460	2.5
269.12070	3.0
271.05936	31.9
285.03906	27.2
343.08105	6.9
357.13507	4.1
357.20923	7.0
375.06589	4.4
375.10666	4.5
375.24066	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01852	1.9
55.05489	3.8
57.03418	1.3
57.07055	1.5
59.04995	5.7
61.02936	0.8
64.55878	0.7
65.03920	1.7
67.05491	3.2
69.03410	3.0
69.07054	6.0
70.06578	2.1
70.44775	0.7
71.04968	1.9
71.31168	2.1
74.98502	0.7
79.05488	4.1
81.03426	1.3
81.07037	7.5
83.08611	5.2
85.02885	5.9
85.06516	2.4
86.06063	1.8
91.05485	4.3
92.05016	0.8
93.07033	7.7
94.06541	0.7
95.04959	2.2
95.08606	13.5
97.02859	2.2
97.06503	2.1
97.10143	3.0
99.08086	5.9
103.05446	1.6
105.07014	4.9
107.04926	1.6
107.08581	17.4
108.08137	0.9
109.02865	1.8
109.06509	1.3
109.10139	5.9
110.09710	1.5
111.04453	1.2
111.08078	4.6
113.09618	0.9
117.06987	0.8
119.04965	1.2
119.08565	1.4
120.04434	1.4
120.08125	1.4
121.06484	1.7
121.10137	26.6
122.06013	3.7
122.10481	0.8
123.04407	1.5
123.08067	1.4
123.11665	1.4
125.06030	0.9
125.09605	3.4
127.03902	1.2
129.07045	1.2
131.04897	1.0
131.08609	0.8
133.06485	1.9
133.10118	2.5
135.08003	0.9
135.11694	6.6
136.07533	1.3
137.05942	2.2
137.09593	1.1
137.13234	2.5
138.09126	2.1
139.11162	0.8
145.10031	1.0
146.06001	1.7
147.08093	0.9
148.03917	16.2
148.07454	0.9
149.05994	1.4
149.13266	1.9
151.03923	1.9
151.07576	0.9
153.05482	0.9
154.08609	1.7
159.09135	0.8
159.11705	0.9
161.05975	2.4
162.05453	1.5
163.03897	2.9
163.07661	1.1
163.11220	1.1
164.04277	4.0
166.04977	15.5
166.08611	3.7
167.07018	6.3
167.10703	1.2
173.09528	0.9
177.05466	3.0
177.09108	5.9
177.16368	58.5
178.05798	2.9
178.16672	2.2
187.03905	8.1
188.04349	0.7
190.04970	36.0
191.05305	2.3
191.07027	1.9
193.08585	3.0
195.17432	11.8
196.17744	0.8
203.06943	0.9
213.05434	5.4
213.15027	1.1
213.18474	15.8
215.03346	11.3
219.10106	1.1
221.07982	0.9
224.06960	1.1
229.04926	1.0
231.02863	0.8
237.11119	1.4
240.19701	0.9
243.02882	21.4
244.03302	2.2
247.09509	0.8
253.08398	0.9
255.11201	1.2
260.03201	0.8
261.03900	7.6
265.08743	1.2
271.02347	24.7
271.05923	4.8
272.02756	3.0
283.10852	0.8
285.03918	7.2
286.04282	0.9
287.01929	2.5
289.03354	10.1
290.03903	0.8
297.12213	1.4
299.01849	37.7
300.02240	3.3
303.04956	2.1
313.10468	1.0
315.13324	5.0
317.02887	100.0
318.03235	11.7
325.11557	4.6
339.12704	0.9
343.08344	2.0
343.12851	11.3
344.13208	1.5
345.13141	1.7
357.09555	2.1
357.13510	2.0
357.20685	3.5
357.85397	0.9
375.10690	2.2
375.17953	2.1
375.21912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2162
Annotation	Kuhistanicaol G
Peak:m/z	Relative Intensity
53.49123	0.2
55.01865	2.8
55.05499	1.0
57.03429	3.2
57.07064	3.6
59.72450	0.2
62.53305	0.2
65.03944	0.4
67.05493	2.7
69.03417	0.9
69.07057	2.0
71.04981	0.4
71.81940	0.3
79.05492	2.3
81.03390	0.3
81.07044	10.3
83.01321	0.7
83.04994	0.3
83.08628	0.3
85.06538	0.7
91.05463	3.1
93.03431	0.2
93.07034	4.6
95.04945	0.6
95.08597	3.2
97.06496	0.2
103.05471	0.3
105.03363	0.3
105.07022	5.0
106.49429	0.2
107.01308	0.5
107.04920	1.0
107.08585	4.0
109.02892	0.5
109.06496	1.0
109.10143	3.5
115.05459	0.9
117.07009	1.8
119.04928	1.1
119.08558	2.6
121.06481	1.2
121.10135	4.7
123.04380	0.4
123.08067	1.0
123.11690	35.2
124.12044	0.7
125.56794	0.2
127.03893	0.4
127.07519	0.3
128.06201	2.2
129.06989	1.6
131.05000	0.3
131.08528	2.7
133.02806	0.3
133.06483	2.1
133.10114	3.6
135.04398	1.6
135.08040	8.5
135.11665	5.3
136.08316	0.2
137.02341	1.7
137.05933	0.3
137.09560	0.3
143.08542	4.0
145.06490	2.2
145.10109	0.8
146.07211	0.8
147.04399	1.5
147.08023	2.9
147.11652	0.9
149.09598	7.9
149.10812	0.4
149.13177	0.3
151.03882	4.7
153.05472	0.6
153.12747	0.3
155.03337	0.3
155.08539	0.2
157.06424	0.5
157.10155	0.3
159.04362	0.5
159.08031	0.4
160.05122	0.4
161.05946	3.1
161.09595	6.1
163.03883	4.6
163.07545	2.2
165.05455	2.0
165.09183	0.3
167.07121	0.3
171.08043	3.4
172.08614	0.2
173.05968	0.8
173.09586	0.6
174.06761	2.2
175.03941	2.7
175.07527	13.6
175.11026	0.4
176.07874	0.4
177.05501	0.4
177.09052	1.1
179.03395	2.7
181.04967	0.9
185.09550	0.4
187.07553	0.4
187.10999	0.2
189.05536	1.2
189.09082	15.6
190.09406	0.5
191.06996	1.9
191.10645	0.3
193.04936	0.6
197.04410	1.6
199.07512	4.5
201.12743	0.3
202.06252	0.5
203.06993	0.4
203.10695	0.3
205.08565	3.0
207.10027	0.3
209.08000	1.7
211.09558	0.4
213.09109	0.3
213.12714	0.7
215.10744	0.3
217.08571	100.0
218.08884	3.4
219.10112	3.2
223.09532	1.8
227.10570	0.3
229.08531	0.3
231.10155	3.5
231.13905	0.3
233.11565	0.3
235.09616	72.4
236.09930	2.4
237.11121	4.0
241.08479	0.5
241.12291	0.4
243.10252	0.4
245.11630	0.4
249.11177	1.1
253.10716	0.8
255.10194	0.9
255.13747	0.5
257.11710	0.5
259.13226	0.5
269.11749	0.3
273.11392	0.5
273.14795	1.5
275.12735	0.6
276.12329	0.3
277.12039	0.3
279.13916	0.4
283.13251	1.8
287.13254	0.3
287.16486	1.0
291.15915	5.3
297.14917	0.6
301.14224	0.9
305.14078	0.3
305.17471	0.9
315.15884	0.4
321.18509	1.5
339.19516	7.3
340.19510	0.3
357.20544	80.3
358.20895	4.9
375.21597	42.7
376.17630	0.4
376.21939	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	375.216
Annotation	12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Peak:m/z	Relative Intensity
53.00291	0.2
53.03925	0.5
53.81646	0.2
55.01865	3.5
55.05503	2.8
57.03159	0.2
57.03427	3.8
57.07064	12.4
59.04992	1.8
65.03918	0.5
67.05493	3.7
68.99756	0.2
69.03422	1.4
69.07056	12.1
70.09686	0.8
71.04964	0.7
77.03880	0.3
79.05478	3.1
81.03387	0.7
81.07040	7.6
83.01326	0.9
83.04949	0.5
83.08614	1.1
85.02856	0.3
85.06527	2.0
91.04926	0.3
91.05458	4.5
93.03378	0.3
93.07028	6.2
94.38181	0.2
95.04940	1.2
95.08590	6.2
97.06509	1.7
103.05431	0.6
105.03373	0.4
105.06328	0.4
105.07011	5.9
107.01276	0.8
107.04944	1.6
107.08577	6.9
108.08894	0.2
109.02868	1.4
109.06491	1.5
109.10141	5.0
111.04427	0.2
111.08026	0.5
111.11671	0.3
114.96861	0.2
115.05422	0.7
116.06181	0.3
117.07002	2.5
119.04916	1.1
119.08566	3.2
121.02850	0.2
121.06490	1.6
121.10123	4.8
123.04459	0.4
123.08072	1.3
123.11684	17.0
124.11948	0.2
125.05972	0.2
127.03890	1.1
127.07501	0.4
128.06194	2.9
129.06976	1.4
130.07748	0.5
131.04924	0.3
131.08537	3.0
132.05687	0.2
133.06473	1.9
133.10110	4.4
135.04393	1.6
135.08029	12.9
135.11662	6.4
136.08325	0.3
137.02316	2.5
137.05975	0.4
137.09613	0.4
139.03871	1.3
139.11168	0.3
141.06995	0.2
141.12660	0.4
142.07756	0.3
143.08531	3.9
145.06461	2.7
145.10036	1.0
146.07265	1.2
147.04398	2.1
147.08018	3.4
147.11630	0.8
149.05954	0.8
149.09590	8.3
149.13252	0.5
151.03876	7.7
151.07451	0.3
151.11095	0.4
153.05450	3.3
153.06862	0.4
153.12715	2.4
155.03323	0.4
155.08510	0.4
157.06445	0.6
157.10075	0.5
158.07254	0.2
159.04410	0.6
159.08034	0.6
159.11671	0.2
160.05128	0.6
161.05948	3.6
161.09593	7.9
162.06631	0.2
163.03879	4.6
163.07513	3.3
163.11174	0.3
165.05441	1.3
169.10085	0.3
171.08002	4.2
173.05922	0.8
173.09587	0.9
174.06726	2.5
175.03918	3.7
175.07518	16.1
175.11130	0.8
176.08055	0.4
177.05475	0.6
177.09068	1.7
179.03345	2.2
179.07001	0.4
179.08412	0.2
181.04967	1.0
181.08607	0.3
181.10075	0.3
185.09583	0.4
187.07509	0.8
188.04640	0.2
189.05493	1.1
189.09082	15.6
190.06200	0.3
190.09457	0.3
191.06993	3.0
191.10590	0.8
193.04924	0.6
193.08601	0.5
193.12207	0.3
194.36021	0.2
197.04378	0.7
199.07518	4.9
199.11130	0.2
201.09077	0.9
201.12724	0.4
202.06319	0.4
203.07033	0.8
203.10588	0.6
204.07785	0.2
205.08565	7.1
207.10045	0.3
209.08017	2.0
209.13094	0.2
213.09030	0.5
213.12720	0.7
215.06958	0.2
215.10603	0.5
217.08562	100.0
218.08929	2.2
219.10132	9.0
220.10411	0.2
221.08029	0.6
223.09575	5.4
227.10608	0.6
229.08589	0.4
229.12166	0.7
231.10062	1.8
231.13754	0.4
233.11655	0.3
235.09607	63.2
236.09944	1.4
237.11151	8.3
241.08554	0.5
241.12210	0.8
242.09262	0.3
243.10246	0.4
243.13670	0.2
245.08023	0.4
245.11699	0.8
247.09607	0.5
249.11211	1.3
249.14537	0.2
253.12503	0.2
255.10080	0.7
255.13756	0.7
257.11670	1.6
259.13193	1.2
261.11118	0.5
263.08984	0.2
263.12708	0.3
269.11746	0.4
271.13242	1.1
273.11655	0.3
273.14792	3.3
275.12759	1.9
277.14252	0.9
283.13232	2.6
287.12784	0.9
289.14276	1.3
291.12619	0.4
291.15857	8.2
292.16138	0.3
293.13983	0.3
296.13968	0.2
297.14795	0.7
299.16190	0.3
301.14294	3.0
305.13785	0.5
311.19992	0.3
315.16043	0.3
315.19525	0.5
317.17383	0.4
319.15384	0.3
321.18439	1.1
329.20895	0.3
333.20578	0.4
339.19479	7.4
340.19626	0.3
357.20535	26.5
358.21024	1.1
365.94833	0.2
375.21600	56.3
376.21857	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	375.216
Annotation	Kuhistanicaol G
Peak:m/z	Relative Intensity
55.05477	0.3
57.03434	2.0
57.07066	2.7
57.78510	0.3
65.03904	0.4
67.05497	1.7
69.03388	0.4
69.98921	2.0
70.31636	0.3
79.05486	1.8
81.07046	1.7
83.01326	3.4
83.04949	0.7
85.02865	0.5
85.06496	1.1
91.05469	4.5
93.07037	3.8
95.04956	0.8
95.08586	4.9
105.06355	0.5
105.07016	8.1
106.07321	0.3
107.08575	10.4
108.08898	0.3
109.06501	1.6
109.10139	1.7
117.07025	0.6
117.24663	0.3
119.04903	0.9
119.06140	0.3
119.08550	1.0
121.06477	1.0
121.09267	0.6
121.10126	10.8
122.10468	0.5
127.07504	0.4
131.08563	1.3
133.06447	0.5
133.10107	10.8
134.10434	0.3
135.08022	2.8
135.11656	0.8
137.05908	0.5
139.03879	0.8
139.07471	0.4
143.08562	0.5
145.10100	2.5
147.07988	0.5
147.11639	0.9
149.05937	1.1
149.09599	1.7
153.05429	1.6
155.08539	0.7
157.10086	0.5
158.07176	0.5
159.08041	0.7
161.05940	0.6
161.09546	0.3
162.06760	1.1
163.07498	3.6
163.11124	1.7
165.05466	1.0
165.09044	0.3
171.07964	0.4
173.09608	2.6
175.07527	1.2
175.11166	3.2
176.08279	1.3
177.05475	1.9
177.09091	8.6
178.06163	0.3
179.03349	0.3
179.07025	0.4
185.13142	0.3
189.09071	0.5
190.06248	0.4
191.06987	1.1
191.10637	5.7
193.08522	0.5
199.07524	0.3
199.11276	0.4
201.09099	3.0
203.10638	0.7
204.07780	1.3
205.08624	1.0
207.10085	0.6
209.08011	0.7
216.07755	0.3
217.08560	0.8
217.12158	0.4
219.10130	51.4
220.10538	1.2
223.14819	0.3
225.11024	0.3
227.10567	0.6
231.10211	0.9
233.11621	1.6
235.09616	1.2
237.11179	59.6
238.11552	1.0
239.10603	0.4
243.10022	0.7
245.11740	1.6
251.12611	0.6
255.10580	0.3
255.13705	0.7
261.16382	0.4
263.12741	4.1
265.12091	0.4
268.10928	0.4
269.15427	0.5
273.14874	1.0
275.18002	0.3
277.14615	0.3
279.13821	0.9
282.12189	0.4
283.13260	3.2
283.16309	0.5
291.16000	0.8
292.14502	0.6
293.18845	0.4
297.14865	3.5
301.14328	1.2
310.15829	0.3
311.16724	0.4
311.20099	0.8
315.15869	4.9
321.18500	2.1
325.64267	0.3
329.17419	0.4
339.19516	9.2
340.20020	0.4
357.20551	100.0
358.20865	5.1
375.21616	26.5
376.21802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2161
Annotation	Kadangustin K
Peak:m/z	Relative Intensity
52.83802	0.2
53.03921	0.4
55.01848	0.7
55.05502	1.4
57.03207	0.3
57.03429	3.2
57.07067	8.3
65.03925	0.7
67.05143	0.3
67.05498	5.5
69.03410	0.8
69.07061	0.6
70.17143	1.5
71.04988	0.6
79.05491	2.5
81.06674	0.3
81.07046	2.7
83.01327	6.8
83.04965	1.1
85.02888	0.4
85.06522	2.2
88.93330	0.3
91.05462	5.5
93.07030	6.9
95.04950	1.2
95.08591	16.8
96.08914	0.3
97.06470	0.4
99.04440	0.6
105.07012	11.6
105.07714	0.6
107.04927	0.4
107.08581	11.0
109.06505	2.3
109.10152	2.8
111.04395	0.7
117.06989	1.1
119.04933	1.7
119.06030	0.3
119.08563	2.2
121.06468	1.1
121.10126	10.4
123.04356	0.5
123.08026	0.5
123.11678	1.2
125.05971	0.4
127.03940	0.3
127.07515	0.8
129.06963	1.0
130.07724	0.5
131.08553	2.7
133.06447	0.6
133.10110	13.1
134.10501	0.3
135.08020	3.6
135.11667	1.4
137.05920	1.0
137.09512	0.4
139.03885	1.0
141.37949	0.3
142.07753	0.4
143.08530	1.4
145.06383	0.5
145.10104	3.3
147.08000	0.8
147.11682	1.7
149.05949	1.5
149.09605	2.7
151.07491	0.8
151.11047	0.4
153.05440	2.0
155.06999	0.4
155.08519	0.9
157.10112	1.0
158.07213	0.8
159.08025	1.3
159.11681	0.8
160.08830	0.3
161.05988	1.7
161.09540	0.4
162.06746	1.7
163.07507	5.5
163.11156	2.6
165.05528	2.1
165.06863	0.5
165.09113	1.3
167.07161	0.4
169.04904	1.3
169.10078	0.6
171.08026	0.7
171.11624	0.5
172.08813	0.3
173.09573	5.0
175.07535	1.8
175.11154	5.9
176.08318	2.4
177.05568	1.4
177.09094	12.9
178.06221	0.4
179.03253	0.3
179.07007	2.0
181.08549	0.6
183.08003	0.4
183.11671	0.4
185.09586	0.3
185.13281	0.6
187.07555	0.5
187.11124	0.5
187.14793	0.4
189.05374	0.5
189.09106	1.1
190.06250	1.0
191.07033	3.6
191.08691	0.5
191.10632	7.9
192.10924	0.4
195.11668	0.8
197.08037	0.4
197.13367	0.3
199.11188	1.2
201.09071	5.3
201.12720	0.4
202.09642	0.3
203.06798	0.3
203.08972	0.4
203.10651	1.8
204.07802	1.1
205.08525	2.6
205.12187	0.5
206.09225	0.5
207.06421	0.4
207.09998	0.3
207.11713	0.5
209.08037	3.4
209.09776	0.4
213.09018	0.5
213.12750	0.5
215.10687	0.4
216.07770	0.4
217.08556	1.2
217.12196	1.6
219.10130	80.1
220.10512	2.3
220.12544	0.5
221.11594	0.6
223.07700	0.3
223.14789	0.6
225.09041	0.7
226.09726	0.4
227.10608	0.9
229.12190	0.7
231.10168	1.1
233.11615	1.0
233.13530	0.7
235.09648	1.1
237.11172	77.3
238.11555	2.1
239.10674	0.4
240.11432	0.5
241.12230	1.5
243.10080	1.1
244.14122	0.4
245.08066	0.5
245.11693	3.6
245.14043	0.5
249.12820	0.4
251.12540	0.6
253.10539	0.9
254.09358	1.2
254.13057	0.6
255.10025	0.7
255.13724	1.5
257.11624	0.8
259.13281	0.9
261.16266	0.8
263.12711	7.4
264.15179	0.5
265.12030	0.8
265.15820	0.5
265.19418	0.6
267.13727	0.5
268.10922	1.6
269.11731	0.5
269.15369	0.9
273.14792	5.4
275.12750	0.4
275.17923	0.7
277.12137	1.0
279.13748	1.2
279.16937	0.4
281.11414	0.4
281.13821	3.8
283.13263	6.8
283.16415	0.4
284.13727	0.5
285.14771	0.6
287.16339	0.4
291.16037	1.8
292.14505	1.1
293.13553	0.4
293.15906	0.3
293.18970	1.1
295.13339	0.4
297.14853	7.0
297.18182	0.2
298.15323	0.4
301.14282	2.3
301.17719	0.6
303.17270	0.4
305.15359	0.4
306.16064	1.1
309.14572	0.7
310.15543	0.5
311.16409	0.6
311.19934	1.0
315.15894	7.4
315.19485	0.8
320.34348	0.3
321.18439	3.7
329.17383	0.5
329.21228	0.3
339.19519	13.8
340.19830	0.8
341.21176	0.8
347.23776	0.5
357.20544	91.0
358.20941	3.8
375.21606	100.0
376.21899	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	375.216
Annotation	Kuhistanicaol G
Peak:m/z	Relative Intensity
51.61964	0.4
52.32378	0.5
55.05455	2.6
55.38913	0.4
57.03387	2.0
57.07017	4.0
65.03911	0.8
66.54998	0.5
67.05492	2.7
69.07006	1.1
69.96127	2.8
69.96539	0.7
79.05501	2.4
81.07043	3.6
83.01337	3.9
83.04931	0.6
84.91893	0.4
85.06467	1.7
91.05473	6.4
93.07044	3.4
95.04919	1.0
95.08602	5.3
98.20644	0.5
102.10532	0.5
105.07018	12.2
107.08580	16.8
109.06443	2.1
109.10150	3.5
113.56398	0.4
117.06927	1.0
119.04872	1.1
119.06020	0.5
119.08507	1.7
121.06387	0.7
121.10144	4.1
121.82912	0.5
123.11681	1.0
129.06888	0.5
131.08481	1.9
133.06422	0.8
133.10107	19.2
135.07938	1.7
135.11609	1.7
137.02087	0.5
137.05949	0.7
139.03816	0.9
141.01747	0.5
143.08525	1.1
145.10045	2.0
147.07961	0.6
147.11630	1.4
149.05928	0.9
149.09529	1.7
151.03764	1.0
153.04411	0.5
153.05455	5.6
163.07491	3.2
163.11107	1.5
165.05402	1.4
173.09619	2.8
175.07561	0.8
175.11154	4.5
176.08203	0.9
177.05412	1.2
177.09099	7.5
179.03383	6.9
179.06891	0.6
189.09007	0.6
190.05943	0.5
191.06975	1.9
191.10651	4.0
194.10718	0.6
195.11604	0.6
197.04398	3.0
201.09099	3.1
203.10588	1.1
204.07686	0.9
205.08551	2.9
207.10101	0.7
209.08044	0.6
217.08542	0.9
217.12183	0.8
219.10133	43.4
220.10385	1.4
231.10196	1.2
231.13869	0.5
233.11617	1.7
235.09616	8.2
237.11177	41.6
238.11566	0.7
239.10474	0.7
241.12207	1.0
243.10271	1.1
245.11650	1.4
249.11140	0.8
251.12553	1.0
253.10612	7.2
255.13847	1.1
257.11789	1.0
259.13229	1.1
263.12701	3.6
265.12000	0.7
269.11752	0.8
273.14828	1.2
275.16278	0.8
277.12158	0.6
279.13754	1.6
281.11612	0.6
282.12524	0.6
283.13379	3.1
291.16080	0.8
292.14398	0.8
293.18811	0.8
297.14926	4.8
297.18234	0.8
301.14294	1.6
309.14844	0.7
310.15494	0.7
311.16595	0.6
315.15878	7.1
321.18448	2.9
329.17587	0.7
339.19513	14.4
340.19827	0.6
343.42987	0.5
357.20554	100.0
358.20850	4.4
358.28131	0.6
375.21622	42.0
376.21970	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2161
Annotation	17-oxo-RvD1
Peak:m/z	Relative Intensity
53.03936	2.9
55.01863	5.0
55.05497	7.6
57.07053	5.5
65.03947	1.9
67.05492	17.5
69.03417	12.6
69.07056	43.2
69.90479	2.5
69.90883	11.1
72.08570	2.2
79.05481	9.0
81.07040	21.7
83.01340	6.0
83.04973	8.5
83.08598	2.1
91.05447	15.8
93.07034	33.1
95.04951	11.9
95.08595	23.0
97.06522	5.8
97.10152	3.6
105.07018	30.8
107.04914	3.9
107.08577	47.0
107.96442	2.1
109.06508	9.2
109.10133	28.2
111.04426	5.1
111.08041	2.8
115.05486	2.7
117.07005	6.3
119.08554	17.5
121.06476	7.6
121.10133	54.5
122.10976	2.9
123.04411	11.1
123.08047	7.6
123.11684	49.0
125.05980	7.2
125.09622	4.4
129.68439	1.8
130.07799	3.8
131.08559	7.2
133.06490	4.6
133.10109	31.1
135.08031	12.5
135.11674	78.7
136.12013	2.2
137.05940	8.8
137.09564	10.0
139.03865	25.6
139.07515	5.5
141.05440	6.1
142.07730	4.2
143.08540	9.1
145.10089	14.5
147.08017	5.2
147.11642	11.5
149.05904	5.1
149.09598	7.4
151.03886	6.6
151.07544	6.2
151.11165	3.3
153.05435	10.1
153.09067	6.8
155.08481	2.8
155.10669	4.0
157.10106	10.8
159.08003	4.9
159.11682	11.2
161.05977	3.0
161.09599	21.0
161.13211	2.3
163.07549	6.2
163.11140	9.7
165.05489	13.2
165.09109	3.1
167.03389	4.9
167.07091	10.5
169.04976	14.0
169.10214	3.1
171.07974	3.9
171.11656	4.3
173.09595	12.8
174.06720	2.5
175.07536	3.3
175.11177	20.9
177.05377	9.8
177.09103	6.6
177.12668	15.4
179.03381	6.2
179.07043	2.1
179.10663	7.7
181.08568	3.0
185.09610	8.8
185.13208	2.8
187.11174	6.1
189.09064	31.4
189.16368	2.0
191.10652	14.2
193.04977	4.8
197.04504	4.9
197.09535	2.4
199.07486	2.5
201.09055	4.8
203.10634	57.5
205.12236	2.0
207.10039	9.4
207.11812	2.4
209.11571	4.4
209.13332	4.4
211.11317	2.7
211.14767	2.4
213.12651	2.7
215.10681	6.5
217.08521	12.3
217.12033	2.2
219.10085	15.9
221.11722	8.9
223.09543	4.6
223.14969	2.6
224.12067	2.3
225.12831	3.1
227.14236	7.2
230.12553	2.0
233.67783	2.0
235.09633	46.2
237.11101	17.7
241.15771	2.4
243.10199	2.3
243.13773	5.3
245.11636	9.6
245.15274	2.5
253.10561	11.5
255.13783	7.3
266.67792	2.3
271.13284	10.2
273.14798	7.7
277.47079	2.0
287.12878	3.0
287.16391	4.0
289.14328	8.8
289.17899	11.0
293.18945	8.0
295.20578	10.8
299.16403	7.2
301.21420	3.5
305.13644	6.5
311.20090	16.9
313.21582	15.7
315.15707	2.5
317.17529	13.8
321.18536	4.9
329.20984	22.8
331.22482	11.4
339.19571	25.1
347.22238	3.0
357.16809	3.2
357.20523	84.5
358.20844	4.9
375.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2009
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
53.03934	1.4
55.01873	3.6
55.05498	9.7
57.03423	1.7
57.07057	0.7
59.04992	3.4
61.02910	4.0
67.05501	6.4
69.03424	10.4
69.07051	3.9
69.50039	7.1
71.01351	0.6
71.04980	11.1
73.02898	1.7
79.05466	3.3
81.03397	3.9
81.07041	8.2
83.04984	1.5
83.08598	6.8
85.02894	21.4
85.06522	2.2
85.57880	0.6
87.04458	3.0
91.03939	1.0
91.05453	2.4
92.56200	0.6
93.07040	5.3
95.04952	1.8
95.08576	4.0
97.02875	7.7
97.06517	20.8
97.10152	10.4
99.04427	2.2
99.08035	1.1
105.07001	2.3
107.08593	5.6
109.02884	3.3
109.06512	1.0
109.10138	4.5
111.08079	1.1
117.06932	1.2
119.08529	1.1
121.06493	1.7
121.10130	1.9
123.04398	1.9
123.08057	0.9
125.09605	7.7
127.03885	3.1
131.08539	1.1
133.10130	1.6
135.08017	1.2
135.11684	1.8
135.49933	0.7
136.16341	0.6
137.05957	1.2
145.05003	3.5
145.06093	0.7
149.05945	0.9
149.13229	0.9
151.03909	1.4
159.11659	1.6
161.05835	0.7
177.09131	1.0
177.12726	2.3
177.16432	3.0
189.11150	1.4
195.12108	1.0
195.13785	12.7
213.14827	100.0
214.15179	1.9
214.18021	2.1
229.05031	0.7
237.14848	4.6
255.15855	1.1
257.04437	1.5
261.04050	0.7
266.09479	0.7
273.03848	1.0
279.15851	1.1
285.03909	11.8
286.04282	1.3
303.04913	3.2
303.08420	1.0
343.07999	2.4
357.09677	0.9
357.20630	1.3
375.10654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83974	1.1
53.03945	1.3
53.21410	0.7
55.05491	3.6
57.03425	0.8
57.07087	1.0
67.05496	2.3
69.03424	7.0
69.05484	0.6
69.07059	2.5
69.55090	0.6
69.80013	5.5
71.04974	8.8
79.05491	3.2
79.72195	0.6
81.07053	2.3
83.01339	3.3
83.04971	1.9
83.08621	1.1
84.95962	0.7
85.02897	0.8
91.05472	6.5
91.28503	0.6
93.07037	8.2
93.72902	0.6
95.04961	1.2
95.08607	2.7
97.02883	8.5
97.06525	4.2
103.05440	1.0
105.07021	94.8
106.07362	3.9
107.08583	5.0
108.19779	0.8
109.06510	2.9
111.08081	10.7
113.02367	1.1
117.06996	2.8
119.08574	5.8
121.06500	4.2
121.10125	3.1
125.05955	1.7
128.06177	1.0
128.69893	0.8
129.07036	1.2
130.07765	3.3
130.73521	0.9
131.08548	30.3
132.08871	1.3
133.10077	1.7
135.04356	0.8
135.08052	0.8
135.11702	2.1
137.05939	1.3
139.07501	3.7
142.07756	1.1
143.08525	2.7
145.10112	43.1
146.10895	20.3
147.08072	1.0
147.11690	14.7
148.11967	1.0
149.05959	20.2
155.08578	1.3
157.08644	2.0
157.10100	3.2
159.08038	0.7
163.11143	1.7
165.05521	1.0
165.06963	1.4
167.07069	6.5
167.08403	1.6
169.08670	1.5
169.10098	1.4
171.08086	1.5
171.11697	1.2
173.09604	17.5
174.10312	1.8
175.07515	1.1
175.11185	5.1
182.10884	1.1
185.08069	100.0
185.13261	2.4
186.08487	2.6
187.14897	0.8
189.09123	3.9
191.10648	45.9
192.11127	2.2
193.12216	6.2
195.11739	3.3
197.13216	2.8
199.11105	1.3
203.07083	0.7
205.08655	0.8
213.12714	5.0
219.10129	1.5
223.11150	1.7
235.09448	1.5
239.17868	0.8
241.12338	3.5
241.15761	0.9
251.10741	0.8
257.11676	2.1
259.13275	38.5
260.13623	2.0
277.14337	2.2
283.16925	0.9
285.18674	1.5
287.12637	0.9
311.16379	2.2
313.17920	3.3
329.17514	7.3
329.21051	1.2
339.19489	1.0
357.16827	5.9
357.20581	1.9
358.25757	0.8
375.17789	1.8
375.21680	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	375.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01852	1.0
55.05505	3.3
57.03432	2.4
57.07065	2.4
59.04992	3.3
65.03930	6.7
65.22950	0.9
67.05506	7.3
68.09515	1.0
69.03434	4.9
69.07059	6.8
70.06584	1.5
71.04980	6.0
71.81248	1.3
73.02896	1.7
79.05501	8.6
80.67695	1.0
81.03428	2.8
81.07055	12.4
83.04981	1.8
83.08612	2.6
84.04472	1.4
85.02885	5.1
85.06525	2.2
87.04475	2.5
91.05457	6.4
91.05982	1.0
92.04996	3.6
93.07029	14.9
94.06539	1.8
95.04971	2.8
95.07307	2.3
95.08586	10.2
96.08120	4.6
97.02891	2.2
97.06530	4.2
99.08099	2.8
103.05482	1.7
105.07024	6.3
107.04960	1.5
107.08591	8.9
108.08133	6.7
109.02811	1.1
109.06538	2.4
109.10157	4.1
110.09661	8.0
111.08084	2.8
116.04946	1.7
117.05500	2.0
117.07011	3.7
119.08584	3.4
120.04447	8.8
120.08095	3.4
121.02881	2.6
121.06494	2.4
121.10143	7.5
121.40654	1.0
122.06036	4.3
123.04410	1.9
123.08044	1.3
123.11683	2.7
124.07590	2.3
125.05984	1.3
125.09655	2.0
127.03923	1.8
131.08583	4.8
133.06491	2.0
133.10112	5.0
134.25237	1.0
135.08040	3.3
135.11671	11.2
136.07559	4.7
137.05956	3.6
137.09659	2.3
138.09126	8.9
144.04453	4.7
145.10138	2.3
147.11635	1.6
148.03915	100.0
149.04272	2.2
149.09622	2.0
149.13248	3.4
151.03879	4.1
151.07474	1.5
151.11182	2.2
153.01831	2.0
154.08554	1.8
155.10753	1.2
159.11693	6.6
161.09651	2.1
162.05513	4.1
165.05513	1.2
166.04980	50.5
166.08641	17.2
167.07065	3.6
172.03920	23.0
173.09615	2.2
177.09096	11.4
177.12723	12.6
177.16302	6.3
183.25076	1.2
190.04968	11.6
191.10617	1.6
193.08604	3.8
195.10167	1.7
195.13776	17.5
195.17409	3.0
203.06966	1.3
204.06549	41.0
213.14761	6.2
213.18523	3.5
214.18073	2.1
217.08676	1.3
219.10081	2.4
220.16965	1.9
221.08110	1.9
221.11604	1.5
222.07658	1.3
227.11688	1.4
237.11211	3.6
240.19693	2.7
243.03020	1.6
255.11278	18.3
256.03644	3.7
271.02484	2.8
271.06006	14.2
272.03046	1.2
273.12344	14.0
283.06003	1.4
283.10773	18.2
285.03922	14.3
286.01254	1.4
296.06891	2.7
297.07553	1.5
299.01981	2.6
299.05444	3.5
299.08774	1.6
301.03714	2.4
301.11792	91.7
302.12076	2.9
303.04984	4.2
311.09055	6.0
317.02902	8.2
319.12836	14.4
325.11859	2.2
327.08575	2.0
339.08640	5.8
339.12772	1.6
339.19672	1.4
343.08304	4.1
343.12796	30.2
344.13275	1.7
357.09720	7.6
357.14145	2.4
357.20660	6.0
374.57440	1.7
374.77960	2.1
375.10754	14.0
375.14890	1.8
375.19989	6.3
375.57745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1433
Annotation	Saucerneol I
Peak:m/z	Relative Intensity
50.87082	0.8
52.50686	0.9
52.67996	0.8
53.03934	1.1
55.01863	1.2
55.05484	2.8
57.03423	0.9
57.07069	2.8
63.00269	0.8
67.05483	4.2
68.99788	1.6
69.03413	2.1
69.06699	1.7
69.07059	31.8
70.06565	3.0
71.04980	3.2
71.52924	1.4
79.05479	3.6
81.07040	5.1
83.04978	2.0
83.08617	1.4
85.02898	1.6
85.06537	2.1
91.05460	4.9
93.07043	8.0
95.04945	2.6
95.08620	5.9
97.02867	0.9
97.06522	3.0
105.07020	4.6
107.04954	0.9
107.08573	6.6
108.08104	1.3
109.06481	2.8
109.10141	4.2
111.04418	2.2
117.06972	2.8
119.08555	4.0
121.06480	2.8
121.10140	5.9
123.04421	1.2
123.08048	2.4
123.11686	1.3
124.05230	1.2
125.09586	1.8
126.23528	0.9
127.03869	1.2
129.07007	1.6
130.07770	1.5
131.08537	3.4
133.06421	1.2
133.10089	3.9
135.08032	1.7
135.11687	6.1
137.06009	0.9
139.03883	2.7
141.05435	0.9
142.69034	1.0
143.08505	1.7
145.10071	4.5
147.04358	0.9
147.08054	1.5
147.11670	2.3
149.05960	1.1
149.09634	1.5
151.03835	1.2
151.07562	0.8
153.01788	9.6
153.05440	1.0
157.06467	1.1
157.10104	1.7
159.07986	1.3
159.11650	1.3
161.09491	1.0
163.11163	6.5
165.05428	1.7
169.04930	4.0
171.08000	1.4
171.11667	1.4
173.09595	10.0
173.13309	1.5
175.07510	2.9
175.11200	4.0
177.05435	2.4
179.03416	1.2
179.06979	1.3
183.06509	1.7
185.09587	1.6
187.04022	1.1
187.07616	1.2
189.05379	1.2
189.09076	2.0
191.10681	3.9
193.04927	1.2
193.08682	1.3
199.11298	1.4
203.03531	1.2
203.07022	2.0
203.10628	1.7
205.04973	6.3
205.08583	1.3
207.02861	1.3
211.07518	1.3
213.05367	0.9
213.12794	1.5
216.04135	1.5
217.04890	5.6
217.08598	3.6
219.06497	2.5
219.10149	2.6
220.16890	2.2
222.18547	1.9
227.10686	2.4
229.04887	5.3
231.02841	2.7
231.06506	13.8
231.10152	1.3
233.04430	8.1
233.08064	2.5
235.09641	3.6
237.11197	1.9
238.17973	3.8
240.19576	3.6
241.04939	2.4
243.06505	28.8
245.04362	5.0
245.11736	3.0
247.05945	2.4
249.11119	1.0
253.10625	1.5
255.06471	6.8
257.04422	2.8
257.08240	1.4
259.05972	11.8
260.06293	0.9
261.03943	2.0
261.07483	5.7
267.06332	1.6
269.04764	4.3
269.08057	7.0
269.11777	1.9
271.05994	30.9
271.13306	1.5
273.07440	0.9
277.07092	2.1
279.06400	2.3
281.08023	1.6
283.05923	4.4
283.09372	2.0
285.03772	1.8
285.07593	0.9
285.10992	1.8
287.05469	15.4
287.08386	1.8
287.12619	1.8
287.16232	1.2
288.06131	1.2
289.07037	48.1
289.14227	3.6
290.07373	1.2
293.07965	2.1
295.09509	4.5
297.07462	3.4
297.11172	6.3
297.14490	1.5
301.06888	1.6
305.13763	1.4
311.09079	2.3
311.12720	8.1
313.10580	3.5
315.12427	0.9
315.15863	3.8
321.11209	5.3
327.12195	3.4
329.13690	2.2
333.16904	3.7
339.12247	17.2
339.15738	1.5
339.19452	3.8
340.12845	1.2
357.13278	100.0
357.16656	3.7
357.20563	7.6
358.13568	3.8
374.57019	5.0
374.77878	1.5
374.90558	2.9
375.14331	23.3
375.21658	5.2
375.24466	4.5
375.57684	3.9
375.91415	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	374.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01854	5.0
56.22497	1.5
57.03424	2.8
57.38103	1.4
64.97800	1.5
65.03921	2.1
69.03423	16.4
69.94769	1.5
70.92667	1.8
70.92995	3.7
71.04982	2.0
73.02887	4.7
79.05415	1.8
81.03404	10.0
81.07066	1.7
84.04502	1.5
84.08121	1.7
85.02894	41.4
86.09690	4.2
87.00821	19.0
91.05468	100.0
92.05779	2.0
93.07007	2.4
97.02876	15.8
99.04427	5.1
105.01859	27.3
105.07007	3.4
108.04443	3.1
109.02837	13.1
123.04423	2.1
127.03892	36.6
129.06964	1.8
133.06493	2.6
137.05933	2.5
145.04927	19.9
145.06445	2.7
147.02847	3.6
151.03867	5.0
159.02908	8.9
171.07999	1.8
175.07510	3.1
177.05469	1.8
177.09061	2.2
189.03940	2.5
199.07501	2.4
205.08502	2.3
212.07347	9.9
217.08604	2.9
222.11259	3.3
230.06573	1.9
231.04939	9.3
243.13222	2.0
249.05986	3.0
256.92975	1.7
374.15570	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	375.107
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.01857	0.4
55.05492	0.6
67.05481	1.3
69.03414	0.6
69.07053	1.7
70.06568	1.1
71.05005	0.5
71.77718	0.6
72.19920	0.3
79.05467	1.0
81.07037	1.9
83.08588	0.5
85.02879	0.6
85.06528	1.0
91.05450	1.6
93.07024	1.7
93.89563	0.4
95.04951	0.8
95.08597	1.6
96.82272	0.4
97.02855	0.4
97.10154	0.5
105.06995	0.9
107.08561	2.3
109.06461	0.4
109.10138	1.2
111.04408	0.5
119.08554	0.9
121.10114	1.1
123.04391	0.4
123.08065	0.5
123.11694	0.9
133.10112	0.8
135.11694	1.2
137.05928	0.6
137.09546	0.7
139.03870	1.2
159.11694	0.4
163.11151	0.4
167.07101	0.8
172.05174	0.4
175.03833	0.7
177.16397	0.5
180.45238	0.3
183.02849	0.4
187.03873	6.2
191.07053	0.4
199.04579	0.4
200.04561	0.4
201.05426	0.5
204.04207	1.0
205.58887	0.4
213.18492	0.6
215.03343	8.2
215.05190	0.7
219.06519	0.8
219.29810	0.4
220.16966	0.9
222.18350	0.6
229.04968	0.9
230.05719	7.6
231.02869	1.1
237.11182	0.7
238.17975	1.3
240.19550	1.9
243.02812	1.6
243.06548	1.5
246.05385	0.5
247.02341	0.9
247.06071	0.5
258.05209	21.2
260.03101	4.2
261.03967	4.0
262.04581	0.5
274.04596	0.6
275.02036	0.9
275.05447	13.0
285.03845	1.0
286.04681	26.1
287.01843	1.3
287.05179	1.3
288.02603	4.7
289.03336	7.5
290.04132	7.8
301.03537	0.7
303.04950	44.7
303.23004	0.8
304.05695	27.8
305.06448	8.5
321.24225	1.1
343.08167	0.7
357.05911	1.0
357.09814	0.6
357.20535	0.6
369.23587	0.6
374.57098	1.3
374.77640	0.8
374.90591	1.1
375.10696	100.0
375.57794	1.1
375.91324	0.9
376.10938	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
53.29705	0.6
55.01851	1.1
55.96008	0.7
57.03413	1.0
57.53764	0.7
60.04508	0.9
61.02905	2.3
61.90630	0.6
69.03434	5.7
70.06569	1.0
71.04959	1.3
71.77422	0.9
73.02879	0.7
79.05457	1.3
81.03403	2.5
81.05727	0.7
84.04453	0.7
84.08112	0.8
85.02405	1.1
85.02892	18.1
85.71259	0.7
86.09678	1.1
89.03892	5.1
91.03963	0.8
91.05486	0.8
95.08523	0.8
96.08134	4.2
97.02879	5.7
99.04470	0.7
100.49998	0.8
105.03357	1.9
105.07031	0.8
106.03677	1.0
107.04934	0.9
109.02878	2.1
114.03716	0.7
117.03367	12.5
120.08100	1.4
122.09651	2.3
124.07600	0.8
126.76726	0.7
127.03979	3.4
131.84067	0.8
134.03661	0.8
134.06003	6.6
135.04411	4.0
137.05984	0.8
145.02832	42.9
145.04919	3.9
146.03171	1.8
147.03368	0.9
148.07567	2.2
149.05975	6.6
152.07048	49.9
163.03891	15.7
164.04240	6.3
165.04413	5.3
166.08554	1.3
169.63844	0.7
177.05450	100.0
178.05797	3.3
179.07068	0.8
180.07285	1.1
180.08681	2.2
194.08107	56.2
195.06506	61.1
196.06844	2.1
212.06865	2.1
212.09137	4.2
212.16557	1.2
231.03091	1.2
329.06125	1.1
357.05835	2.6
357.10342	0.7
374.11899	3.5
374.21646	2.2
374.56958	1.3
375.06830	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	373.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01868	2.4
55.05491	5.7
57.03415	2.2
57.06792	1.8
57.07060	20.1
67.05495	9.1
68.35290	1.2
69.03421	6.3
69.07055	8.8
71.04978	10.5
71.81804	1.4
78.48466	1.0
79.05479	9.9
81.07055	8.1
83.01323	5.5
83.04967	12.6
83.08619	2.7
85.06511	5.3
87.04448	1.4
91.05460	13.0
91.48295	1.1
93.07027	48.7
94.07355	1.3
95.04954	10.6
95.08588	10.5
97.06491	3.1
97.10161	2.0
98.26189	1.0
99.04434	2.6
99.73695	1.1
103.05423	1.2
105.07011	21.6
107.04926	1.7
107.08575	37.5
109.02866	2.2
109.06470	4.1
109.10137	12.3
111.08073	5.3
111.71515	1.0
113.06012	2.0
115.05473	1.3
117.07000	2.5
119.04932	1.9
119.08559	9.7
121.06485	11.8
121.10124	100.0
122.10956	2.7
123.08048	9.2
123.11668	4.3
125.05952	2.4
125.09578	1.4
127.07517	1.3
128.06218	1.5
129.06978	1.7
129.17747	1.1
131.08560	5.4
133.06456	2.9
133.07465	1.2
133.10077	3.5
135.08070	5.4
135.11670	38.2
137.09589	7.1
137.13205	2.5
139.03900	1.3
141.05505	1.7
142.07715	1.8
143.08485	2.3
145.10081	11.4
147.08009	2.5
147.11626	3.5
147.78641	1.0
149.09592	5.6
151.07497	4.7
153.05435	3.8
153.09227	1.0
155.08466	1.9
155.10641	2.1
157.06424	1.1
157.10077	3.3
158.07326	1.2
159.08029	9.9
159.11671	2.5
161.05896	1.5
161.09586	1.8
161.13190	1.4
163.07504	2.2
163.11159	56.4
165.05463	6.2
165.12701	1.7
166.05762	1.9
167.10654	31.5
169.04993	3.7
169.08569	6.3
169.10106	4.5
171.08012	5.3
171.11644	1.8
173.06050	1.2
173.09595	8.8
173.13246	1.4
174.87029	1.1
175.07625	1.3
175.11131	3.7
177.05446	3.6
177.09030	5.5
179.07086	1.4
181.08600	1.8
183.11678	1.6
185.09517	1.7
187.07430	1.1
187.11215	2.1
189.09035	2.1
189.16299	2.1
191.06943	5.5
191.10658	5.6
193.04991	1.6
193.08536	2.1
195.02896	2.0
199.11115	1.6
201.09161	3.3
203.10614	2.0
203.14107	1.5
204.07846	1.1
205.05217	1.2
205.08598	5.0
205.12212	3.1
207.17406	2.9
209.08017	3.2
209.13348	1.8
209.15250	2.1
211.11136	4.2
211.14809	3.9
211.16711	1.2
213.09076	2.6
215.10580	1.7
217.08546	2.6
217.12256	1.9
219.10136	33.1
219.13681	2.8
219.17479	4.0
220.10449	1.8
223.14876	1.6
227.10696	1.8
229.12318	2.0
229.15828	22.7
229.18045	1.6
231.10077	1.8
231.17329	2.6
233.08011	11.3
233.11620	1.5
235.09534	2.1
237.11154	31.8
237.14842	2.6
238.11534	1.7
243.13733	2.8
245.11784	2.9
245.15286	2.1
247.13373	1.7
251.09018	6.3
253.12149	2.1
257.11752	1.5
261.11282	1.2
263.12759	4.1
265.14288	1.2
267.13663	2.0
269.18991	1.8
270.12109	1.4
271.13303	8.4
283.13297	2.6
285.14771	3.1
285.21930	1.8
287.20016	4.1
289.14288	17.8
295.13443	2.0
297.14807	4.0
301.14362	1.6
303.15793	3.3
313.14377	2.6
313.17819	2.6
315.15994	2.7
315.23206	10.4
319.16895	1.9
325.17902	1.8
327.19550	2.0
329.17737	1.5
331.15411	1.9
337.18011	8.8
338.18448	1.6
341.17300	2.6
343.19028	3.1
355.19025	27.0
355.26236	4.8
356.19284	3.4
373.20016	83.1
373.26779	5.1
374.20349	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	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.68007	0.9
55.01868	1.1
55.05496	3.0
57.03426	1.5
57.07063	1.2
59.05000	1.1
67.05481	5.2
69.03408	2.9
69.07066	2.9
69.71262	1.6
69.71667	6.6
71.04981	2.3
79.05469	2.5
81.03405	2.1
81.07047	7.4
83.04975	1.8
83.08589	2.9
85.02888	12.3
85.06534	1.7
91.05462	1.6
93.07041	5.9
95.04958	1.4
95.08592	12.7
97.02890	3.0
97.06525	3.3
99.04454	1.0
99.08076	1.2
105.07010	4.3
107.08591	9.1
109.06480	4.1
109.10135	25.1
111.08074	10.7
113.05993	1.0
119.08578	15.4
121.10124	7.5
123.04462	1.3
123.08035	11.3
123.11697	4.3
125.09559	1.4
127.03887	2.7
131.74094	1.0
133.10100	13.2
135.11679	16.5
137.08614	1.9
137.09601	26.0
137.13242	2.2
138.10400	2.1
139.11153	1.8
145.04948	2.8
147.11636	2.4
149.13231	4.8
151.03917	1.6
151.11177	1.4
151.14815	3.3
163.07561	1.1
163.34073	0.9
165.12735	4.3
165.16353	1.6
175.11285	1.2
175.14806	25.1
193.15889	19.3
211.16902	100.0
212.17245	3.7
264.84055	1.0
293.24176	1.2
296.99142	1.1
361.69989	1.0
362.19083	1.1
373.17609	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	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66182	1.3
55.05502	8.1
56.96547	1.8
57.07054	2.4
59.22139	1.4
61.02898	2.5
67.05495	16.5
69.03423	10.1
69.07060	12.1
69.66457	13.3
71.04975	4.5
79.05468	6.4
81.03411	1.9
81.07043	21.5
83.04968	13.0
83.08607	7.4
83.15024	1.5
85.02886	11.4
85.06537	3.1
87.98158	1.4
91.05469	6.2
93.07031	11.8
95.04929	3.2
95.08594	31.7
97.02864	2.0
97.10181	1.5
98.21528	1.7
99.08072	3.7
103.05454	1.9
105.07006	10.2
107.08577	24.5
109.06500	9.0
109.10142	94.9
110.10470	2.4
111.08052	3.3
119.08560	41.0
120.08806	1.8
121.10124	16.2
123.04395	3.7
123.08031	12.3
123.11665	10.9
124.04755	2.9
127.03911	2.2
133.10110	24.0
135.11674	100.0
137.05960	3.0
137.09602	18.3
139.03970	2.9
142.42229	1.3
145.04886	1.9
145.10063	2.8
147.04341	3.1
147.11652	3.9
149.13246	5.8
151.03917	5.3
151.11147	8.8
151.14801	13.6
152.04167	3.9
153.04341	2.8
153.12744	3.3
161.05968	2.7
163.07513	1.7
163.14777	3.6
165.05473	1.4
165.12592	1.9
165.16377	2.6
166.05862	1.5
167.07036	5.6
173.09563	3.7
175.07451	1.7
175.14792	50.4
176.15225	2.6
177.05431	2.4
189.09065	1.8
193.04962	1.6
193.08585	2.8
193.15855	74.3
194.16243	1.7
205.08498	1.5
211.16899	96.8
212.17200	2.8
219.10072	1.7
220.10516	2.2
221.10739	3.6
235.09776	1.8
264.06989	1.5
309.11575	1.4
364.71689	2.9
369.12042	2.8
373.13004	3.3
373.18005	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	373.2004
Annotation	Recedensolide
Peak:m/z	Relative Intensity
53.00308	0.1
53.03934	0.2
55.01865	0.2
55.05502	0.5
57.03427	0.4
57.07066	31.1
58.07407	0.3
63.91695	0.1
67.01862	0.3
67.05495	1.9
68.24577	0.1
68.99783	0.1
69.03422	0.6
69.07061	0.4
70.50400	0.1
74.33056	0.1
77.03905	0.2
79.05485	1.2
81.03416	0.2
81.07034	1.2
83.01320	1.8
83.04963	0.2
85.02889	0.4
85.06528	2.2
91.05463	2.9
93.06434	0.2
93.07024	2.6
95.04961	0.3
95.08591	11.4
96.08941	0.2
97.02866	0.5
98.20653	0.3
99.04422	0.2
103.05408	0.2
105.07014	5.7
107.04952	0.3
107.08577	12.3
108.08921	0.2
109.02880	0.1
109.06507	0.7
109.10131	1.6
111.08086	0.3
115.03925	0.2
117.07001	0.4
119.08548	1.0
121.06502	0.4
121.10126	3.8
123.04420	1.1
123.08074	0.4
125.02339	0.3
125.06019	0.1
127.03954	0.2
128.06233	0.2
129.06975	0.2
130.07764	0.3
131.08554	0.9
132.60762	0.1
133.10109	12.2
133.80292	0.2
134.10527	0.2
135.04340	0.2
135.07973	0.3
135.11673	0.4
137.05936	0.4
137.09641	0.1
139.03874	0.3
139.07483	0.2
141.05399	0.7
142.07796	0.1
143.03398	0.4
143.08557	0.4
145.06450	0.9
145.10112	2.5
145.11902	0.1
147.08041	0.2
147.11681	1.2
149.05968	0.4
151.03897	1.4
151.07599	0.2
153.05400	0.9
155.03387	0.5
155.08530	0.7
156.09323	0.2
157.10115	0.5
159.08052	0.5
159.11668	0.4
161.05887	0.2
161.09622	0.2
163.03868	0.7
163.07538	0.4
163.11186	0.4
165.05463	0.6
167.07018	0.5
167.08514	0.2
168.09367	0.1
169.04935	48.6
170.04338	0.1
170.05322	1.0
170.06682	0.1
171.08017	0.2
171.11755	0.2
173.09592	9.8
174.09972	0.4
175.07501	0.1
175.11160	3.7
176.11601	0.2
177.05444	5.8
178.05821	0.2
179.07036	0.2
181.04939	0.4
181.10025	0.2
182.10834	0.2
183.06500	1.6
183.08060	0.3
183.11659	0.2
185.09637	0.3
187.07533	0.5
187.11186	0.6
189.09056	0.2
191.06989	1.3
192.09377	0.3
193.04926	1.3
193.08751	0.1
194.05721	0.2
195.06500	5.8
195.07851	0.3
196.06946	0.2
197.07965	0.2
197.09593	0.2
197.13231	1.4
199.14851	0.1
201.09108	1.2
203.06961	0.2
203.10568	0.2
205.08556	0.4
207.06491	0.9
207.11681	0.4
209.08005	0.9
210.10353	0.2
211.07513	0.6
211.11092	0.2
213.09167	0.3
215.06950	0.3
215.10680	0.5
215.14255	0.5
217.08429	0.2
219.06511	0.3
219.10143	0.2
220.07208	0.2
225.09268	0.2
225.12749	2.3
226.09515	0.1
227.06946	0.3
229.08595	2.8
229.12175	0.3
230.08829	0.2
232.07323	0.2
233.08052	4.5
234.08665	0.4
235.09473	0.2
238.09805	0.3
242.09319	0.2
243.10110	1.0
243.13797	2.9
246.08882	0.2
247.09622	13.8
248.10022	0.5
251.09253	0.2
253.10434	1.4
253.12279	2.0
256.10858	0.4
261.11145	1.3
261.14807	0.5
271.13245	11.2
272.13605	0.5
279.12122	0.2
287.13049	0.1
289.14291	100.0
290.14636	5.1
290.17880	0.1
309.18567	0.2
313.17569	0.2
327.19623	0.2
331.15329	1.2
333.87299	0.1
337.17719	0.3
343.07922	0.2
355.18970	0.7
373.20044	29.6
374.20322	1.8
381.81992	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	373.1489
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01856	5.7
55.36388	2.1
57.03411	10.1
57.07070	12.6
61.02905	4.0
67.05496	11.5
70.97035	6.6
81.03403	4.0
81.07035	6.4
85.02888	14.3
85.06538	24.8
91.05437	4.9
94.96674	2.2
95.08628	2.3
97.02887	4.6
99.08056	2.7
100.15482	2.0
103.03929	10.8
105.07021	3.7
107.04943	2.5
109.02870	6.1
109.06487	3.8
113.25137	2.1
119.04858	3.7
123.04420	6.7
123.08095	3.2
127.03908	3.0
127.07523	3.6
131.08521	2.8
135.04390	4.1
135.07993	3.6
138.86539	2.0
143.08565	3.1
145.06444	4.1
147.04395	32.2
147.08064	4.6
149.06006	2.9
151.03853	9.2
159.08064	3.4
161.06056	11.5
161.07170	2.2
161.09578	4.4
163.03844	5.5
163.07545	7.2
165.05418	3.6
171.08002	4.0
173.05960	5.8
175.03888	3.3
175.07480	7.5
177.05470	7.3
177.09030	5.5
179.03291	3.6
187.07469	7.3
189.05443	5.5
189.09094	27.3
191.07014	5.7
192.04120	3.9
193.04936	9.0
193.08582	6.1
199.07533	5.8
201.05432	3.8
201.09100	3.3
203.06946	3.4
203.10663	6.0
205.08598	36.6
207.10158	3.8
211.09584	15.0
214.06227	2.6
215.07019	3.6
217.05080	3.2
217.08571	37.5
223.09619	55.7
227.07036	2.5
229.08574	17.2
230.05579	2.5
231.06421	2.6
231.10016	10.4
235.09616	89.3
235.12015	4.7
236.10077	4.0
241.08553	2.6
243.10146	6.3
245.08000	3.4
246.03404	2.3
247.09579	8.7
249.11096	3.2
253.08105	4.0
253.10698	69.0
254.11076	2.7
259.09656	17.5
271.09634	31.9
273.11127	6.3
277.10663	100.0
278.10916	4.6
283.09549	17.0
287.54352	2.7
289.10651	74.3
290.10999	4.2
301.10669	37.9
307.11642	14.0
319.08170	3.2
319.11755	37.4
337.12708	30.2
338.13181	3.9
355.13821	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	373.149
Annotation	multifidol glucoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01858	0.7
55.05495	0.9
57.03431	1.2
57.07059	1.7
58.74807	0.3
59.40889	0.3
61.02922	0.4
65.03923	0.7
67.05157	0.6
67.05493	9.9
68.09409	0.4
68.99780	0.9
69.03400	1.3
69.07038	0.6
69.56544	3.6
71.04949	0.4
79.05470	0.9
81.03391	1.5
81.07047	3.6
83.01324	0.7
83.04967	0.8
85.02892	2.8
85.06531	26.3
86.06818	0.4
91.05463	0.5
91.10285	0.3
93.07042	0.7
95.04958	1.1
95.08556	0.8
97.02868	0.9
97.06520	0.5
99.08074	0.5
105.06995	0.8
107.04971	0.4
107.08592	1.2
109.06508	8.1
111.00779	0.4
113.05981	1.9
119.08562	1.2
121.10148	0.8
123.04408	9.2
123.08050	4.0
125.09583	2.1
127.03896	3.0
127.07537	11.5
129.06909	0.5
135.11771	0.4
137.05945	2.5
137.09587	0.8
139.03886	3.4
145.04868	0.4
147.08025	0.9
149.05954	1.1
151.03874	2.1
151.07523	2.8
153.05443	1.2
155.03389	3.1
155.06999	0.8
158.06235	0.4
158.65741	0.4
160.05113	0.6
164.04677	0.8
165.05455	1.1
165.09093	9.1
167.07051	0.6
169.08580	2.1
173.09544	0.5
175.07538	4.1
178.06232	0.5
179.03122	0.3
187.07539	0.4
193.08580	38.3
194.08948	1.2
211.09627	100.0
212.09908	2.8
233.07883	0.5
235.09703	0.4
251.09216	0.4
269.04376	1.4
283.05682	0.5
285.10172	0.5
316.35400	0.4
355.07925	0.7
355.11627	0.6
355.19098	0.6
373.09070	1.4
373.13574	0.6
373.19794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1488
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
55.01859	7.9
55.05497	10.3
57.03413	9.8
57.07059	13.4
61.02907	5.7
61.09167	3.1
67.05505	18.1
69.03408	8.1
70.06542	5.5
71.03312	8.7
71.03645	3.1
79.05477	5.2
79.82079	3.0
81.03394	11.5
81.07037	8.1
83.04969	5.4
85.02898	22.5
85.06535	29.6
86.09689	6.1
91.05463	10.1
93.07011	7.1
95.04948	14.8
95.08557	5.4
95.80434	3.5
96.87125	3.2
97.02871	6.5
99.08068	10.6
101.11559	3.7
103.03904	11.5
103.05460	3.5
105.03391	15.6
105.06978	9.9
107.04920	6.4
107.08580	8.3
109.02909	7.5
109.06505	6.0
109.10116	6.8
111.04452	5.2
117.06977	4.2
119.04927	5.8
119.08535	6.0
121.02838	4.7
121.06464	6.3
123.04389	14.8
127.03884	4.4
129.06992	3.8
131.08521	5.7
133.06488	4.0
133.10136	8.9
135.04407	9.2
135.08009	9.6
135.11694	5.2
137.06029	19.9
137.09630	7.2
145.06465	10.3
147.04384	29.8
149.05981	6.9
151.03903	8.5
151.07521	3.5
158.03568	3.7
159.04424	4.3
160.05208	5.1
161.05995	10.0
161.09598	10.0
163.03876	9.8
163.07509	6.5
165.05487	6.9
167.07051	4.9
171.02055	11.4
171.07991	4.9
173.05974	12.8
175.07498	13.1
177.05429	10.6
177.09036	8.5
179.03363	8.7
179.06932	8.1
183.15735	3.9
187.07457	4.6
189.05473	6.1
189.09091	26.3
191.03326	4.6
191.07007	7.6
193.04950	7.9
193.08585	9.7
193.15845	11.4
199.07515	7.6
201.05447	44.6
203.07062	3.6
203.10675	3.5
205.08574	46.1
211.09572	22.5
211.13162	3.4
211.16977	5.3
213.05429	3.8
213.09026	4.3
217.08571	35.9
219.06529	7.8
220.30595	3.4
223.09607	52.3
227.10674	3.5
229.08589	14.7
231.10114	14.4
235.09622	100.0
236.09952	4.8
237.09129	4.1
241.08794	4.1
243.10069	6.8
245.08189	3.9
247.09605	7.5
249.11266	5.4
253.08167	6.4
253.10672	66.8
255.10249	5.1
259.09650	26.3
271.09622	35.0
277.10687	89.1
282.78491	4.2
283.09634	20.9
289.10687	76.5
290.10922	4.2
295.08795	3.7
301.10675	37.3
307.11661	10.5
319.11694	36.7
325.10651	14.4
337.12823	30.0
338.21283	3.7
355.14291	18.8
373.18192	16.8
373.25037	4.8
389.76367	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.01857	5.4
55.05495	6.6
56.69482	2.7
57.07050	11.9
61.02902	4.6
61.22084	2.5
67.05492	19.5
68.99797	6.0
69.03413	10.1
69.07048	6.3
69.52705	7.8
69.53124	22.3
71.04968	7.0
79.05468	8.6
81.03406	11.8
81.07009	7.8
83.04959	8.4
83.08597	5.0
84.65470	2.7
85.02890	15.8
85.06512	6.0
91.05456	20.6
93.07034	19.4
95.04969	23.6
95.08586	10.9
97.02870	5.9
97.06505	9.3
101.02338	2.9
103.05428	4.6
105.03368	5.4
105.07014	26.5
107.04988	3.7
107.08595	9.3
109.06489	7.3
109.10146	13.0
111.04440	32.8
111.08042	11.2
113.05963	3.2
115.05438	8.0
116.94968	2.8
117.07006	13.4
117.66179	2.8
119.04900	4.3
119.08551	10.2
121.06475	14.5
121.10106	10.6
123.04416	36.2
123.08041	6.5
123.11722	4.3
124.05205	4.0
127.03928	5.3
128.06204	6.0
129.06995	14.1
131.04919	8.2
131.08537	8.5
133.06454	8.2
133.10123	5.1
135.04430	4.3
135.08028	9.4
137.05934	20.8
139.03893	43.5
139.07501	13.8
139.94629	2.9
143.08624	3.6
144.05682	3.7
145.06454	12.6
145.10086	9.0
145.33543	2.9
147.04338	4.8
147.08003	9.1
147.11632	5.8
148.05135	3.2
149.05962	8.6
149.09644	5.7
151.03891	32.4
151.07494	6.0
152.04286	3.2
153.05432	6.3
157.06425	7.1
159.07988	5.3
159.11720	3.7
161.05966	13.8
161.09595	9.6
163.03894	9.7
163.07530	7.6
163.11160	6.2
165.05521	4.6
165.09111	5.2
171.08063	3.1
173.05943	5.2
173.09592	37.0
173.11060	3.0
173.11742	5.5
174.06801	6.8
175.03763	4.1
175.07529	15.4
175.11142	11.5
177.05460	13.0
177.09056	10.9
181.08546	4.5
183.06538	3.9
189.05438	9.4
189.09070	25.5
190.06224	4.5
191.03371	4.5
191.07019	12.5
192.04099	3.6
193.04984	10.0
198.06758	4.1
199.07559	3.9
201.05466	10.7
202.05962	4.1
203.07054	23.4
204.07573	3.3
205.05046	3.5
205.08588	25.8
207.06445	5.1
207.10020	6.2
208.08817	3.7
211.07574	7.8
213.05534	3.9
213.09030	4.2
215.07021	5.8
215.10632	4.5
216.04129	14.1
217.04875	3.5
217.08490	12.7
219.10141	4.8
221.06117	3.9
221.08038	7.1
224.08209	3.9
225.08954	3.7
227.07069	6.8
227.09047	6.8
228.07721	3.9
229.04930	12.7
229.12167	5.8
231.03221	3.1
231.06488	39.6
233.08107	5.4
234.08771	6.4
235.09637	15.8
237.05421	5.0
238.06284	3.7
239.06972	6.9
241.05016	3.2
241.08513	4.2
242.05643	5.4
243.06487	6.7
244.07216	10.0
249.07515	6.4
251.06958	4.3
252.07666	6.5
253.04906	7.2
253.08525	5.0
255.02919	6.2
255.06348	13.9
257.04495	4.2
257.08029	6.5
259.06067	8.6
259.09622	33.4
265.05051	4.2
266.05798	4.4
267.06531	23.5
267.10114	20.1
269.08035	7.3
270.08743	7.6
271.02338	16.3
271.05948	10.2
271.13196	14.0
273.03885	8.0
280.07346	9.8
281.08148	3.4
283.02438	5.8
283.05963	15.0
283.09171	4.5
285.07678	10.3
285.11139	11.1
287.05399	5.1
287.08994	4.1
295.05936	14.4
295.09622	24.3
296.10281	3.6
297.07578	6.7
298.08401	23.9
299.05469	44.2
299.08752	4.8
299.12747	8.8
301.03433	17.1
302.03345	4.6
313.06946	7.7
313.10513	4.2
313.17737	4.0
323.05475	6.0
323.09070	12.0
326.07825	9.8
326.11353	3.5
327.08414	9.0
327.12155	66.4
338.11285	3.4
341.06488	88.9
342.06866	9.3
355.07379	7.1
355.11719	100.0
355.18878	11.8
356.11923	6.2
373.08926	17.5
373.13019	6.3
373.19415	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	373.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05520	1.3
56.05013	1.2
67.05482	1.4
69.03407	1.7
69.07033	1.3
70.06575	1.4
70.43544	2.0
70.43946	1.8
71.04996	1.5
72.08141	1.1
78.30369	0.9
79.05470	1.7
81.07069	2.1
85.02888	3.8
86.09698	3.1
91.05459	10.3
93.07034	3.9
94.04189	1.3
95.04978	3.3
95.08612	1.1
99.08091	2.8
103.05482	1.8
105.03385	1.0
105.07024	3.7
105.40565	0.9
107.04948	1.4
107.08592	1.2
109.02857	1.0
109.06492	1.8
115.05458	5.3
117.06989	3.0
119.04907	6.2
121.02808	1.0
121.06506	1.9
121.10143	1.5
122.03629	4.7
123.04395	1.7
123.11639	1.2
124.05205	2.1
125.05997	0.9
129.06989	1.1
130.04131	2.3
131.04942	2.7
133.02834	3.1
133.10121	4.5
135.04396	3.0
135.08055	0.9
135.11649	1.4
137.05959	43.4
143.04889	1.8
145.06470	6.6
147.04402	9.0
149.05969	3.3
150.06720	4.7
151.03879	2.0
151.07486	1.1
158.03624	5.6
159.04341	1.3
160.05183	1.7
161.05984	3.9
162.06749	3.1
163.07573	2.3
165.05547	1.3
165.06992	1.0
167.07048	1.0
173.05951	18.5
173.09694	1.3
175.03886	3.4
175.07521	3.1
177.05437	4.9
177.06889	1.7
178.07648	1.0
179.07072	2.1
179.08490	1.3
186.03133	6.1
189.05446	1.1
191.06992	1.5
193.04953	2.7
193.15880	2.2
194.05389	2.0
194.07156	1.4
201.05440	100.0
202.05833	4.0
203.03419	0.9
203.07004	2.6
205.06496	6.8
206.07097	1.2
207.06419	1.8
210.06801	1.0
211.07567	1.1
211.13124	1.2
211.16782	1.9
219.06419	13.0
221.05948	3.9
222.06737	4.0
223.07439	1.0
229.03702	2.3
231.03036	1.2
231.06444	1.8
233.05975	6.8
234.06752	3.3
235.07562	1.4
237.09062	5.6
239.07040	1.1
246.06689	0.9
247.07625	2.0
249.05527	1.0
249.09056	1.1
250.06268	6.2
251.07018	2.1
253.08679	1.8
262.06143	2.9
263.06897	1.5
264.07614	1.8
265.08521	12.4
266.08908	1.2
277.08545	3.1
278.05801	2.7
279.06348	2.1
281.08020	1.2
283.09546	1.7
290.05652	2.1
292.07224	5.5
293.08017	10.7
294.08646	1.4
297.11121	4.5
299.12671	1.3
305.08136	3.2
307.06122	1.2
307.09604	14.8
309.11063	1.9
310.08414	2.5
311.08963	1.3
322.08502	0.9
323.09125	2.3
325.10675	37.7
326.11072	1.4
337.10669	5.2
343.11722	3.1
355.11728	12.1
355.19064	0.9
360.85141	1.2
373.08139	1.5
373.13971	2.2
373.18274	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	372.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00526	0.5
63.49294	0.5
67.61987	0.4
68.43425	0.6
69.52039	3.2
69.52462	1.9
74.35088	0.6
79.05468	0.8
89.03910	4.0
107.04939	1.8
117.03381	4.9
128.39754	0.5
135.03348	0.7
135.04390	13.7
145.02837	9.2
148.57307	0.6
160.38002	0.5
163.03886	100.0
164.04182	3.2
179.03355	1.1
181.03773	0.5
185.01683	0.4
193.07076	0.8
251.48503	0.5
377.22498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1125
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
50.33120	0.6
51.02359	0.6
53.03932	2.5
53.10506	0.6
56.53899	0.5
57.03422	1.5
58.59990	0.6
67.05497	0.8
69.03404	1.2
71.01334	0.8
71.38388	1.3
73.02905	1.5
77.03902	0.8
79.05471	1.6
83.04987	0.7
85.02889	5.5
85.06509	1.0
86.09718	1.0
93.07030	0.8
95.01324	3.0
95.04963	5.3
95.08597	1.0
99.08086	1.7
100.11246	0.6
103.03938	0.7
105.03378	100.0
106.03725	2.5
107.04900	0.7
107.08572	0.6
109.10125	0.9
113.02384	1.6
123.04403	4.7
131.03416	0.8
133.10115	1.9
137.05942	1.0
137.09656	0.7
141.01802	5.3
147.04453	1.2
171.02138	0.8
175.07608	1.0
175.14842	0.8
179.03433	1.1
179.07008	29.8
180.07408	1.0
188.06911	0.6
193.12138	0.7
193.15907	1.7
193.98607	0.6
194.89363	0.5
197.08070	17.0
201.05440	2.0
205.08476	0.7
210.14905	0.6
211.16875	1.5
234.55196	0.6
235.09644	2.1
253.10712	1.0
256.66788	0.6
277.10666	1.8
289.10690	1.4
294.44174	0.5
301.10684	0.8
325.10596	0.6
373.18298	2.1
390.65518	0.6
396.11633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2215
Annotation	CYlindrol B
Peak:m/z	Relative Intensity
53.03928	2.1
55.01850	3.5
55.05496	4.8
57.07062	4.2
59.04993	1.3
60.26778	1.0
64.66659	1.1
65.03902	1.6
67.05502	10.5
69.03420	7.0
69.07059	14.2
71.04999	1.5
73.06544	4.7
79.05482	12.1
79.58044	1.1
81.07057	11.0
83.01331	13.6
83.04974	4.5
83.08601	1.6
85.06536	2.0
87.04453	1.4
91.05458	15.2
93.07027	21.8
95.04948	3.3
95.08617	10.7
97.06499	2.6
97.10149	2.3
101.58342	1.2
103.05437	1.6
105.06335	1.6
105.07024	25.5
107.04930	1.7
107.08587	30.0
108.08938	1.2
109.06503	6.1
109.10146	17.9
111.08055	4.0
115.05450	1.5
117.07002	5.0
119.04916	3.2
119.08559	18.0
121.06491	4.8
121.10133	31.5
123.04405	3.8
123.08046	4.0
123.11695	12.1
123.91817	1.0
125.05980	2.4
128.06171	4.2
129.06990	3.9
130.07787	3.1
131.08548	6.7
133.06494	5.0
133.10123	22.4
135.08052	12.3
135.11681	47.7
136.12029	2.2
137.05951	2.8
137.09598	8.7
139.11139	3.3
141.05458	1.7
142.07761	3.1
143.08548	11.7
144.09273	1.6
145.06458	3.0
145.10109	9.7
146.07253	2.8
147.04366	1.4
147.08017	5.2
147.11682	9.2
149.09631	11.8
151.03871	3.6
151.07545	8.7
151.11177	2.1
153.05446	13.0
153.09073	3.1
155.03404	1.3
155.07014	1.6
155.08481	2.0
157.10097	5.4
158.07233	2.0
159.08031	4.7
159.11673	8.1
160.08835	3.5
161.05977	2.6
161.09621	25.0
163.07506	7.8
163.11125	2.5
164.13644	1.4
165.05484	16.0
167.06911	1.3
167.10657	2.8
169.10127	2.1
169.12170	3.1
171.08028	8.2
171.11731	2.1
172.08781	1.9
173.06010	2.2
173.09573	13.0
173.13255	1.7
175.07521	3.8
175.11150	16.2
177.05482	2.5
177.09065	4.2
177.12761	2.6
179.07097	2.6
179.10693	2.2
181.04988	1.9
181.08624	5.6
181.10004	1.7
182.10988	1.4
183.06512	3.0
183.08028	1.4
183.10179	1.3
183.11687	1.9
185.09593	3.3
187.07556	4.2
187.11157	4.5
188.08319	3.9
188.58739	1.2
189.05486	2.6
189.09081	19.6
189.12695	1.6
189.16338	2.8
191.07054	2.3
191.10651	2.8
193.12263	5.4
195.08023	1.3
195.11702	1.9
197.09709	1.2
197.13225	4.7
199.07555	4.2
201.09096	10.2
203.07037	4.3
203.10651	58.4
204.11005	3.3
205.08635	9.5
207.06480	3.7
207.10075	1.7
207.11847	1.8
209.13356	1.7
211.07524	1.6
213.09061	3.8
213.12779	1.5
215.06943	1.7
215.10655	5.1
215.14284	3.3
217.08577	24.8
217.12140	1.6
217.15807	6.9
219.10016	6.0
221.11711	15.2
223.11246	2.6
223.14842	1.6
225.12697	2.8
227.10727	2.9
227.14265	1.7
228.11394	1.9
229.08632	15.8
229.12233	4.6
229.46523	1.3
231.10118	13.5
237.11020	2.8
239.14198	1.7
240.70277	1.2
243.13800	13.7
245.11626	2.3
249.11188	19.7
250.11397	1.4
253.12222	3.6
253.15797	1.6
255.10080	1.5
255.13756	1.3
257.15472	1.9
265.19449	1.6
271.13248	46.4
283.13382	3.0
283.20334	2.8
285.14996	1.7
287.16360	12.2
289.14270	2.7
293.18842	6.6
297.22150	1.5
303.15775	11.0
311.19962	12.7
315.23114	2.5
321.18503	10.8
325.21582	6.2
325.36737	1.4
335.20135	1.7
339.19498	21.0
343.22714	13.5
353.21048	17.4
357.20395	2.2
371.18588	3.8
371.22147	100.0
372.22446	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	371.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
53.95931	0.4
55.01858	0.4
57.07067	8.7
65.03909	0.4
67.05478	0.6
69.03413	0.3
69.07038	1.4
69.83141	0.4
70.09383	0.3
70.35737	1.4
76.81661	0.4
79.05467	1.0
80.59760	0.3
81.03371	0.5
81.07049	3.9
83.01321	1.2
83.80872	0.4
84.25572	0.4
85.06551	1.0
91.05463	1.5
93.07053	2.1
95.04973	0.5
95.08592	0.5
105.06990	1.1
107.08560	1.2
107.09801	0.3
109.02852	1.3
109.06504	3.3
109.10136	1.7
119.04914	0.5
119.08548	0.6
121.10106	0.9
123.11689	13.4
127.03890	1.6
129.03819	0.4
133.10071	0.4
135.11678	1.9
137.05966	6.5
141.18332	0.4
145.10056	0.4
147.04414	0.5
147.11678	0.4
151.07541	0.5
153.05432	2.6
163.07483	0.5
165.05452	100.0
166.05754	3.0
167.07043	1.0
171.11633	0.4
173.09607	0.9
177.05377	0.6
179.06990	2.6
195.10213	1.0
201.09071	0.5
203.06944	0.8
205.08577	1.2
207.10139	5.0
213.09123	0.5
215.10707	0.5
217.08527	0.5
229.08540	1.4
231.10094	1.1
243.13722	0.5
245.11652	1.1
247.09962	0.4
269.15320	1.7
271.13287	4.3
287.16385	67.7
288.16656	3.2
291.15765	0.6
303.15735	0.4
339.19464	0.4
353.43362	0.4
371.22290	2.3
371.40695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.221
Annotation	CYlindrol B
Peak:m/z	Relative Intensity
55.01847	3.3
55.05486	5.3
57.07057	3.5
64.76267	1.6
67.05505	10.1
68.99770	1.8
69.03404	6.9
69.07050	10.6
71.04995	1.7
71.06001	5.0
73.06528	4.7
79.05476	11.5
81.07029	9.1
83.01321	11.1
83.04973	3.3
83.08584	1.7
85.06528	3.4
91.05460	14.9
93.06522	1.9
93.07036	24.5
95.04928	4.0
95.08582	9.2
97.06507	3.3
97.10162	1.8
105.06335	2.9
105.07009	33.9
107.04924	2.5
107.07834	1.9
107.08575	37.1
109.06470	5.1
109.09498	2.0
109.10136	17.7
111.04400	1.5
111.08061	6.2
115.05412	1.9
117.06989	6.7
119.06006	1.4
119.08582	12.9
121.02842	2.0
121.06465	5.7
121.10119	31.7
123.04405	5.7
123.08029	5.2
123.11651	12.6
123.14278	1.6
125.05976	2.3
127.03844	1.6
128.06151	5.7
129.06966	4.2
130.07756	2.9
131.08556	9.9
133.06444	6.5
133.10110	26.0
135.08034	13.9
135.11671	61.1
136.11998	1.7
137.02350	1.7
137.05905	3.2
137.09607	12.9
142.07748	3.3
143.08574	12.4
145.06413	4.8
145.10083	9.5
147.04366	2.0
147.08002	6.6
147.11658	10.0
149.09592	16.8
151.03873	4.6
151.07523	9.0
151.11072	3.8
153.05446	20.0
155.03223	1.9
155.08530	3.2
157.10068	8.4
158.07265	1.8
159.08023	3.4
159.11653	5.4
160.08801	2.3
161.05986	2.9
161.09583	24.6
163.07475	8.9
163.11180	3.8
165.05566	8.0
167.10655	5.3
169.10133	2.0
169.12209	6.6
171.08075	7.8
171.11688	1.8
173.09570	12.0
174.06712	2.5
175.07504	5.2
175.11153	20.3
177.09070	6.9
177.12724	4.2
181.08684	8.1
181.10080	3.0
183.06522	2.6
183.08054	1.7
183.11617	1.9
185.09584	6.5
187.07593	2.4
187.11115	6.4
188.08282	3.3
189.09073	24.4
189.16255	3.3
191.10609	2.4
193.12202	6.0
195.11703	3.2
199.07442	3.7
199.11043	1.8
201.09077	10.1
203.10634	71.8
205.08545	9.4
205.12064	2.7
207.06461	3.8
211.07527	2.0
215.10609	4.4
215.14238	3.3
217.08569	33.9
217.15817	6.4
219.10130	7.4
221.11658	19.9
223.11269	2.2
225.12762	1.8
228.11443	2.9
229.08569	12.8
229.12213	3.4
231.10072	15.4
237.11153	4.6
237.16260	1.9
241.12358	2.5
243.13783	10.4
249.11188	27.0
253.12227	2.7
253.16026	1.9
255.13800	2.7
265.19452	2.1
271.10504	3.0
271.13242	33.7
272.13635	2.4
275.17920	2.4
281.15344	1.8
283.20435	3.5
287.16354	6.3
289.14307	2.4
293.18979	9.8
295.16794	1.9
303.15735	9.4
311.16690	1.7
311.19901	9.0
321.18491	15.8
322.18826	1.9
325.21567	5.4
339.19455	19.0
340.19595	2.1
343.22717	13.6
353.17664	2.0
353.21072	16.5
356.57861	1.8
371.22098	100.0
372.22366	8.5
377.80176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
51.12653	0.2
53.03931	0.3
55.01866	0.3
55.05498	0.3
57.07066	8.0
58.07402	0.1
65.03931	0.3
67.05502	0.6
69.07048	0.3
69.80560	1.1
76.34657	0.2
79.05475	0.6
81.03405	0.6
81.06596	0.3
81.07044	3.0
83.01320	0.6
83.04964	0.2
85.06551	0.6
85.06961	0.1
87.38219	0.1
91.05479	1.1
93.07023	1.5
95.04948	0.5
95.08594	0.8
98.20741	0.2
102.50346	0.1
105.07001	0.4
107.08586	1.1
109.02865	1.5
109.06497	3.5
109.10146	1.0
111.04402	0.2
119.04908	0.4
119.08577	0.4
121.10159	0.3
123.11687	13.7
124.12051	0.2
125.09682	0.1
127.03890	1.4
133.10106	0.2
135.11670	1.5
137.05960	5.5
138.06334	0.2
139.03891	0.4
140.26041	0.1
145.10144	0.2
147.04327	0.2
147.11612	0.2
149.05945	0.1
149.38153	0.1
151.07501	0.7
153.05435	2.0
163.07552	0.6
165.05449	100.0
166.05771	2.8
167.06990	1.1
168.07332	0.1
175.07422	0.2
177.05489	0.3
177.09116	0.2
179.07022	1.0
183.06601	0.2
189.16347	0.2
191.06989	0.4
193.08591	0.2
195.10141	0.5
203.07021	0.4
205.08536	0.6
207.10147	2.6
207.17369	0.7
213.08936	0.1
217.08575	0.3
217.12009	0.2
219.10098	0.2
227.10666	0.3
231.10150	0.6
245.11725	0.9
259.16879	0.3
269.15347	1.6
270.15863	0.1
271.13284	0.4
285.14584	0.2
287.16367	67.3
288.16687	3.9
291.15787	0.2
371.22141	2.2
372.22479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
55.35851	0.6
56.66844	0.5
57.07056	1.0
64.94711	0.5
67.05489	1.5
69.03412	1.2
69.07060	15.3
71.60813	0.9
71.61167	0.6
79.05481	1.1
81.07039	1.5
83.01326	22.3
83.01820	1.4
91.05457	1.7
93.07025	3.1
95.04962	0.9
95.08566	1.8
99.04401	0.7
105.06995	3.3
107.08556	1.5
107.65821	0.6
109.06479	0.6
109.10149	3.2
115.05401	0.6
117.06986	1.6
119.04871	0.6
119.08524	2.5
121.06422	0.6
121.10110	7.0
123.07974	0.6
125.02312	0.8
128.06149	0.7
128.68129	0.6
131.08595	0.9
133.10104	1.3
135.14854	0.6
137.05974	1.0
142.07761	0.7
143.08542	0.9
145.06436	1.5
145.10110	3.1
147.08005	0.9
151.03833	0.7
153.06894	0.6
155.08452	1.7
156.09215	0.8
157.10123	2.5
159.08054	2.2
159.11635	1.3
162.52786	0.6
163.07445	0.9
163.11156	1.2
165.05553	1.4
165.06934	1.1
167.08545	0.8
169.10086	1.9
171.07973	1.2
173.05939	2.2
173.09587	17.9
175.07550	1.1
181.10133	1.2
182.10863	1.3
183.08034	2.0
183.11667	1.4
185.09593	1.7
187.07469	2.3
187.11169	1.8
187.21646	0.6
189.09018	1.0
191.07051	1.2
193.10138	0.7
195.06468	1.0
195.11690	2.2
197.13216	5.1
199.07422	0.8
199.11243	0.7
200.52554	0.6
201.09085	18.5
201.12704	1.1
202.09340	0.9
203.07063	3.2
207.11597	1.7
209.04445	1.1
209.09662	0.7
210.10344	0.8
211.07471	3.5
211.11139	0.9
213.09073	2.8
213.12611	1.3
214.06200	1.0
214.09705	1.1
215.07004	1.8
215.10664	5.0
215.14233	1.7
223.11197	2.1
225.09157	0.7
225.12730	3.4
227.06972	1.4
227.10652	1.7
227.14250	1.1
228.11383	4.6
229.08569	32.5
229.12076	6.6
230.08929	1.1
235.11249	0.8
237.09213	0.8
237.12682	0.7
239.14255	0.8
241.08585	1.5
241.12242	2.1
243.13779	20.0
251.08954	1.0
253.12222	4.9
255.13763	2.3
255.17322	0.7
265.15848	1.2
269.11621	1.0
271.13242	100.0
272.13678	2.9
283.13297	1.9
283.16843	1.6
285.14923	1.9
287.16403	2.4
289.14255	4.1
293.15326	2.0
293.18710	1.1
301.14359	0.7
303.15857	7.5
311.16602	1.2
311.19928	5.0
312.20367	1.0
321.18405	1.4
325.17834	1.8
339.15741	1.3
339.19482	12.8
340.19586	1.0
353.17285	1.7
353.21201	0.7
357.20486	1.8
371.18317	2.6
371.22369	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	371.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05498	2.0
57.07067	7.0
66.16029	0.8
66.38884	0.7
67.05491	2.0
69.03410	2.5
69.07062	14.7
71.81381	0.9
78.06629	0.7
79.05480	2.5
81.07029	4.2
83.01332	17.7
83.04943	0.9
83.08549	0.9
91.05447	2.0
91.72115	0.7
93.07012	3.5
95.04963	1.0
95.08583	3.1
99.04417	0.7
101.05995	0.9
102.32880	0.7
105.07016	3.3
107.08559	2.2
109.02879	1.4
109.06505	4.7
109.10127	3.6
117.07027	1.3
119.08592	1.9
121.06442	1.3
121.10145	4.3
123.11679	11.9
127.03884	1.9
129.06995	1.1
131.08556	1.3
133.10060	1.7
135.11664	2.9
137.05977	6.7
141.05428	1.2
143.08585	1.5
145.06456	1.0
145.10097	3.3
151.07532	1.8
153.05470	5.8
155.08510	1.6
156.09286	0.9
157.10123	2.3
159.08029	1.7
159.11662	2.3
160.00539	0.7
161.13251	0.8
163.11267	0.9
165.05461	82.3
166.05812	2.2
169.10130	1.0
171.08000	1.2
173.05942	1.6
173.09598	18.0
175.07512	1.8
177.05409	1.3
179.03450	1.1
179.07001	14.9
179.08456	1.3
182.10886	1.0
183.07996	1.3
183.11639	1.8
185.09575	1.6
187.07516	1.4
187.11192	2.1
187.14705	0.8
189.05505	1.9
189.09015	1.2
191.07028	1.9
197.13213	3.8
199.11156	1.5
201.09081	17.8
203.06990	4.6
205.08569	3.4
207.11726	0.9
211.07509	2.0
211.11156	1.0
213.09122	3.3
214.06313	1.1
215.07001	1.1
215.10645	4.6
215.14246	2.2
217.08578	1.2
219.10124	1.0
225.12691	3.5
227.10701	1.3
228.11440	4.1
229.08575	30.4
229.12013	4.8
231.10132	10.0
241.08589	2.4
243.13773	19.1
244.14037	1.1
245.11679	1.0
251.30305	0.9
253.12213	6.2
255.13747	1.2
256.10828	1.4
265.12271	0.9
269.11630	1.2
269.15479	0.8
271.13257	86.4
272.13632	2.7
283.13306	1.4
283.20407	1.2
287.16385	100.0
288.13779	0.8
288.16608	3.7
289.14340	6.3
293.19141	0.9
303.15897	8.7
306.43753	0.8
311.20081	5.6
321.18457	1.2
339.19516	15.1
357.20572	1.9
371.22076	12.9
375.18021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12068	0.1
53.03941	0.2
55.01613	0.1
55.01879	0.4
55.05505	0.2
57.07066	5.4
57.12299	0.1
64.68237	0.1
65.03931	0.2
66.06548	0.1
67.05502	0.5
69.03423	0.2
69.07033	0.2
71.81353	0.1
79.05483	0.7
81.03407	0.5
81.07043	3.1
83.01336	0.3
85.06538	0.3
91.05453	0.7
93.07040	0.6
95.04967	0.3
95.08596	0.6
105.07007	0.4
107.08563	0.8
109.02860	1.1
109.06502	3.2
109.10130	0.9
119.04916	0.4
119.08546	0.2
121.10120	0.4
123.04430	0.1
123.11687	11.6
124.12054	0.3
125.05995	0.1
125.09642	0.2
127.03899	1.6
133.10129	0.2
135.08031	0.1
135.11667	1.3
137.05959	5.2
137.09621	0.1
139.03819	0.1
143.08505	0.1
145.10077	0.1
147.04367	0.2
147.11656	0.3
151.07489	0.6
153.05453	1.8
163.07532	0.7
165.05450	100.0
166.05782	2.7
167.06993	0.9
175.07649	0.1
177.05406	0.1
179.07008	0.7
183.06522	0.1
189.09093	0.1
191.07072	0.1
193.08662	0.1
199.11269	0.1
203.07065	0.2
205.08533	0.2
206.08049	0.1
207.10173	0.2
207.17386	0.1
219.10083	0.1
227.10693	0.1
231.10127	0.6
245.11691	0.2
249.11101	0.1
269.15375	0.8
287.16370	60.1
288.13434	0.1
288.16696	2.5
371.22104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01867	0.3
55.05501	0.4
57.07067	6.8
62.20793	0.1
65.03949	0.3
67.05484	0.8
69.03429	0.1
69.07060	0.7
70.27316	0.5
72.11855	0.1
79.05083	0.1
79.05456	0.7
81.03410	0.7
81.07041	3.6
83.01320	0.7
83.08595	0.2
85.06519	0.4
88.07243	0.1
91.05457	0.9
93.07021	0.7
94.07334	0.1
95.04951	0.3
95.08600	0.7
105.06999	0.5
107.08594	0.9
109.02861	1.6
109.06502	3.4
109.10159	1.2
119.04903	0.5
119.08591	0.2
121.10127	0.4
123.11690	12.7
124.12048	0.3
127.03893	1.6
133.10136	0.2
135.08032	0.2
135.11674	1.3
137.05962	5.8
137.09645	0.1
139.03868	0.2
143.08484	0.2
145.10002	0.2
147.04440	0.1
147.11676	0.2
151.07468	0.6
153.05440	1.7
163.07549	0.9
165.05453	100.0
166.05783	2.2
167.06984	0.6
173.09518	0.2
175.07565	0.1
177.05466	0.4
177.09050	0.2
179.07025	1.3
183.06549	0.1
189.05452	0.1
189.09093	0.2
191.07059	0.7
193.08618	0.3
203.07007	0.6
204.07816	0.2
205.08522	0.7
207.10152	0.5
213.08971	0.1
217.08554	0.5
219.10086	0.2
227.10683	0.2
231.10056	0.7
243.10098	0.1
244.10904	0.2
245.11667	0.4
259.13116	0.1
269.15356	1.0
271.13135	0.2
287.16373	75.2
288.13489	0.2
288.16687	3.1
371.22119	2.1
372.22522	0.2
379.38562	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	371.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05925	0.1
52.12879	0.1
53.03947	0.2
55.01842	0.3
55.05501	0.2
57.07066	2.2
60.74223	0.1
65.03945	0.2
67.05502	0.7
69.03416	0.3
69.07058	0.3
77.03929	0.1
79.05478	0.8
81.03411	0.7
81.07043	3.5
82.07392	0.1
83.01318	0.7
83.04988	0.1
83.08589	0.1
85.06528	0.4
85.88145	0.1
91.05460	1.0
93.07022	0.7
94.04135	0.1
95.04969	0.3
95.08609	0.7
103.05510	0.1
105.07009	0.4
107.04961	0.1
107.08585	1.0
109.02869	1.2
109.06502	3.7
109.10138	1.0
110.06845	0.1
111.04411	0.1
119.04919	0.4
119.08574	0.2
121.06474	0.1
121.10135	0.3
123.04440	0.1
123.11691	11.8
124.12025	0.3
125.09625	0.2
127.03898	1.9
129.07036	0.1
133.10104	0.2
135.07983	0.2
135.11670	1.6
137.05965	6.2
137.09616	0.1
138.06328	0.1
139.03868	0.2
141.05424	0.2
143.08488	0.1
145.10077	0.2
147.04373	0.2
147.06505	0.1
147.11624	0.3
149.05957	0.1
149.13269	0.1
150.95712	0.1
151.07501	0.6
153.05450	2.5
163.07521	0.7
165.05455	100.0
166.05789	2.4
167.06993	0.7
175.07593	0.1
177.05444	0.2
177.09111	0.1
179.07014	2.5
182.16682	0.1
183.06511	0.2
185.09549	0.1
189.09113	0.2
191.07021	0.2
193.08580	0.2
203.07004	0.5
203.10587	0.1
205.08594	0.5
206.08037	0.1
207.10147	0.4
207.17387	0.1
213.09010	0.2
217.08601	0.1
219.10132	0.2
227.10651	0.2
231.10109	1.5
232.10559	0.1
245.11690	0.3
245.15656	0.1
259.16922	0.1
269.15353	0.8
271.13248	0.2
287.16376	60.0
288.16721	3.1
332.22104	0.1
347.19806	0.1
371.22137	1.4
372.22363	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	371.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01874	0.3
55.05515	0.1
57.07066	6.2
65.03934	0.2
67.05495	0.6
69.07055	0.4
69.75484	0.7
75.09602	0.1
75.26517	0.1
79.05480	0.5
81.03405	0.6
81.07044	3.0
83.01305	0.5
85.06538	0.5
91.05466	0.8
93.07025	0.3
95.04943	0.2
95.08602	0.7
99.00214	0.1
99.00872	0.1
105.07012	0.5
107.08569	1.0
109.02863	1.5
109.06503	3.1
109.10137	2.1
111.04427	0.1
111.11703	0.1
117.47309	0.1
119.04922	0.5
119.08579	0.1
121.10135	0.3
123.11688	12.3
124.12046	0.3
125.09637	0.2
127.03896	1.3
127.52918	0.1
133.10114	0.3
135.08046	0.1
135.11659	1.7
136.89529	0.1
137.05957	5.2
137.09630	0.1
138.06299	0.2
139.03856	0.3
147.04353	0.3
147.11682	0.3
149.09686	0.1
151.07491	0.7
151.11240	0.1
153.05444	1.8
161.05968	0.1
163.07545	0.6
165.05450	100.0
166.05772	2.5
167.06972	0.8
177.05429	0.4
177.29706	0.1
179.07022	1.1
183.06612	0.1
189.09113	0.1
191.07021	0.3
193.08582	0.3
203.07135	0.2
205.08560	0.3
207.10181	0.2
207.17317	0.1
208.70172	0.1
213.09131	0.1
217.08528	0.1
219.10182	0.2
227.10710	0.1
231.10146	0.5
245.11678	0.3
249.11177	0.2
269.15323	0.9
271.13281	0.3
287.16373	75.8
288.16718	4.9
371.22116	2.1
372.22543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01856	1.6
55.05489	2.9
57.03431	1.5
60.96792	1.1
64.09830	1.4
65.41874	1.2
66.23946	1.2
67.05492	3.2
69.03422	7.5
69.07047	4.9
69.90956	9.1
71.04979	2.8
76.78022	1.1
79.05470	4.4
80.53572	1.1
81.03407	1.8
81.07044	9.6
83.04952	5.4
83.08620	1.3
85.02889	10.2
85.06544	3.9
91.05454	8.4
93.07024	6.1
95.04978	3.5
95.08607	10.0
97.02875	3.4
97.06505	6.0
99.04422	2.4
99.08057	3.6
105.07014	19.5
107.04952	2.9
107.08579	18.7
109.02859	1.4
109.06492	3.3
109.10125	7.5
115.05458	1.4
116.76807	1.2
117.07021	2.7
119.04899	2.0
119.08582	8.7
121.06496	2.7
121.10118	16.6
122.07310	1.5
123.04392	9.3
123.08050	4.1
123.11694	2.1
125.09621	6.4
127.03883	3.5
129.07007	3.5
131.08553	19.7
133.10110	100.0
134.10442	3.6
135.08008	8.0
135.11711	2.3
137.02313	4.4
137.09557	2.8
139.03937	1.5
139.11165	1.9
143.08524	4.0
145.10117	9.2
147.04420	6.3
147.08020	1.5
147.11624	9.4
149.05974	1.5
149.09584	4.7
149.13219	9.7
151.03885	13.3
151.11163	31.8
153.01784	5.4
158.10875	6.5
161.05984	2.3
163.14738	8.3
165.05457	3.9
165.12686	3.2
167.07018	4.5
173.13235	53.0
174.13571	2.6
175.07516	4.1
175.14784	1.7
177.05423	1.8
187.07498	2.1
191.03438	3.2
191.14278	66.9
192.14592	3.7
209.08066	3.8
209.15332	27.7
219.02927	5.0
219.10098	10.3
241.05063	1.4
257.04468	2.0
257.15329	1.4
303.08310	2.0
311.08994	1.6
329.06503	7.9
339.86877	1.2
371.07480	5.2
371.13812	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	371.2061
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.66040	1.2
53.03933	2.8
55.01859	3.6
55.05499	4.2
57.03427	2.0
57.07051	3.6
59.04993	1.6
65.03933	2.2
66.88723	1.3
67.05156	1.3
67.05492	8.3
68.00690	1.0
68.99776	1.6
69.03421	65.0
69.07050	5.0
70.99361	3.7
71.04978	1.4
77.03909	1.6
79.05485	12.6
81.03416	3.4
81.07052	19.1
83.04969	5.4
83.08620	1.8
85.02899	10.6
85.06552	2.5
91.05444	11.1
93.07028	8.0
95.04945	6.8
95.08595	12.6
97.02880	3.9
97.06496	5.8
99.04491	1.7
103.05479	2.7
105.03390	1.7
105.07020	10.6
107.04927	8.0
107.08580	19.2
109.02857	3.6
109.06493	10.2
109.10130	5.2
111.04433	2.1
111.08082	3.8
115.05456	1.8
116.80222	1.1
117.07030	1.9
119.04936	14.4
119.08572	6.1
121.06476	4.5
121.10134	14.9
122.10484	1.3
123.04415	62.1
123.08057	5.4
123.11705	6.8
124.04770	1.3
125.06017	2.1
125.09616	25.1
126.09934	1.5
127.03877	4.4
128.06190	2.2
129.07013	2.6
131.04948	2.2
131.08554	8.8
133.06458	2.4
133.10101	9.9
135.04398	3.8
135.08032	16.3
135.11671	7.0
137.05977	12.7
137.09592	2.0
139.03862	8.7
140.04323	1.3
140.38116	1.4
143.08539	2.2
145.10124	7.6
147.04395	44.7
147.11690	4.0
148.04784	1.6
149.05966	7.8
149.09601	8.0
149.13268	3.4
151.03894	72.3
151.11140	2.8
152.04248	2.2
153.01826	2.3
153.05402	1.7
153.09085	9.3
156.05751	3.5
157.06387	2.0
158.10916	2.6
159.08040	2.3
161.05995	6.8
161.09567	1.4
163.03874	4.7
163.11150	4.7
163.14835	5.4
165.05467	22.0
165.06837	2.3
165.12764	4.4
167.07025	16.7
171.11658	1.4
173.13239	22.2
173.14626	2.2
174.06775	1.9
174.13609	1.4
175.07492	4.5
175.11113	1.6
176.11848	1.6
177.05493	11.3
179.06979	1.9
181.04927	3.0
181.09926	1.3
186.06856	1.5
187.07503	7.6
189.05383	2.8
189.06944	1.3
189.09099	3.1
191.06972	2.7
191.08591	1.7
191.10637	4.7
191.14287	100.0
192.14639	4.0
193.08575	3.0
195.59196	1.2
199.07602	1.7
201.09018	2.1
202.06233	1.9
203.08577	2.6
205.06601	1.8
206.07204	2.3
207.06491	3.9
207.10051	1.9
209.11935	3.6
209.15350	95.0
210.15662	4.5
217.08600	11.1
218.07178	1.9
219.08089	3.8
219.10133	58.2
220.10497	3.7
221.09634	2.0
231.10165	2.2
232.08809	1.4
233.09782	2.7
235.07468	2.7
236.08241	2.5
247.07475	3.0
247.09698	2.2
248.08243	2.4
249.09007	3.7
249.11217	3.3
251.06812	1.2
251.10399	1.2
260.08344	1.7
261.09097	4.1
263.06937	2.1
264.07596	2.3
265.08411	2.2
269.04532	1.4
277.08548	4.0
278.09357	1.4
279.10162	4.4
285.07547	2.9
291.10211	1.8
293.08203	2.0
293.11563	2.0
300.09848	2.4
301.10699	1.3
303.08640	12.1
307.09540	4.0
309.11301	3.0
311.09195	2.6
311.12726	2.9
321.11230	4.9
326.11493	1.9
339.12280	7.6
340.12524	1.9
341.13666	4.1
353.13797	9.6
371.07849	7.4
371.14822	30.9
372.15042	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02052	0.4
53.03923	1.4
55.01846	1.2
55.05510	2.0
57.03419	1.8
59.04982	0.5
59.32600	0.4
61.02917	2.5
65.33162	0.4
65.39305	0.4
65.51235	0.4
67.05491	1.3
69.03419	7.3
69.07043	0.8
70.94579	1.2
71.04972	1.4
71.27868	0.4
73.02900	1.0
79.05483	2.6
80.25594	0.4
81.03418	4.1
81.07043	3.4
83.04958	1.7
85.02892	21.4
87.04446	1.0
91.03932	1.1
91.05416	2.3
93.07038	3.2
95.04938	1.9
95.08599	2.0
97.02882	6.8
97.06528	0.6
99.04429	1.4
101.05975	0.6
105.07008	3.5
107.04926	1.8
107.08615	2.0
109.02866	2.8
109.06509	2.0
109.10146	1.4
115.05460	0.7
119.04917	1.8
119.08555	1.5
121.06499	0.8
121.10123	4.6
123.04422	7.8
123.08009	2.2
123.11690	1.6
127.03921	4.0
129.05464	0.6
129.07014	0.5
131.08531	0.9
133.10107	2.5
135.04343	0.4
135.08014	2.3
135.65295	0.4
137.05978	2.6
137.09598	3.2
137.72824	0.5
139.03888	1.3
145.04955	4.3
145.10071	0.7
147.04391	5.0
147.06412	0.5
147.11673	1.0
148.04710	0.4
149.09596	100.0
150.09943	4.1
151.03896	9.0
151.11162	7.6
153.01823	2.7
159.08022	0.8
161.05989	1.4
163.03851	1.1
165.05495	4.1
165.12735	11.8
166.12976	0.6
167.07036	5.2
173.09692	0.4
173.13229	1.4
174.06766	0.5
175.07581	1.5
177.05450	1.7
179.06964	0.4
181.05006	1.0
187.07497	1.5
189.09151	0.6
191.06895	1.1
191.14281	18.5
192.14632	0.7
193.08646	0.5
193.15872	0.6
207.06386	0.7
209.08089	6.5
209.15346	28.3
210.15616	1.3
217.08638	1.5
219.10124	6.9
234.06593	0.6
247.09755	0.7
249.09108	0.6
260.08545	0.4
261.09158	0.6
263.07043	0.8
265.08606	0.7
275.10495	0.5
277.08524	0.8
278.09296	0.5
281.11758	0.5
285.07571	1.3
293.11664	0.7
297.07538	0.5
300.09964	1.3
303.08585	1.5
306.93698	0.4
309.11179	0.9
313.28683	0.4
321.11273	1.2
322.11603	0.5
339.12289	1.5
341.13849	0.5
353.13773	1.8
371.07468	1.1
371.15353	3.0
372.14972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.24520	0.6
53.03938	0.8
55.05492	0.9
57.03426	1.1
57.07050	1.1
59.04999	1.3
60.39530	0.5
61.02916	1.7
65.03940	0.7
67.05486	2.1
69.03422	4.0
71.04974	5.5
73.02913	1.1
79.05481	1.4
80.86297	0.5
81.03404	1.4
81.07023	2.0
83.04959	1.2
83.08630	0.6
84.08151	0.8
85.02891	9.2
85.06522	1.8
86.09708	0.7
87.04458	0.8
89.06005	5.1
91.03962	0.6
91.05469	2.2
93.07027	2.4
94.44391	0.5
95.04958	100.0
95.08614	1.4
96.05301	1.6
97.02860	4.1
97.06532	1.4
98.20673	1.4
99.04445	21.8
105.07011	4.6
107.04948	0.6
107.08577	1.9
109.02864	1.1
109.06491	4.3
109.10150	2.2
111.08038	1.2
119.08582	1.3
120.54391	0.6
121.06531	0.6
121.10142	1.0
123.04436	1.1
123.08028	0.5
127.03913	2.2
129.09096	0.5
131.08563	2.9
133.08641	3.1
133.10110	17.0
135.08038	1.9
137.05901	1.0
137.09680	0.7
139.03874	0.8
145.02826	0.7
145.04938	1.8
145.10121	1.6
147.04434	0.8
147.11647	0.9
149.09557	0.9
149.13298	0.7
151.11188	1.1
153.09088	35.3
154.09518	0.7
158.10831	1.1
163.03906	1.9
165.05457	0.9
167.07043	1.6
171.07970	0.9
173.13245	10.8
173.14597	1.0
177.05493	2.5
177.11127	0.8
178.05829	0.7
179.20792	0.6
191.14278	13.1
193.08693	0.6
193.15981	0.7
209.15349	35.5
210.15662	1.3
229.70303	0.7
248.88368	0.6
279.08588	0.7
343.88904	0.7
371.16815	6.8
371.20993	1.2
372.16797	0.7
388.20468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05497	2.8
57.03425	1.8
57.07063	1.9
57.29874	0.6
59.05003	4.8
60.05318	0.9
61.02915	2.2
65.03932	1.6
66.58655	0.7
67.05502	3.4
69.03428	8.2
69.07050	2.0
69.84075	1.6
69.84494	3.9
70.06584	1.9
71.04993	4.0
71.08621	0.9
73.02916	1.2
73.04741	1.1
73.37799	0.7
79.05477	3.3
81.03416	2.9
81.07054	3.4
83.04980	6.8
83.08619	1.0
84.04472	0.7
85.02899	14.7
85.06537	2.2
87.04448	5.5
88.04800	2.7
89.03901	1.9
91.05840	6.9
93.07020	6.1
94.06572	2.6
95.01318	2.0
95.04960	100.0
95.08587	2.3
96.05292	2.9
97.02884	6.3
97.06508	0.8
98.20734	0.8
99.04445	23.4
99.05061	1.4
99.08102	1.1
101.06004	2.0
105.05497	4.0
105.07014	2.5
106.05820	1.1
107.04956	2.6
107.08591	3.7
108.05247	0.9
109.02881	2.2
109.06506	3.0
109.10149	2.9
111.04429	5.0
111.08077	1.6
113.02334	4.2
117.03368	2.9
117.07001	0.8
119.08560	1.7
120.04530	0.7
120.08073	1.2
121.06493	1.2
121.10117	7.5
123.04429	4.5
123.11627	1.1
125.05984	0.8
127.03925	4.1
129.05487	2.0
130.05014	1.0
131.08530	1.5
133.02817	4.6
133.06436	1.1
133.10118	7.5
134.03238	1.4
135.04408	7.1
135.08023	1.6
135.11697	1.0
136.06149	0.9
137.02289	0.7
139.03896	2.5
139.11172	2.7
145.02827	4.3
145.04973	3.2
145.10088	1.6
147.04378	1.4
147.06531	2.7
147.11662	1.1
149.09590	1.4
149.13281	1.0
151.03909	14.7
151.05048	1.4
151.07607	0.8
151.11180	1.1
152.04247	0.9
153.09102	33.1
154.09486	1.1
157.04993	1.3
157.10156	0.8
161.02321	3.9
161.06020	0.8
161.13254	1.1
163.03889	41.3
163.14818	1.9
165.05493	1.6
167.07060	2.3
169.04967	1.5
170.09627	3.5
173.08073	1.5
173.13177	4.7
174.08379	1.1
175.06129	0.8
177.05411	1.4
179.03391	8.1
180.03693	4.5
191.09041	2.0
191.14275	5.9
192.06555	1.0
192.09520	2.0
193.08611	2.3
193.15929	1.2
197.04427	1.6
198.09154	7.7
203.03487	0.8
209.04440	2.8
209.07930	0.7
209.15353	39.6
210.07687	1.0
210.15742	0.8
239.08115	1.0
239.13202	1.2
254.13797	1.1
265.97208	0.7
268.97925	1.5
271.72058	0.7
285.00970	2.1
286.68372	0.7
287.16379	1.3
355.06934	1.6
367.06589	0.8
371.16940	6.5
371.20636	0.9
372.20319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24520	0.6
53.03938	0.8
55.05492	0.9
57.03426	1.1
57.07050	1.1
59.04999	1.3
60.39530	0.5
61.02916	1.7
65.03940	0.7
67.05486	2.1
69.03422	4.0
71.04974	5.5
73.02913	1.1
79.05481	1.4
80.86297	0.5
81.03404	1.4
81.07023	2.0
83.04959	1.2
83.08630	0.6
84.08151	0.8
85.02891	9.2
85.06522	1.8
86.09708	0.7
87.04458	0.8
89.06005	5.1
91.03962	0.6
91.05469	2.2
93.07027	2.4
94.44391	0.5
95.04958	100.0
95.08614	1.4
96.05301	1.6
97.02860	4.1
97.06532	1.4
98.20673	1.4
99.04445	21.8
105.07011	4.6
107.04948	0.6
107.08577	1.9
109.02864	1.1
109.06491	4.3
109.10150	2.2
111.08038	1.2
119.08582	1.3
120.54391	0.6
121.06531	0.6
121.10142	1.0
123.04436	1.1
123.08028	0.5
127.03913	2.2
129.09096	0.5
131.08563	2.9
133.08641	3.1
133.10110	17.0
135.08038	1.9
137.05901	1.0
137.09680	0.7
139.03874	0.8
145.02826	0.7
145.04938	1.8
145.10121	1.6
147.04434	0.8
147.11647	0.9
149.09557	0.9
149.13298	0.7
151.11188	1.1
153.09088	35.3
154.09518	0.7
158.10831	1.1
163.03906	1.9
165.05457	0.9
167.07043	1.6
171.07970	0.9
173.13245	10.8
173.14597	1.0
177.05493	2.5
177.11127	0.8
178.05829	0.7
179.20792	0.6
191.14278	13.1
193.08693	0.6
193.15981	0.7
209.15349	35.5
210.15662	1.3
229.70303	0.7
248.88368	0.6
279.08588	0.7
343.88904	0.7
371.16815	6.8
371.20993	1.2
372.16797	0.7
388.20468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.93480	1.0
53.03925	2.3
54.91108	1.1
55.05500	6.6
57.03411	4.1
57.07058	3.2
59.04980	5.4
61.02905	2.0
65.03931	1.7
67.05504	6.0
69.03421	11.6
69.07054	7.0
71.04989	10.2
71.73747	2.8
72.05300	1.6
79.05481	6.2
81.03413	6.4
81.06615	1.5
81.07043	15.0
83.04971	11.4
83.08617	11.3
85.02895	23.6
85.06522	4.5
86.09673	1.3
87.04436	1.6
87.38894	1.4
89.03851	1.5
91.05400	2.0
91.05840	1.5
93.03372	2.1
93.07028	13.5
95.04955	100.0
95.08591	4.3
96.05258	3.8
97.02878	9.9
97.06482	2.0
97.10139	1.3
99.04445	25.9
101.05943	1.7
103.03926	1.6
105.07009	4.6
107.04920	4.6
107.07956	1.2
107.08594	17.7
108.05228	1.7
109.02876	6.7
109.06498	10.6
109.10137	13.2
111.04414	5.3
111.08039	5.5
112.04754	2.1
113.05962	4.6
117.03353	2.9
117.06991	1.8
117.09154	1.3
119.08537	4.3
121.10121	27.6
123.04404	2.7
123.08051	2.3
123.11675	4.5
124.04719	1.4
125.05893	1.3
127.03865	7.1
129.05464	3.3
131.07022	5.2
131.08549	3.3
132.07347	2.7
133.02811	4.8
133.10126	11.1
134.03165	4.8
135.04391	7.6
135.08031	4.5
135.11655	3.8
137.05945	1.2
139.03893	3.2
139.11131	1.8
140.04172	1.5
143.08658	1.5
145.02803	5.1
145.04930	4.2
145.08577	12.7
145.09694	1.5
145.10083	1.4
146.08904	12.1
147.06453	1.9
147.11659	2.6
149.09607	1.8
149.13242	8.9
151.03844	3.6
151.11150	4.0
152.04221	2.9
153.09091	29.7
161.02293	2.7
162.02623	3.4
163.03894	50.1
163.14787	6.3
165.05478	1.2
167.06940	1.7
167.14291	9.4
169.12193	1.4
171.10103	1.5
173.13240	9.3
174.08412	2.1
175.06151	1.5
179.03372	17.7
180.03738	16.3
181.03888	1.5
181.12173	1.6
187.06018	1.6
191.09079	2.2
191.14278	15.3
192.09393	2.9
205.07133	1.6
209.07825	3.4
209.15335	54.2
221.08008	1.6
227.16383	1.7
233.15344	2.0
335.18472	1.6
353.12833	1.5
354.09003	1.2
371.12445	2.6
371.16754	26.3
371.20819	4.2
372.17072	2.0
376.60480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1484
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03929	0.9
55.01863	2.3
55.05504	2.0
57.03445	0.6
57.07056	1.0
65.03936	0.7
67.05494	2.1
68.99781	1.5
69.03421	2.0
69.07064	1.3
70.06544	0.6
70.27193	2.1
71.01334	0.8
71.04960	0.8
77.03896	0.6
79.05492	4.8
81.03401	2.3
81.07045	9.5
83.05003	0.5
85.02885	1.7
85.06523	0.8
86.09701	1.4
91.05443	6.1
93.07035	2.3
95.04955	3.8
95.08607	2.9
97.02876	1.5
97.06532	0.7
98.21353	0.9
100.07627	0.5
101.06021	0.7
101.97966	0.6
103.05437	1.6
105.03371	1.2
105.07034	4.4
107.04937	3.5
107.08559	0.9
109.02884	2.0
109.06516	0.8
109.10143	2.2
111.04440	1.2
111.08089	0.7
115.05449	1.2
116.07056	1.1
117.06960	0.6
119.04922	13.7
119.08586	1.3
121.06488	1.8
121.10143	1.0
123.04412	60.9
123.08049	2.4
124.04749	1.5
125.02330	1.5
125.05895	0.6
127.03902	2.4
129.05516	0.8
129.07072	0.7
131.04916	1.1
131.08565	3.1
133.06474	1.4
133.10107	10.7
135.04395	2.8
135.08047	1.3
137.02313	0.9
137.05949	4.6
137.09549	0.7
139.03870	5.4
143.04903	0.9
145.06418	0.6
145.10074	1.9
146.85384	0.5
147.04387	36.6
147.11682	1.0
149.05966	7.2
149.09586	1.1
151.03885	100.0
152.04260	2.1
153.01775	0.9
153.05429	0.7
153.08833	0.6
157.06462	0.8
159.04442	0.9
159.08064	1.0
161.05959	4.3
163.03912	4.6
163.07536	0.6
163.14880	0.7
165.05466	27.0
165.09096	0.7
166.05774	0.9
167.07031	5.9
173.06020	1.0
173.09563	0.8
173.13246	5.3
175.07523	1.5
177.05434	10.3
177.06804	1.0
177.09059	1.6
179.07042	1.5
181.04898	2.6
183.07948	0.8
187.07504	2.6
189.05399	1.3
189.09024	2.0
191.06975	1.1
191.10603	1.0
191.14255	6.1
193.04994	0.7
193.08559	1.9
195.10135	0.8
201.09061	2.5
202.07857	0.7
203.10574	0.9
206.07076	0.7
207.06439	3.1
207.10011	1.2
209.07979	1.0
209.15273	1.7
217.08543	1.9
218.07312	1.2
219.10135	87.1
220.10501	3.9
231.10167	1.7
233.09720	0.9
235.07428	1.2
247.07422	1.0
249.09050	1.7
249.11176	2.2
250.06325	0.6
261.08945	2.6
263.06998	1.0
264.07593	0.9
265.08649	1.2
277.08597	3.9
278.09232	0.8
279.10040	1.7
285.07379	1.2
292.11206	0.6
293.08075	0.6
293.11560	1.8
303.05377	0.8
303.08603	11.0
307.09454	0.9
309.07449	0.5
309.11084	1.7
311.12708	1.4
321.11026	1.6
339.12317	7.0
340.12607	0.7
341.13791	1.2
343.15219	0.7
353.10324	0.5
353.13895	4.1
370.71771	1.3
371.07938	3.1
371.14777	29.0
372.15201	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	371.1333
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
53.03919	0.5
55.01858	0.8
55.05505	0.6
57.03406	0.8
57.07025	0.5
60.50019	0.4
61.02927	0.5
62.49728	0.4
67.05470	0.9
68.99759	0.4
69.03426	3.7
69.07044	0.4
70.06571	0.4
70.66135	0.3
70.92225	0.3
71.01360	0.4
71.04960	0.9
71.15968	1.1
72.08148	0.4
79.05465	0.8
81.03413	1.7
81.07046	0.6
83.04938	1.0
85.02889	4.1
86.18110	0.3
87.04453	0.5
91.05443	0.6
93.07009	0.9
95.04932	1.2
95.08595	0.6
97.02888	3.1
97.06494	0.6
97.56574	0.4
99.04432	1.5
101.06009	0.4
105.07002	0.9
107.04921	0.9
107.08567	1.4
109.02854	0.6
109.06539	0.6
109.10140	0.8
111.04403	0.4
111.08051	0.7
114.84604	0.4
119.08546	0.5
121.06470	0.3
121.10087	0.9
123.04410	1.0
123.08038	0.6
125.05964	0.8
127.03892	1.0
129.05464	0.5
129.09035	0.6
131.08517	1.1
133.10104	2.0
135.08157	0.7
135.11642	0.5
137.05949	1.4
137.09625	0.4
138.06720	0.5
139.03885	1.4
145.04964	0.5
145.10088	0.5
147.11671	0.5
149.05994	0.4
149.13161	0.4
151.03859	1.2
151.11166	0.4
153.01808	77.1
154.02142	1.9
159.31522	0.3
163.03876	0.8
165.05463	0.6
167.07022	1.5
167.10666	7.4
171.02945	0.4
173.13272	1.3
177.05511	0.5
181.04910	1.2
183.03041	0.3
187.02299	0.3
187.07501	0.8
189.08966	0.3
191.07069	0.9
191.14282	1.8
193.08580	8.7
195.02817	0.4
209.08064	100.0
209.15173	2.0
210.08382	4.4
221.08037	0.8
229.04916	0.4
245.04480	0.4
257.04367	4.7
257.06577	0.4
267.12204	0.6
277.08719	0.4
278.09573	0.5
283.06061	0.4
295.06091	0.6
317.10590	0.4
323.05420	1.8
335.11398	0.6
339.12527	0.4
341.13736	0.4
353.06625	0.7
353.12500	0.5
355.07083	0.4
355.90985	0.4
371.07413	1.0
371.17014	29.8
372.17563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24075	0.6
57.03403	0.5
59.74908	0.5
66.54603	0.6
67.64037	0.6
69.03408	1.6
69.97591	4.4
70.14536	0.6
71.04983	36.6
73.02888	0.8
76.03771	0.6
81.03397	0.9
85.02891	6.2
85.06530	3.1
95.04947	1.6
97.02865	1.1
98.21474	0.7
99.68120	0.6
107.07285	0.7
109.02876	1.0
111.04437	0.8
113.05962	4.3
119.27080	0.6
124.07610	0.8
127.03850	0.9
127.07539	16.3
131.07024	20.7
139.03850	0.7
145.02840	1.4
145.08580	100.0
146.03195	1.1
146.08965	1.8
151.03894	0.8
152.29092	0.6
157.04927	0.6
166.08620	2.5
173.08139	4.3
177.05405	1.7
178.05815	1.4
179.03401	2.9
180.08684	2.1
191.00571	0.6
191.09119	26.8
208.11790	2.5
282.09720	2.3
342.11813	0.9
370.06879	1.2
370.11386	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	370.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
53.36560	0.5
55.01875	0.9
55.05515	1.0
57.03431	1.0
57.07069	14.5
57.93689	0.6
59.04992	100.0
60.05318	1.0
61.02910	0.6
61.61835	0.6
69.03425	2.6
69.07063	0.6
70.27284	1.2
70.27698	2.2
76.02209	1.1
81.03396	0.6
81.07053	0.7
85.02897	10.4
91.05466	1.3
95.08603	0.7
97.02879	2.7
97.06533	0.9
97.10116	0.7
98.21318	0.6
99.08098	0.7
101.09602	0.7
107.04971	1.6
115.11195	27.3
117.09136	1.4
123.04431	2.5
124.29411	0.7
127.03941	2.0
129.07005	0.6
133.06544	0.8
133.10112	1.2
137.05994	0.8
139.03888	6.4
140.04207	3.7
145.04967	1.6
147.04451	1.3
149.06012	0.7
151.03909	2.5
159.08139	0.8
161.05957	1.4
162.06305	0.6
163.03934	2.6
164.04272	1.7
165.05429	0.8
167.07034	6.3
167.08351	0.8
173.13315	0.8
173.15344	4.0
175.07576	1.6
177.05568	1.0
179.03476	0.8
187.07596	1.5
189.05501	0.6
191.06938	0.6
191.16396	47.3
192.16710	1.4
201.09270	0.6
202.09464	1.4
207.13855	1.1
219.10138	3.2
220.10555	0.8
249.09074	0.8
254.45567	0.7
269.08401	0.6
309.11212	0.7
321.11569	0.7
341.14090	0.8
352.12793	2.0
353.10187	0.9
370.13492	3.2
371.07269	0.8
371.14816	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	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01848	2.5
55.05492	2.1
61.02905	1.7
65.03932	2.5
67.05489	9.8
69.03406	4.3
70.19749	3.2
70.20159	4.9
71.04973	1.5
73.04736	2.3
74.06065	1.5
77.03891	1.4
79.05480	3.2
81.03409	2.5
81.07048	21.4
83.04969	14.8
83.29708	1.3
85.02886	14.4
85.06529	4.2
91.05843	9.7
93.03378	5.6
93.07017	4.6
95.04961	24.8
97.02882	3.0
98.20749	1.6
99.04432	1.6
105.03368	8.7
107.04939	15.2
109.02831	6.4
109.06498	39.1
111.04433	24.9
113.05988	5.5
117.05467	5.4
119.04941	3.5
121.02876	3.4
123.04421	14.1
127.03891	4.5
127.07522	13.1
129.05449	6.7
133.02841	31.0
135.04390	1.7
137.02405	1.9
137.05959	100.0
139.03883	12.5
141.05457	15.4
147.04309	2.3
147.06514	1.5
150.03107	4.4
151.03886	16.5
155.07018	30.9
156.07404	1.5
157.04950	17.6
159.06514	8.2
161.02327	22.6
163.03909	6.2
173.08076	98.1
175.06003	5.6
177.05321	2.4
177.07632	7.8
178.05728	1.5
179.03375	88.0
180.03728	2.1
191.09114	48.0
197.04448	3.8
268.97821	3.2
285.00793	3.6
353.08316	1.3
355.06934	2.9
370.16739	1.4
371.03903	1.8
391.12000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05493	0.8
58.53335	0.5
64.22681	0.5
65.03925	2.2
67.05495	6.7
68.99768	1.0
69.03413	2.1
70.06592	0.7
77.03918	1.3
78.22482	0.5
79.05476	1.5
83.04966	12.4
84.11348	0.5
85.02874	3.9
93.03397	5.6
95.04953	7.1
95.21496	0.5
97.02856	0.6
97.37675	0.4
105.03370	7.7
106.72189	0.4
107.04939	20.0
109.02838	2.0
111.04423	18.6
117.03292	0.5
121.02860	2.8
123.04404	9.0
129.05452	9.9
130.90456	0.5
132.87901	0.5
133.02832	29.9
134.03682	0.9
134.16866	0.5
135.04378	1.0
139.03879	13.0
147.04404	0.8
151.03889	14.0
157.04942	11.2
161.02316	17.0
162.02650	0.7
163.03885	0.9
175.05994	11.6
178.05602	0.5
179.03368	100.0
180.03714	3.3
203.05417	0.6
286.95004	0.5
353.08682	4.6
354.08405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01869	1.3
55.05494	2.7
55.89117	1.2
57.03442	1.8
59.04996	36.8
61.02910	2.4
65.03921	3.9
67.05495	9.3
68.05048	1.2
69.03424	20.8
69.07052	1.9
70.06571	3.1
71.04980	2.5
71.80081	1.0
77.62999	1.1
79.05484	3.5
81.03400	2.6
81.07030	2.5
83.04974	14.9
85.02901	16.6
85.06522	2.7
86.09707	1.8
87.00777	1.1
87.04463	65.1
91.05780	4.5
93.03394	6.7
93.07058	2.0
95.01302	2.3
95.04960	21.2
95.08630	1.8
95.57481	1.1
97.02879	4.5
97.06506	2.8
98.09637	1.4
99.04440	3.5
101.06012	1.4
105.03405	7.1
105.05495	55.9
107.04950	19.3
107.08569	1.9
109.02866	2.2
109.06493	1.4
109.10145	1.8
111.04443	20.8
113.02366	7.0
117.03355	4.0
121.02840	4.0
123.04411	10.1
127.03871	3.3
129.05482	9.6
133.01904	2.3
133.02850	32.9
133.10132	1.4
135.04401	3.5
136.06157	3.4
137.05836	1.1
139.03883	16.1
145.02831	4.2
146.03146	3.2
147.04362	2.0
151.02696	2.3
151.03886	29.3
151.05057	2.1
153.05447	2.4
153.09061	3.4
155.05882	1.2
155.07022	6.6
155.10619	1.2
155.32480	1.3
157.04988	11.8
161.02327	20.0
163.03900	9.6
164.04236	1.4
169.05005	1.6
173.08087	32.0
173.11725	1.4
175.06017	10.4
177.04185	1.2
177.05478	8.0
178.05794	10.5
179.03381	100.0
180.03685	4.0
181.05121	1.1
190.08618	1.5
191.09132	37.2
209.04294	2.6
209.15396	5.8
220.00771	1.1
238.12968	10.5
285.00916	2.3
351.02209	1.2
353.08646	5.2
355.06851	2.6
370.16962	2.3
371.16824	1.8
385.92099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2056
Annotation	Nimbothalin
Peak:m/z	Relative Intensity
55.05492	8.2
57.07063	3.1
67.05505	14.8
69.03422	16.7
69.07047	5.5
69.81800	15.4
71.04984	31.9
79.05475	9.0
81.07043	12.2
83.04966	5.1
83.08572	2.9
91.05464	15.6
93.07044	20.4
95.04968	3.9
95.08590	22.2
97.06536	3.8
105.03381	2.5
105.07015	22.6
107.08607	15.3
109.06564	5.8
109.10130	6.5
111.08080	3.9
117.07003	7.8
119.08556	30.4
120.58263	2.5
121.06438	3.4
121.10137	11.6
123.08048	3.5
129.07030	6.0
131.08572	10.2
133.06500	3.4
133.10121	9.5
135.08043	25.4
135.11687	3.5
137.05942	6.5
137.09578	3.0
139.03909	2.4
142.07755	4.8
143.08553	10.4
145.06441	2.7
145.10089	14.3
147.08011	13.5
147.11664	31.4
149.09584	7.8
149.13278	3.2
151.07523	6.5
155.08530	3.7
156.09306	3.4
157.06480	4.2
157.10106	39.3
159.08067	9.8
159.11668	34.6
160.08820	2.7
161.09561	12.1
163.11119	3.8
165.06996	4.5
165.09076	6.7
167.08540	4.0
169.10106	8.5
171.08061	5.4
171.11673	9.0
172.56638	2.5
173.06024	2.7
173.09595	15.1
173.13223	3.8
175.07536	25.9
175.11148	41.3
177.09102	4.2
177.12753	21.8
181.10120	7.0
182.10832	2.5
183.11650	14.4
185.09604	6.0
185.13210	6.9
189.11296	2.9
189.12679	16.8
193.08556	15.5
193.10115	6.4
195.10107	4.6
195.11734	12.5
197.09599	5.9
197.13214	10.8
198.10460	3.7
199.11115	5.8
200.40495	2.4
201.12828	3.4
203.10617	3.1
207.11731	3.9
209.09595	10.8
209.13228	5.7
211.11217	15.0
211.14774	16.1
213.12723	13.3
214.13405	5.6
215.14284	4.5
220.12483	4.9
221.09718	7.1
221.13330	3.4
223.11131	4.2
223.14754	4.3
225.12656	6.3
225.16391	9.2
227.14285	5.1
229.12242	4.0
231.13872	3.2
235.14911	13.9
236.11937	2.7
237.12694	5.1
237.16385	10.3
239.10588	2.9
239.14285	9.6
240.15056	3.0
249.12558	2.8
251.14366	22.9
252.15013	8.0
253.15857	46.9
253.88080	2.8
254.16362	4.3
255.13646	3.7
255.14499	3.5
255.17413	42.9
256.17810	3.6
257.04407	9.6
263.14261	14.8
265.12265	3.3
265.15982	5.1
267.17395	4.1
269.04425	3.7
271.16873	2.8
279.13834	5.8
280.14493	4.0
281.15427	27.6
282.15872	4.1
283.16617	2.5
293.08008	2.8
295.17218	5.2
295.20694	8.5
299.16257	7.5
305.19034	12.3
307.20544	24.5
309.07297	3.8
311.09070	21.5
323.20023	78.1
324.20255	5.8
325.21609	46.8
326.21762	7.2
333.18344	7.2
341.21188	14.7
351.19498	100.0
351.23798	5.4
352.19748	10.6
369.13135	8.7
369.20453	78.5
370.20667	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	369.1514
Annotation	Drosopterin
Peak:m/z	Relative Intensity
55.01862	0.9
55.05496	1.3
69.03398	1.4
69.47549	2.2
69.47974	8.1
70.06579	2.1
71.36852	0.9
79.05459	1.4
81.07031	1.3
83.04958	1.3
84.04486	1.5
85.02887	2.4
86.09679	1.5
91.05463	1.8
91.44576	0.9
93.07037	1.4
97.02863	0.9
117.03438	1.2
119.07236	0.9
119.08531	1.5
123.04413	0.9
126.64673	1.0
128.16087	0.9
129.45245	0.8
130.04973	1.0
135.01503	1.0
135.04401	4.1
137.02304	1.6
137.05949	2.3
139.03867	1.6
145.02843	0.8
145.04938	1.4
149.05896	0.8
163.03893	15.2
165.01851	1.6
166.08487	0.9
177.05432	1.9
183.02826	2.3
185.04189	34.6
186.04623	1.1
189.08932	4.2
189.11203	1.1
189.12782	1.3
201.09128	1.1
207.09903	89.5
208.10324	1.9
285.07495	4.2
304.78815	1.1
313.07065	1.0
341.06454	4.7
343.11978	0.9
369.06204	9.1
369.15182	100.0
370.15793	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	369.1328
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
52.13631	0.5
53.03940	0.8
55.01852	1.3
55.05509	3.3
57.03414	0.7
57.07068	4.3
61.10651	0.4
65.03911	1.3
67.05486	2.3
68.99779	3.0
69.03400	1.8
69.07047	1.9
69.76231	4.4
70.21468	0.5
71.04981	0.9
76.02232	0.6
79.05475	2.0
81.03394	1.0
81.07038	0.8
83.04957	2.2
85.02870	2.7
85.06532	2.6
87.00791	0.6
91.05479	1.6
93.03381	1.5
93.07050	0.6
95.04947	1.7
95.08566	0.7
97.02859	0.9
97.06503	2.3
99.04413	0.5
103.05442	2.6
105.01850	1.2
105.03389	1.0
105.07006	1.3
107.04947	1.0
109.02850	0.8
111.00794	2.8
111.04411	5.1
112.53266	0.5
115.05426	3.1
117.06982	1.9
121.02875	1.0
123.04413	10.4
127.03880	1.6
128.04294	0.7
128.06129	1.4
129.07022	1.3
131.04906	7.9
131.08530	1.0
133.06450	1.6
135.04407	2.1
137.02328	0.5
137.05971	1.1
139.03882	100.0
140.04227	1.4
141.06956	1.3
142.07776	0.5
143.04895	5.4
143.08560	0.8
145.06456	2.1
145.10114	2.2
147.04408	3.1
147.08025	0.6
149.02367	0.9
149.05969	10.6
151.03885	3.1
153.05530	0.7
153.06961	0.9
155.03429	0.7
155.08528	1.9
157.06458	1.7
157.10121	0.9
159.04384	1.4
159.08011	0.8
160.05193	2.6
161.05966	14.8
162.06610	0.8
163.03888	33.8
164.04292	0.7
165.05482	1.5
165.06912	1.1
167.03395	12.6
167.04811	0.8
167.07097	1.1
167.08525	3.7
169.06508	1.2
169.10130	1.2
171.08101	1.0
173.05949	7.6
173.09592	3.7
174.06717	1.5
175.03841	1.6
175.07504	3.2
176.04671	1.6
177.05440	5.7
177.09033	0.7
178.07762	0.6
179.03401	1.1
179.08528	1.0
181.06461	1.5
183.08041	1.4
185.09612	1.8
186.06708	0.8
187.07558	2.3
189.05450	14.8
189.09088	2.2
191.03372	0.7
191.06963	1.5
191.10631	7.7
195.08063	3.6
197.05959	2.0
197.09575	1.7
199.07538	1.9
200.08292	0.6
201.05403	2.4
201.09076	3.8
203.10622	4.7
205.08569	2.1
207.13724	0.6
210.06865	0.7
211.07510	1.8
213.05577	1.2
213.09090	6.1
215.10651	6.8
217.08591	0.7
219.10130	17.2
225.05447	0.7
225.09088	2.5
226.09711	0.7
227.07033	0.8
229.05006	1.3
229.12294	0.7
231.10147	14.4
235.07492	0.8
237.05428	2.1
239.07089	1.2
239.10641	1.0
243.10130	5.6
250.06311	0.7
251.06949	0.8
253.05011	0.7
255.06624	0.7
263.07007	1.8
265.04926	1.7
266.05820	1.8
267.06430	2.1
271.05997	1.0
276.07843	1.4
277.08594	0.7
279.06601	1.9
281.08005	1.5
282.05161	1.7
283.06006	7.8
284.06445	0.7
285.07611	4.7
285.10696	1.1
291.06516	1.2
295.05960	9.3
296.06650	1.2
297.07629	1.5
299.05511	1.0
304.07214	1.0
305.07971	0.8
308.06744	8.9
309.07562	10.3
309.10992	1.1
311.05389	0.7
313.06949	1.9
321.07483	0.9
321.11005	1.3
322.08344	2.3
323.12766	1.1
325.10571	2.1
333.11124	1.8
337.10495	1.3
339.12259	5.7
340.12402	0.6
341.13870	4.5
351.12234	28.3
352.12619	1.5
369.13293	53.6
369.61551	0.6
370.13562	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01865	1.4
55.05492	0.8
57.03421	0.5
58.93665	0.3
59.04983	1.4
65.03925	0.8
67.05490	1.2
68.99774	2.8
69.03427	0.5
69.07060	0.7
79.05501	0.5
81.03386	0.5
81.07059	0.8
83.04971	1.0
85.02879	0.6
91.05453	0.9
93.03411	0.5
93.06998	0.5
95.04940	1.4
95.08624	0.5
97.02876	0.5
97.06511	0.9
103.05464	1.2
105.03427	0.4
105.07011	1.0
107.04971	0.6
111.00801	2.7
111.04438	3.6
115.05429	1.0
117.07010	1.0
121.02847	0.9
123.04412	9.7
123.05263	0.7
127.03890	0.9
128.06209	0.8
129.07005	1.0
131.04907	3.7
131.08540	0.7
133.06462	0.9
135.04372	0.9
137.05966	1.2
139.03882	100.0
140.04192	2.4
141.05383	0.3
141.06944	0.9
143.04881	0.6
143.08553	0.7
145.06462	2.0
145.10126	1.4
147.04372	0.9
149.02330	0.5
149.04845	0.7
149.05954	6.5
150.06305	0.4
151.03888	3.5
151.07532	0.4
153.01721	0.5
153.05447	1.4
154.07779	0.4
155.08572	1.7
157.06464	0.8
157.10101	0.4
159.08051	1.1
160.05144	3.0
161.05963	7.5
163.03888	23.5
163.07518	0.8
164.04190	0.4
165.01944	0.4
165.05486	0.8
165.06920	0.4
167.03378	0.7
167.06999	1.6
167.08527	1.4
168.05714	0.4
169.06444	0.7
169.10068	1.1
171.08034	1.1
173.05989	3.3
173.09642	2.6
174.06667	0.8
175.03922	0.7
175.07524	2.7
177.05470	1.3
177.09062	1.3
179.03374	11.1
179.08490	0.7
181.04945	0.9
181.06403	0.5
183.08086	1.0
185.05965	1.0
186.06776	1.3
187.07523	2.0
189.05536	1.0
189.09079	7.8
190.09454	0.5
191.06924	0.6
191.10640	7.1
191.16328	0.5
193.06503	0.4
195.08063	1.0
197.05962	1.6
197.09586	1.9
199.07465	1.2
200.08331	2.5
201.05403	1.3
201.09071	8.8
202.09309	0.4
203.06987	0.4
203.10570	1.8
205.04839	0.5
205.08559	0.5
207.08066	0.5
210.06708	1.3
211.07436	0.7
213.05487	0.6
213.09064	2.3
214.06235	0.9
215.03491	0.4
215.07089	0.8
215.10640	9.4
217.08559	1.0
219.08015	0.8
219.10130	10.9
221.05910	0.7
223.07562	0.6
225.05473	0.5
225.09093	3.5
226.05974	0.4
226.09819	0.6
227.06900	0.7
229.04892	1.6
229.08565	0.8
231.07932	0.6
231.10123	5.7
235.07587	0.5
239.07013	0.5
239.10727	0.6
243.06421	0.5
243.10126	8.7
249.05423	1.1
249.09276	0.5
253.05040	0.6
263.07224	0.4
265.08557	0.5
267.06421	1.5
267.10168	1.0
271.06052	0.8
276.07880	0.5
277.04852	0.6
279.06403	1.2
282.05115	0.8
283.05945	1.2
285.07571	0.7
295.05994	8.9
295.09341	0.4
296.06689	0.8
297.07544	0.8
308.06802	0.7
309.07535	2.7
311.05399	1.1
311.08759	0.4
313.07043	16.6
313.10532	1.1
321.07339	1.1
322.08252	2.1
323.09015	1.4
325.10538	3.5
333.11282	0.8
337.10666	2.5
341.13821	1.0
351.12241	9.6
365.73303	0.5
369.13229	14.1
370.13605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.33221	0.1
55.05491	0.2
56.64582	0.1
57.07071	0.1
65.03935	0.2
67.01849	0.2
67.05499	0.3
68.99776	0.5
69.03410	0.2
69.07037	0.6
70.94801	0.5
71.78875	0.2
81.07079	0.2
83.04943	0.2
85.02898	0.2
91.05470	0.1
95.04938	0.3
99.04422	0.2
101.56936	0.1
105.07000	0.3
111.04420	0.4
119.08568	0.2
121.06469	0.2
123.04417	1.3
126.85494	0.2
127.03934	0.2
129.06929	0.2
131.04884	0.4
133.10162	0.2
135.04378	0.4
137.05934	0.6
139.03885	9.6
139.07536	0.3
145.06424	0.3
145.10144	0.2
145.12204	0.2
147.04396	0.4
149.05978	0.6
151.03897	0.3
155.03415	0.2
157.06438	0.2
161.02319	0.2
161.05978	1.1
163.02631	0.3
163.03891	3.3
165.05475	0.4
167.03311	0.3
167.07021	0.3
169.10129	0.2
173.05951	0.7
173.09567	0.3
174.06851	0.2
175.07494	0.8
176.04665	0.2
177.05482	0.5
179.03441	0.2
179.08568	0.2
183.06487	0.3
183.08029	0.2
187.07520	0.3
189.05434	0.6
189.09048	0.4
191.03381	1.1
191.10651	0.6
192.04144	2.3
197.09642	0.2
199.07639	0.2
201.05402	0.3
201.09114	0.7
203.10594	0.3
205.04921	0.7
207.06497	100.0
208.06834	3.3
209.04427	0.5
212.01674	0.2
213.09058	0.2
215.03281	0.2
215.06970	0.2
215.10564	1.0
217.08543	0.3
219.10071	1.6
225.09061	0.4
231.10188	1.3
237.05841	0.2
243.10089	1.0
272.06808	0.3
282.05154	0.4
283.06058	0.5
295.06030	0.5
299.05371	0.4
300.06277	0.2
304.92227	0.2
309.07669	0.3
325.10587	0.4
337.10461	0.4
339.12424	0.2
340.72128	0.2
341.13702	0.2
351.12338	1.3
369.13284	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	369.1176
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
55.05510	0.6
59.04976	0.4
59.67104	0.3
65.03934	0.5
67.05504	1.2
69.03407	0.8
69.07063	1.7
70.06604	0.9
70.20231	1.6
71.04989	0.5
73.02907	0.7
78.04727	0.5
79.05489	0.8
81.07054	1.3
83.04970	1.4
83.08597	0.4
85.02903	1.1
85.06528	0.5
89.03904	6.8
91.05479	0.9
93.03413	0.4
93.07026	1.6
95.04964	1.1
95.08591	0.9
97.02853	0.5
97.06521	0.5
98.63873	0.4
102.80717	0.4
106.04148	0.4
107.04958	1.2
107.08574	1.1
107.72929	0.4
109.10142	1.1
111.04443	1.4
117.03366	22.6
117.06978	0.4
118.03674	0.4
123.04450	0.5
124.05252	0.5
133.02834	2.0
134.03632	2.3
135.04381	1.6
135.11682	2.2
136.07593	0.4
139.03870	0.7
145.02831	54.0
146.03130	1.0
149.05971	8.0
150.39568	0.4
151.03908	1.1
153.12755	2.0
157.05005	0.7
161.02301	0.9
163.03836	0.8
164.07045	1.1
171.13771	0.4
172.10500	0.7
175.06017	0.7
177.05449	100.0
178.05803	1.9
179.03357	6.7
182.08138	1.0
186.05618	0.8
207.06572	0.6
272.77390	0.4
309.08398	0.4
369.15271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.02369	0.8
52.58612	0.3
53.03936	2.6
55.01871	0.6
57.03428	5.9
59.04991	3.0
61.02915	0.7
67.05479	0.8
67.28729	0.3
69.03424	2.2
71.01025	0.4
71.01350	4.2
71.04989	4.9
71.21448	0.8
73.02902	0.9
73.06537	0.7
75.04488	0.6
77.03911	1.1
79.05479	5.2
81.03415	0.6
81.07048	0.6
83.01342	0.6
83.04968	0.6
85.02897	11.0
87.04457	5.0
89.03918	0.9
91.05467	10.1
95.01319	0.5
95.04953	6.8
95.08585	0.5
97.02872	2.8
97.06516	1.0
98.20715	0.4
99.04443	4.7
103.03912	1.3
103.68637	0.4
105.03379	100.0
105.06971	1.9
106.03710	1.6
107.08614	0.4
109.06546	0.6
109.10146	1.2
111.04429	1.0
113.02351	1.4
115.03885	0.5
117.03379	2.2
117.05423	1.1
119.08557	1.7
121.06506	0.5
121.10136	0.5
123.04418	6.9
123.11670	1.9
125.06031	0.4
127.03925	1.5
131.03410	0.9
131.08585	0.9
133.06512	0.5
137.05966	1.2
137.09596	1.0
139.02806	0.4
139.03860	0.7
141.01842	1.6
145.02843	5.7
145.04887	0.7
145.10133	1.6
147.11713	1.9
149.05956	0.9
149.09607	0.5
151.07573	0.4
155.03384	0.8
157.04872	0.4
159.08130	0.5
161.05984	0.4
165.01903	0.4
169.04962	0.6
171.13792	0.4
172.14153	0.6
173.04460	1.4
177.01872	0.4
177.05452	11.2
179.07005	36.6
180.07382	0.8
189.12743	3.1
193.08578	2.9
197.04507	0.4
197.08141	2.0
203.04837	0.6
207.06491	9.5
207.09920	0.9
207.13780	3.5
215.05441	0.7
221.08104	0.5
225.14871	0.5
277.07080	2.6
277.10757	1.1
285.07538	0.5
323.11295	1.9
340.77856	0.4
341.13657	0.4
351.11240	0.7
369.11212	0.7
369.14926	1.8
369.19214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07041	0.5
60.84560	0.5
66.97651	0.5
69.03397	1.1
71.18812	1.0
71.19189	1.1
85.02873	3.4
89.03907	5.5
100.24951	0.6
107.08612	0.7
109.02818	0.5
117.03371	18.7
119.08594	0.5
121.06429	0.6
121.54889	0.5
123.11696	2.4
127.03863	0.8
134.03632	1.4
135.04414	1.8
137.29262	0.6
137.56209	0.5
145.02834	49.7
146.03145	0.7
149.05969	7.2
177.05455	100.0
178.05748	2.7
186.05475	1.0
189.12724	2.6
207.13785	2.2
291.91815	0.5
369.06036	1.2
369.10849	0.6
369.15146	2.8
369.19287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01867	2.7
55.05500	3.1
57.03428	8.5
57.07070	5.3
59.04963	1.3
61.02921	2.5
61.98014	0.9
67.05492	9.3
68.99784	0.9
69.03421	4.8
69.07057	9.2
70.78244	1.3
71.04985	21.2
71.08250	1.7
71.08620	24.1
73.02866	1.1
79.05466	1.5
81.07047	2.9
83.08611	7.3
85.02893	13.0
85.06533	2.2
85.34659	0.9
91.05470	1.5
93.06995	1.1
95.08560	1.0
97.02864	5.4
99.04409	1.6
99.08081	30.8
103.05439	1.7
103.07545	1.3
105.01860	1.9
105.07011	1.4
109.02856	1.7
109.10143	44.1
110.10477	2.2
111.00768	1.1
111.04426	2.0
111.08089	1.2
113.04936	0.8
123.04387	4.7
125.13242	1.1
127.03905	2.8
127.11189	8.3
129.06969	1.5
131.04884	2.7
131.08546	1.4
133.06447	1.5
135.04424	2.1
137.05972	2.1
139.03883	56.5
140.04176	1.3
141.06955	1.3
143.04932	1.3
143.08568	1.1
145.04912	2.4
145.12215	100.0
146.12570	2.9
147.04407	1.7
149.05960	4.4
151.03899	2.1
153.12703	3.1
155.08545	1.2
159.08052	1.1
160.05235	1.4
161.05939	5.5
163.03891	13.7
163.07457	1.1
167.03421	2.6
167.07109	1.5
167.08549	1.8
171.10135	1.7
171.13771	15.8
173.06018	2.6
173.09631	2.2
175.07515	5.0
176.04562	1.1
177.05472	2.7
177.09044	1.4
179.03383	1.4
187.07581	2.6
189.05423	3.2
189.09146	4.4
189.14830	29.4
190.15079	1.4
191.10660	3.6
199.07516	1.4
201.05466	1.7
201.09140	5.5
203.10703	2.1
207.06432	6.6
213.09093	1.2
215.10521	4.7
217.08765	1.0
219.10115	9.7
225.09084	1.8
231.10077	5.5
243.10159	5.1
251.06859	1.3
263.07016	2.0
267.06497	1.5
271.05978	1.1
282.05191	1.4
283.06046	3.3
285.07599	1.4
293.07892	1.5
295.06036	3.1
299.05646	1.1
305.08371	1.0
307.09573	1.0
308.06604	1.5
309.07516	1.5
313.06833	1.5
315.08807	1.2
325.10684	2.6
337.10602	1.1
339.12415	1.2
351.12134	6.8
368.12296	2.5
369.13303	27.5
374.03680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83637	2.4
52.92590	2.9
53.03944	3.9
55.05505	19.8
57.07060	13.3
59.81419	2.6
65.03916	4.8
67.05499	38.1
69.03397	8.7
69.07054	25.0
70.12840	17.9
71.04980	10.9
79.05489	38.4
81.07047	55.5
83.04975	6.0
83.08591	12.6
85.06502	3.3
91.05473	50.5
91.15195	2.6
93.07038	75.1
95.04964	37.2
95.08597	61.5
97.06536	14.9
103.05427	5.0
105.07016	89.1
107.08576	53.7
109.06528	15.7
109.10156	46.1
111.08074	5.5
115.05457	4.9
116.06234	3.0
117.07032	24.1
119.08566	100.0
121.06491	11.6
121.10144	47.4
123.08039	7.1
123.11678	14.3
128.06218	7.9
129.06995	18.6
130.07759	6.5
131.08551	57.0
133.10117	62.6
135.08029	17.9
135.11670	27.5
137.09604	8.2
141.07016	6.1
142.07729	23.0
143.08553	42.1
144.09306	9.4
145.06425	3.7
145.10129	67.1
146.07262	6.6
147.08064	14.5
147.11681	28.0
149.09596	18.5
149.13202	4.6
155.08525	14.0
156.09329	12.2
157.10107	56.7
158.10841	6.7
159.08041	10.1
159.11674	36.4
160.12482	3.3
161.09619	50.7
161.13208	14.1
163.11192	7.8
163.14903	3.3
165.07037	3.5
166.07616	3.9
167.08545	6.8
169.10081	20.8
170.10844	4.9
171.08064	4.3
171.11699	32.4
172.12207	3.6
173.09616	10.9
173.13232	22.8
175.11180	8.0
175.14803	18.1
179.08485	7.4
180.09340	4.8
181.10088	11.2
182.10918	4.0
183.11671	22.5
184.12503	5.3
185.09605	6.7
185.13202	15.6
186.13982	3.8
187.11116	3.1
187.14789	19.2
189.12729	5.4
193.10115	7.5
194.10959	11.0
195.11711	13.6
196.12299	5.2
197.13191	16.3
198.13914	4.0
199.11238	4.3
199.14832	14.6
201.12712	8.0
201.16351	10.9
207.11760	5.0
209.13264	22.1
210.13979	5.0
211.14722	13.2
213.12769	5.5
213.16342	6.3
217.15982	3.2
221.13216	4.7
223.14803	8.4
225.12614	4.1
225.16383	5.3
227.14238	24.8
229.15941	3.6
231.17419	3.2
237.16212	6.2
239.17931	9.9
249.16425	5.9
251.17981	4.0
253.19427	3.9
255.17441	8.0
257.18820	5.4
265.19571	4.4
267.17392	3.6
269.19025	5.0
281.18988	3.4
297.22165	3.7
349.25241	17.7
367.18936	7.1
367.26367	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18873	0.5
53.03925	0.9
55.01845	1.4
55.05502	8.9
57.03421	1.2
61.02916	1.7
67.05475	2.3
67.05820	0.5
69.03419	4.3
69.07051	1.9
69.89759	2.6
69.90168	1.1
71.04961	0.8
73.02892	0.7
79.05466	1.5
81.03387	1.6
81.07049	3.3
83.04979	0.7
83.08606	8.0
85.02891	11.5
85.06531	1.0
85.52110	0.5
91.03931	0.9
93.07012	1.9
95.08633	0.7
97.02879	3.3
97.10160	19.7
98.20837	1.1
99.04512	0.9
107.08588	6.2
109.02872	1.2
109.10166	0.5
111.08052	1.0
123.38120	0.5
125.09605	22.0
127.03903	1.9
135.08025	1.5
137.02336	1.1
139.03870	0.7
140.42706	0.5
143.10667	2.2
145.04973	2.1
153.09077	1.7
161.05836	0.6
162.06306	1.4
163.03889	0.7
165.12692	0.6
169.12233	0.6
171.10152	5.5
180.08640	5.0
189.11192	100.0
190.11609	2.9
205.08572	0.8
206.08868	1.7
206.13849	1.8
207.13792	2.0
339.04907	0.7
341.06329	0.8
368.05145	1.5
369.05969	1.7
369.14612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Betaenone A
Peak:m/z	Relative Intensity
50.59979	0.7
53.03944	2.3
55.01864	6.0
55.05503	10.8
57.03431	4.8
57.07058	2.2
59.04998	1.3
65.03933	1.6
67.05499	23.2
69.03425	2.6
69.07058	17.7
70.01092	3.5
70.01502	2.1
71.00588	0.8
71.04987	2.2
71.08635	1.0
78.25759	0.7
79.05484	20.8
81.03411	1.5
81.07044	30.3
83.04957	6.4
83.08609	6.0
85.02881	1.1
85.06543	1.4
91.05461	22.6
93.07035	29.0
95.04957	8.8
95.08589	21.1
97.06514	8.0
97.10162	3.1
99.08119	1.0
101.02309	0.8
105.07014	26.3
107.04954	7.8
107.08574	18.5
108.08902	0.8
109.06501	10.0
109.10127	7.6
111.08058	1.6
116.00322	0.7
117.06995	8.7
119.08566	14.7
121.06488	12.6
121.10137	11.0
123.04478	0.9
123.08066	5.2
123.11691	3.3
125.09607	2.3
128.06204	1.0
129.06979	3.9
131.08551	18.7
133.06474	2.9
133.10112	17.8
134.10353	0.8
135.08041	5.5
135.11661	5.1
137.06058	0.9
137.09612	3.1
139.11092	0.9
141.06993	2.4
143.08598	4.5
145.06441	3.3
145.10107	15.9
147.08040	3.4
147.11667	11.2
149.09595	7.2
149.13252	3.3
151.11189	3.5
155.08534	2.5
157.10141	4.1
159.08043	3.0
159.11679	9.8
161.09618	4.1
161.13245	2.9
163.11177	7.4
163.14787	0.9
167.08466	1.1
169.10124	2.0
171.11716	2.3
173.09625	3.5
173.13269	6.4
175.11197	3.5
175.14793	1.4
177.12769	3.3
183.11703	3.1
185.13268	1.6
187.11136	1.5
189.12799	1.5
191.14328	2.4
195.11665	1.9
197.13266	2.8
199.14830	1.1
201.12730	3.4
207.13823	3.4
211.14883	1.0
215.17931	1.7
219.13808	2.4
229.19464	1.9
231.17578	1.3
233.15440	1.0
233.18979	1.2
239.17915	3.6
247.20531	4.3
255.13834	1.0
257.18979	15.1
257.21439	1.5
258.19290	1.2
275.20026	100.0
276.20364	4.9
293.21106	11.4
339.44879	0.9
349.23746	51.0
350.24069	2.3
367.12177	1.0
367.25122	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01860	6.3
55.05505	27.5
57.03429	20.8
57.07054	4.8
61.13144	1.3
61.98213	1.9
65.03931	2.5
66.76956	1.6
67.05495	86.8
69.03436	1.8
69.07059	25.3
69.78542	8.7
71.04974	5.8
75.98741	1.4
79.05482	56.0
80.05785	1.4
81.03426	2.1
81.07043	100.0
83.05000	7.5
83.08608	13.4
83.18954	1.5
85.06548	9.2
91.05466	72.0
93.07030	67.2
93.07476	1.2
93.07639	1.5
94.07330	1.4
95.04960	8.9
95.08593	56.4
96.08939	1.5
97.06528	11.2
97.10156	7.4
99.04439	1.7
99.08071	4.7
105.07018	34.7
107.04969	2.4
107.07896	2.8
107.08575	33.6
109.06509	4.5
109.10156	17.0
111.08059	10.7
113.05917	1.8
117.06993	18.7
117.69907	1.4
119.08562	28.7
120.22986	1.4
121.06469	4.2
121.10131	29.1
123.08069	6.8
123.11689	3.8
125.09602	4.8
129.06999	5.0
131.08551	26.4
133.10109	30.9
134.10449	1.7
135.08040	16.3
135.11687	16.8
137.09584	5.5
139.11163	2.4
141.06972	2.9
143.08543	5.5
145.10085	21.3
147.11693	16.2
149.09578	12.2
149.13257	8.0
151.11220	2.3
153.09067	2.0
157.10109	6.8
159.11671	21.2
161.09557	2.9
161.13242	6.3
163.11156	9.0
165.12717	3.0
167.03397	1.8
167.10739	2.2
169.10088	2.9
171.11664	9.2
173.09579	1.7
173.13223	10.7
175.11165	3.9
177.12723	19.2
183.11594	3.5
189.12662	2.0
191.14384	2.9
195.13826	5.3
195.97647	1.5
197.11578	1.6
197.13254	4.3
223.09593	2.3
239.17976	10.7
247.20454	1.7
255.04243	1.6
257.18951	13.5
275.20020	58.0
276.20264	2.5
293.21045	2.7
313.09500	1.4
321.18338	1.6
349.23740	11.1
367.19308	5.0
367.24759	87.3
368.25162	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	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34571	0.8
52.37649	1.0
53.03912	0.9
53.65302	0.9
54.54602	0.7
55.05489	1.9
61.02926	0.9
67.05498	9.2
68.40840	0.8
68.98560	0.8
69.03414	1.6
69.07059	44.2
69.62299	7.4
71.04986	3.8
79.05489	1.0
81.03374	1.0
81.07049	5.9
85.01639	0.8
85.02893	4.6
85.84973	0.8
91.05464	1.7
93.07023	1.4
95.04932	1.1
95.08596	24.4
97.02875	1.5
97.06524	1.5
98.20667	1.7
99.04401	1.0
107.08582	9.1
109.10141	100.0
110.10464	1.4
113.05965	3.2
113.09626	52.7
123.11697	14.8
127.11179	25.1
133.06494	0.9
133.10143	3.2
139.03889	1.7
151.11174	11.1
163.04036	1.0
169.12215	33.3
180.08653	2.0
187.13263	37.8
213.09042	1.3
256.33740	0.9
367.11591	6.4
367.15442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.9
56.96309	3.7
56.96613	39.6
57.03222	1.1
57.03482	3.0
61.02969	2.2
69.03482	5.8
71.05025	1.3
71.78101	0.9
73.02973	2.4
74.97659	0.7
81.03474	2.5
84.08203	0.7
84.96027	3.5
85.02901	12.8
86.03295	0.8
87.04514	1.1
87.12740	0.6
89.03980	2.8
91.04008	0.7
97.02885	7.8
98.96980	1.6
98.97568	33.4
99.04459	0.9
100.99124	14.7
109.02927	1.7
110.97552	10.1
112.99114	3.1
115.00732	1.0
115.03994	0.7
116.98600	17.9
117.03439	2.5
119.00172	13.4
119.01869	3.2
119.09351	0.6
121.01746	1.0
122.07199	1.0
124.99142	1.0
127.00779	0.9
127.03907	4.3
128.02393	0.6
128.98593	14.4
131.00157	5.5
131.01900	0.8
133.01753	1.5
133.03491	0.8
134.99626	5.8
135.04399	5.2
137.01192	4.9
140.00287	1.1
143.00146	4.4
144.98096	1.4
145.01735	10.2
145.02867	2.0
145.03885	0.9
145.04884	3.4
146.99632	9.8
147.03166	0.9
148.03929	1.4
148.33842	0.6
149.01180	4.3
152.91600	0.6
152.98634	1.4
154.03799	0.6
157.01782	1.5
158.99593	7.6
159.05098	0.8
161.01234	6.6
161.02937	0.9
161.05669	0.9
162.99261	1.5
163.02826	50.4
163.03995	21.1
164.04286	1.2
165.00793	1.3
167.04741	1.3
168.03539	0.9
169.04494	1.0
170.05229	3.6
170.06450	0.8
170.99637	6.0
173.01331	1.6
173.03014	2.0
175.02869	2.5
175.04578	0.8
177.00706	8.2
177.04257	1.8
178.04909	3.4
179.00560	0.5
179.02348	2.6
181.03815	29.3
182.06480	0.7
182.99666	0.7
186.04424	1.0
187.02849	3.6
187.04503	0.9
187.06284	0.7
187.62364	0.7
189.00694	6.7
189.02040	0.6
189.04315	1.0
191.02316	2.6
191.03986	1.6
192.98787	0.6
193.03807	0.9
195.01830	1.1
199.04982	0.8
201.00688	4.4
203.02240	0.7
205.03821	9.9
206.04494	1.6
207.01775	1.2
209.03333	0.7
217.00253	0.8
217.03806	4.6
217.07431	0.8
219.01738	28.0
219.05429	2.0
220.05977	1.5
221.05063	1.4
223.04794	3.8
228.06918	1.4
231.05367	1.0
233.03412	1.1
235.04866	1.0
237.02789	66.9
238.03195	1.7
241.03845	1.6
242.03474	1.7
245.05098	2.1
246.07971	1.1
247.04874	4.7
248.05470	2.3
248.99245	1.2
249.02798	1.0
249.06398	1.3
251.04532	1.0
255.03946	5.2
255.06337	1.1
259.04895	1.2
260.04395	1.9
261.02884	2.5
263.04163	1.3
264.06924	3.1
264.57245	1.5
265.05655	1.3
267.03851	1.2
269.05566	0.8
271.05447	0.7
272.06445	4.4
277.05988	0.8
279.03897	1.3
279.09296	1.1
281.05426	2.3
281.09274	1.1
286.08167	0.9
287.06744	1.4
289.05832	1.0
291.03851	1.7
295.07025	4.0
307.06961	100.0
308.07288	4.0
309.04807	0.8
321.04776	1.7
325.08008	59.8
326.08380	1.8
348.09512	2.6
367.09009	33.3
368.09308	2.1
386.95407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
59.04975	1.0
67.05490	6.9
69.03407	2.7
69.07059	41.7
69.91434	1.7
69.91836	6.3
71.04994	6.9
81.03420	1.2
81.07039	6.6
83.08615	1.2
85.02898	9.5
85.06481	1.1
91.05450	1.3
95.04936	1.7
95.08585	2.4
97.02890	1.9
97.06496	1.3
97.54202	1.0
99.04404	1.2
105.07009	1.7
107.08578	8.6
109.10144	100.0
110.10444	1.3
111.04432	0.9
113.05994	3.5
119.08567	1.4
121.10114	2.1
123.10789	1.3
123.11688	20.2
127.03900	1.6
127.11172	20.5
131.08606	1.0
133.10114	2.6
136.06136	1.4
139.03859	6.4
141.12758	2.2
145.04863	1.1
151.11185	11.9
169.12221	31.4
187.13271	24.7
195.08151	1.1
213.09196	1.9
235.09711	1.4
367.11749	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
54.13443	0.6
55.01856	1.5
55.05499	1.7
57.03426	4.7
57.07060	1.0
59.04974	1.2
60.04519	7.5
61.02916	1.5
67.05495	4.9
69.03403	2.5
69.07061	30.8
69.65326	3.3
69.65733	1.9
71.04984	5.9
73.02902	0.8
79.05499	3.3
81.03387	1.0
81.07047	16.5
83.04962	0.9
83.08585	0.7
85.02892	8.4
85.06537	0.6
87.04466	0.6
91.05462	2.1
93.07032	5.1
95.04943	2.1
95.08595	4.2
97.02860	2.7
97.06521	8.2
99.04437	1.9
105.07047	3.5
107.08582	16.0
109.06509	1.2
109.10136	7.0
111.08067	1.2
111.22411	0.6
113.05998	3.6
113.09612	0.8
115.07550	1.5
117.05456	1.3
121.10106	0.9
123.08011	1.5
123.11690	8.5
127.03862	1.6
127.07516	1.0
127.11195	10.8
133.09337	0.7
133.10135	8.4
139.03937	0.8
141.09093	0.8
145.04933	1.4
151.07578	0.7
151.11166	17.9
169.12227	100.0
170.12514	2.1
187.09657	2.5
187.13293	2.4
204.10074	0.7
214.46614	0.8
217.45277	0.7
273.16916	0.6
330.26367	2.0
331.17581	1.7
348.27475	4.1
366.28473	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44680	0.6
53.03931	0.7
55.05501	8.8
57.03421	2.2
57.07058	2.5
59.04976	1.4
59.63868	0.8
61.02908	1.8
67.05499	17.0
69.03414	5.1
69.07056	8.4
70.99696	2.4
71.04988	8.1
79.05482	3.8
81.03400	2.0
81.07047	76.7
83.08595	3.4
85.02897	12.0
85.06540	12.9
87.04491	0.8
89.06015	2.1
91.03933	0.8
91.05453	1.0
93.07027	9.5
95.04956	5.7
95.08592	16.7
97.02889	3.5
97.10162	8.3
98.06914	0.7
99.04414	2.5
99.08073	1.8
105.07012	1.8
107.04976	0.8
107.08573	5.0
109.06498	2.9
109.10140	17.1
111.08070	2.4
113.05997	1.9
115.56565	0.7
115.57520	0.7
121.10098	1.6
123.04475	1.0
123.08105	1.2
123.11693	74.1
124.12054	1.2
125.09607	2.7
127.03878	2.6
127.11169	15.3
133.10117	5.5
136.78670	0.8
141.12730	3.1
145.04893	2.6
151.11166	17.3
169.12222	100.0
170.12592	2.1
180.08714	1.9
187.13278	80.7
188.13530	1.2
191.08360	0.8
362.12665	0.9
367.11673	1.1
367.16083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01862	3.0
55.05502	9.0
57.03424	3.6
57.07035	3.0
59.04992	7.4
60.04514	12.5
61.02903	2.7
67.05495	31.6
69.03426	15.4
69.07053	10.0
71.04990	18.4
74.26244	2.7
74.64563	2.4
79.05476	23.8
81.03413	4.3
81.07045	97.4
83.04974	3.8
83.08617	5.0
85.02888	28.2
85.06535	34.5
86.09702	2.9
86.45670	3.0
87.04446	5.5
91.05457	41.2
93.07030	92.5
94.07342	3.0
95.04953	10.1
95.08584	23.2
97.02872	9.0
97.10160	11.6
99.04464	8.0
101.39207	3.1
105.07018	36.0
107.08576	53.8
109.06488	5.3
109.10143	37.9
111.08087	14.9
113.05974	15.5
120.08121	3.1
121.10143	8.2
123.04452	4.8
123.08050	9.6
123.11688	55.2
125.09600	34.0
127.03904	4.8
130.04964	3.6
133.10107	55.5
139.03903	3.5
141.09099	11.8
143.08612	3.3
143.10655	18.1
145.04938	4.4
147.04440	5.3
151.07471	2.8
151.11151	60.0
153.01868	2.5
162.05557	2.8
166.45258	2.8
167.10706	3.2
168.10985	3.7
169.08574	12.5
169.12230	96.8
187.09639	21.8
187.13275	13.9
188.58504	2.9
203.00710	3.5
205.04921	100.0
207.07658	3.9
223.05962	4.0
231.08809	3.4
281.14932	4.9
331.86075	2.7
345.84705	2.8
348.27271	5.0
366.28363	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.3
55.05493	7.2
57.03424	4.2
57.07061	3.0
61.02907	5.2
67.05492	13.3
69.03072	2.8
69.03419	46.4
69.07055	18.0
69.55206	2.7
70.06591	3.1
71.01344	2.3
71.04971	16.9
71.06303	4.8
71.06643	2.8
71.11921	2.5
79.05467	3.8
81.03408	36.0
81.07047	43.7
83.04958	2.3
83.08608	4.2
85.02893	68.8
85.06528	7.2
85.34051	2.1
87.00813	31.0
87.04440	5.7
91.05521	2.7
93.07016	7.2
95.04953	7.1
95.08575	14.5
97.02879	67.7
97.10148	4.7
98.89137	2.3
99.04442	29.6
104.44531	2.2
105.01845	18.6
105.06967	3.2
107.08572	8.2
109.02879	10.8
109.06487	3.3
109.10129	32.5
110.20547	2.3
115.03951	3.3
120.08044	2.3
123.04370	3.6
123.11698	46.7
125.09600	3.1
127.03898	100.0
127.11161	16.2
128.04233	3.3
133.10094	4.7
141.77341	2.6
145.04938	74.2
151.11177	17.4
169.08635	3.8
169.10783	4.1
169.12221	80.8
170.12573	2.5
171.02972	2.6
187.09683	4.6
187.13268	47.4
231.04984	60.2
246.39493	2.7
249.06010	25.4
262.01523	2.2
282.09598	3.7
296.88577	2.2
348.14273	6.6
366.15286	6.2
367.11462	2.4
389.89459	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.8
57.03416	2.1
57.07068	1.9
60.04519	1.6
60.26272	0.9
61.02915	1.6
67.05505	9.6
69.03416	5.9
69.07053	4.0
70.82891	1.7
70.83262	2.9
71.04989	5.5
73.88601	0.9
79.05466	2.2
81.03397	1.8
81.07043	29.2
83.08618	2.2
85.02902	10.8
85.06512	1.5
86.09682	4.0
91.05463	1.9
91.46986	1.0
93.07033	12.3
95.04945	1.7
95.08594	56.3
96.08953	1.6
97.02893	2.4
97.06506	2.1
99.04456	8.5
99.08057	1.3
105.07028	1.9
107.08603	4.7
109.02788	1.2
109.06503	3.9
109.10143	20.0
111.08054	1.7
113.05980	8.3
120.08078	5.1
123.08069	1.0
123.11693	53.4
124.12012	1.3
125.09624	1.3
127.03893	2.2
127.07562	3.1
127.11224	1.4
133.10118	9.1
145.04935	1.8
145.07492	1.1
151.11165	43.1
153.01823	1.3
159.09206	1.4
166.08578	1.2
169.12221	100.0
170.12578	1.2
173.12849	7.0
187.13307	3.5
190.09714	4.3
191.08095	6.7
201.12344	1.4
209.04396	5.2
217.08632	1.2
249.00156	1.8
276.00351	1.4
276.99890	4.9
306.14545	3.4
344.27509	1.0
348.14331	3.1
367.11380	1.9
367.16061	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	366.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09040	0.3
56.96574	0.9
64.02586	0.4
70.84402	0.7
70.84760	0.9
97.49879	0.3
97.97203	0.4
98.97543	2.2
101.00840	0.5
116.98609	3.1
119.01904	5.2
134.99641	3.5
137.02939	2.6
137.57150	0.4
153.00812	1.2
177.00929	14.8
178.01021	0.8
182.99991	1.0
192.98849	0.5
201.00917	0.6
216.98802	1.0
217.04039	1.9
219.01979	24.3
220.02135	0.7
221.01944	0.6
222.97865	0.6
223.98393	0.5
225.01056	1.5
234.99956	9.5
236.00037	1.5
240.98961	1.3
242.03551	1.0
243.01961	3.7
250.97705	0.6
253.01083	2.7
258.99982	17.1
260.00098	2.8
261.03040	77.3
262.03226	0.7
263.03046	0.8
264.98697	2.7
265.98932	0.6
266.03860	0.7
273.98807	0.4
274.97491	2.6
277.01004	29.0
278.01083	4.3
279.00818	1.1
282.99957	40.4
284.00064	6.4
284.04596	4.1
290.95441	0.5
291.99820	1.0
292.98526	1.8
300.02676	0.9
301.01010	100.0
302.01147	14.8
303.01096	1.1
313.58560	0.4
319.02011	6.3
320.02115	1.2
324.02524	4.2
325.00919	8.8
326.01196	1.3
332.96478	0.6
343.02057	52.9
344.02197	8.1
361.03149	17.9
362.03000	2.6
364.00961	0.5
366.03815	2.3
367.03485	0.5
372.51749	0.5
373.01407	0.9
384.04654	0.7
385.03186	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01868	7.2
55.05502	27.0
56.96556	3.4
57.03427	10.7
57.07066	2.2
59.04985	2.0
61.02903	3.6
61.03185	0.8
62.15004	0.8
67.05493	32.8
69.03415	13.7
69.07056	40.0
71.04982	5.4
71.78005	1.1
73.02888	1.7
75.34554	0.7
79.05037	1.6
79.05477	24.7
81.03397	7.5
81.07043	27.1
83.04974	5.3
83.08604	9.7
85.02876	4.1
85.06515	1.1
91.03945	2.0
91.05457	14.4
93.07024	19.6
95.04943	10.1
95.08581	13.2
97.02872	17.7
97.06491	5.8
97.10162	15.7
98.97576	1.3
99.04424	1.7
105.07016	13.3
107.04942	7.4
107.08568	17.9
109.02872	1.3
109.06496	3.9
109.10143	12.2
111.04452	1.0
111.08066	3.8
113.05994	1.1
115.05432	0.9
116.98573	1.2
117.06978	6.7
119.08569	14.2
121.06496	2.9
121.10125	7.9
123.04403	1.0
123.08025	4.2
123.11673	2.7
125.09607	12.4
125.85347	0.8
127.03893	1.7
128.06242	1.1
129.06985	2.5
131.08557	8.9
133.06432	2.4
133.10098	7.3
135.08020	4.8
135.11668	3.7
137.09605	3.6
137.36284	0.9
139.11220	1.0
143.08540	3.6
145.10085	7.1
147.08022	4.8
147.11694	3.8
147.41553	1.0
149.09586	2.1
149.13225	3.1
151.11157	1.4
153.09087	1.9
157.10126	2.9
159.11658	4.1
161.09656	2.8
161.13185	1.2
163.11142	1.8
165.09102	3.6
169.10036	1.1
171.11638	1.9
173.09595	1.1
173.11789	1.1
175.11180	3.7
177.00670	0.9
177.12692	2.0
179.10661	1.1
181.09959	0.8
185.09607	1.1
185.13185	1.6
187.14748	0.9
189.11185	7.0
189.12668	1.3
193.12180	2.5
195.13742	2.1
199.11156	0.9
203.05936	1.4
203.49673	0.8
205.12262	2.4
213.14725	1.0
223.13235	27.7
224.13406	1.2
227.12717	1.0
227.17914	0.9
238.17931	1.7
243.08728	1.0
245.19011	2.2
246.14120	1.0
255.17274	2.3
257.04694	0.9
257.10449	1.3
263.20135	1.8
267.09003	5.8
269.10645	3.1
273.18454	16.5
275.11530	1.0
284.12683	1.8
285.10059	19.0
286.10342	2.0
287.11490	1.5
291.19485	100.0
292.19876	3.7
301.13290	2.4
303.11026	1.3
308.11664	2.3
327.08362	1.0
329.20779	1.1
347.22110	3.4
365.23184	57.6
365.77133	3.8
366.10312	0.9
366.23535	2.5
381.88077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46841	0.2
59.43082	0.2
67.29980	0.2
71.20401	0.6
72.67181	0.2
119.69817	0.2
152.13213	0.2
185.04195	19.2
186.04532	0.3
203.05241	38.3
204.05589	1.0
210.75424	0.2
221.04459	0.3
221.06392	0.4
244.07729	0.2
245.04750	0.6
365.10510	100.0
366.10849	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1955
Annotation	Amethystonoic acid
Peak:m/z	Relative Intensity
51.89336	0.8
55.01855	2.5
55.05496	3.1
56.96552	1.9
57.07057	2.2
59.04983	1.4
63.26331	0.8
67.05492	6.8
69.03391	2.2
69.07048	3.6
69.89413	3.4
69.89848	3.3
70.06557	1.0
70.52599	0.9
71.04984	11.7
79.05469	7.2
81.03391	1.8
81.07040	8.2
83.04958	1.4
83.08606	1.7
85.02880	2.6
85.06534	1.9
91.05457	6.7
93.07030	12.7
95.04942	4.4
95.08591	5.9
97.02859	1.9
97.06496	2.9
99.08045	1.7
103.05445	2.4
105.03358	1.5
105.06320	1.9
105.07011	25.1
106.07855	1.1
107.04935	3.5
107.08564	8.4
109.02851	2.1
109.06494	4.4
109.10129	4.3
111.08052	3.4
113.05992	11.0
115.05400	1.0
117.06981	3.5
119.08568	10.3
121.06548	2.1
121.10129	100.0
122.10417	2.7
123.04401	2.5
123.08070	5.8
123.11694	6.8
125.05991	1.2
127.07507	2.6
129.07043	1.0
131.08531	3.7
133.06436	2.6
133.10080	4.8
135.04378	2.2
135.08032	3.3
135.11668	14.1
137.02385	1.2
137.05949	1.3
139.07501	1.0
141.06915	1.3
142.07697	1.2
143.08553	3.4
145.06462	2.0
145.10101	7.7
147.08047	2.0
147.11685	6.1
149.02261	2.1
149.09589	1.5
151.03893	1.1
151.07455	1.8
153.01825	1.4
153.05434	3.5
154.07729	1.1
155.03387	2.0
155.08479	1.8
156.09178	1.1
157.10086	4.6
159.07956	1.6
159.11612	2.7
161.05916	3.4
161.09627	1.7
163.07513	2.9
163.11115	1.8
165.05486	1.7
169.10081	2.0
171.08052	2.3
171.11635	2.8
173.09558	6.1
175.11185	7.3
177.12793	1.0
179.07005	1.6
180.09337	1.0
183.11673	1.5
184.94237	1.0
185.09631	5.3
185.13205	1.2
187.07538	1.2
187.11115	3.0
189.05431	2.0
189.09068	2.2
191.07018	4.0
191.10599	3.5
193.04964	2.7
193.12206	2.2
194.62766	1.0
195.11642	2.5
199.11137	1.9
201.09116	1.7
203.10666	13.8
207.06505	5.1
209.08063	11.0
209.13193	1.2
211.11241	2.0
213.07584	2.7
213.12775	2.9
215.10640	2.0
217.12215	3.2
219.10146	1.9
221.11681	4.7
223.11086	1.2
225.07472	8.9
226.09831	2.3
229.12285	1.8
231.13879	1.3
233.11740	2.0
239.10567	2.0
241.12178	17.5
241.15906	1.1
242.12469	1.4
243.10110	4.1
245.11581	1.4
245.19397	1.0
255.17407	1.8
257.11713	6.8
259.13254	9.0
267.08957	1.5
273.18460	3.7
275.12680	2.7
283.16992	4.8
285.09940	3.4
293.00876	1.0
293.15259	1.9
301.17825	2.7
303.18893	1.1
311.16425	11.1
312.16763	1.5
319.18970	1.5
329.17426	36.0
329.20755	1.3
330.17682	2.4
347.18451	21.4
347.22076	1.5
348.18695	1.9
365.10052	2.4
365.14008	1.3
365.19345	5.4
365.23923	2.2
366.22665	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	365.063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	24.1
57.03439	3.3
67.05495	6.1
69.03407	5.1
69.07057	4.2
70.06579	6.1
71.79137	3.7
79.05468	4.2
81.07038	8.9
83.04956	7.3
84.08121	4.7
84.95999	3.7
85.02879	8.3
93.07043	6.3
95.04965	4.8
97.02877	5.3
98.97567	16.6
107.08567	7.9
109.10115	4.4
110.07125	3.8
110.97523	3.8
111.04419	7.2
116.98564	6.5
121.10094	3.4
123.04396	2.8
123.08002	4.6
125.09596	2.9
125.88360	3.0
128.98557	7.2
134.09602	2.9
134.99619	7.1
135.04393	6.0
139.03818	3.8
139.11159	4.0
141.09044	3.4
146.99596	9.0
147.04422	4.8
152.51283	3.7
153.09033	7.8
153.57896	3.0
163.03880	28.1
167.07027	7.4
167.10646	9.3
168.07387	3.1
171.10126	9.6
185.11780	4.1
195.03189	4.0
202.06697	3.7
203.12814	3.9
213.04257	9.4
221.04671	6.0
222.04657	3.2
231.08807	4.2
237.02776	12.6
239.02171	13.4
253.00301	3.5
257.03238	9.8
263.08463	19.9
311.90579	3.6
347.11832	4.0
365.05914	100.0
365.13516	7.1
366.06610	4.8
366.11078	20.5
383.06494	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	365.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65469	0.4
55.01857	0.4
55.05507	0.7
57.03428	2.3
60.04504	0.5
61.02853	0.4
66.08147	0.4
67.05493	0.7
69.03397	1.5
69.07062	12.7
71.01329	0.8
71.04983	1.0
71.80668	0.8
73.02906	0.7
73.06527	1.4
75.04487	2.2
79.05470	1.3
81.07043	2.0
83.04969	0.6
85.02898	5.4
85.06525	0.5
91.05473	1.1
93.05492	0.6
93.07009	1.5
95.01335	2.5
95.04963	0.5
95.08569	1.4
97.02856	0.7
97.05945	0.8
97.06522	9.3
99.00833	0.7
99.04429	0.8
103.03918	0.6
105.06995	0.8
107.08558	1.2
109.06438	0.6
109.10174	0.6
113.02332	1.8
115.07555	30.7
117.05453	0.6
117.06954	0.5
119.08590	0.5
121.06480	0.7
121.10086	1.9
123.04426	0.5
123.08013	1.1
131.03322	0.7
133.06616	0.4
141.01808	6.9
147.07968	0.5
151.07463	0.8
159.02893	1.2
167.06996	2.3
167.10640	1.1
168.11034	1.2
169.08612	0.4
169.12175	1.0
171.00540	1.5
173.93787	0.4
185.04190	5.6
186.08246	0.5
187.05981	0.7
187.09607	0.7
189.11224	2.1
203.03130	100.0
204.03491	2.5
207.07713	1.0
215.05432	2.8
219.02940	0.5
221.04192	0.6
228.64651	0.4
231.10028	0.8
233.06551	1.7
243.16731	0.5
244.05820	1.2
258.09491	0.6
259.10007	0.6
287.09875	0.5
305.11078	0.8
322.77664	0.4
329.17548	0.8
333.10370	0.4
347.11426	1.5
347.18488	0.7
365.08405	43.5
365.12683	5.3
366.08759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41316	0.8
53.03921	1.1
54.02831	0.8
55.01860	2.1
55.05487	1.4
57.03427	1.6
61.02909	3.2
61.73978	0.9
63.57572	0.8
67.05482	2.8
69.03390	5.0
69.07057	15.6
69.54459	0.8
70.06564	1.1
71.04980	52.5
71.78423	1.3
72.08131	4.1
73.06551	1.3
79.05473	5.0
81.03405	1.5
81.07045	6.7
84.04443	0.9
84.08142	1.0
85.02888	12.7
85.06522	1.6
87.00803	1.1
91.05468	2.1
93.07025	10.3
95.04902	1.5
95.08600	7.7
97.02876	3.5
97.06516	14.6
99.04393	1.2
105.07015	2.2
107.08576	30.2
108.08891	1.7
109.02835	1.5
109.06477	2.1
113.06034	1.8
113.48286	0.9
115.07542	37.4
116.07852	1.7
119.08497	1.0
121.02839	1.1
121.06483	10.2
121.10123	28.7
123.08111	1.1
123.11667	2.1
124.07542	1.8
125.05946	1.4
125.09623	7.5
126.98283	0.9
127.03926	2.2
127.07526	4.0
131.08539	2.6
131.10037	1.0
134.46262	1.0
137.09579	1.0
139.11154	27.4
145.04922	3.0
149.05981	3.2
149.09593	9.7
159.11493	0.9
162.07664	1.0
167.07007	7.9
167.10651	100.0
168.07317	1.2
168.10974	3.4
180.08662	6.0
185.08113	2.8
185.11703	64.8
186.11989	3.2
202.14352	2.1
205.04964	2.9
233.08105	2.6
244.09694	2.4
245.08008	2.1
247.05981	1.2
275.00040	19.4
276.00372	2.5
287.09122	2.1
305.11246	2.0
317.10135	3.5
323.12320	1.0
328.70270	1.1
333.10770	1.2
346.25781	1.4
347.11197	1.1
364.04648	1.1
364.18610	1.4
364.23013	1.6
364.26962	1.0
365.13214	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79032	0.9
53.03935	1.0
55.05507	1.7
57.03428	4.0
57.07076	1.2
59.05003	1.5
61.02913	2.1
62.78954	0.7
67.05486	6.1
69.03430	4.4
71.22036	2.0
73.02904	1.0
75.04469	6.6
79.05479	9.1
81.03406	0.9
81.07042	14.2
81.70216	0.8
83.04980	2.0
85.02894	13.4
87.04461	1.4
87.95350	0.7
91.03958	0.9
91.05452	5.1
92.23409	0.7
93.07033	58.2
94.07353	1.7
95.04967	2.1
95.08584	7.5
97.02866	4.4
97.06493	2.5
99.04451	1.2
105.07025	5.9
107.08576	13.4
109.06501	1.6
111.04436	9.6
111.08060	7.2
119.08538	1.3
120.08079	0.9
121.10128	100.0
122.10504	2.2
123.08073	2.5
123.11701	9.3
125.05982	5.2
125.09610	1.3
127.03878	3.9
131.08504	1.7
136.47804	0.8
139.11154	21.2
145.04958	4.0
149.09613	16.3
156.09282	0.8
156.82913	0.8
162.07817	0.9
163.05965	0.9
167.10657	76.4
168.10994	2.0
177.87373	0.7
179.78471	0.8
180.08690	1.2
185.11751	3.0
188.49489	0.7
311.14941	1.3
364.14456	1.2
364.21255	1.6
365.15356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
56.11115	0.8
57.03432	6.0
63.68776	0.8
64.83560	0.8
67.05497	2.5
69.03414	2.7
69.07059	1.5
71.32605	2.6
75.04467	21.9
79.05477	5.7
81.03416	1.2
81.07040	6.3
85.02892	6.4
91.05459	9.1
93.07029	100.0
93.28460	0.9
94.07349	1.8
95.04954	2.7
95.08600	4.0
97.06520	1.3
99.39822	1.0
105.07031	3.7
107.08593	9.5
108.87990	0.9
109.10142	4.6
111.08056	11.6
112.61698	1.0
121.10127	62.3
123.08079	1.5
123.11691	3.8
125.05990	1.6
127.03901	2.1
131.08588	1.4
137.09599	1.4
139.11162	13.6
145.04977	1.0
149.09587	19.3
155.10683	1.6
162.94058	1.0
167.10655	69.6
168.11014	2.9
185.11690	7.4
222.76111	1.0
265.61356	1.0
275.00098	2.1
299.08890	1.0
314.41165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75271	0.8
55.05486	1.4
60.04516	9.3
61.02908	1.8
65.03937	1.4
67.05493	14.8
69.03416	3.8
69.07053	2.4
69.69169	2.8
69.69590	4.1
70.06570	1.4
71.04974	1.4
73.02894	1.5
79.05481	6.8
81.03423	2.3
81.07036	7.7
83.04955	5.4
85.02892	12.3
86.09686	1.0
91.05428	1.8
93.03406	2.9
93.07029	12.0
95.08590	8.1
97.02876	3.4
97.06516	2.7
98.20689	1.5
99.04446	2.1
105.07024	2.4
107.04926	1.5
107.08578	3.8
109.02879	1.9
109.06516	2.2
111.04427	31.1
111.08057	1.1
115.07530	1.4
116.07091	0.9
121.06477	1.6
121.10129	22.5
122.02417	0.9
123.11672	2.9
125.05971	8.8
127.03890	3.0
127.07566	0.9
139.11154	3.1
145.04913	5.8
145.10066	0.9
149.09587	15.7
152.40831	0.8
162.03059	0.9
163.06032	2.0
165.03667	1.0
167.10657	100.0
168.11018	3.0
180.08636	1.2
185.06471	0.7
185.08122	1.5
185.11687	2.9
196.06013	0.9
292.22504	1.0
311.14792	2.3
328.24747	1.7
346.25836	8.4
364.26904	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	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
53.34800	0.7
53.60785	0.8
54.91684	0.7
55.01873	0.7
55.05499	1.5
57.03430	7.2
57.03697	1.3
61.02916	1.4
67.05489	2.8
67.05824	0.8
69.03416	4.1
69.07052	1.5
70.90561	2.5
71.04994	1.2
75.04465	13.1
79.05492	8.9
81.03407	1.5
81.07041	8.7
85.02895	14.4
87.04457	1.9
91.03942	0.7
91.05459	9.2
93.07029	91.2
94.07344	1.8
95.04975	4.5
95.08605	5.0
97.02310	0.8
97.02849	3.9
97.06519	2.4
99.04426	1.4
105.04491	0.8
105.06978	5.2
107.08579	3.6
109.10136	10.3
111.08068	13.0
113.05980	4.5
119.08562	1.1
121.10125	100.0
122.10452	3.0
123.08052	2.6
123.11679	3.3
125.05995	2.7
127.03908	3.0
131.08546	1.7
136.65005	0.8
137.09595	3.7
139.11157	17.9
140.11484	0.8
145.04964	3.2
149.09596	12.8
155.10634	7.4
167.10652	43.8
168.10852	0.8
180.08607	1.2
184.13318	0.9
184.82388	0.8
185.11726	2.1
212.87167	0.8
233.08043	3.4
263.09360	0.9
276.67386	0.9
287.09167	3.3
317.10077	1.8
347.11209	1.6
365.11548	4.5
365.16251	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	363.2159
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
54.13378	0.3
54.26608	0.4
55.01587	0.3
55.01842	0.5
55.05460	1.8
57.03410	0.6
57.07069	1.9
59.04963	0.5
60.55532	0.3
67.05502	2.6
69.01981	0.4
69.03377	1.4
69.07053	2.3
70.06577	2.3
70.22561	0.4
70.31983	1.3
71.04946	0.8
71.06889	0.8
71.75790	0.4
75.12254	0.4
75.24245	0.4
79.05489	2.3
79.05835	0.5
81.07037	3.0
81.42980	0.4
83.01328	3.4
83.04926	0.7
83.08576	0.6
85.06506	0.9
86.09649	0.6
88.07571	0.8
91.05461	3.0
93.07030	11.2
95.04948	3.2
95.08591	2.1
97.06448	0.6
105.07008	2.6
107.04919	0.5
107.07916	0.6
107.08578	7.0
109.06468	1.0
109.10155	3.3
111.04412	3.2
113.06005	2.1
115.05410	0.4
117.06947	1.1
119.04867	0.6
119.08572	1.9
121.06507	3.4
121.10059	1.5
121.10835	0.4
123.04411	3.2
123.07992	1.3
123.11656	1.1
129.06940	1.0
131.08485	1.3
132.10161	0.8
133.06435	0.7
133.10072	0.7
135.08034	4.0
135.10748	0.6
135.11667	7.6
137.05891	1.3
139.02893	0.7
139.03882	9.9
141.05412	0.9
142.13710	0.4
145.10057	1.3
146.11646	1.0
147.04315	0.4
147.08026	1.1
147.11588	0.4
149.05902	1.3
149.09622	3.2
151.03879	5.5
151.07504	0.6
153.05473	1.0
155.08493	0.6
158.07118	0.4
159.08018	3.2
159.11591	0.4
161.05925	0.7
161.09566	0.4
162.06763	2.6
163.07512	7.0
163.11156	1.3
165.05446	0.8
165.09097	0.9
167.07011	0.5
169.04901	1.5
169.08604	0.4
172.08728	0.4
173.09567	2.4
175.07506	2.1
176.08313	2.9
177.05490	1.0
177.09099	10.0
177.12640	0.9
179.03314	0.4
181.08522	1.4
181.10013	0.5
185.09512	0.5
187.07530	2.2
187.11058	1.1
189.08910	0.5
191.03288	0.4
191.07001	7.0
191.10629	5.1
192.07767	4.0
193.08574	3.3
195.10120	0.9
197.09662	0.6
201.05304	0.6
201.09123	2.4
203.06989	1.4
204.07809	0.9
205.08565	32.1
206.08984	1.1
207.10086	1.0
211.09636	2.8
215.10634	2.7
217.29755	0.4
218.09264	0.6
219.10141	20.0
220.10551	0.5
223.09621	29.3
224.09975	0.9
225.12813	0.5
228.07715	0.5
229.08578	0.9
229.12231	0.4
231.10046	0.5
233.08025	0.9
233.11554	1.8
237.11183	21.3
243.10126	11.1
243.13779	0.8
245.11743	0.6
246.08844	0.6
247.09534	0.7
256.11044	0.5
256.26266	0.5
257.11557	1.0
257.26624	2.2
261.11179	19.5
262.11511	0.4
267.10153	0.5
271.09637	3.7
271.13229	5.9
275.12811	1.0
275.16351	1.3
285.11197	0.8
289.14322	13.9
293.17389	0.6
295.09564	1.2
301.29260	5.2
307.08072	0.8
313.10699	5.1
314.11127	0.5
317.13855	0.8
327.19482	9.1
327.23157	0.8
328.19876	0.7
331.11761	1.2
345.20551	100.0
346.20865	5.2
363.14404	3.6
363.21652	4.3
363.32922	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	363.2161
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
55.05470	1.6
57.03388	0.4
57.07064	2.4
66.68365	0.5
67.05450	1.9
69.03365	1.5
69.07020	1.9
69.81860	3.2
70.06587	2.4
71.04945	0.7
71.06888	0.6
79.05435	2.0
81.07039	3.5
83.01325	2.5
85.06507	0.6
86.09663	0.5
88.07574	1.2
91.05479	2.9
93.07032	10.5
95.04887	1.0
95.08543	1.3
102.09135	0.7
105.06978	1.8
107.08580	7.2
108.08837	0.7
109.06463	1.2
109.10155	3.4
113.05981	2.7
117.06960	0.6
119.08492	1.3
121.06492	3.6
121.10075	1.4
123.08015	1.5
123.11636	0.8
129.06964	0.6
131.08502	1.8
132.10168	0.9
133.10374	0.4
135.08038	4.1
135.10799	0.4
135.11685	7.1
137.05945	0.5
144.05766	0.4
145.10063	2.0
146.11705	0.5
147.11816	0.6
149.09621	2.7
151.07523	1.0
153.05424	1.0
157.10162	0.5
159.08052	3.3
161.05875	0.5
162.06761	2.4
163.07524	5.5
163.11078	0.8
165.08978	0.7
167.06917	0.6
173.09630	2.5
175.07481	1.1
176.08337	2.3
177.05524	0.6
177.09074	9.6
177.12666	1.0
181.08514	1.0
187.07552	2.4
187.11154	0.9
189.09059	0.8
191.07027	5.3
191.10643	5.1
192.07777	4.4
192.10895	0.4
193.08614	3.6
197.09608	0.5
201.09041	2.2
203.10655	0.6
204.07719	1.3
205.08572	34.8
206.08856	1.1
211.09579	2.9
213.23962	0.6
215.10628	2.0
219.10136	18.7
220.10461	0.8
223.09621	30.4
224.09926	1.4
228.07800	0.6
228.11378	0.6
229.08591	1.4
229.12209	0.5
230.09242	0.4
233.11697	1.8
237.11182	19.4
238.11487	0.7
240.39005	0.5
243.10132	9.8
243.13776	1.1
244.10614	0.7
247.09746	0.6
256.26129	0.7
257.11609	1.1
257.26584	2.9
261.11188	18.3
262.11462	1.1
271.13275	6.9
275.12653	0.8
275.16272	1.2
289.14328	13.3
290.14709	0.7
300.28958	0.6
301.29291	6.3
327.19492	7.8
345.20557	100.0
346.20905	6.8
363.21530	2.2
363.32944	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	363.2159
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
55.05494	2.4
55.75271	0.7
57.03416	2.5
57.07062	1.8
62.39602	0.9
64.26962	0.6
67.05479	3.3
69.03421	1.9
69.07059	7.1
70.68540	2.7
71.04962	1.5
79.05464	2.5
81.07037	5.7
83.01331	3.3
88.78387	0.8
91.05465	2.5
93.07037	6.8
95.04931	0.9
95.08596	1.5
97.06473	1.0
100.66684	0.8
105.07011	5.5
107.08584	7.2
109.06524	1.1
109.10153	5.2
119.08566	1.3
121.06455	2.1
121.10117	1.9
123.08047	1.1
123.11690	11.0
131.08560	2.7
133.10155	1.6
135.08017	3.4
135.11674	7.4
139.07498	1.0
143.08484	1.2
145.10130	2.9
149.05948	1.0
149.09610	4.3
153.05458	1.2
155.07094	2.0
159.08023	3.4
161.09627	1.5
162.06723	3.0
163.07504	6.1
163.71739	0.9
165.05389	1.2
167.07079	1.0
175.07549	1.5
177.09085	8.4
181.08539	1.5
183.06535	1.4
187.07492	3.8
187.11127	1.3
189.09087	3.9
191.07018	2.6
191.10664	4.0
192.07735	1.1
193.08630	1.2
201.09123	3.1
203.07117	0.9
203.10704	0.8
205.08572	46.9
206.08882	2.2
211.09555	1.6
215.10666	4.2
217.08563	2.7
219.10126	2.6
223.09621	57.9
224.09962	2.5
228.11386	0.9
229.08659	4.6
231.10184	2.7
233.11850	1.0
235.09518	1.0
237.10933	1.1
243.10156	12.5
243.13831	3.0
244.10590	1.0
245.11650	2.9
247.09601	2.4
256.10834	1.2
257.11700	2.3
259.13348	1.7
261.11148	10.0
262.11435	1.2
271.13181	1.9
285.14685	1.3
289.14380	3.8
299.16248	4.1
301.17926	2.8
327.15921	1.4
327.19385	7.4
345.17062	6.0
345.20554	100.0
346.20938	4.9
363.17886	7.3
363.21408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
52.02652	0.1
53.00295	0.1
53.03934	0.3
55.01861	0.2
55.05497	1.3
57.03407	0.2
57.07052	0.4
59.04977	0.3
63.24238	0.1
65.03926	0.2
67.05494	2.2
67.73505	0.1
68.99360	0.1
69.03420	1.4
69.06757	0.1
69.07060	1.4
70.24776	0.6
71.04985	1.7
77.22510	0.1
79.05483	2.3
81.07045	3.6
82.01336	0.1
83.00856	0.3
83.01324	3.3
83.01823	0.2
83.04961	0.4
83.08584	0.5
85.02877	0.1
85.06526	0.3
91.05456	2.8
93.07030	11.5
94.07347	0.1
95.04953	1.3
95.08092	0.2
95.08604	1.9
97.06506	0.3
97.10143	0.4
98.20789	0.2
103.05508	0.1
105.07018	1.3
107.04919	0.2
107.08582	7.4
109.06484	0.7
109.09409	0.2
109.10130	3.2
111.04389	0.2
113.05990	2.9
116.06219	0.2
117.06998	0.6
119.04900	0.2
119.08537	1.0
121.06490	4.4
121.10129	0.9
123.04388	0.3
123.08041	0.9
123.11687	0.9
125.05960	0.2
125.09573	0.2
129.07034	0.3
131.08546	1.8
133.06465	0.4
133.08626	0.2
133.10101	0.5
134.07289	0.1
135.04471	0.1
135.08041	4.3
135.11674	9.9
136.11992	0.3
137.05962	0.8
137.09598	0.3
139.03868	0.2
139.07529	0.4
139.45747	0.1
141.05443	0.3
143.08492	0.3
145.06453	0.6
145.10069	1.1
147.04253	0.2
147.08020	0.4
147.11629	0.2
149.05937	1.0
149.09599	3.7
151.07510	0.8
153.05417	1.0
153.12700	2.2
155.08517	0.3
157.04912	0.1
157.10107	0.2
158.07222	0.3
159.08034	3.4
159.11693	0.3
160.08768	0.2
161.05957	0.6
161.09602	0.4
162.06741	2.9
163.07523	6.4
163.11153	1.0
164.07874	0.2
165.05476	0.3
165.09090	1.1
167.07034	1.2
169.08556	0.5
169.09901	0.2
169.16333	0.1
173.05891	0.2
173.09601	2.1
175.07500	1.1
176.08311	2.8
177.05540	0.4
177.09091	11.0
177.12534	0.7
178.06219	0.2
178.09473	0.2
179.07106	0.3
181.08592	0.8
183.07965	0.2
185.05945	0.1
186.06737	0.3
187.07512	3.2
187.11102	1.0
188.07950	0.2
189.09088	0.6
189.12680	0.2
190.06212	0.4
190.09860	0.2
191.07005	6.9
191.10637	7.0
192.07782	4.3
192.10876	0.3
193.08571	3.6
195.06526	0.2
195.10115	0.5
197.09619	0.4
197.13144	0.2
199.11020	0.2
200.08311	0.4
201.09099	2.3
203.06941	0.4
203.10660	0.5
204.07782	1.4
205.08574	41.3
206.08940	1.6
207.10103	0.4
210.10373	0.1
211.09610	4.3
213.09047	0.3
215.07173	0.3
215.10655	2.0
215.14330	0.4
216.07852	0.3
217.08575	0.6
217.12245	0.4
218.09309	0.4
219.06575	0.7
219.10138	24.6
220.10434	1.0
221.08070	0.2
221.11665	0.2
223.09618	35.7
224.09956	1.7
225.09061	0.3
225.12721	0.2
227.10611	0.2
228.07765	0.4
228.11389	0.4
229.08638	1.1
229.12135	0.9
230.09352	0.4
231.10098	0.8
233.11696	2.2
234.12096	0.2
235.09666	0.2
237.11182	25.6
238.11607	1.1
241.08493	0.2
241.12025	0.2
243.10141	10.1
243.13766	1.2
244.10638	0.7
245.11650	1.1
246.08876	0.2
247.09518	0.6
247.13261	0.4
249.11192	0.5
251.12811	0.3
253.12151	0.3
256.10834	0.5
257.11676	0.8
259.13391	0.6
261.11185	16.7
262.11621	1.0
263.12772	0.5
265.14264	0.9
269.11713	0.3
271.13260	7.8
272.13608	0.4
273.14688	0.2
274.15244	0.1
275.12756	0.8
275.16376	1.4
284.13821	0.2
285.14795	0.6
289.14304	16.5
290.14597	1.1
293.17456	1.4
299.20084	0.2
303.15836	0.5
327.19495	11.9
328.19769	0.7
345.20547	100.0
346.16611	0.3
346.20901	7.5
363.21609	11.9
364.21954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
55.05491	3.0
57.03425	1.4
57.07064	1.7
67.05495	5.0
69.03414	2.1
69.07054	3.6
70.06585	0.9
71.04987	3.7
71.79858	1.4
79.05468	3.5
81.07043	5.1
83.01323	2.9
83.08571	0.8
85.06520	0.9
91.05442	4.2
93.07035	11.1
95.04933	2.0
95.08601	3.8
105.07014	3.8
107.04939	1.1
107.08574	8.4
109.06491	1.7
109.10113	2.7
111.08073	0.7
113.05972	1.8
117.07009	0.9
117.49767	0.6
119.08546	3.5
121.06482	3.6
121.10110	2.4
123.04406	1.0
123.08063	2.1
123.11687	1.7
125.09628	0.7
131.08559	2.5
133.10103	2.1
135.08044	3.8
135.11679	9.7
137.09535	2.0
142.07950	0.7
143.08530	1.0
145.06482	0.8
145.10080	2.5
147.08044	0.8
147.11707	1.0
149.05966	1.3
149.09612	2.8
153.05382	1.0
153.12726	3.0
159.08038	4.4
159.11649	0.7
161.06033	0.8
162.06755	2.5
163.07553	5.3
163.11148	2.1
165.09123	1.1
167.07001	1.3
170.18668	0.7
173.09601	2.8
175.07539	1.0
175.11267	0.9
176.08305	3.1
177.09070	9.4
177.12701	1.1
181.08543	0.8
184.07289	1.3
185.09566	0.9
185.13351	0.8
187.07474	1.8
187.11194	1.7
189.09183	1.2
191.06989	7.3
191.10626	6.7
192.07768	4.0
193.08575	3.5
201.09109	2.5
204.07831	1.2
205.08577	37.5
206.08940	1.3
211.09677	2.9
215.10696	4.7
217.12309	0.8
219.06712	1.5
219.10127	20.0
223.09619	33.8
228.07790	0.9
229.08618	1.5
229.12030	0.9
231.10097	1.2
233.11600	3.3
237.11176	22.1
243.10138	14.0
243.12645	1.0
243.13806	1.7
244.10701	2.0
245.11668	1.6
246.08926	0.9
247.09618	1.3
256.10748	1.0
257.11816	1.2
259.13190	0.9
261.11172	15.8
263.12671	1.2
271.13269	5.6
275.12991	1.4
275.16321	1.6
289.14310	14.0
293.17468	5.1
301.29404	0.9
327.19464	11.3
345.20560	100.0
346.20844	4.3
363.17398	0.7
363.21634	13.6
363.33047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2162
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
53.03909	0.4
55.01850	0.3
55.05492	1.1
57.03410	0.6
57.07055	0.5
67.05496	2.1
69.03422	1.6
69.07050	1.5
69.60956	2.2
71.04974	0.8
79.05473	2.4
81.06618	0.3
81.07046	4.5
83.00858	0.3
83.01327	3.5
83.04984	0.3
83.08604	0.3
85.06513	0.3
91.05466	3.2
93.07030	11.1
95.04952	1.1
95.08582	1.9
97.10157	0.2
105.03348	0.5
105.07021	1.3
107.04929	0.4
107.08579	7.0
109.06491	0.9
109.10146	3.3
111.04440	0.3
113.05980	2.7
115.05413	0.4
117.06973	0.8
119.04922	0.2
119.08585	1.2
121.06490	5.5
121.10118	1.3
123.04419	0.3
123.08026	1.0
123.11692	9.2
125.06001	0.2
125.09613	0.2
129.07011	0.3
131.08559	2.6
133.06424	0.4
133.10104	0.5
135.08038	5.7
135.11671	9.0
136.08334	0.3
136.12001	0.3
137.05937	0.7
137.09589	0.2
139.03853	0.3
139.07478	0.6
143.08556	0.4
145.06479	0.5
145.10104	0.8
147.04398	0.4
147.08022	0.3
148.08650	0.2
149.05954	1.1
149.09592	4.5
151.07504	0.6
153.05458	2.5
153.12715	1.0
155.08516	0.4
157.06406	0.3
158.07263	0.4
159.08032	4.5
161.05959	0.5
161.09602	0.4
162.06743	4.0
163.07538	7.5
163.11172	0.9
163.93811	0.2
165.05492	0.3
165.09093	1.1
167.06941	0.8
169.04793	0.3
169.08574	0.5
173.09608	1.5
175.07504	0.9
176.08311	3.0
177.05574	0.5
177.09087	15.1
177.12683	0.7
178.09322	0.5
179.07011	0.3
181.08522	0.8
185.09592	0.3
187.07526	3.8
187.11092	0.5
189.09079	0.9
190.06216	0.6
191.05305	0.5
191.07019	7.8
191.10626	6.0
191.59656	0.2
192.07779	4.1
192.10789	0.3
193.08560	4.6
195.06377	0.3
195.10176	0.4
201.09082	2.2
203.07054	0.3
203.10695	0.5
204.07774	0.9
205.08574	55.6
206.08879	1.8
207.10088	0.3
209.08073	0.4
210.10330	0.2
211.07640	0.4
211.09596	3.4
211.11404	0.3
212.10069	0.3
214.09912	0.3
215.10666	1.7
215.14259	0.4
216.07722	0.3
217.08607	0.5
217.12231	0.5
218.09285	0.6
219.10136	22.5
220.10481	0.7
221.11592	0.3
223.09621	57.4
224.09995	2.5
225.09190	0.2
228.07777	0.4
228.11360	0.5
229.08563	1.4
229.12259	0.7
230.09369	0.4
231.10124	0.7
233.11630	1.5
235.09718	0.3
237.11183	24.4
238.11557	0.9
240.11990	0.3
241.08664	0.3
241.12303	0.3
243.10153	7.3
243.13629	1.1
244.10402	0.3
245.11693	0.9
247.09596	0.7
247.13303	0.5
249.11153	0.3
253.12239	0.4
256.10815	0.4
257.11673	1.1
259.13275	0.8
261.11197	12.3
262.11563	0.5
263.12827	0.7
265.14343	0.7
271.13272	8.1
272.13544	0.3
275.12857	0.5
275.16385	0.6
277.14282	0.5
285.14856	0.6
289.14319	16.1
290.14709	0.6
293.17557	0.3
299.19852	0.3
303.15952	0.3
309.18680	0.3
327.19485	11.1
328.19876	0.7
345.20554	100.0
346.20944	6.1
363.21600	47.3
364.21912	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	363.216
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
52.77902	0.3
53.03939	0.4
55.01851	0.6
55.05505	2.2
57.03432	0.8
59.02251	0.3
59.04972	0.4
67.05494	3.2
68.75923	0.3
69.03091	0.4
69.03420	5.2
69.07058	21.3
69.37920	0.3
70.07381	0.4
71.04989	1.8
77.33686	0.3
79.05483	2.3
81.06685	0.3
81.07048	3.4
83.00851	0.6
83.01326	7.7
83.04951	0.7
83.08600	0.7
85.06512	0.9
91.05455	4.0
93.07026	7.2
95.04927	1.5
95.08578	1.5
97.06490	1.3
105.06998	1.3
107.04919	0.6
107.08577	6.8
109.06480	1.3
109.10134	5.0
111.04431	1.2
111.11698	1.4
113.05986	6.1
114.70729	0.4
117.06999	1.0
119.08554	1.3
121.06491	7.5
121.10126	1.3
121.15855	0.4
122.06880	0.3
123.04433	0.5
123.08032	1.3
123.11690	5.7
125.05977	0.9
129.06989	0.4
131.08554	3.6
133.06439	0.6
133.10117	0.6
134.07285	0.4
135.04378	0.6
135.07043	0.6
135.08032	9.2
135.11676	7.3
137.05960	1.9
137.09608	0.4
139.03851	1.3
139.07510	1.7
143.08533	0.4
145.06418	0.5
145.10048	0.4
147.07962	0.6
149.05951	2.6
149.09595	6.5
151.03876	1.0
151.07483	1.4
153.05461	5.4
155.06995	2.7
159.08037	6.2
161.05975	1.3
161.09573	1.3
162.06754	5.2
163.03883	0.6
163.07518	11.2
165.05466	1.3
165.09094	1.0
166.06201	1.5
167.06938	0.9
167.35086	0.4
169.08595	0.5
173.09596	0.9
175.07520	1.2
175.11061	0.5
176.08238	1.3
177.05435	1.4
177.09085	17.3
181.08577	11.3
187.07541	6.0
189.09097	4.5
190.06242	1.4
190.09407	0.4
191.07016	5.9
191.10608	0.9
192.07732	1.1
193.08557	2.7
197.09659	0.4
199.07445	0.5
200.08243	0.6
201.09062	1.1
203.06989	0.8
203.10602	0.6
204.07793	0.9
205.08572	97.2
206.08936	3.0
207.06465	0.9
207.10036	1.6
211.09644	1.4
215.10675	2.6
216.07803	0.5
217.08562	5.3
217.12291	1.0
218.09079	0.5
219.10146	4.3
223.09618	57.3
224.09964	1.4
228.07855	0.6
229.08626	3.1
229.12238	0.9
229.55975	0.4
231.10120	1.3
231.13733	0.8
233.11693	1.0
235.09595	6.9
236.10133	0.4
237.11198	0.9
243.10130	11.8
243.13849	0.7
245.11696	1.5
247.09598	2.6
247.13275	0.4
249.11137	1.0
257.11429	0.7
259.13293	2.6
261.11188	10.8
262.11395	0.4
263.12680	1.7
271.13202	1.7
273.14969	0.6
275.12732	1.4
275.16345	1.9
277.14331	8.2
278.14389	0.4
285.14728	0.9
289.14279	3.5
299.20056	0.4
303.15860	0.5
327.19504	10.2
345.20563	31.8
346.20844	1.6
363.21594	100.0
364.21902	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.2
57.03422	0.4
57.07050	0.2
67.05476	0.7
68.53682	0.2
69.03400	0.5
69.07037	0.3
71.04974	0.3
71.31483	0.3
79.05473	0.7
79.82903	0.1
81.07051	1.2
83.01324	3.9
91.05459	1.5
91.26225	0.1
93.06442	0.2
93.07030	2.6
95.08594	0.7
102.16499	0.1
105.07007	0.7
107.08581	3.0
109.06496	0.5
109.10146	0.8
116.06198	0.3
117.06958	0.6
119.08552	0.5
121.06496	4.2
121.10095	0.7
123.04404	0.2
123.08054	0.4
123.11694	6.6
124.12022	0.3
131.08540	2.2
133.06580	0.2
133.10094	0.2
134.07280	0.3
135.08029	4.3
135.11679	4.5
137.09520	0.1
141.06935	0.2
145.06419	0.2
147.04369	0.3
149.05946	1.0
149.09593	3.8
153.05449	3.4
153.12703	0.3
159.06772	0.3
159.08032	4.3
161.05988	0.4
162.06735	4.9
163.07530	8.3
164.07811	0.3
165.05664	0.1
165.09088	0.3
167.07011	0.2
177.09090	13.8
178.09438	0.6
181.08531	0.2
187.07504	4.4
189.09006	0.2
190.06194	0.4
191.06918	0.3
191.10597	0.2
193.08611	0.5
205.08572	63.1
206.08926	2.1
211.09642	1.6
219.10051	0.2
223.09619	100.0
224.09947	2.9
237.11148	0.3
243.10158	0.4
261.11279	0.3
275.16403	0.3
293.17432	0.3
307.47888	0.2
327.19629	0.9
345.20560	18.0
346.20914	0.8
363.21603	11.3
364.21869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.216
Annotation	Nelumol B
Peak:m/z	Relative Intensity
53.03930	0.4
53.45116	0.3
55.01856	0.7
55.05496	2.4
57.03408	0.5
57.07070	0.2
65.03915	0.3
66.90970	0.2
67.05496	2.4
69.03422	1.4
69.07056	17.0
69.45959	0.3
70.26657	1.3
71.04982	1.2
72.60435	0.2
79.05484	1.5
79.72173	0.2
81.07043	2.7
83.00852	0.4
83.01321	5.7
83.04977	0.3
83.08599	0.5
85.02868	0.3
91.05468	2.6
93.07029	5.8
95.04930	0.8
95.08595	1.2
97.06507	0.5
98.20797	0.3
105.07011	1.9
105.97997	0.2
107.04935	0.4
107.07912	0.4
107.08574	5.0
109.06487	0.8
109.09418	0.3
109.10131	4.8
111.11686	0.9
113.05959	0.8
114.62012	0.2
115.05433	0.3
116.06223	0.4
117.06998	1.1
119.04853	0.2
119.08547	1.5
121.06487	6.8
121.10136	1.9
123.08019	0.6
123.11687	3.4
128.06165	0.2
129.06970	0.5
131.08528	3.7
133.06409	0.3
133.10094	1.3
135.07047	0.4
135.08032	6.3
135.11676	6.6
137.05945	0.5
137.09528	0.3
139.03712	0.3
141.06944	0.3
143.08521	0.9
144.05734	0.2
145.06439	0.7
145.10066	0.3
147.04369	0.6
147.08000	0.3
149.05965	1.2
149.09581	5.2
151.07509	0.4
153.05457	2.9
153.12740	0.4
157.06429	0.3
158.07237	0.3
159.06757	0.5
159.08026	7.5
161.05969	1.2
161.09607	1.8
162.06732	6.7
163.07509	10.1
165.05431	0.6
165.09076	0.9
167.08498	0.3
171.07948	0.4
173.09599	0.8
174.06743	0.4
175.07527	0.9
175.11125	0.3
176.08272	0.7
177.05450	1.0
177.09081	16.5
177.34779	0.2
181.08562	0.7
185.09555	0.3
187.07509	5.7
187.11075	1.2
188.08353	0.3
189.09061	6.4
190.06329	1.1
191.07008	3.4
191.10614	0.6
192.07686	0.8
193.08549	1.0
197.09486	0.3
199.07483	0.6
200.08255	0.6
201.09056	0.6
203.06970	1.0
203.10608	0.8
204.07768	0.9
205.08566	77.5
206.08934	1.9
207.10164	1.7
211.09537	2.1
213.09102	0.4
213.12663	0.2
215.07050	0.3
215.10559	1.2
216.07751	0.6
216.11253	0.3
217.06656	0.4
217.08595	2.7
217.12195	0.9
218.09245	0.3
219.10139	3.5
223.09612	100.0
224.09955	4.5
227.10617	0.4
228.07748	1.1
229.08548	3.4
229.12148	0.5
231.06511	0.3
231.10068	1.1
231.13782	0.9
233.11667	0.5
235.09615	4.2
237.11201	1.2
241.08441	0.3
241.12199	0.6
243.10126	12.3
244.10651	0.7
245.11711	0.9
247.09538	1.2
249.11191	0.7
256.10864	0.8
257.11679	0.9
257.15320	0.3
259.13257	4.3
261.11176	7.7
263.12726	0.6
271.13135	1.1
273.15082	0.3
275.12759	0.7
275.16431	0.8
277.14316	8.0
278.14630	0.5
289.14297	2.3
295.64667	0.3
303.15808	0.4
327.19479	3.8
345.20547	28.5
346.20889	2.7
363.21585	7.6
364.22046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2158
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
53.03934	2.3
55.01858	4.0
55.05501	3.7
64.67660	1.8
67.05508	11.6
69.03417	25.5
69.06734	3.0
69.07063	37.0
71.04980	12.5
71.51743	5.1
79.05483	6.2
79.82502	2.2
81.07043	23.9
83.01318	5.4
83.04987	2.3
83.84359	2.1
91.05460	8.2
93.07027	17.7
95.04960	7.0
95.08591	14.1
99.04444	4.5
105.07000	10.3
105.39590	1.9
107.05008	2.7
107.08582	13.2
109.02868	4.2
109.06500	18.4
109.10112	17.7
113.05984	11.3
117.07014	2.9
119.08540	7.4
121.06491	17.2
121.10158	4.0
123.04393	9.0
123.08045	7.4
123.11012	2.1
123.11700	21.2
127.03973	2.3
131.08470	2.8
133.06448	5.9
133.10095	4.2
135.08017	9.7
135.11684	18.9
137.05962	3.4
137.09650	2.2
137.36894	2.1
141.05484	2.5
141.38631	2.0
147.08018	8.6
149.05972	24.5
149.09610	6.0
151.03902	8.5
151.07553	19.9
153.05463	30.9
159.08034	5.5
161.05937	11.3
161.09541	2.9
162.06705	6.3
163.07533	8.7
165.09062	5.0
169.04948	14.3
175.07489	22.4
177.09064	16.0
177.12712	2.3
179.06998	28.9
181.08580	3.1
187.07549	4.9
189.09129	3.1
191.07050	4.9
192.07779	3.3
193.08595	15.2
197.08070	5.6
202.91983	2.0
203.07001	29.1
203.10649	4.2
205.08577	74.9
206.08952	3.4
211.09592	3.0
215.14296	2.6
217.12253	3.3
219.10101	4.0
221.08066	79.7
223.09619	90.8
223.11815	4.5
224.09932	4.0
229.08623	2.6
229.12244	3.2
231.10228	4.6
235.09637	5.5
237.11151	5.0
239.09113	98.6
240.09482	3.4
243.10107	4.8
245.11661	9.5
247.13100	3.1
257.15369	3.0
259.13251	7.4
261.11111	3.3
263.12738	28.2
271.13260	5.9
275.16379	4.2
277.14246	4.3
281.52527	2.1
289.14316	11.0
293.17334	7.2
306.85959	2.2
309.18640	4.5
327.19519	24.0
345.20547	100.0
346.20853	6.5
363.21616	55.7
364.22055	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11901	1.1
57.07059	1.8
57.95006	1.1
63.23909	1.1
67.01853	2.1
67.05495	4.7
69.03433	1.3
69.07062	8.4
70.98891	3.7
71.04984	4.0
78.21898	1.0
79.05480	5.4
80.66413	1.0
81.07043	61.0
83.01338	5.5
91.05445	1.3
93.07029	4.3
95.08595	13.7
96.30531	1.2
101.89734	1.3
107.08620	3.0
109.10136	4.2
113.06023	1.5
121.06515	2.4
121.10117	3.1
123.04417	3.1
123.11699	7.7
135.08037	2.1
135.11694	2.9
137.13239	8.4
141.05473	2.1
149.09563	2.6
151.03880	2.7
153.05434	3.6
159.08017	1.8
162.06757	2.1
163.07581	3.8
167.07068	5.2
169.04944	100.0
177.09088	3.4
187.07599	2.1
191.07034	5.3
205.08568	25.1
209.08073	2.9
211.09578	2.5
219.10194	3.2
219.32025	1.2
221.08011	2.1
223.09633	33.5
224.09976	1.1
227.09122	13.5
237.11197	2.5
239.09103	11.6
243.09995	1.3
261.11234	3.4
271.13257	2.1
275.16449	2.4
289.14240	1.1
293.17410	7.1
327.19446	3.7
345.20560	20.1
363.21442	4.7
380.45938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
53.03929	0.3
55.01839	0.2
55.05504	1.3
57.03412	0.2
57.07058	0.2
59.04962	0.2
65.03942	0.2
67.05492	1.7
69.03416	0.9
69.07063	1.2
71.04968	0.7
71.26276	0.4
79.05492	1.9
81.06669	0.2
81.07049	2.2
83.01330	2.6
83.04953	0.2
83.08601	0.5
85.06502	0.3
91.05479	2.2
93.07031	10.9
94.07359	0.2
95.04964	1.3
95.08575	1.3
97.10143	0.2
105.07011	1.2
107.04948	0.2
107.08580	6.2
109.06486	0.5
109.10152	2.5
113.05979	2.5
117.07021	0.3
119.08528	1.0
121.06493	3.4
121.10124	0.8
123.04404	0.3
123.08061	0.6
123.11701	1.3
129.06964	0.5
131.08566	1.3
133.06476	0.3
133.10110	0.5
135.08044	3.5
135.11671	7.2
136.11957	0.2
137.05965	0.7
139.07484	0.2
141.05421	0.2
145.06467	0.4
145.10086	0.8
147.04305	0.2
147.08043	0.4
149.05940	0.6
149.09593	2.9
151.07516	0.5
153.05455	0.6
157.05136	0.2
158.07271	0.3
159.08026	2.6
161.05922	0.4
161.09641	0.3
162.06757	2.2
163.07529	4.5
163.11183	0.9
165.05429	0.3
165.09091	1.3
167.07027	0.5
169.08626	0.3
169.09970	0.2
172.08769	0.3
173.09596	1.8
175.07518	1.1
175.11131	0.2
176.08315	1.9
177.05493	0.4
177.09090	8.5
177.12611	1.1
178.09491	0.3
179.07094	0.2
181.08575	0.6
187.07535	2.5
187.11102	1.0
189.09123	0.6
190.06236	0.4
190.09836	0.3
191.07011	5.9
191.10643	4.6
192.07765	3.3
193.08583	3.4
195.10139	0.4
197.09567	0.6
200.08299	0.6
201.09070	1.8
203.06941	0.4
203.10558	0.4
204.07796	0.8
205.08574	33.6
206.08928	1.1
207.10074	0.2
211.09641	4.0
214.09834	0.2
215.07166	0.3
215.10661	3.4
216.11024	0.2
217.08624	0.3
217.12262	0.3
218.09279	0.5
219.06668	0.5
219.10135	17.6
220.10484	0.6
223.09619	30.1
224.09937	0.8
225.09128	0.8
227.10735	0.2
228.07869	0.8
228.11380	0.3
229.08601	0.9
229.12158	0.4
230.09372	0.4
231.10147	0.6
233.11705	3.1
237.11179	18.1
238.11569	0.5
241.12141	0.3
243.10139	12.2
243.13867	0.8
244.10626	0.6
245.11708	0.7
246.08881	0.8
247.09497	0.4
247.13278	0.4
249.11086	0.4
257.11713	0.8
257.15604	0.2
259.13208	0.3
261.11194	19.3
262.11530	0.8
263.12784	0.4
265.14343	0.5
269.11661	0.3
271.13272	5.5
272.13651	0.3
275.12808	0.7
275.16293	0.9
285.14780	0.5
289.14301	13.1
290.14688	0.5
293.17349	0.2
303.15799	0.2
309.18546	0.2
327.19501	8.7
328.19876	0.5
345.20547	100.0
346.20886	4.9
363.21634	4.0
379.24509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.216
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
67.04572	0.5
67.90972	0.5
69.03419	0.8
69.75717	4.0
79.05490	0.7
81.07024	1.0
83.01318	3.5
88.27433	0.5
91.05470	1.2
93.07021	2.2
95.08561	0.6
98.21429	0.9
105.07017	0.7
107.08581	2.8
117.07016	0.5
121.06476	2.9
121.10071	0.5
123.11704	4.3
131.08530	2.1
135.08020	3.8
135.11655	4.3
140.05991	0.5
149.05963	1.3
149.09610	3.7
153.05453	1.2
159.08052	4.9
162.06737	4.9
163.07515	6.4
177.09106	13.2
187.07532	4.4
205.08575	59.4
206.08925	1.7
211.09639	1.4
223.09622	100.0
224.09943	3.1
236.80557	0.5
281.72931	0.6
327.19644	1.0
345.16562	1.0
345.20566	15.6
346.20853	0.8
363.21628	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	363.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.6
53.45108	0.5
54.09288	0.5
55.05500	0.8
67.05495	1.0
69.03419	0.9
69.07053	1.1
79.05477	1.4
81.07033	3.6
83.01344	3.3
87.16718	0.6
91.05452	1.3
93.07021	4.2
95.08583	1.3
99.99866	0.5
105.07002	0.9
107.08581	4.7
109.10116	0.9
117.43786	0.5
121.06467	2.4
121.10147	1.3
123.11687	22.5
131.08549	1.7
135.08029	4.0
135.11664	6.8
149.06064	0.6
149.09613	4.0
153.05502	0.9
159.08015	3.8
162.06737	5.4
163.07512	6.8
177.09081	12.9
187.07460	3.8
193.08617	0.7
205.08569	58.0
206.08907	1.8
211.09639	2.0
219.10178	1.3
223.09622	100.0
224.10013	2.7
229.08501	0.6
237.11107	1.3
243.10204	1.5
254.37527	0.6
261.11194	1.1
289.14261	0.7
327.19678	0.8
345.20554	25.8
346.20926	0.9
363.21484	2.2
384.55453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10344	0.3
51.10414	0.3
55.01869	0.6
55.05501	2.8
57.03431	0.7
59.04976	0.7
67.05486	1.6
69.03434	1.5
69.06699	0.6
69.07059	10.1
69.73270	1.4
69.73677	0.9
71.04980	1.7
79.05476	1.5
81.07039	1.9
83.01332	4.1
83.08599	0.8
87.16319	0.3
91.05469	1.9
93.07037	5.6
95.04955	0.6
95.08593	1.8
97.06504	1.7
105.07002	1.2
107.04893	0.5
107.08579	5.7
109.06483	0.9
109.10159	2.2
111.11699	0.5
113.05944	0.6
117.07004	0.6
119.08549	0.9
121.06493	3.0
121.10124	1.6
123.07999	0.6
123.11703	2.2
125.05962	0.6
131.08560	2.6
133.10042	0.5
135.08044	5.3
135.11673	8.5
135.12663	0.7
136.11935	0.3
137.05933	0.8
137.09636	0.3
139.03850	0.5
145.06448	0.4
145.58472	0.3
147.08054	0.5
149.05975	1.0
149.09604	4.0
153.05441	12.6
153.12718	0.6
156.60239	0.4
159.08031	4.5
159.21298	0.4
161.05981	0.5
161.09584	0.5
162.06718	4.5
163.07523	7.2
165.05429	1.3
165.09055	1.0
175.07510	0.9
177.05455	1.1
177.09091	13.2
187.07533	4.7
189.09055	3.0
190.06261	0.6
191.06998	5.5
192.07742	1.0
193.08609	2.6
195.10194	0.4
197.09470	0.4
201.09195	0.4
203.07086	0.4
204.07845	0.5
205.08571	80.7
206.08929	2.4
207.10146	3.4
211.09633	3.4
215.10735	0.6
217.08568	0.6
219.10118	1.3
223.09621	100.0
224.09972	3.5
229.08585	0.8
230.09331	0.3
233.11618	0.6
235.09589	0.5
237.11139	0.7
243.10147	4.2
245.11687	0.8
249.11235	0.6
251.09132	0.4
256.10825	0.5
257.11655	0.5
261.11237	3.7
263.12708	0.4
271.13129	0.7
275.13034	0.6
275.16370	2.9
285.14645	0.5
289.14249	0.7
293.17441	0.7
302.14413	0.4
327.19495	3.3
345.20554	20.3
346.20868	1.1
363.21591	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2161
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
51.45744	0.7
55.05497	2.7
56.32844	0.9
57.03423	1.1
67.05495	3.5
69.03416	5.5
69.06702	1.3
69.07061	22.0
69.66631	2.8
69.67036	4.7
71.04988	1.3
74.15362	0.8
75.98846	0.9
79.05499	2.2
81.07044	2.8
83.01337	7.7
83.04961	1.2
83.24191	0.9
91.05476	2.8
93.07037	6.7
93.30263	0.9
95.04965	2.3
95.08596	1.1
95.31954	0.9
105.07014	2.1
107.08573	6.5
109.06453	1.2
109.10181	5.6
109.10778	1.1
111.04434	0.9
111.11674	1.3
113.06005	7.2
117.06956	1.1
121.06513	6.1
121.10134	1.4
123.08054	1.2
123.11681	5.4
131.08562	3.6
133.10158	1.4
135.08035	8.5
135.11707	5.6
137.05952	1.9
139.03877	1.4
139.07550	1.7
145.06505	1.0
149.05965	2.2
149.09612	4.4
153.05449	4.4
155.07019	2.7
159.08034	7.3
161.09593	1.1
162.06757	5.8
163.07532	12.1
165.05463	2.2
165.09134	1.5
166.06190	2.0
175.07556	2.0
177.09093	18.2
181.08566	11.8
187.07559	5.8
189.09087	5.0
191.07057	7.1
192.07771	1.6
193.08609	2.8
201.09068	1.1
203.07018	1.7
205.08583	100.0
206.08936	3.1
207.10129	1.3
211.09561	1.2
215.10704	2.3
217.08640	5.3
219.10178	4.0
223.09625	56.7
224.09930	1.6
225.09210	1.1
229.08492	2.4
229.12018	1.8
231.10194	1.2
235.09610	7.0
237.11180	2.2
243.10139	13.0
247.09653	1.7
257.11615	1.5
259.13290	2.0
261.11249	10.3
263.12714	2.3
271.13254	2.3
275.12830	1.5
275.16418	1.0
277.14316	8.6
289.14368	2.9
299.19818	0.9
327.19577	11.4
345.20584	31.2
346.20874	1.6
363.21616	93.3
364.22000	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	363.2157
Annotation	CHEBI:70375
Peak:m/z	Relative Intensity
53.03923	0.5
55.01856	0.4
55.05511	2.4
57.03397	0.3
57.07050	0.9
59.85990	0.3
67.05484	2.7
69.03394	1.1
69.07061	6.7
71.04965	1.0
71.06700	0.8
74.96655	0.3
79.05479	1.9
81.07043	6.0
83.00911	0.4
83.01326	4.0
83.08601	0.8
89.06014	0.4
91.05468	2.2
93.07030	6.7
95.04961	0.6
95.08593	2.0
97.10150	0.5
105.07005	1.6
107.07899	0.6
107.08576	7.8
108.08907	0.6
109.06480	0.7
109.10147	3.7
111.11693	0.5
113.05979	0.7
117.06990	0.5
119.08537	1.2
121.06483	5.3
121.10085	1.5
123.08035	0.6
123.11691	17.6
124.55245	0.4
131.08539	2.3
133.10127	0.7
135.08058	4.8
135.11668	7.8
136.12000	0.5
145.06429	0.5
147.08046	0.5
149.05952	1.2
149.09573	4.7
151.11127	0.6
153.05466	2.2
159.08014	5.6
161.05972	1.0
161.09570	0.6
162.06744	5.3
163.07518	9.6
163.08885	0.6
165.09106	0.6
173.09555	0.7
175.07481	0.5
175.92709	0.4
176.08351	0.5
177.09099	15.6
177.12639	1.8
178.09488	0.5
179.50908	0.3
181.08597	1.3
187.07521	4.9
187.11133	0.8
188.08113	0.5
189.09058	2.3
190.06129	0.6
191.06998	1.8
191.10718	0.5
191.97513	0.3
192.07767	1.0
193.08530	2.0
195.06566	0.4
197.09615	0.5
200.08224	0.4
201.09129	2.1
203.07098	0.5
203.10675	0.8
205.08571	71.0
205.26132	0.4
206.08936	2.8
211.07726	0.4
211.09564	2.2
215.10677	2.8
217.08638	2.1
217.12158	0.4
219.10147	2.9
223.09616	91.4
224.09929	2.1
225.08983	0.4
227.10606	0.3
228.07719	0.7
229.08627	4.8
229.12219	0.3
231.10104	1.5
233.11702	0.5
235.09686	0.8
237.11145	1.7
241.08661	0.6
241.12149	0.6
243.10138	11.5
243.13850	0.4
244.10754	1.0
245.11757	2.0
247.09612	2.7
249.11163	0.7
251.60089	0.3
256.11050	0.4
257.11728	1.1
257.15112	0.4
259.13156	0.6
261.11169	6.4
263.12753	1.4
269.11618	0.4
271.13248	2.3
275.12720	0.5
277.14352	0.7
284.13928	0.4
285.14755	0.7
289.14307	2.9
303.15927	0.6
309.18140	0.3
327.19476	8.7
328.19672	0.4
336.23029	0.4
345.20547	100.0
346.20941	4.7
363.21597	21.3
364.21881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2159
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
53.03925	0.1
55.01855	0.2
55.05488	0.3
57.03415	0.2
57.07050	0.1
60.75349	0.1
63.65829	0.1
65.03943	0.1
67.05475	0.3
69.03419	0.9
69.07056	0.4
71.04966	0.1
71.06495	0.1
71.11230	0.2
71.11566	0.2
78.87384	0.1
79.05482	0.7
81.03419	0.1
81.07050	1.0
83.01322	3.6
83.04972	0.1
91.05461	1.5
92.58089	0.1
93.07030	2.4
95.04942	0.3
95.08600	0.5
95.09107	0.1
97.06510	0.1
98.92226	0.1
105.07003	0.7
107.04910	0.1
107.08572	2.7
109.02843	0.1
109.06482	0.4
109.10120	0.6
113.05996	0.3
115.05431	0.2
116.06212	0.2
117.06983	0.6
119.04960	0.1
119.08544	0.5
121.06489	3.8
121.10125	0.8
123.04377	0.2
123.08035	0.2
123.11684	4.6
129.06972	0.2
131.08553	2.2
132.08847	0.1
133.06497	0.2
133.10123	0.2
134.07231	0.2
135.08032	4.7
135.10654	0.2
135.11676	3.3
137.09543	0.1
138.70255	0.1
141.06935	0.1
141.21504	0.1
144.05666	0.1
145.06454	0.3
146.07227	0.1
147.04362	0.3
149.05946	0.8
149.09596	4.2
151.07539	0.1
153.05434	1.2
155.06960	0.1
159.08028	4.9
160.08572	0.2
161.06015	0.3
161.09587	0.1
162.06728	5.2
163.07516	8.1
164.07848	0.2
165.05511	0.1
165.09024	0.2
175.07545	0.1
176.08308	0.2
177.09079	13.3
178.09418	0.3
181.08507	0.2
187.07503	4.2
188.07788	0.1
189.09007	0.2
190.06223	0.5
191.06934	0.4
191.10661	0.2
192.07719	0.1
193.08574	0.6
205.08565	58.4
206.08897	1.6
211.09636	1.2
219.10130	0.5
223.09610	100.0
224.09935	2.7
229.08530	0.2
231.10284	0.1
237.11147	0.7
243.10193	0.6
247.09564	0.1
261.11227	0.6
271.13147	0.2
275.12723	0.1
275.16299	0.1
289.14246	0.4
293.17380	0.1
305.17569	0.1
327.19565	0.9
345.20547	14.8
346.20877	0.8
363.21600	7.1
364.22031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02367	0.6
53.03720	0.2
53.03941	2.7
55.01855	0.5
55.05487	0.4
67.05493	1.6
68.99769	1.2
69.03428	1.3
69.07055	0.6
71.04977	0.8
77.03915	0.6
79.05468	0.7
81.03419	0.4
81.07054	1.2
83.01322	0.3
83.04974	0.5
83.08581	0.3
85.02881	0.2
85.06507	0.4
91.05464	1.5
93.00797	0.2
93.07024	2.9
95.04959	6.2
95.08597	5.7
103.05461	0.5
105.03380	100.0
105.06999	1.3
106.03709	2.7
107.08560	1.0
109.06527	0.4
109.10167	0.5
111.08071	1.2
115.05419	0.3
117.07046	1.3
119.08562	0.8
121.02853	0.3
121.06500	3.1
121.10149	0.5
123.08051	3.5
123.11710	0.6
129.03375	0.8
129.07008	0.5
131.04927	0.3
131.08617	0.3
133.06461	0.4
133.10184	0.3
134.03712	0.3
135.08035	0.9
135.11690	0.3
137.09631	1.0
139.03896	0.3
139.07506	1.4
141.07007	0.3
145.06494	1.3
145.10049	0.3
147.04410	1.4
147.07990	0.2
149.05988	2.0
149.09636	0.2
151.03920	0.4
153.01729	0.3
159.08035	0.4
159.11739	0.4
163.07559	1.0
163.11200	0.3
165.05501	0.4
165.07034	0.3
165.09143	0.4
167.07033	4.4
167.08377	0.5
171.11678	0.5
173.05943	0.3
173.09564	0.3
175.11148	0.4
177.09128	0.4
181.08577	0.8
187.07510	0.8
189.05443	0.6
191.06995	2.1
191.10732	0.3
195.10153	0.4
195.11743	0.4
197.05959	1.7
197.09656	0.4
197.11703	0.4
199.07625	0.6
205.04953	4.3
205.08600	1.0
205.10268	0.3
207.06560	0.4
209.08061	4.2
209.09857	0.4
213.12740	0.6
215.07085	0.6
219.10272	0.3
223.09427	1.3
223.11462	0.5
227.06990	0.4
227.10619	1.0
235.06015	0.7
237.11194	0.4
241.12363	3.3
242.12680	0.3
243.10153	0.3
251.10628	0.8
261.11108	0.4
267.10126	1.2
269.11694	18.0
270.12091	1.0
285.11237	0.5
289.17950	0.3
295.09674	1.4
313.10663	24.5
314.11017	1.6
318.10757	0.5
326.38052	0.2
327.12244	1.4
327.19458	0.3
331.11896	0.9
345.13306	7.3
345.20261	2.1
346.13760	0.5
363.21753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
60.04525	0.6
63.38243	0.5
65.50535	0.5
67.05483	1.1
67.34657	0.5
69.03410	0.8
69.51258	0.5
70.06582	0.7
71.01352	1.8
71.04974	0.9
71.78323	1.0
74.57300	0.6
77.03939	0.5
79.05476	1.2
81.03395	1.2
81.07037	1.4
85.02875	1.4
90.03241	0.6
91.05461	1.4
93.07057	0.9
95.04947	0.6
95.08578	0.8
96.04454	0.9
98.06046	0.8
105.07011	1.2
106.06567	0.8
107.04886	0.6
107.08575	1.2
110.07146	0.6
119.08572	0.7
121.06500	1.8
121.10087	1.0
123.04431	0.9
123.08002	0.7
125.05975	0.8
125.21201	0.6
129.07011	1.1
130.06519	0.7
134.06000	1.9
146.09644	0.9
148.03917	1.0
149.02298	1.4
149.09564	0.7
150.02678	1.3
151.02866	1.2
152.03152	1.1
156.08070	2.7
158.08450	0.8
158.09612	1.3
160.03914	2.5
161.04651	1.7
162.05406	3.1
163.03804	0.7
164.04208	1.1
166.04721	0.8
166.09523	0.9
167.07085	3.9
167.10628	0.7
173.10707	2.8
174.09155	1.0
178.04980	11.1
179.05763	0.8
181.04901	0.7
182.05214	0.8
183.09120	1.3
184.06055	1.0
184.07532	5.3
185.08095	1.8
185.11847	1.1
186.09134	1.9
187.05060	2.9
187.08586	1.2
195.09126	0.8
197.07111	1.7
198.05527	0.6
199.08600	0.7
200.09132	0.6
201.06956	0.6
201.10202	11.8
202.08649	0.7
204.10202	0.7
205.06056	1.6
205.09842	0.8
211.08612	4.0
212.07083	4.1
212.09081	1.1
213.06618	1.2
213.10165	0.7
214.07246	0.7
219.07672	1.1
223.09483	0.7
225.06577	1.7
225.10138	3.1
227.11707	0.7
229.09686	41.2
230.08073	1.6
230.10074	1.6
235.08611	1.2
239.08142	3.5
240.06570	1.8
240.08873	1.2
243.07468	0.7
247.10783	2.9
253.06013	3.8
253.09729	5.0
254.10242	0.7
255.07611	1.3
255.11279	1.9
256.09720	0.8
257.09183	27.6
258.09616	2.0
259.06952	0.7
259.10742	1.2
263.08163	0.9
266.08176	1.0
267.07623	3.0
271.07150	1.4
271.10736	1.0
275.10226	15.8
275.13107	0.9
281.09155	10.4
283.10699	4.1
285.08633	6.8
291.07544	1.6
299.10342	3.9
301.11737	3.3
303.09732	7.5
309.08633	6.9
317.11258	1.6
327.09689	8.9
345.10773	35.7
346.10986	2.3
363.11816	100.0
364.12119	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	363.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	51.4
68.07127	0.6
69.03417	1.2
70.19189	3.7
71.95254	1.0
73.02923	0.6
74.97576	1.5
84.96007	1.0
85.02891	3.2
86.92910	0.7
96.99689	0.7
98.97570	100.0
99.97918	0.8
115.00686	31.0
116.98608	93.5
117.03317	0.9
121.95483	0.6
127.03938	1.5
128.98618	1.4
133.01712	27.2
134.99641	49.9
140.00189	2.7
140.98584	3.7
145.02808	0.9
146.99669	1.8
147.04321	1.1
151.02803	5.1
153.00703	7.0
157.01700	8.4
158.01233	1.8
158.99635	28.8
161.01184	0.7
163.03923	5.9
165.00725	1.4
173.04846	17.8
175.02771	41.9
176.03125	1.0
177.00694	48.7
182.01241	0.8
191.04008	1.7
191.05923	5.3
193.03815	14.4
195.01740	8.0
198.04373	1.0
199.02725	3.9
200.04506	1.0
201.00679	31.3
217.03798	10.5
219.01738	69.3
220.02046	0.9
224.70766	0.6
235.05011	1.8
237.02826	12.2
240.05518	1.0
241.03807	1.7
242.03415	3.2
243.01697	1.0
252.05600	0.7
255.03745	0.8
259.04843	5.6
261.02786	6.5
277.05933	6.5
279.03903	2.2
281.57272	1.4
282.07327	0.9
285.02856	0.8
303.03799	5.2
321.04840	2.4
345.04950	0.7
363.06076	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	363.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
55.05494	1.7
56.96555	23.4
57.03427	3.1
61.02908	1.8
67.05496	1.9
69.03406	7.1
69.07049	1.8
71.79717	2.5
74.97598	1.5
75.88146	1.5
81.03407	3.5
83.04947	1.6
84.08102	2.0
84.96033	4.3
85.02893	18.6
85.06525	1.9
87.04457	1.9
89.03902	9.4
90.04234	2.2
91.05443	4.6
95.04951	2.2
97.02870	7.8
98.97569	100.0
99.04393	2.4
107.04935	3.2
109.02876	1.5
110.97585	4.0
111.04417	2.5
112.07603	3.4
116.98605	85.4
117.03353	9.2
119.00211	1.5
119.04927	4.4
120.05203	1.3
123.04459	1.6
124.07510	1.5
127.03900	4.9
128.04196	1.4
128.98570	8.8
129.05412	1.9
130.08623	3.3
131.00124	1.4
131.04839	1.3
134.99638	39.5
135.04396	17.0
136.07550	2.6
137.05931	2.5
140.00159	2.4
143.00143	4.9
144.98041	1.5
145.02809	9.3
145.04947	4.2
146.99615	8.0
147.04381	14.4
148.04753	2.0
149.01176	3.0
153.00723	4.2
156.03438	2.1
157.01698	1.5
158.01335	1.3
158.99635	56.8
161.01192	8.7
163.03886	70.6
164.04228	15.9
167.07024	2.1
170.99637	4.2
171.03270	1.4
175.02734	1.5
177.00693	90.5
177.04173	2.7
177.49767	1.3
178.63342	1.4
179.02267	2.2
185.01190	1.9
186.04370	1.8
187.02771	2.1
189.00739	9.6
191.54126	1.8
193.03609	1.8
195.01782	8.1
200.02208	6.4
200.54665	1.7
201.00662	3.6
201.04347	3.4
203.02219	1.8
204.05415	2.3
205.00145	1.7
205.08600	2.6
207.01695	2.8
207.05325	2.9
211.02675	1.6
213.00696	1.9
219.01730	52.9
220.02116	2.6
223.09586	3.3
229.03833	3.0
231.01659	2.3
237.00659	2.5
237.02783	26.0
238.03067	1.3
243.01756	3.2
243.05388	3.2
246.98048	1.8
248.57785	2.8
249.02927	1.6
255.01608	2.0
255.03889	1.7
261.02759	4.0
267.03812	1.7
303.04349	1.5
303.07501	29.0
309.08878	1.6
321.08493	38.5
322.09048	1.6
333.86050	1.3
340.83438	1.3
345.20648	2.7
359.56061	1.5
363.09445	16.2
363.16199	2.9
363.20477	1.4
369.04840	1.7
370.05533	1.8
387.05942	3.8
388.06177	3.0
389.03506	1.5
389.95370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2368
Annotation	Chimonanthidine
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	0.7
57.03433	2.1
67.05487	1.3
69.03400	0.6
69.07038	1.6
70.11892	2.2
71.04972	0.9
77.53996	0.4
79.05479	1.6
81.07047	3.1
83.01321	5.0
83.04952	0.5
91.05467	2.2
93.07036	2.8
95.08597	1.9
98.21380	0.6
105.07022	3.4
107.04954	0.4
107.08585	6.0
109.06488	1.1
109.10137	1.3
117.06980	1.4
119.08551	0.7
121.06478	2.3
121.10122	4.5
123.11685	1.5
131.08588	1.3
133.10120	3.7
135.08044	5.1
135.11652	1.9
137.13226	0.5
139.03905	1.2
140.67671	0.4
143.08560	0.6
145.10124	2.9
147.08052	0.8
149.05977	2.1
149.09590	2.2
153.05420	3.0
155.08522	0.8
158.07214	0.5
159.08055	1.7
161.05910	1.8
162.06706	1.9
163.03886	0.8
163.07542	5.1
163.11133	2.7
165.05434	1.6
167.07036	0.6
171.07935	0.6
173.09636	2.9
174.60744	0.4
175.07588	2.2
175.11163	0.8
176.08333	1.7
177.05464	5.5
177.09081	13.4
178.09457	0.8
181.04944	0.7
185.06018	0.5
185.09569	0.8
187.07483	1.1
189.09258	0.6
190.06245	1.1
190.96542	0.4
191.06966	1.8
191.10669	4.6
201.09122	4.4
201.53207	0.4
203.06998	6.6
204.07779	2.6
205.08571	16.3
206.08974	0.8
217.08539	1.4
219.10138	56.4
220.10449	3.2
221.08125	4.6
221.10533	0.7
223.09627	15.9
224.10048	0.7
231.10089	0.6
235.09958	0.7
237.11185	100.0
238.11539	5.0
239.11752	1.3
241.12210	0.5
249.11223	0.8
251.12778	1.3
261.11172	0.8
265.12125	0.6
269.11591	0.8
273.14853	1.3
277.17960	0.5
283.13303	1.1
287.12616	0.5
291.15891	2.2
301.14349	1.1
305.16522	1.1
307.16867	0.6
325.17932	3.5
343.18991	30.7
344.19629	2.5
361.19952	9.9
361.23434	6.4
362.20273	0.6
363.59763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
55.05487	5.9
57.07049	6.3
59.04978	2.9
67.05194	1.3
67.05499	17.3
69.03411	6.7
69.07063	100.0
70.02558	9.1
70.07362	2.2
71.04993	6.8
73.90871	1.3
79.05471	8.0
81.03399	2.0
81.06680	1.3
81.07050	17.3
83.01317	5.5
83.04951	2.4
83.08591	2.1
85.02892	1.6
85.06536	1.5
91.05479	10.3
93.07032	22.2
95.04929	4.0
95.08596	14.6
96.02283	1.3
97.06511	3.5
105.03743	1.4
105.07016	18.8
106.07238	1.5
107.04956	2.1
107.07902	2.3
107.08579	34.2
109.02855	3.4
109.06508	8.2
109.09393	2.8
109.10146	46.6
110.10492	1.6
111.04412	4.2
111.08082	1.4
111.11729	2.7
113.05963	2.8
117.06988	1.8
119.08572	6.7
121.06477	7.8
121.10141	21.1
122.10968	1.4
123.04407	2.8
123.08046	4.7
123.11691	30.0
125.02261	1.6
126.87550	1.4
127.03850	1.6
127.11174	2.7
128.87427	1.3
131.08527	3.8
133.06412	3.0
133.10112	20.7
133.80910	1.3
135.04399	3.1
135.08022	4.9
135.11673	33.3
137.05966	9.3
137.09595	2.0
139.03868	4.6
139.11157	5.6
141.05496	2.8
141.07007	1.5
142.41626	1.6
143.08568	3.4
145.10078	4.6
147.08058	2.3
147.11592	4.3
149.02321	6.8
149.05928	5.5
149.09602	2.1
151.03896	2.4
151.07487	5.5
151.11130	2.7
153.05455	69.7
157.06387	1.4
157.10080	2.5
159.08028	3.4
159.11687	1.9
161.05933	5.4
161.09567	9.8
162.06766	2.4
163.07498	6.0
163.11147	4.1
164.04643	2.2
165.05464	65.6
165.09105	2.3
166.05809	1.3
167.07011	6.3
169.04977	8.4
171.07954	3.8
173.09581	3.8
175.07576	6.8
175.11171	5.7
177.05408	9.4
177.09099	7.0
177.12762	2.2
179.07028	8.5
183.06467	6.8
183.07951	2.0
183.11696	1.5
183.46783	1.4
187.07484	2.3
189.05446	3.7
189.09058	18.9
189.12697	1.6
191.07019	14.5
191.10585	2.0
193.04919	8.2
193.08621	7.0
195.06482	1.9
197.08055	4.0
199.07545	2.5
203.07002	15.8
203.10658	2.1
205.08598	34.6
207.06497	4.6
209.07893	2.3
209.13220	1.7
211.09520	2.0
213.09212	1.9
213.12720	2.9
215.65071	2.5
217.08582	24.1
219.10164	7.7
221.08119	14.5
221.11655	26.7
222.12401	1.9
223.09604	29.8
225.07570	5.2
230.09171	1.5
231.10124	8.6
231.13809	3.6
233.08221	1.7
233.11629	2.0
235.09636	59.5
236.09892	2.3
237.07558	1.9
237.11139	2.1
239.09088	19.3
241.12117	2.2
243.10051	3.7
245.11717	4.4
245.14323	3.2
246.66966	1.8
249.11168	2.0
249.15027	2.3
255.13724	2.7
256.26141	2.6
257.11572	1.7
259.09500	2.0
259.13269	4.5
259.16986	1.8
261.11121	2.3
262.10886	1.8
269.11823	1.9
269.15033	1.7
273.14816	10.4
275.16351	17.9
283.13388	2.1
283.16861	1.7
285.03641	1.6
287.13089	3.7
287.16360	37.3
289.03583	1.9
291.15976	4.2
293.17480	25.2
297.18341	2.2
301.14255	3.6
301.17804	3.2
305.10178	2.4
305.17413	5.0
307.16806	2.7
315.19229	5.3
325.18002	12.5
330.27094	4.8
343.18939	60.6
343.22717	14.9
344.19501	3.8
361.08994	2.6
361.19974	65.9
361.23758	7.9
361.28702	24.1
361.79190	10.2
362.20349	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	361.2007
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.03916	0.6
55.01870	0.3
55.05492	1.3
57.03421	0.5
57.07061	0.7
57.52062	0.4
57.67161	0.3
59.04973	0.3
59.17851	0.3
60.68721	0.3
62.15619	0.3
65.03931	0.5
67.05499	3.8
69.03412	1.1
69.07062	2.5
71.04977	1.1
78.32550	0.3
79.05479	3.7
81.07048	19.0
83.01335	5.5
85.06510	0.4
91.04935	0.6
91.05463	5.7
93.07037	5.9
93.76227	0.4
95.04966	1.1
95.08021	0.6
95.08600	10.0
95.64438	0.3
96.56104	0.3
98.21503	0.5
103.05453	0.4
105.06351	0.5
105.07021	9.8
105.07732	0.6
107.08578	12.9
108.08961	0.5
109.06494	1.5
109.10133	3.3
111.08095	0.4
113.05995	1.7
117.07001	0.9
119.04906	0.4
119.08559	1.4
121.06487	3.8
121.10128	12.0
123.08046	0.8
123.11684	1.4
129.01788	0.5
129.06970	0.4
131.08543	2.8
133.06511	0.8
133.10118	13.5
135.08041	4.7
135.11690	2.0
137.09549	0.5
137.13219	2.0
139.07478	0.9
142.07875	0.5
143.08537	1.0
145.06511	0.5
145.10104	0.8
147.04451	0.5
147.07985	0.8
147.11617	1.1
149.05971	1.6
149.09625	3.8
151.07529	0.9
153.05443	2.2
153.12616	0.4
157.06432	0.4
157.10178	0.7
159.08052	4.4
159.11612	0.7
161.06042	0.8
161.09608	1.3
162.06740	4.7
163.03839	0.4
163.07515	6.7
163.11226	0.8
165.05475	4.8
165.09064	0.5
167.07024	18.4
169.04985	0.7
171.08008	0.4
171.11703	0.5
173.09601	1.0
175.07507	1.7
175.11165	3.1
176.08148	0.4
177.05458	0.8
177.09102	12.6
178.09380	0.4
179.07016	1.0
179.10664	1.2
181.08615	0.5
185.09572	0.5
185.13219	0.6
187.07509	3.6
187.14764	0.4
189.09134	1.5
189.73941	0.4
190.06177	0.5
191.06992	3.1
191.10641	0.9
192.07790	1.1
193.08557	0.4
195.06471	0.7
203.07036	4.0
203.10654	1.3
205.08578	56.5
206.08945	2.5
207.10115	4.8
211.09615	0.5
213.09157	0.5
213.12692	0.5
217.08618	1.1
219.10107	2.1
220.10457	0.8
221.08127	3.6
221.11687	3.0
223.09622	60.6
224.09930	2.5
225.09193	0.4
225.11180	8.2
227.10635	0.8
229.08633	1.0
231.10042	1.9
235.09789	0.7
237.10936	2.3
239.08923	0.4
243.10316	0.8
245.11684	0.5
249.11154	4.6
251.14474	0.4
251.17929	1.1
255.13722	1.0
257.11575	0.4
261.11151	0.6
261.16415	0.3
263.12866	0.6
265.12195	1.4
269.11682	3.5
269.14435	0.5
273.14825	1.3
277.12170	0.8
279.17563	0.7
282.12250	0.4
283.13235	3.9
284.13669	0.4
287.12732	1.4
287.15997	0.7
291.16162	0.7
291.19586	1.1
292.14484	0.9
297.15121	0.7
297.18439	1.1
301.14322	5.5
301.81110	0.3
302.14441	0.5
305.17377	0.7
307.16928	2.8
315.15884	0.8
325.17963	10.7
326.18265	0.8
343.19000	100.0
344.19379	6.7
361.20013	30.5
361.23822	2.1
362.20422	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	361.2003
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.00291	0.3
53.03915	0.4
53.54943	0.2
55.01859	3.8
55.05500	3.7
57.03422	0.4
57.07049	0.8
59.04993	2.4
65.03918	0.5
67.01852	0.2
67.05492	3.7
68.99744	0.3
69.03412	1.6
69.07054	13.7
70.07377	0.2
70.41485	1.0
71.04980	2.3
77.03905	0.4
79.05477	3.6
79.35417	0.2
81.03388	0.4
81.07041	8.1
83.01305	0.8
83.04952	0.5
83.08597	1.4
91.04916	0.4
91.05461	6.0
93.07024	7.9
95.04945	1.5
95.08584	6.6
97.02856	0.2
97.06519	1.4
97.10138	0.4
98.20835	0.3
103.05431	0.8
105.03371	0.3
105.04449	0.2
105.06337	0.3
105.07011	5.7
107.01266	0.8
107.04942	1.7
107.08573	7.5
109.02859	1.2
109.06499	1.9
109.09402	0.4
109.10134	5.9
111.04435	0.6
111.11654	0.3
113.05962	0.5
115.05457	1.0
116.06234	0.5
117.07000	3.5
119.04905	0.7
119.08559	4.8
121.06480	14.5
121.10122	1.8
122.06809	0.3
123.04394	0.7
123.08035	0.7
123.11682	19.7
124.11980	0.8
125.05969	0.3
127.03893	1.7
128.06169	0.8
129.06981	3.3
131.04939	1.0
131.08522	1.0
132.05676	0.7
133.05530	0.4
133.06471	5.5
133.07480	0.3
133.10097	2.1
135.04359	0.9
135.08028	16.0
135.11658	7.2
136.08391	0.2
136.12077	0.3
137.05960	0.8
139.03864	0.9
140.89061	0.2
141.12715	0.3
143.08551	0.6
144.05753	0.3
145.06468	1.0
145.10085	0.4
147.04347	0.9
147.08020	11.9
147.11642	0.8
148.08337	0.4
149.05969	2.7
149.09592	0.5
149.13194	0.4
151.02647	0.4
151.03877	8.0
151.07518	0.7
151.11110	0.5
153.05428	3.3
153.12703	2.3
157.06453	5.5
157.10144	0.3
159.04420	0.4
159.08070	1.1
159.11606	0.2
160.05119	0.9
161.05949	17.5
161.09566	0.8
162.06407	0.9
163.03870	2.6
163.07532	3.2
164.04178	0.2
165.05493	1.1
165.06683	0.2
167.06946	0.4
171.08038	0.4
171.11687	0.4
172.08835	0.2
173.05954	0.6
173.09621	0.7
175.03932	0.7
175.07516	25.8
175.11067	0.6
176.07867	1.1
177.05431	3.1
177.09085	1.5
179.03311	0.4
179.06984	0.8
180.09108	0.3
181.04976	0.3
181.08583	0.3
183.07977	0.2
185.05951	3.8
185.09514	0.5
187.07536	0.9
187.11118	0.6
188.04704	0.3
189.05435	0.7
189.09053	1.1
191.06984	7.6
192.07388	0.3
193.08597	1.6
195.06532	1.8
195.08177	0.3
197.09630	0.5
199.07570	0.3
199.11140	0.6
201.09021	0.7
201.12744	0.3
203.06989	100.0
204.07332	4.3
205.08556	10.7
206.08932	0.5
207.10127	0.3
209.08044	5.0
209.13121	0.3
210.08452	0.3
211.07320	0.2
213.09055	0.6
213.12645	0.7
215.07016	0.5
215.10611	0.7
217.05135	0.2
217.08537	2.6
217.11867	0.3
219.10072	0.6
220.10413	0.3
221.08043	71.1
222.08374	2.9
223.09589	9.1
224.09978	0.4
226.09862	0.4
227.06966	0.3
227.10635	1.5
229.08609	0.4
229.12210	0.7
231.06494	0.3
231.10129	1.1
231.13741	0.5
233.08041	0.7
233.11763	0.4
235.09586	1.6
239.09109	0.6
241.08566	0.7
241.12151	0.3
242.09154	0.3
243.10147	1.7
245.11691	1.3
245.15431	0.2
249.07544	0.4
249.11116	0.5
251.09053	0.5
255.10101	0.3
255.13687	0.4
257.11655	0.8
259.09540	0.4
261.11151	2.5
263.12775	0.9
265.12283	0.3
269.11649	2.5
273.11212	0.9
273.14813	2.4
275.12695	1.3
279.12238	0.4
283.13184	1.0
285.14716	0.3
287.12735	3.1
287.15891	0.3
288.12875	0.2
291.12326	0.7
291.15808	7.8
292.16168	0.5
297.18420	0.5
301.14508	0.2
303.15704	0.5
305.13580	0.4
305.16730	0.4
307.16855	1.4
315.19400	0.4
319.18948	0.5
325.17929	7.9
326.18289	0.5
343.18967	30.4
344.19336	2.1
361.20010	53.5
362.20334	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	361.2004
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.93541	0.3
55.05486	0.8
57.03414	0.4
57.07019	0.3
61.22715	0.3
65.03919	0.5
67.05497	1.9
69.03390	0.9
69.07047	0.7
69.67780	2.6
71.04967	0.8
75.78616	0.3
77.38514	0.3
79.05479	2.7
81.07044	5.4
83.01325	4.4
91.05467	4.2
93.07032	5.6
93.57759	0.3
95.04932	0.6
95.08592	5.8
105.07017	9.1
107.08583	11.2
109.06494	0.9
109.10153	2.2
113.05970	0.8
115.05432	0.3
117.06980	0.5
119.08547	1.1
121.06493	2.3
121.09257	0.6
121.10130	11.8
121.56532	0.3
122.10426	0.5
123.04382	0.3
123.08029	1.0
123.11684	0.4
128.06107	0.4
131.08549	3.0
133.06522	0.3
133.10109	12.2
134.10439	0.4
135.08032	4.5
135.11623	0.3
137.05925	0.3
137.13243	0.5
139.07516	0.5
143.08525	0.4
145.10049	0.6
147.11655	1.3
149.05949	1.1
149.09602	3.3
151.07504	0.8
153.05414	1.9
157.10086	0.8
159.08049	5.0
161.05910	0.4
161.09633	0.4
162.06746	4.7
163.07506	7.9
163.11136	0.4
165.05510	0.6
167.07028	4.6
167.08389	0.6
173.09569	0.6
175.07506	0.8
175.11159	3.2
177.05592	0.6
177.09090	12.5
178.09427	0.3
179.06973	0.9
181.08539	0.5
181.10072	0.6
185.09567	0.8
187.07521	3.9
189.09085	1.2
190.06232	0.6
191.07037	2.6
191.10591	0.4
192.07823	0.6
193.08609	0.9
195.06451	0.4
201.09038	0.6
203.06993	1.3
203.10614	0.9
205.08574	58.6
206.08875	2.4
207.10109	1.1
209.13208	0.8
211.09618	0.6
213.09128	0.7
217.08582	0.7
217.12219	0.4
219.10083	1.9
221.08109	0.6
223.09619	59.3
224.09982	2.2
225.11150	2.4
229.08620	0.8
231.10141	1.9
235.09523	0.4
237.11160	1.4
237.24869	0.4
241.08621	0.3
241.12296	0.7
242.12596	0.3
243.10149	0.6
245.08191	0.3
245.11667	1.1
249.11154	5.7
251.14430	0.3
251.17926	1.1
253.11964	0.4
255.10121	0.4
255.13811	1.1
256.14209	0.3
257.11554	0.6
261.11261	0.5
261.16342	0.3
264.15079	0.3
265.12292	1.6
269.11713	3.4
269.14835	0.4
270.12195	0.4
272.14050	0.4
273.14813	1.4
277.12167	0.6
279.17340	0.7
283.13266	4.7
287.12695	1.3
291.19446	0.4
292.14380	0.7
295.13324	0.4
297.15213	0.4
297.18466	0.8
301.14319	5.9
307.16864	2.6
315.15820	0.7
325.17923	10.1
326.18384	0.5
343.18991	100.0
344.19321	8.9
361.20016	27.5
362.20462	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2003
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
52.72541	0.3
55.01865	0.6
55.05499	0.8
65.03928	0.4
67.05501	2.0
68.37785	0.3
69.03397	0.8
69.07045	0.9
69.67530	2.4
69.67941	0.4
71.04969	0.9
79.05473	1.9
81.07059	1.4
81.07432	0.3
83.01318	4.4
91.05465	5.3
93.07030	5.7
95.04935	0.9
95.07999	0.4
95.08595	6.4
102.59523	0.3
105.07016	8.5
106.04497	0.3
107.08581	12.4
108.08894	0.5
109.06502	1.1
109.10122	2.4
111.04395	0.3
113.05967	0.7
115.05476	0.3
117.07013	0.7
119.08546	1.2
121.06473	2.4
121.09249	0.6
121.10130	12.6
122.10478	0.4
123.04542	0.3
123.08022	0.5
123.11692	0.6
129.06972	0.4
131.08546	2.4
133.06444	0.5
133.10106	12.6
134.10495	0.5
135.07141	0.4
135.08047	3.7
135.11688	0.7
137.05956	0.4
143.08521	0.7
145.06483	0.4
145.10117	0.4
147.08102	0.4
147.11670	0.9
149.05927	1.0
149.09599	2.8
151.07588	0.4
153.05466	2.1
157.10124	0.7
159.08029	4.3
160.16629	0.3
161.05977	0.5
162.06721	4.1
163.03911	0.3
163.07513	7.0
165.05521	1.5
171.07922	0.4
173.09569	1.0
175.07469	0.4
175.11179	3.0
176.11443	0.4
177.05493	0.6
177.07529	0.7
177.09084	11.5
178.09505	0.4
179.07034	0.7
181.04857	0.4
185.08061	0.5
185.09584	0.8
185.13234	0.5
187.07510	3.5
188.08183	0.5
189.09090	1.3
191.07014	2.5
191.10599	0.6
192.07724	0.7
193.08582	0.5
195.06477	0.8
201.09077	0.4
203.07034	0.4
203.10622	1.5
203.50154	0.3
205.08572	58.2
206.08926	2.8
209.13248	0.5
211.09489	0.4
213.09009	0.4
213.12711	0.5
217.08524	0.9
219.06686	0.4
219.10121	3.1
220.10522	0.8
221.08035	1.0
221.11794	1.4
223.09616	60.0
224.09961	2.7
227.10506	0.5
228.24069	0.3
229.08554	0.5
231.10075	2.0
233.11664	0.5
235.09555	0.4
237.11134	1.2
237.13086	0.5
238.11526	1.1
239.09094	1.2
239.11705	1.0
240.11722	0.4
241.12105	0.7
245.11699	0.9
249.11125	5.3
251.17984	0.7
255.10092	0.5
255.13792	1.0
257.11673	0.5
261.11063	0.5
264.15027	0.3
265.12161	1.4
269.11694	3.4
272.13873	0.4
273.14832	1.5
275.16336	0.6
277.12231	0.6
279.17371	0.9
281.11838	0.5
283.13297	4.5
283.16440	0.6
287.12781	1.4
291.16074	0.6
292.14575	0.9
297.14850	0.9
297.18469	0.8
301.14279	5.0
307.16956	3.4
315.15997	0.7
325.17947	10.5
326.18246	0.8
343.18988	100.0
344.19363	10.1
361.19971	24.7
362.20410	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	361.2004
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.03937	0.6
55.01856	0.5
55.05490	1.9
57.03404	0.5
57.07049	1.2
59.04973	0.3
62.07590	0.3
65.03909	0.5
67.05154	0.5
67.05492	7.0
69.03420	1.6
69.07053	4.6
71.00478	0.9
71.00837	0.5
71.04973	1.4
79.05467	3.0
81.07048	1.8
83.01324	6.4
85.06503	0.9
91.05468	4.4
93.07030	8.8
95.04949	1.0
95.08591	20.4
96.08900	0.6
97.10141	0.4
99.04411	0.3
105.07018	9.1
107.04930	0.7
107.08582	13.6
108.08944	0.3
109.06510	1.6
109.10146	2.2
111.04381	0.7
113.05957	0.7
117.06979	1.2
119.08582	1.8
121.06472	3.6
121.09269	0.7
121.10130	12.8
122.10417	0.4
123.04380	0.6
123.08040	1.6
123.11659	1.0
129.07002	0.4
131.08542	2.5
133.06467	0.5
133.10109	10.1
134.10431	0.5
135.08035	5.1
135.11682	7.2
136.11978	0.3
137.05927	0.9
137.13268	0.4
139.11160	2.2
141.05421	0.4
141.06964	0.4
143.08527	0.5
145.06392	0.4
145.10107	1.2
147.04373	0.4
147.08058	0.4
147.11664	1.0
149.05997	2.2
149.09589	4.4
151.07524	1.3
151.11124	0.7
153.05417	2.0
157.10114	1.0
159.08015	4.9
159.11665	0.3
161.05954	1.1
161.09589	1.3
162.06752	4.6
163.07516	10.0
163.11174	0.8
164.07985	0.5
165.05464	1.2
165.09126	0.4
167.06999	1.2
169.05081	0.3
169.10173	0.4
169.31186	0.3
171.08002	0.5
173.09595	1.4
175.07503	1.5
175.11160	4.6
177.05479	0.6
177.09085	13.7
178.09421	0.6
179.07005	3.3
181.08566	0.4
181.10085	0.5
185.08110	0.4
185.09573	1.1
185.13203	0.6
187.07541	4.6
187.11133	0.4
189.05487	0.4
189.09076	1.9
191.07016	7.8
191.10649	0.9
192.07663	1.3
192.86931	0.4
193.08551	1.1
195.06490	1.2
195.11725	0.4
197.08038	1.0
199.11090	0.4
201.09029	0.3
203.06990	2.3
203.10658	3.4
205.08574	72.2
206.08913	4.0
207.06520	0.7
207.10107	0.5
209.08043	2.8
209.09698	0.4
209.13232	0.7
211.09470	0.5
211.11253	0.4
213.09109	0.8
213.12592	0.7
215.10500	0.5
217.08615	1.1
219.10065	2.0
221.07985	2.1
223.09615	77.0
224.09947	3.3
225.07587	0.9
226.09863	0.7
227.08904	0.7
227.10826	0.5
229.08530	0.5
231.10130	6.1
232.10469	0.5
233.11583	1.6
237.10844	0.6
237.12689	1.1
238.11835	0.4
239.09138	1.1
240.11412	0.6
241.08527	0.3
241.12289	1.5
242.09396	0.5
243.10098	1.0
245.07837	0.4
245.11784	0.9
246.14084	0.3
247.09618	0.4
249.11143	7.7
250.11455	1.0
251.12434	0.6
251.18002	1.5
255.13698	2.0
256.11011	0.5
257.11673	3.7
258.12415	0.4
261.16476	0.4
264.14954	0.8
265.12399	2.5
267.12271	4.9
268.10764	0.7
269.11685	6.7
269.14844	0.5
270.12173	0.9
273.14783	5.8
274.15314	0.4
275.12726	3.2
277.12195	1.2
279.12231	1.2
279.17407	1.7
283.13217	7.4
284.13388	0.6
285.14679	0.4
287.12772	2.1
287.15994	0.5
291.15808	1.2
292.14609	1.4
293.13788	7.6
294.14346	0.4
295.13309	0.7
297.18439	1.4
301.14340	8.5
307.16891	4.6
315.19333	1.0
325.17929	13.0
326.18359	1.2
343.18988	74.0
344.19366	6.2
361.20023	100.0
362.20349	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	361.2002
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
52.48840	0.6
55.05458	0.6
59.89119	0.6
60.80099	0.6
62.93059	0.6
67.05441	2.3
69.03378	1.3
69.07022	0.8
70.03300	0.9
70.03715	2.6
71.04932	1.4
79.05466	2.9
81.07049	13.8
81.07493	0.9
83.01337	4.7
83.04914	0.6
91.05463	6.2
93.07046	3.4
95.04908	1.2
95.08582	7.2
105.07011	12.3
107.08582	15.8
109.06480	1.4
109.10159	3.2
114.90576	0.5
117.06926	0.8
119.08494	1.4
121.06427	1.5
121.10091	4.6
123.04351	0.8
123.08018	1.0
131.08479	1.9
133.10112	18.3
135.08061	3.3
137.05864	0.6
145.10052	1.1
147.11607	1.6
147.83708	0.6
149.09541	1.6
153.05446	0.8
159.08043	3.5
161.05962	0.9
162.06694	2.1
163.07500	5.0
169.04884	1.3
173.09619	0.9
175.11195	4.2
177.07828	0.6
177.09111	8.2
185.09627	1.0
187.07478	3.0
188.03400	0.6
189.09044	0.8
191.07027	3.7
191.10576	0.8
192.07579	0.8
193.08635	1.1
195.06444	1.1
203.10603	1.4
205.08578	46.4
206.08861	1.4
206.23004	0.6
217.08453	1.8
219.10110	2.7
223.09625	43.4
224.09830	1.5
227.10558	1.0
229.08598	1.4
231.10121	2.4
235.09656	0.7
237.11024	1.4
243.10164	1.0
245.11607	2.2
249.11015	4.1
255.13690	1.6
261.11084	0.7
263.12726	1.6
264.14948	0.9
265.12210	1.9
269.11630	4.4
269.14468	1.1
272.14108	0.7
273.14822	1.0
279.17288	1.0
281.13876	4.4
283.13284	4.8
287.12653	1.2
289.16019	0.9
291.16119	1.1
292.14713	1.3
297.14938	0.8
297.18390	1.6
301.14365	7.4
307.16861	4.4
325.17950	14.8
326.18463	1.4
343.19000	100.0
344.19308	7.2
361.20038	52.0
362.20474	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	361.2002
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
52.68027	0.3
53.03934	0.3
55.01853	0.5
55.05481	1.3
67.05494	5.5
69.03398	1.2
69.07062	0.3
69.91628	2.1
71.04962	1.8
75.56693	0.3
79.05479	2.4
81.07023	1.3
83.01325	6.4
84.54848	0.3
90.61140	0.3
91.05460	6.7
93.06502	0.5
93.07028	5.9
94.07359	0.3
95.04930	1.0
95.08588	17.4
95.83836	0.3
96.08929	0.4
105.03355	0.3
105.06332	0.7
105.07012	10.0
107.08572	13.6
108.08920	0.4
109.06470	1.3
109.10130	4.0
111.08022	0.3
113.05965	0.8
115.05425	0.5
117.06979	1.0
119.08572	1.8
121.06490	2.7
121.09238	0.6
121.10117	10.5
123.04414	0.4
123.08020	1.2
123.11676	0.4
129.06935	0.6
131.08545	3.2
133.06430	0.4
133.10104	14.3
135.08023	5.1
137.05930	0.4
139.07471	0.5
141.05421	0.7
141.06911	0.5
142.07750	0.3
143.08531	0.7
145.06383	0.5
145.10077	1.3
146.07239	0.3
147.08043	0.4
147.11652	1.5
149.05969	1.3
149.09586	3.9
151.07471	1.3
151.11147	0.4
153.05469	1.5
156.05659	0.3
157.10049	0.5
159.08029	6.0
159.11647	0.5
161.05962	0.7
161.09567	0.9
162.06723	5.2
163.07510	10.3
164.07724	0.4
165.05446	0.4
165.09035	0.4
167.07008	0.7
169.04834	0.5
171.07957	0.6
173.09592	1.6
175.07452	0.9
175.11160	4.9
177.05550	0.5
177.09084	16.4
178.09360	0.7
179.07025	2.9
179.08501	0.5
181.08496	0.6
181.10054	0.5
185.09569	0.9
185.13167	0.6
187.07500	5.3
188.08176	0.4
189.09077	1.9
191.06993	6.1
191.10651	0.6
192.07748	1.0
193.08591	0.9
195.06522	1.7
195.08049	0.4
195.11646	0.5
197.08043	0.8
199.11102	0.5
201.09074	0.3
203.06972	1.1
203.10663	2.9
205.08563	81.5
206.08905	3.4
209.07967	1.8
209.13187	1.0
211.09575	0.7
211.11351	0.5
213.09077	0.9
213.12646	0.7
216.07700	0.5
217.08556	1.7
217.12050	0.3
219.09982	2.0
221.08080	0.5
221.13440	0.5
223.09604	84.7
224.09941	4.0
226.09830	0.7
227.10655	0.8
227.14290	0.6
229.08636	0.8
229.12276	0.3
230.09462	0.4
231.10118	5.2
233.11595	0.5
235.09569	2.2
237.10912	0.9
237.12730	1.4
240.11482	0.8
241.12199	2.1
243.10106	1.1
245.11667	1.3
245.14224	0.4
247.09581	0.4
249.11128	8.0
251.14352	0.5
251.17870	1.4
254.09503	0.4
254.12596	0.3
255.13855	1.4
257.11652	0.7
261.11176	0.6
261.16348	0.4
263.12875	0.4
264.15045	0.7
265.12256	3.2
265.15216	0.4
267.12192	4.4
268.10724	0.4
269.11676	7.5
269.14792	0.5
269.18912	0.5
270.12161	0.9
272.14001	0.3
273.14786	4.8
277.12125	1.0
278.12976	0.4
279.12250	0.7
279.17499	2.0
282.12299	0.4
283.13263	7.8
283.16321	0.3
284.13455	0.7
287.12747	2.1
288.13367	0.3
289.15884	0.7
291.15820	1.2
292.14493	1.9
295.13062	0.4
297.14966	0.6
297.18445	1.2
301.14291	9.2
307.16846	4.9
308.17084	0.5
310.15475	0.6
315.15735	0.9
315.19193	0.5
325.17917	14.3
326.18286	1.2
343.18973	97.0
344.19281	8.3
361.20023	100.0
362.20386	8.2
379.03510	0.3
381.90765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2002
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
53.03938	0.4
55.01858	2.3
55.05494	0.9
57.03439	0.2
57.07064	1.3
65.03934	0.3
67.01870	0.2
67.05492	2.6
68.99779	0.3
69.03419	0.6
69.07060	1.6
69.49330	1.4
69.49751	0.5
71.04990	0.6
75.29459	0.1
77.03939	0.3
79.05473	2.3
80.05811	0.2
81.03444	0.2
81.07043	11.0
82.07390	0.6
82.21629	0.2
83.01353	0.5
83.08625	0.2
85.75082	0.1
85.86626	0.1
91.05461	4.0
93.07029	4.0
94.07364	0.5
95.04959	0.9
95.08593	3.0
96.08915	0.2
97.06510	0.2
103.05461	0.4
105.03388	0.5
105.07011	4.2
106.20725	0.2
107.01284	0.6
107.04948	1.0
107.08578	5.7
108.08906	0.6
109.02871	0.3
109.06501	1.2
109.10137	3.0
110.10460	0.4
111.04449	0.3
115.05449	0.6
116.06197	0.2
117.06998	2.4
119.04919	0.3
119.08560	3.7
121.06488	9.3
121.10114	2.2
122.06850	0.3
122.10895	0.3
123.04398	0.4
123.11684	40.6
124.12016	2.0
125.12374	0.2
127.03870	0.4
128.06201	0.7
129.01837	0.2
129.06975	2.9
130.07343	0.2
131.04910	0.6
131.08580	0.8
132.05699	0.5
133.06470	4.8
133.10104	1.0
134.06767	0.2
135.04424	1.0
135.08031	13.9
135.11665	5.1
136.04776	0.4
136.08394	0.4
136.12009	0.5
137.04945	0.2
137.05959	0.5
137.12347	0.2
137.23688	0.2
139.03880	0.3
143.04893	0.2
143.08522	0.5
145.06476	0.3
145.10092	0.3
147.04376	0.7
147.08026	9.3
147.11646	1.0
148.08354	0.3
149.05937	1.9
149.09636	0.4
149.13237	0.6
151.03883	4.2
151.07535	0.6
152.04182	0.2
153.05441	0.6
157.06464	4.0
157.10068	0.3
158.06927	0.4
159.04390	0.2
159.08067	0.6
160.05150	0.6
161.05956	15.9
162.06351	0.6
163.03873	3.7
163.07544	0.9
164.04227	1.2
164.07884	0.2
165.04233	0.8
165.05481	0.7
167.07004	0.3
171.08047	0.3
173.05934	0.3
173.09581	0.3
175.03961	0.6
175.07520	22.3
176.07869	1.1
177.05446	2.0
177.09084	0.6
177.12715	0.2
178.05869	0.2
178.09402	0.3
179.03337	0.3
179.06995	0.4
181.04936	0.9
181.24559	0.2
182.05318	1.1
183.05463	0.6
185.05960	3.4
187.07533	0.3
188.04655	0.3
189.09116	0.3
189.20995	0.2
191.07007	1.7
191.10576	0.2
192.07364	0.3
192.11009	0.3
193.08752	0.9
195.06493	1.6
197.07976	0.2
199.07387	0.2
201.09053	0.4
202.09538	0.2
203.06993	100.0
204.07338	4.7
205.08577	2.4
206.08858	0.3
209.08070	1.5
213.12727	1.2
215.07025	0.2
215.10622	0.2
217.08560	1.2
218.08943	0.2
219.06610	0.2
219.10097	2.8
220.10464	4.0
221.08057	84.8
221.10445	4.1
222.08406	3.8
222.10402	0.1
223.09549	2.0
227.10513	0.2
229.08653	0.3
231.10123	0.4
231.13686	0.2
233.11349	0.2
234.12001	0.3
235.09590	0.5
235.12259	0.6
237.11044	1.3
238.11554	1.2
239.09091	1.0
239.11646	1.7
241.08522	0.6
241.12173	0.2
243.10156	0.6
245.07971	0.2
245.11592	0.5
252.13115	0.5
253.13382	0.8
255.10269	0.3
255.13699	0.3
257.11575	0.3
259.09491	0.3
261.11209	0.3
261.16290	0.3
262.10715	0.5
263.12711	0.2
265.12146	0.3
269.11566	0.5
269.14325	0.3
273.14792	1.1
277.13235	0.4
279.17429	0.2
283.13174	0.6
285.14722	0.3
286.15088	0.7
287.12610	0.3
287.15405	1.9
289.15732	0.3
291.15860	3.0
293.13712	0.2
297.18350	0.3
304.16400	0.2
305.16406	0.9
307.16861	2.0
307.54959	0.2
315.19409	0.3
325.17911	5.2
326.18253	0.5
343.18933	74.7
344.19324	6.6
361.19812	40.8
362.15744	0.2
362.20273	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	361.2005
Annotation	Cyclocoulterone
Peak:m/z	Relative Intensity
52.94675	0.3
53.39654	0.3
55.01863	2.6
55.05503	0.8
57.03423	1.1
57.07061	1.5
65.03934	0.5
67.05496	2.7
69.03416	1.0
69.07063	2.1
70.70218	1.2
71.04987	0.8
79.05476	3.3
80.05820	0.3
81.07043	12.4
82.07396	0.7
83.01331	1.6
83.04974	0.5
83.08620	0.6
91.05472	4.5
92.05831	0.3
93.07030	4.5
94.07362	0.5
95.04945	1.1
95.08582	4.0
105.03390	0.5
105.07007	5.8
107.01251	0.6
107.04941	1.4
107.08575	7.3
109.02872	0.6
109.06492	1.7
109.10143	3.6
113.05984	0.3
115.05468	0.6
117.07011	2.4
119.04946	0.4
119.08569	4.1
121.06486	9.3
121.10119	3.1
122.06818	0.4
122.10905	0.4
123.04423	0.4
123.11689	43.9
124.12003	2.5
127.03907	0.4
128.06204	1.0
129.01799	0.6
129.06989	3.1
131.04883	0.4
131.08554	1.3
132.05678	0.6
133.06483	4.7
133.10126	1.8
135.04408	1.5
135.08037	15.3
135.11679	5.7
136.08360	0.7
136.11990	0.5
137.05945	0.8
139.03888	0.6
143.08600	0.4
145.06413	0.5
145.10114	1.3
147.04353	0.4
147.08029	11.1
147.11676	0.8
148.08360	0.4
149.05949	2.8
149.09601	1.2
149.13202	0.5
151.03891	4.9
151.07500	0.7
152.04201	0.3
153.05441	2.0
157.06464	4.3
159.08009	1.0
160.05211	1.0
161.05951	17.1
161.09586	0.4
162.06415	0.6
163.03909	4.2
163.07521	1.7
163.11214	0.4
164.04239	1.1
164.07883	0.5
165.04298	0.5
165.05476	1.4
168.66513	0.3
171.08073	0.5
173.05867	0.4
173.09605	0.9
175.07527	23.2
176.07866	0.9
177.05460	2.5
177.09102	3.0
177.12672	0.6
178.05838	0.4
178.09415	0.6
179.03397	0.4
179.07045	0.9
179.09726	0.3
181.04897	1.3
182.05280	1.2
183.05450	0.9
185.05965	3.7
187.07616	0.7
189.09122	0.6
191.07014	2.6
191.10629	1.6
192.11093	0.3
193.08601	1.1
195.06558	1.9
197.08049	0.4
201.09055	1.1
202.09459	0.5
203.07002	100.0
204.07372	4.4
205.08563	5.2
209.08038	1.6
209.13295	0.3
213.09109	0.4
213.12682	0.8
215.06976	0.5
215.10524	0.4
217.08549	1.6
219.07959	0.6
219.10135	16.0
220.10487	5.8
221.08066	82.5
221.10472	4.6
222.08409	4.1
222.10449	0.5
223.09566	4.8
223.11490	0.4
227.06987	0.4
227.10658	0.4
228.07443	0.3
231.10034	0.7
235.09657	0.9
237.11172	18.7
238.11511	3.9
239.09082	2.2
239.11723	3.3
241.08562	0.5
243.10112	0.6
245.11525	0.4
247.09642	0.4
249.11214	0.4
251.12871	0.4
252.12971	0.8
253.13391	0.5
255.13708	0.5
257.11639	0.3
261.11237	0.4
262.10974	0.4
262.63474	0.3
269.11655	1.0
273.14841	1.3
275.12643	0.4
283.13141	0.8
285.14780	0.6
286.15179	0.6
287.12570	0.6
287.15402	1.7
291.15869	2.9
297.18420	0.8
305.16486	0.9
307.16876	2.0
315.19501	0.5
325.17950	6.5
325.21793	0.4
326.18344	0.4
343.18961	79.3
344.19302	7.5
361.19876	43.1
362.20392	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	361.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48542	0.8
55.01851	0.9
57.03412	2.4
57.51464	1.0
59.04990	21.9
61.02915	1.1
67.05475	1.6
69.03414	4.0
70.06566	1.1
70.13882	1.7
70.14294	4.0
71.04976	7.4
79.05484	3.2
81.07038	5.6
85.02897	5.5
85.06516	1.1
91.05457	3.2
93.07034	15.9
95.04944	1.6
95.08604	1.7
97.02844	1.7
97.06495	1.8
105.07008	3.4
107.08569	5.1
109.06488	5.2
109.10168	1.2
117.06959	1.0
119.04916	1.0
119.08553	5.7
121.06492	1.8
121.10123	22.7
123.04416	3.9
123.08069	6.0
124.04767	2.1
125.09624	0.8
127.07540	1.8
129.40477	0.9
130.07713	0.9
134.26245	0.8
135.11678	3.0
137.05959	2.4
139.07539	2.9
139.11165	3.3
145.04929	1.8
145.10103	13.4
147.04436	1.0
151.07538	1.3
161.05981	1.3
163.07553	2.6
163.11159	34.8
181.12213	64.2
182.12579	1.7
187.03938	4.1
189.09019	1.2
191.03305	0.9
191.07013	3.6
191.08798	0.9
192.07387	3.7
199.13278	58.2
199.70451	0.9
200.13696	1.1
201.05653	1.5
203.03296	1.3
203.42010	0.8
208.09637	4.9
209.09984	9.5
215.03371	2.7
229.04898	4.4
231.02943	1.3
243.02876	9.4
245.04591	1.9
257.04471	7.8
258.05084	0.9
261.03931	8.0
273.03946	5.1
285.03900	100.0
286.04224	8.4
287.01859	3.6
289.03387	25.9
290.03748	1.8
301.03638	1.7
301.07059	5.8
303.04916	3.5
343.08121	22.3
343.19177	0.9
344.08289	2.4
361.09152	55.3
361.14423	4.8
362.09488	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	361.11
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41212	0.4
70.38612	1.8
72.08083	0.4
79.19118	0.4
80.00194	0.4
86.09674	0.5
87.00136	0.4
101.36745	0.5
125.51131	0.4
137.05782	0.5
147.04379	0.9
163.03854	0.9
167.07111	0.4
185.04208	3.0
192.89662	0.4
199.05753	100.0
200.06131	1.5
237.83531	0.4
274.20303	0.4
343.19009	0.5
361.11041	36.0
362.11426	1.3
365.53003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
53.94792	0.5
55.01853	1.9
55.05487	0.8
63.20756	0.6
67.05476	1.3
69.03413	2.0
69.48878	5.8
70.06585	1.3
73.02877	0.5
79.05481	7.5
81.03423	0.9
81.07031	2.7
84.04517	0.6
84.08108	1.8
85.02895	4.8
86.09674	2.1
91.05467	5.7
93.07031	14.5
95.04954	3.5
95.08575	1.2
97.02860	2.4
97.06497	1.4
103.05436	0.8
105.03260	0.6
105.07021	0.7
107.04958	0.8
108.04447	1.2
109.06512	1.1
111.04405	0.9
111.08054	1.2
113.05975	1.1
116.07098	1.3
119.04909	1.7
121.06491	17.6
123.04420	1.3
123.08060	7.5
127.03893	0.7
129.10237	0.6
131.04887	0.8
135.08063	0.6
135.11690	0.6
136.03937	0.9
137.05957	2.0
137.09526	0.6
139.07530	15.0
145.04958	0.8
147.04378	6.4
149.05975	5.6
161.44711	0.6
163.03856	1.7
163.07513	1.2
165.05486	0.7
167.07022	100.0
168.07364	3.0
169.02585	2.5
181.08598	1.0
181.12225	0.9
185.08064	2.9
199.09622	31.2
205.08591	1.5
211.07002	0.7
212.50940	0.6
215.05272	3.5
223.09587	1.4
258.17010	0.7
285.03897	1.3
289.03079	0.6
343.07822	1.5
343.19012	2.4
361.08978	8.2
361.13620	0.9
361.19983	2.4
362.09076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0911
Annotation	Dibefurin
Peak:m/z	Relative Intensity
69.97456	2.6
77.79834	0.4
116.17518	0.4
126.03127	1.2
136.01544	0.5
151.00221	0.8
160.05176	1.4
160.81517	0.5
165.01814	2.1
187.03758	0.5
188.04666	1.8
190.02589	1.1
192.04295	0.4
203.03372	0.7
205.04996	0.8
215.03366	1.9
216.04124	14.3
217.04849	0.6
218.01981	0.6
219.02834	0.5
233.04501	2.5
243.00188	0.4
243.02858	1.0
244.03629	23.7
245.04236	1.3
247.02335	1.0
248.03181	0.6
257.04346	0.7
260.03070	1.1
261.03906	23.5
262.04184	1.0
272.03113	25.0
273.03830	2.2
275.01865	1.5
276.02631	7.0
285.03894	12.3
286.04449	1.3
289.03378	39.5
290.04144	28.8
291.04941	12.9
292.05441	0.6
318.03558	1.1
343.08008	0.6
361.09113	100.0
362.09506	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0912
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
56.69352	0.5
59.04717	0.7
59.04994	10.8
67.05468	0.7
69.07026	1.0
70.45889	2.3
80.57511	0.6
81.07032	1.3
85.02893	0.5
88.90592	0.5
93.06997	1.1
95.08578	1.0
105.07007	1.3
107.08562	1.2
118.96102	0.5
119.08535	0.5
121.10151	0.7
123.04404	1.5
130.36436	0.5
135.11644	1.2
147.11571	0.6
167.06993	1.0
177.01837	0.8
181.69777	0.6
187.03848	0.8
201.05438	1.6
205.08545	1.6
215.03409	1.0
216.04033	0.7
217.05026	0.8
223.09602	1.4
228.04158	0.8
229.04971	4.3
239.03386	1.0
243.02818	1.3
245.04446	1.0
256.03619	1.6
257.04404	12.0
258.04730	0.6
260.03189	2.4
261.03839	1.0
273.03882	2.3
285.03897	100.0
286.04303	4.8
289.03473	2.6
293.02930	0.6
301.06967	1.2
315.08560	0.6
325.07123	0.5
343.07953	4.0
343.18869	2.3
361.09045	5.0
361.12885	1.0
361.20001	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	361.0911
Annotation	Hyperxanthone B
Peak:m/z	Relative Intensity
59.04990	15.7
61.45526	0.4
68.99783	0.6
69.90321	0.3
70.23637	0.8
70.24031	0.8
71.22823	0.3
85.38521	0.3
91.05473	0.4
93.07057	0.4
98.21458	0.4
102.03728	0.4
110.67302	0.3
132.04764	0.4
139.05389	1.1
145.06500	0.4
149.07425	3.0
157.06578	0.3
161.05916	0.5
167.06963	0.6
175.07387	0.3
177.01802	1.0
195.04364	0.4
196.06438	0.3
201.05435	0.8
213.05437	9.1
215.03448	0.3
217.04997	0.8
228.04121	0.8
229.04959	4.0
239.03410	1.0
241.67572	0.4
243.02791	0.9
256.03656	1.5
257.04404	10.7
258.04926	0.8
260.03134	1.6
261.03723	0.5
270.64185	0.5
285.03891	100.0
286.04276	4.5
286.07184	0.6
343.08099	1.0
343.19055	0.8
361.09036	0.9
361.19879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0916
Annotation	Versiconol
Peak:m/z	Relative Intensity
50.43013	0.3
51.61688	0.3
55.05491	0.9
59.04994	4.2
59.93457	0.3
67.05494	0.6
68.99763	0.3
69.03425	3.0
69.07050	0.7
70.09872	0.3
71.04987	0.5
71.81152	0.3
71.81606	0.4
77.71988	0.3
79.05492	0.6
81.07040	0.9
83.01342	0.3
83.04927	0.4
85.02853	0.4
85.06550	0.4
91.05462	0.6
93.07030	1.4
95.04951	0.5
95.08585	0.8
105.07004	1.2
107.08582	1.2
109.10148	0.8
119.08587	0.6
121.10133	0.9
123.04475	0.5
123.11655	0.5
133.10107	1.1
135.11670	1.1
137.05989	0.4
137.13197	0.5
147.11690	0.6
149.05945	0.7
153.01822	0.9
157.10078	0.4
163.11163	0.5
165.05508	0.5
167.07007	1.3
173.09615	0.8
175.11333	0.5
203.03426	1.3
205.08591	1.0
217.04916	1.0
219.10268	0.4
221.08183	0.5
223.07632	0.4
223.09561	1.6
228.04158	0.6
229.04941	1.1
229.18504	0.3
231.02885	2.1
241.05019	0.4
243.02922	0.6
245.04424	9.2
246.04926	0.7
251.06966	2.3
253.04938	0.4
254.05627	0.5
255.06314	0.7
256.03711	0.5
257.04456	1.5
259.02478	0.9
260.03091	2.8
261.03879	1.2
269.08136	1.2
273.03897	29.3
274.04486	3.4
279.06482	3.3
282.05246	2.7
283.05826	1.0
285.03915	10.9
286.04218	0.7
287.01828	4.5
287.05283	0.9
289.03513	2.6
297.04230	0.7
297.07553	6.1
301.03394	8.4
301.07037	25.1
302.04071	0.6
302.07425	1.8
310.04645	0.7
313.07010	1.1
315.08594	11.9
316.08789	0.4
325.07053	9.8
325.17816	0.5
326.07358	1.0
343.08084	100.0
343.18918	2.6
344.08420	7.4
361.09143	4.5
361.12982	0.4
361.20004	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0913
Annotation	Hyperxanthone B
Peak:m/z	Relative Intensity
59.04993	17.0
68.99783	0.5
69.03407	0.9
69.07044	1.4
69.93261	3.6
71.84505	0.5
79.96001	0.5
81.07014	0.6
84.08108	0.5
85.02885	0.8
91.05448	1.0
93.07005	0.6
97.06494	1.1
121.06464	0.9
125.09544	0.6
167.48221	0.5
173.29971	0.5
181.08543	0.8
187.03845	6.9
203.03368	4.6
205.05110	0.6
215.03360	3.2
217.04765	1.1
229.04950	2.2
231.02864	2.6
233.04437	1.0
240.04109	0.7
243.02864	8.7
245.00851	0.6
245.04445	2.1
255.06526	0.8
257.04483	5.2
259.02322	1.0
260.03134	1.9
261.03894	13.5
262.04327	0.7
268.03662	0.6
271.02365	0.6
273.03876	9.1
282.05121	0.6
285.03897	100.0
286.04224	6.2
287.01819	38.6
287.05115	1.2
288.02112	1.8
288.30939	0.6
289.03391	46.7
290.03616	2.4
297.07751	0.7
301.03494	1.5
301.06995	17.4
302.07330	1.3
303.04993	0.9
315.08463	1.1
325.07138	0.9
332.19366	0.6
343.08081	29.1
344.08463	2.3
361.09125	61.9
362.09390	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	361.0913
Annotation	Hyperxanthone B
Peak:m/z	Relative Intensity
50.11292	0.7
55.05495	1.3
59.04979	2.9
61.11398	0.6
61.89410	0.7
64.11958	0.7
65.03909	0.9
67.05484	2.7
67.19521	0.8
68.99777	3.0
69.03416	4.4
69.07045	2.6
70.06561	0.9
70.90075	1.6
70.90443	1.4
71.04977	2.2
79.05478	2.9
79.53763	0.7
81.07060	3.5
83.04961	1.1
84.08124	0.9
88.13628	0.7
91.05476	2.3
93.07027	3.5
93.33759	0.8
95.04954	2.1
95.08593	3.0
97.06516	1.0
99.04372	0.8
103.05441	1.5
105.03349	0.7
105.07011	4.5
106.67977	0.7
107.08569	3.5
109.02840	0.8
109.06503	2.5
109.10136	3.1
113.06004	1.6
117.07000	2.0
119.08550	2.0
121.06505	1.9
121.10114	5.9
123.04440	1.6
123.08057	2.3
123.11699	3.0
127.03880	0.9
129.06978	1.1
131.04886	1.0
133.06468	1.5
133.10135	3.9
135.08034	1.2
135.11678	2.6
139.03870	2.2
144.93584	0.7
145.06445	2.4
145.10098	1.5
147.08049	1.0
147.11667	1.3
149.05998	2.1
151.03864	0.9
151.07529	2.9
153.05328	0.7
155.03419	0.9
155.04810	0.9
157.10071	0.9
158.07175	0.7
159.11681	1.1
161.05980	2.4
163.03947	0.8
163.07550	1.0
163.11206	1.5
167.07039	1.0
167.08499	0.9
169.04984	1.5
169.08667	0.8
173.05989	1.6
173.09573	1.5
174.06738	1.1
175.07541	3.2
175.11163	2.5
177.01791	2.0
177.09106	1.0
179.07028	3.6
181.08627	0.8
183.04297	0.9
187.03828	2.6
189.05461	0.9
189.09036	2.6
191.06978	1.3
193.08669	1.4
197.07976	0.9
200.04628	1.2
201.05435	4.5
203.03517	1.2
203.07034	2.4
205.08620	3.1
213.05429	0.8
215.03369	2.6
215.10538	0.8
216.04120	2.9
216.43434	0.7
217.04979	5.1
221.08038	8.1
223.09592	2.4
228.04189	0.9
229.04921	8.6
231.02855	1.4
231.13797	1.9
235.07603	1.1
237.05446	3.1
239.03398	1.7
239.06969	1.1
239.09100	16.2
240.19623	1.0
241.04962	1.3
243.02899	4.2
245.04425	11.0
246.04967	0.8
251.07033	1.1
253.08620	1.2
255.06462	1.1
255.13791	0.8
256.03610	1.9
257.04391	17.0
258.05219	5.9
259.02490	0.8
260.03159	4.6
261.03934	3.0
263.07080	0.9
265.04993	2.7
266.05746	4.1
269.04401	5.3
271.02475	1.3
272.03143	4.0
273.03885	24.1
273.14832	1.7
273.60263	0.9
274.04617	5.6
279.06375	1.5
281.08032	12.4
282.05219	1.2
282.08237	0.9
283.06018	3.0
283.13474	0.8
285.03906	100.0
286.04483	11.5
287.01816	2.0
287.05331	2.7
289.03400	4.4
292.96704	0.7
294.02158	0.8
294.05066	3.6
297.03934	2.2
297.07367	1.4
297.18506	1.0
298.04599	0.9
298.08310	1.3
299.09042	0.9
301.03415	3.3
301.07047	5.7
303.04770	3.7
307.16675	0.7
309.07526	17.6
310.07910	1.5
311.05429	3.4
312.06213	2.4
315.08624	2.2
315.19458	2.9
325.06992	2.6
325.17947	3.5
327.08591	52.0
328.08914	2.9
329.06369	3.9
343.08072	8.9
343.11850	1.1
343.18948	11.4
343.22620	0.8
344.08350	1.2
360.57834	1.7
360.91315	1.0
361.09140	15.6
361.15939	1.5
361.20053	13.0
361.24149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0912
Annotation	Dibefurin
Peak:m/z	Relative Intensity
55.05454	0.4
57.03387	0.7
59.04995	20.3
59.05280	0.6
61.02901	0.6
65.42159	0.4
68.99784	0.4
69.03401	0.8
69.07022	0.4
69.52686	4.2
70.06544	0.4
71.04969	0.9
79.05448	1.0
81.07016	1.1
83.04937	0.4
85.02914	1.8
85.06487	0.8
86.09679	0.4
91.05460	0.9
93.07037	3.0
95.04922	0.4
95.08566	0.8
96.70772	0.4
97.02846	0.5
105.06985	0.9
107.08562	0.8
109.06448	0.7
111.07994	0.4
117.07078	0.4
119.04900	0.6
119.08542	1.4
121.06485	0.7
121.10132	5.1
123.04395	1.7
123.08027	1.2
123.11652	0.4
124.04697	0.5
125.95473	0.4
127.07519	0.4
133.10275	0.4
135.07976	0.5
135.11682	0.7
137.05934	0.4
139.07518	0.5
139.11172	2.7
145.10139	2.5
147.04384	0.6
163.07516	1.2
163.11174	8.0
166.95062	0.4
174.06305	0.5
179.07054	0.7
181.12218	13.3
187.03885	4.6
191.07008	2.1
191.08693	0.6
192.07356	2.4
199.13271	14.0
199.15115	0.7
201.05400	0.4
203.03369	0.7
205.08507	0.5
207.06726	0.4
208.09648	3.4
209.10001	3.7
215.03403	2.4
217.04927	0.8
229.04944	3.3
231.02992	0.5
239.03293	0.4
243.02866	7.0
245.04448	1.5
256.03598	0.5
257.04443	6.5
259.02325	0.7
260.03070	1.4
261.03912	8.9
271.02475	0.7
271.05737	0.4
273.03915	5.7
274.04608	0.5
285.03906	100.0
286.04239	3.7
287.01874	4.7
289.03397	26.0
290.03668	0.8
301.03418	1.7
301.07056	6.6
303.04895	3.4
315.08450	0.8
325.06995	1.6
343.08078	21.5
343.18872	0.6
344.08334	1.3
361.09152	56.5
361.14267	3.9
362.09491	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	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01853	1.4
57.03407	1.5
58.46670	0.4
59.05001	3.3
60.04501	0.7
61.02900	0.8
67.05470	0.6
68.99763	1.3
69.03400	1.9
70.06589	3.9
71.04976	0.6
71.80949	0.7
77.03934	0.5
79.05454	1.4
81.03396	0.6
81.07026	1.6
83.01319	0.8
84.04470	0.7
85.02438	0.5
85.02897	3.9
90.24126	0.4
91.05463	1.5
93.07001	1.1
95.04959	2.4
95.08580	0.8
97.02872	1.1
105.07006	1.9
106.59798	0.4
107.04932	1.7
107.08570	2.8
108.08893	1.5
109.06530	0.5
112.81178	0.5
115.05441	0.9
115.34499	0.4
117.07008	2.6
119.04916	1.9
119.08587	0.6
121.02842	0.7
121.06486	2.7
121.10107	0.8
123.04418	28.9
124.04755	0.8
127.03912	1.0
133.10089	0.7
134.10457	0.8
135.04355	2.3
135.08049	3.0
135.11615	0.8
136.07561	2.3
136.12048	0.8
137.05937	1.5
138.09116	0.5
145.04913	1.0
145.06448	2.4
147.04376	7.6
149.05951	1.9
151.03842	1.5
153.01758	0.5
161.05917	1.9
163.03903	2.2
163.07523	16.4
163.11121	0.9
165.05473	3.8
167.06918	0.5
173.05951	5.4
175.07515	0.9
179.07030	4.7
179.10594	0.8
180.11038	1.1
181.08609	1.7
181.12173	2.3
185.05910	0.8
187.03941	0.8
187.07513	0.6
188.07024	0.7
189.05472	0.6
190.08627	10.5
191.07014	55.6
192.07356	2.5
197.11716	3.3
198.12201	3.9
199.13321	2.3
203.06987	2.8
208.09668	100.0
209.10031	3.8
215.03357	0.4
220.09760	1.6
229.04988	0.5
243.02885	1.5
257.04489	1.3
261.03934	1.8
271.09235	0.5
273.03973	1.3
284.03070	0.5
285.03897	18.8
287.01913	1.0
289.03445	4.2
301.03610	0.5
301.06952	1.3
303.04904	0.7
325.07156	0.6
325.10629	4.3
342.06860	1.2
342.13330	4.1
343.08044	4.5
343.11914	2.1
360.14371	37.2
361.04791	0.8
361.09116	13.4
361.14572	3.0
384.97565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45260	3.0
53.03923	3.5
55.01854	4.2
55.05505	35.3
57.03422	6.1
57.07060	8.4
59.04986	7.2
65.03923	3.0
67.05499	65.5
69.03418	11.1
69.07057	41.3
71.04982	100.0
71.09740	5.8
71.10117	5.2
71.11243	2.3
73.06536	7.2
79.05479	63.8
81.03407	3.9
81.06603	4.4
81.07042	57.4
83.04968	6.5
83.08608	20.9
85.02896	7.5
85.06529	9.9
87.08079	3.7
91.05462	23.6
93.07030	79.2
95.04933	8.8
95.08006	3.8
95.08592	45.5
97.02861	2.8
97.06520	15.8
97.10161	24.1
103.05418	3.6
105.07018	24.8
107.04972	3.2
107.08572	54.6
108.08920	4.1
109.06485	4.8
109.10139	48.7
111.08067	8.6
113.06023	3.2
117.07002	8.3
119.08576	21.6
121.06491	8.6
121.10126	68.1
123.08040	6.9
123.11691	10.6
125.09612	22.6
127.03913	3.5
129.07027	3.2
131.08556	8.6
133.10109	21.9
135.08032	7.6
135.11679	18.9
137.09604	8.1
145.04977	3.6
145.10088	11.4
147.07962	3.1
147.11633	10.7
149.09601	11.9
149.13205	8.5
151.01056	2.7
153.05443	4.8
153.12723	36.6
155.10634	9.3
157.10078	4.6
159.11649	13.4
161.13266	5.6
163.07498	2.9
163.11159	8.9
165.05449	2.9
167.07028	3.1
171.11578	4.4
173.09566	3.4
173.11729	81.0
173.13121	5.5
174.12123	3.2
177.09087	3.1
177.12750	9.2
179.07036	3.4
189.11168	28.1
191.07083	4.6
192.17906	2.8
195.13768	9.5
197.13350	3.0
205.08542	13.0
209.08090	3.7
209.15300	4.1
219.10144	5.2
220.10390	4.3
221.07996	5.2
223.09625	14.3
227.16376	61.5
229.04959	2.8
237.11063	3.0
238.11469	7.9
239.09097	3.9
239.17990	3.2
257.16458	2.9
257.19000	10.3
261.03940	6.3
273.14706	3.2
275.19998	65.4
276.12869	3.0
276.20334	3.9
285.03918	23.7
287.01953	4.1
289.03326	10.1
293.21210	4.6
303.05161	3.9
304.05331	12.7
307.22598	10.0
315.19534	3.3
325.17993	5.1
340.15253	3.1
343.07907	5.0
343.18896	23.9
345.29654	3.0
360.11526	15.8
360.18655	4.4
360.22589	15.2
361.08981	22.8
361.19754	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.7
65.03951	0.7
69.03422	1.0
69.82114	4.2
81.03436	0.6
83.58887	0.5
85.02888	3.8
89.76677	0.5
97.02886	1.5
116.41162	0.6
121.02880	2.0
127.03986	0.5
133.02832	2.4
135.04430	2.0
145.04944	0.9
145.89253	0.6
149.02328	100.0
150.02705	3.0
163.03891	70.1
164.04225	2.2
167.03412	1.2
180.08603	0.9
181.04948	38.1
182.05247	1.4
340.42389	0.6
361.08841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.5
53.03928	1.8
55.01855	4.3
55.05508	27.9
57.03199	1.6
57.03433	20.2
57.07069	3.3
58.36394	1.4
59.05006	1.5
65.03930	2.5
67.05494	43.6
68.05839	1.5
69.03411	3.6
69.07062	28.3
71.04974	4.7
71.81189	1.2
73.02899	1.5
75.04465	2.2
75.97527	1.3
76.25343	1.2
77.83669	1.2
79.05480	38.2
81.03394	2.6
81.07044	47.8
83.04965	5.6
83.08608	22.6
85.02894	5.0
85.06525	4.3
88.70442	1.3
91.04922	2.8
91.05469	42.4
93.07034	53.9
95.04956	9.3
95.08591	36.5
97.02905	1.6
97.06511	12.9
97.10149	11.4
99.08079	3.9
103.03949	1.4
105.07010	25.7
107.04947	2.3
107.08585	34.5
108.68215	1.2
109.06519	6.3
109.10146	18.4
111.04446	2.5
111.08068	10.0
111.11735	1.8
113.05946	1.7
115.05392	1.8
117.07016	5.1
119.08575	26.8
121.02863	4.0
121.06490	2.6
121.10130	57.7
123.04412	2.4
123.08041	10.7
123.11695	6.9
125.06004	1.4
125.09623	6.0
127.03929	1.6
128.06218	1.9
129.05478	1.7
129.06966	3.6
131.04842	1.7
131.08551	15.5
132.29720	1.2
133.10107	32.4
135.07999	8.9
135.11673	22.6
137.05972	3.5
137.09604	21.3
137.13242	1.6
139.07475	1.8
139.11119	3.8
141.06908	1.6
143.08568	3.0
145.10103	9.6
147.04413	2.1
147.08051	2.3
147.11673	22.6
149.05994	1.7
149.09581	11.4
149.13228	3.4
151.03889	5.6
151.11176	11.6
153.05487	3.6
153.06848	1.5
153.09084	4.2
157.10100	2.7
158.07277	1.4
159.08038	2.5
159.11703	2.0
161.05907	1.7
161.13268	2.9
163.07533	2.2
163.11177	2.8
165.05502	1.5
165.07077	2.1
165.12761	3.7
167.07077	3.2
167.08464	2.1
167.10661	4.4
169.04907	2.2
171.04466	1.4
171.11676	5.5
173.06027	1.8
173.09605	4.6
175.07562	2.6
175.11200	2.0
179.08478	1.8
181.05017	2.4
185.06007	2.4
185.13167	1.5
186.06740	3.5
187.03854	1.7
187.07472	2.2
187.14883	1.9
189.16368	2.1
195.08017	4.9
197.06073	1.7
197.08009	1.6
197.15500	1.5
199.03830	2.1
199.07549	1.4
201.09009	2.6
203.14275	1.6
203.17935	5.2
207.10143	2.9
207.50810	1.3
209.09770	1.8
212.08392	1.6
213.09174	1.7
213.16360	15.7
214.06250	6.7
218.37273	1.4
219.10172	7.0
221.19048	4.0
223.07474	3.4
225.05342	1.3
225.09096	2.1
227.06987	3.4
227.10635	6.4
231.17406	14.7
237.11115	10.3
238.06215	1.5
240.07771	3.3
244.03633	4.7
245.04417	2.0
249.09154	1.6
249.18480	100.0
250.18846	5.7
253.08562	6.7
255.06459	2.2
255.10135	15.4
256.10471	1.6
257.04242	6.6
257.08258	1.9
259.02267	2.2
266.09152	1.6
267.19574	6.3
268.07318	1.6
269.04416	2.3
269.07999	3.0
271.02225	1.8
271.13281	1.7
271.49445	1.5
273.03827	2.1
273.11130	2.5
281.04736	1.6
281.08035	1.8
281.11465	2.7
283.09552	2.6
284.10370	1.5
285.03848	9.7
285.20538	2.2
287.02258	1.2
287.05453	27.6
288.05746	2.3
289.14206	2.3
295.05930	1.6
297.07584	2.1
299.05457	2.6
299.09042	2.4
299.12616	2.2
300.10104	2.4
303.08655	1.9
309.11295	2.7
312.06232	2.7
313.07172	3.0
313.10635	11.6
313.14340	7.5
323.05188	1.5
323.22156	21.3
327.08701	2.7
327.12265	12.4
331.15359	3.7
341.06818	8.2
341.10187	3.2
341.13943	8.7
341.23230	60.3
342.14157	1.8
342.23538	2.6
359.07556	22.0
359.11215	5.0
359.14948	21.2
359.24460	64.9
360.07785	2.7
360.15005	2.2
360.24387	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	359.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13968	0.2
53.03917	0.4
55.01855	0.3
55.05504	0.9
57.03427	3.0
57.07071	1.2
65.03919	0.3
67.05490	1.1
69.03401	0.5
69.07060	1.0
71.04958	0.3
71.06336	0.5
76.41840	0.1
77.03917	0.1
78.64278	0.2
79.05090	0.2
79.05480	2.3
81.07057	1.9
83.00846	0.3
83.01323	4.1
83.04929	0.4
85.02866	0.4
85.06536	1.1
91.04919	0.2
91.05464	3.5
93.07031	10.5
94.07342	0.3
95.04952	0.7
95.08560	0.6
105.07007	1.9
107.04954	0.2
107.08578	14.5
108.08882	0.4
109.02861	0.3
109.06507	1.1
109.10133	1.5
111.04424	0.4
112.11346	0.1
117.07008	0.9
119.04896	0.3
119.06071	0.2
119.08581	1.0
121.06495	1.2
121.10120	0.8
123.04361	0.3
123.08039	0.2
123.11675	2.0
127.07500	0.6
129.06978	0.4
130.07761	0.5
131.08556	1.6
133.06441	0.3
133.10072	0.6
133.38297	0.2
135.07034	0.3
135.08037	5.8
135.11668	17.1
136.08334	0.2
136.11971	0.7
137.05936	0.7
137.09509	0.3
139.03865	1.2
141.05444	0.3
143.08543	0.3
145.06421	0.5
145.10112	2.5
147.04378	0.2
147.08038	0.3
149.05956	1.7
149.09592	2.3
153.05467	2.8
153.06738	0.2
155.08508	0.9
158.07251	0.5
159.07993	0.7
159.21014	0.1
161.05923	1.0
162.06752	1.6
163.07527	4.9
163.11157	2.0
164.07811	0.2
165.05469	1.3
173.09596	3.1
174.10085	0.2
175.07526	0.5
176.08298	2.1
177.05502	1.7
177.09087	11.7
178.09413	0.8
179.10596	0.2
181.04909	0.2
181.08588	0.4
186.06775	0.2
189.09087	0.3
190.06200	0.9
191.06967	0.8
191.10640	7.3
192.10941	0.3
201.09076	4.0
202.09380	0.3
203.07104	0.2
203.10574	0.2
204.07779	1.8
205.08530	0.3
207.10110	0.8
219.10132	63.5
220.10477	3.2
225.11179	5.5
226.11613	0.3
233.11676	0.8
237.11176	100.0
238.11511	4.9
251.12770	1.0
257.11679	0.8
259.13397	0.2
275.12753	0.6
275.16156	0.4
285.14740	0.4
303.15829	0.7
341.21063	2.6
342.21347	0.2
359.22110	19.6
360.22464	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	359.2214
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
51.14201	0.2
53.03929	0.3
55.01864	0.4
55.05499	2.0
57.03204	0.2
57.03425	2.7
57.07064	4.1
60.33127	0.2
65.03929	0.5
67.05493	4.3
67.53154	0.2
69.03416	1.5
69.07066	2.4
69.57632	0.2
70.17232	0.6
70.17648	0.6
71.04950	0.6
77.03914	0.4
79.05478	3.5
81.07045	7.2
83.00856	0.3
83.01327	4.5
83.04942	0.9
83.08591	0.6
85.02873	0.6
85.06522	3.1
91.05462	4.1
91.21620	0.2
93.07030	16.2
93.82088	0.2
94.07346	0.2
95.04951	1.5
95.08580	2.4
96.08909	0.2
97.06545	0.3
97.10097	0.2
99.88758	0.2
103.05452	0.3
105.03367	0.2
105.06422	0.2
105.07021	2.6
107.04870	0.3
107.08578	11.5
109.06508	2.5
109.10139	5.2
110.10491	0.2
111.04371	0.2
115.05430	0.2
117.06956	1.0
117.07717	0.2
119.04847	0.4
119.08549	1.8
121.06482	3.7
121.10129	2.3
123.04387	0.3
123.08028	0.8
123.11691	5.2
124.12009	0.6
125.05974	0.4
127.07542	3.2
128.06151	0.2
129.06978	0.5
131.08522	1.4
133.06462	0.6
133.10104	1.0
135.04405	0.4
135.07053	0.3
135.08047	4.7
135.11673	13.7
136.11986	0.7
137.05925	1.9
137.09587	0.4
139.03857	1.2
139.07570	0.2
141.05473	0.5
141.06956	0.2
142.07645	0.3
143.08499	0.6
145.06447	0.6
145.10101	2.8
147.08028	0.6
149.05963	1.8
149.09586	3.2
150.06754	0.3
151.07509	0.7
153.05473	2.5
155.08514	1.1
157.10048	0.4
158.07222	0.4
159.08051	1.5
159.11624	1.0
161.05977	1.2
161.09544	0.2
162.06729	1.0
163.03865	0.6
163.07526	7.0
163.11145	1.7
164.07831	0.3
165.05458	4.1
165.09042	1.0
166.05794	1.7
167.05782	1.2
167.07047	0.8
169.04915	0.3
169.10106	0.3
171.08066	0.3
172.08742	0.3
173.05968	0.3
173.09593	3.5
174.10205	0.3
175.07509	1.6
176.08310	2.7
177.05472	5.0
177.09082	12.1
177.12683	1.9
178.06184	0.5
178.09438	0.4
179.03300	0.6
179.06989	0.9
179.10641	0.6
181.04930	0.6
181.08575	1.0
186.06779	0.4
187.07500	0.7
187.11130	1.3
189.09094	1.4
190.06216	0.9
190.09872	0.9
191.07001	4.3
191.10635	8.7
192.07562	0.4
192.10941	0.4
193.08533	0.6
195.06482	0.6
195.10094	1.2
197.09550	0.4
199.07588	0.4
201.05429	0.2
201.09088	4.4
201.12738	0.7
203.07019	1.3
203.10632	0.7
204.07797	4.0
205.04831	0.3
205.08574	6.5
205.12177	3.6
206.09326	2.4
207.10139	3.0
208.14954	0.2
209.11659	0.3
211.11101	0.2
213.09105	0.6
213.12651	0.2
214.09700	0.5
215.07022	0.7
215.10634	2.7
215.14211	0.3
216.07803	0.2
217.08543	0.5
217.12175	0.5
218.09306	0.7
219.06557	3.4
219.10129	54.9
220.10492	2.9
221.11566	0.3
223.09573	0.4
225.09044	0.3
225.11145	4.6
227.10747	0.5
228.07726	1.1
229.08582	1.2
229.12245	1.6
230.09296	0.4
231.10139	0.8
232.10811	0.4
233.11694	20.6
234.12093	1.4
236.09883	0.3
237.11177	59.2
238.11517	3.0
239.10641	0.4
241.08531	0.6
242.09427	1.2
243.10185	2.0
243.13774	1.1
244.10867	0.4
245.11685	0.7
247.09586	0.3
247.13280	0.8
251.12749	26.3
252.13091	1.3
255.10146	0.4
256.10928	0.8
257.11694	9.5
257.15335	1.1
258.12109	0.6
259.13235	0.9
261.11276	0.6
261.14816	0.4
263.12686	0.5
267.13629	0.5
269.11697	0.6
270.12387	0.4
271.13309	0.8
273.14697	0.3
275.12775	17.6
275.16272	2.6
276.13153	1.0
277.14221	0.8
279.15909	1.1
283.13339	0.3
285.11606	0.4
285.14816	8.0
288.16730	0.7
289.14188	1.0
289.17041	2.2
291.15939	0.4
298.15433	0.3
299.16428	0.6
303.15866	19.8
304.16306	1.4
311.16055	0.3
317.17401	0.4
341.21054	14.9
342.21371	1.3
359.22107	100.0
360.22455	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	359.2213
Annotation	Myrsinoic acid B
Peak:m/z	Relative Intensity
53.03939	0.1
54.16853	0.1
55.01849	0.4
55.05502	1.0
57.03429	3.4
57.06792	0.1
57.07068	2.1
63.76382	0.1
65.03934	0.2
67.05183	0.1
67.05497	1.6
69.03424	0.6
69.06750	0.1
69.07059	1.7
70.09737	0.5
71.04980	0.2
77.03905	0.2
79.05078	0.1
79.05483	1.7
81.07045	3.7
83.01324	4.3
83.04953	0.3
83.08567	0.2
85.02875	0.4
85.06538	0.9
91.04922	0.1
91.05468	2.6
93.07033	6.7
95.04964	0.6
95.08598	1.3
97.06498	0.1
97.10141	0.1
98.20759	0.1
103.05472	0.1
105.07009	2.0
107.04922	0.3
107.08581	9.0
108.08897	0.2
109.02831	0.2
109.06505	1.2
109.10139	2.4
111.04410	0.5
111.05092	0.1
111.11678	0.2
111.56165	0.1
115.05488	0.2
117.06414	0.1
117.07015	1.0
119.04873	0.1
119.06075	0.1
119.08553	1.0
121.06488	1.3
121.10133	1.0
123.04410	0.2
123.08052	0.3
123.11691	10.2
124.11996	0.3
125.05970	0.2
127.07523	0.4
129.06985	0.4
130.07759	0.4
131.08554	1.2
133.06454	0.3
133.10141	0.6
135.04445	0.2
135.08041	6.8
135.11673	11.4
136.08368	0.1
136.11989	0.3
137.05885	0.6
137.09576	0.5
139.03874	1.1
141.05385	0.2
141.06976	0.1
142.07767	0.3
143.08498	0.4
144.05675	0.2
145.06462	0.5
145.10100	3.3
146.10405	0.1
147.04335	0.2
147.08006	0.4
147.11705	0.2
148.08844	0.2
149.05965	1.7
149.09604	2.5
151.07483	0.1
151.11168	0.1
153.04221	0.2
153.05452	3.6
153.06773	0.2
155.08540	1.1
158.07231	0.9
159.08067	1.0
159.11595	0.1
160.08745	0.2
161.05957	1.2
162.06731	1.8
163.03860	0.4
163.07524	5.1
163.11163	2.2
164.07816	0.2
165.05453	1.5
165.09077	0.3
166.45886	0.1
173.05902	0.1
173.09598	3.5
174.06645	0.1
174.09938	0.1
175.07545	0.5
175.11111	0.3
176.08301	2.2
177.05550	1.6
177.09087	13.1
177.12514	0.3
178.06161	0.1
178.09377	0.5
179.03355	0.1
179.06952	0.1
179.10652	0.2
181.04935	0.2
181.08582	0.5
181.09949	0.1
183.07983	0.3
186.06740	0.2
187.07513	0.2
189.09097	0.3
190.06247	1.0
191.07045	1.1
191.10648	7.9
192.11015	0.3
195.10191	0.2
197.09592	0.2
201.09096	4.8
202.09381	0.2
203.06911	0.3
203.10657	0.6
204.07785	1.6
205.08533	0.5
205.12190	0.1
206.09369	0.2
207.10150	1.0
215.07062	0.1
215.10663	0.4
217.08476	0.3
217.12213	0.1
219.10135	74.8
220.10474	3.0
221.11597	0.3
225.11174	2.9
228.07747	0.3
229.08522	0.2
229.12109	0.2
231.10196	0.3
233.11696	1.0
237.11182	100.0
238.11514	4.0
238.13945	0.2
239.10664	0.2
241.08463	0.1
242.09320	0.3
243.10159	1.3
243.13846	0.2
245.11772	0.3
249.11214	0.3
251.12787	0.9
255.10074	0.1
257.11697	2.6
257.15509	0.2
259.09583	0.1
259.13315	0.3
261.11176	0.6
263.12610	0.1
267.13647	0.2
270.12399	0.1
271.13199	0.2
273.14813	0.1
275.12759	1.4
275.16376	1.5
277.14355	0.3
278.94843	0.1
279.15814	0.1
283.13205	0.1
285.14838	1.0
303.15875	1.1
323.19882	0.2
341.16898	0.2
341.21072	4.2
342.21371	0.2
359.22119	29.5
360.22409	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2213
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
53.03915	0.7
55.01861	0.6
55.05503	2.5
57.03429	4.8
57.07066	5.4
65.03915	0.8
65.25717	0.3
67.05497	5.6
69.03426	1.6
69.07054	3.4
71.01392	1.1
71.04969	0.7
71.08601	0.7
77.03918	0.4
79.05098	0.4
79.05482	4.9
81.07044	9.6
83.00856	0.5
83.01326	7.2
83.04939	1.3
83.08583	1.1
85.02863	0.4
85.06527	3.9
91.05460	5.1
93.07027	16.8
95.04964	1.7
95.08587	3.7
95.51300	0.3
97.06465	0.4
97.10154	0.4
98.22472	0.3
99.08008	0.3
103.05438	0.4
105.06354	0.6
105.07014	10.0
107.04932	1.5
107.08576	13.7
108.08935	0.3
109.02859	0.7
109.05961	0.3
109.06496	3.1
109.10139	5.8
109.97448	0.3
111.04398	0.7
117.07002	1.5
119.04895	0.4
119.08569	2.2
121.06496	4.3
121.10138	3.5
122.09626	1.3
122.10911	0.7
123.04395	0.5
123.08015	0.6
123.11686	8.7
127.03836	0.4
127.07536	4.0
129.06984	0.7
130.07703	0.8
131.08562	2.3
133.06508	0.7
133.10091	1.4
135.04373	3.0
135.08028	7.1
135.11670	14.6
136.12077	0.4
137.05945	2.3
137.09590	0.7
139.03851	1.3
141.05420	0.6
143.08539	0.3
144.09306	0.4
145.06395	0.8
145.10101	3.9
147.04401	0.5
147.07985	1.1
147.11674	0.5
149.05975	2.6
149.09605	4.5
150.06667	0.4
151.03835	0.8
151.07481	0.8
151.98480	0.4
153.05449	2.5
153.08952	0.4
154.07703	0.4
155.08502	1.7
158.07211	1.0
159.08072	1.8
159.11684	0.8
161.05937	2.3
161.09592	0.8
162.06779	2.3
163.03885	7.7
163.07524	10.5
163.11142	3.1
164.04181	0.3
165.05429	3.4
165.09076	1.2
167.07007	1.6
169.04922	1.2
169.10103	0.7
173.05971	0.5
173.09581	4.9
174.06766	0.5
175.07535	1.8
175.11086	0.6
176.08286	3.9
177.05486	5.0
177.09085	15.7
177.12686	1.8
178.09346	0.8
179.07071	0.6
179.10646	0.6
181.04955	6.0
181.06487	0.7
181.08466	0.8
183.08037	0.8
183.10059	0.4
186.06720	0.5
187.07465	0.9
187.11140	1.6
189.09035	1.5
190.06172	1.1
190.09814	1.1
191.07011	5.4
191.10640	12.7
192.10933	0.6
193.04919	0.4
195.06500	1.2
195.10083	1.3
199.07510	0.4
200.08266	0.7
201.05464	0.4
201.09053	5.5
201.12793	0.4
202.09576	0.4
203.07024	1.3
203.10570	0.9
204.07794	4.5
205.08565	6.7
205.12201	4.5
206.09317	3.0
207.10107	3.8
209.11702	0.7
213.09053	0.6
214.09904	0.4
215.07002	0.9
215.10626	3.5
215.14133	0.4
217.08556	1.4
217.12097	0.4
218.09320	0.9
219.10132	83.4
220.10442	3.1
221.11664	1.3
222.38715	0.3
225.11150	4.8
227.10748	0.4
228.07796	0.8
228.11388	0.5
229.08525	1.3
229.12137	1.6
230.09132	0.5
231.10152	0.7
231.13763	0.4
233.11679	26.4
234.12076	1.1
235.09608	0.7
237.11179	70.1
238.11575	2.5
242.09314	0.8
243.10127	2.4
243.13680	1.1
244.10924	0.4
245.11620	0.5
247.09703	0.6
247.13292	0.6
251.12752	29.6
252.13107	1.2
255.10179	0.6
256.10870	0.8
257.11661	7.0
257.15271	1.0
258.12186	0.4
259.13339	1.5
261.11154	0.5
261.14883	0.6
263.12756	0.5
265.14227	0.6
267.13718	1.1
269.11685	0.5
271.13239	1.2
273.14725	0.5
275.12735	13.1
275.16098	0.9
276.13043	0.9
277.14362	0.6
279.15784	0.7
283.13068	0.4
285.11639	0.5
285.14825	11.4
286.15186	0.6
289.14288	3.1
297.14859	0.3
299.16345	0.6
303.15869	22.0
304.16217	0.9
317.17218	0.4
341.17657	0.6
341.21060	16.2
342.21472	0.9
359.22119	100.0
360.22437	5.8
360.32458	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2211
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
53.03928	0.5
55.01847	0.4
55.05499	1.9
57.03162	0.3
57.03421	2.6
57.07069	3.6
65.03910	0.3
67.05196	0.2
67.05491	2.8
69.03401	0.8
69.07059	2.0
69.64773	1.4
69.65200	0.9
70.77322	0.3
79.05090	0.3
79.05484	3.2
81.06613	0.3
81.07042	5.1
83.01331	4.1
83.04943	1.0
83.08572	0.4
85.02873	0.2
85.06525	2.5
91.05463	3.5
93.07029	12.7
95.04929	0.9
95.08579	1.5
97.10147	0.3
105.07020	1.9
107.04916	0.4
107.08575	9.5
108.08907	0.4
109.06488	2.2
109.10146	4.1
117.06970	1.1
119.04924	0.6
119.08556	1.7
121.06480	3.2
121.10100	1.1
123.04423	0.3
123.08038	0.6
123.11692	7.5
127.03959	0.3
127.07534	1.9
129.06964	0.5
130.07693	0.5
131.08549	1.4
133.06461	0.4
133.10106	0.6
135.04379	0.4
135.07045	0.3
135.08049	4.1
135.11670	13.4
136.11996	0.4
137.05927	1.0
137.09595	0.5
139.03882	1.5
141.05365	0.3
143.08549	0.3
145.06419	0.5
145.10097	3.3
147.08014	0.8
149.05949	1.8
149.09586	2.5
149.34863	0.3
151.07466	0.5
153.05431	2.7
153.09059	0.3
155.08524	0.9
157.10071	0.3
158.07202	0.8
159.07997	1.1
159.11705	0.3
161.05960	0.9
161.09607	0.4
162.06723	1.4
163.03874	0.3
163.07518	5.7
163.11116	1.8
163.80203	0.3
165.05472	1.2
165.09106	0.7
167.06979	0.6
169.04938	0.6
169.10114	0.3
173.09576	3.7
174.06711	0.4
175.07541	1.2
175.11139	0.3
176.04480	0.2
176.08304	1.8
177.05455	8.4
177.09088	12.0
177.12679	0.6
178.05917	0.4
178.09439	0.4
179.03336	0.5
179.07011	0.4
179.10664	0.5
181.04906	0.7
181.08569	0.7
185.09514	0.2
187.07506	1.3
187.11168	0.6
188.08250	0.3
189.05338	0.3
189.09041	0.9
190.06209	0.8
190.09846	0.6
191.07033	4.1
191.08810	0.4
191.10641	7.3
192.07751	0.6
195.06456	0.7
195.10149	1.2
197.09671	0.3
199.07565	0.4
201.09067	5.0
201.12669	0.4
202.09694	0.3
203.06995	1.1
203.10652	0.8
204.07774	3.9
205.08562	4.2
205.12169	1.2
206.09366	1.8
207.10130	1.9
209.11681	0.3
211.11060	0.3
213.09129	0.6
214.09825	0.5
215.07013	0.9
215.10652	2.9
217.08528	0.5
218.09201	0.4
219.06537	5.3
219.10129	66.3
220.10443	3.4
225.09035	0.3
225.11177	4.4
228.07860	1.3
229.08575	0.5
229.12173	1.7
231.10205	0.6
232.10861	0.5
233.11688	10.4
234.12035	0.6
235.09518	1.6
237.11176	100.0
238.11546	4.2
239.10649	1.1
241.08653	0.4
242.09346	1.6
243.10117	1.6
243.13853	0.4
244.10637	0.3
245.11768	0.6
246.08865	0.7
247.13199	0.9
251.12749	14.2
252.13084	0.8
255.10158	0.4
256.10849	0.3
257.11682	12.1
258.12146	0.7
259.13245	0.7
261.11246	0.5
261.15036	0.3
263.12759	0.5
265.14365	0.4
269.11700	0.5
270.12482	0.4
271.13330	0.9
273.14685	0.4
275.12762	17.1
275.16229	1.6
276.13080	1.0
277.14310	0.6
279.15915	0.6
285.14813	3.7
289.14346	0.7
298.15643	0.3
299.16425	0.4
303.15854	10.8
304.16245	0.7
317.17422	0.4
341.16895	0.5
341.21069	9.5
342.21387	0.7
359.22113	87.8
360.22476	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	359.2212
Annotation	Canrenoate
Peak:m/z	Relative Intensity
53.03942	0.7
55.05496	1.0
57.03423	1.2
57.07067	6.1
65.91087	0.5
67.05504	3.6
69.07059	3.9
69.71449	5.3
71.83189	0.6
79.05477	3.3
80.28279	0.6
81.07047	22.7
83.01331	1.7
85.06520	1.4
91.05457	2.1
93.07034	4.6
95.04971	0.9
95.08592	4.3
105.07009	1.6
107.08575	8.7
109.06479	0.7
109.10141	1.4
114.60069	0.6
119.08588	0.6
121.06499	1.5
121.10123	2.2
122.31372	0.6
123.11692	100.0
124.12021	2.9
124.12824	0.6
131.08565	0.7
135.04382	1.8
135.08022	2.8
135.11685	11.3
139.03865	0.8
145.10117	2.5
147.08023	0.6
149.05978	1.2
149.09621	1.4
153.05515	1.5
158.07205	0.7
162.06674	0.7
163.03883	5.3
163.07501	2.2
163.11188	1.4
165.05493	1.1
169.04869	0.7
173.09631	1.8
173.44525	0.6
176.08340	0.8
177.05479	8.6
177.09084	8.5
181.04944	3.0
190.72031	0.5
191.07071	0.9
191.10605	3.3
195.06523	0.7
201.09067	4.6
203.10570	0.6
204.07835	3.2
219.10139	61.7
220.10513	3.3
225.09233	0.6
225.11192	2.5
228.07782	0.6
233.11739	1.6
237.11186	98.0
238.11563	5.7
243.10161	3.9
244.10826	0.7
251.12737	1.6
257.11685	3.9
259.13293	0.8
261.11191	4.1
275.13251	3.6
275.16193	4.4
277.14417	1.2
285.14816	1.7
289.17108	0.7
299.16769	0.7
303.15869	3.0
308.74628	0.7
341.21124	2.6
359.22128	97.8
360.22491	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01872	0.3
55.05497	0.6
57.03434	0.5
57.07071	0.8
63.68771	0.1
65.03928	0.1
67.01877	0.1
67.05488	0.7
69.03417	0.3
69.07063	0.9
69.76066	0.3
69.76492	0.3
71.04969	0.2
79.05486	0.9
81.07049	1.6
83.01332	2.7
83.04961	0.3
85.02889	0.2
85.06548	0.4
91.05462	1.2
93.07034	3.9
95.04970	0.4
95.08597	1.1
98.21404	0.2
103.05433	0.1
105.07018	1.2
107.04931	0.2
107.08582	4.8
109.02904	0.1
109.06512	1.1
109.10149	1.2
111.04406	0.2
115.05431	0.1
117.07010	0.5
119.04926	0.2
119.08557	0.5
121.02840	0.1
121.06501	1.5
121.10121	0.4
123.04417	0.2
123.08051	0.1
123.11694	4.5
124.12004	0.1
127.03914	0.1
129.06998	0.1
130.07799	0.3
131.04915	0.2
131.08574	0.6
133.06447	0.1
133.10156	0.1
135.04387	0.2
135.08049	2.3
135.11676	6.9
136.11992	0.2
137.05975	0.4
137.09569	0.2
139.03914	0.8
140.08141	0.1
140.10245	0.1
141.05438	0.1
142.07784	0.1
143.08514	0.1
143.61057	0.1
145.06476	0.2
145.10114	2.2
146.10519	0.1
147.04382	0.1
147.08067	0.2
149.05959	1.6
149.09604	1.1
150.87134	0.1
153.05458	1.4
153.06758	0.1
154.60582	0.1
155.08525	0.7
158.07246	0.3
159.04390	0.2
159.07999	0.4
161.05917	0.5
162.06741	0.4
163.03886	0.2
163.07532	1.9
163.11180	0.9
165.05444	1.0
165.08966	0.1
167.07053	0.1
169.04964	0.3
173.09599	2.1
175.07489	0.3
175.11104	0.1
176.04688	0.2
176.08310	0.9
177.05466	10.3
177.09077	9.1
178.05893	0.4
178.09447	0.3
179.03366	0.2
179.06964	0.1
181.04950	0.8
181.08566	0.3
183.07956	0.1
186.06717	0.1
189.05389	0.3
189.09074	0.1
190.06223	0.2
191.07071	0.4
191.10666	2.4
192.10909	0.1
195.06488	0.8
201.09093	2.4
202.09607	0.1
203.07016	0.2
204.07803	3.7
205.08276	0.2
205.12125	0.1
207.10146	0.2
209.11626	0.1
215.10645	0.1
218.09264	0.1
219.10143	46.5
220.10481	1.7
221.11566	0.1
225.09180	0.1
225.11177	2.6
228.07770	0.1
233.11722	0.6
237.11188	100.0
238.11536	4.2
238.13988	0.2
242.09370	0.2
243.10112	0.3
249.11172	0.2
251.12753	1.0
257.11716	0.9
259.13251	0.1
261.11197	0.3
263.12900	0.1
275.12750	1.1
275.16354	0.4
277.14182	0.2
279.15695	0.1
285.14825	0.3
289.14218	0.1
303.15942	0.9
341.21103	0.6
359.22119	17.4
360.22452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2211
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
50.32781	0.2
53.03916	0.4
55.01852	0.5
55.05481	0.3
57.03411	0.3
57.07067	8.5
66.63785	0.2
67.05467	0.6
68.35916	0.2
69.07062	1.3
69.12037	0.2
71.52997	0.4
71.53359	0.2
79.05482	2.1
81.03396	0.2
81.07040	1.9
81.38313	0.2
83.01308	0.3
85.06512	0.4
86.04300	0.2
89.03914	0.2
90.88429	0.2
91.05454	0.9
93.07011	0.7
95.04931	0.5
95.08563	0.5
105.06987	0.6
107.04915	1.8
107.08591	0.9
109.02834	0.9
109.10130	0.8
115.05379	0.2
117.06998	0.3
119.08557	0.3
121.06360	0.2
121.10117	0.5
122.10899	0.5
123.11684	4.6
123.23815	0.2
124.11987	0.9
131.08543	0.4
133.06537	0.3
135.04393	8.5
135.08026	0.8
135.11693	1.1
137.02347	0.4
137.05971	0.3
139.03786	0.2
143.08559	0.2
145.06459	0.3
145.10127	0.4
147.08087	0.3
149.05934	0.3
149.09593	0.7
151.03854	1.9
155.08585	0.2
159.08089	0.3
161.05980	0.6
161.09579	0.3
163.03882	36.8
164.04231	1.3
165.05460	0.3
169.09889	0.2
173.05946	0.3
173.09608	0.5
175.03818	0.3
175.07494	0.7
176.07835	0.2
177.05475	4.2
177.09067	0.7
179.03354	0.2
181.04938	19.9
182.05234	0.7
187.07329	0.2
189.09096	1.0
190.09424	0.3
191.07033	0.4
191.10654	0.4
199.07474	0.5
201.09061	1.5
204.06430	0.4
207.10201	1.0
209.08133	0.2
217.08578	5.3
218.08873	1.8
219.10139	100.0
220.10472	4.9
220.12390	0.2
229.08704	0.3
231.10081	0.2
235.09599	3.7
236.09943	1.3
237.11296	4.2
243.10207	0.2
257.11749	0.2
267.13809	1.9
275.16382	39.8
276.16730	2.6
285.11667	0.3
285.14801	5.9
285.17828	0.4
286.15158	0.4
291.15881	0.6
303.15851	2.3
328.27078	0.2
341.21036	4.5
342.21472	0.4
359.22058	14.8
360.22543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01851	0.2
53.03934	0.2
55.01850	0.3
55.05488	0.6
57.03157	0.2
57.03427	2.9
57.07067	1.2
65.03914	0.2
67.05495	0.8
67.05782	0.2
69.03394	0.3
69.07061	0.8
70.36703	0.5
79.05485	1.1
81.06610	0.1
81.07047	1.9
83.01326	3.3
83.04942	0.2
85.02876	0.4
85.06527	0.5
91.05465	1.9
93.07033	4.3
95.04951	0.5
95.08599	0.8
98.20818	0.2
101.60809	0.1
105.07019	1.1
107.04923	0.3
107.08581	5.7
109.02852	0.2
109.06508	0.8
109.10139	1.3
111.04408	0.3
117.06981	0.8
117.39546	0.1
119.04862	0.1
119.08542	0.4
121.06484	0.9
121.10152	0.7
123.04403	0.2
123.11695	3.9
127.07509	0.2
129.06985	0.4
130.07745	0.4
131.08546	0.9
133.06441	0.2
133.10129	0.4
135.07027	0.3
135.08040	3.8
135.11674	8.4
137.05974	0.6
137.09538	0.2
139.03871	1.0
145.06480	0.3
145.10115	2.2
147.08005	0.2
149.05972	1.1
149.09595	2.0
153.05464	1.8
155.08507	0.8
158.07243	0.6
159.08043	0.6
159.11615	0.1
160.08688	0.2
161.05957	1.0
162.06746	1.6
163.06187	0.2
163.07521	3.9
163.11142	1.7
165.05460	1.1
169.64218	0.1
173.09592	2.5
175.07500	0.4
176.06920	0.2
176.08313	2.0
177.05534	1.2
177.09091	10.1
178.09415	0.3
179.10696	0.2
181.04890	0.1
181.08563	0.2
183.08029	0.2
186.06737	0.2
189.05492	0.2
189.09047	0.2
190.06244	0.9
191.06985	0.7
191.10637	6.3
192.10977	0.3
201.09081	3.6
203.10593	0.2
204.07820	1.3
205.08539	0.2
207.10126	0.7
219.10133	57.9
220.10466	2.0
225.11182	2.6
225.13271	0.2
228.07924	0.2
229.12137	0.3
231.10094	0.2
233.11687	0.4
237.11179	100.0
238.11525	4.7
242.09500	0.2
243.10075	0.4
244.10553	0.2
251.12701	0.7
255.10080	0.2
257.11630	1.1
259.13141	0.2
261.11227	0.3
275.12808	0.6
275.16336	0.5
280.12274	0.1
285.14935	0.2
297.66293	0.1
297.93124	0.1
303.15842	0.8
341.21140	1.9
342.21637	0.3
359.22116	19.7
360.22507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2211
Annotation	Canrenoate
Peak:m/z	Relative Intensity
53.03922	0.4
55.05498	0.8
57.03428	1.5
57.06837	0.3
57.07070	3.5
62.95205	0.2
67.05494	3.0
69.03406	0.3
69.07051	2.4
69.81625	1.6
70.97444	0.2
79.05473	2.0
79.27376	0.2
81.07046	21.6
82.07363	0.6
83.01316	2.1
85.02902	0.3
85.06516	0.5
91.05468	1.1
93.07026	3.2
95.04937	0.4
95.08585	4.2
101.84370	0.2
105.07004	0.8
107.08575	4.1
109.06509	0.5
109.10146	1.1
111.11697	0.3
117.07008	0.4
119.08569	0.6
121.06490	0.4
121.10141	1.4
123.04430	0.3
123.11690	100.0
124.11256	0.2
124.12051	3.1
124.12914	0.4
131.08586	0.6
133.10043	0.3
135.08040	2.7
135.11679	7.0
137.05960	0.7
139.03879	0.6
145.10127	1.5
149.05942	0.9
149.09657	1.2
153.05458	1.2
155.08531	0.7
157.42102	0.2
158.07260	0.4
159.08102	0.4
161.05937	0.7
162.06709	0.7
163.07513	2.7
163.11165	1.0
165.05444	2.2
166.05811	1.6
167.05992	0.8
173.05896	0.4
173.09601	1.8
175.07529	0.5
175.11171	0.3
176.08316	1.1
177.05487	1.1
177.09087	6.3
178.09494	0.3
179.03337	0.4
181.08484	0.3
185.07204	0.3
187.07568	0.3
189.05415	0.4
190.06218	0.3
191.06982	0.7
191.10637	4.5
199.07512	0.3
200.08313	0.3
201.09071	4.0
201.93283	0.2
202.09583	0.4
204.07745	0.8
205.08534	0.6
207.10161	0.5
211.11177	0.3
214.06248	0.4
215.07085	0.3
215.10718	0.9
217.12112	0.3
219.10136	40.6
220.10469	1.9
221.11755	0.3
225.11108	0.8
228.07727	1.0
233.11705	0.8
235.09630	0.9
237.11186	55.9
238.11539	2.7
242.09425	0.5
243.10135	5.7
244.04411	0.2
244.10468	0.4
249.11096	0.3
251.12775	0.4
257.11682	3.1
259.13141	0.5
261.11172	3.1
262.11499	0.2
275.12726	2.2
275.16190	0.5
277.14383	0.5
285.14734	0.6
288.16852	0.4
289.17120	1.3
303.15869	1.4
341.21091	2.6
359.22119	86.6
360.22455	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	359.2212
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
53.03922	0.4
55.01846	0.2
55.05494	1.1
57.03427	2.8
57.07074	1.2
65.03920	0.2
67.05491	1.3
69.03397	0.3
69.07055	1.5
70.69770	0.5
71.04967	0.2
78.59481	0.1
79.05095	0.2
79.05488	2.4
81.03342	0.1
81.07043	2.2
83.01324	4.2
83.04948	0.2
85.02869	0.3
85.06521	1.2
91.05465	2.7
93.07031	9.2
95.04937	0.6
95.08584	1.0
105.06998	1.7
107.04916	0.2
107.08578	11.9
108.08913	0.3
109.02856	0.2
109.06496	1.0
109.10146	2.9
111.04395	0.3
116.06184	0.2
117.06968	0.8
119.08556	0.8
121.06481	1.2
121.10108	0.6
123.04391	0.3
123.08044	0.2
123.11694	4.3
127.07503	0.6
129.06961	0.4
130.07753	0.4
131.08549	1.2
133.06471	0.2
133.10091	0.5
135.04382	0.2
135.08038	5.2
135.11671	14.8
136.08379	0.3
136.12009	0.5
137.05992	0.7
137.09583	0.3
139.03897	1.1
141.05449	0.3
142.07759	0.2
143.08527	0.2
145.06477	0.2
145.10104	2.8
146.10461	0.2
147.08051	0.3
148.08823	0.1
149.05945	1.6
149.09602	2.4
153.05438	3.6
153.06706	0.3
155.08536	0.8
157.10153	0.1
158.07201	0.6
159.08022	0.7
161.05919	1.0
162.06726	1.5
162.12555	0.1
163.07520	4.9
163.11140	2.1
165.05453	1.1
165.09074	0.3
167.07066	0.2
173.09593	3.1
175.07568	0.4
176.08311	2.1
177.05565	1.3
177.09087	11.9
178.09406	0.6
179.06903	0.2
179.10683	0.2
181.08531	0.4
186.06744	0.3
187.07463	0.2
189.09053	0.3
190.06224	0.7
191.07039	1.0
191.10646	7.2
192.11005	0.3
195.10063	0.2
201.09085	4.7
202.09612	0.2
203.06824	0.1
203.10664	0.5
204.07755	1.3
205.08559	0.5
205.12120	0.2
206.09422	0.2
207.10173	1.4
217.08537	0.2
217.12180	0.2
219.10132	71.9
220.10481	2.9
221.11674	0.1
225.08966	0.3
225.11183	5.2
226.11424	0.2
228.07790	0.2
229.08633	0.2
231.10173	0.4
231.13814	0.1
233.11702	1.1
237.11176	100.0
238.11517	3.7
241.08580	0.2
242.09177	0.2
243.10091	0.5
244.10747	0.2
249.11255	0.3
251.12747	1.2
257.11630	1.9
259.13232	0.3
261.11032	0.2
263.12689	0.3
271.13214	0.4
275.12723	1.1
275.16159	1.3
276.16528	0.2
277.14111	0.2
285.14780	0.3
303.15826	0.9
317.17508	0.1
341.21066	3.4
342.21234	0.2
357.00229	0.1
359.22113	26.5
360.22461	1.8
370.50015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2211
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
53.03916	0.4
55.01851	0.4
55.05499	2.4
57.03429	2.7
57.07065	4.4
65.03914	0.4
67.05495	3.3
69.03409	1.2
69.07060	1.6
69.59610	1.5
71.04952	0.3
77.03893	0.2
79.05479	3.0
80.05793	0.2
81.07040	4.0
83.00862	0.3
83.01324	3.5
83.04970	1.0
83.08584	0.4
85.02885	0.3
85.06050	0.2
85.06530	3.2
91.04940	0.3
91.05467	3.3
93.07029	14.1
94.07352	0.4
95.04951	1.0
95.08593	1.4
97.06499	0.3
97.10169	0.3
105.06472	0.1
105.07014	1.7
107.04893	0.3
107.08576	8.8
108.08865	0.2
109.06507	1.6
109.10138	3.7
111.04405	0.2
117.06992	0.7
119.04871	0.3
119.08590	1.0
121.06483	2.7
121.10110	1.1
123.04411	0.4
123.08022	0.6
123.11697	1.4
125.05949	0.3
127.07535	2.3
128.06161	0.2
129.06990	0.3
130.07759	0.3
131.08543	1.2
133.06474	0.3
133.10077	0.5
135.04376	0.2
135.08041	3.4
135.11671	11.3
136.12001	0.3
137.05943	1.2
137.09572	0.7
139.03854	0.8
141.05415	0.5
143.08514	0.3
145.06444	0.5
145.10101	1.5
147.07983	0.7
147.11673	0.2
149.05945	1.0
149.09619	2.2
149.13200	0.2
151.07478	0.3
153.05478	1.6
153.08989	0.3
155.08501	0.5
158.07208	0.7
159.08044	1.2
159.11636	0.7
161.05939	0.9
161.09586	0.4
162.06702	1.0
163.06212	0.3
163.07524	5.2
163.11133	1.5
165.05473	1.2
165.09096	0.5
167.06982	1.0
167.08311	0.2
168.09273	0.2
169.10109	0.2
171.07977	0.2
172.08749	0.3
173.05968	0.2
173.09598	2.6
174.06743	0.4
175.07552	1.1
175.11101	0.3
176.08315	2.2
177.05539	1.5
177.09074	7.6
177.12669	1.2
178.06197	0.3
178.09419	0.4
179.06981	0.5
179.10667	0.5
181.04968	0.2
181.08559	0.7
183.08022	0.3
183.10156	0.3
183.11653	0.3
185.05984	0.2
185.09554	0.2
186.06772	0.3
186.10464	0.3
187.07526	1.4
187.11130	1.0
188.55937	0.3
189.09134	0.8
190.06253	0.8
190.09782	0.7
191.07004	5.4
191.10634	6.9
192.07753	1.3
192.10916	0.2
195.06429	0.2
195.10114	1.1
197.09502	0.5
199.07596	0.8
200.08243	0.5
201.05412	0.2
201.09094	3.1
201.12662	0.5
203.06996	1.5
203.10611	0.7
204.07805	2.1
205.05048	0.2
205.08562	6.8
205.12172	2.8
206.09317	2.1
207.08389	0.2
207.10152	2.7
209.11682	0.2
211.11168	0.5
213.09056	0.5
214.09850	0.9
215.07240	0.8
215.10631	4.4
216.07715	0.2
217.08575	0.8
217.12134	0.4
218.09312	0.7
219.06734	7.9
219.10124	37.5
220.06865	0.3
220.10449	1.5
223.75929	0.2
225.08994	0.3
225.11151	3.7
227.07008	0.4
227.10629	0.4
228.07747	2.8
228.11415	0.4
229.08653	1.2
229.12201	2.8
229.15732	0.2
231.10081	0.7
231.13826	0.2
232.10854	0.7
233.11688	16.6
234.12102	1.0
235.09489	0.2
237.11179	34.6
238.11562	1.2
239.10632	1.3
239.14314	0.3
241.08641	0.3
241.12128	0.2
242.09332	2.1
243.10123	1.6
243.13783	0.5
244.10770	0.4
245.11655	0.7
246.08850	1.0
247.09464	0.4
247.13298	1.1
251.12750	20.5
252.13179	1.1
255.10130	0.3
256.10858	0.7
257.11685	19.5
257.15085	0.8
258.12000	1.1
259.13229	1.1
261.11118	0.6
261.14691	0.4
263.12766	0.6
265.14313	0.5
269.11664	0.4
270.12421	0.4
271.13354	1.1
273.14807	0.3
275.12759	25.3
275.16251	2.6
276.13162	1.3
277.14255	0.5
279.15906	0.9
283.13293	0.3
285.14844	5.9
286.15164	0.3
289.14307	0.7
299.16357	0.5
303.15863	15.3
304.16196	1.1
311.16379	0.3
313.21704	0.2
317.17459	0.5
323.20126	0.2
341.21078	14.3
341.44260	0.2
342.21326	0.8
359.22110	100.0
360.22458	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	359.221
Annotation	Myrsinoic acid B
Peak:m/z	Relative Intensity
51.71903	0.1
53.03929	0.4
55.01850	0.4
55.05511	1.3
56.02068	0.2
57.02081	0.2
57.03427	3.8
57.06843	0.2
57.07066	1.8
59.04979	0.2
65.03937	0.4
67.05200	0.2
67.05492	2.4
69.03403	0.5
69.06742	0.2
69.07062	2.6
69.99017	0.8
69.99419	0.3
71.04969	0.3
79.05489	2.2
81.07043	6.0
83.00845	0.3
83.01323	4.7
83.04958	0.4
83.08579	0.2
83.85809	0.2
85.06532	1.0
91.05464	2.9
93.03424	0.2
93.07028	7.5
95.04952	0.9
95.08586	1.8
105.07014	2.3
107.04957	1.1
107.08576	9.1
108.08879	0.2
109.02886	0.4
109.06496	1.3
109.10139	2.9
111.04410	0.4
111.11681	0.2
115.05433	0.3
117.06991	1.1
119.04870	0.3
119.08576	1.3
121.06501	1.6
121.10115	1.2
122.10883	0.2
123.04445	0.3
123.07993	0.3
123.11687	14.1
124.12021	0.3
127.07511	0.8
129.06989	0.3
130.07736	0.7
131.08554	1.3
133.06482	0.4
133.10083	0.5
135.04396	2.3
135.08029	5.7
135.11671	12.1
136.12015	0.5
137.05940	1.0
137.09579	0.4
139.03870	1.4
142.07785	0.2
143.08467	0.4
145.06435	0.4
145.10085	3.2
146.10535	0.2
147.07993	0.6
149.05963	1.8
149.08470	0.3
149.09586	2.9
151.03880	1.1
152.04631	0.2
153.05450	2.8
155.08502	1.2
157.10107	0.2
158.07237	0.8
159.08058	0.8
161.05974	1.4
161.09610	0.4
162.06735	1.8
163.03883	6.0
163.07530	5.5
163.11153	2.4
165.05481	2.4
165.09087	0.3
167.07112	0.3
169.04901	0.2
173.05884	0.3
173.09605	4.0
174.10439	0.2
175.07498	1.0
175.11206	0.2
176.08319	2.2
177.05495	2.4
177.09084	12.7
178.06221	0.2
178.09459	0.3
179.03326	0.3
179.10733	0.2
181.04921	3.0
181.08522	0.4
181.10094	0.2
183.08058	0.3
186.06781	0.3
187.07492	0.4
187.11075	0.2
189.05377	0.3
189.09161	0.3
190.06166	1.2
191.03328	0.3
191.07025	2.2
191.10637	8.9
192.11089	0.2
193.08646	0.2
195.10197	0.3
201.05440	0.2
201.09077	5.1
203.06979	0.9
203.10641	0.6
204.07785	2.0
205.08537	1.5
205.12251	0.6
206.09354	0.3
207.10115	1.0
213.09164	0.2
215.07201	0.2
215.10629	0.7
217.08589	0.6
218.09059	0.3
219.10132	76.5
220.10457	2.6
221.11732	1.3
223.99664	0.2
225.09076	0.3
225.11154	3.7
227.10550	0.2
228.07805	0.3
229.08569	0.9
229.12299	0.4
231.10117	0.4
233.08215	0.2
233.11702	2.4
235.09576	0.6
237.11176	100.0
238.11522	4.2
242.09393	0.3
243.10167	1.3
245.11725	0.3
247.13109	0.3
251.12770	3.2
255.10039	0.3
257.11682	3.2
258.12146	0.4
259.13251	0.5
261.11194	0.7
263.12646	0.2
267.13742	1.0
271.13275	0.2
275.12747	3.3
275.16321	1.0
277.14322	0.3
279.16074	0.2
285.14810	3.4
289.14355	0.2
289.17700	0.2
303.15878	8.1
304.16129	0.5
341.21069	4.6
342.21359	0.3
359.22113	42.3
360.22455	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	359.2213
Annotation	Myrsinoic acid C
Peak:m/z	Relative Intensity
55.01859	0.3
55.05496	1.6
56.73496	0.2
57.03431	2.7
57.06806	0.3
57.07066	3.5
65.03905	0.4
67.05489	3.9
69.03403	0.9
69.07063	2.2
69.75404	1.6
69.75818	0.8
71.04979	0.4
77.03905	0.5
79.05109	0.3
79.05489	3.4
81.07050	4.5
83.01324	4.8
83.04939	0.9
83.08589	0.4
85.02868	0.4
85.06535	2.8
91.05462	3.9
93.07030	13.1
94.07333	0.3
95.04922	1.2
95.08582	2.2
97.10132	0.3
98.70046	0.3
98.73472	0.3
105.07023	2.3
107.08576	13.5
108.08895	0.5
109.06501	2.3
109.09430	0.4
109.10138	4.7
117.06980	1.4
119.08546	1.2
121.02852	0.3
121.06495	3.7
121.10108	0.8
123.04413	0.4
123.11697	2.7
127.07527	2.3
129.06979	0.3
130.07762	0.3
131.08557	1.9
133.06407	0.6
133.10143	0.6
135.04399	0.3
135.08038	4.4
135.11674	16.9
136.12021	0.5
137.05954	1.6
137.09589	0.6
139.03877	1.3
141.05411	0.4
143.08577	0.3
145.10115	3.7
147.08006	0.6
149.05969	2.0
149.09625	2.8
153.05443	2.4
155.08531	0.8
158.07243	0.7
159.08023	1.1
159.11621	0.7
161.05954	0.9
162.06718	1.1
163.07516	6.4
163.11171	1.5
165.05505	1.8
165.09137	0.4
167.07008	0.9
169.04912	0.8
173.09593	3.0
175.07524	1.3
176.08308	2.7
177.04254	0.2
177.05460	8.9
177.09085	13.2
177.12743	1.1
179.06944	0.7
179.10590	0.3
181.04929	0.7
181.08588	1.0
183.10181	0.6
186.06662	0.3
187.07542	0.6
187.11142	0.7
189.09010	0.7
190.06224	0.9
190.09850	0.6
191.07042	3.5
191.10637	7.6
192.10983	0.5
192.42168	0.3
195.06493	0.8
195.10141	1.0
201.09077	4.0
201.12787	0.4
203.06996	0.7
203.10648	0.6
204.07785	4.3
205.08578	4.8
205.12215	2.9
206.09335	2.7
207.10130	2.4
215.07034	0.4
215.10652	2.6
217.08588	0.5
217.12195	0.4
218.09315	0.6
219.06590	2.2
219.10136	64.1
220.10457	2.9
221.11597	0.4
225.11176	5.6
229.08585	0.7
229.12212	1.1
231.10098	0.7
233.11702	15.7
234.12047	0.7
237.11180	100.0
238.11523	4.6
239.10561	0.4
241.12177	0.3
242.09360	1.1
243.10118	1.1
243.13823	0.7
245.11761	0.5
247.09512	0.3
247.13319	1.0
251.12755	18.3
252.13138	0.8
255.10046	0.4
256.10904	0.6
257.11691	6.4
257.15378	0.9
258.12152	0.6
259.13257	0.8
261.11212	0.9
263.12793	0.3
265.14224	0.4
269.11786	0.6
271.13290	0.4
273.14874	0.8
275.12744	13.2
275.16129	0.9
276.13168	0.5
277.14410	0.6
279.15891	1.1
283.13348	0.4
285.14844	5.9
289.14316	0.9
298.15555	0.4
299.16394	0.4
303.15863	16.7
304.16373	0.7
341.21075	9.8
342.21484	0.8
359.22122	87.2
360.22424	6.0
360.26584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1847
Annotation	Myricanol
Peak:m/z	Relative Intensity
53.03929	0.9
54.78933	0.7
55.01861	1.9
55.05505	3.5
57.03422	1.6
57.07063	4.1
67.05487	6.6
69.03401	2.5
69.07060	5.4
71.04973	7.3
77.03934	0.9
79.05479	5.7
81.07037	8.9
82.07349	1.0
83.01333	9.4
83.04952	2.1
85.02899	1.5
85.06536	1.2
91.05466	8.3
93.07029	13.9
93.38583	0.7
95.04943	3.4
95.08593	7.9
96.08981	0.8
97.02901	1.0
97.06512	1.1
97.10110	0.9
97.78417	0.7
105.03407	3.8
105.07023	10.4
106.07349	0.9
107.04954	1.3
107.07894	1.4
107.08571	16.1
109.06489	3.3
109.10140	9.1
111.04424	2.6
111.08047	2.4
113.05967	1.6
115.05437	1.2
117.06996	2.9
119.04909	1.5
119.08527	4.9
121.06454	5.6
121.10112	11.3
123.04391	1.5
123.08051	4.3
123.11691	9.0
125.05980	1.3
125.09592	1.6
129.03352	2.3
129.06982	1.6
130.07762	2.1
131.08556	7.7
133.06445	2.4
133.10139	3.9
135.08051	8.7
135.10744	1.1
135.11668	7.6
137.05939	2.3
137.09589	4.4
139.03874	2.5
139.07486	1.0
141.05409	1.3
141.06969	1.0
141.09052	1.1
142.07736	2.1
143.08528	4.0
145.06506	1.0
145.10095	10.0
147.08018	3.1
147.11607	2.1
149.05965	4.7
149.09593	6.6
151.07521	4.3
153.05441	6.6
155.08528	2.8
157.04968	1.7
157.10103	3.2
158.07301	0.8
159.08041	6.7
159.11641	2.5
160.08847	0.9
161.05974	2.0
161.09587	5.5
162.06732	3.2
163.07533	6.0
163.11136	4.9
165.05479	7.3
165.06813	1.2
165.09091	2.1
167.03394	4.6
167.07043	2.1
167.08507	1.1
168.09325	1.2
169.04955	2.4
169.06335	0.8
169.10114	1.9
171.08011	3.0
171.11662	1.0
173.09586	32.0
173.13216	1.2
175.07509	3.3
175.11119	2.7
177.05458	7.9
177.09070	12.4
177.12764	1.3
178.06145	2.4
179.07028	8.8
181.08528	1.3
183.08060	1.7
183.11691	2.7
185.08044	2.6
185.09608	6.0
185.13216	2.4
187.07515	3.4
187.11098	2.8
188.08269	0.9
189.05525	1.0
189.09071	6.4
190.06146	1.1
190.09601	1.0
191.06969	6.4
191.10655	7.7
192.09363	1.0
193.08577	2.4
195.06509	12.1
195.11595	1.2
196.08675	1.0
197.07980	1.0
197.09615	1.9
197.13211	2.2
199.07481	1.0
199.11226	0.8
201.09041	4.9
201.12715	2.7
203.07004	2.2
203.10640	16.6
204.07822	2.8
204.10979	0.9
205.08571	28.9
207.10100	2.4
207.11806	1.3
211.11168	2.4
213.07321	1.0
213.09087	3.1
214.09929	1.1
215.06915	1.2
215.10666	2.4
215.14177	0.9
216.07703	2.0
217.08527	1.6
217.12143	0.9
219.06528	3.1
219.10120	38.0
220.10501	2.9
221.08110	2.3
221.11493	1.4
221.13518	0.9
222.10272	0.9
223.09583	23.2
225.09064	1.6
225.10928	1.1
225.12840	1.7
227.10568	1.3
227.14284	0.9
228.07805	1.0
229.08589	2.2
229.12186	4.4
231.10121	20.8
232.10474	1.1
233.07997	0.9
233.11676	4.1
235.11380	1.0
236.09879	1.2
237.11156	39.6
238.11501	2.2
239.06934	1.5
239.11632	2.6
239.14183	1.5
240.11433	1.4
241.08470	0.8
241.12254	1.7
243.10088	2.6
243.13791	5.9
245.11693	1.6
247.09534	1.5
247.13342	2.0
249.11189	53.6
250.11621	1.4
251.12752	2.2
253.12210	3.4
253.15796	1.6
255.10065	1.7
255.13893	1.8
257.11725	3.9
257.15182	0.9
259.09720	1.2
261.11215	2.1
265.12222	1.1
267.13757	4.0
267.17410	1.1
268.10800	1.0
269.11685	3.1
271.13232	10.9
273.14929	1.3
275.12762	3.1
275.16449	1.1
277.15857	1.6
280.14517	1.5
281.11600	2.1
281.15323	2.7
283.13348	4.1
283.16052	0.8
285.14816	7.5
287.12686	1.1
289.14301	24.1
290.13022	1.0
293.11603	3.3
295.16800	4.7
299.12704	2.3
299.16333	7.6
299.19666	1.6
301.14362	5.9
303.15759	4.4
305.15277	1.9
307.13226	1.3
308.14001	2.0
309.14734	2.3
313.17874	3.8
315.19412	1.9
317.17401	4.0
323.16379	17.2
323.19937	1.5
327.15839	6.6
329.17581	1.1
341.17459	48.5
341.21100	8.2
342.17764	2.2
359.18408	100.0
359.22064	34.8
360.18768	3.4
360.22626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81794	0.6
53.00286	0.9
53.03924	0.7
55.05502	3.5
57.03434	0.5
65.03931	1.0
67.05479	2.4
69.03419	1.3
69.07053	1.2
70.12398	3.6
71.04985	10.6
72.96001	0.6
79.05467	1.8
81.07043	3.4
83.01338	1.0
83.04974	3.2
91.05479	3.7
93.07030	4.5
95.04945	1.5
95.08584	2.6
99.04449	6.8
103.05444	0.8
105.06336	1.1
105.07021	19.5
107.08583	5.2
109.06507	2.5
109.10123	0.8
111.04436	27.9
113.05982	1.2
117.06989	2.5
119.08578	4.2
121.06480	1.7
121.10129	3.1
122.34127	0.6
123.04411	1.2
123.08051	1.7
125.05988	0.8
127.03883	1.1
128.06189	0.9
129.06949	2.2
130.07784	2.0
131.08566	3.8
133.10095	1.4
135.08037	1.3
135.11621	0.7
137.05963	1.3
142.07762	1.3
143.08548	2.9
145.06416	0.7
145.10112	32.9
146.10481	1.2
147.11655	3.2
149.05997	4.6
149.09602	0.9
151.07570	3.6
153.05490	1.6
155.08601	3.1
156.09232	0.7
157.10117	2.6
159.08023	1.3
159.11693	1.7
163.07518	1.3
163.11156	1.5
165.05453	1.9
165.06842	0.8
165.09084	0.6
167.03491	0.6
167.08519	1.0
168.09306	1.7
169.04970	1.4
169.08589	5.6
169.10033	1.5
171.08026	2.5
171.11632	1.0
172.08807	0.9
173.09618	6.2
175.07513	0.9
175.11281	0.8
177.05394	0.8
177.09027	1.0
181.08546	1.6
181.10095	2.1
182.10933	3.3
183.08052	0.7
183.11658	2.1
185.09645	0.8
185.13133	0.8
187.07568	1.1
187.14780	0.7
189.09148	0.9
189.12711	4.9
191.07008	2.7
191.10655	17.4
192.11040	0.7
193.08551	2.1
193.10139	1.1
195.06447	1.2
195.08179	0.6
195.10114	3.0
195.11707	1.0
196.08752	1.2
197.13226	7.1
199.11223	1.0
200.11974	0.7
201.09084	11.8
201.12671	1.1
203.07072	1.2
205.08527	1.0
207.11699	0.6
209.09755	1.0
209.11694	1.5
210.10423	1.8
211.11159	8.6
213.09148	1.1
213.12701	1.0
214.13402	0.6
215.10675	1.2
215.14297	2.7
219.10153	4.2
221.11708	1.9
225.12741	2.6
227.10648	3.7
228.11391	1.4
229.12209	1.2
230.24081	0.6
233.11676	0.8
237.11137	3.7
239.09125	2.2
241.12257	2.5
243.13789	100.0
244.14195	5.7
245.15338	1.2
247.13347	1.2
253.12167	0.8
257.11716	1.0
258.12494	0.8
259.13000	0.7
261.11093	0.7
267.13818	0.9
271.13348	6.7
272.13895	1.5
273.14700	0.6
275.12689	0.8
285.14655	1.0
289.11093	1.0
289.14301	16.0
290.14624	0.8
291.15958	1.2
295.16632	0.6
299.16351	2.3
303.15875	1.4
313.17957	44.6
314.18408	2.8
315.19528	16.5
316.19989	0.7
317.17587	0.8
322.21182	0.6
323.16342	0.8
341.17383	5.2
341.21170	1.4
359.18442	27.1
359.22260	4.8
360.18823	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	359.1847
Annotation	(+)-Ar,11S-Myricanol
Peak:m/z	Relative Intensity
53.03934	2.0
55.01860	1.8
55.05493	3.1
57.07055	2.8
59.04976	1.5
67.05504	10.4
68.99747	1.6
69.03418	3.1
69.07063	15.0
71.04974	7.1
79.05463	5.1
79.32661	1.2
81.07043	7.9
83.01311	6.7
85.02874	2.4
91.05454	15.2
93.07026	39.6
95.04946	6.7
95.08590	6.3
97.06501	2.0
98.20676	3.8
105.07020	11.7
107.04964	1.7
107.08585	11.4
109.06525	2.5
109.10110	7.9
113.05967	5.2
117.07020	3.9
119.08557	4.8
121.06477	3.9
121.10110	8.9
123.04457	3.5
123.08037	2.2
123.11695	9.7
127.03806	1.3
128.06206	4.0
131.08522	6.2
133.06470	8.7
133.10098	4.7
133.79857	1.3
135.08023	5.3
135.11661	9.4
137.05960	2.7
137.09627	1.4
139.03856	2.4
141.05412	1.7
143.08536	7.7
145.06416	2.1
145.10123	13.9
147.07938	1.8
147.11646	2.8
149.05933	3.1
149.09584	6.3
151.03871	1.8
151.07460	1.8
153.05415	5.0
155.08556	2.0
157.04982	2.0
157.10091	3.4
159.08044	5.7
159.11661	2.1
161.09613	6.9
163.07556	3.7
163.11145	3.1
165.05548	8.7
165.06764	1.8
167.06998	1.8
168.09285	1.7
169.04930	17.5
171.08025	100.0
172.08411	2.6
173.09578	17.8
175.07584	2.8
175.11211	2.5
177.05411	4.0
177.09027	6.2
179.06956	4.9
179.08392	1.5
183.08041	1.6
183.11671	3.5
185.09595	3.0
186.67499	1.7
187.07492	3.0
189.08966	6.3
191.07018	18.6
191.10654	4.8
192.07764	1.7
195.06479	5.1
197.09679	1.7
197.13405	1.8
201.09056	5.6
201.12733	10.8
203.10667	5.8
203.14214	2.9
205.08551	7.5
206.08992	1.8
207.06534	1.5
207.10094	1.9
209.07991	3.1
209.13223	2.4
211.11116	3.2
213.07281	1.9
213.09160	7.4
215.06949	1.6
219.10126	28.1
219.13683	3.2
221.07971	1.4
221.11501	1.5
223.09589	4.0
225.08900	1.5
225.12817	2.0
227.10526	2.3
229.08566	4.1
229.12199	11.4
229.46994	1.9
231.10092	10.0
233.11642	2.0
237.11104	31.9
247.09473	7.7
249.11166	12.7
251.12781	2.2
253.12131	4.0
257.11581	2.5
265.12140	4.9
267.12064	13.6
271.13245	21.4
275.12668	2.4
281.11624	3.6
281.15323	4.2
283.13254	63.4
284.13568	3.8
289.14307	11.5
291.15811	7.2
295.16946	3.9
299.12711	3.9
299.16376	7.4
301.14227	10.0
303.05042	3.2
303.08508	1.9
305.15247	4.5
313.17844	2.0
317.13675	2.3
323.16394	14.1
324.16684	1.7
341.17447	61.9
341.21103	6.2
342.17679	3.2
359.07245	2.1
359.11194	3.0
359.18402	53.1
359.22131	21.7
360.18729	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	359.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05498	4.7
57.03416	2.2
57.07066	4.9
62.23286	1.3
67.05499	9.7
68.62474	1.2
69.03419	5.3
69.07053	10.6
71.04985	23.8
71.80476	1.6
71.80946	2.1
79.05490	9.3
81.07051	13.2
83.01321	5.3
83.04960	5.5
83.08599	1.6
85.02876	2.8
85.06529	2.9
91.05460	9.2
93.07034	19.9
95.04943	3.6
95.08596	13.4
97.02914	1.3
97.06503	3.1
105.07022	18.1
107.08583	15.9
109.02823	1.5
109.06483	4.2
109.10124	6.3
111.04421	2.3
111.08057	1.2
113.05961	2.0
117.07008	2.9
119.04944	2.0
119.08556	11.8
120.77484	1.2
121.06485	4.5
121.10139	16.5
123.04359	1.4
123.08059	1.8
123.11686	10.6
128.06227	1.5
129.06914	2.1
130.07715	1.5
131.08539	7.5
133.06468	3.1
133.10109	13.0
135.04413	4.6
135.08026	4.6
135.11676	12.6
137.05937	12.8
137.09587	2.9
137.13242	2.1
139.03897	2.7
141.05353	1.7
141.07013	2.0
142.07765	2.4
143.08563	6.1
145.06502	1.7
145.10109	20.4
147.08051	2.3
147.11676	3.0
149.05940	4.2
149.09587	3.6
151.03902	1.8
151.07553	4.5
151.11143	1.8
153.05437	5.7
155.08534	6.7
156.09325	4.4
157.01355	1.3
157.10085	8.0
159.08009	3.3
159.11678	4.2
161.05960	3.0
161.09694	3.0
163.07541	6.2
163.11166	5.1
165.05473	3.8
165.06906	1.4
165.09065	1.7
166.07845	1.8
167.03372	3.3
167.07120	2.9
167.08432	2.6
169.04962	6.9
169.10103	5.0
171.08026	3.9
171.11636	8.1
173.05981	2.0
173.09569	15.6
173.13228	3.6
175.07616	3.1
175.11133	5.2
177.05472	5.4
177.09027	8.6
177.12712	1.9
179.03433	1.7
179.06987	1.8
179.10608	2.5
181.10072	2.0
182.10918	5.6
183.08160	1.6
183.11624	4.8
185.09616	3.5
185.13243	4.1
187.07565	3.7
187.11156	4.6
187.14758	4.6
189.09096	2.5
191.06973	3.7
191.10628	5.6
193.08588	3.9
195.06529	6.1
197.13252	16.1
199.11142	3.3
201.09093	10.4
201.12724	5.8
203.07065	1.9
203.10605	6.6
205.08543	3.5
206.39258	1.5
207.06479	2.6
207.10117	11.7
209.08023	1.8
209.11507	1.8
210.10352	2.3
211.11172	2.6
213.09267	2.2
213.12660	4.7
215.07057	1.7
215.10771	3.0
215.14284	23.5
219.06682	3.3
219.10139	40.5
221.08034	5.0
221.11688	2.9
225.07436	2.4
225.12941	10.0
226.13161	1.6
227.10641	4.2
229.08624	2.5
229.12279	6.4
231.10161	17.3
233.11749	5.4
235.09592	2.1
237.07536	1.6
237.11183	33.3
241.12163	2.2
242.13045	2.8
243.13783	100.0
244.14082	2.8
245.15280	2.0
247.09619	3.3
249.11034	1.5
251.12758	6.4
253.12137	3.8
257.11743	4.8
257.19009	3.0
261.11279	2.0
265.10635	9.9
271.13232	22.5
273.14783	4.5
275.12729	7.6
283.13242	1.6
285.14801	4.2
289.14322	66.4
290.14444	1.8
291.15900	3.9
295.16925	2.3
299.16400	2.5
301.14297	13.2
303.15961	7.2
305.01953	1.4
313.17923	25.5
315.19626	7.2
315.22787	1.9
323.16348	2.6
323.20084	2.0
331.18878	2.2
341.17361	15.5
341.21124	10.7
342.17807	2.4
359.10977	5.5
359.18405	71.7
359.22159	40.8
360.11185	1.4
360.18787	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64281	0.3
50.87224	0.3
53.03907	0.8
55.01836	0.9
55.05482	0.8
57.03401	1.2
59.04967	0.4
61.02916	1.5
65.21918	0.3
67.05471	1.0
69.03423	4.8
69.07047	0.6
70.06560	0.4
70.15559	1.3
70.15969	0.6
71.04984	1.5
73.02883	1.3
79.05465	0.5
81.03406	1.5
81.07008	0.9
85.02409	0.7
85.02892	10.5
85.06499	0.4
86.09670	0.9
87.04048	0.3
87.04458	3.4
90.01876	0.7
91.03922	0.5
91.05462	0.7
93.06994	0.9
95.04931	0.7
95.08569	0.5
96.01242	0.3
97.02349	0.3
97.02888	4.2
97.06482	0.7
97.85581	0.3
99.04415	0.7
102.59742	0.3
103.05411	0.4
105.03378	0.4
105.06999	0.7
107.08550	1.0
109.02828	0.9
111.04430	0.5
111.08032	0.8
113.05993	1.6
114.05475	0.4
116.08312	0.5
119.08595	0.5
119.42518	0.3
121.02859	3.3
121.06503	0.3
121.10021	0.4
123.04379	0.5
123.11732	0.4
127.03909	2.5
133.10062	0.4
137.05951	1.0
137.09596	0.3
138.06749	2.3
139.07483	0.8
145.04941	1.3
151.07501	0.6
151.11163	1.1
153.09085	24.3
154.09451	0.5
163.11143	1.0
164.08266	0.4
165.09044	0.8
175.07648	0.3
177.01826	0.5
177.09067	0.3
179.03310	0.3
179.10643	8.9
180.08730	2.2
180.10922	0.3
189.01698	0.6
197.11705	100.0
198.12039	2.8
203.03287	0.4
205.04868	0.4
206.53622	0.3
219.10107	0.8
231.02812	0.3
234.81062	0.3
237.11102	0.7
283.06033	0.7
297.07538	0.7
307.31802	0.3
359.07196	0.4
359.16995	14.8
360.10727	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	359.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01862	2.7
57.03422	3.0
61.02919	5.6
67.05472	1.4
69.03416	11.0
69.07048	1.1
69.89272	5.3
70.06541	0.8
71.04980	1.5
72.08139	2.1
72.66804	0.6
73.02899	2.6
79.05473	2.0
80.35374	0.6
81.03406	6.8
81.07048	2.2
83.01290	0.9
83.04970	0.7
84.08134	0.8
85.02896	37.2
86.09690	1.5
87.04449	1.5
91.03958	2.4
91.05458	5.6
93.07039	5.5
95.04967	1.6
95.08582	2.6
97.02872	11.7
99.04449	1.6
105.07021	6.2
107.08581	53.0
108.08948	1.5
109.02863	2.9
109.06503	2.3
109.10139	8.1
112.99025	0.8
119.08541	2.6
121.02837	1.5
121.06471	2.2
123.04400	3.7
123.07980	0.8
123.11705	1.2
127.03893	9.3
133.10110	21.8
134.10408	0.8
135.04326	0.8
135.11678	10.2
137.02327	7.6
137.05986	1.6
137.09583	7.1
139.03886	3.4
145.04947	8.2
147.04398	1.7
149.00787	0.7
149.05939	0.8
151.11159	4.0
161.09595	8.2
163.03864	5.1
163.07532	2.3
165.01808	1.6
179.10646	22.7
179.14229	2.0
181.04915	2.1
189.01849	1.4
190.02721	0.9
191.03378	1.4
191.07004	1.4
197.07935	7.5
197.11710	100.0
197.15469	2.4
198.12082	3.5
201.40443	0.8
203.03519	1.4
207.02927	1.4
208.09688	0.9
208.54430	0.7
219.02802	1.0
231.02818	2.7
249.03938	1.5
254.83884	0.7
275.05548	1.1
281.04327	0.9
299.05371	2.6
329.06375	0.9
341.06430	4.7
359.07285	2.0
359.12662	4.7
359.16763	7.9
360.14246	1.6
381.32349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.96470	0.5
53.03941	0.9
55.01855	2.0
55.05484	0.7
55.31305	0.4
57.03414	1.6
57.49556	0.5
59.04980	0.8
61.02898	0.9
67.05486	1.3
68.99767	1.1
69.03425	3.4
70.06564	1.4
71.15466	1.1
73.02892	1.9
75.04458	2.7
75.89201	0.4
79.05476	1.6
79.62740	0.5
81.03394	1.8
81.07040	2.2
83.01321	0.5
83.04959	0.9
84.04483	0.4
85.02379	0.8
85.02888	14.7
86.09670	0.8
91.03930	0.7
91.05449	4.3
93.03377	0.6
93.07026	6.3
95.04919	2.2
95.08604	1.5
97.02879	4.9
97.06496	0.5
99.04436	0.9
101.87980	0.4
103.05470	0.4
105.07002	5.7
107.04922	1.1
107.08572	18.1
108.08903	0.7
109.02858	1.4
109.06480	1.3
109.10107	1.2
111.04444	0.9
115.32740	0.5
117.07006	0.9
119.04929	1.7
119.08527	2.5
121.02826	3.2
121.06515	2.2
121.10146	0.5
123.04425	3.0
123.08058	2.6
123.11661	1.7
127.03893	5.6
131.04858	0.7
131.08498	0.6
133.02785	0.7
133.10109	17.1
135.04431	0.8
135.06506	2.0
135.08009	0.9
135.11671	19.4
136.11995	0.9
137.02312	6.6
137.05934	1.2
137.09579	1.8
145.04915	2.9
146.15109	0.4
147.04407	1.5
149.05910	1.2
151.03831	0.5
151.07507	1.2
151.11121	1.6
152.07846	0.5
153.01773	0.9
161.05972	0.6
161.09596	9.9
163.03860	1.3
163.07515	1.8
163.11115	0.4
165.01805	1.8
170.05972	0.4
173.05930	0.6
173.09572	3.8
175.03883	0.7
177.05489	0.8
177.09079	0.6
179.10638	30.7
179.14157	2.5
180.04974	0.7
180.11006	0.7
181.04858	0.6
183.02878	0.6
189.01813	0.9
191.03413	1.0
191.06998	4.1
197.11699	100.0
198.12079	2.9
203.03264	2.6
207.02885	0.8
208.05765	0.5
208.09686	8.3
213.07574	1.2
215.03426	1.1
219.03008	0.5
219.10123	1.3
223.02507	0.5
231.02837	5.2
237.11250	2.5
249.03903	1.9
253.04909	0.9
255.02707	0.6
271.06174	0.4
273.03821	1.0
275.05429	1.9
281.04337	0.8
299.05420	1.4
313.07007	0.9
315.05157	0.6
329.06726	0.6
341.06482	10.4
341.10568	0.5
341.17365	1.1
342.06772	0.6
359.07370	2.2
359.17004	1.2
359.22110	1.5
360.14395	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	359.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41688	0.4
53.03937	0.4
54.71012	0.4
55.01853	1.6
55.05492	0.6
57.03411	1.4
57.07053	0.5
59.04981	0.7
61.02905	1.1
63.27007	0.3
65.03925	0.5
67.05484	1.1
68.26888	0.3
68.99767	1.2
69.03417	4.1
69.07028	0.6
69.74785	2.9
70.06580	1.8
71.01317	0.3
71.04973	0.9
72.08113	0.4
72.99317	0.3
73.02898	3.2
74.03654	0.5
74.43420	0.4
75.04471	3.5
79.05470	2.3
80.25486	0.3
81.03413	2.7
81.07037	1.8
83.04956	0.9
84.04472	0.5
85.02891	13.4
85.06536	0.8
86.09676	1.5
91.03940	0.7
91.05457	4.2
92.07115	0.4
93.03355	0.5
93.07025	5.5
95.04964	2.6
95.08584	1.9
97.02878	5.2
97.06543	0.4
98.03632	1.0
99.04423	0.8
101.02412	0.4
103.03940	0.7
103.05433	0.6
105.03345	0.6
105.07017	5.1
105.51009	0.3
107.04914	1.4
107.08576	19.5
108.08895	0.8
109.02850	1.6
109.06487	1.6
109.10115	2.1
111.04422	0.7
115.01912	0.3
116.04710	0.4
117.07005	1.0
119.04941	0.8
119.08585	2.8
121.02863	4.3
121.06496	2.7
121.10072	0.5
123.04403	4.0
123.08035	2.4
123.11663	1.5
127.03893	4.4
130.05008	0.5
131.04869	1.0
131.08484	0.7
133.06427	0.5
133.10112	15.6
134.10457	1.0
135.04382	1.0
135.06503	2.8
135.08057	0.9
135.11673	18.3
136.12025	0.6
137.02312	7.3
137.05930	1.8
137.09558	1.4
139.03877	0.4
139.07527	0.4
141.05632	0.4
143.08556	0.5
145.04944	2.6
145.06465	0.4
147.04388	2.3
149.05956	1.1
151.03906	0.6
151.07518	0.5
151.11092	1.8
153.01793	1.2
160.90045	0.4
161.05980	1.1
161.09595	9.7
162.09920	0.4
163.03899	0.8
163.06238	0.4
163.07518	2.6
163.11156	0.5
165.01802	1.3
165.05463	0.6
167.06953	0.6
173.05943	0.9
173.09560	2.8
175.03874	0.8
177.01872	0.9
177.05524	0.7
179.03435	0.6
179.07022	1.3
179.10646	30.4
179.14117	2.2
180.04994	0.4
180.10971	0.7
181.04993	0.5
183.02904	1.2
189.01817	1.2
190.08626	1.6
191.03348	0.8
191.07002	8.8
197.11697	100.0
198.11975	3.5
203.03362	3.1
203.06891	0.5
207.02892	0.7
208.09657	15.2
213.07565	1.2
215.03342	0.9
219.02802	0.7
219.10120	0.7
223.02252	0.6
225.05605	0.4
231.02850	5.7
237.11234	1.2
238.14496	0.4
249.03912	3.0
253.04800	0.7
273.03909	1.6
275.05435	1.9
281.04477	1.1
297.03391	0.4
299.05341	1.9
313.07040	1.3
315.04834	0.7
323.05426	0.8
325.10516	0.5
329.06415	0.7
341.06509	11.6
342.06784	1.0
342.13733	0.7
359.07492	3.0
359.17596	0.6
359.22260	1.1
360.14325	6.5
360.46179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1332
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.89447	1.0
51.44741	0.9
53.03931	1.4
55.01861	2.8
57.03420	2.7
61.02930	5.0
67.05493	2.4
68.99786	2.6
69.03423	6.2
71.04985	3.5
71.81236	1.6
73.02927	1.6
79.05484	1.0
81.03427	4.7
81.07043	1.1
83.31971	0.9
85.02900	25.9
85.06558	2.0
91.05479	3.9
93.06997	1.0
95.04948	5.9
95.08555	1.2
97.02877	6.8
99.04469	1.1
103.03935	3.9
105.07014	2.6
107.04911	2.3
107.08537	1.6
109.02847	5.1
109.06503	9.9
111.08077	4.7
113.05985	19.1
115.05400	1.1
117.06983	1.4
119.08574	3.1
121.06464	2.8
123.04420	10.9
127.03901	4.4
129.06964	1.7
131.04991	1.0
133.02885	1.5
133.06485	3.2
135.04422	1.7
137.05991	2.7
139.03856	1.9
145.04929	3.6
145.06416	2.2
145.10184	1.2
147.04417	6.8
147.08029	9.8
149.05980	3.2
151.03905	3.2
151.07523	18.6
155.06998	3.4
157.06439	2.8
159.08096	1.4
161.05972	8.4
163.03874	2.5
163.07529	4.5
173.05984	3.1
173.09598	4.6
175.07535	27.9
177.05457	4.5
177.09010	1.1
178.06181	1.3
179.07013	50.8
181.04819	1.1
185.05956	5.4
187.07527	2.1
189.05516	1.7
189.09111	4.7
191.07007	14.4
192.04143	1.3
193.08611	1.7
197.08069	100.0
198.08435	3.5
199.07588	2.6
201.05412	1.8
201.09192	2.3
203.07014	24.9
205.04976	1.0
207.06483	1.3
209.08080	18.8
215.07008	5.9
217.05011	1.3
217.08575	6.7
219.10124	1.6
221.08063	38.3
221.10260	2.0
227.07014	2.3
229.08615	2.4
231.10213	1.2
233.08043	1.9
235.06133	1.4
235.09659	2.4
237.11205	2.4
239.06839	2.2
239.09120	23.8
241.08578	3.1
245.08099	8.3
249.07553	1.3
257.08047	14.7
259.09595	2.4
263.09119	37.8
264.09561	1.7
269.08054	6.3
275.09106	27.9
276.09573	1.3
287.09143	18.0
293.10117	6.2
303.08801	1.0
305.10135	10.5
307.74051	1.2
318.21381	1.2
323.11185	12.0
341.12436	3.3
359.11237	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	359.1332
Annotation	Gardaloside
Peak:m/z	Relative Intensity
55.01865	9.6
57.03423	13.4
57.07066	6.0
67.05495	10.4
69.03413	12.0
69.07032	9.3
70.06573	10.7
71.51361	13.5
72.08155	15.1
73.02921	6.8
79.05448	11.6
79.89250	5.6
81.03390	11.6
81.07040	17.0
83.04970	9.3
83.06078	9.3
84.08147	5.7
85.02895	44.5
86.09686	30.9
91.05467	13.4
93.07015	14.2
95.04912	7.9
95.08594	11.0
97.02887	12.6
99.08062	6.9
103.18933	5.5
105.07006	12.9
107.08575	15.8
107.21049	5.4
108.04469	10.7
109.02863	13.6
109.10131	7.9
111.05537	10.3
113.05983	20.5
115.07600	6.5
117.06976	5.7
119.04960	11.4
119.08572	7.4
121.02898	15.2
121.06480	11.4
123.08060	7.8
123.11695	14.1
125.05994	11.5
127.03876	13.7
129.06978	9.4
131.04895	6.0
135.04366	6.8
135.11682	11.4
136.03914	7.2
137.02327	25.0
137.05989	35.0
145.04893	7.8
147.04393	25.4
147.07941	11.0
151.03853	37.5
151.07552	11.9
157.06453	21.3
159.08015	7.9
161.05983	18.9
161.09583	9.2
163.03854	10.3
163.07506	27.0
165.05434	9.8
167.07001	13.8
175.07492	24.9
179.03368	13.6
179.07036	62.1
179.14265	10.5
185.05933	38.5
191.07016	75.1
192.23967	6.2
197.08080	64.7
199.07484	10.9
203.03360	14.3
203.07040	19.5
205.08459	9.4
211.07140	9.1
213.09058	7.3
217.08644	10.3
219.10135	36.0
221.08087	86.3
227.06949	10.3
231.02946	15.9
231.10170	11.4
237.11212	63.9
239.08945	10.6
241.08563	8.4
245.07961	36.0
249.03854	10.0
275.06015	9.9
275.09088	55.4
287.09103	18.7
299.05301	9.6
299.12869	6.8
305.10175	11.7
311.12460	6.2
323.11325	40.7
329.06256	6.8
341.06424	21.1
341.12311	71.3
341.20886	16.2
355.47760	6.0
359.07327	64.7
359.11438	14.9
359.16724	100.0
359.22079	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05513	0.8
61.50082	0.7
65.03937	1.3
67.05496	1.4
68.99777	1.8
69.03429	1.7
69.07065	4.5
69.76991	4.3
69.77410	1.6
70.06587	0.8
71.05015	0.7
72.08160	1.1
79.05481	1.5
81.03403	2.4
81.07056	2.0
82.13107	0.6
82.33951	0.7
83.73333	0.7
85.02896	4.0
86.09692	1.7
90.79520	0.8
91.05481	2.6
92.47607	0.6
93.03382	0.8
93.07027	1.4
95.04939	1.4
97.02902	2.7
98.97579	0.9
103.05468	1.6
103.75500	0.6
105.06984	1.0
107.04953	1.1
107.08583	4.1
109.02929	1.1
111.04453	1.5
111.08059	0.6
116.98553	0.8
119.04946	1.5
121.02848	7.1
121.06476	0.8
121.10121	0.9
123.04414	7.8
123.11675	0.9
127.03877	5.3
131.04935	1.7
133.02835	1.2
133.10124	1.8
135.04413	2.1
135.08040	0.8
135.11725	1.6
137.02327	15.8
137.05978	2.8
139.03870	8.5
145.06525	0.8
147.04370	4.3
149.05981	1.1
151.03860	1.7
153.01845	3.0
153.05551	0.9
161.06010	1.2
161.09583	1.3
163.03902	3.1
163.07541	3.5
165.01865	2.8
165.05463	1.4
165.75613	0.7
171.02882	1.2
175.03886	1.9
177.01868	1.4
177.09050	0.7
179.03465	0.8
179.07111	1.7
179.10710	3.5
183.02925	2.0
185.04199	10.6
189.01778	5.1
191.03436	4.7
191.05417	1.0
191.06973	6.5
191.08495	0.7
191.10576	0.7
197.07832	90.9
197.11620	7.6
198.08243	2.1
203.03314	4.8
205.04993	1.1
207.02888	3.3
208.09688	11.0
213.05678	0.7
215.03424	1.3
215.05852	2.7
215.07733	2.7
219.02908	3.0
219.10184	1.9
221.04587	0.9
223.02487	1.0
231.02849	9.3
233.08592	3.8
237.11195	3.9
239.03497	1.1
249.03931	8.7
253.04996	1.2
257.04498	1.1
273.04013	1.8
275.05490	4.9
281.04431	1.9
291.08618	1.0
299.05386	6.2
303.08615	1.8
313.07025	1.8
323.05539	1.3
329.06506	5.6
330.07468	0.7
341.06555	17.6
342.06842	1.1
359.07758	7.9
359.13116	100.0
359.16458	4.2
360.14078	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	359.112
Annotation	Garcinisidone F
Peak:m/z	Relative Intensity
52.00742	0.2
55.05486	0.5
57.07056	0.2
60.06042	0.2
66.78266	0.2
67.05479	0.4
68.99789	0.8
69.07059	2.0
70.37066	0.9
71.04955	0.2
79.05458	0.3
79.64125	0.2
81.03407	0.2
81.07041	0.7
83.04971	1.0
89.68759	0.2
91.05441	0.6
93.07007	1.3
95.04928	0.4
95.08578	0.5
105.03411	0.3
105.07015	1.1
107.08588	0.9
109.10164	0.4
119.08558	0.4
121.02856	1.0
121.06526	0.4
121.10105	0.8
123.04346	0.3
123.08041	0.3
123.11691	0.6
129.06981	0.4
129.53220	0.2
130.07727	0.2
131.04880	0.2
131.08546	0.2
132.60229	0.2
133.06503	0.3
133.10104	0.4
135.04390	0.7
135.08087	0.3
135.11681	1.1
137.02351	0.6
139.03848	0.3
145.06441	0.5
145.10075	0.5
147.04367	0.3
147.11676	0.2
149.02263	0.2
149.05959	0.3
151.03885	0.3
153.01781	1.2
153.05469	0.2
155.04842	0.2
159.08040	0.2
159.11661	0.2
161.05946	0.6
163.03854	0.3
165.05515	0.3
167.03545	0.2
169.04971	2.1
171.08060	0.7
173.05968	0.6
173.09579	1.9
175.11195	0.2
177.01944	0.2
177.05397	0.4
179.03459	0.2
187.03857	0.6
189.05429	0.7
191.03404	0.4
191.07063	0.5
195.06404	0.2
201.05510	1.0
201.12619	0.2
203.03354	2.2
203.10648	0.3
204.04106	1.2
205.04900	0.6
207.06546	0.3
207.10201	0.3
213.07582	0.4
217.04950	2.0
219.02960	0.3
219.06508	0.7
219.10126	0.8
219.13893	0.2
221.11639	0.3
229.04939	6.4
229.12207	0.3
230.05318	0.4
232.03664	1.2
233.04411	0.5
237.11142	0.8
242.02129	0.8
243.13698	0.3
245.04364	1.2
247.05997	1.3
257.04410	13.5
258.04788	0.6
260.03159	2.1
261.03882	2.6
271.13229	0.5
273.03931	0.5
275.05484	4.3
275.13196	0.2
283.13208	0.5
285.03934	2.0
287.01935	1.2
288.02606	18.7
289.02997	0.7
289.14328	0.8
291.15894	0.9
299.16312	0.3
301.03558	0.3
303.04953	100.0
304.05292	5.3
304.08594	0.4
306.97797	0.2
323.16461	0.3
341.17352	1.2
341.21112	0.8
359.11203	18.8
359.18527	1.8
359.22363	0.8
360.11536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1119
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
51.30697	0.3
52.66902	0.3
55.05489	0.5
59.04992	8.0
64.91580	0.3
69.07044	0.4
70.38687	1.2
71.67831	0.3
77.60207	0.3
79.46891	0.3
81.07031	0.6
91.05457	0.4
93.07001	0.8
95.08545	0.4
97.06476	0.3
101.61268	0.3
102.06801	0.3
105.06998	0.5
107.08538	0.4
109.06489	0.4
111.04374	0.4
120.31528	0.3
121.02838	0.5
121.10141	0.6
133.10109	0.4
153.05502	0.4
153.37776	0.3
181.04897	0.4
182.87141	0.3
193.16037	0.3
212.04605	0.6
221.75929	0.3
224.08200	0.4
237.09074	0.4
237.11232	0.6
239.06911	0.4
240.04182	1.9
240.07889	0.4
249.18578	0.7
253.08598	1.0
253.12070	0.3
261.03915	0.3
267.06375	0.5
268.03625	47.1
269.04025	2.5
269.08044	0.5
281.08502	0.3
281.11655	0.6
283.05963	100.0
284.06281	4.0
285.07587	0.4
285.11020	0.3
289.03329	1.8
299.12845	0.4
300.10031	0.4
313.03882	0.3
313.07025	1.7
313.10623	2.1
313.14352	2.0
317.03195	0.3
317.06537	1.1
318.05725	0.3
327.12170	2.1
331.15317	0.7
341.06549	3.1
341.10172	0.6
341.13791	1.1
359.07590	4.9
359.14667	3.2
359.18555	0.4
360.08026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0755
Annotation	Actaealactone
Peak:m/z	Relative Intensity
52.83657	0.6
53.03967	1.0
55.01862	5.0
55.05521	0.8
61.02910	0.6
65.03917	3.3
67.01884	0.7
67.05524	2.4
68.99436	0.7
68.99770	8.2
69.03417	4.7
69.07070	0.6
69.92017	3.3
70.06610	0.8
77.03919	0.6
79.05476	3.0
81.03398	8.1
81.07041	1.4
83.01302	0.7
83.04972	1.2
83.08604	0.7
85.02892	4.2
86.09740	1.9
91.05445	6.5
93.03385	3.1
93.07063	2.5
95.04959	3.9
95.08627	1.4
97.02889	3.9
98.20740	0.8
99.94188	0.5
103.05445	4.5
105.03397	1.2
105.07064	1.8
107.04927	4.0
107.08615	2.0
108.68243	0.6
109.02924	2.1
109.06503	1.0
109.10204	1.2
111.00842	1.4
111.04414	3.3
115.05494	1.9
119.04917	3.8
119.08575	1.0
121.02845	38.4
121.06524	1.8
121.10188	1.2
123.04472	2.2
123.08054	0.8
123.11732	1.4
127.03893	15.8
131.04915	7.4
133.02887	1.8
133.06520	0.9
133.10132	1.5
135.04401	4.7
135.08109	1.2
135.11726	1.1
137.02313	48.5
137.05997	2.5
138.02766	0.6
139.03909	1.2
141.01871	2.4
141.06985	1.1
141.70142	0.6
145.02869	0.8
145.04961	0.8
145.06509	0.9
147.04384	8.2
147.05438	0.8
149.02310	8.9
149.06035	2.7
151.03914	0.9
153.01796	9.3
153.05449	1.6
159.04399	1.4
161.02370	2.9
161.06000	2.4
161.09605	0.8
161.13257	1.3
162.03200	0.7
163.03883	11.0
163.07568	2.2
165.01810	12.6
165.03142	0.7
165.05528	1.4
167.03468	0.9
167.07101	1.1
169.06519	1.2
171.02963	0.9
171.04428	0.7
173.09671	1.9
175.03880	8.4
175.05205	0.8
175.07550	0.9
177.01833	3.1
177.05507	2.5
177.09149	0.9
178.99763	1.1
179.03404	3.7
179.07137	1.4
179.10608	3.9
179.14261	1.1
181.04991	3.6
181.06406	1.0
181.08626	0.7
183.02859	10.2
183.04350	0.9
185.05951	0.5
187.03879	3.3
187.07498	0.8
189.01781	12.9
189.05396	2.9
190.02513	1.9
191.03343	10.3
191.07040	0.9
193.01367	0.6
193.05035	1.0
195.02995	0.7
197.00797	4.3
197.06017	2.4
197.08064	1.6
197.11676	4.6
201.05421	0.9
202.02591	1.3
203.03358	22.7
205.01332	3.7
205.04950	3.2
205.08560	0.8
207.02846	11.7
208.09521	0.8
209.00853	0.9
213.05505	1.5
213.07602	0.9
215.03343	7.3
219.02844	6.9
219.10123	3.3
220.03654	1.1
221.04388	4.2
223.02400	4.2
225.05397	3.8
229.04964	1.9
231.02840	46.4
232.03270	1.3
233.04425	1.8
235.09720	0.8
237.11209	4.2
238.38879	0.6
239.03433	2.3
241.04857	1.0
243.06615	1.1
245.04315	0.9
249.03903	27.3
253.04987	6.5
255.02904	2.3
257.04416	3.9
257.11670	0.6
263.05579	1.3
267.04892	0.7
269.04425	0.8
271.06100	2.1
273.03882	15.4
274.04358	0.7
275.05429	15.0
281.04376	10.0
282.05280	0.8
285.03986	0.7
287.05502	1.5
289.03366	1.8
295.05930	2.6
297.03860	0.8
299.02264	0.6
299.05487	16.8
299.08859	1.4
301.07104	1.9
313.07004	8.5
315.05014	5.5
323.05426	5.0
329.06445	8.9
331.08118	1.5
341.06503	100.0
342.06851	3.2
359.07510	21.2
359.11157	0.9
359.17743	1.1
359.21967	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	359.0756
Annotation	Linderoflavone A
Peak:m/z	Relative Intensity
55.01852	0.4
55.05486	1.4
56.96532	0.4
57.03411	0.3
57.07054	0.9
57.97355	0.4
59.01324	0.3
61.02923	0.7
67.05485	1.3
69.03407	0.9
69.07047	1.1
70.06574	0.4
71.04980	1.7
73.42860	0.3
79.05464	0.9
80.30103	0.3
81.03401	0.6
81.07030	1.8
83.04961	0.6
83.08581	0.5
85.02892	0.8
85.06506	0.4
91.05445	1.1
93.07027	1.5
95.04938	0.8
95.08578	1.5
97.02863	0.4
103.05441	0.4
105.07039	1.7
107.08607	1.7
109.06515	0.5
109.10137	1.1
111.08056	0.5
117.06985	0.4
119.08558	1.2
121.06487	0.9
121.10114	1.2
123.04410	0.6
123.08044	0.8
123.11679	0.9
129.01892	0.8
129.07011	0.4
131.08578	0.4
133.10121	1.0
135.08040	0.6
135.11668	1.0
139.03882	1.0
143.08516	0.5
145.10069	1.1
147.11630	1.1
149.09605	0.4
151.07515	0.4
153.01848	0.4
157.01283	0.7
163.07446	0.6
163.11171	0.4
167.06979	0.4
173.06013	0.5
173.09576	2.1
175.11189	0.4
177.05420	0.4
177.09026	0.5
183.06491	0.4
187.03896	10.3
187.07436	0.3
191.10648	1.1
201.09061	0.4
203.03358	1.2
205.04915	1.0
205.08492	0.7
211.07466	0.4
213.07648	0.4
215.03384	5.9
219.10159	2.7
221.08022	0.6
231.02869	2.6
232.03596	1.1
233.04396	1.2
233.11713	0.4
237.11150	3.2
243.00375	0.8
243.02872	16.6
243.08836	0.4
244.03462	0.5
257.04367	1.1
259.02377	2.6
260.03125	13.5
261.03900	25.1
262.04129	0.6
267.09048	0.9
268.09253	0.4
269.04489	0.5
271.02548	2.7
271.05704	2.4
271.13303	0.6
272.03021	0.4
273.03854	0.5
273.10214	0.6
275.12872	0.4
283.06018	0.4
285.03888	0.7
285.07257	0.6
285.10208	1.8
286.10297	0.9
287.01846	4.6
287.05444	3.2
287.11505	0.7
288.02487	0.5
288.12012	0.4
289.03384	65.0
290.03714	1.5
295.05930	0.4
297.03671	0.4
298.04471	0.7
299.05511	1.5
299.08911	0.6
299.12503	0.4
308.11395	0.5
313.07007	5.6
313.18002	0.6
317.17245	0.4
326.07797	0.4
341.06445	4.3
341.10190	5.1
341.17285	1.0
341.21094	0.9
359.07544	100.0
359.17899	1.9
359.21912	3.8
360.08066	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	358.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67707	0.6
55.01854	1.6
56.05015	0.5
57.03415	1.3
59.14746	0.5
61.02913	1.6
67.05502	0.6
69.03423	2.9
70.06586	5.2
70.12459	1.2
70.12883	2.2
71.04985	0.7
72.08158	0.9
73.02908	2.4
73.06547	31.8
79.05471	0.6
81.03405	1.7
81.07036	0.6
84.04483	1.2
85.02893	12.6
86.09682	0.9
87.04464	0.9
87.39020	0.5
89.03907	0.5
89.06019	25.7
91.05446	1.0
91.07578	2.7
94.25452	0.5
95.04997	0.6
97.02885	3.6
99.08102	0.7
102.05567	0.6
105.07065	0.9
107.07055	0.7
107.08563	0.7
109.02862	1.5
113.05962	1.8
115.07558	0.8
116.07055	0.9
116.08334	1.1
117.09120	31.7
119.04972	0.9
123.04414	1.3
127.03907	2.3
132.08080	2.6
133.08597	13.0
135.04431	1.2
135.10156	1.0
136.04681	1.0
136.06189	0.8
137.02272	0.8
137.05934	0.9
145.04970	1.5
147.04396	0.9
151.07576	0.6
160.07582	2.9
162.07556	0.8
163.03888	3.9
163.07610	0.6
164.04208	3.1
165.04434	1.6
166.04665	1.6
167.06998	1.4
168.07375	0.7
178.08585	2.6
179.03300	0.6
179.12762	100.0
180.06416	0.7
180.13106	1.6
190.08630	4.6
191.07060	0.6
196.09729	0.8
199.10747	0.6
203.03291	1.0
219.10146	0.8
237.11185	1.2
279.10419	0.6
341.06509	1.0
352.99213	0.7
358.16122	4.5
358.20377	1.0
359.03116	0.5
359.16818	1.6
359.22403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2055
Annotation	Liphagal
Peak:m/z	Relative Intensity
52.11591	0.1
53.03923	0.2
55.01863	0.3
55.05513	0.7
57.03415	0.6
57.07066	4.3
65.03920	0.4
67.05498	2.2
69.03393	0.5
69.07038	0.6
69.78551	0.5
69.78980	0.6
70.06563	0.3
71.01311	0.1
71.04959	0.2
79.05477	1.9
81.06594	0.2
81.07039	2.0
83.00845	0.2
83.01321	3.3
83.01814	0.2
83.04938	0.5
83.83611	0.1
84.01633	0.1
85.02879	0.5
85.06528	2.5
87.92403	0.1
88.07587	0.5
91.05464	5.1
93.07031	3.0
95.04916	0.6
95.08591	6.4
96.08898	0.2
103.05420	0.2
105.07013	9.9
106.07321	0.3
107.04923	0.3
107.08573	12.8
108.08887	0.3
109.02833	0.3
109.06503	1.8
109.09415	0.2
109.10151	2.4
111.04390	0.4
115.05400	0.5
117.07010	0.9
118.07746	0.2
119.04904	1.0
119.05952	0.2
119.08558	1.4
121.02798	0.2
121.06451	1.1
121.10129	3.6
123.04385	0.2
123.08010	0.4
123.22138	0.1
127.03901	0.2
128.06253	0.1
129.06976	0.4
130.07736	0.3
131.08553	1.6
133.06429	0.4
133.10106	11.4
134.10396	0.2
135.04436	0.2
135.08020	2.1
135.11607	0.4
137.02292	0.2
137.05942	0.3
137.09500	0.1
139.03879	0.9
142.07741	0.3
143.08565	0.8
143.09450	0.1
145.06424	0.2
145.10085	2.6
147.07988	0.6
147.11690	1.3
147.88522	0.2
149.05954	1.2
149.09584	1.1
151.07501	0.4
153.01788	0.4
153.05434	1.0
155.03326	0.3
155.07060	0.1
155.08530	0.6
157.06441	0.3
157.10176	0.6
158.07216	0.4
159.08041	0.7
159.11577	0.2
161.05968	0.7
162.06683	0.3
163.03847	0.2
163.07501	2.0
163.11147	0.9
165.05437	1.3
165.06850	0.3
165.09116	0.3
167.03345	0.5
168.28584	0.1
169.04916	0.3
169.10023	0.2
171.08023	0.4
171.11620	0.2
173.09573	2.4
175.07539	1.0
175.09665	0.2
175.11162	3.5
176.08311	0.7
176.11478	0.2
177.05452	10.4
177.09067	8.3
178.05774	0.2
178.09410	0.4
179.03339	0.3
179.07051	0.7
180.09042	0.2
181.04875	1.0
181.08540	0.4
181.10066	0.3
183.08020	0.3
183.11676	0.2
185.09615	0.3
185.13226	0.4
186.06647	0.2
189.05467	0.3
189.09071	0.3
190.06134	0.4
191.07001	1.0
191.08946	0.3
191.10609	2.4
193.04817	0.2
193.08514	0.4
195.06403	0.8
195.08121	0.1
195.11670	0.5
197.13205	0.2
199.07573	0.2
199.11134	0.3
201.09079	3.0
202.09418	0.2
203.06947	0.6
203.10635	0.3
203.14229	0.2
204.07784	3.1
205.08466	0.6
207.06451	0.4
209.08014	0.8
209.09741	0.2
209.13301	0.3
211.07620	0.2
211.09608	0.5
212.08182	0.2
213.09100	0.6
213.12703	0.5
215.06985	0.3
215.10670	0.3
217.08527	0.6
217.12218	0.4
219.10126	47.9
220.10466	1.9
221.07846	0.2
221.11655	0.3
222.10373	0.2
223.11241	0.2
223.14711	0.3
225.09018	0.7
225.11195	0.6
227.10641	0.5
227.14316	0.3
229.08539	0.5
231.10191	0.6
231.13768	0.2
233.07906	0.2
233.11531	1.3
235.09546	0.3
237.11166	87.7
238.11504	3.6
239.07094	0.2
239.10608	0.3
240.11411	0.2
241.08536	0.8
241.12177	0.5
243.10139	0.7
245.07909	0.3
245.11679	0.8
247.13271	0.3
249.11183	0.6
251.12578	1.8
253.08516	0.4
254.09299	0.4
255.10104	0.8
255.13773	1.2
257.11752	0.6
259.09772	0.4
259.13181	0.5
261.16394	0.2
263.12766	3.9
265.12115	2.0
265.14575	0.2
267.10129	1.0
268.10883	2.1
269.11725	0.5
269.15329	0.4
271.09653	0.1
271.13107	0.3
273.11359	0.2
273.14709	1.0
275.12753	0.5
277.14462	0.7
279.13821	1.0
281.11743	0.8
282.12463	0.6
283.13260	7.9
283.16498	0.5
284.13571	0.5
285.14923	0.2
287.13211	0.2
287.16260	0.8
289.14392	0.3
291.13950	0.2
293.15240	0.2
293.18988	0.2
295.13190	0.3
296.13983	0.3
297.14832	4.1
298.15140	0.2
301.14297	4.3
301.17297	0.2
302.14877	0.4
303.17389	0.3
309.14813	0.3
311.16306	0.6
311.20013	0.5
315.15866	6.6
315.19550	0.4
316.16284	0.4
321.18365	1.2
324.16962	0.3
329.17603	1.0
339.19492	8.3
340.19662	0.7
344.92825	0.2
356.34875	0.3
357.20529	100.0
357.35193	2.0
358.20895	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	357.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01847	0.8
55.05499	1.1
57.03426	0.3
57.07073	1.6
65.03932	0.4
67.05494	2.1
68.99803	0.3
69.03419	1.1
69.07053	1.6
69.94686	0.7
69.95097	0.3
71.04975	0.6
79.05479	1.7
81.03398	0.6
81.07044	5.0
83.01323	2.5
83.01823	0.1
83.04969	0.4
83.08589	0.2
85.02892	0.2
85.06525	0.3
91.04934	0.2
91.05470	2.9
93.03364	0.2
93.07025	3.7
95.04962	0.8
95.08591	2.8
98.20732	0.3
99.00787	0.1
102.72115	0.1
103.05441	0.1
105.07005	2.9
107.08575	6.2
107.27183	0.1
108.08962	0.2
109.02856	1.8
109.06499	4.1
109.10139	2.9
110.06877	0.3
111.04441	0.2
117.06985	0.3
119.04917	0.7
119.08552	0.9
121.06477	0.6
121.10132	1.1
123.00819	0.2
123.04401	0.6
123.08051	0.3
123.11688	20.0
124.12006	0.5
127.03892	1.6
127.07501	0.2
129.06985	0.3
129.46527	0.1
130.07732	0.2
131.08531	0.6
133.06482	0.2
133.10109	3.2
135.04420	0.2
135.07996	0.9
135.10632	0.2
135.11668	4.2
137.02319	1.2
137.05957	6.3
137.09573	0.2
139.03880	0.5
141.01799	1.1
141.05443	0.6
143.08537	0.3
145.10114	0.8
147.04480	0.2
147.08060	0.3
147.11665	0.6
149.05939	0.3
149.09584	0.3
151.03879	1.6
151.07506	0.9
153.05455	3.4
155.03389	0.7
157.10118	0.4
159.08075	0.3
161.02292	0.2
161.05956	0.2
161.09624	0.2
162.06717	0.2
163.07549	1.2
163.11180	0.3
165.05446	100.0
166.05783	2.7
167.03389	0.3
167.07034	1.1
167.08290	0.2
169.05002	0.4
173.09583	0.7
175.07487	0.4
175.11160	1.0
176.08359	0.4
177.05493	0.8
177.09077	1.7
179.03369	30.4
179.06961	8.2
180.03706	0.9
180.07372	0.3
181.04988	0.3
183.06522	0.3
185.09589	0.4
185.13246	0.2
187.11362	0.2
188.08228	0.2
189.05421	0.5
189.09074	0.5
190.06245	0.3
191.03320	0.4
191.07065	0.9
191.10622	0.9
193.04950	1.6
193.08566	0.6
193.15898	0.2
195.10133	0.2
195.11681	0.2
197.04425	16.6
198.04811	0.4
199.11028	0.2
201.09050	0.7
203.03326	0.3
203.07014	1.5
203.10590	0.3
204.07748	0.2
205.05090	0.2
205.08548	2.4
207.06566	0.2
207.10187	1.0
211.11214	0.2
213.09061	0.3
213.12653	0.2
217.04921	1.6
217.08461	0.8
217.12183	0.3
219.06560	0.4
219.10124	8.6
220.10468	0.4
221.08089	0.3
223.09581	1.2
225.09012	0.2
227.10568	0.3
229.08591	0.3
229.12317	0.2
231.06540	0.3
231.10123	5.0
232.10591	0.3
233.11630	0.4
235.09612	51.6
236.09924	2.1
237.11177	7.7
238.11635	0.3
239.10652	0.3
241.12190	0.2
241.15741	0.2
243.10138	0.4
244.10950	0.2
245.07990	0.7
245.11620	0.9
247.09575	0.2
249.11108	1.2
251.12695	0.2
253.12161	0.2
255.10150	0.2
255.13582	0.3
257.11661	0.2
259.09546	0.9
261.11221	0.2
263.12814	0.8
268.10852	0.3
269.12448	0.2
269.15329	1.4
271.13065	0.3
273.11206	1.8
273.14481	0.3
275.12714	0.3
277.14532	0.3
279.13885	0.4
283.13251	0.9
287.16367	77.7
288.16693	4.3
292.14642	0.2
297.14749	0.8
297.18100	0.3
301.14297	2.7
311.19897	0.2
315.15915	1.3
321.18469	0.6
329.17462	0.2
339.15805	0.1
339.19479	3.5
357.20541	48.7
357.35135	0.9
358.20926	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	357.2053
Annotation	Liphagal
Peak:m/z	Relative Intensity
53.03926	0.2
55.01861	8.5
55.05494	0.4
57.03418	0.5
57.07053	0.4
58.94909	0.1
67.05495	1.1
68.99770	0.3
69.03407	0.3
69.07053	0.8
69.56165	1.4
79.01900	0.2
79.05471	0.5
81.03397	0.2
81.06615	0.2
81.07044	1.9
83.00848	0.3
83.01315	2.6
83.04967	1.4
85.06543	0.2
91.05461	0.6
93.07032	1.7
95.04960	1.0
95.08581	0.7
105.07025	1.1
107.08575	2.0
109.02858	0.5
109.06496	0.3
109.10130	1.2
110.90010	0.1
119.08560	0.4
121.10100	0.3
123.00761	2.1
123.04402	1.6
123.08026	0.3
123.11688	5.5
127.03895	0.2
131.08508	0.2
133.10083	0.5
135.04370	0.2
135.08028	0.2
135.11673	1.8
137.02345	1.0
137.05965	0.2
139.83870	0.1
141.01791	1.3
143.08591	0.2
144.74522	0.1
145.10081	0.3
147.07968	0.2
147.11679	0.3
149.09589	0.2
151.03880	2.5
151.07507	0.2
153.05359	0.3
155.03365	0.5
161.02290	0.3
161.09589	0.2
163.07529	0.2
165.05450	5.0
165.09125	0.2
166.05774	0.2
167.03360	0.8
169.04939	5.1
170.05319	0.2
173.09584	0.3
175.07524	0.2
175.11148	0.3
177.05458	0.2
177.09033	0.2
179.03363	100.0
180.03719	2.4
181.04973	0.2
184.69235	0.1
189.05458	0.2
189.09109	0.3
191.06940	0.2
191.10620	0.2
193.04904	2.0
193.08626	0.2
197.04422	12.2
198.04782	0.3
199.07506	0.2
201.08905	0.2
203.03375	0.4
203.06900	0.2
205.08517	0.2
211.05890	0.1
215.10643	0.3
217.04984	0.9
217.08571	0.9
219.06532	0.3
219.10068	0.7
220.06052	0.5
221.08145	0.4
223.09615	1.6
231.10158	0.3
233.08018	0.1
235.09607	95.5
236.09953	3.2
237.05388	0.2
237.11189	0.6
245.08055	0.5
249.11200	1.5
257.11716	0.1
259.09537	0.7
263.12918	0.2
269.15033	0.1
273.11188	0.8
275.12897	0.2
283.13306	0.4
287.13260	0.2
287.16336	3.0
289.14392	0.2
297.14853	0.2
301.14276	2.2
307.86313	0.2
313.21579	0.5
315.15930	0.2
339.19507	0.9
357.20535	88.7
358.20895	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	357.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01859	0.5
55.05493	0.8
55.70414	0.3
56.40126	0.3
57.03428	0.4
57.07050	1.2
63.59951	0.3
65.03922	0.4
67.05489	1.6
69.03410	1.1
69.07049	0.7
69.77517	2.0
69.77840	0.2
71.04972	0.8
76.90567	0.2
79.05481	1.4
81.03411	0.8
81.07041	4.3
82.88103	0.3
83.01328	1.9
83.04954	0.3
84.54331	0.3
85.06514	0.3
86.05504	0.2
91.05479	2.5
93.07043	3.0
95.04942	0.9
95.08592	2.8
105.07019	3.3
107.04933	0.3
107.08588	4.1
107.71416	0.2
109.02874	1.7
109.06516	4.0
109.10115	2.4
112.45891	0.2
117.07012	0.3
119.04900	0.9
119.08567	1.4
121.06469	0.3
121.10123	1.1
123.04399	0.5
123.11689	13.9
125.06046	0.3
127.03889	1.3
127.40420	0.2
129.06924	0.4
131.08531	0.8
133.06485	0.3
133.10103	4.1
135.08026	0.5
135.11641	1.4
137.05969	5.9
139.03854	0.7
141.05482	0.7
145.10072	0.7
147.08008	0.6
147.11670	0.9
149.05937	0.4
149.09610	0.4
151.07521	1.0
151.71675	0.3
153.05460	4.4
158.07315	0.3
159.08183	0.3
161.06009	0.3
161.09470	0.4
163.07523	1.1
163.11267	0.5
165.05455	100.0
166.05759	2.5
167.07001	1.3
173.09590	0.9
175.07553	1.1
175.11165	1.5
177.05499	1.2
177.09093	1.4
179.03410	0.6
179.07010	8.8
180.07437	0.3
183.06548	0.4
185.09721	0.3
187.10999	0.3
189.05446	0.4
189.09158	0.4
191.07005	1.1
191.10614	1.1
193.08597	0.7
193.16025	0.3
195.10138	0.5
201.09065	0.5
203.07108	1.5
203.10641	0.4
204.07701	0.4
205.08559	2.5
207.10132	3.7
217.08557	1.3
219.10144	8.9
220.10466	0.6
223.14836	0.3
225.25502	0.3
227.10654	0.8
229.08749	0.4
231.10130	4.2
235.09660	1.2
237.11180	8.9
238.11484	0.5
243.10188	0.6
245.11641	1.4
257.11646	0.5
259.16895	0.3
263.12735	0.8
269.15363	1.5
271.13184	1.8
273.14948	0.3
277.14322	0.8
283.13168	0.7
287.16376	87.2
288.16696	5.0
297.14767	0.9
301.14148	0.4
311.19772	0.3
315.15924	1.5
321.18533	0.4
339.19534	3.0
357.20547	26.7
358.20715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2054
Annotation	Liphagal
Peak:m/z	Relative Intensity
51.19187	0.2
53.03927	0.3
55.01863	3.6
55.05502	0.9
57.03427	3.0
57.07067	2.7
65.03905	0.3
67.05490	2.5
68.99788	0.2
69.03419	0.7
69.07056	1.0
71.04968	0.2
77.03922	0.3
79.05476	2.4
81.03398	0.5
81.07041	10.5
83.01315	0.5
83.04955	0.2
85.06540	0.3
91.05457	3.8
91.06032	0.2
93.03397	0.2
93.07024	3.8
95.04958	0.5
95.08582	2.6
103.05441	0.4
105.03399	0.2
105.07011	5.8
107.01296	0.7
107.04929	1.2
107.08575	4.9
108.48352	0.1
109.02873	0.6
109.06492	1.0
109.10131	3.7
111.04424	0.3
115.05440	0.6
116.06256	0.2
116.07056	0.1
117.07006	1.7
119.04916	1.0
119.08565	2.9
120.28561	0.2
121.02854	0.3
121.06490	1.1
121.10118	4.4
122.10867	0.2
123.04448	0.2
123.08081	0.8
123.11681	33.2
124.12014	0.7
128.06197	2.7
128.07062	0.3
129.06982	1.0
130.07750	0.4
131.04959	0.3
131.08543	2.3
133.02818	0.2
133.06470	2.1
133.10100	3.5
135.04424	1.8
135.08023	10.1
135.11667	4.2
135.12534	0.1
136.08398	0.2
137.02324	2.0
137.05931	0.3
137.09634	0.2
141.06935	0.2
143.04893	0.2
143.08531	4.8
145.06465	2.4
145.10107	0.5
146.07214	1.0
147.04364	1.7
147.08022	3.5
147.11664	0.9
149.05975	0.4
149.09589	8.0
149.13234	0.6
150.09895	0.2
151.03873	2.8
151.07536	0.2
153.01894	0.2
153.05470	0.2
153.06990	0.2
155.05952	0.2
155.08539	0.2
156.09241	0.2
157.06487	0.4
159.04440	0.4
159.08064	0.4
160.05182	0.5
161.05966	3.0
161.09590	7.5
162.06517	0.2
162.09882	0.2
163.03874	4.6
163.07523	1.7
165.05486	1.4
171.08000	3.8
173.05885	0.8
173.09602	0.6
174.06728	3.0
175.03914	3.1
175.07512	15.2
175.10890	0.3
176.07907	0.3
177.05432	0.7
177.09061	0.5
179.03374	2.7
179.06982	0.2
181.04939	0.6
184.05154	0.2
185.09601	0.2
187.07510	0.4
188.04674	0.5
189.05489	1.2
189.09071	16.6
190.09413	0.4
191.07027	1.6
193.04953	0.6
193.08513	0.2
195.11543	0.1
197.04384	0.8
199.07512	5.0
200.07756	0.2
201.05484	0.2
201.09056	0.3
202.06219	0.5
203.06918	0.3
203.10582	0.3
205.08524	1.7
209.08041	1.7
211.11407	0.2
213.09134	0.3
213.12665	0.9
215.10664	0.3
216.07542	0.2
217.08559	100.0
218.08911	2.9
219.10083	1.3
219.11827	0.2
223.09554	1.9
227.07208	0.2
229.08589	0.3
231.10117	1.8
231.13773	0.3
235.09601	88.0
236.09930	2.7
236.12166	0.2
237.11058	0.9
241.08467	0.4
243.10184	0.4
245.11568	0.2
249.11133	0.4
251.10535	0.2
253.10672	0.6
255.10176	0.7
255.13727	0.4
257.11594	0.6
259.13193	0.5
261.11313	0.2
269.11832	0.2
273.11368	0.4
273.14798	1.5
275.12677	0.4
276.12137	0.2
279.13925	0.2
283.13229	1.2
287.16370	0.6
297.14746	0.5
301.14340	0.5
311.19809	0.3
315.15820	0.2
321.18475	1.9
325.42740	0.2
329.21075	0.5
339.19485	7.7
340.19614	0.5
357.20526	67.0
358.20877	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	357.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01862	0.5
55.05492	0.3
57.03417	0.6
57.07061	1.1
65.03899	0.2
67.05491	1.2
69.03400	0.6
69.07045	0.7
71.04962	0.6
71.49918	0.3
79.05468	1.5
81.03400	0.8
81.07042	4.4
83.01324	1.1
85.06532	0.3
86.44983	0.2
91.05461	2.2
93.07025	1.5
95.04934	0.3
95.08594	2.0
105.07011	2.8
107.04911	0.3
107.08582	3.9
109.02855	1.6
109.06506	3.8
109.10136	2.4
111.31511	0.2
117.06992	0.4
119.04911	0.6
119.08551	0.8
121.06445	0.3
121.10098	1.2
123.04416	0.3
123.11684	13.6
124.12028	0.5
127.03873	1.6
128.06206	0.4
129.06976	0.3
131.08549	0.7
133.06458	0.2
133.10120	3.6
135.04416	0.2
135.08051	1.1
135.11671	2.1
137.05957	6.1
137.07013	0.3
137.09579	0.3
139.03868	0.7
143.08527	0.5
145.10129	0.6
147.04379	0.4
147.08015	0.4
147.11626	0.7
149.05922	0.2
149.09563	0.8
149.13264	0.2
151.03897	0.2
151.07520	0.6
153.05464	3.1
157.10178	0.3
159.08078	0.2
161.05957	0.5
161.09593	0.6
163.03880	0.4
163.07524	1.4
163.11177	0.2
165.05444	100.0
166.05769	2.6
167.06972	1.3
171.07986	0.2
173.09648	0.4
174.06783	0.3
175.03879	0.4
175.07533	1.4
175.11185	1.1
175.14796	0.3
176.08286	0.2
177.05530	0.8
177.09048	1.1
179.03479	0.2
179.07010	4.5
185.09608	0.3
187.07616	0.3
189.05411	0.3
189.09048	1.2
191.06984	0.7
191.10635	0.7
192.48657	0.2
193.08485	0.3
193.15741	0.2
196.40959	0.2
199.07419	0.4
201.09036	0.6
203.06985	1.1
203.10565	0.4
205.08554	1.5
207.10147	1.0
209.07938	0.3
213.09035	0.4
213.12677	0.3
217.08559	6.4
217.11824	0.2
218.08937	0.2
219.10127	6.6
220.10484	0.3
227.10487	0.3
231.10103	3.3
233.11624	0.4
235.09610	5.5
237.11168	6.5
238.11609	0.3
243.10164	0.3
243.13515	0.2
245.11690	0.7
255.13771	0.3
257.11740	0.2
259.13510	0.2
263.12817	0.6
268.10782	0.2
269.15277	1.1
271.13199	0.7
273.14951	0.3
283.13226	0.9
287.16367	77.9
288.13559	0.3
288.16699	3.6
297.14865	1.0
301.14328	0.4
311.20145	0.2
315.15948	0.7
321.18359	0.7
339.19473	3.0
357.20535	25.3
358.21027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2057
Annotation	Liphagal
Peak:m/z	Relative Intensity
53.03930	0.3
55.01857	0.5
55.05505	1.0
57.03429	1.7
57.07069	5.4
61.56046	0.2
62.18989	0.2
65.03912	0.6
67.05500	3.0
68.73495	0.2
69.03403	0.7
69.07038	0.7
70.05835	1.2
79.05051	0.2
79.05479	3.1
81.07047	2.8
83.00862	0.3
83.01324	4.1
83.04960	0.5
85.02879	0.5
85.06525	1.9
91.05470	7.1
93.07037	3.6
95.04939	0.7
95.08594	6.4
95.09206	0.3
96.08905	0.2
100.54567	0.2
103.05406	0.4
105.07018	14.5
106.07301	0.2
107.04924	0.6
107.08581	17.0
108.08910	0.3
108.35753	0.2
109.02866	0.3
109.06516	2.3
109.10145	2.8
111.04392	0.3
111.07969	0.2
113.66425	0.2
115.05386	0.4
117.06969	0.9
119.04939	1.2
119.06022	0.3
119.08565	2.1
121.06497	1.3
121.10128	3.0
121.14938	0.2
123.04367	0.2
123.08041	0.5
123.11690	1.3
125.05939	0.2
127.03848	0.2
127.07518	0.5
128.06230	0.3
129.06973	0.5
130.07803	0.2
131.08557	2.1
131.60162	0.2
133.06415	0.5
133.10115	15.6
134.10460	0.4
135.04358	0.3
135.08034	2.0
135.11661	0.9
137.05949	0.9
137.09622	0.5
139.03870	0.5
141.06943	0.3
142.07721	0.4
143.08582	0.9
145.06519	0.4
145.10098	2.6
146.07253	0.3
147.07993	0.6
147.11679	1.5
149.05978	1.0
149.09576	1.2
151.03987	0.2
151.07495	0.2
153.05466	1.1
153.06567	0.2
155.08537	0.5
157.10127	0.8
158.07272	0.4
159.08032	0.7
159.11661	0.4
159.64914	0.2
160.08786	0.2
161.05975	0.9
161.09616	0.4
162.06734	0.8
163.03909	0.3
163.07513	2.8
163.11171	1.3
165.05464	7.4
165.09045	0.5
166.05920	0.2
167.07053	0.3
169.10162	0.3
171.06602	0.2
171.08044	0.6
171.11632	0.4
173.09583	3.3
175.07515	1.4
175.11157	4.7
175.12646	0.2
176.08351	1.2
177.03995	0.3
177.05484	4.1
177.09084	7.1
178.06161	0.3
178.09369	0.3
179.03365	0.7
179.06927	0.7
181.04958	0.8
181.08603	0.3
181.10133	0.2
183.07948	0.2
183.11678	0.3
185.09549	0.3
185.13211	0.6
187.07520	0.3
189.09116	0.8
189.12706	0.2
190.06313	0.4
191.07042	1.8
191.10643	4.1
193.08516	0.4
193.42459	0.2
195.06508	0.2
195.08096	0.2
195.11711	0.5
199.11159	0.4
201.09073	2.8
203.07018	0.8
203.10637	0.9
204.07806	1.6
205.05017	0.4
205.08594	1.9
205.12155	0.4
206.09317	0.4
207.06464	0.4
207.10118	0.8
209.07996	0.5
209.09782	0.3
209.13396	0.4
211.09512	0.3
213.09082	0.5
213.12706	0.7
215.06870	0.3
215.10538	0.3
217.08521	0.7
217.12206	1.0
219.10138	41.8
220.10460	1.5
223.11111	0.5
223.14883	0.4
225.09084	0.6
225.11137	0.3
226.09805	0.3
227.10646	0.7
227.14316	0.3
229.08618	0.4
231.10106	0.7
231.13831	0.4
233.11577	1.9
235.09586	2.6
237.11172	45.5
238.11493	1.7
239.10545	0.6
240.11504	0.3
241.08446	0.4
241.12177	0.4
243.10043	0.9
244.10867	0.2
245.08028	0.4
245.11642	1.9
247.13168	0.3
249.11215	0.6
251.10510	0.4
251.12445	1.1
253.12332	0.3
254.09212	0.4
254.12964	0.3
255.10144	0.9
255.13757	1.1
257.11667	0.8
259.13245	0.8
261.16498	0.3
263.12714	4.8
264.11105	0.3
264.15210	0.3
265.12210	0.8
265.15952	0.3
265.19519	0.4
267.10309	0.5
267.13666	0.2
268.10904	1.1
269.11746	0.7
269.15372	0.9
271.13272	0.5
272.13989	0.3
273.11389	0.4
273.14832	1.4
275.12711	0.4
275.17841	0.2
277.12131	0.8
277.14374	0.6
278.13040	0.2
278.16815	0.2
279.13766	0.8
281.11710	0.8
282.12402	0.7
283.13287	5.1
283.16663	0.4
284.13696	0.5
287.16409	4.3
291.13638	0.7
292.14572	0.9
293.15271	0.6
293.18936	0.7
295.13431	0.9
297.14877	4.8
297.18170	0.3
298.15045	0.2
301.14243	2.7
303.17487	0.3
306.16190	0.5
309.14780	0.7
310.15573	0.6
311.16342	0.8
311.20020	0.8
315.15887	6.5
316.16205	0.3
321.18420	2.4
324.16992	0.3
329.17517	1.2
339.19513	13.5
340.19733	1.0
357.20554	100.0
358.20877	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2055
Annotation	Kuguacin M
Peak:m/z	Relative Intensity
52.54724	1.3
55.01854	3.3
55.05492	2.9
57.07049	1.5
59.04948	1.9
60.96235	1.2
67.01827	1.5
67.05496	7.4
69.03429	7.3
69.07060	33.3
69.96107	9.2
79.05475	5.6
81.06165	1.1
81.07048	10.7
83.01324	5.6
83.04951	2.4
91.05463	7.2
93.07028	12.7
95.04949	2.2
95.08598	20.3
97.06538	1.4
99.00826	1.5
105.07015	18.7
107.08576	19.2
109.06522	1.7
109.10136	18.5
111.04445	2.0
117.07006	3.4
119.08597	9.8
121.06505	2.7
121.10130	62.2
121.92519	1.3
122.10922	2.8
123.04424	1.9
123.08026	4.2
123.11694	16.1
125.05982	3.5
125.09583	2.2
128.06212	1.7
129.06952	2.9
130.07761	2.5
131.08548	5.0
133.06480	3.0
133.10104	17.4
135.08028	8.5
135.11670	17.5
137.05945	3.1
137.09589	5.0
139.02856	2.4
139.03885	32.4
142.07756	2.1
143.08539	4.4
145.10106	13.5
146.07271	2.2
146.10841	1.4
147.11642	4.1
149.06009	1.7
149.09622	6.6
151.03856	4.4
151.07520	1.8
153.05457	15.7
153.09010	2.1
155.08459	1.9
157.10120	6.9
159.08063	1.4
159.11710	6.6
161.09628	8.9
163.07524	4.5
163.11176	2.4
165.05496	3.3
165.06856	1.2
167.03447	1.3
167.07135	1.6
169.04927	6.7
169.10152	2.2
171.08014	2.6
171.11713	1.8
173.09563	8.9
173.54001	1.4
175.07516	1.5
175.11157	10.4
177.05502	1.9
177.09152	2.1
177.12756	2.1
179.03375	12.4
179.06934	1.3
179.10695	1.6
181.08562	5.4
185.08040	1.5
185.09532	3.2
185.13103	1.6
185.38242	1.2
187.07454	1.3
187.11201	3.6
188.49474	1.3
189.09041	12.5
191.07062	1.8
191.10638	6.6
193.05066	2.1
197.04395	1.9
197.13228	2.2
199.14720	2.5
201.09113	2.6
203.10649	19.8
205.08514	2.5
207.10071	2.2
209.13318	1.9
211.07451	1.5
212.54242	1.7
213.12813	2.7
215.14256	1.7
215.74063	1.4
217.08582	13.3
219.10161	3.8
221.11736	1.9
225.12755	3.5
227.10712	2.5
227.14151	6.2
229.08524	3.0
231.10100	2.0
234.94695	1.3
235.09613	20.5
239.14290	1.9
243.13757	12.2
253.12129	2.9
255.13756	13.4
261.14865	3.6
269.15338	1.6
271.13269	19.4
273.14832	13.1
281.15054	1.8
283.13278	2.3
283.20508	2.9
287.16345	2.5
289.14368	8.6
293.18973	6.1
299.16254	2.6
311.16693	2.8
311.20029	25.2
311.23685	1.7
321.18558	5.2
329.17297	2.3
329.21063	28.4
339.15744	2.6
339.19513	26.4
357.20563	100.0
358.20850	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	357.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.1
53.03934	0.3
55.01881	0.4
55.05488	0.2
57.03414	0.2
57.07060	0.2
59.07538	0.1
64.77084	0.1
65.03953	0.1
67.05505	0.5
69.03408	0.2
69.07056	0.3
69.62041	0.7
69.62460	0.3
71.04974	0.3
77.03943	0.2
79.05480	0.7
81.03400	0.7
81.07046	3.0
83.01331	0.4
91.05474	0.9
93.07048	0.6
95.04956	0.3
95.08586	0.7
99.14040	0.1
105.07018	0.6
107.08581	1.1
109.02878	1.4
109.03546	0.2
109.06509	3.1
109.10149	1.1
117.07010	0.1
119.04922	0.3
119.08606	0.3
121.06480	0.1
121.10153	0.5
123.11692	13.5
124.12049	0.3
125.09576	0.1
127.03898	1.4
127.07442	0.1
133.10085	0.4
135.08032	0.5
135.11671	1.5
137.05963	6.1
139.03903	0.2
139.39067	0.1
141.05458	0.1
141.43596	0.1
142.07780	0.1
143.08554	0.1
147.04424	0.3
147.08043	0.2
147.11671	0.3
149.09686	0.2
149.13242	0.2
151.07535	0.4
153.05470	1.9
154.06003	0.1
157.10086	0.1
161.05986	0.2
161.09627	0.2
163.07529	1.0
163.25307	0.1
165.05458	100.0
166.05794	2.4
166.07211	0.2
167.06984	0.7
171.08037	0.2
175.07574	0.6
175.11128	0.1
177.05423	0.3
177.09033	0.1
179.03450	0.2
179.07002	0.8
185.09566	0.2
189.09116	0.6
191.07027	0.2
193.15863	0.3
199.07567	0.1
203.07034	0.3
203.10655	0.3
205.08525	0.6
207.10205	0.2
213.09050	0.3
217.08557	1.6
219.10091	0.6
223.09518	0.2
227.10530	0.3
231.10120	1.6
235.09604	0.8
237.11177	0.3
241.08653	0.2
241.12282	0.2
245.11736	0.2
249.11180	0.3
255.10211	0.2
255.52911	0.1
257.11777	0.1
269.15356	1.2
271.13208	0.2
273.11111	0.1
283.13132	0.6
287.16382	75.1
288.16705	4.6
301.14310	0.3
339.19513	1.1
357.20557	9.5
358.20853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
54.08261	0.2
55.01864	0.8
55.05502	0.8
57.03423	1.0
57.07068	1.7
57.34370	0.2
58.95974	0.2
65.03924	0.4
67.05487	1.6
69.03398	0.5
69.07059	1.3
71.04978	0.3
77.03935	0.2
79.05473	2.0
81.03397	0.6
81.07039	5.5
83.01318	1.3
83.04963	0.3
85.02894	0.2
85.06534	0.3
91.05459	3.3
93.07026	2.3
95.04932	0.5
95.08591	2.1
105.07007	4.5
107.04916	0.3
107.08572	6.0
109.02870	1.6
109.06493	4.3
109.10138	3.2
117.06979	0.7
119.04935	0.6
119.08591	0.9
121.06507	0.6
121.10122	2.1
123.04407	0.3
123.08085	0.4
123.11682	19.4
124.12008	0.5
127.03862	1.3
127.07555	0.3
128.06207	0.7
129.06970	0.4
130.07765	0.3
131.08571	1.0
133.06482	0.5
133.10097	5.7
134.60243	0.2
135.04381	0.3
135.08028	2.9
135.11653	2.6
137.02345	0.4
137.05956	6.4
139.03867	0.5
142.07739	0.2
143.08517	1.1
145.06570	0.4
145.10071	0.8
147.04376	0.7
147.08067	0.9
147.11671	0.6
149.05928	0.4
149.09583	1.8
151.03807	0.4
151.07500	0.6
153.05463	2.3
155.08459	0.2
159.11711	0.2
161.05946	1.1
161.09586	1.5
163.03886	0.9
163.07550	1.8
163.11176	0.2
165.05444	100.0
166.05792	2.0
167.07050	0.8
171.08032	0.7
171.11702	0.3
173.09634	0.9
174.06734	0.5
175.03888	0.7
175.07532	3.1
175.11208	0.6
176.08334	0.2
177.05458	0.7
177.09064	1.7
179.03377	1.4
179.06990	1.6
181.05055	0.2
183.06534	0.2
185.09541	0.2
186.45667	0.2
189.05434	0.5
189.09087	3.1
190.06314	0.2
191.07016	1.1
191.10641	1.1
193.08650	0.3
197.04448	0.4
199.07484	1.3
201.09093	0.7
203.06989	0.5
203.10583	0.6
203.14375	0.2
204.07765	0.3
205.08505	1.4
207.10158	0.8
209.08043	0.4
213.09003	0.4
215.10518	0.3
217.08559	19.3
218.08934	0.8
219.10129	8.3
220.10455	0.4
223.09592	0.4
225.09035	0.3
227.10674	0.3
229.08575	0.4
231.10123	1.5
231.13811	0.2
233.11600	0.5
235.09604	17.3
236.09924	0.5
237.11153	4.7
241.08499	0.4
243.10124	0.5
245.11574	0.9
245.15372	0.2
249.11107	0.3
255.10216	0.2
257.11746	0.7
259.13208	0.3
263.12918	0.2
269.12097	0.2
269.15335	1.2
271.13300	0.3
273.14853	2.3
277.14639	0.2
281.11789	0.2
283.13275	0.8
287.16360	71.7
288.16711	3.3
295.13235	0.5
297.14862	1.0
301.14401	0.8
309.14798	0.5
311.19922	0.3
315.15833	0.5
321.18454	0.6
339.19495	5.1
340.19992	0.3
357.20529	43.6
358.20850	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98787	0.1
53.03930	0.3
55.01857	0.4
55.05493	0.2
57.07055	0.3
65.03935	0.2
67.05495	0.8
69.03423	0.2
69.07054	0.4
69.72566	0.7
71.04979	0.4
79.05462	0.8
81.03401	0.5
81.07040	3.0
83.01328	0.4
91.05450	0.9
93.07037	0.5
95.04949	0.3
95.08585	0.5
105.06984	0.5
107.08578	0.9
109.02855	1.5
109.06493	3.2
109.10137	2.2
119.04961	0.4
119.08566	0.2
121.06433	0.1
121.10108	0.6
123.04385	0.1
123.11681	11.7
124.12067	0.2
127.03886	1.2
133.10069	0.3
135.08020	0.2
135.11659	1.8
137.05951	5.3
137.09592	0.2
138.06357	0.1
139.03876	0.3
145.10051	0.1
147.04387	0.4
147.08005	0.1
147.11662	0.2
151.07498	0.7
153.05457	1.7
163.07532	0.8
165.05443	100.0
166.05772	2.1
167.06979	0.8
177.05458	0.3
179.03386	0.5
179.07019	1.2
183.06534	0.1
185.09669	0.1
189.09134	0.2
191.07031	0.3
191.10670	0.1
193.08556	0.4
193.15894	0.2
197.04512	0.1
203.07019	0.1
205.08585	0.3
207.10168	0.3
217.08566	0.2
223.09636	0.1
227.10596	0.2
231.10109	0.3
234.08879	0.1
235.09584	1.6
245.11618	0.2
257.15939	0.1
269.15286	1.0
271.13260	0.2
273.63184	0.1
287.16357	72.9
288.16690	3.1
339.19452	0.3
357.20508	4.6
358.20892	0.3
358.66391	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	357.2053
Annotation	Liphagal
Peak:m/z	Relative Intensity
53.03923	0.2
55.01862	0.3
55.05503	0.9
57.03424	2.6
57.07066	3.7
65.03909	0.4
67.05186	0.2
67.05491	2.3
69.03391	0.6
69.07034	0.5
69.64294	0.6
69.64736	0.6
77.03937	0.2
79.05479	1.8
81.07036	2.1
83.01324	5.1
83.04935	0.4
85.02865	0.6
85.06178	0.1
85.06531	1.1
91.05460	4.7
93.07027	2.5
95.04928	0.6
95.07999	0.3
95.08590	5.1
103.05391	0.2
105.03333	0.1
105.07011	9.5
106.07318	0.2
107.04917	0.5
107.08569	10.7
108.08882	0.3
109.06501	1.6
109.10133	2.0
111.04411	0.4
115.05396	0.3
116.06182	0.2
117.07020	1.0
119.04904	1.2
119.06039	0.3
119.08550	1.4
121.06477	0.8
121.10123	3.8
123.04429	0.2
123.08038	0.4
123.11706	0.3
127.07517	0.6
129.06955	0.6
130.07732	0.3
131.08545	1.8
133.06448	0.6
133.10103	11.4
134.10423	0.2
135.08037	3.0
135.11652	0.5
137.05960	0.7
137.09578	0.3
139.03899	0.9
141.06924	0.2
142.07753	0.4
143.08574	1.0
145.06462	0.3
145.10100	2.8
147.04303	0.2
147.07997	0.5
147.11649	1.5
149.05948	1.0
149.09595	1.8
151.07503	0.3
153.05440	1.1
153.06581	0.2
155.08528	0.8
157.06490	0.2
157.10092	0.5
158.07237	0.5
159.08051	0.7
159.11633	0.3
161.05942	1.0
162.06708	1.3
163.07526	4.0
163.11169	1.5
165.05518	1.2
165.06836	0.3
165.09111	0.4
167.08475	0.1
169.10138	0.2
171.07993	0.3
171.11664	0.2
173.09579	3.9
174.10052	0.2
175.07509	1.1
175.11156	3.7
176.06900	0.2
176.08295	1.7
176.11551	0.2
177.05551	0.9
177.09077	9.4
178.09344	0.3
179.03424	0.2
179.06987	0.3
179.08554	0.2
181.08546	0.3
181.09976	0.2
183.11638	0.2
185.09546	0.4
185.13173	0.4
186.06660	0.3
187.07402	0.3
187.11128	0.2
187.14778	0.2
189.05406	0.2
189.09023	0.6
190.06194	0.9
190.09808	0.2
191.07043	1.5
191.10638	5.9
191.12419	0.3
192.10968	0.3
193.08452	0.3
195.10104	0.3
195.11688	0.5
197.09673	0.2
199.07434	0.2
199.11136	0.5
200.08206	0.2
201.09071	4.0
201.12685	0.2
202.09616	0.2
203.06934	0.3
203.10648	0.7
204.07784	1.1
205.08548	1.6
205.12117	0.3
206.09335	0.4
207.10071	0.4
209.08028	0.6
209.13240	0.4
211.09474	0.2
211.11240	0.3
212.08263	0.3
213.09079	0.4
213.12682	0.4
215.07048	0.3
215.10704	0.4
216.07628	0.2
217.08606	0.6
217.12112	0.7
219.10121	60.4
220.10443	2.3
221.13419	0.2
223.11150	0.3
223.14658	0.4
225.09058	0.6
225.11079	0.3
226.09766	0.3
227.10591	0.4
227.14279	0.2
229.08540	0.8
229.12149	0.2
230.09241	0.3
231.10086	0.7
231.13747	0.3
232.10690	0.2
233.11559	1.4
235.14793	0.2
236.11919	0.2
237.11162	65.9
238.11484	2.7
239.10590	0.5
239.14169	0.2
240.11377	0.3
241.08513	0.4
241.12158	0.9
243.10092	0.8
244.10852	0.1
245.07875	0.2
245.11699	1.5
249.12941	0.1
251.10452	0.2
251.12350	0.6
253.08565	0.2
253.12169	0.2
254.09378	1.3
254.11887	0.2
255.10048	1.1
255.13773	1.2
257.11685	0.8
259.13309	0.5
260.15738	0.1
261.16425	0.2
263.12701	2.4
264.15112	0.4
265.12131	0.5
265.16190	0.6
265.19513	0.5
267.09998	0.5
267.13675	0.2
268.10864	1.6
269.11829	0.6
269.15140	0.6
270.12408	0.3
271.13184	0.2
273.14908	0.9
275.12433	0.2
275.17923	0.4
277.11890	0.8
277.14511	0.3
278.12927	0.1
278.16507	0.2
279.13849	1.0
280.14078	0.2
281.11658	0.5
281.15198	0.3
282.12399	0.4
282.15564	0.2
283.13251	7.9
283.16599	0.4
284.13712	0.5
287.16434	0.2
291.13672	0.6
292.14505	1.0
293.15231	0.5
293.18942	0.7
295.13254	0.8
295.16269	0.2
296.13834	0.2
296.17847	0.2
297.14856	4.0
297.18054	0.2
298.14877	0.3
301.14325	1.9
301.17599	0.2
302.14880	0.2
303.17392	0.3
306.15836	0.6
309.14810	0.4
310.15656	0.5
311.16309	0.6
311.20038	0.6
315.15839	4.8
316.16357	0.3
320.08688	0.1
321.18427	2.7
322.18719	0.3
324.16840	0.2
329.17194	0.4
339.19492	13.1
340.19904	1.0
357.20523	100.0
358.20865	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2056
Annotation	Metachromin E
Peak:m/z	Relative Intensity
53.00308	0.4
53.03934	0.3
55.01867	0.9
55.05505	2.9
57.03433	0.5
57.07065	0.4
59.04970	0.3
65.03931	0.6
67.01849	1.2
67.05494	4.3
68.99791	0.3
69.03411	2.0
69.07059	48.0
70.07402	0.7
71.04984	0.4
73.77766	0.2
79.05486	2.8
81.07043	4.1
81.07486	0.4
83.01328	8.0
83.04972	0.8
83.08607	0.4
85.02901	0.5
85.06548	0.3
91.05463	5.6
93.07036	5.1
95.04962	1.1
95.08593	15.2
97.02912	0.4
97.06512	2.0
97.10156	2.0
98.21447	0.7
99.04408	0.3
99.08086	0.4
103.05460	0.6
105.07015	15.3
107.04936	0.4
107.08579	15.3
109.06501	1.8
109.10140	3.8
111.04449	0.7
111.08064	1.2
113.05991	1.4
115.05436	0.6
117.06984	2.5
119.04932	0.8
119.08565	3.8
121.06496	1.1
121.10130	13.6
123.04407	2.5
123.08047	1.2
123.11696	1.5
125.05914	0.4
125.09615	0.5
127.03892	0.6
127.07536	0.6
128.06233	0.9
129.06964	1.2
129.09041	0.4
130.07771	2.5
131.08569	2.6
133.06467	0.4
133.10112	18.9
134.10532	0.4
135.04430	0.5
135.08049	0.8
135.11670	1.4
137.05952	0.6
137.09589	2.1
139.03864	1.6
139.11211	0.6
141.05463	2.1
141.06413	0.3
141.06998	0.4
142.07774	0.9
143.03409	0.4
143.08537	2.1
144.09320	0.3
145.06477	1.1
145.10115	7.0
146.10902	0.3
147.08049	1.3
147.11656	2.8
149.05975	0.6
149.09602	1.0
151.03903	1.8
151.07541	0.6
153.05460	1.6
153.06810	0.3
155.03395	1.5
155.07030	2.2
155.08562	0.9
155.10635	0.5
156.09348	0.3
157.06563	0.3
157.10130	2.5
158.07240	0.4
159.08083	0.7
159.11688	2.6
161.05997	0.5
161.09573	0.7
163.03949	0.7
163.07524	0.9
163.11143	3.1
165.05530	2.0
165.06894	0.5
165.09103	1.9
167.03394	1.1
167.07027	0.8
167.08641	0.7
167.10666	2.2
168.04153	0.5
168.09349	0.3
169.04938	79.5
169.09946	1.2
170.05307	1.5
171.08058	2.2
171.11702	1.1
172.08838	0.3
173.09586	53.2
173.13245	1.7
174.09943	1.9
175.07559	1.0
175.11165	5.7
177.05443	6.4
177.09047	1.2
179.03297	0.3
179.08575	0.5
181.04895	1.0
181.08626	0.5
181.10120	0.9
183.06573	2.4
183.08060	0.6
183.10153	3.6
183.11699	0.6
185.09615	2.3
185.13239	0.5
187.07524	1.0
187.11223	0.9
189.05444	0.5
189.09084	0.7
189.12703	0.3
189.16405	0.8
191.06987	1.6
191.08916	0.4
191.10609	2.0
193.04950	1.9
193.08598	0.9
194.05739	0.7
194.10909	0.3
195.06511	6.8
195.08029	0.6
195.09924	0.3
195.11644	0.9
197.09599	0.7
197.13200	1.6
198.06662	0.3
198.10368	0.3
199.07491	0.9
199.11183	0.9
199.14822	0.4
201.05406	0.3
201.09108	2.7
201.12674	0.4
201.16420	0.8
203.06992	0.7
203.10686	0.7
205.08607	1.0
207.06430	1.5
207.11716	0.6
209.08070	1.0
209.09734	0.6
209.13327	1.4
210.10399	0.3
211.07544	1.0
211.09453	0.5
211.09866	0.4
211.11310	1.5
211.14754	0.5
213.09132	1.8
213.12679	1.2
214.06233	0.2
215.07040	0.4
215.10634	0.9
215.14291	0.7
217.08568	0.5
219.06715	0.5
219.10089	7.4
223.09428	0.4
223.11282	0.6
223.14848	0.4
225.09137	0.6
225.12735	1.7
225.16193	0.3
226.09744	0.3
227.07042	0.9
227.10663	1.1
227.14308	0.5
228.07715	0.4
229.08583	3.0
229.12178	5.8
231.06424	0.4
231.10051	0.5
232.07178	0.3
233.08043	4.2
233.11534	0.5
233.13474	0.4
235.09418	0.6
237.11063	7.7
237.16357	0.4
239.10612	0.3
239.14297	0.5
241.08556	10.2
241.12338	0.9
241.15802	0.3
242.09149	0.7
242.12901	0.6
243.10074	1.3
243.13809	3.8
245.08046	1.7
245.11627	0.4
246.08755	0.5
247.09633	17.2
248.10048	0.5
250.09875	0.7
251.10568	0.7
251.14232	0.7
253.12154	1.7
255.10196	1.0
255.13759	2.8
259.09616	1.0
261.11102	1.8
261.14886	1.1
265.12189	5.4
265.19495	0.5
269.11688	1.6
270.12476	3.1
271.13245	6.5
273.11142	4.4
273.14435	0.5
274.11911	0.6
275.12839	0.4
279.13794	0.7
279.17291	0.3
283.13269	10.2
283.16891	3.5
283.20538	1.6
284.13483	0.4
287.12735	3.7
287.16327	1.0
288.13474	2.8
289.14301	100.0
290.14633	5.0
293.18939	1.8
295.20648	1.0
297.14856	0.7
297.18314	0.4
300.02591	0.7
301.14322	1.5
311.20035	2.9
313.21579	1.1
315.15704	0.6
321.14978	0.5
321.18445	4.2
322.18622	0.4
327.04797	0.5
329.21262	0.5
339.08542	0.5
339.19507	14.9
340.19745	1.0
342.07300	0.4
357.09964	3.6
357.20544	56.9
358.10107	0.4
358.20944	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	357.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.10761	0.1
55.01865	0.4
55.05499	0.2
56.29778	0.1
57.07061	0.3
65.03918	0.2
66.96022	0.1
67.05490	0.7
69.03405	0.2
69.07053	0.5
71.04973	0.7
71.81925	0.2
76.47614	0.1
79.05470	0.8
81.03391	0.6
81.07038	3.2
83.01330	0.6
84.00252	0.1
91.05463	1.3
93.07022	1.7
95.04941	0.3
95.08590	0.6
105.07014	0.4
107.08574	1.0
109.02865	1.2
109.05736	0.2
109.06496	3.9
109.10124	1.1
116.24372	0.1
119.04924	0.4
119.08583	0.3
121.10125	0.4
123.04417	0.2
123.11684	13.0
124.12052	0.3
127.03895	1.5
133.10089	0.3
135.11665	1.4
137.05956	5.9
137.09593	0.2
139.03860	0.4
143.08540	0.1
145.10034	0.2
147.04303	0.3
147.11674	0.4
149.06006	0.1
149.13264	0.2
151.07471	0.6
153.05447	2.0
163.07487	0.6
165.05447	100.0
166.05769	1.4
167.07013	1.0
171.11652	0.2
175.07608	0.2
175.14830	0.1
177.05429	0.4
179.06995	1.2
183.06549	0.3
191.07022	0.4
193.08609	0.3
193.15865	0.4
195.10156	0.5
199.11130	0.2
203.07057	0.4
203.10542	0.1
205.08598	1.0
207.10143	2.6
217.08565	0.4
227.10568	0.4
231.10081	0.5
235.09422	0.2
245.11710	0.6
248.29614	0.1
259.16913	0.3
269.15356	1.6
271.13239	0.5
277.14328	0.3
287.16364	64.5
288.16708	3.0
297.14572	0.1
312.43655	0.1
339.19556	0.3
357.16330	0.2
357.20529	3.3
358.20364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2056
Annotation	Liphagal
Peak:m/z	Relative Intensity
53.03931	0.2
53.51042	0.1
55.01852	0.7
55.05502	1.1
57.03432	2.0
57.07071	4.6
65.03912	0.6
67.05498	3.1
68.25053	0.2
68.99759	0.5
69.03404	0.7
69.07067	1.0
69.76685	1.1
71.01337	0.3
77.03894	0.2
79.05480	2.4
80.65070	0.1
81.07047	2.5
82.00403	0.2
83.01331	5.6
83.04955	0.7
83.08621	0.2
85.02874	0.6
85.06537	1.8
85.55238	0.2
88.40681	0.2
91.05467	5.9
93.06503	0.3
93.07033	3.7
95.04935	0.6
95.08598	7.8
97.06523	0.3
100.78093	0.2
103.05399	0.2
105.07019	12.5
106.07322	0.3
107.04961	0.3
107.08581	12.1
109.02858	0.4
109.06508	2.5
109.10146	2.5
111.04459	0.3
115.05419	0.6
116.06210	0.3
117.07018	0.9
118.07756	0.2
119.04912	1.4
119.06010	0.2
119.08569	2.4
121.06500	1.5
121.10130	7.6
122.10388	0.2
123.04398	0.4
123.08011	1.4
123.11687	0.8
125.05915	0.2
127.03878	0.2
127.07523	0.5
128.06137	0.2
129.06985	0.7
130.07759	0.4
131.08557	2.5
133.06451	0.4
133.10115	17.4
134.07338	0.2
134.10408	0.4
135.04419	0.2
135.08043	3.4
135.11681	1.1
137.05974	0.9
137.09595	0.6
139.03888	0.9
142.07747	0.6
143.08560	0.9
145.06422	0.4
145.10121	3.0
147.08018	0.8
147.11668	1.7
149.05943	1.4
149.09596	2.3
151.03882	0.4
151.07549	0.8
153.05457	1.7
153.06750	0.2
155.07097	0.3
155.08557	0.7
157.10139	0.9
158.07231	0.6
159.08006	0.8
159.11632	0.5
161.05978	1.1
161.09590	0.9
162.06743	1.0
163.07526	3.7
163.11201	1.7
165.01791	0.7
165.05473	3.7
165.06856	0.2
165.09094	1.0
166.07870	0.2
167.03424	0.2
167.07031	0.2
167.10602	0.2
169.04942	0.3
169.10066	0.3
171.08020	0.4
171.11679	0.3
173.09604	4.1
175.07594	1.4
175.11156	4.2
176.08287	1.4
177.05505	2.6
177.09094	9.4
178.06174	0.2
178.09543	0.4
179.03368	2.2
179.06981	1.0
179.10649	0.3
180.09120	0.2
181.08527	0.5
181.10208	0.5
183.08058	0.2
183.11708	0.3
185.09641	0.4
185.13315	0.4
187.07513	0.5
187.11215	0.4
187.14767	0.2
189.05545	0.3
189.09053	0.8
189.12767	0.3
190.06221	0.8
191.07031	1.6
191.10652	6.0
193.04965	0.8
193.08540	0.4
193.10103	0.4
194.10857	0.2
195.06517	0.3
195.10095	0.2
195.11665	0.5
197.04434	0.7
197.09576	0.3
197.13319	0.2
199.07507	0.3
199.11189	0.5
201.09088	4.3
201.12703	0.4
203.06967	0.8
203.10551	0.8
203.14308	0.2
204.07788	1.6
205.08565	1.7
205.12245	0.3
206.09363	0.4
207.06508	0.3
207.10077	0.3
209.07964	0.6
209.09755	0.3
211.07677	0.2
211.11217	0.3
212.08278	0.2
213.09059	0.5
213.12740	0.5
215.07153	0.4
215.10640	1.2
217.04979	0.2
217.08633	1.2
217.12251	1.0
219.10138	56.5
220.10454	1.6
221.07973	0.4
221.13449	0.2
223.09561	0.5
223.14783	0.5
225.09068	0.5
225.11185	0.5
226.09724	0.2
227.07039	0.2
227.10777	0.8
227.14284	0.3
228.07841	0.3
229.08609	0.5
229.12157	0.4
231.10101	1.1
231.13774	0.6
233.11559	1.3
235.09605	5.0
236.09906	0.2
237.11183	62.9
238.11490	1.7
239.10637	0.5
240.11365	0.4
241.08510	0.6
241.12219	1.0
242.09401	0.2
243.10120	1.2
243.13809	0.4
244.14581	0.4
245.08006	0.4
245.11687	1.4
249.11008	1.1
251.10504	0.3
251.12514	0.9
253.08580	0.3
254.09380	0.8
254.13062	0.2
255.10162	1.0
255.13814	1.6
257.11591	0.8
258.12378	0.3
259.09607	0.3
259.13348	0.5
261.11084	0.4
261.16443	0.3
263.12704	3.0
264.15097	0.2
265.11975	0.9
265.19458	0.4
267.10239	0.3
267.13861	0.2
268.10910	1.4
269.11649	0.4
269.15381	0.5
270.12262	0.3
271.13220	0.6
272.13898	0.2
273.11249	0.6
273.14835	1.8
275.12857	0.5
275.17838	0.2
277.12073	0.6
277.14487	0.5
279.13770	1.1
279.17059	0.2
281.11710	0.6
281.15598	0.2
282.12396	0.5
283.13287	7.2
283.16522	0.5
284.13733	0.4
287.16476	1.9
289.14185	0.4
291.13773	0.4
292.14493	1.0
293.15439	0.4
293.18936	0.8
295.13089	0.4
295.20532	0.2
296.14120	0.4
297.14865	4.4
297.18167	0.2
298.15338	0.2
301.14355	3.3
301.17648	0.2
303.17374	0.4
305.14926	0.2
306.16049	0.5
309.14850	0.5
310.15540	0.4
311.16400	0.4
311.19980	1.0
313.21606	0.9
315.15854	5.3
315.19315	0.2
321.14981	0.3
321.18491	3.0
324.17075	0.3
329.17352	0.6
329.20761	0.3
339.19525	14.1
340.19760	0.8
342.17972	0.2
357.20554	100.0
358.20917	5.7
358.24478	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	357.1328
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03926	2.1
55.01865	18.4
55.05497	3.2
55.88221	1.7
57.03427	2.1
65.03930	3.9
67.05490	7.9
68.94262	1.9
69.03419	3.6
69.07043	4.6
70.22758	10.6
71.04971	2.6
74.57906	1.7
79.05476	10.9
81.03401	3.2
81.07048	13.1
82.39583	2.2
83.04946	2.4
91.05456	14.6
93.03395	2.3
93.07015	10.2
94.04176	6.5
95.04949	2.9
95.08588	9.1
97.02866	3.4
97.06522	3.0
98.20811	2.5
103.05469	6.8
105.07024	10.9
107.04921	7.4
107.08580	8.5
109.02859	6.1
109.06511	7.8
109.10098	4.1
111.04436	7.2
115.05434	8.5
117.03374	2.2
117.06955	4.9
119.04967	2.4
119.08546	4.7
121.06520	3.8
121.10143	6.4
122.03615	17.4
123.04420	5.7
123.11702	3.9
125.05965	3.9
127.03891	4.9
129.06993	2.1
130.04170	2.4
131.04924	8.0
131.08559	3.1
133.06461	5.3
133.10132	4.3
135.11636	3.2
137.05949	100.0
139.03891	20.3
143.04895	4.1
143.08519	2.8
144.05705	2.0
145.02838	4.6
145.06474	2.2
146.03583	5.4
147.04373	5.4
147.08022	2.8
149.06013	4.7
151.03859	8.1
153.05467	5.0
155.04909	4.9
159.04399	4.0
159.07986	3.8
160.05176	3.4
161.05942	31.8
162.06728	4.2
163.03909	5.6
163.07527	5.5
165.05467	47.9
165.06815	3.1
171.04346	2.5
172.05167	4.4
173.05974	2.1
173.09593	5.5
175.07532	10.2
175.11174	4.5
177.05455	15.3
178.07825	4.4
179.07059	2.6
179.08574	5.5
181.06456	3.3
183.04430	3.3
185.05952	2.9
187.07503	8.4
189.07037	7.1
189.09076	14.8
190.06248	2.6
190.07693	11.6
191.07063	3.8
191.08528	13.7
191.10402	2.4
194.07094	2.4
195.13777	3.0
200.04715	2.9
201.07022	4.7
201.08978	2.8
202.07809	4.9
203.06990	10.8
203.08705	3.9
203.10704	2.8
205.06470	6.4
205.08594	7.2
206.07333	2.8
207.08087	11.1
208.08786	5.6
211.07722	2.4
215.06932	14.6
217.06482	4.6
218.07259	22.6
219.06099	3.1
219.08107	31.4
219.10229	6.4
220.08612	4.2
221.05890	5.6
223.07497	3.6
224.08365	2.3
229.06479	7.8
230.07324	2.5
231.08015	4.4
233.06058	2.6
233.09770	3.7
234.06732	10.6
235.07567	18.0
236.08244	9.4
237.05534	3.6
237.09070	4.4
237.11145	3.9
245.06023	3.0
246.06750	19.8
247.07520	36.2
248.08266	6.0
249.05415	2.6
249.09070	11.0
251.07062	4.4
251.10655	6.6
252.07823	2.9
253.08589	4.6
257.06000	7.5
259.07495	4.7
261.09067	37.7
262.06198	4.9
262.09354	3.2
263.07010	16.8
264.07758	15.5
265.08536	6.6
267.10022	3.4
269.08069	4.6
274.06238	15.8
275.07083	14.4
276.07861	3.6
277.08496	23.8
278.09219	9.4
279.10098	19.3
280.07294	2.6
281.08096	4.9
283.06326	2.5
283.09415	2.5
284.26349	2.0
287.05453	2.5
287.16397	5.9
289.08606	55.5
290.09238	10.0
291.06464	7.1
292.07169	6.2
293.08109	3.6
293.11478	2.5
294.08813	8.0
295.09659	8.8
297.11185	3.1
306.08807	11.5
307.09592	96.1
308.10190	7.6
309.07809	4.3
309.11090	17.0
311.12619	2.8
321.11157	83.3
324.09778	2.5
325.10510	4.2
327.12247	27.8
339.08151	2.9
339.12228	58.4
339.16132	4.1
339.19095	3.1
340.12585	3.0
357.05994	5.4
357.13339	37.9
357.20334	22.6
357.24341	5.3
384.26453	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	357.0964
Annotation	11-hydroxy-O-methyldihydrosterigmatocystin
Peak:m/z	Relative Intensity
50.83214	1.0
53.03928	1.0
55.01879	1.0
55.05499	3.8
56.94291	0.9
56.96538	2.4
57.03418	3.5
57.07063	2.2
59.04991	1.2
59.92848	0.9
61.02917	5.1
65.03898	0.9
67.02609	0.9
67.05493	10.3
68.99759	1.0
69.03423	10.2
69.07059	6.3
69.58116	3.5
69.58554	5.0
72.93752	2.6
73.02898	2.7
79.05479	6.4
79.75126	1.0
81.03402	6.5
81.07049	10.8
83.01330	2.3
83.04964	4.2
83.08592	2.1
85.02890	6.3
85.06522	0.9
90.94810	2.5
91.03940	2.3
91.05444	8.1
93.07031	9.6
95.04955	4.3
95.08594	7.7
97.02866	3.8
97.06509	2.9
98.20698	1.4
99.04440	1.2
101.02328	1.5
103.03913	1.1
105.07008	8.6
107.08571	8.0
107.97297	1.1
109.02881	3.1
109.06483	2.6
109.10152	5.0
111.08073	2.2
117.07002	2.4
119.04890	1.2
119.08572	4.2
121.06500	2.7
121.10132	9.0
123.04408	3.6
123.08038	1.9
123.11714	5.9
125.02320	2.1
127.03896	2.0
128.06166	1.4
129.06996	1.5
131.08553	3.8
133.10078	8.3
135.08011	1.8
135.11670	5.7
137.05948	2.6
137.09579	2.1
139.03923	2.0
139.11197	0.9
143.08536	3.0
144.99472	1.0
145.06407	1.2
145.10097	3.0
147.08034	1.8
147.11633	2.1
149.05927	1.4
149.09595	1.3
149.13258	2.4
151.03868	2.1
153.01833	1.4
154.71960	0.9
154.97899	1.3
155.08505	2.0
157.10126	2.8
159.08112	1.3
159.11639	2.0
161.09584	1.5
163.07539	2.9
163.11108	1.1
165.05473	13.5
165.09143	1.8
167.08517	1.3
169.04985	1.8
171.04312	1.2
171.08076	1.9
173.09599	3.9
175.07581	1.1
175.11128	2.7
177.05417	2.2
177.09044	1.3
177.12810	1.5
179.03403	4.6
179.07031	1.0
179.33752	0.9
183.11702	1.0
189.05493	0.9
189.09067	2.1
191.10660	1.8
193.12221	2.8
195.13737	2.2
199.07664	1.2
201.09128	1.6
203.10526	1.3
205.08582	1.8
207.10329	0.9
211.13159	4.7
213.05446	1.1
215.10872	1.0
216.04175	1.5
217.08524	4.2
219.10126	8.0
227.10620	1.1
229.05191	3.3
229.12306	0.9
231.06554	2.4
235.09648	11.4
237.11140	9.8
239.14297	1.2
241.05080	2.2
241.12325	1.2
242.05606	1.4
243.13757	1.2
244.03760	1.7
245.04466	3.4
251.06905	4.7
253.04900	1.7
255.06740	1.3
257.04361	3.4
257.06946	2.9
259.06000	2.9
261.14761	1.7
265.05121	3.2
265.07828	1.2
267.06662	3.6
269.04333	1.4
269.08072	1.5
269.10696	2.9
269.17477	4.3
271.05933	4.0
271.13580	2.1
272.03180	5.9
273.03870	4.8
274.04626	1.5
279.06458	1.3
281.04346	3.4
282.05029	1.7
283.06134	11.0
283.08862	1.1
283.13004	1.7
284.03506	1.5
285.03900	4.5
285.07770	11.4
285.16843	2.2
286.01062	1.6
287.05444	15.5
287.08282	1.5
287.12131	1.3
287.12750	1.4
287.16269	9.6
288.05887	1.5
289.14197	2.4
295.05911	5.0
296.06644	2.7
297.04202	1.1
297.07376	4.4
298.07993	1.2
299.05460	12.7
301.03537	2.7
301.07275	4.4
301.14337	2.7
307.06265	1.2
308.09378	1.8
309.03888	1.6
311.05380	1.6
311.08932	1.1
311.20261	2.3
314.07758	1.3
315.08426	1.4
324.06128	15.3
324.09290	1.6
325.06909	6.3
326.07419	1.2
327.04883	1.4
329.10202	9.4
329.21164	1.0
335.14243	1.5
339.08673	3.3
339.19504	7.9
357.09628	100.0
357.16846	2.5
357.20444	36.6
357.23953	2.3
358.10031	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	11.4
57.03425	56.6
57.35512	3.9
61.02920	7.7
63.91303	3.5
67.05489	31.0
69.03420	24.8
69.07054	40.1
69.52476	9.5
69.52811	45.2
70.06583	6.9
71.04978	44.8
73.02901	19.8
79.05469	17.3
81.03407	11.4
81.07047	5.1
83.04965	6.3
84.04495	6.1
85.02890	99.5
85.06525	7.5
86.09692	5.4
91.05429	5.1
93.07026	4.5
95.04949	12.5
97.02884	12.0
97.06517	100.0
98.06043	5.0
99.04434	6.4
99.08076	38.9
103.03921	47.9
105.07020	7.1
106.22908	3.9
107.04916	8.8
109.02845	10.3
111.04419	4.8
113.05961	8.1
123.04412	19.4
127.03912	25.1
127.07552	10.8
128.08363	4.5
129.09105	29.2
135.04408	11.6
137.05943	11.4
145.04938	15.7
147.04372	8.8
149.09540	4.2
153.05550	6.2
159.10185	5.8
163.03888	18.9
164.04225	19.6
173.45113	5.2
177.05447	9.2
177.11214	6.0
190.89369	4.5
193.04987	9.4
194.05298	11.8
195.10001	4.3
201.05530	4.0
204.99661	4.9
229.04959	5.4
265.17633	4.2
311.09045	6.9
337.43524	4.5
353.83026	4.8
356.07324	6.2
356.18506	4.4
357.14832	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	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01849	2.5
55.05502	20.3
57.03424	6.8
57.07067	9.9
65.03934	2.1
67.05492	60.4
69.03414	2.5
69.06693	2.1
69.07056	36.1
70.02136	8.3
70.06568	5.0
71.04974	2.3
71.08615	3.2
79.05484	23.5
80.05846	1.5
81.07043	67.9
82.07381	1.5
83.01293	1.4
83.04945	4.8
83.08605	19.9
85.06505	3.5
85.10167	1.8
88.07623	4.0
91.05446	22.8
93.07024	26.2
95.04943	3.6
95.08591	68.4
97.06516	6.7
97.10147	12.2
98.20730	1.6
99.08060	3.7
105.07008	48.7
106.07338	2.4
106.08656	2.1
107.08574	52.4
108.08905	2.8
109.06505	4.1
109.10139	36.0
111.08028	2.2
111.11701	5.1
113.09584	2.4
115.05427	2.0
117.06993	9.1
119.04910	2.9
119.08555	25.2
121.06474	3.9
121.10117	46.6
122.07297	1.6
122.10454	2.4
123.08054	4.1
123.11692	18.9
125.09600	3.2
125.13234	1.9
127.11169	1.5
128.06198	2.4
129.05435	2.5
129.06934	2.0
130.07753	8.6
131.08521	4.7
133.09171	2.5
133.10109	21.6
134.10333	1.3
135.04456	1.7
135.07060	2.0
135.08028	30.6
135.11664	9.3
137.09592	17.3
137.13197	8.3
139.03830	1.6
141.06918	2.0
142.07704	3.7
143.08519	5.6
145.06445	2.5
145.10097	25.7
147.08025	3.3
147.11649	19.4
149.05957	2.0
149.09589	5.7
149.13280	9.0
151.14803	5.8
153.09081	6.5
153.12741	1.5
157.10123	6.6
159.08093	2.0
159.11612	2.8
161.09573	4.6
161.13229	11.3
163.03879	10.9
163.07513	32.0
163.11119	4.5
163.14804	10.2
164.07964	2.0
165.09077	3.7
165.12737	1.6
165.16350	4.5
169.10065	3.2
171.07990	3.5
171.11632	1.9
173.09581	100.0
174.09961	7.5
175.11151	53.8
175.14690	8.3
176.11494	3.4
177.05409	1.7
177.16362	1.6
179.17921	2.8
181.08583	28.8
181.10136	2.4
182.08885	1.6
183.07967	2.0
183.11696	1.7
185.09653	2.8
187.11156	2.3
189.09048	8.5
189.16367	4.1
191.10680	6.4
193.10321	2.1
193.15892	2.1
197.13124	1.8
199.14825	1.7
201.09084	7.6
205.12251	1.4
206.10858	1.7
207.11743	1.5
209.09634	1.9
209.13278	3.0
211.11139	1.5
211.14767	3.2
215.14359	2.2
217.08530	10.0
219.10115	5.1
221.13264	3.4
223.14870	2.2
225.12793	3.2
227.09102	5.6
227.14223	2.5
233.13092	2.4
235.09586	11.3
239.14195	3.7
241.12160	2.5
245.22609	35.1
246.22929	1.7
249.12741	1.6
251.14110	2.3
253.12115	1.6
253.19472	1.9
263.17838	3.7
263.23651	44.5
264.23624	1.6
265.24954	1.8
267.17377	1.7
281.18875	6.7
281.24847	2.2
291.17395	10.9
293.18893	7.1
295.16913	2.4
299.12579	2.7
309.18457	22.5
311.20050	8.2
319.16901	7.7
327.19318	3.1
335.93161	1.7
337.17957	32.8
337.23462	2.6
337.27261	27.4
337.32977	2.3
338.18292	5.7
355.19000	42.3
355.28519	5.7
355.33926	40.2
356.19449	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1383
Annotation	Piptocarphin D
Peak:m/z	Relative Intensity
50.53626	0.4
53.03923	0.6
55.01865	3.8
55.05501	1.2
57.03430	3.5
57.06792	0.8
57.07066	10.9
59.26797	0.5
61.02924	2.8
64.37562	0.4
67.05492	7.0
68.99780	1.4
69.03397	2.1
69.07018	0.5
69.35072	0.5
70.69757	0.9
71.01328	0.8
71.05004	0.6
73.02899	1.0
79.05473	1.8
79.46693	0.4
81.03384	3.1
81.07049	3.0
83.04978	1.2
83.93154	0.5
85.02443	0.8
85.02896	9.1
85.06531	15.3
87.11034	0.5
87.65853	0.4
89.03886	0.6
91.05408	2.4
92.15446	0.5
93.07019	1.4
95.04967	0.8
95.08585	1.5
97.02884	2.7
97.06505	0.9
103.03918	3.6
105.03342	0.9
105.06995	2.1
105.71439	0.5
107.04919	1.6
107.08551	1.4
109.02861	7.1
109.06511	3.8
111.04417	0.5
117.07001	1.4
119.04928	2.0
119.07334	2.7
119.08549	1.8
121.02845	2.3
121.06462	1.6
121.10111	0.9
122.39925	0.5
123.04427	4.1
123.08073	0.7
125.09563	0.8
127.03876	1.8
127.07558	3.9
128.06203	1.2
129.06981	1.6
131.04893	1.2
131.08548	1.5
133.02809	1.0
133.06491	2.5
133.10109	0.7
135.04387	3.9
135.08026	2.1
137.05943	1.9
138.25281	0.5
139.03891	1.7
141.06963	0.7
143.08514	0.9
145.02835	1.0
145.06479	2.6
145.10085	0.7
147.04379	7.2
147.08012	1.6
149.02309	0.8
149.05951	1.9
149.09605	0.9
151.03880	7.6
151.07491	1.5
153.01846	0.9
153.05463	1.2
155.03398	0.9
157.06497	1.4
157.10037	1.2
159.04384	0.9
159.08037	2.3
160.05171	0.9
161.05960	9.5
161.09508	2.5
163.03885	15.5
163.07503	5.2
164.04211	1.0
165.01834	1.2
165.05411	3.2
167.03394	0.7
167.07048	1.2
167.08485	0.6
169.06351	0.8
169.08601	1.1
171.06543	0.8
171.08034	1.6
173.05986	2.5
173.09593	1.2
175.03899	4.0
175.07510	3.6
175.11215	1.0
176.04628	0.7
176.08408	0.7
177.01810	0.6
177.05429	3.4
177.09100	3.2
179.03391	5.3
179.08492	0.7
183.07979	0.6
185.06006	0.8
185.09621	1.8
185.45700	0.6
187.03876	1.4
187.07527	4.1
188.04648	0.8
189.05421	6.3
189.09068	7.6
190.06140	1.0
191.03403	2.5
191.07002	2.2
192.04153	1.3
192.07794	0.8
193.04924	11.3
193.06625	0.8
193.08607	2.2
195.06454	1.3
195.08075	0.8
197.09581	0.9
198.06674	1.4
199.07510	1.9
199.11156	0.6
200.04785	0.8
201.05452	4.6
201.09070	3.1
202.06212	0.8
203.03384	1.2
203.06985	3.7
203.10655	5.5
205.05170	1.1
205.08585	29.4
206.08890	1.0
207.06398	1.0
211.07567	1.2
211.09602	13.8
213.05499	2.2
213.09059	3.5
214.06157	1.7
215.03403	1.8
215.06987	2.3
215.10590	1.6
216.07755	0.6
217.05006	4.2
217.08533	9.3
219.06479	2.0
219.10062	0.8
221.04428	2.3
223.09613	45.6
224.09979	2.8
225.09070	1.2
227.06973	2.6
228.07692	0.7
229.04865	2.1
229.08527	9.2
230.05655	1.2
230.09085	1.1
231.06636	2.7
231.10143	11.8
235.06172	2.5
235.09619	29.8
236.09970	1.1
240.07738	1.2
241.05104	1.0
241.08566	2.3
242.09308	0.8
243.10068	3.3
245.04417	1.0
245.08217	0.9
245.11789	1.3
247.09612	6.9
249.07472	1.5
249.08691	0.7
249.11163	7.7
253.08582	1.1
255.10129	3.2
256.07312	0.6
257.08008	1.9
259.09628	14.7
260.10016	1.0
261.11172	1.2
267.11218	4.7
268.07263	1.3
271.09622	27.4
272.09885	1.0
273.11157	3.0
275.09100	1.1
277.10675	100.0
278.11032	4.7
283.09616	12.4
284.09879	0.6
289.10663	59.8
290.10971	3.3
291.12271	1.7
301.10663	33.3
302.10959	2.1
307.11716	8.8
308.11835	0.5
319.11719	26.4
320.12094	1.5
323.08972	0.7
337.12772	25.0
338.13065	1.6
355.07895	1.7
355.13745	8.7
355.18643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89398	1.2
53.03925	2.0
55.01853	4.4
55.05489	2.3
57.03415	5.6
57.07067	2.5
61.02924	2.8
67.05470	3.2
69.03417	9.6
69.83008	2.4
69.83321	10.8
72.56773	1.3
74.69918	1.4
79.05472	2.3
81.07037	2.2
83.04953	2.0
85.02887	9.8
85.06527	4.4
89.03905	2.5
91.05399	6.9
93.07047	2.1
95.04936	2.7
95.08572	2.1
97.02868	6.9
98.21426	2.9
98.88004	1.4
99.50101	1.8
103.03935	2.6
103.05436	1.5
105.03384	9.4
105.07013	7.4
107.04912	4.6
107.08551	1.7
109.02847	3.8
109.06480	2.6
115.05431	2.3
117.03359	3.6
119.04928	4.1
119.08585	2.0
121.06448	1.7
123.04400	4.8
123.08001	2.6
127.03877	10.6
128.06218	7.4
129.06978	3.8
131.08554	9.9
131.10660	1.4
133.06464	7.0
133.10088	2.7
135.04398	10.7
137.05930	5.1
141.06960	3.1
142.07832	2.7
143.08531	15.0
144.05743	1.6
145.02818	6.1
145.06436	5.0
147.04384	21.9
147.07982	4.1
149.02327	2.9
149.05937	3.2
149.09616	2.1
151.03860	1.8
151.07529	8.1
153.05434	2.7
154.07779	1.6
155.08424	1.3
157.06476	2.5
157.10078	3.0
159.08047	6.1
160.05202	2.0
161.05957	21.4
161.09593	5.8
162.06586	2.1
163.03886	54.2
163.07481	2.8
164.04207	1.9
165.05444	4.3
165.06769	1.8
166.07639	1.5
167.03352	4.1
169.06439	2.3
171.08003	14.2
173.05931	5.0
174.06740	1.6
175.04007	1.6
175.07513	22.0
177.05457	4.0
177.09077	27.3
179.07019	11.3
181.10042	1.8
183.08002	2.1
185.09579	6.6
187.07521	12.9
189.05461	3.7
189.09076	19.3
190.06255	1.9
190.93787	1.3
191.07014	3.9
193.04942	21.6
193.08585	36.4
194.05247	1.7
195.06418	1.5
195.08043	2.0
198.06743	2.8
199.07515	18.4
199.11176	3.1
201.05394	7.2
201.09138	3.4
203.07019	4.0
203.10637	3.2
205.08568	100.0
206.09039	3.0
207.02773	1.5
209.09598	3.5
211.09523	2.0
213.09085	7.2
215.07016	3.7
217.08562	21.5
218.08980	1.5
219.10153	4.6
223.09605	9.1
227.10632	3.1
229.08568	5.5
231.06520	2.4
231.10127	19.5
233.08002	2.0
235.09608	85.5
236.09975	4.3
237.09074	2.9
241.08553	3.3
242.08992	1.5
243.10114	3.7
245.08160	1.5
245.11627	7.3
247.09557	2.2
255.10149	4.8
259.09637	51.1
260.09897	1.5
263.09140	4.9
265.08408	2.0
266.07974	1.9
271.09647	11.3
277.08270	1.8
277.10742	18.6
281.10339	3.8
283.09558	10.2
285.01135	2.0
289.10672	69.9
290.10974	3.8
301.10693	30.8
319.11713	27.8
337.12808	20.4
338.12842	3.2
355.13785	67.7
355.17236	3.3
356.14249	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	355.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
57.03436	0.7
58.54952	0.3
67.01867	0.3
68.99786	0.7
69.03423	0.5
70.42892	0.3
71.78300	0.5
81.03401	0.8
83.01329	0.4
85.02902	2.2
91.05451	1.3
93.07026	0.6
95.04958	0.4
95.08582	0.5
97.02884	1.8
98.26591	0.4
103.45110	0.4
105.06981	1.9
107.08601	0.5
109.02864	0.5
115.05458	0.6
117.06978	0.6
119.04926	0.5
119.08529	0.5
123.04430	0.7
125.05936	0.8
128.06227	2.5
129.06966	1.6
131.08557	3.9
133.06458	1.1
135.04385	1.3
137.09613	0.4
141.05431	0.4
141.06964	0.7
143.08554	6.3
144.05589	0.4
145.06462	3.2
147.04402	1.6
147.07970	0.7
149.05905	0.4
151.03857	0.8
155.08519	0.4
157.06448	1.1
157.10109	1.0
159.08020	1.8
160.05234	0.5
161.05939	1.9
163.03868	4.6
163.07489	2.8
165.05568	0.6
165.06985	0.6
166.07745	0.5
167.08565	0.8
169.05005	0.8
169.06462	0.5
171.08017	9.1
173.05971	2.2
174.06726	0.5
175.07536	6.7
177.09079	1.0
179.06989	1.0
179.08415	0.5
181.06459	0.4
181.10104	0.7
183.08012	0.7
184.05136	0.8
184.09042	0.4
185.09636	2.6
187.07535	6.8
189.09120	2.4
191.06950	0.5
193.04947	100.0
193.08551	7.5
194.05266	3.5
195.08025	0.9
197.05968	0.6
197.09546	0.5
199.07527	10.1
199.11121	0.9
201.09056	0.5
203.07051	0.5
205.08578	17.2
206.09004	0.7
209.09607	1.0
211.07344	0.6
213.09073	2.5
217.08586	5.2
219.08026	0.5
220.05136	0.4
223.09639	0.7
225.09081	0.9
227.10666	1.1
229.08533	0.7
231.10170	1.0
235.09628	16.9
236.09976	0.8
237.09097	1.2
241.08562	2.7
253.08582	1.0
255.10168	0.8
259.09659	10.0
260.09872	0.6
260.68048	0.4
265.08496	1.1
269.62152	0.4
271.09656	1.4
283.09650	2.3
289.10687	14.1
290.10684	0.6
301.10654	4.7
319.11719	5.1
337.12885	3.2
355.13806	16.2
355.17572	1.3
356.14493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1172
Annotation	Platanetin
Peak:m/z	Relative Intensity
53.03906	0.4
55.01837	0.5
55.05442	1.2
57.07012	2.4
61.03979	0.4
62.17036	0.3
67.05493	1.8
68.99737	0.5
69.03383	0.6
69.07056	1.7
71.04943	0.4
71.77681	0.4
71.78130	0.5
79.01823	2.0
79.05429	1.2
81.03368	0.6
81.06992	1.7
83.01289	0.9
83.04904	1.1
83.08545	0.5
85.06490	0.8
87.93716	0.3
89.03896	0.4
91.05414	1.6
93.07024	1.8
95.04893	0.7
95.08582	2.4
100.11192	0.6
105.07021	3.8
107.04911	0.7
107.08505	1.6
109.06453	1.0
109.10061	1.2
111.08068	0.4
115.05357	0.5
117.03316	0.6
117.06945	1.4
119.04841	0.8
119.08564	2.0
121.10049	1.5
123.08096	2.0
128.06174	0.4
129.06972	0.5
130.07700	0.7
131.08507	0.8
133.06409	0.4
133.10056	0.9
135.04323	1.3
135.07964	1.2
137.05847	0.4
137.09537	1.5
141.06920	0.4
142.07700	0.6
143.08469	1.0
145.02734	0.6
145.06377	0.5
145.09200	0.3
145.10106	2.9
147.07957	0.6
147.11613	1.4
149.09496	0.4
151.07318	0.4
153.05429	0.6
156.09215	0.6
157.06479	0.4
157.10043	1.0
159.04474	0.4
159.08044	0.6
161.05937	0.4
161.09569	0.4
163.03893	7.4
163.07452	1.2
163.11107	0.5
165.09041	0.5
168.09259	0.7
169.06422	0.8
169.10078	0.5
171.07979	1.9
173.05902	0.5
173.09595	8.6
173.13177	0.7
175.07536	0.5
175.11159	2.5
177.09123	0.4
181.08514	0.7
181.10037	0.5
183.11670	0.8
185.09601	0.5
185.13144	0.4
187.07623	0.5
187.11163	0.8
189.09180	0.8
191.10664	0.5
197.05991	2.4
197.07578	0.5
197.09648	0.5
197.13200	0.6
201.05466	0.6
201.09003	0.4
203.10553	0.6
209.07941	0.8
211.03912	3.0
211.11163	0.5
213.09129	1.0
214.06139	0.7
215.06892	0.5
215.10567	0.9
217.08543	0.6
219.10135	0.8
224.04619	0.5
225.05460	8.3
225.12747	0.7
226.05844	0.6
229.04936	2.1
229.08484	0.6
229.12173	0.9
235.03848	0.8
235.09451	0.8
239.03314	1.7
241.04897	0.5
241.08603	4.1
241.12219	0.5
242.05701	3.5
243.06415	0.9
247.05946	0.7
253.04922	22.2
253.12155	0.5
254.05270	1.6
257.04440	5.0
257.11713	3.9
263.03290	0.7
269.04312	0.5
270.05173	2.6
271.05988	3.1
271.13229	0.7
275.05557	2.8
281.04413	13.4
281.11615	1.8
281.18912	0.5
282.04785	0.8
285.14807	0.5
291.17477	0.6
297.11905	0.4
297.14606	1.7
299.05466	100.0
300.05774	6.1
300.13263	0.4
303.15918	0.5
309.18439	1.5
311.19778	1.0
313.17905	0.7
319.16888	0.6
337.10297	0.5
337.18027	3.7
355.11743	74.7
355.18652	17.8
356.12061	5.9
356.19116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1016
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.54633	0.3
70.74580	1.1
72.77914	0.3
75.07610	0.3
79.05492	0.8
83.04960	0.6
89.03897	5.8
90.04243	0.3
98.21412	0.3
100.29532	0.3
107.04926	1.4
117.02567	0.6
117.03359	7.3
135.04398	15.9
136.04707	0.5
145.02815	11.6
145.03969	0.7
154.05966	0.3
162.31419	0.3
163.03877	100.0
164.04184	1.5
181.04898	0.3
340.06622	0.3
369.02753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3361
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05505	4.2
55.67246	0.3
57.05800	0.6
57.07064	5.7
58.02946	1.0
58.06588	11.6
59.52583	0.3
60.04512	1.7
67.05499	2.5
69.07053	8.7
70.02924	1.4
70.06583	2.8
71.04975	0.8
71.08623	4.0
71.58958	0.6
72.04489	1.2
72.08137	0.5
74.06060	1.5
79.05479	0.8
80.03146	0.3
81.06606	0.5
81.07046	6.0
82.06554	0.6
83.04956	0.6
83.08603	5.5
84.08138	2.4
85.06519	0.6
85.10165	2.3
86.06051	2.8
87.06836	0.7
93.07017	1.1
95.07991	0.7
95.08585	6.4
96.08106	0.4
97.06517	0.9
97.10162	4.2
98.09659	1.1
103.33958	0.4
105.07030	0.5
107.08554	1.0
108.08133	0.6
109.10136	4.2
111.11706	2.6
112.07590	0.5
121.10181	0.4
122.91116	0.4
123.08070	0.6
123.11693	1.8
125.13248	1.0
137.13229	1.0
149.13208	0.4
151.94473	0.4
165.05447	0.7
166.39534	0.5
167.07005	0.7
175.11140	0.3
175.14659	0.3
181.28246	0.3
219.10100	0.5
268.29904	0.8
274.52679	0.3
294.31470	2.3
306.31482	2.5
307.29947	1.7
308.33228	1.9
318.31558	0.5
326.34140	2.4
336.32553	8.7
337.17972	0.5
337.31000	1.5
354.33606	100.0
355.18945	0.9
355.22787	0.8
355.29211	0.4
355.33932	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	355.1017
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
63.02351	0.4
71.23848	0.7
79.05470	1.1
89.03896	5.2
107.04932	1.5
117.03361	7.2
135.04396	14.4
145.02826	11.9
145.03905	0.5
151.51884	0.3
163.03879	100.0
164.04242	2.1
185.18433	0.3
255.66109	0.3
347.48792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01861	7.2
55.05506	1.2
57.03422	5.2
57.07065	0.9
59.42095	0.9
61.02912	6.3
67.05474	0.9
68.99782	2.2
69.03421	33.2
69.07063	7.3
70.46381	3.8
71.04985	4.9
71.08626	1.5
73.02908	5.5
79.05495	1.1
79.34412	0.7
81.03403	19.8
81.07038	2.6
83.04967	1.2
85.02892	100.0
87.00816	42.9
87.01212	0.7
87.01372	0.9
87.04479	0.8
91.03948	0.8
91.05463	2.2
93.07002	1.7
95.08578	1.4
97.02879	29.3
97.06502	1.7
99.04446	10.6
101.02350	0.9
105.01851	83.3
105.07010	1.0
108.04442	1.7
109.02866	21.8
111.11699	2.7
112.92472	0.8
117.01817	1.1
121.10149	2.0
123.36163	0.7
127.03899	73.3
129.01842	2.7
131.08481	1.0
135.04391	3.0
136.06154	1.2
136.88412	0.8
137.05939	0.8
139.11160	8.9
143.07014	1.0
145.02927	1.7
145.04939	32.0
145.06104	1.7
147.02869	2.9
147.04382	1.1
157.08641	0.9
157.12234	11.3
159.02867	13.1
163.03877	10.7
163.07539	1.3
171.08086	2.1
175.07523	1.8
175.13313	3.0
187.07610	0.8
189.03955	3.1
193.08569	1.1
199.07590	1.6
205.08565	2.1
213.03900	2.8
217.08519	0.9
231.04977	23.6
235.09595	2.4
248.07635	1.1
249.05991	10.3
259.09573	2.4
266.10168	1.1
289.10632	2.1
326.11807	0.8
355.13470	1.4
355.17416	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	354.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12681	0.2
55.05508	2.8
57.07068	5.4
59.04993	34.7
67.05490	0.6
69.48690	0.3
69.81478	0.6
69.81905	1.2
70.06936	0.2
72.91225	0.2
76.58781	0.2
79.05472	0.4
80.62631	0.3
81.07030	0.7
83.08605	0.8
87.04457	10.8
89.06025	2.9
91.41688	0.2
93.07043	0.4
95.08588	0.4
101.09648	3.6
103.07565	100.0
104.07908	1.3
104.33765	0.3
105.07023	0.5
107.07069	1.0
107.08553	0.3
119.07046	3.7
121.08623	0.6
121.10123	0.8
135.04453	0.3
145.12285	0.3
163.03827	0.4
163.07529	0.5
163.13269	2.9
173.09598	1.1
175.11133	0.4
175.11501	0.4
175.13268	5.7
181.08470	0.3
262.22382	0.5
267.67435	0.2
283.13004	0.3
303.89517	0.2
337.17758	0.4
354.28088	0.5
355.18750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01868	7.0
55.97548	1.3
57.03419	5.8
61.02915	5.7
67.05507	1.6
68.99786	3.4
69.03425	35.7
71.04980	5.1
71.82008	1.5
73.02905	5.6
81.03408	21.1
81.07034	2.6
83.01315	1.7
85.02895	100.0
87.00821	45.0
91.05824	1.9
93.07028	1.7
95.08603	3.4
97.02887	31.2
99.04427	13.8
99.08057	2.3
105.01855	88.6
105.07011	1.5
107.04957	2.0
108.04449	2.6
109.02872	25.8
117.01868	2.4
117.03378	1.5
119.08586	3.1
127.03902	78.5
129.01831	4.3
129.65239	1.6
131.10728	2.4
135.04465	2.8
137.05881	1.9
145.02863	1.9
145.04945	39.4
147.02892	1.5
157.12218	4.3
159.02910	13.9
161.05994	1.9
163.03908	21.4
175.13312	1.6
189.03938	5.5
213.03856	2.4
231.04955	25.0
249.06049	8.8
290.69135	1.5
336.18048	4.9
355.11514	1.8
355.17563	1.7
369.49704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01850	1.6
55.05505	10.0
57.03421	1.0
61.02910	1.4
64.93379	0.5
69.03423	3.4
69.07059	7.2
70.11076	3.6
81.03395	1.4
83.08611	35.0
84.08961	0.6
85.02895	10.7
87.08088	1.0
93.06989	0.7
97.02864	3.0
97.06510	0.7
109.84362	0.7
111.08073	15.5
127.03890	1.4
129.09103	4.0
139.07501	1.9
145.04941	2.3
150.05521	0.8
157.08588	17.8
163.03877	1.9
175.09645	100.0
176.09975	2.0
180.08704	4.2
192.12244	3.1
193.04886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.33329	1.2
53.03939	2.5
55.01878	1.8
55.05509	12.7
57.03424	3.2
57.07072	8.1
62.70769	1.2
64.27340	1.3
65.03928	2.9
67.05499	79.5
69.07056	14.4
69.64497	6.6
69.64928	5.2
70.06590	1.3
71.04970	2.6
71.08609	3.8
79.05485	51.9
79.20583	1.2
81.07048	86.3
83.04948	1.9
83.08623	9.3
83.17549	1.1
85.06522	4.7
85.10180	2.3
86.30776	1.3
88.07618	3.1
91.04928	1.9
91.05473	26.8
93.07034	75.2
95.04930	4.9
95.08596	75.5
95.58295	1.3
96.08909	1.4
97.06512	4.0
97.10162	2.7
99.08057	5.0
105.07011	19.3
107.08585	41.9
108.08916	2.1
108.21226	1.2
109.06504	3.2
109.10144	26.4
111.08054	3.3
113.09631	2.5
117.07001	9.4
119.08561	14.7
121.10133	32.3
122.10488	1.4
123.08070	3.5
123.11687	16.9
125.09637	2.3
130.07796	1.5
130.08733	1.3
131.08554	25.7
133.10120	11.1
135.11691	25.5
137.09570	1.9
137.13213	6.5
139.11156	1.9
145.10112	17.7
146.10480	1.7
147.11662	11.9
149.09621	1.5
149.13248	21.9
151.14774	4.5
153.12813	1.5
159.11690	13.0
161.13246	11.2
163.11179	2.0
163.14799	16.6
165.12683	1.7
171.08014	1.5
173.09578	3.8
173.13245	19.2
175.14838	3.9
177.16414	6.9
179.14291	1.8
187.14813	10.6
191.14334	1.6
199.11003	1.5
201.16351	3.0
205.15900	1.8
215.18071	2.0
227.07144	2.2
227.91248	1.7
233.22603	8.9
243.21060	35.0
244.21408	2.1
258.41714	1.5
261.22122	100.0
262.22400	8.0
263.23651	2.2
279.23218	2.1
295.13416	6.3
311.16345	1.8
321.88776	1.3
335.16452	1.9
335.25827	8.1
353.10294	2.5
353.17545	14.6
353.21292	3.0
353.26889	9.3
354.17847	3.1
354.26978	1.5
354.33762	17.3
376.70313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95912	0.8
53.03928	2.8
54.39739	0.9
55.05500	11.3
57.03422	3.3
57.07067	4.2
65.03939	1.8
66.03065	0.8
67.05494	73.5
68.05824	1.2
69.07055	12.6
71.04967	2.0
71.08624	2.0
75.04461	1.8
79.05479	38.2
81.07044	88.6
82.07391	1.8
83.04945	1.2
83.08613	7.1
85.06524	2.9
91.04935	1.4
91.05463	16.3
92.05758	1.0
93.07030	56.9
95.04942	3.6
95.08590	60.0
97.06515	2.2
97.10144	3.3
99.08078	2.2
105.02755	0.8
105.07008	16.5
107.08577	39.4
108.08942	1.1
109.06532	1.0
109.10139	33.7
111.08066	2.2
113.09609	1.8
116.06189	1.1
117.07012	8.2
119.08562	14.0
121.10126	28.7
122.10447	0.9
123.08047	1.5
123.11688	18.1
129.07018	1.3
131.08548	19.3
133.10101	13.0
135.11676	24.6
135.12679	1.7
137.13231	8.4
139.11162	2.1
145.10097	15.8
146.10497	1.0
147.11665	9.8
149.13242	19.6
151.11168	2.1
151.14828	2.0
153.12703	1.5
159.11691	13.5
160.12029	1.0
161.13232	9.1
163.14807	13.3
165.12764	1.8
173.13237	17.3
175.14763	3.7
177.16344	4.5
179.14284	1.6
187.14778	10.4
201.16393	2.9
205.15726	1.2
215.17958	1.0
229.40645	1.1
233.22592	3.4
243.21046	27.5
244.21387	1.7
261.22101	100.0
262.22400	6.8
263.23648	2.2
279.23129	4.1
281.10516	1.4
335.25793	9.3
338.08926	1.0
353.26837	32.6
354.27341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
54.92301	1.0
55.05501	10.7
57.03423	4.1
57.07069	5.8
62.95636	0.8
63.59437	0.8
65.03929	2.7
67.05492	75.5
68.05814	1.5
69.07053	12.1
70.02503	4.6
71.04974	2.6
71.08611	1.5
75.04488	1.2
79.05481	36.9
81.07042	76.5
82.07355	1.4
83.04943	2.2
83.08588	6.6
83.60613	0.8
85.06525	2.6
91.05460	19.9
93.07030	50.9
94.07355	1.5
95.04958	2.1
95.08589	59.6
97.06507	2.7
97.10156	3.0
99.08089	2.2
105.07012	15.8
107.08576	36.1
108.08899	1.0
109.06506	1.3
109.10134	32.3
111.08060	3.0
113.09652	1.1
117.07005	9.3
119.08560	14.1
121.10125	30.3
122.10439	1.2
123.08037	1.2
123.11681	17.5
125.09548	1.0
126.61163	0.9
127.11154	1.0
131.08548	19.0
132.08971	0.9
133.10118	12.0
135.11676	27.3
137.09639	1.9
137.13216	7.9
139.11142	1.1
145.10104	15.2
147.11682	11.0
149.13237	18.5
151.11183	1.5
151.14821	2.5
153.12703	1.2
159.11678	13.8
161.13225	8.3
163.14775	12.8
165.12704	1.9
166.38538	0.9
173.13234	14.2
175.14778	3.4
177.16393	3.5
179.14334	2.1
187.14777	11.1
201.16388	2.4
205.15750	1.7
215.18044	1.0
219.17433	1.1
233.22577	3.2
243.21051	23.3
244.21404	1.6
256.10883	1.1
261.22101	100.0
262.22476	7.4
263.23578	1.7
279.23172	2.9
282.90555	1.1
293.04361	1.0
317.24686	1.2
335.25821	7.6
353.17377	1.4
353.26797	34.4
354.27182	2.8
366.29330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	1.9
55.01876	1.0
55.05500	13.7
57.03424	7.3
57.07069	5.0
65.03938	2.8
67.05495	91.9
68.05824	2.1
69.07055	13.2
69.57775	3.6
69.58201	5.5
71.04994	2.2
71.08606	2.0
75.04459	1.2
77.03870	1.0
79.05480	38.8
81.07044	100.0
82.07384	2.3
83.04952	1.7
83.08597	6.4
85.06532	2.6
87.31057	1.0
91.05465	19.8
93.07032	50.1
94.07360	1.6
95.04971	2.6
95.08591	77.9
96.08963	1.1
96.42547	1.0
97.06519	3.5
97.10138	4.2
99.08080	3.0
105.07009	17.0
107.08578	35.2
108.08885	1.2
109.06503	2.1
109.10141	45.6
110.10429	1.0
111.08080	2.2
111.11742	1.4
113.09674	1.7
117.07014	9.2
119.08555	15.8
121.10128	33.0
122.10500	1.5
123.11689	25.7
124.12041	1.1
125.09577	2.1
127.11121	1.1
129.06993	1.2
130.07748	1.3
131.08554	18.4
133.10107	12.0
135.11676	28.2
137.09549	1.6
137.13219	8.1
138.13614	0.9
145.10109	16.2
147.11647	12.1
149.13245	22.0
151.11133	2.6
151.14790	3.1
153.12683	1.3
155.10635	1.2
159.11676	13.9
161.13226	11.2
163.14789	13.5
164.15111	0.9
164.87610	1.0
170.78313	0.8
173.13245	17.0
175.14812	3.2
177.12733	2.4
177.16365	3.6
187.14799	9.5
191.14244	1.6
195.36139	1.0
201.16420	2.5
215.17920	1.4
219.17555	1.3
233.22635	3.2
243.21063	26.4
244.21480	1.6
261.22104	95.8
262.22513	6.7
279.23218	6.0
293.55505	0.9
317.24765	1.8
335.25726	15.0
353.26834	37.3
354.27203	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.6
55.01876	0.8
55.05506	14.1
57.03431	6.4
57.07060	4.6
65.03922	3.0
67.05493	92.1
68.05820	1.9
69.07056	13.8
71.04975	2.6
71.08624	1.6
75.04469	2.1
79.05481	40.4
80.05799	1.0
81.07043	100.0
82.07378	3.1
83.04976	1.6
83.08616	7.8
85.06100	0.6
85.06509	3.1
91.05466	20.0
93.07029	55.6
94.07359	1.7
95.04964	2.7
95.08591	73.4
96.08944	2.2
97.06507	3.0
97.10159	4.0
99.08096	2.4
105.07014	16.3
107.08578	36.3
108.08916	1.5
109.06518	1.7
109.10140	40.0
110.10505	1.1
111.08052	2.1
111.11758	0.9
113.09650	1.5
117.06991	8.0
118.08492	0.7
119.08559	14.8
121.10126	29.5
122.10431	0.7
123.08068	1.8
123.11688	22.4
124.12021	1.0
125.09638	1.7
131.08556	20.7
132.08891	1.4
133.10107	12.8
135.11667	28.9
136.11998	1.0
137.09581	1.6
137.13222	8.5
139.11209	1.2
145.10091	14.4
146.10484	1.1
147.11652	10.1
149.09700	0.7
149.13237	19.3
150.13603	0.9
151.11180	1.5
151.14803	2.6
153.12747	1.3
159.11676	14.1
161.13217	9.3
163.11174	1.2
163.14792	13.1
163.71211	0.7
164.15154	0.7
165.12758	2.3
165.16409	1.1
173.13226	15.1
173.14587	1.1
174.13570	0.8
175.14757	3.2
177.12724	1.5
177.16356	5.7
179.14317	1.8
187.14798	10.2
191.14302	2.4
201.16295	3.9
205.15854	1.4
209.15350	0.7
213.20979	0.6
215.17863	1.8
219.17529	0.9
223.16978	0.8
233.19060	0.6
233.22520	4.2
243.21053	29.5
243.23567	1.4
244.21400	2.3
261.22104	95.4
262.22427	8.7
263.23761	1.2
279.23135	7.1
317.24808	1.2
335.25748	18.4
336.26254	2.0
353.26810	36.0
354.27194	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30407	2.3
52.52871	2.2
55.05499	6.5
57.07056	6.1
59.28991	2.4
59.94705	2.4
65.03938	2.7
67.05482	10.9
69.03402	5.1
69.07066	16.0
69.85616	17.8
70.06580	2.2
73.06554	4.1
74.32046	2.7
78.31622	2.4
79.05460	8.6
80.39940	2.3
81.03379	3.3
81.07049	100.0
82.07378	2.6
83.08614	5.5
85.02902	18.0
85.06538	13.9
93.07059	4.1
95.04934	3.4
95.08596	55.7
96.08928	3.0
97.02901	6.6
99.08061	4.3
105.07030	2.4
107.08504	3.0
109.10139	6.1
111.11717	20.1
113.09582	2.6
120.08079	6.7
121.10172	3.3
124.12018	2.5
127.03916	4.3
130.06522	12.6
132.08058	11.2
137.13240	82.8
142.06505	2.8
144.08055	13.5
145.04988	2.7
146.06026	4.8
147.04369	4.3
155.10651	3.6
155.14276	23.2
159.07928	3.6
159.09161	34.6
170.05986	7.5
173.11789	4.1
173.15334	3.2
188.07066	3.0
279.04706	2.4
297.47757	2.6
335.13797	11.1
336.13947	2.8
343.48788	2.5
352.12808	2.9
352.16983	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	352.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
57.07059	7.9
62.46328	3.0
67.05493	9.6
69.03398	5.4
69.07072	19.6
70.20609	11.1
70.21027	5.4
71.08577	2.8
79.05470	5.8
81.07047	100.0
83.08617	3.7
85.02894	20.2
85.06525	14.7
85.52559	3.4
90.30038	3.3
91.05458	6.4
95.04957	4.4
95.08593	60.6
97.02890	5.9
97.10143	3.3
99.08080	10.5
105.46677	2.7
107.08592	3.7
109.10136	6.3
111.11722	17.0
113.09657	3.7
120.08105	8.9
129.27248	2.9
130.06506	13.1
132.08034	15.8
137.13242	80.5
138.13625	4.1
144.08098	13.0
145.04959	6.3
146.05992	7.1
147.04387	4.1
155.10722	4.3
155.14282	20.7
159.09175	25.9
160.07558	4.9
170.05989	7.8
172.07593	3.8
173.11722	5.3
173.15329	4.5
179.15070	3.0
210.08444	3.7
229.53656	3.7
234.79993	3.1
242.19746	3.0
261.22015	3.1
335.13907	15.8
352.12643	5.5
353.15384	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	352.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43960	0.9
68.87074	1.0
69.03435	1.4
69.07052	5.9
69.57764	4.5
69.58192	5.5
71.08620	54.0
73.06532	1.3
82.08811	0.9
85.02896	5.7
95.08585	1.0
96.15461	0.9
97.02859	1.2
99.08080	100.0
100.08448	1.4
107.04010	1.1
129.12729	12.9
132.28757	1.1
155.14249	2.1
173.15355	54.5
174.15681	1.2
255.28488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73077	3.2
55.05485	8.0
57.07059	5.8
67.05480	10.4
69.03411	4.2
69.07051	15.4
70.06569	4.4
71.63269	6.4
73.06532	2.9
74.42543	3.2
78.04678	2.6
79.05460	5.1
81.07043	100.0
83.08562	3.9
84.08114	3.7
84.41062	3.1
84.76741	2.9
85.02900	16.8
85.06548	15.1
91.05454	3.6
93.07014	8.0
95.04962	3.7
95.08021	4.5
95.08588	65.3
97.10132	2.9
99.08056	7.3
99.48711	2.6
105.07004	4.0
107.08577	3.7
109.10146	6.3
111.11692	17.8
113.09650	3.9
119.08458	3.9
120.08063	8.6
123.08013	3.4
127.03889	5.9
130.06499	12.1
132.08060	16.1
137.13231	96.7
138.13579	3.7
144.08083	14.4
145.04836	3.0
146.05957	6.1
155.10634	5.4
155.14264	26.7
159.09161	32.5
170.06058	4.3
173.09579	3.7
173.11678	5.6
225.80360	2.8
249.08412	2.9
320.09833	3.7
335.13626	16.9
352.16617	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	352.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01871	0.9
55.05501	2.4
56.96565	1.9
57.03431	2.2
58.06591	1.5
59.04990	0.6
60.04523	0.4
61.02918	3.4
65.03922	1.4
67.05494	3.7
69.03422	9.4
69.07060	1.9
70.06580	12.3
70.19004	2.1
71.04980	1.0
72.08147	0.5
72.93784	0.3
73.02901	1.4
74.09724	0.4
79.05476	1.0
80.60381	0.3
81.03407	3.1
81.07042	1.0
83.04968	13.1
83.08588	0.9
84.04496	0.3
84.08133	3.2
85.02895	21.4
85.06539	0.4
86.06079	0.4
86.09696	5.0
87.04452	1.4
88.07626	0.7
89.03913	2.2
91.03946	1.4
91.05457	1.1
93.03395	1.8
95.04963	2.4
97.02888	5.7
97.06527	0.6
97.10144	0.5
98.21398	0.4
98.97560	1.9
99.04453	1.3
99.06795	0.3
100.07609	0.4
100.11233	4.5
105.03374	0.7
107.04934	1.7
109.02870	2.6
109.06521	1.0
111.04430	13.3
113.02354	0.8
113.05982	0.4
114.05458	0.3
115.03944	0.7
116.07066	3.9
116.98610	1.7
117.03364	1.9
119.04929	1.6
120.08085	1.0
121.02828	0.5
123.04408	11.8
126.12776	17.1
127.03911	3.6
127.07527	0.9
128.98578	1.0
129.05463	5.8
133.02827	2.8
134.99652	1.2
135.04378	3.8
136.06284	0.4
136.07533	0.6
137.02298	0.9
137.05984	1.4
139.03877	3.7
140.00192	0.4
143.00162	0.7
144.13817	52.7
145.02850	2.0
145.04926	2.3
145.06525	0.4
145.14102	0.9
146.99596	0.7
147.04359	3.7
148.03914	1.6
151.03880	1.6
152.98433	0.4
153.05525	0.7
153.06963	1.0
155.03384	0.8
155.06989	2.0
157.04927	2.3
158.99583	0.5
161.01169	0.8
161.02347	3.0
162.05482	2.5
163.03885	17.7
164.04222	1.7
169.06429	0.4
172.13324	6.3
173.04411	1.1
173.05835	0.7
173.08081	3.1
177.00641	0.7
178.05037	0.6
179.02000	0.5
179.03392	5.1
181.06395	1.0
182.08136	0.4
186.14813	0.6
189.00681	0.6
190.03468	0.6
190.04993	2.9
190.14359	100.0
191.14673	2.1
197.04465	1.9
197.06029	0.8
199.07507	0.9
203.05484	0.7
207.02873	2.7
214.14278	0.5
215.07004	0.6
219.01736	1.6
220.11922	1.3
237.02855	2.7
238.03207	0.5
243.06554	0.8
260.04291	0.4
271.06039	0.6
271.29321	0.4
278.88748	0.4
289.06992	0.5
303.07361	0.4
310.08670	0.7
311.04810	0.4
316.17380	1.5
319.06931	0.5
321.08386	0.6
334.18478	0.6
349.08005	1.2
352.09943	0.8
352.15604	0.5
352.19617	10.9
353.08603	4.4
367.08878	1.0
368.82245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01856	1.0
57.03423	1.1
67.05487	1.9
68.99802	0.8
69.03418	2.0
70.93742	1.3
70.94102	1.9
76.58952	0.8
79.05476	2.4
81.03386	0.9
81.07047	19.2
85.02899	8.3
85.06528	1.9
86.09718	0.8
87.17988	0.7
91.05468	4.4
93.07039	7.2
97.02886	2.5
109.06506	29.2
110.06809	0.8
111.04415	2.4
119.04929	5.3
123.04403	0.9
127.07536	5.0
129.05540	0.7
133.02802	0.9
137.05962	100.0
138.06296	2.3
142.81131	0.6
145.04973	1.4
155.07014	49.9
156.07312	1.1
173.08083	45.6
174.08473	1.2
178.62643	0.7
179.03386	1.9
179.19679	0.7
180.08632	2.2
190.10741	2.4
219.88336	0.8
221.82085	0.7
373.42276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01853	1.4
55.05488	0.6
56.05039	0.4
56.96310	0.4
56.96563	4.7
57.03434	2.2
58.06592	12.2
59.05000	0.7
61.02916	3.5
63.02370	0.3
65.03932	0.8
67.05512	1.9
69.03046	0.5
69.03418	9.1
69.07053	6.7
70.06581	2.8
71.04970	1.0
72.08124	0.3
73.02908	1.5
74.06063	0.5
74.96007	0.3
74.97612	0.4
76.07629	0.5
79.05461	0.8
81.03416	3.8
81.07056	1.6
83.01324	0.4
83.04967	4.7
84.04476	0.6
84.08135	1.9
84.34154	0.3
84.96013	0.7
85.02895	22.3
85.06529	1.1
86.03207	0.4
86.06055	1.0
86.09696	4.8
87.04454	1.4
89.03899	4.0
91.03933	1.2
91.05463	2.4
93.03370	1.0
95.04944	1.5
97.02881	7.1
98.09789	0.3
98.96965	0.7
98.97571	8.7
99.04424	1.5
99.06812	0.5
99.97916	0.7
101.02415	0.4
102.09170	1.1
107.04932	2.0
109.02874	1.8
109.06500	1.6
109.10143	0.4
110.97567	1.3
111.03666	0.4
111.04429	5.3
112.07597	0.5
115.03907	0.4
116.98609	6.0
117.03363	3.9
118.03738	0.4
119.01855	0.7
119.04950	3.2
123.04425	4.7
123.05415	0.7
126.12774	18.4
127.03913	4.6
127.07500	0.3
128.98572	1.7
129.05453	2.6
130.08603	1.5
131.00099	0.8
131.01779	0.3
133.02815	1.2
134.99657	2.7
135.04398	7.9
136.04736	0.8
136.06172	1.2
137.05965	1.6
139.03903	1.7
143.00108	1.7
144.10202	1.9
144.13817	65.4
145.02808	4.1
145.04907	2.8
145.14146	1.0
146.03227	0.4
146.99614	1.7
147.03313	0.7
147.04384	10.5
148.04758	0.7
148.06163	1.7
149.01196	0.7
151.03877	1.4
153.06920	0.5
155.07004	4.9
157.04959	1.2
158.99623	4.0
160.00012	0.4
161.01176	2.2
161.02377	1.1
162.05463	0.5
163.03888	36.4
164.04214	3.7
165.00555	0.5
165.04326	0.8
170.99611	1.0
171.07765	0.5
172.13335	5.5
172.95256	0.5
173.08090	3.8
174.04379	0.4
177.00693	5.2
179.03426	2.4
185.01207	0.6
186.04395	1.3
187.02879	0.7
187.04491	0.4
189.00679	1.0
189.04279	0.6
190.03319	0.7
190.04884	1.2
190.10880	2.6
190.14357	100.0
191.14658	1.9
195.01761	0.8
197.04486	0.6
198.03172	0.4
201.00656	0.7
203.02148	0.5
204.05347	1.6
205.03751	0.6
207.02928	0.4
207.05313	0.4
211.02699	0.4
214.14322	0.5
219.01743	4.0
220.01939	0.4
220.11906	6.7
223.01048	0.4
227.06755	0.4
229.03818	0.5
231.01758	0.4
232.99556	0.4
237.02797	5.2
238.03130	1.2
239.02260	0.4
243.06343	0.3
247.04915	0.5
249.02553	0.8
255.03787	0.4
267.03934	0.7
272.06290	0.4
279.03824	1.2
289.05927	0.6
292.07767	1.1
303.07495	0.5
307.07047	1.4
309.08591	0.9
310.05478	0.5
310.08890	3.3
316.17413	0.4
321.08502	1.0
331.07257	0.4
334.18604	0.5
342.08539	0.3
349.07993	4.1
350.08417	0.7
352.10513	4.0
352.15836	1.7
352.19656	13.4
353.08301	2.0
353.20276	0.5
355.08832	0.4
360.09488	0.5
367.09048	1.7
367.36926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01869	7.9
55.05497	4.6
55.49449	1.4
57.03424	7.9
61.02931	9.2
67.05501	10.7
68.99782	2.2
69.03421	33.5
69.07059	87.5
69.93746	1.9
70.06572	2.4
71.01334	2.0
71.04986	9.5
71.80927	2.7
72.08146	2.3
73.02902	6.1
74.00668	1.8
78.21905	1.5
79.05485	4.4
81.03404	19.3
81.07038	11.5
83.04946	3.4
83.08611	1.8
84.04506	2.5
85.02895	100.0
85.06524	3.0
86.09695	6.7
87.00820	40.9
87.04467	2.3
88.03969	1.8
91.03941	1.7
91.05480	5.6
93.07053	7.9
95.04942	5.8
95.08595	12.2
97.02879	56.8
97.06521	6.0
99.04436	12.2
102.05513	2.0
103.03961	2.2
105.01854	85.8
105.07008	2.8
107.04926	2.0
107.08613	3.3
108.04501	3.1
109.02869	22.5
109.06513	2.2
109.10167	10.1
111.04431	1.9
111.08070	8.0
113.05972	5.7
115.03977	2.2
117.06953	2.1
119.08553	5.0
121.06506	3.0
121.10143	3.7
123.08073	2.9
127.03899	81.5
127.07494	3.1
127.11150	1.8
129.01826	3.3
131.08563	3.5
135.08020	4.0
135.11670	2.4
137.05951	1.8
137.09605	7.0
139.03854	2.3
141.05432	4.5
145.04939	52.3
145.10063	1.8
147.02840	2.6
147.08029	1.9
149.09579	3.8
149.13297	1.6
153.09111	3.9
155.06940	3.4
155.10646	23.4
155.14265	1.9
159.02866	15.8
159.11809	2.5
161.13271	2.6
163.81657	1.5
165.09038	2.6
173.08133	2.3
173.09589	2.9
173.11726	5.4
175.07512	2.0
177.09138	4.3
179.03372	2.3
189.03975	2.8
191.06966	2.0
191.10683	2.3
193.04984	2.0
195.10170	6.2
195.13805	2.7
213.03906	3.3
213.11214	1.6
213.14825	4.9
229.12608	1.6
231.03154	1.5
231.04984	35.0
231.07137	3.1
248.07741	2.8
249.05968	16.6
299.11234	2.5
316.15909	2.4
333.32965	1.7
334.13144	2.8
334.16721	9.4
353.16342	1.8
366.85367	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.01862	2.0
55.05507	19.9
56.50440	1.4
57.03428	6.0
57.07071	4.7
59.04992	1.6
65.03921	2.1
67.05496	48.0
67.58580	1.4
69.03393	2.0
69.07066	16.7
70.91906	1.6
71.04983	5.2
75.04469	3.0
79.05485	61.5
81.07043	49.0
81.07497	3.2
81.53541	1.3
83.04980	2.9
83.08602	5.5
85.06521	3.1
91.05466	59.2
93.07033	81.3
95.04971	8.9
95.08595	33.1
97.06539	4.7
97.10152	2.7
99.04364	1.4
99.08105	5.4
103.89460	1.3
104.53722	1.4
105.07013	64.2
106.07360	1.9
107.08580	47.4
109.06530	5.8
109.10125	12.7
109.83044	1.3
113.06021	1.7
113.09634	2.3
117.06983	15.0
119.08565	55.7
119.09419	3.1
120.68426	1.4
121.06506	2.5
121.10133	37.3
121.10990	2.2
123.08061	2.8
123.10856	1.4
123.11714	4.5
129.07019	10.6
131.08554	24.9
133.10115	51.1
134.10353	1.7
135.08072	1.8
135.11679	34.9
137.09631	2.3
139.11188	2.1
143.08514	9.3
145.10104	24.1
147.11670	50.0
149.09668	1.6
149.13237	21.4
157.10091	8.9
159.11694	19.4
161.13239	37.5
163.11137	3.7
163.14859	5.8
165.12833	3.2
169.10205	2.4
171.11664	13.6
172.12262	1.5
173.13274	13.0
175.11172	3.5
175.14807	14.5
177.12790	4.3
185.13263	14.0
189.12759	1.7
190.37891	1.6
191.14435	2.1
195.13817	1.8
197.13216	1.8
199.14825	8.2
203.14246	2.0
213.16364	4.9
217.15822	1.5
218.24216	1.5
225.12814	2.2
231.17493	1.6
231.21021	10.4
241.19495	33.4
259.20538	100.0
260.21088	2.8
277.21625	6.5
291.06876	1.8
315.19452	1.9
333.24356	4.7
351.08710	3.5
351.19247	3.3
351.25342	77.6
352.25897	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.05243	2.5
55.05503	19.2
57.03444	8.6
57.07066	5.6
65.03914	1.8
67.05496	46.9
69.07054	16.0
69.45783	16.7
71.05000	3.8
71.08615	1.7
75.04476	2.4
79.05482	71.7
81.03432	1.5
81.07046	54.6
83.04987	2.8
83.08600	7.5
84.76938	1.3
85.06542	4.6
89.06002	1.6
91.05468	52.9
93.07034	97.4
94.07361	1.5
95.04953	8.5
95.08596	40.8
97.06538	3.0
97.10127	1.9
99.08080	3.3
105.07014	56.0
107.08581	54.6
109.06515	3.7
109.10146	15.1
111.08111	1.7
113.09642	2.3
117.06998	13.2
119.08563	50.1
121.10129	47.2
122.10455	1.8
123.08072	2.1
123.11683	3.7
123.76828	1.5
128.06209	2.2
129.07010	7.0
131.08560	21.8
133.10106	49.2
135.08110	2.8
135.11679	47.3
137.09595	3.1
143.08556	10.6
145.10106	21.4
147.11667	44.8
149.09612	4.6
149.13237	24.8
157.10106	8.2
159.11652	20.6
161.09631	2.2
161.13243	33.3
163.11189	2.5
163.14803	8.5
165.12770	2.0
171.11642	14.8
173.13206	10.8
175.11227	1.7
175.14810	19.3
177.12726	2.2
179.14220	1.5
180.44092	1.5
185.13197	13.4
187.14822	4.6
189.12755	2.3
189.16443	2.1
191.14302	2.0
199.14835	6.9
203.14270	2.0
213.16388	5.6
215.17998	1.9
217.15887	1.9
217.19562	3.0
231.17548	2.6
231.20976	7.7
241.19507	35.2
245.85529	1.6
259.20541	100.0
260.20953	5.4
261.22134	1.6
277.21561	18.9
333.24170	11.8
349.78436	1.5
351.25308	99.8
352.25732	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
53.52250	1.4
53.87532	1.3
55.01859	3.6
55.05503	13.3
57.03425	4.2
57.07057	4.1
59.25694	1.3
65.03935	2.1
67.05497	35.0
69.07053	12.4
71.04974	2.9
71.80002	2.3
71.80352	1.5
71.81894	1.3
79.05482	55.2
81.07044	39.4
83.04964	1.7
83.08598	6.9
83.98649	1.4
85.06527	2.9
91.05469	49.8
91.06049	2.6
93.07033	71.7
95.04962	6.4
95.08592	29.7
97.06531	2.6
97.10177	1.5
99.08064	4.9
105.07013	57.1
107.08585	45.6
109.06499	1.7
109.10147	10.7
111.08064	2.9
113.09665	2.5
115.05460	1.7
117.06997	12.3
119.08565	48.2
120.08908	1.4
121.10131	30.3
123.08016	1.3
123.11684	3.4
125.09630	1.7
128.06189	2.1
129.06998	9.7
131.08556	19.1
133.10112	46.8
135.08052	1.9
135.11682	34.1
135.60152	1.4
137.09595	1.9
143.08521	9.8
145.10103	18.4
147.11665	46.0
149.09602	3.8
149.13258	19.0
157.10112	10.6
159.11703	17.0
161.13248	39.0
163.11191	3.2
163.14774	7.2
165.12868	1.4
171.11671	13.9
173.13225	10.6
175.11183	2.6
175.14796	19.3
177.12823	2.8
179.14342	2.3
185.13225	15.5
187.14796	3.5
189.12772	2.4
189.16380	2.1
199.14784	6.4
201.16350	1.7
213.16360	3.3
215.17914	2.4
217.15839	2.5
217.19543	3.0
231.17453	2.1
231.21063	8.7
241.19482	36.6
242.19780	1.9
259.20538	100.0
260.20941	5.6
277.21643	4.9
297.97906	1.4
333.24146	3.0
351.25284	83.7
352.25647	4.8
364.04498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01876	1.3
55.05287	1.9
55.05508	19.5
57.03426	7.4
57.07061	2.9
65.03931	3.1
67.05497	44.2
69.03417	1.5
69.06747	1.6
69.07061	15.1
71.04977	4.1
71.08621	2.4
75.04465	2.8
77.03895	1.6
79.05482	61.0
79.05945	3.2
81.03404	2.6
81.07048	53.2
83.04999	2.9
83.08619	9.9
85.06521	4.0
91.05466	44.7
93.07034	87.4
95.04958	7.2
95.08595	33.0
97.02898	1.4
97.06514	4.7
97.10168	3.7
99.08069	5.3
105.07015	53.8
107.08577	47.4
109.06506	4.8
109.10139	17.9
111.08031	1.8
113.09601	1.9
117.07006	13.8
119.08565	50.8
121.10133	42.5
123.11732	4.9
125.09546	1.8
129.05403	1.6
129.06973	8.0
131.08572	18.8
133.10114	43.1
134.10416	1.9
135.08051	2.2
135.11673	41.5
136.12001	1.8
137.09666	1.4
143.08565	9.2
145.10106	21.5
147.11664	44.0
149.09645	4.7
149.13254	27.6
151.11139	1.5
157.10112	9.6
159.11691	19.0
161.09637	1.9
161.13243	35.4
163.11166	4.6
163.14809	11.4
167.63066	1.4
171.11658	14.8
173.13232	14.5
175.11197	2.9
175.14815	21.7
177.12738	3.6
179.14285	4.9
183.87965	1.3
185.13211	13.4
187.14806	2.2
189.12726	2.8
189.16335	1.6
190.12337	3.3
191.14259	2.1
199.14804	6.4
201.16382	1.5
203.14349	1.6
213.16360	3.7
217.15814	1.6
217.19550	5.2
221.15329	1.7
231.17421	2.8
231.21045	9.2
241.19481	38.8
242.19815	1.8
259.20544	95.8
260.20920	4.3
277.21609	18.9
333.24203	10.1
351.25311	100.0
352.25708	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84291	1.4
53.03936	4.7
55.01837	3.3
55.05281	1.9
55.05503	20.6
57.03430	14.9
57.07058	6.5
62.54254	1.8
65.03934	1.9
66.72177	1.5
67.05495	48.2
69.03413	2.1
69.07055	19.6
71.04973	4.0
71.08620	54.4
71.18231	3.7
79.05034	3.0
79.05482	46.8
80.07127	1.5
81.03397	6.6
81.07046	56.3
83.04964	8.5
83.08602	8.7
85.06553	3.0
85.53606	1.3
91.05463	31.4
93.07032	56.5
95.04947	10.7
95.08590	35.9
97.06516	10.1
97.10168	4.4
99.08083	38.3
99.49229	1.5
105.04499	1.4
105.07021	21.9
107.04955	6.5
107.08582	31.3
109.06512	4.5
109.10132	16.3
111.08075	4.3
113.09631	3.9
117.07005	4.0
119.08557	16.9
121.06503	3.1
121.10130	31.7
123.08066	2.6
123.11717	3.3
125.09615	3.0
129.06973	2.6
131.08565	4.9
133.06367	1.5
133.10104	16.4
135.08040	3.3
135.11671	31.2
137.09648	4.3
139.11188	2.4
141.09077	3.2
143.08545	4.7
145.10098	6.0
147.11681	8.4
149.09624	1.8
149.13222	10.8
151.11163	17.3
153.09102	1.5
153.12762	4.3
157.10130	2.0
159.11707	5.2
161.13222	13.4
163.11183	6.3
163.14897	1.9
165.05431	1.5
165.12845	1.7
167.10704	1.9
171.11699	3.9
173.09497	1.3
173.13200	2.0
175.14789	2.6
177.12749	4.5
179.14293	100.0
180.14647	4.3
185.13214	2.9
189.12764	2.6
195.13760	2.3
199.14845	2.0
207.13840	1.7
211.04149	1.9
213.16440	2.1
219.10262	1.5
221.15392	3.7
235.16927	5.6
241.19460	6.1
257.11832	1.5
259.20618	9.0
277.21594	51.3
278.21921	1.7
315.15894	2.3
333.17084	4.8
351.19266	3.4
351.25323	62.2
352.25620	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49218	1.7
53.03937	3.9
55.01881	2.2
55.05501	19.4
57.03434	9.1
57.07067	3.2
61.02914	2.6
65.80034	1.6
67.05140	3.0
67.05492	43.0
69.03402	3.4
69.07065	19.9
69.76070	12.8
71.04972	4.7
71.08632	1.7
75.04451	3.3
79.05479	62.6
81.03410	3.9
81.07040	55.5
83.04957	4.0
83.08616	9.4
85.02876	3.7
85.06528	3.1
91.05032	1.1
91.05462	56.5
93.07027	81.9
95.04955	7.7
95.08585	38.9
97.06510	4.1
97.10140	3.4
98.21404	3.2
99.08049	2.5
105.07007	56.0
107.08582	53.1
109.06477	4.8
109.10136	16.2
111.08083	2.9
113.09656	2.6
116.98455	2.0
117.07011	11.4
119.08562	56.2
121.10124	44.5
123.11661	4.2
129.05470	3.2
129.06956	10.2
131.08531	18.3
133.10110	48.9
134.02127	1.7
134.20395	1.7
135.08063	3.3
135.11671	46.2
135.98871	1.6
136.12036	2.4
137.09583	2.6
139.11194	2.1
143.08528	9.0
145.10095	22.4
147.11664	43.1
149.09631	2.9
149.13237	28.9
151.11150	2.5
157.10112	10.8
159.11676	17.0
161.13235	40.0
163.11156	5.0
163.14801	7.4
171.11646	14.4
173.01015	2.4
173.13194	12.2
174.98982	2.5
175.11185	4.8
175.14809	21.5
176.06509	1.4
177.12756	3.9
177.16432	2.5
181.12221	3.0
185.13245	13.5
187.14793	5.4
189.00583	3.9
189.12733	3.1
191.14285	1.8
199.14780	8.0
203.14270	3.6
211.13216	2.4
213.16393	5.4
215.17899	2.3
217.15906	1.9
217.19493	6.2
221.15306	2.6
231.17506	3.5
231.21065	7.9
241.19487	39.7
242.19685	1.8
249.18990	1.7
259.20541	100.0
260.20917	4.5
261.21957	1.8
273.06262	4.1
277.21555	14.7
333.24176	10.8
351.12515	2.5
351.25296	93.6
352.25537	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01857	2.6
55.05500	14.7
57.03427	3.6
57.07064	5.0
58.16558	1.3
61.18546	1.3
64.68101	1.3
65.03942	2.2
67.05496	36.6
69.07053	14.4
70.80991	2.5
70.81390	3.1
71.04980	4.4
71.08627	2.8
73.51057	1.4
75.04478	2.5
79.05483	56.2
79.67850	1.3
81.07047	42.6
83.04971	2.7
83.08586	6.7
85.06537	4.6
91.05463	57.2
93.07030	77.2
95.04957	4.9
95.08587	31.0
97.06544	5.1
97.10152	2.0
99.08091	3.9
105.07014	55.5
107.08580	37.9
109.06542	4.7
109.10143	11.2
109.10781	1.7
111.08069	2.3
113.09669	2.0
117.06998	12.1
119.08562	51.9
121.06503	2.3
121.10131	32.3
123.08110	1.7
123.11686	3.0
128.06201	1.8
129.06985	10.4
131.08548	17.3
133.10107	43.9
134.10458	3.2
135.08066	3.4
135.11678	33.4
136.11946	1.9
137.09663	1.6
142.07780	1.8
143.08553	10.4
145.10112	20.9
147.11664	48.7
149.09593	3.9
149.13254	17.3
151.11157	2.4
153.09123	1.8
155.08591	1.3
157.10091	12.3
159.11644	16.5
159.12764	1.4
161.09656	2.2
161.13242	38.0
161.14532	2.7
163.11185	5.2
163.14824	6.6
165.12729	1.5
169.10159	2.4
171.11664	16.1
173.13243	10.1
175.11232	2.3
175.14807	19.2
177.12737	4.5
183.11800	1.5
185.13240	14.0
187.14824	3.3
189.12761	2.5
191.14395	1.6
199.11159	1.8
199.13168	1.5
199.14784	7.2
203.14384	2.1
213.16385	5.1
215.18051	2.5
217.19479	2.9
231.17523	1.8
231.21017	11.6
241.19463	32.4
259.20544	100.0
260.20963	6.1
277.21603	4.7
291.68170	1.3
333.24429	4.6
351.25381	73.5
352.25558	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	351.1224
Annotation	4'-O-Methylderrone
Peak:m/z	Relative Intensity
55.01865	0.7
55.05494	0.5
65.03925	0.5
67.05483	0.8
67.72575	0.4
68.99783	4.7
69.03401	0.5
69.07040	0.4
69.78902	2.8
71.01344	0.5
79.05443	0.6
79.05866	0.3
81.07052	0.9
83.04948	0.6
84.03153	0.4
85.02901	0.8
91.05472	1.2
93.03369	0.3
93.07026	0.5
95.04941	0.9
97.02856	0.3
98.20984	1.3
105.07005	1.1
107.04931	0.5
111.00797	6.8
111.04425	1.4
117.41441	0.4
119.08589	0.6
121.02881	0.6
121.06485	0.4
121.10142	0.4
123.04400	3.1
127.03857	0.7
129.06989	0.9
131.08545	0.6
133.06398	0.3
135.04382	0.6
137.05939	0.4
139.03885	38.3
140.04202	0.6
141.06970	1.7
145.10123	0.5
149.02415	0.3
149.06041	0.4
151.03918	0.4
152.06189	0.4
153.05472	0.5
153.06963	0.9
154.07832	0.6
155.08519	3.0
157.06438	0.6
157.10059	0.4
159.11496	0.3
160.05177	1.2
161.05975	1.5
163.03886	12.2
165.06996	1.4
167.08511	1.7
168.05695	2.6
169.06514	3.7
169.10109	1.4
171.07903	0.4
173.05937	2.1
173.09703	0.4
175.07539	2.4
177.05405	1.6
178.07756	0.9
179.07007	0.5
179.08521	5.3
181.06522	0.7
182.07233	1.6
183.07993	1.8
184.05177	0.6
185.05986	0.3
186.06732	1.8
187.07533	3.0
189.05524	0.6
191.06731	0.5
191.08165	1.0
193.06485	0.6
193.10114	0.9
195.08040	1.6
196.05168	1.4
197.05951	7.4
197.09608	11.2
197.11438	0.6
198.06673	0.9
198.09901	0.6
199.07597	0.8
201.09085	19.9
202.09468	1.0
206.07205	0.4
207.08046	3.2
208.08794	0.5
210.06735	8.4
211.07550	5.0
211.11153	1.9
212.08275	1.2
213.09068	4.2
221.09537	2.0
223.07495	0.5
223.11009	0.6
224.08270	0.8
225.09077	38.8
226.09723	4.5
229.08493	0.7
231.07947	0.5
234.06656	0.6
235.07474	1.1
238.06099	0.9
239.06912	1.0
239.10619	6.6
241.08546	0.6
241.12154	2.7
247.07542	0.7
247.11076	0.3
248.08366	1.1
249.08957	2.0
251.07065	0.4
252.07813	0.6
259.07523	0.5
263.07010	1.2
263.10623	1.1
265.12317	0.5
267.06143	0.5
267.07263	0.6
267.10175	7.8
268.10345	0.4
272.76703	0.3
275.07047	1.2
276.07843	2.4
277.08548	1.5
277.12125	1.1
279.06464	0.7
287.07059	1.4
287.10477	0.5
290.09369	0.4
291.10202	0.7
292.07394	0.7
293.07996	1.0
294.08798	1.3
295.05994	4.6
295.09280	0.7
300.07883	0.4
303.06433	2.2
304.07413	1.8
305.08011	4.0
305.11707	1.6
308.06842	1.1
309.07513	3.6
309.10916	0.6
315.10120	1.2
315.15927	0.4
318.08951	1.0
319.09525	1.0
321.07559	17.2
322.08310	30.0
323.08969	4.1
323.12820	1.9
324.09430	0.4
333.11182	10.2
334.14261	0.5
335.09067	0.4
336.09940	1.0
351.12231	100.0
352.12549	5.9
353.99472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
56.96554	16.7
57.03416	1.2
57.07084	0.7
58.06609	1.0
61.02910	0.7
67.05487	1.8
69.03408	3.2
69.07045	0.9
70.33784	4.0
72.25770	0.7
73.02878	1.3
81.03394	2.1
84.96017	3.1
85.02889	7.4
89.03900	5.1
91.05460	2.9
95.04913	0.9
97.02882	3.3
98.21378	0.8
98.97569	41.4
107.04932	0.9
110.97562	5.5
111.04445	1.1
112.07616	1.6
112.99105	1.4
113.01630	0.8
116.68309	0.9
116.98603	31.5
117.03367	3.8
119.00166	1.7
119.04939	3.2
120.33994	0.8
122.65804	0.8
123.04441	1.6
123.05515	1.0
124.99107	2.1
127.00674	0.7
127.03902	3.1
128.98598	7.5
130.08614	2.9
131.00137	1.6
134.99643	11.2
135.04384	8.3
136.04591	0.9
139.03908	1.0
140.00151	1.2
143.00127	6.8
144.13799	2.8
144.98048	0.8
145.02838	3.3
145.04991	1.2
146.99652	5.3
147.03259	3.6
147.04413	10.3
149.01219	0.8
152.98558	1.8
153.00623	1.3
155.06970	1.1
158.97472	1.3
158.99637	16.0
161.01192	8.0
162.99095	1.0
163.02727	3.4
163.03893	32.6
164.04201	3.0
165.04282	2.3
170.99625	4.6
171.03139	2.1
175.02797	1.0
177.00688	21.0
177.04202	1.2
179.00067	1.0
179.02115	1.0
185.01256	2.6
186.04395	2.2
187.02821	1.7
187.04416	1.1
188.03781	5.5
189.00661	5.8
189.04192	9.4
189.05867	1.1
189.06456	1.0
190.03313	1.1
190.14375	5.5
193.03914	1.2
195.01694	1.4
201.00784	1.6
201.04346	1.8
203.02255	3.5
204.05368	2.1
205.03777	1.1
207.05385	4.3
213.00830	1.7
219.01750	16.5
219.05190	1.3
220.04715	0.9
220.11867	1.4
231.01730	1.3
231.05347	1.8
234.98953	5.9
235.04971	0.8
235.63158	1.0
237.00661	0.9
237.02785	25.7
249.02786	2.9
253.00040	0.8
255.01627	1.0
255.03949	1.4
260.04364	1.0
267.03802	2.7
273.02921	1.8
291.03937	5.5
291.07526	16.4
305.03183	2.5
309.04993	4.4
309.08475	46.6
310.08890	2.2
321.08557	1.4
332.10162	2.5
349.08102	2.8
351.10306	100.0
352.10623	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00178	0.9
55.05507	1.0
56.96558	30.3
57.03432	1.0
58.47168	1.0
61.02910	1.9
61.78383	0.9
66.33392	1.0
69.03407	4.1
69.07040	1.2
69.58244	3.0
69.58662	6.5
70.06564	1.9
71.95236	1.4
72.93761	1.2
74.42770	0.9
74.97612	1.3
79.05482	1.0
81.03386	1.5
82.29523	0.9
83.04947	2.0
84.04497	1.2
84.08118	1.6
84.96005	4.9
85.02907	10.2
86.09726	1.2
89.03902	10.3
91.05475	9.5
97.02895	5.0
98.97573	100.0
107.04960	2.4
109.02895	1.0
110.97555	7.2
111.04398	2.5
112.99152	1.6
115.00670	2.0
115.03897	0.9
116.98611	58.1
117.03387	7.1
117.04034	1.4
117.19919	1.0
119.00151	1.7
119.01870	2.0
119.04942	12.4
123.05520	3.1
124.99094	3.8
126.96178	0.9
127.00650	1.4
127.03905	1.8
128.98586	12.2
130.08629	1.1
131.00150	3.6
133.01743	1.5
134.98714	1.8
134.99652	22.1
135.04388	14.3
136.04697	1.3
136.06148	1.8
139.03876	2.1
140.00246	1.4
140.98531	1.7
141.02275	1.4
143.00151	14.6
144.13792	4.3
144.98045	1.4
145.01698	2.1
145.02742	10.5
145.04933	1.2
146.99640	8.1
147.03284	4.5
147.04381	37.8
148.04684	3.8
148.06113	2.1
149.01180	2.8
152.98576	2.8
153.00696	2.2
158.99635	33.6
159.03210	1.7
159.04953	1.1
159.84438	0.9
161.01196	14.1
161.02599	1.5
162.71849	1.1
162.99135	2.3
163.03891	78.5
164.04237	5.1
165.04366	4.1
168.03485	1.2
169.01779	1.2
170.99657	6.4
171.03271	3.2
175.02774	4.3
177.00691	43.7
177.02267	2.1
185.01212	6.7
185.02820	1.5
186.04544	1.1
187.02719	2.2
188.03687	2.5
189.00673	8.3
189.02257	2.0
189.04288	14.4
189.06114	1.6
189.06619	1.4
189.09502	1.0
190.14352	4.6
193.03801	1.7
195.01735	3.0
197.01245	1.1
199.02786	1.3
200.02267	2.2
201.00688	4.9
201.02316	1.1
201.04318	2.4
201.06143	1.1
203.02249	6.0
203.03920	1.1
203.05743	1.0
205.00212	1.3
207.01636	4.1
207.05357	5.6
213.00761	3.2
217.03891	1.2
219.01741	22.0
219.05141	1.8
220.11942	5.6
221.03302	1.7
227.02301	1.5
227.63597	1.0
231.01654	5.6
231.05447	2.8
234.99005	1.3
237.00705	1.7
237.02792	31.9
238.03177	1.4
242.03482	1.2
245.03227	1.5
249.02792	6.3
249.06458	1.5
255.03883	2.3
261.02734	2.0
267.03778	7.0
269.98593	1.1
273.02811	2.4
279.03793	3.7
285.04950	2.8
289.05890	1.2
291.03851	10.1
291.07465	22.6
303.07346	1.1
307.06979	2.3
309.04907	10.4
309.08466	72.6
310.08743	2.2
325.07736	1.4
327.06003	2.0
332.10074	2.7
347.06326	1.9
349.07944	4.2
351.09705	56.0
352.10120	2.3
365.07376	1.4
367.09018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83787	1.6
56.96559	36.5
64.43655	1.4
70.19891	9.9
84.96045	2.8
98.97555	25.3
116.98607	16.9
124.99126	15.1
134.08566	1.7
134.99644	6.7
141.02211	2.5
143.00159	33.1
145.03416	2.8
152.98592	4.4
159.03297	3.3
161.01193	28.9
167.00204	1.8
169.01704	6.7
170.99641	27.7
185.01225	18.6
185.02817	3.1
186.99138	4.1
187.02747	6.4
187.04388	2.8
189.00717	35.7
194.99648	2.1
203.02252	13.0
203.03891	3.1
205.00172	4.5
207.01636	3.8
213.00685	15.3
219.01749	1.8
221.03201	2.2
221.05107	2.2
231.01752	25.9
245.05139	3.4
247.01349	2.7
249.02812	24.5
263.06290	2.5
267.03964	11.8
273.02719	5.7
285.02069	1.9
285.04874	8.7
291.00482	2.5
291.03799	61.9
309.04837	100.0
310.05334	2.2
327.06174	8.7
332.06586	3.1
333.08582	2.0
350.98886	2.6
351.07321	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	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
58.97132	1.2
59.57815	1.1
61.02919	3.2
64.60536	1.2
67.05500	2.3
69.03415	6.9
69.07053	5.3
71.06286	3.3
73.02908	1.3
79.05479	18.1
81.03401	1.7
81.07050	6.9
83.08591	1.3
85.02888	29.5
91.03952	2.2
91.05455	4.1
93.07033	35.8
95.04955	2.1
95.08598	3.7
97.02892	6.8
97.06522	18.4
99.04433	1.3
103.03899	1.3
107.08577	26.9
108.08874	1.5
109.02867	4.0
109.10142	4.1
111.99669	1.1
119.08540	1.3
120.08131	1.4
125.13244	2.3
127.03876	8.7
133.10112	1.6
135.11676	100.0
136.12013	3.3
137.13246	3.5
145.04959	11.4
147.20891	1.2
153.12744	13.4
163.06042	2.8
169.98592	1.2
249.00334	1.1
274.93747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05491	1.4
57.03436	0.7
57.07057	0.4
62.06083	0.5
66.66592	0.3
67.05489	1.1
67.98825	0.3
68.05052	0.3
69.03408	1.0
69.07059	1.6
70.06585	3.5
71.04971	0.7
76.03996	0.8
79.05491	4.0
81.07036	1.2
83.04966	0.5
83.08640	0.4
84.04484	2.2
84.08138	1.0
85.02901	2.9
86.09700	2.7
91.05470	4.3
93.06432	0.8
93.07034	16.4
94.07363	0.5
95.04951	1.3
95.08588	1.3
97.02884	0.7
97.06548	0.5
98.20702	1.4
99.04510	0.3
102.05518	0.4
105.07047	1.6
106.07851	0.3
107.04947	2.8
107.08582	25.1
108.08911	0.6
109.06493	1.4
109.10146	0.8
110.06059	0.5
111.04457	0.7
111.08056	0.6
116.01725	0.4
116.07068	0.5
118.06491	0.4
119.08583	1.6
120.08083	0.8
122.05983	0.4
125.06020	0.3
125.09635	0.6
127.03916	0.3
135.04414	3.3
135.11681	100.0
136.12012	3.2
137.09692	0.4
147.09081	0.4
151.03828	0.3
153.05441	0.7
153.09090	1.7
153.12746	3.5
162.02206	0.3
168.06580	0.4
170.08107	2.1
170.09378	0.4
171.10167	2.4
171.13834	0.7
180.08704	0.4
182.08167	2.2
183.14934	0.5
186.74933	0.3
189.03488	0.4
189.12477	0.4
194.94069	0.4
203.05258	0.5
216.07651	0.4
223.07677	0.4
229.04814	0.7
230.83569	0.4
231.11324	0.5
270.22495	0.4
291.13480	1.1
350.13364	0.6
351.10626	1.0
368.67969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
57.03427	1.3
59.04988	1.0
61.02901	2.5
61.86662	0.8
67.05509	1.4
69.03417	5.2
69.07047	3.6
71.02399	2.5
71.04971	1.1
73.02899	1.0
79.05486	16.6
81.03401	2.2
81.07043	4.9
82.38258	0.7
83.08583	1.1
85.02896	29.4
86.03228	1.0
86.09687	1.7
87.65516	0.8
91.03935	1.7
91.05460	3.8
93.07033	36.9
94.07343	1.0
95.04944	1.2
95.08594	10.2
97.02877	5.5
97.06478	1.8
99.04442	0.7
105.07021	1.4
107.08582	27.3
109.02857	2.8
109.06528	1.0
109.10103	1.2
119.08624	1.1
120.07996	1.2
125.13264	0.9
127.03892	5.2
133.10101	1.3
135.11679	100.0
136.12007	3.6
137.13239	2.9
144.37175	0.8
145.04933	8.1
153.09056	0.9
153.12717	7.0
157.13280	0.9
163.06001	2.9
163.19691	0.8
297.16980	1.1
310.31494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
59.04983	1.5
61.93360	0.7
63.89172	0.7
67.05493	0.8
69.03422	1.2
69.06456	0.8
69.07047	2.9
69.79550	1.8
69.79952	3.2
71.04981	12.9
73.06543	3.2
79.05482	2.9
81.03381	0.8
81.06572	0.8
81.07045	15.2
83.04936	0.7
83.08587	0.7
85.02886	2.2
90.51929	0.7
91.05449	1.3
93.07032	10.2
94.07337	0.8
95.08587	1.9
97.06507	1.8
106.71461	0.7
107.08580	10.6
109.10144	1.8
135.11678	16.7
143.63385	0.7
153.12724	100.0
154.13074	4.4
161.30643	0.9
171.13820	1.0
179.15080	0.8
191.08147	2.2
199.80418	0.8
259.13284	1.4
267.06451	1.0
282.13364	0.9
350.13721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17960	0.9
53.03928	1.1
53.46977	0.8
55.01864	1.4
55.05498	7.2
57.03421	4.2
57.07059	1.8
59.04992	3.0
61.02907	2.6
63.29632	0.9
67.05497	8.8
69.03421	5.5
69.07048	4.6
70.06574	2.3
71.04991	9.5
71.77321	1.6
73.02892	1.0
79.05476	5.2
81.03410	1.7
81.07043	23.1
82.07393	1.0
83.04974	2.7
83.08607	11.7
83.93267	0.8
84.04475	1.2
85.02893	27.8
85.06550	1.1
86.09700	2.8
87.16370	0.8
91.05456	5.1
93.07031	41.4
94.07372	1.5
95.04955	1.7
95.08591	39.3
97.02880	5.0
97.06515	20.8
99.04424	1.4
101.09635	4.2
105.07005	2.3
107.08580	59.3
108.08919	1.7
109.02851	1.7
109.10140	35.9
110.10506	1.8
111.08065	1.5
119.08560	1.1
121.02837	1.7
123.11694	15.4
125.09635	0.9
127.03912	5.6
127.11163	1.8
129.22066	0.9
135.11676	100.0
136.12019	3.2
141.12729	3.3
145.04936	5.0
152.11559	1.1
152.42853	0.8
153.12724	65.9
154.13052	1.4
156.07739	1.2
158.11725	1.5
163.06004	1.0
171.13780	58.2
172.14139	2.7
173.04411	1.9
197.12874	1.6
198.09772	1.4
229.11383	1.0
231.02914	1.7
273.04059	0.9
319.09607	1.7
351.08533	1.3
351.12625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21384	1.8
53.03925	2.4
55.01866	3.4
55.05492	6.7
57.03419	5.7
57.07062	2.7
60.04519	3.7
61.02891	4.5
61.56216	1.6
67.05486	7.4
69.03431	12.4
69.07047	10.6
70.06561	2.0
71.58849	2.7
73.02884	2.7
75.55993	2.4
79.05480	22.8
81.03398	7.0
81.07040	14.2
82.06548	2.7
83.04941	2.6
83.08594	5.7
84.04517	2.7
85.02892	68.0
91.05476	6.5
93.07026	45.4
95.04945	4.9
95.08573	10.6
97.02874	12.8
97.06555	2.7
99.04412	3.0
100.11249	7.1
105.07011	5.3
107.08580	30.1
109.02878	6.0
109.06524	2.1
109.10149	6.5
110.10440	2.3
111.04415	2.7
116.55410	2.0
118.12321	2.1
119.08552	3.7
121.10091	2.4
123.04407	4.1
127.03889	13.1
128.07112	2.4
131.08609	3.1
133.10152	4.0
135.11674	100.0
139.03900	7.3
139.08626	2.0
145.04945	16.2
147.11665	2.5
149.06068	2.1
153.12732	16.3
162.40025	2.2
163.05956	3.3
182.15341	4.9
191.08209	2.7
201.09070	2.2
204.66428	2.2
205.12137	2.4
210.14899	7.5
225.09048	3.3
256.19363	1.9
263.00177	2.6
263.10764	1.9
277.21783	3.0
295.06262	3.1
309.07602	2.4
319.09662	4.8
321.07318	2.1
323.08990	2.3
332.27841	2.5
333.11057	2.3
350.10907	3.4
350.23749	5.4
350.29025	2.5
351.12289	23.9
351.16129	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	350.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
57.03421	1.1
61.02904	2.4
68.19814	0.6
69.03078	0.7
69.03428	4.0
69.03729	0.8
70.12580	2.7
70.12994	1.7
73.02909	1.4
74.72161	0.6
79.05480	15.8
81.03400	2.8
83.04969	4.6
85.02897	14.1
91.03964	0.9
94.19106	0.6
95.04956	6.3
97.02892	4.8
97.61914	0.7
107.04941	100.0
108.05269	1.5
109.02857	0.8
125.05994	2.4
127.03919	2.9
135.04401	32.8
135.26971	0.7
145.04893	3.5
153.05466	8.1
163.05971	0.8
171.06511	35.4
180.08684	5.1
188.09154	11.5
222.53282	0.7
243.59738	0.7
315.09698	0.9
333.10785	2.9
350.09119	1.3
350.13150	1.5
351.11774	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	350.1341
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
51.27714	0.2
53.03939	0.5
55.01865	1.2
57.03427	2.6
59.04978	0.3
61.02639	0.3
61.02915	2.2
67.05492	0.2
69.03418	8.4
69.07053	0.3
69.92793	0.8
69.93201	0.4
71.01344	0.9
71.04978	2.3
73.02914	0.8
75.04468	0.3
79.05495	0.2
81.03422	1.6
81.07073	0.2
85.02872	0.2
87.04442	0.4
91.05431	0.8
93.07012	0.7
95.08578	0.2
95.96342	0.1
97.02873	0.4
97.06508	0.2
99.04440	2.2
99.50552	0.1
106.06559	0.2
107.08578	0.5
109.10144	0.3
116.04996	0.3
117.05531	0.7
118.06529	3.0
120.08065	0.5
131.06032	0.2
132.06819	0.5
132.08063	0.6
135.11684	0.9
139.20241	0.2
145.07585	13.8
146.08401	0.8
147.09145	21.9
148.09500	0.5
153.12718	0.6
156.07043	0.2
157.07588	0.6
159.09149	9.4
160.09938	1.4
161.10704	0.8
169.07613	0.2
170.08336	0.4
171.09164	0.5
171.13849	0.3
173.07019	1.3
173.08247	0.1
173.10722	1.1
174.11530	0.2
175.08640	1.2
182.08376	0.5
183.09123	0.4
184.09927	0.8
185.10692	3.2
186.11497	0.6
187.08606	1.3
187.12340	1.4
189.10228	1.1
191.08122	100.0
192.08470	2.0
197.10747	1.5
199.08670	1.0
199.12282	1.5
200.09401	0.3
201.10181	0.8
203.11745	0.3
211.08646	0.3
213.10193	2.1
215.08247	0.2
215.11758	1.4
216.07652	10.3
217.07877	0.3
219.11230	0.3
225.10164	1.1
227.08151	0.2
227.11697	0.2
231.11272	0.6
233.09116	0.4
233.12793	0.4
243.11234	0.7
245.09169	0.6
245.12851	0.4
259.10721	0.3
263.13873	7.6
271.10696	0.7
271.37000	0.2
285.61395	0.2
289.11780	3.6
307.12833	52.6
308.13116	1.7
350.13406	71.0
351.13705	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	349.2369
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02368	2.1
53.03931	13.7
55.01862	17.4
55.05504	31.4
56.96557	2.3
57.03429	18.3
57.07059	4.7
59.04996	2.0
62.25954	1.5
65.03931	4.9
67.05493	81.2
68.05789	1.6
69.03408	6.6
69.07057	66.7
70.74027	6.1
71.04975	7.3
72.36256	1.6
73.02908	2.5
74.20070	1.5
79.05481	78.4
80.05834	1.9
81.03407	27.3
81.07043	83.7
82.07372	2.6
83.04966	15.0
83.08604	15.7
85.02868	2.5
85.06538	5.9
91.05464	77.9
93.07030	69.3
95.01311	19.4
95.04955	22.1
95.08591	65.4
97.02897	3.0
97.06519	32.1
97.10147	7.4
99.08102	1.7
103.05457	2.7
105.04492	1.9
105.07013	97.5
106.07355	2.6
107.04939	37.7
107.08579	44.2
108.57875	2.0
109.06507	11.1
109.10129	19.5
110.59057	1.6
111.04417	2.5
111.08089	8.3
115.05438	4.6
117.07000	29.5
119.08565	58.0
119.09423	3.2
121.06507	8.0
121.10126	24.1
123.04414	4.6
123.08038	11.1
123.11695	5.6
125.09619	7.5
129.06998	5.7
131.08545	36.9
132.08946	2.1
133.06511	3.6
133.10110	67.6
134.10445	3.6
135.08037	12.0
135.11670	20.0
137.09601	5.5
139.07503	3.8
141.06920	4.6
143.08557	6.6
145.06470	5.3
145.10097	34.6
146.12216	1.6
147.08005	3.2
147.11655	28.3
149.05838	1.8
149.09595	18.9
149.13229	9.2
151.11157	3.8
155.08516	2.5
157.10078	9.7
159.08075	2.2
159.11670	27.6
161.09613	3.6
161.13245	10.9
163.11153	7.7
163.14838	3.7
165.09122	3.7
169.10085	6.7
171.11687	6.4
173.09590	4.0
173.13208	11.0
175.11137	2.4
175.14757	2.0
177.12733	9.9
179.10582	1.8
179.14285	26.1
179.63368	1.7
183.11647	4.9
185.13210	2.5
187.11055	8.0
187.14784	1.9
189.11211	1.8
191.07060	2.5
191.10658	3.5
195.13860	4.3
197.13216	4.1
201.12741	2.0
205.12175	3.4
207.10178	1.9
207.13824	1.9
209.15268	1.9
211.14822	2.0
213.12697	1.6
215.17950	2.2
219.09970	2.0
229.08755	2.0
229.19530	5.4
233.15436	1.6
239.17989	5.6
241.14357	4.1
247.20595	7.4
257.19003	11.5
267.08936	1.9
275.20023	100.0
276.20444	5.2
285.10092	1.8
293.21185	4.7
313.18033	2.6
331.15469	2.6
331.19101	3.8
331.22815	2.4
332.10303	1.5
349.17148	3.8
349.23694	96.3
350.24039	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03936	17.1
55.01865	19.2
55.05502	29.8
57.03429	23.5
57.07061	4.9
65.03937	4.3
67.05495	72.3
69.03413	5.9
69.07057	81.6
70.06554	2.4
71.04963	6.2
71.23518	2.1
71.23855	4.8
72.49613	2.0
77.03962	2.3
79.05482	60.2
81.03400	34.4
81.06557	5.0
81.07043	95.1
82.07368	3.2
83.04977	17.5
83.08612	11.6
83.15562	1.9
85.02905	2.1
85.06506	4.3
91.03917	2.2
91.05467	78.4
93.06441	3.7
93.07030	70.5
95.01331	27.2
95.04961	26.2
95.08594	65.5
97.06519	32.0
97.10139	3.6
99.08082	3.0
103.05460	5.1
105.07015	100.0
106.07310	3.6
107.04946	44.8
107.08572	33.2
109.06486	11.1
109.10143	16.0
111.08097	4.8
113.09674	3.1
115.05449	3.4
117.07008	24.8
119.08557	55.0
121.06499	9.9
121.10133	20.4
123.04432	6.7
123.08048	12.5
123.11663	2.9
125.09566	5.7
128.06281	2.3
129.07010	6.4
131.08543	35.2
133.06491	3.1
133.10110	70.6
135.08073	10.6
135.11688	18.8
137.05968	3.7
137.09569	4.4
138.22214	1.9
139.07471	3.1
141.06950	4.0
143.08543	7.7
145.06500	10.5
145.10097	32.0
147.08054	2.5
147.11667	32.3
149.09607	13.3
149.13200	12.7
151.07581	2.6
151.11137	4.6
155.08531	5.2
157.10135	7.0
159.08072	3.4
159.11665	25.6
161.09642	2.9
161.13269	7.8
163.11131	11.1
165.09177	3.1
169.10135	5.5
171.11742	6.6
173.09653	3.6
173.13243	8.1
175.11154	3.2
177.12732	9.7
179.14281	33.8
183.11687	4.4
185.13263	3.7
187.11168	9.8
191.07057	2.1
191.14369	2.3
195.13791	4.7
197.13223	4.0
201.12744	2.4
208.40341	2.5
219.13867	2.6
229.19501	3.3
239.17940	7.9
241.14316	4.4
247.20671	5.5
257.19019	11.2
267.09039	3.8
269.10431	2.6
275.20016	91.0
276.20209	10.5
285.10120	7.1
293.21143	2.7
313.18011	4.5
313.21338	2.4
331.19046	5.1
349.23737	91.6
350.24173	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01849	5.8
55.05265	1.2
55.05502	13.5
57.03426	13.1
57.07055	3.9
61.02908	0.9
67.05494	32.0
69.03406	4.2
69.07056	21.4
71.04969	5.8
79.05482	25.2
81.03407	1.0
81.07043	34.8
82.07390	1.2
83.04974	8.8
83.08605	6.2
84.12106	0.9
85.02873	1.1
85.06525	3.8
91.05470	24.8
92.05794	1.5
93.07031	33.0
95.04958	10.5
95.08589	21.7
97.02837	1.8
97.06506	6.4
97.10168	2.2
99.04454	1.5
99.08048	1.0
105.03368	1.5
105.06321	2.2
105.07009	29.1
106.07330	1.3
107.04942	9.2
107.08581	25.3
109.06511	12.1
109.10142	12.0
111.08073	3.0
113.02402	0.9
117.07008	10.5
119.08558	18.2
121.06492	13.5
121.10120	17.6
123.04432	1.5
123.08069	7.1
123.11675	5.1
125.02348	2.6
125.09626	2.2
127.07539	1.8
129.06955	3.4
131.08536	16.3
133.06497	5.1
133.10109	20.6
134.10419	1.6
135.08066	7.9
135.11673	9.9
137.05945	1.1
137.09628	3.9
139.03906	1.9
141.06995	1.7
143.08534	3.9
145.06467	2.1
145.10103	16.4
147.08032	5.0
147.11659	12.4
149.09590	9.2
149.13235	2.5
151.07529	1.5
151.11127	5.0
155.08557	2.4
157.04968	1.2
157.10121	5.3
159.07985	4.3
159.11679	9.3
161.09598	3.7
161.13254	4.1
163.11171	7.8
163.14828	1.1
165.09137	1.5
165.12735	1.6
167.07022	1.1
169.04977	1.2
169.10071	2.2
171.11729	3.8
173.09659	2.6
173.13246	6.0
175.11192	2.6
175.14804	1.3
177.05418	1.2
177.12704	3.3
178.62941	0.9
181.09941	0.9
182.10915	0.8
183.11681	2.4
184.57814	0.9
185.13205	2.2
187.11160	2.5
187.14787	1.4
189.09096	1.2
191.06952	1.4
191.10663	1.0
191.14264	3.2
193.12155	1.4
195.06544	1.9
197.13274	2.4
199.14801	1.3
201.12781	4.5
205.12209	1.4
205.19547	1.4
207.13786	2.6
209.08078	2.4
213.07668	1.0
215.14337	2.3
215.17928	1.7
219.13785	3.2
229.12242	1.7
229.19508	3.0
231.10410	1.0
233.15245	1.7
233.18991	1.8
239.17854	4.2
247.09613	1.2
247.13292	8.1
247.20607	3.0
257.18954	14.7
261.11279	1.5
265.10718	1.3
269.10587	1.5
275.20020	100.0
276.20404	6.6
285.10004	1.8
285.18500	1.1
293.21027	10.1
293.23633	1.0
299.16406	3.4
302.06430	1.0
313.14691	1.7
313.18069	2.7
313.21530	1.2
331.15503	2.4
331.19128	2.8
331.22870	1.5
349.16406	2.9
349.23752	54.2
350.24249	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	349.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	0.2
53.03939	0.3
55.01863	0.6
55.05499	1.7
57.03426	2.4
57.07060	0.4
59.04979	0.4
62.64940	0.2
65.03916	0.2
67.05492	2.1
69.03412	0.4
69.07059	12.0
70.07397	0.3
71.04961	0.2
71.81577	0.3
72.30953	0.1
79.05479	1.8
81.07044	2.0
83.01327	4.4
83.01821	0.3
83.08612	0.5
87.08948	0.2
91.05464	2.1
93.07031	3.4
93.07584	0.3
94.89194	0.2
95.04949	0.7
95.08598	1.2
97.06507	0.6
99.04401	0.2
99.08054	0.2
103.05457	0.3
105.03370	0.2
105.07024	1.1
107.04923	1.8
107.08573	4.8
109.06487	0.7
109.10139	3.2
111.11696	0.8
115.05412	0.6
117.06996	1.5
119.08576	1.0
121.06496	2.3
121.10142	0.5
123.08038	0.6
123.11697	2.6
125.05983	0.3
127.84138	0.2
128.06236	0.2
129.07001	0.2
131.08536	0.4
133.06441	0.2
133.10118	0.4
135.04424	0.9
135.08034	5.5
135.11676	4.8
136.08397	0.2
137.05946	0.6
142.07750	0.3
143.08559	0.2
145.06470	1.2
145.10077	0.3
147.08015	0.8
148.05171	0.4
149.05957	4.1
149.09578	0.2
151.07535	0.5
153.05452	2.9
153.12700	0.3
155.08487	0.4
158.07294	0.4
159.08017	0.6
161.06017	0.3
162.06750	0.2
163.07527	9.4
165.05461	0.5
173.05954	0.8
173.09627	0.9
175.07530	3.1
177.05437	0.4
177.09120	0.4
177.12758	0.3
178.06177	0.3
179.07001	0.5
179.14249	0.2
181.08643	0.3
183.08037	0.4
185.09706	0.2
186.06715	0.3
187.07507	0.4
189.09058	0.5
190.06036	0.2
191.07007	62.5
192.07347	2.0
193.08600	1.5
197.08064	2.3
199.11128	0.2
201.09120	1.2
202.06201	0.3
203.06987	1.0
203.10611	0.4
205.08591	1.3
207.10059	0.4
209.08061	100.0
210.08397	3.1
212.08290	0.2
213.09076	0.3
214.06226	0.4
215.06995	1.8
217.08403	0.2
217.12109	0.2
219.06386	0.2
219.10175	0.8
221.08054	4.2
223.09641	1.6
228.07774	0.2
229.08559	7.6
230.09023	0.4
231.06441	0.2
231.10181	0.3
233.08057	1.4
233.11600	0.3
235.09508	0.5
242.09367	0.3
243.10109	0.4
245.11700	1.5
247.09631	8.8
248.10001	0.4
249.11192	0.9
251.12706	0.3
257.11676	0.6
259.13315	0.5
261.11133	0.6
263.12747	6.6
264.13080	0.3
265.14371	0.2
271.13342	0.2
275.12692	1.9
275.16260	0.7
289.14316	0.4
313.17889	0.7
331.18994	17.2
332.19446	1.0
349.13629	0.2
349.20163	4.4
349.27063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2005
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
55.01845	0.4
55.05487	0.3
57.03426	0.4
57.07051	0.2
67.05473	0.5
67.79713	0.1
69.07055	0.6
69.72070	1.1
72.71947	0.1
79.05482	1.1
81.03407	0.3
81.07047	1.4
83.01321	3.0
91.05454	1.2
93.07038	2.3
95.04945	0.5
95.08573	0.6
98.20652	0.2
103.05450	0.1
105.07037	0.6
107.04926	0.9
107.08579	3.1
109.06477	0.3
109.10126	0.5
109.79879	0.1
115.05426	0.3
117.06969	0.9
119.08557	0.2
121.06486	1.8
123.08015	0.2
123.11691	5.4
124.11994	0.2
135.04410	0.6
135.08031	4.5
135.11673	3.9
137.05934	0.4
145.06474	0.7
145.46597	0.1
147.07990	0.2
148.05156	0.4
149.05965	3.3
150.06259	0.2
153.05447	2.7
153.12663	0.2
159.08022	0.1
163.07516	7.8
164.07855	0.2
173.05992	0.6
179.06987	0.2
191.07002	56.3
192.07367	1.7
197.08041	1.6
205.08607	0.4
209.08058	100.0
210.08403	3.0
215.06960	0.2
221.08144	0.2
223.09660	0.4
229.08536	0.4
233.08076	0.2
247.09572	0.6
257.11545	0.2
275.12842	0.3
275.16330	0.4
293.17426	0.2
313.17984	0.1
331.18985	12.5
332.19403	0.6
349.20047	7.8
350.20331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2004
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
54.08476	3.1
55.01852	6.0
55.05495	11.6
57.03429	20.6
57.07079	15.1
67.05497	24.2
67.42936	3.1
69.03416	4.8
69.07062	64.6
71.04971	7.5
71.08615	6.5
71.81768	6.1
77.59276	3.4
79.05483	13.0
81.07041	36.3
83.01319	4.6
83.04971	3.8
83.08626	3.8
85.06512	5.6
85.52573	3.0
89.03164	3.4
91.05453	16.0
93.07033	27.3
95.04948	8.1
95.08601	18.0
97.06513	34.3
97.10154	4.0
99.04446	16.3
105.03406	8.6
105.07008	29.1
107.04947	8.3
107.08575	31.3
109.02880	5.4
109.06517	9.3
109.10158	27.7
111.08028	3.7
111.11691	3.3
113.05992	6.3
117.07009	8.0
119.04933	8.8
119.08572	13.7
121.06503	15.2
121.10130	29.7
123.04436	7.4
123.08047	8.4
123.11684	26.0
127.03903	5.5
127.11112	3.1
131.08556	8.2
133.06491	5.7
133.10098	13.5
135.08015	7.6
135.11676	22.2
137.05957	14.2
137.09555	3.7
140.11961	2.8
145.10068	18.4
147.04414	7.8
147.08022	3.6
147.11646	12.1
149.05957	7.5
149.09636	3.2
149.13222	5.3
151.03911	7.0
153.05453	6.2
155.06940	4.9
157.10121	4.8
159.08014	3.4
159.11572	6.1
161.05956	8.4
161.09538	4.6
163.07585	7.6
163.11166	9.7
165.05461	38.7
165.06839	4.6
165.09128	4.1
169.04904	17.3
173.09612	9.5
173.13248	8.7
175.07475	4.2
175.11093	8.0
177.12637	4.1
179.06998	11.8
183.06487	15.6
189.05455	14.5
189.09064	6.0
191.07001	61.2
191.10587	5.7
191.14392	4.0
197.08064	6.6
201.12697	6.4
203.10602	5.9
205.08444	4.3
207.06491	56.7
207.08298	5.3
209.08055	100.0
219.10220	4.4
219.13727	7.4
221.08130	5.4
225.07532	71.0
231.09969	4.2
235.09679	4.1
245.11691	5.7
249.11166	22.3
257.11758	4.2
263.12772	8.4
265.14349	7.8
275.12726	11.0
275.20013	7.5
281.13715	8.2
293.13831	4.6
305.17572	3.2
313.17920	14.6
331.15250	6.4
331.19019	69.0
349.20239	44.8
349.23880	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2004
Annotation	Japodagrin
Peak:m/z	Relative Intensity
53.51534	1.4
55.01850	2.5
55.05497	5.5
57.03420	4.2
57.07037	1.4
59.04994	1.9
67.05495	13.0
69.03415	4.7
69.07064	13.8
69.50075	16.1
71.04980	16.4
78.19337	1.6
79.05488	12.0
81.07042	20.1
83.04999	3.3
83.08604	5.9
84.04477	1.6
85.02897	1.9
91.05463	18.4
93.07024	11.9
95.04972	7.0
95.08601	10.8
97.02860	3.3
97.06516	12.5
99.08089	3.1
100.11222	4.7
103.05440	1.8
105.03378	4.0
105.07014	54.8
106.03764	1.7
107.04951	3.0
107.08571	12.0
109.06520	10.8
109.10130	4.6
111.04380	2.2
111.08073	3.5
113.02347	1.5
113.05981	2.5
115.05461	2.0
117.06990	5.0
119.08563	18.0
121.06489	2.7
121.10117	9.7
123.04419	10.2
123.08039	3.6
125.05956	4.0
127.07518	2.9
129.07024	2.2
131.08560	10.1
133.06462	1.9
133.10104	10.5
134.92787	1.6
135.07980	3.0
135.11687	2.8
137.05923	11.2
139.03844	2.0
139.07474	3.4
141.05441	9.6
141.06444	1.4
141.06802	1.3
141.61664	1.3
143.08528	6.1
145.06424	1.8
145.10098	18.7
147.11658	53.1
148.12151	1.9
149.05931	3.4
149.09622	5.3
149.13228	3.7
151.07549	4.6
155.07098	3.0
155.08549	6.0
157.08769	2.1
157.10114	9.7
159.11674	9.0
161.09624	2.6
161.13252	2.6
163.11182	3.9
165.05473	20.8
165.06851	2.5
165.12752	3.0
167.07050	19.8
167.08389	3.3
168.09161	1.5
169.08597	6.3
169.10106	4.1
171.07986	2.3
171.11664	3.7
173.09564	15.0
173.13280	5.0
175.11188	3.6
177.12506	1.7
181.10112	3.6
182.10941	2.3
182.15366	1.9
183.06514	55.7
183.11630	12.5
184.06949	2.0
185.08073	21.9
185.09566	1.7
185.13261	2.7
189.09048	2.3
193.08559	2.5
193.10248	2.3
193.12241	6.1
195.11687	3.7
197.13226	8.1
199.11179	1.7
201.07545	5.3
201.09189	2.8
201.12723	5.2
203.10570	2.5
207.11717	3.4
208.62617	1.6
209.13240	2.8
211.11295	2.6
211.13167	3.2
213.12526	2.0
215.10645	1.9
215.14371	1.8
223.11157	2.0
223.14877	2.2
225.12733	9.3
225.16336	6.6
235.11246	2.2
237.12784	2.4
239.17818	3.0
243.13774	39.1
243.17496	1.8
249.16306	1.8
253.12244	2.3
253.15912	10.0
257.18921	7.8
259.13416	1.8
261.14987	8.2
267.17413	12.4
271.13272	1.7
271.16751	3.9
275.20038	9.1
277.15787	4.2
285.18280	2.2
293.09128	2.9
295.16870	23.9
313.17911	51.3
314.18231	1.8
331.15668	4.4
331.18982	100.0
332.19244	5.2
341.26959	1.4
349.20349	13.5
349.23694	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	349.2005
Annotation	Longikaurin A
Peak:m/z	Relative Intensity
55.01867	1.2
55.05489	1.4
57.07053	1.6
67.05498	3.3
69.03402	1.2
69.07052	4.2
71.04968	0.7
71.08575	0.6
71.80943	0.8
75.23514	0.6
79.05480	5.0
81.07059	5.6
83.01324	2.7
91.05451	3.5
93.07025	5.6
95.04926	1.3
95.08579	3.4
95.88480	0.6
97.06487	0.8
97.10189	0.6
97.61607	0.6
105.03330	0.8
105.07011	4.0
107.04913	1.0
107.08562	7.0
109.06505	1.7
109.10097	1.1
117.06983	1.6
119.08534	2.6
121.06484	1.7
121.10126	2.1
123.11684	5.1
131.08568	1.7
133.10114	1.4
135.04419	0.8
135.08044	5.8
135.11639	6.0
145.06514	0.9
145.10124	2.1
147.11671	1.5
149.05948	4.2
149.09590	1.8
149.13286	0.7
153.05447	1.4
157.09962	0.8
159.08023	0.6
159.11609	1.0
161.13223	0.6
163.07512	7.4
163.11172	1.0
165.05461	1.7
169.10051	0.9
177.12645	0.7
179.14398	1.0
181.08580	0.7
191.06998	56.0
192.07402	1.8
197.08058	2.3
205.08496	0.8
209.08052	100.0
210.08397	3.4
223.14665	0.9
237.12727	1.1
247.09650	0.8
264.67166	0.7
265.14218	0.8
275.19919	1.8
287.20071	1.0
289.14267	0.7
331.15466	1.5
331.18991	12.5
349.16217	1.4
349.19940	4.7
349.24628	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2003
Annotation	Effusanin A
Peak:m/z	Relative Intensity
52.13209	0.5
53.03945	0.9
53.35012	0.6
55.01857	1.1
55.05511	3.4
57.03220	0.5
57.03428	5.6
57.07050	2.3
67.05494	4.7
69.03403	0.9
69.06709	1.2
69.07056	18.6
71.78953	0.9
79.05485	4.1
81.03376	0.6
81.07037	5.3
83.01328	7.8
83.08610	1.4
85.02850	0.8
85.06528	1.0
91.05451	4.7
93.07027	13.0
95.04968	1.7
95.08578	4.0
97.02850	1.5
97.06527	0.9
97.10137	0.6
105.03341	1.0
105.07008	3.3
107.04902	2.3
107.08575	9.9
109.02858	0.7
109.06496	1.8
109.10159	5.2
111.08028	1.2
111.11678	1.0
117.06982	3.4
119.08555	2.9
121.06476	6.3
121.10130	1.8
123.08047	0.9
123.11689	5.3
131.08522	1.9
133.10062	1.5
135.04381	2.0
135.08017	7.6
135.11662	8.1
137.05927	1.3
143.08482	1.0
143.11328	0.6
145.06470	2.0
145.10085	1.7
147.08015	1.2
148.05211	0.7
149.05954	7.3
149.09563	1.4
151.07510	1.3
153.05429	4.7
155.08434	0.9
157.10106	1.3
159.08028	2.1
159.11667	1.1
163.07515	14.4
165.05437	0.8
167.07056	1.4
173.06032	1.0
173.09558	2.5
175.07504	2.8
177.05444	1.2
177.09109	3.0
178.06273	0.9
179.06949	1.7
179.14296	0.7
183.11375	0.6
187.07500	1.6
189.09119	1.0
191.06996	100.0
192.07286	3.9
193.08505	0.8
195.06494	1.1
197.08057	5.2
199.07420	0.8
201.09085	3.3
203.06953	2.9
205.08563	15.3
209.08055	92.5
210.08479	3.2
215.06976	1.5
215.10683	0.9
219.10123	3.9
221.08044	7.5
223.09601	22.3
229.08562	18.4
229.12099	1.3
230.09016	1.2
231.10080	1.3
233.07977	3.9
237.12759	1.1
243.10216	1.2
247.07025	1.4
247.09618	29.1
248.10042	1.1
249.11198	2.0
257.11688	5.0
261.11261	2.2
263.12646	6.9
265.14255	1.6
265.22714	1.1
271.09634	0.6
271.13211	1.3
275.12723	15.5
275.15918	1.0
275.19708	1.5
289.14383	2.2
313.14590	0.8
313.17917	3.2
331.18988	85.4
332.19272	5.0
349.20041	65.5
350.20364	4.4
359.49884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2005
Annotation	(R)-5-(1,5-dimethyl-4-hexenyl)-4-hydroxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid
Peak:m/z	Relative Intensity
55.01863	1.3
55.05506	1.8
57.07070	35.0
58.07394	1.0
60.14845	0.8
67.05486	2.5
69.03438	0.9
69.07058	9.0
71.24049	2.0
79.05477	2.9
81.07055	5.7
81.91936	0.8
83.04966	2.0
85.06548	4.9
91.05480	2.7
93.07030	3.6
95.04964	2.0
95.08594	2.1
97.06534	1.8
105.07022	3.7
107.04967	1.9
107.08575	3.0
109.06499	5.9
111.04428	2.2
111.08091	4.0
113.05982	5.5
117.07018	1.4
119.08556	1.8
121.06498	14.3
121.10126	2.8
123.04418	0.9
123.08031	3.9
125.05993	2.2
127.07544	3.0
129.07047	0.8
131.08591	1.5
133.06496	1.4
133.10092	2.1
135.04391	1.0
135.08034	3.1
135.11670	1.1
137.05965	7.4
139.07524	0.9
145.06555	1.1
145.10104	2.6
149.05980	17.7
149.09608	1.0
154.08034	0.9
155.06984	2.5
155.08354	0.9
157.10095	1.2
159.08012	1.4
159.11693	2.2
161.06009	1.6
161.09586	0.9
161.13136	0.9
163.07506	16.0
163.08748	1.4
167.07051	2.2
169.10091	0.9
173.05919	1.0
173.09663	1.4
175.11217	1.1
177.05478	0.8
177.09172	2.5
177.12775	1.2
179.07080	2.8
179.14301	0.9
187.11220	2.8
189.09108	1.6
191.07005	60.0
192.07321	1.8
193.08525	0.8
195.06502	4.2
197.08086	2.5
201.05463	1.7
201.09222	1.1
201.12721	1.1
203.10744	1.0
205.08597	1.0
205.12241	2.7
209.08072	57.4
210.08545	1.8
215.10713	4.9
217.08557	7.1
219.06609	1.0
223.13257	1.2
229.12227	4.6
233.11710	10.9
245.11691	1.8
247.13303	3.5
251.12883	5.0
257.11746	3.8
263.12747	3.3
265.14322	100.0
266.14612	5.1
275.12747	22.5
275.19571	0.8
276.13037	1.0
281.13800	4.1
293.13773	26.1
294.13977	1.2
331.19049	6.0
349.20108	56.0
350.20435	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
61.02971	0.5
67.05481	0.7
69.03419	0.5
69.51028	4.2
70.00469	0.4
70.06565	0.8
71.04976	1.0
76.02222	0.5
79.05460	1.1
79.70641	0.4
81.03404	0.7
81.07038	4.6
83.04955	1.3
84.04500	2.2
85.02885	2.3
87.02674	1.4
91.05463	0.9
93.07022	1.4
95.08575	1.3
97.02906	0.5
97.06505	1.0
99.08092	1.2
105.00070	0.7
105.07009	0.9
107.04917	1.2
107.08566	1.7
109.10143	1.6
119.04870	0.5
122.02702	1.8
123.08067	1.0
123.11671	0.6
127.03880	1.2
133.10081	1.0
135.04408	0.9
135.08008	0.5
147.04375	0.9
151.11153	1.6
153.12694	0.7
159.04781	0.5
169.08455	0.5
169.12207	2.5
170.84720	0.5
171.06454	0.5
175.07562	0.7
185.04218	1.7
187.03659	2.6
187.13295	1.2
193.08656	0.5
194.77513	0.5
202.08871	3.6
203.07440	0.7
205.73329	0.5
220.10031	1.1
262.66571	0.5
265.05515	0.5
286.06369	0.7
313.11258	0.5
331.09042	1.0
331.12756	0.9
349.08887	100.0
349.12534	3.6
350.09186	6.1
350.13046	0.7
367.08499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25264	0.7
55.01873	1.7
56.96555	1.0
57.03421	1.4
58.47522	0.8
61.02909	1.9
65.03934	11.6
69.03420	4.3
69.07049	1.6
71.51402	1.5
73.02911	0.8
78.00600	0.8
81.03411	4.2
85.02896	25.0
86.09692	0.8
87.04495	1.2
91.03948	1.6
91.05477	0.8
93.03400	10.7
94.32728	0.7
96.41955	0.7
97.02882	9.6
99.04461	1.9
109.02851	1.6
110.03647	3.2
111.04430	40.1
112.04765	1.1
116.98667	0.8
119.04916	1.0
123.04430	1.2
125.05984	29.9
126.32332	0.8
127.03917	4.4
128.40651	0.8
135.04347	0.8
136.06163	6.5
136.51678	0.9
145.04945	7.6
147.04393	2.5
151.03886	16.7
151.07440	1.0
158.91653	0.9
163.03928	2.3
168.06555	2.6
169.04945	100.0
170.05391	2.0
180.08665	3.5
185.58990	0.9
186.11194	1.9
229.54062	0.8
237.02806	0.9
244.29311	0.9
288.65851	0.8
323.44904	0.8
349.08997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.85130	0.6
55.01850	1.3
56.96557	13.4
57.03432	3.3
60.04518	0.6
61.02912	3.3
64.66328	0.5
65.03932	1.1
67.05487	1.0
69.03422	9.3
69.77447	2.0
69.77869	2.4
70.06574	1.7
71.04967	1.6
72.08141	1.5
73.02901	2.6
76.90521	0.5
79.05445	0.6
81.03394	3.4
83.04945	1.3
84.04486	1.9
84.08115	1.3
84.96019	1.8
85.02892	34.3
86.03205	1.2
86.09700	4.5
87.04469	1.3
89.03906	4.6
90.04244	0.8
91.03940	0.7
91.05488	3.3
93.03378	0.6
93.92928	0.6
95.04955	3.7
97.02878	12.0
98.21423	1.2
98.97570	12.1
98.98434	1.5
99.04483	1.1
101.02307	0.6
102.97025	0.8
106.05025	0.8
107.04926	2.4
109.02856	2.5
110.97564	2.4
111.04420	0.9
112.99125	0.8
115.03922	1.0
116.98595	9.5
117.03374	3.9
117.04067	0.5
118.03705	0.7
119.01846	1.2
119.04926	3.4
120.05231	0.7
123.04413	64.5
124.04757	1.6
124.99102	0.8
125.05947	0.7
127.03914	6.8
128.98552	3.9
131.00160	1.6
133.01778	0.8
134.99658	5.8
135.04399	9.0
136.06166	100.0
137.04633	0.8
137.05713	0.7
137.06577	1.3
138.25343	0.7
139.03937	1.3
143.00159	3.9
143.01860	1.1
144.01994	1.8
144.04063	0.7
144.06589	0.5
144.98050	1.3
145.01711	1.4
145.02837	4.8
145.04941	5.2
146.03149	1.1
146.99626	4.1
147.03226	0.6
147.04376	12.9
148.04723	3.7
148.05841	1.0
149.01187	1.1
150.05505	1.2
151.03882	20.0
151.05066	1.3
152.04237	1.1
153.00719	0.9
155.04626	0.8
158.99651	4.8
159.03154	1.0
161.01207	5.7
161.02922	2.4
162.03114	2.3
162.99126	2.0
163.02774	1.9
163.03883	41.4
164.04195	6.8
164.99408	2.6
165.00650	0.8
165.05511	0.9
167.06998	1.4
168.06570	1.9
169.04938	43.5
170.05284	1.4
170.06616	0.6
170.99605	1.5
172.95265	0.7
173.02837	0.8
174.04387	0.8
177.00681	6.1
179.02203	1.2
180.08679	3.4
180.31885	0.5
181.00208	1.2
185.01164	1.3
186.05035	1.1
186.07567	2.4
186.09177	1.0
186.11191	0.8
186.99042	1.2
187.02762	2.0
187.04483	1.6
189.00624	2.6
191.03854	0.8
192.05499	0.7
193.00204	1.3
193.01837	0.6
197.01166	1.2
201.00667	2.0
203.02315	1.6
203.04070	1.5
204.03999	0.6
204.05612	0.7
205.00201	2.4
205.03833	1.3
210.99258	0.7
211.02760	1.5
213.00706	1.2
215.13794	1.0
219.01747	7.3
221.05107	0.6
223.01207	4.2
229.00171	1.3
229.03787	1.4
231.01772	1.6
234.98956	0.8
235.03008	0.8
237.00650	1.0
237.02744	10.7
238.03159	0.8
247.01132	0.8
247.05019	0.6
249.02826	0.9
255.01674	2.1
255.04012	0.9
261.02747	1.1
263.04285	0.8
266.02902	0.9
267.03922	1.0
267.07101	0.7
273.02917	2.9
279.03925	1.5
285.05090	0.7
288.10007	1.1
289.05792	0.8
303.07437	0.7
307.07153	2.0
309.08371	0.9
317.05237	0.7
319.12415	0.9
321.08762	1.0
340.04202	0.9
348.06866	10.4
348.13217	2.9
349.07938	3.6
349.14578	1.4
357.05273	1.4
359.06152	1.1
367.09290	0.9
373.04398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	27.0
57.07064	23.7
59.04983	9.6
65.03923	3.3
67.05493	32.4
69.03424	4.4
69.07056	68.7
69.75906	23.9
71.04974	7.3
71.08608	8.8
76.50093	3.0
79.05483	15.5
80.59887	3.2
81.07047	100.0
83.08600	34.7
84.04523	3.1
85.02939	3.7
85.06528	9.5
85.10201	5.2
91.05475	7.6
93.03435	3.1
93.07023	33.4
95.04954	10.5
95.08591	82.0
96.08864	3.5
97.06534	5.7
97.10138	19.3
98.20790	4.6
99.08076	10.2
105.07003	10.0
105.45359	3.2
107.04930	4.4
107.08572	30.0
109.06517	5.1
109.10143	53.6
111.04449	13.1
111.08033	3.9
111.11713	20.5
119.08611	8.1
121.10133	24.9
122.03648	3.6
123.04427	19.3
123.11684	40.2
124.05209	8.6
125.13273	10.8
127.11172	5.3
131.08543	5.3
133.10118	5.3
135.11687	12.8
137.05981	9.4
137.13246	19.7
139.03876	35.4
143.08566	3.7
145.10144	4.3
149.13240	42.3
151.03900	4.4
151.14825	9.3
152.04668	22.7
153.05460	7.4
153.12704	5.4
153.65416	3.1
161.09518	3.4
163.14821	9.1
165.16417	7.3
167.03435	5.8
167.14360	8.2
168.04181	3.8
170.40512	3.2
173.09605	4.9
179.17834	3.8
191.17990	5.3
193.19438	3.6
205.19650	6.5
207.10190	7.1
208.10927	16.1
219.21078	3.8
225.07465	4.8
249.25754	3.9
257.04315	3.7
259.04858	4.2
260.03000	3.4
260.41959	3.6
268.06168	4.3
275.27277	16.4
281.28278	4.9
283.08719	4.3
286.04092	7.4
287.04462	32.0
289.03647	3.8
291.08582	64.2
292.08932	4.6
293.28302	26.8
294.28436	3.5
311.08398	8.5
311.29437	4.4
327.08633	4.5
329.09158	69.3
329.17542	5.3
347.10266	44.2
347.14746	19.3
347.18521	8.0
348.18866	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	348.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71438	1.0
53.79414	0.7
55.01867	1.7
56.47653	0.8
56.96550	2.5
57.03416	2.3
60.04496	0.8
61.02916	2.9
63.84652	0.8
65.03928	8.4
67.05483	1.5
69.03426	8.0
69.07058	33.4
70.06573	4.2
71.03485	1.7
71.71279	0.8
73.02893	2.3
81.03418	5.2
83.04959	1.0
85.02892	26.4
86.09667	1.7
87.04460	0.8
88.07599	1.7
88.14215	0.9
89.03902	1.1
91.05457	0.9
93.03375	5.2
93.07002	1.2
95.04914	2.8
97.02876	11.3
97.06508	4.2
99.04429	2.1
103.03915	1.4
109.02865	3.1
110.03634	1.8
111.04429	22.1
112.07581	3.9
119.04961	1.2
122.05953	0.8
123.04407	2.2
125.05971	15.4
127.03933	5.2
135.04436	1.2
136.06161	8.6
140.07043	39.7
145.04958	6.7
147.04367	5.4
148.04726	1.0
151.03897	12.2
154.08604	1.1
161.01057	1.4
163.03859	4.6
168.06546	100.0
169.04947	58.7
172.36444	0.8
180.08669	1.6
182.08107	10.0
186.07602	21.7
186.11234	3.3
201.12296	1.1
206.08081	1.6
210.07584	14.2
228.08479	1.8
234.07574	3.4
237.02863	1.1
252.08543	0.9
264.08539	1.3
266.55685	0.9
276.08572	1.4
291.66220	0.9
312.10788	1.4
315.10248	1.0
345.98236	0.8
348.06876	1.2
348.13422	3.1
349.08884	1.4
349.14279	1.7
361.48914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01845	6.5
55.05497	31.2
57.07061	18.6
59.04994	6.1
67.05503	33.8
69.03400	5.3
69.07062	80.6
70.54958	12.3
71.04989	9.3
71.08621	11.2
77.33889	2.7
79.05473	15.3
81.03420	3.2
81.07047	100.0
83.04925	2.9
83.08614	34.8
84.04515	6.4
84.42171	2.9
85.02905	6.8
85.06522	10.0
85.10176	3.9
91.05476	9.7
93.07040	32.4
94.69658	3.0
95.04951	17.8
95.08598	95.0
96.08934	3.0
97.10157	25.0
99.08091	6.9
99.96275	3.2
105.07023	10.5
107.08581	33.0
109.02873	3.1
109.06499	6.7
109.10151	66.8
111.04420	10.7
111.08086	8.4
111.11703	21.9
113.06020	6.1
117.06979	5.6
119.08563	10.5
121.10146	31.7
122.03770	2.7
123.04401	25.4
123.11695	49.1
124.05190	9.0
125.06015	4.1
125.13264	8.7
127.03921	3.2
127.11204	6.2
128.96475	2.8
129.06995	5.3
131.08553	5.3
133.10112	6.5
135.11699	15.6
137.05952	9.3
137.13228	21.9
138.98923	3.0
139.03868	45.5
139.07507	3.0
140.04497	4.8
143.08650	4.2
145.10057	4.5
147.11700	4.8
149.13261	35.6
151.03906	4.0
151.07495	3.9
151.14825	11.5
151.87987	3.0
152.04646	28.7
153.05391	4.9
155.03322	5.3
157.10092	3.6
159.11647	3.6
163.14815	12.5
165.16403	7.6
167.03397	8.6
167.14320	13.3
168.04181	4.8
175.07664	3.2
175.11172	6.9
177.16393	3.3
179.17960	8.1
191.17911	4.4
193.05000	4.0
193.19560	6.6
205.19545	4.2
207.10190	9.1
207.21214	4.5
208.10905	23.5
219.21069	6.2
223.09583	4.1
225.07520	3.2
230.05127	3.5
237.22081	3.4
241.12047	2.8
249.25854	3.3
257.04364	6.3
259.05103	4.2
271.05933	9.6
275.04572	4.3
275.27307	14.2
281.28195	3.4
283.08603	5.5
285.03970	6.2
286.04129	12.5
287.04468	41.6
289.17917	3.4
291.08585	83.6
292.08948	6.1
293.28308	24.2
311.08578	7.7
311.29550	5.3
329.09192	77.3
329.21036	6.5
330.09613	4.3
347.10248	53.7
347.14725	13.1
347.18686	11.2
347.22345	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2211
Annotation	(-)-Calycanthine
Peak:m/z	Relative Intensity
53.03924	0.3
53.45118	0.3
53.86595	0.2
55.01854	0.5
55.05501	0.4
57.03416	0.4
62.31823	0.3
69.03399	1.0
69.07038	1.3
72.54227	0.2
79.05469	0.8
80.05828	0.3
81.03394	0.3
81.07030	1.1
82.07377	0.3
83.01325	5.3
84.01712	0.2
91.05466	1.4
93.07028	2.1
94.07366	0.3
95.04957	0.4
95.08559	0.5
98.21442	0.7
105.06994	0.9
107.08588	1.4
108.08866	0.3
109.06519	0.4
109.10140	0.4
115.05403	0.5
117.07003	0.8
119.08491	0.4
121.05294	0.3
121.05649	0.3
121.06496	3.6
121.10099	1.2
123.08051	0.4
123.11730	0.4
129.06929	0.3
131.08553	2.7
133.06490	0.3
134.07220	0.4
135.08035	5.4
135.11604	0.7
145.06497	0.3
147.04352	0.3
149.05925	0.7
149.09608	5.3
150.09882	0.4
153.05418	2.5
159.08025	6.2
161.05914	0.5
162.06732	5.5
163.07524	8.6
164.07870	0.4
165.05467	0.4
177.09084	15.3
178.09401	0.8
181.08583	0.3
187.07518	4.5
188.07875	0.3
189.09161	0.3
190.06247	0.3
190.31810	0.3
193.08592	0.3
205.08568	66.6
206.08945	3.3
207.06523	0.9
207.09074	1.6
211.09702	0.4
219.10074	0.6
220.10510	0.7
221.10632	0.6
223.09618	100.0
224.09940	4.5
225.07819	0.6
225.10159	1.8
237.11099	1.7
238.11591	0.5
239.11710	0.8
263.11850	0.6
277.17883	0.4
290.14725	0.4
291.15143	0.9
329.20596	1.2
335.15976	0.3
347.21634	8.7
348.22253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
53.52214	1.3
57.03431	2.7
57.06807	2.3
57.07069	35.9
60.82293	1.3
67.05495	1.6
69.03416	1.6
69.07044	2.7
71.01340	1.7
71.08601	1.8
71.81067	2.1
71.81465	2.4
79.05486	5.5
81.07047	8.6
81.10959	1.2
81.11507	1.3
83.01329	12.2
85.02892	2.8
85.06519	7.9
89.06007	4.9
91.05479	4.2
93.07039	15.4
94.07390	2.5
95.04967	2.2
95.08602	5.6
105.07018	22.0
107.08573	11.7
108.08926	2.5
109.06496	4.0
109.10131	4.6
117.07012	2.9
119.08584	8.2
121.06505	5.6
121.10128	100.0
122.10464	3.3
123.08032	5.2
123.11703	4.0
124.12009	2.8
125.05982	3.2
127.03875	2.4
127.07542	25.3
130.07779	3.2
131.08543	2.4
133.10100	11.6
135.08041	2.7
135.11691	16.0
136.12015	3.6
137.05956	2.0
137.08699	1.6
137.13281	2.2
143.08492	2.7
145.10081	14.5
147.07996	1.4
147.11746	2.9
149.09677	2.9
150.09940	1.9
151.07536	2.0
151.09624	2.2
160.08344	2.5
162.06718	1.3
163.07495	2.5
163.11127	11.9
164.07890	2.0
165.07906	1.4
165.09195	8.7
173.09595	60.0
173.14812	1.5
174.09984	1.7
177.09167	3.9
178.09433	5.3
179.09607	2.2
183.10229	3.4
185.09560	2.1
185.13217	1.4
187.07555	5.3
189.09105	2.0
191.10725	7.9
199.14787	1.4
201.08992	1.4
201.12775	2.3
203.07007	1.6
203.14293	11.2
205.08566	10.6
206.08907	20.6
207.09120	20.6
209.11772	2.3
211.09607	3.6
211.11226	5.0
217.08588	8.7
219.10066	1.9
221.10852	3.0
221.15315	15.4
223.09625	11.4
224.09966	25.3
225.10194	30.6
227.14352	7.1
229.12216	18.0
235.09654	3.7
238.11523	1.9
239.11740	3.1
245.15350	12.4
247.13226	4.6
262.11597	2.1
263.11954	2.8
263.16415	2.7
290.14734	1.7
291.15796	11.1
311.19977	3.0
329.20947	16.8
347.21274	42.1
348.21585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.4
57.07061	4.0
61.33493	1.4
67.05493	2.1
69.07056	30.9
71.81025	2.1
79.05499	2.1
81.07066	4.0
81.16599	1.6
83.01331	5.4
91.05445	2.9
93.07037	5.2
95.08585	2.7
97.10197	1.7
98.05296	1.6
105.03371	2.3
105.07021	3.9
107.08545	3.3
109.06512	3.1
109.10148	2.3
113.06030	1.6
119.08527	1.8
121.06483	3.3
121.10146	5.9
123.08057	2.1
123.11693	4.0
131.08557	2.7
133.10083	2.1
135.08049	4.6
135.11659	3.0
137.05968	2.6
141.29724	1.5
145.10159	2.3
149.09616	5.8
153.05400	2.2
159.08015	4.3
161.05893	1.7
162.06758	5.4
163.07521	10.6
163.11105	2.0
165.05458	57.8
171.11861	1.3
177.09093	16.4
187.07544	5.1
189.05463	1.9
189.09105	3.0
191.06984	1.4
205.08575	73.4
206.08916	5.3
207.06500	3.4
207.09171	5.6
217.08624	2.9
219.10173	3.0
221.11699	50.6
222.12056	1.8
223.09624	100.0
224.09969	9.0
225.07602	3.6
225.10219	8.3
232.19855	1.5
233.11810	1.6
243.10120	5.3
261.11157	7.9
279.12244	14.2
279.15906	9.5
291.15784	7.0
301.05930	1.9
311.19766	2.3
329.17297	3.3
329.21021	4.2
347.18015	4.0
347.21881	9.4
359.31287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.2
55.01871	0.9
55.05503	2.5
57.03431	3.8
57.07070	36.5
57.07357	1.8
58.58043	0.6
65.70591	0.7
67.05502	2.3
69.03433	1.1
69.07062	1.3
71.01347	1.1
71.08625	0.8
79.05486	5.1
81.07044	6.4
83.01338	6.8
83.04978	0.7
85.02914	2.4
85.06535	8.0
86.73301	0.7
91.05462	5.2
93.07037	17.1
95.04944	1.7
95.08591	5.7
98.20767	2.1
99.04432	1.1
103.05460	1.1
105.07023	17.4
107.08591	13.2
107.63283	0.7
109.06492	2.8
109.10149	3.8
111.04454	1.4
111.08105	0.8
117.06997	3.0
119.08579	7.4
121.06483	2.5
121.10130	100.0
122.10462	1.1
123.08045	5.7
123.11676	2.5
125.05984	1.9
127.03915	1.8
127.07541	28.5
128.06233	0.8
130.07785	2.2
131.08540	1.5
133.10123	13.9
135.08041	2.3
135.11678	18.9
136.12112	1.7
137.06018	1.0
137.09589	1.4
137.13240	3.0
139.11140	1.0
143.08514	1.4
145.10110	14.0
147.08057	1.2
147.11652	1.8
149.05960	1.1
149.09567	1.1
150.09975	0.8
151.07497	1.2
157.10207	1.0
159.08012	2.1
161.09708	1.0
163.07394	1.9
163.11169	15.6
164.07837	1.7
165.07933	0.8
165.09137	10.3
165.12711	1.1
170.20319	0.8
173.09601	42.6
175.14796	1.7
177.09059	1.9
178.09433	2.7
179.09671	2.7
183.10109	2.7
183.11641	1.4
185.09659	1.5
185.13255	2.2
187.07549	3.2
188.07819	0.8
189.09230	0.8
191.10683	6.0
191.76099	0.7
201.12785	1.6
203.14282	10.4
205.08591	6.3
206.08925	9.8
207.09142	11.1
209.11702	4.3
211.09482	4.8
211.11270	4.2
221.15338	13.5
223.09688	6.8
224.09973	14.7
224.12097	1.1
225.10178	17.1
227.14320	5.3
229.12181	12.2
245.15352	19.0
247.13300	3.0
263.12097	0.7
263.16324	1.4
272.73749	0.7
283.20468	0.8
287.53748	0.8
311.20023	2.5
329.21017	18.1
343.29263	0.8
347.21646	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.2
55.01871	0.9
55.05503	2.5
57.03431	3.8
57.07070	36.5
57.07357	1.8
58.58043	0.6
65.70591	0.7
67.05502	2.3
69.03433	1.1
69.07062	1.3
71.01347	1.1
71.08625	0.8
79.05486	5.1
81.07044	6.4
83.01338	6.8
83.04978	0.7
85.02914	2.4
85.06535	8.0
86.73301	0.7
91.05462	5.2
93.07037	17.1
95.04944	1.7
95.08591	5.7
98.20767	2.1
99.04432	1.1
103.05460	1.1
105.07023	17.4
107.08591	13.2
107.63283	0.7
109.06492	2.8
109.10149	3.8
111.04454	1.4
111.08105	0.8
117.06997	3.0
119.08579	7.4
121.06483	2.5
121.10130	100.0
122.10462	1.1
123.08045	5.7
123.11676	2.5
125.05984	1.9
127.03915	1.8
127.07541	28.5
128.06233	0.8
130.07785	2.2
131.08540	1.5
133.10123	13.9
135.08041	2.3
135.11678	18.9
136.12112	1.7
137.06018	1.0
137.09589	1.4
137.13240	3.0
139.11140	1.0
143.08514	1.4
145.10110	14.0
147.08057	1.2
147.11652	1.8
149.05960	1.1
149.09567	1.1
150.09975	0.8
151.07497	1.2
157.10207	1.0
159.08012	2.1
161.09708	1.0
163.07394	1.9
163.11169	15.6
164.07837	1.7
165.07933	0.8
165.09137	10.3
165.12711	1.1
170.20319	0.8
173.09601	42.6
175.14796	1.7
177.09059	1.9
178.09433	2.7
179.09671	2.7
183.10109	2.7
183.11641	1.4
185.09659	1.5
185.13255	2.2
187.07549	3.2
188.07819	0.8
189.09230	0.8
191.10683	6.0
191.76099	0.7
201.12785	1.6
203.14282	10.4
205.08591	6.3
206.08925	9.8
207.09142	11.1
209.11702	4.3
211.09482	4.8
211.11270	4.2
221.15338	13.5
223.09688	6.8
224.09973	14.7
224.12097	1.1
225.10178	17.1
227.14320	5.3
229.12181	12.2
245.15352	19.0
247.13300	3.0
263.12097	0.7
263.16324	1.4
272.73749	0.7
283.20468	0.8
287.53748	0.8
311.20023	2.5
329.21017	18.1
343.29263	0.8
347.21646	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05505	1.9
57.03424	3.8
57.07069	40.3
67.05504	1.5
69.03429	1.4
70.68327	2.7
71.01340	0.8
79.05487	6.7
81.07052	7.9
83.01328	14.1
85.02896	2.3
85.06530	5.5
91.05466	4.0
93.06441	1.0
93.07031	13.2
95.04945	1.4
95.08611	4.2
98.20854	0.9
99.04457	1.3
99.08053	1.2
105.07018	23.0
106.07844	1.3
107.08581	8.8
109.06518	3.7
109.10132	2.8
111.04422	0.8
117.06995	4.2
119.08556	6.4
121.06504	2.0
121.10129	100.0
122.10435	1.9
123.08043	4.4
123.11671	1.4
125.05990	2.4
127.03874	2.7
127.07534	30.3
128.06122	0.7
129.06966	1.1
130.07768	3.9
131.08545	1.6
133.07564	1.3
133.10110	11.4
135.08115	1.2
135.11668	13.2
135.96925	0.7
137.06033	1.3
137.09627	0.8
137.13248	2.0
141.06963	1.2
143.08551	3.1
145.10112	15.5
147.08029	1.7
147.11691	1.9
151.07497	0.9
155.08504	1.0
157.10143	1.8
159.08063	1.1
159.11697	0.7
161.09634	1.6
161.13193	0.7
163.11174	15.5
165.09108	13.2
165.12750	1.7
168.09302	1.4
173.09596	58.5
173.13158	1.6
174.09962	2.1
175.11154	2.2
175.14868	2.5
183.08755	0.7
183.10158	3.0
183.11687	2.1
185.09581	1.3
185.13239	2.3
187.07495	4.8
191.10635	7.9
197.09689	0.8
201.12753	2.0
203.14299	10.1
209.11690	4.0
211.09288	3.5
211.11320	5.4
212.11823	0.8
221.15329	17.4
227.14304	6.0
229.12199	19.2
245.15334	9.7
247.13138	4.8
263.16376	1.9
311.20004	2.6
329.21063	13.6
347.21933	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	1.6
67.05492	2.6
69.03432	1.6
69.07060	55.8
70.07388	1.1
71.04977	2.4
71.24247	1.8
79.05485	1.2
81.07076	0.9
81.10698	0.6
83.01348	2.4
86.60065	0.7
91.05484	1.6
93.07039	2.2
95.05003	1.2
95.08584	3.1
105.07026	2.8
107.08589	3.4
108.08876	1.3
109.06502	1.1
111.04429	1.0
113.05991	1.9
117.07021	0.9
119.08577	0.9
121.06513	1.1
121.10120	1.6
122.10901	2.1
123.08088	1.5
123.11314	1.1
131.08614	0.7
133.06404	0.6
133.10181	3.3
135.08064	2.4
136.11992	0.6
137.05988	1.7
139.07532	0.9
143.08514	1.2
145.10081	1.7
147.08047	1.3
147.54797	0.6
149.06000	0.9
149.09578	1.7
151.07503	1.2
151.11264	0.6
159.08020	1.2
161.05966	1.9
161.09654	3.6
163.03830	0.9
163.07533	2.0
163.11223	1.2
165.05472	3.4
165.56218	0.7
167.07104	3.3
171.08052	1.1
173.09595	3.5
175.07547	1.4
176.08328	2.0
177.09119	5.9
177.53647	0.6
179.07014	2.7
189.09090	10.3
191.07008	10.8
191.10643	5.0
192.07597	0.7
193.04967	1.2
195.10155	0.7
199.07516	2.5
201.09074	2.8
203.06984	3.1
204.07736	1.4
205.08592	2.8
205.12157	1.3
206.08932	0.9
207.06473	3.5
208.07043	1.1
209.08070	10.3
215.10576	1.3
217.08580	17.3
218.09152	1.9
219.10147	20.3
220.10579	1.0
221.08044	4.0
223.06197	0.8
223.09500	0.7
224.06458	1.1
224.09959	1.0
225.07495	3.3
226.07863	1.4
228.07906	2.7
233.11659	5.6
235.09601	4.1
237.11168	8.6
243.10147	44.2
244.10519	2.8
246.08823	1.3
259.09686	1.2
259.13074	1.3
261.11191	41.9
262.11526	1.8
269.11414	0.8
272.09827	0.8
277.10773	1.8
277.14349	4.9
279.12256	100.0
280.12607	6.8
286.11606	1.1
304.12500	2.6
311.16321	1.1
329.17389	7.1
329.20758	1.1
332.15759	1.2
347.18439	25.3
348.18701	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
55.05513	0.9
56.96567	0.8
57.03415	1.0
57.07054	1.7
59.04990	5.6
65.03912	0.8
66.04685	0.9
67.05482	2.2
68.99755	1.0
69.03387	1.0
69.07059	42.9
70.07347	0.9
70.69573	0.6
70.76133	0.7
71.04962	0.9
71.81020	1.1
79.01820	0.8
79.05463	1.9
81.07048	2.8
82.04163	0.8
83.04964	1.5
85.06556	0.8
91.05466	2.1
93.03363	0.7
93.07018	2.9
94.04140	1.8
95.04958	11.4
95.08571	1.7
96.05766	0.8
97.02915	1.4
97.06535	1.0
100.86739	0.7
105.03344	2.4
105.07013	2.0
107.04922	3.4
107.08610	1.7
109.02847	3.1
109.06496	3.0
109.10118	1.4
110.03630	0.8
111.04428	13.0
119.08588	1.9
121.06492	1.0
121.10123	3.0
122.03637	7.5
123.04418	38.8
123.08024	1.3
124.05213	12.4
125.02334	2.0
125.05942	2.4
126.71038	0.8
127.03893	2.0
129.06967	1.8
133.10117	0.9
135.11691	1.4
137.05963	13.0
139.03882	40.1
140.04625	3.2
140.81592	0.7
141.05452	1.2
145.10112	1.9
147.11685	0.8
150.03096	1.3
151.03877	4.6
152.04669	36.4
153.05460	7.6
155.03328	5.0
157.06494	1.7
157.10120	0.8
159.08066	1.0
161.05968	0.8
161.09647	1.4
163.11084	1.1
165.05420	2.0
165.09009	1.1
167.03389	9.2
168.04187	3.8
169.04977	1.0
175.07474	3.7
185.09563	0.7
189.09116	1.8
191.07040	0.8
191.10603	0.8
199.11256	0.9
203.10706	0.8
207.10188	5.7
208.10919	26.2
209.11455	1.2
213.91003	0.8
241.12155	1.0
255.08986	1.1
263.04462	1.5
263.16330	0.9
279.08627	7.0
283.08374	1.1
290.03656	0.9
291.03601	2.7
291.08585	100.0
292.09024	4.8
329.09332	0.8
329.17273	1.6
329.20935	1.9
347.10187	4.9
347.14832	4.1
347.18661	3.3
347.22153	1.9
348.15161	1.3
350.32797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.7
53.03940	3.1
55.01862	1.0
59.04990	1.9
61.83044	0.6
67.05493	2.6
68.06113	0.6
68.99800	1.5
69.03427	1.2
69.07064	17.3
69.75021	4.6
71.04987	2.5
75.42598	0.6
77.03926	0.9
79.05476	1.8
81.07040	2.5
83.04968	1.3
85.06526	0.9
91.05468	2.0
93.07030	3.0
95.04964	11.5
95.08596	4.3
97.06529	1.2
99.04298	0.7
103.05453	0.9
105.03383	100.0
105.07009	4.3
106.03706	2.7
107.04903	1.0
107.08595	2.5
109.02882	1.0
109.06471	1.0
109.10152	1.5
111.04458	5.1
111.08008	0.9
113.05960	0.9
115.05449	1.0
117.07019	1.4
119.08581	1.9
121.02840	6.9
121.06521	0.9
121.10143	6.4
122.03630	1.9
123.04419	14.2
123.08055	6.5
123.11710	1.3
124.05176	5.3
125.02347	0.9
125.06006	1.7
125.09642	2.1
127.03922	1.1
129.03427	0.9
130.35269	0.8
131.08574	1.0
133.06483	20.5
135.11716	1.0
137.05977	5.4
139.03897	16.7
140.04675	1.9
147.04425	1.6
147.07983	0.7
150.03156	0.8
151.03917	2.1
151.07547	1.6
151.11183	0.8
152.04675	14.6
153.05438	3.3
155.03371	1.8
155.10696	0.9
159.11720	0.7
163.07559	0.8
165.05486	0.9
167.03419	3.8
168.04156	1.2
171.06573	1.9
171.08000	0.9
173.09735	0.8
175.07520	1.1
180.09258	1.1
181.06450	0.8
185.09621	1.2
187.07568	0.7
189.09186	0.8
191.03374	6.0
191.07027	1.2
195.11705	1.6
198.10414	1.3
199.07516	7.2
207.06567	1.0
207.10164	2.3
208.08893	1.7
208.10895	10.1
209.11534	0.7
213.05267	0.9
213.12761	3.0
223.11162	1.9
231.10083	3.8
241.12218	12.4
243.06506	1.0
245.08086	1.3
251.10706	1.1
257.04437	3.1
263.89154	0.7
269.11725	15.3
275.04431	1.6
279.10175	3.0
283.13293	4.1
287.12683	1.0
291.08612	41.4
292.08905	1.9
297.11169	13.0
301.14310	4.6
315.12347	2.6
329.09604	2.2
329.13858	12.5
329.17389	1.7
329.20706	0.7
334.08685	0.8
347.10379	3.2
347.14847	2.7
347.18555	1.5
347.22235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03943	1.5
55.01855	1.3
59.04993	10.8
66.04716	1.6
67.05498	2.1
68.99776	1.2
69.03414	1.0
69.06689	1.7
69.07061	34.1
69.65859	6.7
70.07408	1.0
71.04989	0.9
73.57005	0.8
79.01842	2.1
79.05468	1.3
81.03381	1.1
81.07046	1.6
83.01287	0.7
83.04974	1.1
83.15479	0.8
85.02924	1.1
91.05460	1.2
93.03387	1.7
93.07031	1.6
94.04173	2.2
94.62233	0.7
95.04401	1.1
95.04955	12.7
95.08591	1.0
95.13165	0.8
97.06551	0.9
98.56942	0.8
105.03375	15.5
105.07021	2.0
107.04942	1.7
107.08584	1.0
108.79209	0.7
109.06499	1.3
111.04429	33.7
117.07008	0.8
121.10119	6.8
122.03640	5.8
123.04424	12.3
123.08062	1.6
123.11636	0.9
124.05197	15.3
125.05984	9.2
127.03915	6.4
129.06970	2.2
131.08560	1.0
133.06436	2.7
135.11642	1.2
137.02332	0.8
137.05966	7.3
138.03113	1.4
139.03882	100.0
140.04292	1.2
141.05432	1.2
145.06422	1.9
147.04385	1.0
149.05988	1.0
150.03030	1.4
151.03917	3.8
152.04665	42.1
153.05508	4.4
155.03377	13.6
157.06496	1.1
161.05981	1.3
165.05453	2.6
167.03389	15.4
168.04158	7.9
173.06001	1.0
175.07538	5.1
189.09114	1.2
191.07108	4.2
191.10692	0.9
199.07440	1.0
207.10149	13.6
208.10915	30.8
209.08075	0.9
209.11496	2.6
223.09641	2.3
241.12230	3.7
259.05902	0.8
269.11591	2.0
273.03995	1.4
273.07339	1.0
279.08545	4.3
291.08603	58.9
292.08984	2.4
294.07834	0.9
297.11151	1.5
297.40936	0.8
311.16364	1.2
329.09979	1.6
329.13824	1.6
329.17303	1.5
329.47644	0.8
343.37231	0.7
347.10703	1.3
347.14804	8.9
347.18652	1.9
347.22192	0.9
352.15997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1316
Annotation	Nordercitin
Peak:m/z	Relative Intensity
53.03930	3.0
55.01846	5.2
55.05252	1.7
55.05503	30.2
57.03418	5.6
61.02894	4.1
66.88370	1.3
67.05484	3.5
68.99784	1.2
69.03419	17.1
70.06586	2.6
71.04967	3.6
71.76998	1.5
73.02898	2.8
79.05488	2.7
81.03397	5.1
81.07036	6.3
83.04966	7.5
83.08604	18.7
84.04478	3.0
84.08128	26.8
85.02889	31.3
85.06550	3.2
86.03226	5.1
86.09673	4.3
87.00811	4.4
87.04446	3.3
91.05472	2.6
93.07020	6.1
95.04916	2.5
95.08598	4.4
97.02877	13.8
98.03227	2.2
99.04422	2.6
105.01828	2.8
105.07034	3.6
107.04930	7.3
107.08572	6.1
108.05256	5.0
109.02874	3.0
109.06494	7.1
109.10161	6.8
111.04445	1.3
113.05957	1.6
115.03912	18.8
117.23516	1.5
119.04926	2.0
119.08565	1.9
121.06470	2.7
121.10116	5.4
123.04433	3.3
123.08047	4.0
123.95568	1.5
125.02349	5.2
125.05962	2.7
125.09623	2.0
127.03936	7.0
128.04221	2.6
130.04971	1.7
130.08585	2.4
133.04933	3.4
133.06502	2.5
137.05914	1.9
137.09587	8.9
145.04921	5.8
146.05266	2.2
147.04404	3.3
148.04718	3.0
149.05966	4.2
149.09604	3.9
150.06291	3.9
151.07527	3.6
161.04419	5.5
163.03842	1.6
165.05507	3.1
165.06865	1.8
166.05753	2.1
167.06961	5.7
167.10641	27.6
169.08589	3.1
180.08588	2.4
181.04982	2.8
185.04269	2.7
185.07907	12.0
185.11707	11.7
195.00938	1.4
195.02841	3.3
197.06068	1.4
201.03870	2.3
203.05293	7.4
219.04948	3.1
233.08188	2.4
234.08412	2.3
258.08731	4.9
272.10397	3.6
273.11319	2.8
284.18475	1.6
285.12979	3.5
287.05588	2.0
301.12531	56.1
329.10968	1.5
347.13089	100.0
347.21652	8.7
348.13443	4.5
356.24283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01870	3.6
55.05503	0.8
55.65629	0.5
57.03425	1.5
67.05492	1.1
69.03425	1.2
69.07057	0.7
71.04974	0.7
71.81866	0.6
72.08105	0.5
74.24172	0.6
79.05483	1.6
80.05010	0.7
81.07056	1.3
81.83135	0.5
85.02875	1.2
85.06517	2.3
91.05468	2.3
93.07053	2.4
95.04949	1.7
95.08588	1.3
97.02858	0.6
97.06479	0.5
103.05456	0.8
105.07017	1.0
107.04935	2.4
107.08537	1.2
108.04482	0.5
109.10152	0.8
110.05997	0.6
117.06948	0.9
119.04942	0.7
119.08591	0.7
121.06494	2.4
121.10121	1.3
122.06041	0.9
123.04411	3.4
123.11706	0.7
124.05158	0.7
125.45755	0.4
127.07526	0.6
128.06213	1.2
129.06990	2.0
130.06482	0.9
131.04842	0.6
131.08501	0.7
133.10094	0.7
134.06013	0.7
135.04376	0.8
135.08018	0.8
137.05965	2.3
138.05458	1.0
139.03842	0.8
142.07753	0.5
145.10075	1.1
146.05969	2.1
147.04364	3.4
147.08012	1.7
149.05962	1.7
149.09514	0.7
151.03870	2.3
151.07498	1.1
152.03421	1.0
153.05443	2.1
154.06271	0.6
155.07130	0.5
156.08054	1.0
157.06441	1.2
157.07607	0.9
158.06023	0.6
160.03906	0.9
161.04729	0.9
161.05983	1.2
162.05479	0.9
162.90508	0.6
163.07509	0.5
165.05531	0.8
165.06883	0.8
166.06357	0.7
167.07030	6.0
167.10640	1.5
167.14328	1.1
168.08014	0.8
169.07619	1.0
170.08310	0.9
171.09171	0.8
172.07515	0.8
175.07520	5.7
176.07103	0.8
178.04967	3.0
180.07968	0.7
181.08588	6.7
183.09131	0.8
184.07622	0.7
185.07076	2.2
185.10677	1.2
186.07697	0.9
186.09138	1.5
187.04970	2.5
191.14320	0.7
193.08641	0.7
195.02910	0.6
195.09250	1.2
196.07568	0.9
197.07068	1.1
197.10794	0.7
198.07832	1.3
199.08641	6.1
199.12277	0.6
200.09241	0.8
201.06583	3.5
201.10214	1.6
203.08353	0.6
205.06039	1.2
209.10844	1.0
209.15300	0.8
210.09108	1.8
211.08664	2.2
212.07106	0.5
212.09325	2.0
213.06671	6.3
213.10239	6.8
215.08258	0.8
215.11855	1.2
219.07594	0.7
225.06796	0.7
225.08968	0.7
227.08153	7.1
227.11685	3.7
228.10304	1.0
229.09755	3.5
231.07646	4.3
237.10118	2.2
238.08618	2.3
239.08134	1.1
239.11768	0.8
241.06113	0.6
241.09769	7.5
243.11148	1.6
244.08406	1.2
245.09082	1.9
250.07256	0.6
255.07617	9.4
255.11267	6.7
257.09055	2.3
257.12750	1.8
259.07269	1.1
259.10764	3.6
265.09656	3.9
266.08051	1.0
267.07587	1.7
269.09149	8.6
269.12741	1.6
271.09677	1.0
273.03949	0.7
273.08694	5.2
274.99896	0.9
275.10284	2.0
283.10736	17.2
283.13812	1.2
284.11258	1.1
287.10269	3.4
293.09195	5.8
297.11646	0.8
301.11612	3.9
303.12381	1.0
311.10214	36.8
312.10486	1.7
315.13391	6.7
319.12872	1.8
321.82443	0.7
329.11249	65.6
330.11581	4.1
347.12308	100.0
348.12592	5.8
357.86322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22414	0.7
56.96498	2.2
61.02883	1.0
69.03366	1.8
70.28947	2.0
81.03352	0.6
85.02884	4.0
87.04396	0.5
97.02831	1.4
98.20773	0.7
98.97532	1.3
99.04380	0.9
101.00842	0.6
114.01411	0.5
116.98563	0.9
119.01837	1.9
127.03854	1.8
128.98505	0.7
131.01817	0.7
134.04092	0.6
137.02878	0.8
143.01822	0.9
145.03484	0.8
145.04865	0.6
146.99586	0.7
157.03485	0.7
159.04953	1.0
161.02896	1.8
172.97598	0.7
173.02959	1.0
177.00661	0.7
177.04181	0.7
183.11014	0.6
184.05786	5.8
185.04196	100.0
185.05943	5.9
186.04539	1.9
186.06099	0.7
191.77765	0.6
203.03865	1.2
221.02966	0.6
245.05145	1.3
249.02760	0.8
267.07269	0.7
267.78647	0.6
275.06125	1.5
279.66245	0.6
280.03336	0.5
303.10687	0.6
347.09650	50.0
347.12946	6.2
348.09967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1233
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.72263	0.6
50.87354	0.5
55.01865	4.5
57.03414	2.1
57.07059	0.7
65.11196	0.6
65.22166	0.6
67.05486	1.4
68.99771	0.6
69.03385	0.7
69.07062	0.6
71.04976	0.7
71.78913	0.7
75.52647	0.6
79.05484	1.9
79.17577	0.6
81.03394	1.1
81.07046	1.0
81.44112	0.6
84.04471	1.3
85.02892	4.1
85.06529	2.3
86.22130	0.6
88.64589	0.6
91.05444	2.4
93.07038	1.6
95.04935	2.3
95.08577	1.2
97.02882	0.9
103.05460	0.8
105.03392	0.7
105.07018	0.9
107.04941	2.3
108.04450	1.0
108.50004	0.6
109.02844	0.8
119.04883	0.6
119.08572	0.7
121.02807	1.1
121.06503	1.8
121.10101	0.8
123.04417	15.1
125.02348	0.9
125.05991	0.7
127.07513	0.8
128.06149	0.9
129.06981	2.6
131.04868	0.8
134.05969	1.0
135.04430	1.4
137.05951	1.8
139.03908	0.6
145.02852	0.7
146.05972	1.4
147.04402	3.4
147.08015	1.5
149.05997	1.2
151.03864	2.8
152.03381	1.1
153.01711	0.7
153.05446	1.0
153.06981	1.7
154.06400	0.8
157.06473	0.7
158.05904	0.7
160.03893	0.9
161.05937	1.1
162.05510	1.3
163.03838	1.5
163.07513	1.2
165.05521	1.2
165.06902	1.3
166.06346	0.9
167.05794	0.7
167.07047	7.2
167.10684	1.4
167.14348	0.9
167.79295	0.7
168.06531	0.6
169.07637	1.4
170.08322	1.1
171.09203	0.9
173.02309	3.2
175.07506	7.1
176.07004	0.9
178.04945	3.1
179.03369	0.7
180.07803	1.1
181.06465	1.7
181.08604	4.8
183.09117	0.7
184.07574	1.3
185.07140	2.3
185.10663	1.1
186.09119	0.8
187.05005	2.0
191.03377	2.9
193.08607	0.9
195.02844	12.9
195.09146	1.2
196.03271	0.7
196.07446	0.9
197.07117	1.3
197.10832	0.8
198.07715	0.9
198.09299	0.8
199.08737	4.9
199.12358	0.6
200.09090	0.7
200.10820	1.0
201.06580	3.4
201.10100	1.6
203.03516	0.6
205.06029	0.9
209.10847	0.9
210.09085	1.6
211.08774	1.3
212.09242	1.5
213.06618	4.9
213.10216	7.1
215.07970	0.8
215.11810	1.3
219.07790	1.0
223.08649	1.1
227.08258	6.7
227.11752	3.0
228.10364	1.1
229.09763	2.8
231.07639	4.0
237.10027	2.8
238.08533	1.3
239.08141	1.1
240.89445	0.7
241.09772	5.8
245.09140	1.4
251.10760	0.8
255.07797	8.1
255.11186	6.3
257.09180	2.3
257.12866	1.0
259.07141	0.9
259.10751	3.4
265.09872	2.9
267.07605	1.7
267.10889	0.7
269.09152	7.7
269.12689	1.7
273.04016	1.0
273.08334	4.0
273.11691	1.0
274.99902	0.8
275.10312	0.7
275.13721	0.7
283.06110	2.9
283.10730	18.0
284.11435	0.7
285.12134	0.7
287.10281	2.9
293.09137	6.5
297.12030	1.0
301.07217	6.9
301.11539	5.0
311.10214	39.7
312.10541	2.2
315.13351	6.0
319.12915	2.3
329.06818	2.5
329.11240	61.5
330.11563	4.1
347.12311	100.0
348.12683	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	347.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40921	1.1
55.01876	1.2
56.96563	13.2
57.03437	5.0
57.49168	1.0
61.02926	7.2
64.29894	0.8
65.03915	1.4
69.03429	9.9
71.04981	4.0
73.02911	4.7
81.02876	0.9
81.03411	3.4
84.08140	2.6
84.96018	1.6
85.02898	22.7
86.03249	1.2
87.04448	2.4
89.03905	2.9
91.05460	1.1
93.47347	1.0
97.02882	8.7
98.21465	2.9
98.97571	7.4
99.04439	1.4
101.00872	1.5
102.05513	2.1
109.02972	1.9
111.04481	1.2
115.02425	1.3
115.03915	1.2
116.98606	7.4
117.03352	2.1
119.01890	6.9
120.00744	1.4
123.04506	1.0
127.03909	7.4
128.04218	1.4
128.98636	2.0
129.00253	1.1
129.10228	1.4
131.00154	3.0
131.01884	2.1
133.01709	1.3
133.03412	1.3
134.99641	2.8
135.04329	6.4
136.04688	1.4
136.06158	2.4
141.03075	1.5
143.00154	3.0
143.01900	2.9
145.02751	2.2
145.04987	3.3
146.03406	1.5
146.99629	3.9
148.02089	1.3
149.01230	2.6
149.02780	1.1
150.01779	1.8
150.03696	1.2
151.03893	2.2
155.02895	1.4
157.01520	1.3
158.99623	3.1
159.05048	3.7
161.01227	5.2
161.02914	4.0
161.05530	1.6
162.99176	1.3
163.02740	1.7
163.03883	29.2
163.54576	1.3
164.04230	8.0
165.00699	1.4
169.03479	1.2
170.06149	2.0
170.99669	3.5
171.05063	2.4
172.95241	1.1
173.01326	2.0
173.02954	3.3
176.03421	1.7
176.06181	1.9
177.00720	3.7
177.02435	1.1
177.04193	3.8
177.06082	2.0
181.04988	1.5
183.04956	1.5
184.05821	8.9
185.04208	100.0
185.06085	9.3
186.04646	4.0
187.02817	1.2
187.04404	1.5
188.97075	2.0
189.00703	4.3
189.04117	1.2
190.98604	1.2
191.02243	2.0
191.03911	2.8
193.00212	1.4
196.54576	1.2
197.03009	2.3
200.04395	2.5
201.00728	3.2
201.06052	1.9
203.03870	2.4
205.01898	1.4
205.03679	1.2
207.05290	1.1
207.09161	1.0
209.03078	1.5
212.02568	1.3
213.00633	1.3
219.01784	4.5
219.07167	1.7
221.02988	1.4
221.04968	1.4
226.02335	3.2
227.04155	3.1
230.36299	1.4
231.01738	1.5
235.02832	3.5
235.06625	2.1
237.02777	4.9
239.04108	1.9
241.56458	1.4
242.05409	2.9
242.07909	1.5
245.05138	3.9
248.05423	1.2
249.02763	1.9
251.04282	2.2
251.08438	1.4
257.05927	6.1
258.06381	1.4
261.08197	2.5
263.01117	1.2
266.06540	4.5
266.09052	1.6
267.03860	3.0
267.07288	3.2
275.06183	4.9
291.03839	1.9
309.04773	1.2
337.08371	2.1
347.09802	48.3
351.11197	1.2
355.09137	1.1
365.27353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08686	1.0
54.61376	0.9
56.96565	4.8
58.14840	0.9
60.68449	1.0
65.79473	0.9
69.03409	1.6
70.26463	5.2
73.02923	0.9
76.80779	0.9
82.99857	1.0
85.02897	4.6
97.02912	1.7
98.20763	1.0
98.97579	3.3
99.02959	1.9
101.00859	8.6
116.07319	1.0
116.98596	1.9
117.03992	14.6
119.01908	50.2
123.04434	2.3
135.05064	11.5
136.06183	4.0
137.02946	13.7
141.03929	7.0
143.01869	1.1
145.02834	1.0
147.04387	2.3
157.07106	7.6
159.05017	100.0
160.05177	3.8
161.02960	5.3
163.03873	7.7
175.04584	0.9
175.08127	7.3
177.06067	33.3
178.06354	1.7
182.06627	3.4
183.05074	4.0
185.01312	2.1
185.02895	15.6
185.04263	1.4
194.03334	2.8
199.08127	6.3
201.06065	35.4
202.06209	1.5
203.03979	63.9
203.23602	1.1
204.04289	2.1
217.09215	1.2
219.01640	1.6
219.07054	1.5
221.05089	8.3
225.06148	1.4
226.05577	2.0
227.04022	2.8
231.01724	1.1
237.02753	1.7
243.07246	1.9
245.05046	13.8
261.08212	3.4
264.06140	1.1
274.89362	1.0
287.06168	5.3
299.38474	1.1
326.08014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0756
Annotation	Trichione
Peak:m/z	Relative Intensity
51.02371	0.5
53.03940	0.9
55.01863	1.7
55.30270	0.4
57.03168	0.6
57.03429	7.4
58.67504	0.4
65.03928	1.0
67.05489	1.4
68.99768	3.1
69.03413	0.8
70.16109	2.5
71.04980	0.9
77.03919	1.2
79.05479	1.7
81.03402	4.0
81.07079	0.5
83.01347	1.1
83.04967	1.1
83.59772	0.5
85.02891	22.5
89.03894	0.6
91.05486	0.7
93.03367	1.2
93.07022	1.2
95.04952	4.0
95.08573	0.8
97.02879	3.5
102.88085	0.4
105.03363	1.9
107.01295	1.4
107.04936	5.1
107.08630	0.5
109.02857	3.5
109.06477	0.5
111.00788	1.4
111.04437	1.4
117.03382	0.8
119.04942	0.5
121.02866	3.6
121.10110	0.5
123.04410	99.7
124.04752	2.0
125.02339	4.4
127.03907	1.4
133.02841	2.3
133.06514	0.6
135.04396	11.4
137.02313	3.4
137.03194	0.5
139.03880	1.9
143.04883	0.6
145.02826	4.1
147.04385	1.9
149.02330	3.1
151.03885	9.1
153.01830	4.3
153.05792	0.7
153.06975	4.5
157.06474	0.9
161.02364	3.1
161.05876	0.7
163.03885	9.3
165.01813	5.1
165.06985	0.9
167.03416	2.3
167.04776	0.5
167.14323	0.8
169.04942	3.0
169.06390	0.8
171.02864	3.2
171.07964	1.1
173.02325	21.2
174.02686	0.4
175.03867	1.1
175.07515	0.7
177.01729	3.3
179.03340	2.7
181.04970	0.6
181.06445	9.3
182.06822	0.8
183.02840	1.6
184.05151	0.6
185.05966	1.3
189.05435	1.3
191.03368	17.0
192.03917	0.7
192.69838	0.5
195.02866	100.0
196.03236	2.8
197.05930	0.8
199.07513	3.8
202.29353	0.5
203.03412	2.5
209.04317	2.1
209.05975	5.5
211.02376	1.0
213.03879	3.0
213.05420	1.0
221.06044	0.5
226.06238	0.8
227.07014	5.0
229.04826	2.2
237.03831	4.1
237.05525	3.5
238.05928	0.6
239.07027	0.5
241.04942	1.5
243.06517	0.6
245.07939	0.9
254.05753	0.7
255.06493	25.2
256.06796	1.0
257.04407	3.3
258.05298	2.2
259.05994	0.9
265.04895	0.7
267.06451	1.9
269.04361	2.0
269.09183	0.5
271.06012	1.7
273.07541	22.9
274.07843	0.6
283.05981	21.8
283.10666	0.9
284.06308	0.7
300.06146	1.7
301.07022	73.3
302.07382	3.6
311.05408	8.9
311.10303	0.6
329.06543	23.3
329.10855	1.7
330.06754	1.3
332.05066	0.5
347.03452	0.9
347.07541	9.7
347.12140	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	347.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	6.7
61.02888	2.9
69.03415	5.4
71.79407	2.8
71.79770	2.6
84.08125	3.7
85.02891	11.6
97.02866	6.5
98.97557	8.1
101.00883	2.3
116.98625	4.4
117.03974	4.4
119.01909	11.6
127.02338	1.9
127.03921	2.7
128.98633	2.2
130.73938	1.8
134.05002	1.7
137.02937	4.6
142.01756	4.6
143.00104	2.3
143.01854	2.1
145.04935	2.3
157.07130	2.0
158.99733	2.7
159.05032	19.0
160.02774	2.6
161.01128	2.1
161.02936	5.0
163.03865	3.1
167.05107	1.8
175.08118	2.9
177.06073	9.0
184.05824	6.8
185.02950	3.6
185.04204	100.0
185.05869	5.2
185.07750	2.9
186.04590	4.2
189.00787	2.9
191.03777	1.8
197.02951	3.2
200.04305	2.9
201.06049	7.7
203.03934	14.4
219.01697	3.0
221.04671	3.6
227.03938	2.3
234.12491	2.3
237.02750	3.2
245.04982	6.3
257.05621	3.4
261.02786	2.6
261.08167	3.6
266.06366	2.7
267.07300	2.0
275.06110	2.5
287.05783	3.2
327.80969	2.0
347.07233	14.8
347.09384	36.2
347.13135	15.3
347.16736	10.4
347.20709	2.6
347.22171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40765	0.3
55.05500	1.0
56.05829	0.4
57.03424	0.4
64.22057	0.4
65.03957	0.3
67.05501	2.2
68.05817	0.6
69.03414	1.0
69.07072	1.9
70.07372	0.6
70.16156	0.3
71.82154	0.5
79.05485	2.0
80.05793	1.1
81.07051	3.7
82.07362	1.6
83.01317	5.0
84.01663	1.2
85.06514	0.4
91.05460	2.8
92.05798	1.7
93.07027	9.4
94.07375	4.6
95.04948	1.4
95.08595	1.3
96.08929	0.7
105.07013	1.3
106.07378	0.7
107.08582	7.4
107.09281	0.3
108.08900	4.2
109.06477	0.6
109.10153	3.8
110.06822	0.5
110.10493	1.9
113.06012	2.8
114.06321	1.0
117.06989	0.8
118.07329	0.7
119.04897	0.4
119.08537	0.8
120.08877	0.7
120.22723	0.4
121.06484	4.4
121.10086	1.0
122.06805	2.7
122.10471	0.5
123.08033	0.7
123.11698	2.6
124.12027	1.6
131.08525	1.4
132.08916	1.8
134.34052	0.3
135.08032	4.2
135.11676	7.8
136.08386	3.6
136.11044	0.6
136.12003	5.6
137.05997	0.9
138.06387	0.4
139.03923	0.4
145.06479	0.7
145.10109	0.7
146.06825	0.3
146.10419	1.1
147.08046	0.4
148.08331	0.5
149.05927	0.7
149.09605	3.9
150.06332	0.5
150.09938	3.4
151.07590	0.5
152.07979	0.4
153.05429	1.0
154.05725	0.6
157.17793	0.3
159.08047	2.7
160.08380	3.4
161.06047	0.3
162.06767	4.0
163.07477	6.9
163.11238	0.4
164.07872	6.1
164.11519	0.6
165.05432	0.9
165.09137	0.7
166.05786	0.5
166.09424	0.6
167.05952	0.6
169.08604	0.4
173.09598	1.4
174.09938	1.5
175.07472	0.9
176.08322	2.6
177.09056	9.8
177.12686	0.7
178.05879	0.6
178.09415	9.4
178.13042	1.1
181.08615	0.6
182.08977	0.6
186.06865	0.5
187.07437	2.8
188.07878	3.0
188.11537	0.8
190.06143	0.4
191.06975	4.6
191.10646	3.6
192.07468	5.9
192.10957	4.8
193.08339	3.6
194.08975	2.3
195.10190	0.5
196.10355	0.6
198.09842	0.4
201.08971	1.4
202.09351	1.9
204.07648	1.0
204.10995	0.5
205.08583	32.9
206.08919	42.2
207.09041	0.8
211.09569	2.5
212.09982	2.1
215.10559	0.6
216.07625	0.4
216.11002	1.6
216.14513	0.6
218.09134	0.6
219.10135	12.0
220.08292	0.4
220.10480	18.2
223.09627	37.1
224.09962	47.8
225.10138	1.7
225.12218	0.4
228.11288	0.5
229.08321	0.7
229.11861	0.6
230.08984	1.5
230.12488	0.9
231.09796	1.0
232.10469	1.0
233.11626	0.7
234.12000	1.3
237.11189	12.4
238.11525	21.2
239.11873	0.6
243.10161	2.6
243.13618	0.6
244.10477	5.5
244.14114	1.3
245.11443	0.8
246.12093	1.1
247.09448	0.4
248.09882	0.6
248.13611	0.5
256.10712	0.4
257.11325	1.0
258.12177	0.6
261.11206	3.9
262.11554	11.1
264.13037	0.4
266.14685	1.0
271.13321	2.1
272.13632	7.2
273.14081	0.4
276.13049	0.7
276.16736	0.6
286.15131	0.9
289.14249	3.6
289.17068	0.6
290.14624	18.1
291.15012	0.8
296.07111	0.4
298.22900	0.4
325.89606	0.4
328.19833	16.0
329.20718	0.4
346.20874	100.0
347.21240	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23201	1.8
55.01862	2.5
57.03406	6.6
61.02916	11.5
69.03422	17.2
70.00713	1.7
71.04968	3.2
71.54284	3.9
73.02892	3.8
78.82132	1.5
81.03405	8.7
85.02896	100.0
87.04449	2.7
91.03930	6.9
96.94518	1.7
97.02882	26.3
99.04436	4.2
107.04938	71.0
109.02860	7.2
112.92033	1.6
115.03960	1.9
121.06504	2.8
121.28442	1.4
127.03909	22.3
139.47980	1.6
145.03825	2.9
145.04945	39.5
147.04405	2.4
149.04851	3.2
149.05963	25.4
163.05998	7.3
166.08632	1.8
167.07040	16.5
167.96405	1.5
168.07341	1.9
173.05965	4.4
180.08650	21.2
184.09674	6.6
215.07091	9.3
233.08127	8.0
257.08051	4.5
275.09158	4.9
293.09973	1.7
346.14990	6.9
347.12943	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	346.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07256	5.1
55.05497	7.8
57.41852	4.9
67.05492	11.1
69.07052	8.1
71.04983	12.0
76.63735	5.8
79.05490	6.2
81.07037	11.1
93.07020	23.1
95.04948	9.1
95.08608	19.3
105.07023	10.9
106.73851	5.9
109.10131	7.0
111.04428	12.4
112.24120	5.2
119.08559	7.1
121.06480	7.5
121.10159	17.5
123.04384	6.2
123.08035	8.3
135.11671	4.9
137.09576	8.3
139.03877	11.6
145.10114	4.7
149.09641	5.5
163.07590	7.9
165.09085	11.6
171.06544	14.0
175.07552	5.7
203.10818	5.7
208.10692	5.2
209.08110	14.0
223.09554	7.8
235.13332	13.5
245.04404	5.7
246.04836	5.8
257.04428	11.5
258.04822	25.8
269.04520	9.7
270.04819	11.8
273.03909	11.5
274.04236	29.3
278.06302	4.8
279.12354	28.6
280.58856	5.7
282.08423	17.2
286.04358	8.1
291.08408	8.4
298.07907	15.3
300.09488	9.6
310.07715	30.2
311.14850	65.9
314.11032	6.0
322.84906	5.4
328.08893	43.2
328.12485	11.2
346.06128	9.3
346.09995	100.0
346.13620	11.9
346.20349	11.7
347.10440	11.2
356.58875	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	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94799	0.7
53.03955	1.7
55.01859	3.2
57.03430	6.0
60.04521	12.3
61.02625	1.0
61.02916	10.2
61.83651	0.6
67.05478	1.9
68.54374	0.8
69.03419	16.7
70.06587	1.9
71.04967	2.9
71.77099	1.3
72.08138	3.0
73.02897	3.8
79.05473	4.5
81.03407	8.0
81.07043	2.7
82.06565	0.9
84.04491	1.2
84.08128	1.1
85.02895	100.0
86.03221	1.1
86.09702	4.2
87.04461	2.2
91.03944	5.8
91.05469	2.4
93.07047	3.1
95.08546	1.2
97.02885	24.5
99.04451	4.3
102.05579	0.9
103.05453	12.3
105.07028	1.5
107.04945	5.5
107.08588	1.7
108.08085	0.7
109.02879	6.8
110.06018	5.0
115.03911	0.9
118.06548	0.9
121.06493	80.9
121.10090	1.0
123.04456	1.2
124.07552	4.5
127.03909	24.5
131.04115	0.7
131.04875	4.2
137.02350	1.0
137.05995	1.0
138.09108	2.2
139.07541	2.5
145.04944	41.6
149.05975	6.1
155.57227	0.7
162.09116	0.8
163.06013	9.8
165.05522	1.1
166.08572	1.6
166.12296	2.7
167.07033	11.5
177.01788	1.1
178.04964	1.3
180.08667	2.1
184.09671	8.1
184.13359	1.4
185.08130	0.8
215.13977	0.7
247.10645	0.7
249.64795	0.8
287.05511	1.1
287.89398	0.7
300.12564	2.9
310.23642	0.9
328.24896	2.1
329.12003	1.7
346.13397	1.9
346.21991	1.4
346.25870	11.8
347.12366	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	345.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05507	6.8
56.38777	0.7
57.03424	1.7
57.07061	3.3
59.04989	1.2
61.89286	0.6
65.03919	0.9
67.05498	10.0
67.33714	0.8
69.03402	2.0
69.07059	18.5
69.27756	0.7
70.95322	2.0
70.97546	0.8
71.04981	1.5
78.05832	0.6
79.05489	4.0
81.07046	25.4
83.04987	1.6
83.08604	4.8
85.02876	0.9
85.06523	3.5
91.05462	3.6
93.07034	10.4
95.04967	1.0
95.08595	16.4
97.06498	2.9
97.10152	4.1
99.08089	1.2
100.62132	0.8
103.05449	1.3
105.03347	0.9
105.07009	5.0
107.08596	7.5
109.06516	1.1
109.10134	11.4
111.04429	0.9
111.08113	1.3
111.11705	4.8
117.07010	1.9
119.08562	3.8
121.06478	1.1
121.10130	6.0
123.04424	0.9
123.08076	0.8
123.11691	24.2
125.09574	2.0
125.13300	1.0
129.07007	1.0
131.04903	1.3
131.08568	1.8
133.10100	2.4
135.08052	1.2
135.11674	5.2
136.50653	0.7
137.05978	1.3
137.13248	3.9
139.03940	1.0
139.11194	0.8
145.06453	1.7
145.10106	1.2
147.11650	3.3
149.13257	3.6
151.14714	1.1
153.01839	1.4
153.12715	5.6
155.14307	2.6
159.08012	1.4
159.11670	0.8
159.21165	0.8
160.18259	0.7
161.13264	0.9
163.07578	1.4
163.14821	2.4
165.05464	0.8
165.06885	1.2
165.09152	1.3
165.12778	1.4
173.09712	1.1
173.11707	3.3
175.11174	1.5
175.14801	1.1
177.09117	1.7
179.08559	1.0
190.41393	0.8
191.06985	3.0
191.18085	0.8
195.13881	1.4
195.17551	0.9
199.09883	0.8
201.05424	1.3
203.03426	0.9
203.17874	1.2
205.03819	0.8
205.08589	7.7
210.06743	0.9
211.07417	1.2
213.14861	1.0
217.04927	3.0
217.19510	2.2
219.10190	1.0
223.09616	8.0
225.09058	1.5
229.04958	2.8
231.03044	1.1
235.07466	1.6
235.20581	1.9
243.02780	1.4
243.06494	1.0
243.10196	0.9
245.04466	13.0
246.04807	1.2
249.03856	0.9
253.08615	1.6
256.03549	1.0
257.04431	8.0
258.05136	0.7
260.03043	1.3
261.03958	4.4
261.25525	0.8
266.05722	5.2
269.04489	2.9
269.07858	0.7
270.09030	0.8
271.02310	0.8
271.16879	1.1
273.03903	38.0
273.25650	2.1
274.04391	4.1
275.20129	1.4
277.03424	0.9
279.26849	2.8
281.08063	19.1
281.11176	0.9
282.08383	2.4
285.03943	21.8
285.07507	3.4
285.10696	0.7
286.04388	2.3
287.05569	2.7
288.02203	3.1
289.02383	9.7
290.02750	1.1
291.26913	4.2
294.05243	3.1
295.09534	1.3
297.03851	1.7
298.04642	1.8
298.07843	0.8
299.05707	0.9
299.09058	2.6
309.07547	22.7
309.10980	1.6
309.24323	0.9
309.27872	2.5
310.07864	2.8
311.05402	3.0
312.06235	2.4
313.10593	5.2
314.11307	1.0
327.08578	48.5
327.19431	1.4
327.25259	2.4
328.08942	8.6
345.09650	100.0
345.13242	5.4
345.20447	8.5
345.26303	3.1
346.09955	10.8
346.13800	0.9
346.20758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
55.05485	1.2
57.03411	0.4
57.07053	0.9
58.83172	0.4
65.03913	0.4
67.05483	1.8
69.03403	1.5
69.07063	2.3
75.12279	0.4
79.05489	1.8
81.07043	2.4
83.01335	4.8
91.05473	2.9
93.06443	0.5
93.07033	8.1
94.07355	0.4
95.04946	0.8
95.08566	1.6
105.07026	1.3
107.08578	8.5
108.08886	0.5
109.06510	0.9
109.10127	2.7
113.05973	1.2
116.06184	0.4
116.39050	0.4
117.07024	0.7
119.08582	0.9
121.06486	4.8
121.10101	1.7
123.04436	0.4
123.08035	0.6
123.11687	7.4
127.18475	0.4
131.08568	2.6
133.06409	0.4
133.10101	0.7
135.08052	5.7
135.11674	10.1
136.11957	0.5
137.09564	0.5
145.06496	0.5
145.10132	0.5
147.07986	0.6
149.05916	1.4
149.09612	5.1
153.05429	1.9
159.08057	5.3
162.06718	5.9
163.07520	10.0
163.11234	0.6
165.09047	0.8
175.07417	0.4
176.08278	0.5
177.07553	0.9
177.09084	15.2
177.12642	0.5
178.09442	0.6
179.03365	0.5
181.08473	0.5
187.07521	4.3
187.11128	0.6
188.07780	0.4
189.09038	0.8
190.06236	0.9
191.06960	2.0
191.10684	1.2
192.07784	0.7
193.08589	1.7
199.11172	0.5
200.08366	0.6
201.09238	0.7
203.07040	0.8
203.10617	0.5
205.08574	68.3
206.08905	3.0
207.06639	0.4
211.07689	0.6
211.09598	3.7
215.10606	1.9
217.08574	0.4
219.10202	4.4
220.10063	0.4
221.08070	1.2
222.12068	0.5
223.09624	100.0
224.09926	4.0
229.08524	1.1
233.11800	0.8
237.11183	4.5
243.10136	5.0
243.13808	0.7
247.09758	0.5
259.13004	0.4
261.03836	0.5
261.11176	3.9
262.11694	0.6
263.12869	0.4
266.05753	0.5
271.13242	1.6
273.03967	1.7
275.12888	0.4
275.16321	0.9
281.08081	1.3
289.14203	3.2
297.04041	0.5
309.07452	1.4
327.08722	1.4
327.19498	6.1
345.09671	5.2
345.20523	45.1
346.10126	0.8
346.20886	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	345.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05507	1.8
57.03417	0.9
57.07051	1.6
67.05496	2.5
69.03407	1.5
69.07063	9.6
70.06565	0.6
71.04973	0.8
71.81154	0.6
79.05491	2.3
81.07052	3.6
83.01329	3.8
83.04939	0.6
83.08613	0.5
85.02891	0.5
85.06519	0.4
91.05464	3.4
92.05756	0.4
93.07028	7.6
95.04945	1.2
95.08588	2.5
105.07018	4.9
106.07339	0.4
107.04932	0.5
107.08580	7.9
109.06520	2.4
109.10150	3.4
111.08038	0.4
113.05959	1.4
117.06983	1.1
119.08584	2.1
121.06503	3.4
121.10110	3.1
123.04413	0.7
123.11702	6.5
128.06195	0.5
129.06989	0.7
131.08566	3.5
133.06468	0.9
133.10085	1.5
135.04361	0.4
135.08041	5.7
135.11679	8.8
137.05913	0.4
137.09584	3.0
139.03871	0.8
142.07687	0.5
143.08540	1.2
145.06483	0.6
145.10114	2.1
147.08012	1.1
147.11627	1.6
149.05966	1.0
149.09607	4.0
151.03874	0.4
151.07552	1.0
153.05431	1.2
157.10130	0.9
159.08037	4.4
159.11725	0.6
161.06015	0.8
161.09607	1.8
162.06741	4.6
163.07526	7.7
163.11121	0.8
165.09079	0.5
168.37314	0.4
171.08090	0.6
171.11568	0.4
173.09630	2.2
173.13197	0.4
175.07538	1.4
175.11105	0.9
176.08284	1.5
177.05594	0.6
177.09099	13.5
177.12622	0.4
178.09489	0.5
179.06961	0.7
181.08534	0.9
185.09464	0.5
185.13303	0.4
187.07538	4.3
188.08286	0.8
189.09085	3.5
189.12653	0.5
191.07043	2.5
191.10632	2.0
193.08542	1.3
201.09079	1.1
203.06990	0.9
203.10561	0.7
204.07741	0.5
205.08583	56.1
206.08974	2.5
207.10120	1.5
211.09579	2.8
211.11333	0.6
211.14984	0.4
213.12631	0.8
215.10680	1.3
216.07675	0.9
216.11363	0.5
217.08568	1.4
217.12239	0.6
219.10149	2.5
223.09627	100.0
224.09973	5.1
226.09940	0.5
227.14159	0.4
229.08569	1.3
229.12225	0.6
231.13762	2.4
235.07530	0.5
237.11182	1.2
241.08646	0.5
241.12311	1.9
243.09947	2.0
243.13838	1.7
244.10864	1.4
245.04463	1.7
249.11113	0.6
253.15904	0.5
257.04349	0.7
257.11722	1.0
259.13260	12.0
260.13577	0.9
261.03912	1.5
261.11099	2.2
263.12689	0.5
266.05740	0.8
271.13303	0.8
273.03885	6.6
274.04352	0.5
275.12772	2.3
275.16144	0.9
277.14325	34.4
278.14645	2.6
281.08057	3.5
281.19000	1.3
282.08167	0.4
283.20532	2.2
284.29504	1.0
285.03970	0.7
287.05386	0.8
289.14243	2.1
299.16476	1.1
299.19940	0.6
309.07587	3.6
309.18439	0.6
327.08646	4.9
327.15640	0.8
327.19397	4.3
328.08951	0.8
345.09665	13.6
345.20523	35.2
346.10074	1.9
346.20804	2.9
346.33090	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	345.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69808	0.2
53.03927	0.4
53.63451	0.2
55.01872	0.3
55.05497	0.9
57.03411	0.3
62.14991	0.2
63.48739	0.2
65.03929	0.3
67.05479	0.8
69.03405	0.9
69.07039	0.9
77.03904	0.3
79.05487	2.1
80.39032	0.2
81.07039	1.0
83.00864	0.3
83.01327	4.4
91.05468	3.3
93.07031	10.5
94.07331	0.2
95.04938	0.8
95.08590	0.2
98.20659	0.4
105.07022	1.5
107.04961	0.3
107.08580	13.0
109.06488	0.8
109.10123	1.3
111.49815	0.2
113.05984	0.7
115.05408	0.3
116.06200	0.4
117.06975	0.6
119.04918	0.2
119.06104	0.2
119.08575	1.0
121.06490	5.4
121.10100	1.2
123.08068	0.3
123.11690	2.8
131.08536	2.6
133.06422	0.2
133.10112	0.4
134.07243	0.2
135.07066	0.4
135.08043	5.5
135.11674	15.8
136.12006	0.5
137.05963	0.3
141.06950	0.2
145.06447	0.3
147.04425	0.3
149.05974	0.9
149.09599	5.0
151.07455	0.3
153.05438	2.8
159.08028	6.2
161.05948	0.7
161.09584	0.2
162.05406	0.4
162.06737	6.1
163.07518	9.7
164.07861	0.3
165.09068	0.7
175.07512	0.2
176.08310	0.3
177.09081	15.4
178.09439	0.6
181.08601	0.3
187.05840	0.2
187.07516	4.6
189.09024	0.2
190.06258	0.7
191.06989	0.4
191.10751	0.2
192.07846	0.3
193.08574	1.7
201.85771	0.2
204.07753	0.3
205.08572	70.6
206.08922	2.6
207.10298	0.2
211.09608	4.7
215.10678	0.3
219.10135	1.2
223.09618	100.0
224.09952	3.9
229.08678	0.3
237.11220	0.9
243.10217	0.7
261.11185	0.6
264.13025	0.2
271.13254	0.5
275.16385	0.3
281.74420	0.2
289.14294	0.8
327.19498	2.5
345.20547	17.6
346.20978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
55.01852	0.4
55.05504	1.6
57.03424	0.4
57.07066	0.3
58.05512	0.2
65.03920	0.2
67.05497	2.5
69.03417	2.1
69.07063	1.9
70.96531	0.7
71.04980	0.7
79.05480	3.1
81.03398	0.3
81.06605	0.4
81.07044	4.6
83.00861	0.3
83.01332	5.0
83.04967	0.3
83.08578	0.3
83.86680	0.2
85.02856	0.4
91.05466	3.5
93.07030	13.3
95.04955	1.7
95.08605	1.8
105.07015	2.0
107.04950	0.3
107.08578	9.3
108.08916	0.3
108.19530	0.2
109.06509	1.2
109.10143	4.2
111.04372	0.3
111.64271	0.2
113.05993	3.1
115.05423	0.4
117.06969	1.1
119.08566	1.2
121.06492	6.0
121.10132	1.6
122.06772	0.2
123.04433	0.3
123.08044	0.8
123.11691	2.5
125.05987	0.3
128.06213	0.3
129.06952	0.5
131.08557	2.9
133.06473	0.6
133.10101	0.7
135.08040	6.3
135.11674	13.1
137.05978	0.9
137.09592	0.3
139.07532	0.6
141.05415	0.7
142.61722	0.2
143.08580	0.3
145.06477	0.9
145.10133	1.5
146.07167	0.3
147.08069	0.6
149.05994	1.2
149.09587	5.4
151.07458	0.6
153.05482	1.4
153.06633	0.3
155.07132	0.3
155.08443	0.3
156.09410	0.2
157.06534	0.3
158.07201	0.3
159.08037	5.0
159.11671	0.2
160.08708	0.3
161.05949	0.7
162.06737	4.3
163.03958	0.3
163.07527	8.5
163.11197	1.1
165.05466	0.3
165.09108	1.4
167.07030	1.4
168.07404	0.3
169.08667	0.4
169.09984	0.3
173.09605	2.5
175.07562	1.5
175.11108	0.2
176.08281	3.8
177.05455	0.8
177.09084	15.7
177.12679	0.8
178.05986	0.3
178.09482	0.5
179.03323	0.2
179.06982	0.4
181.08582	1.2
186.06761	0.4
187.07504	3.9
187.11131	0.7
188.08141	0.3
189.09033	1.1
190.06256	0.6
191.07007	9.4
191.10643	7.1
192.07787	5.2
193.08580	4.4
194.09111	0.2
195.10107	0.6
197.09616	0.3
199.07674	0.3
200.08284	0.6
201.09079	3.3
201.12682	0.3
203.06990	0.7
203.10648	0.5
204.07782	1.5
205.08571	56.7
206.08908	2.5
210.10365	0.3
211.09610	4.7
211.11099	0.3
212.09857	0.3
213.09099	0.5
214.09862	0.3
215.07082	0.3
215.10640	2.9
215.14186	0.3
216.07782	0.5
217.08612	0.6
217.12256	0.5
218.09320	0.8
219.06671	0.7
219.10136	27.7
220.10416	1.0
223.09616	57.2
224.09975	2.4
225.09123	0.3
227.10674	0.5
228.07790	0.6
228.11395	0.4
229.08594	1.7
229.12175	0.9
230.09258	0.5
231.10112	1.0
233.11694	2.6
237.11183	29.7
238.11526	1.6
241.08470	0.4
241.12224	0.3
242.09264	0.4
243.10130	11.3
243.13731	1.6
244.10553	0.5
245.11723	1.2
246.09024	0.3
247.09587	1.0
247.13260	0.7
249.11122	0.5
251.12773	0.5
253.12125	0.5
255.10307	0.3
256.10904	0.7
257.11765	0.8
257.15213	0.4
259.13235	0.5
261.11182	19.5
262.11502	1.1
263.12775	0.7
265.14423	1.1
269.11597	0.4
271.13251	8.9
272.13611	0.3
275.12787	1.0
275.16382	2.7
277.14371	0.3
284.14166	0.3
285.14963	0.5
289.14297	22.4
290.14691	1.4
299.20041	0.3
303.15906	0.3
327.19504	15.8
328.19843	1.2
345.20547	100.0
346.20886	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	345.2055
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
53.03933	0.8
55.01844	0.6
55.05479	1.8
57.07057	1.0
67.05499	3.1
69.03393	1.8
69.07051	2.3
69.62597	4.7
71.04975	1.4
79.05461	2.3
81.07037	10.8
83.01332	4.2
83.04977	0.6
91.05460	3.1
92.34664	0.5
93.07030	12.5
95.04943	1.0
95.08588	2.8
96.55378	0.4
105.07002	2.2
107.08576	9.9
109.06458	1.0
109.10151	3.2
113.05986	2.2
115.05454	0.6
119.08564	1.2
119.49737	0.4
121.06501	6.2
121.10095	1.5
123.08036	1.2
123.11685	34.2
124.11986	0.9
129.06995	0.6
131.08557	3.0
133.09998	0.5
135.04410	0.5
135.08044	6.9
135.11676	11.4
136.11957	0.5
137.05963	0.8
141.05415	0.6
145.06430	0.8
145.10085	0.9
147.08015	0.5
149.05965	1.2
149.09576	5.0
151.07504	0.6
153.05441	2.6
159.08041	5.3
161.05977	1.1
162.06766	5.1
163.03874	3.1
163.07523	9.4
163.11128	0.8
165.05484	0.6
165.09019	0.8
167.07018	0.8
173.09557	1.6
175.07495	1.0
176.08267	2.1
177.05470	1.1
177.09076	16.6
177.12589	0.6
181.04927	1.3
181.08612	1.2
187.07518	4.8
187.11189	1.2
189.09033	0.8
190.06122	0.7
191.06999	6.3
191.10651	2.8
192.07750	4.0
193.08604	3.3
197.09558	0.8
201.09109	3.2
201.63298	0.5
203.07074	1.2
204.07826	0.7
205.08568	58.4
206.08867	3.3
211.09584	2.7
213.08971	0.7
215.10640	4.0
217.08641	0.9
217.12141	0.6
218.09309	0.9
219.10130	23.3
220.10509	1.1
223.09615	81.3
224.10001	3.8
228.07849	1.0
229.08571	3.5
231.10124	1.1
233.11624	2.8
237.11180	17.0
243.10133	11.6
243.12645	0.7
243.13870	1.2
245.11642	1.2
247.09608	2.1
249.11285	0.7
257.11688	1.1
259.13071	0.5
261.11185	16.0
262.11420	1.0
263.12802	0.6
265.14264	1.1
271.13263	3.8
275.13129	0.9
275.16336	7.6
289.14294	11.6
289.17426	0.6
290.14566	1.0
303.15762	0.7
327.19485	12.0
328.19928	0.8
331.27383	0.5
345.20535	100.0
346.13324	1.6
346.20880	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	345.2055
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
53.03933	0.5
53.17025	0.1
55.01860	0.3
55.05489	0.6
57.03426	0.3
57.07059	0.4
61.91785	0.2
67.05495	1.3
68.79803	0.2
69.03414	1.0
69.07057	1.6
69.28979	0.2
70.02280	0.9
71.04982	0.3
79.05477	1.6
81.06592	0.3
81.07047	4.0
83.00843	0.3
83.01330	4.4
91.05469	2.3
93.07029	7.2
95.04941	0.5
95.08579	1.0
105.07003	1.3
107.08578	7.9
108.08916	0.2
109.06499	0.7
109.10133	2.5
113.05968	0.8
115.05419	0.4
116.06199	0.3
117.06995	0.8
119.08554	0.9
121.06488	4.1
121.10134	1.1
123.08029	0.5
123.11696	11.3
124.11994	0.6
129.06987	0.3
131.08553	2.3
133.06480	0.3
133.10120	0.4
135.08041	5.7
135.11678	10.1
136.08459	0.2
136.12001	0.4
137.05957	0.4
141.06963	0.3
145.06476	0.4
145.10045	0.3
147.04391	0.3
147.07953	0.2
148.68817	0.2
149.05948	1.0
149.09593	5.0
151.07458	0.3
153.05426	1.8
159.08028	4.5
160.08353	0.2
161.05931	0.4
161.09673	0.2
162.06749	5.8
163.07524	8.6
164.07907	0.2
165.05458	0.4
165.09062	0.5
167.05965	0.2
173.09605	0.4
175.07498	0.5
176.08311	0.8
177.09088	15.1
178.09465	0.3
181.08588	0.4
184.64978	0.2
187.07523	4.1
187.11111	0.2
188.07887	0.2
189.09094	0.4
190.06236	0.6
191.07019	1.8
191.10596	1.0
192.07813	1.2
193.08601	1.3
195.10023	0.2
201.09077	0.8
204.07661	0.3
205.08577	67.5
206.08948	2.4
211.09634	2.6
211.11417	0.3
215.10728	0.6
217.08598	0.4
219.10141	3.8
223.09621	100.0
224.09966	4.0
227.10568	0.2
229.08527	1.4
229.12178	0.4
231.10068	0.3
233.11723	0.5
235.09653	0.3
237.11195	4.4
237.13608	0.3
243.10118	3.4
243.13795	0.4
245.11705	0.3
247.09601	0.8
247.13300	0.2
253.12054	0.2
257.11719	0.3
261.11203	4.0
262.11444	0.3
271.13245	2.0
275.12866	0.3
275.16306	0.8
288.16736	0.2
289.14270	4.7
289.17300	0.4
290.14774	0.2
318.92358	0.2
327.19501	4.4
328.19897	0.4
345.20541	39.0
346.20819	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2056
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
55.05490	0.9
57.03395	0.4
57.07053	0.9
67.05486	1.1
69.03413	1.1
69.07053	1.3
69.86929	2.3
69.95622	0.4
71.04975	0.3
75.37447	0.3
79.05483	1.3
81.07053	2.7
83.01321	4.0
91.03938	0.3
91.05465	2.3
93.07029	5.7
95.04949	0.4
95.08594	1.3
105.07024	1.5
107.04922	0.4
107.08575	6.1
109.06509	0.6
109.10125	1.9
117.07006	0.7
119.08573	0.6
121.06487	4.1
121.10118	1.1
123.04416	0.3
123.11691	5.7
123.12545	0.5
124.12033	0.4
131.08548	2.8
133.10046	0.5
135.08052	4.7
135.11665	8.9
136.11946	0.4
137.05978	0.3
137.09607	0.4
141.06898	0.3
142.39400	0.3
144.86331	0.3
147.04323	0.3
149.05971	0.8
149.09573	4.0
153.05431	1.5
154.05728	0.4
159.08037	4.6
161.05933	0.5
162.06737	5.2
163.07524	6.9
165.05440	0.9
165.09015	0.5
166.05733	1.2
167.05919	0.8
173.09566	0.5
175.07462	0.6
176.08293	0.5
177.09082	15.0
178.09415	0.4
179.07036	0.9
180.07335	2.0
181.07529	0.9
187.07506	4.2
187.11127	0.5
188.07918	0.4
189.09109	0.5
190.06198	0.4
191.07053	1.0
191.10739	0.6
192.07712	0.6
193.08557	1.3
195.10217	0.3
201.09113	0.5
203.06955	0.4
204.07452	0.4
205.08569	53.6
206.08890	2.7
211.09642	2.9
215.10645	0.6
219.10100	2.9
223.09615	100.0
224.09955	3.9
225.06293	0.3
228.88048	0.3
229.08551	0.6
231.10030	0.4
237.11197	3.2
243.10129	2.6
245.11647	0.4
247.09544	0.5
259.13284	0.5
261.11185	3.2
263.12628	0.4
271.13205	1.0
273.03992	0.9
275.16382	0.9
281.08014	0.5
288.16742	1.3
289.14209	2.5
289.17059	3.4
309.07681	0.3
327.08789	0.4
327.19510	4.1
328.19830	0.6
345.09558	1.7
345.20490	33.8
346.20908	2.3
363.82309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01852	0.2
55.05509	0.7
57.03412	0.4
66.64965	0.1
67.05498	0.9
69.03417	1.0
69.07065	1.0
71.04974	0.2
71.51428	0.2
71.51764	0.3
77.03928	0.1
79.05489	1.1
81.06602	0.2
81.07045	1.4
83.01326	5.4
83.04945	0.2
87.68438	0.1
89.65625	0.2
91.05468	2.5
93.07032	5.3
95.04957	0.7
95.08567	0.6
103.05432	0.1
104.40325	0.1
105.07008	0.9
107.04945	0.2
107.08580	6.6
109.06483	0.5
109.10144	1.4
113.05995	0.5
115.05416	0.4
116.06204	0.3
117.06966	1.0
119.08548	0.7
121.06491	4.8
121.10090	1.3
123.08028	0.4
123.11697	4.0
127.03781	0.2
128.06108	0.1
129.06964	0.4
131.08554	3.0
133.06490	0.3
133.10098	0.2
134.07268	0.2
134.84853	0.1
135.08035	6.4
135.11671	7.5
136.12013	0.2
137.05954	0.2
137.09624	0.1
145.06453	0.5
146.07240	0.2
146.16208	0.1
147.04378	0.3
149.06001	1.0
149.09595	5.4
151.07416	0.2
153.05457	1.5
159.08037	6.5
161.05930	0.5
161.09608	0.3
162.06744	7.1
163.07524	10.3
165.05463	0.3
165.09042	0.3
173.09549	0.2
175.07407	0.2
176.08231	0.2
177.09091	17.5
178.09453	0.2
181.08530	0.4
187.07513	5.5
187.11082	0.2
189.09109	0.4
190.06233	0.7
191.07031	0.6
191.10728	0.2
192.07704	0.2
193.08583	0.9
200.08279	0.1
201.09091	0.3
205.08572	77.5
206.08902	1.3
211.09613	2.4
215.10635	0.5
217.08583	0.2
217.12167	0.1
219.10138	0.8
223.09618	100.0
224.09967	1.6
229.08522	0.5
233.11606	0.2
237.11172	0.7
243.10143	1.5
245.11757	0.3
247.09618	0.3
261.11249	0.9
271.13239	0.3
275.16382	0.5
289.14294	0.6
296.97665	0.2
327.19485	1.7
331.85059	0.2
345.20547	18.9
346.20740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2054
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
54.48307	0.3
55.05509	0.9
57.07064	2.1
67.05487	3.1
69.07059	2.5
70.07406	0.4
70.27216	1.5
79.05489	1.4
81.07044	21.2
82.07383	0.6
83.00922	0.4
83.01317	2.2
91.05483	1.1
93.07027	3.4
95.08591	4.1
97.10123	0.4
105.07042	0.6
107.08572	4.1
109.06482	0.4
109.10119	1.0
110.10442	0.4
119.08552	0.6
121.06487	2.6
121.10175	1.1
123.11687	100.0
124.12041	3.2
131.08548	1.2
135.08028	2.8
135.11673	6.2
136.11980	0.5
149.05887	0.5
149.09627	2.6
153.05437	0.8
159.08035	2.3
161.05833	0.4
162.06761	2.3
163.07532	4.4
165.05464	1.1
166.05795	1.4
167.05971	1.0
167.34645	0.5
177.09099	8.1
187.07523	2.0
191.07069	0.6
192.07396	0.6
201.09062	1.5
203.06949	0.5
204.07332	0.5
205.08586	41.9
206.08905	1.4
211.07672	0.6
211.09602	0.9
215.10620	1.1
219.10176	0.9
221.11723	0.5
222.12141	0.5
223.09619	64.2
224.09981	1.9
229.08548	6.9
230.08780	0.5
231.10168	0.5
243.10091	3.5
245.11813	0.6
247.09621	4.2
248.09914	0.4
261.11298	2.1
271.13269	0.6
275.16351	0.5
288.16678	1.5
289.14221	0.7
289.17026	3.4
306.35681	0.4
327.19510	2.7
345.20422	88.8
346.20807	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	345.2055
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
50.16171	0.3
53.03933	0.3
53.16661	0.2
55.01861	0.3
55.05507	3.5
57.03411	0.3
57.07056	0.8
67.05495	2.8
69.03409	1.0
69.06693	0.4
69.07057	8.8
69.96989	1.4
70.07379	0.7
71.04995	1.4
79.05469	1.9
81.07043	6.1
83.01327	4.6
83.08611	0.8
91.05457	2.6
93.07029	8.2
95.04961	0.9
95.08594	1.8
97.10137	0.9
105.07007	1.9
107.04925	0.4
107.08578	9.3
109.02903	0.3
109.06521	0.9
109.10129	4.1
111.11695	1.0
113.06000	0.6
117.07001	0.7
119.08562	1.1
121.06493	4.7
121.10131	1.3
123.08044	1.0
123.11689	15.4
124.12014	0.5
128.06235	0.3
128.83728	0.3
129.06995	0.6
131.08543	2.6
133.10135	0.7
135.08043	5.9
135.11671	11.1
136.12050	0.4
137.05942	1.1
138.06296	0.3
139.07518	0.3
141.07031	0.3
143.53928	0.3
145.06435	0.4
147.04341	0.3
149.05952	1.1
149.09610	4.2
150.09940	0.3
151.07530	0.3
151.11063	0.3
153.05440	4.5
158.07362	0.3
159.08032	6.4
159.11652	0.3
161.06021	1.4
161.09586	0.7
162.06744	6.0
163.03879	0.6
163.07520	9.3
164.07767	0.3
165.05460	0.8
165.09074	0.7
166.05797	1.1
167.05962	0.6
172.08803	0.5
173.05894	0.4
173.09586	1.1
175.07513	0.9
176.08214	0.8
177.05652	0.6
177.09079	14.8
177.12730	0.8
178.06212	0.3
178.09482	0.4
181.08611	0.6
183.08029	0.7
185.09610	0.3
186.06770	0.4
187.07529	5.1
187.11133	0.9
189.05428	0.5
189.09064	3.3
190.06268	0.8
191.07014	3.4
191.10628	1.0
192.07727	1.0
193.08638	1.5
195.02753	0.3
197.09566	1.2
199.07600	0.6
200.08311	0.9
201.09074	2.7
203.06992	0.7
203.10634	1.1
204.07646	0.5
205.08571	71.5
206.08919	3.1
211.07639	0.6
211.09547	3.0
211.11319	0.4
213.08960	0.4
215.07147	0.4
215.10637	5.4
217.08640	2.6
217.12163	1.0
219.10138	3.5
221.08051	0.4
222.12071	0.3
223.09618	94.7
224.09970	3.1
225.09038	0.8
227.10728	0.6
228.07884	1.4
228.11371	0.4
229.08556	6.6
229.12305	1.0
230.09352	0.5
231.06392	0.4
231.10156	1.9
233.11604	0.6
235.09583	0.9
237.11153	2.2
241.08525	0.8
243.10141	17.2
243.13841	0.7
244.10564	0.9
245.11581	2.4
247.09604	3.6
249.11194	0.6
251.12776	0.4
256.10883	0.9
257.11694	2.0
257.15274	0.7
259.09607	0.3
259.13251	0.8
261.11197	8.1
262.11478	0.5
263.12814	1.9
271.13284	2.9
273.14926	0.5
275.12854	0.8
275.16364	3.3
284.14197	0.5
285.14740	1.4
288.16803	0.5
289.14288	3.4
289.17148	1.1
290.14560	0.4
299.19968	0.7
303.15854	0.7
327.19510	12.4
328.19760	0.5
345.20523	100.0
346.20844	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	345.2055
Annotation	Taiwaniaquinol D
Peak:m/z	Relative Intensity
53.03952	0.2
53.62244	0.2
54.93038	0.2
55.01875	0.5
55.05235	0.2
55.05499	3.6
57.03424	0.4
57.07056	0.4
57.23447	0.2
64.85886	0.2
67.05492	2.8
69.03415	1.2
69.07055	14.5
70.07384	0.5
70.09780	0.7
70.10199	0.4
71.04977	1.3
73.40041	0.2
79.05476	2.6
81.07039	3.4
83.01321	5.2
83.04958	0.2
83.08624	0.6
91.05458	2.9
91.52621	0.2
93.07025	8.9
95.04943	1.0
95.08611	1.6
97.10150	0.5
105.07011	2.4
107.04937	0.4
107.08574	10.0
108.08904	0.3
109.06499	1.1
109.10136	4.5
110.10469	0.2
111.11707	0.7
113.06002	1.1
115.05473	0.4
116.06200	0.4
117.07001	0.9
119.04921	0.3
119.08578	1.1
121.06483	5.1
121.10097	1.2
123.04394	0.2
123.08083	0.5
123.11681	4.9
124.12024	0.3
125.12379	0.2
128.06201	0.5
129.07001	0.5
131.08542	2.8
133.06474	0.3
133.10124	1.2
135.08031	5.0
135.11665	11.4
136.08359	0.2
136.12029	0.5
137.05948	0.9
137.09593	0.3
141.06967	0.4
142.07733	0.3
143.08562	1.1
145.06462	0.8
145.10097	0.6
145.24525	0.2
146.07205	0.3
147.04362	0.3
147.08035	0.6
147.11725	0.2
149.05956	1.2
149.09593	5.0
149.76949	0.2
151.07520	0.4
153.05441	1.5
154.07776	0.3
155.07056	0.3
155.08453	0.3
156.09399	0.2
157.10204	0.2
158.07193	0.3
159.08026	6.4
159.09331	0.4
159.11684	0.4
160.08612	0.3
161.05933	0.9
161.09592	2.2
162.06746	5.3
163.03885	0.3
163.07516	9.4
163.11185	0.3
164.04617	0.2
164.07928	0.4
165.05482	0.9
165.09128	1.2
166.05801	0.8
167.05981	0.5
169.10092	0.3
171.08031	0.5
172.08797	0.5
173.05994	0.2
173.09619	1.7
174.06757	0.5
175.07504	1.3
175.11092	0.3
176.08299	1.4
177.05606	1.4
177.09082	16.4
177.12689	0.6
178.05814	0.3
178.09438	0.6
179.07086	0.2
181.08621	0.6
182.07201	0.2
183.08014	0.3
184.08919	0.3
187.07497	4.9
187.11121	1.5
188.08160	0.3
189.05429	0.3
189.09076	9.6
190.06168	0.8
190.09450	0.4
191.07011	5.3
191.10635	1.1
192.07724	2.1
193.08577	1.8
197.09628	0.7
199.07536	0.7
199.11115	0.3
200.08284	1.1
201.09077	1.5
201.12798	0.3
203.06989	2.2
203.10651	1.3
204.07721	1.7
205.08565	76.9
206.08908	3.1
207.10155	3.5
211.09604	3.5
213.09041	0.6
214.06151	0.3
214.09830	0.4
215.07028	0.6
215.10635	2.8
216.07726	0.5
217.08562	4.3
217.12117	0.6
218.09190	0.7
219.06630	0.2
219.10162	4.5
220.10506	0.3
221.11681	0.7
222.12082	0.2
223.09608	96.4
224.09952	3.3
225.09158	0.3
225.12555	0.2
226.09898	0.3
227.06990	0.2
227.10562	0.5
228.07794	1.9
228.11258	0.4
229.08557	7.6
229.11949	1.0
230.09157	0.5
231.06494	0.8
231.10208	1.5
232.10426	0.3
233.11606	0.8
235.09587	3.9
237.11182	3.6
241.08583	0.8
241.12277	0.3
242.09390	0.9
243.10129	27.0
243.13614	0.9
244.10451	1.6
245.11713	1.5
247.09621	2.2
247.12111	0.2
247.13387	0.3
249.11069	0.4
251.12645	0.4
253.12166	0.3
255.10161	0.6
256.10907	1.9
257.11710	1.1
257.15292	0.5
259.13245	1.8
261.11182	15.1
262.11560	0.8
263.12814	1.4
265.14291	0.3
271.13251	2.4
272.13837	0.2
273.14679	0.3
274.15332	0.3
275.12729	1.0
275.16312	1.2
277.14355	1.4
285.14764	0.6
288.16699	0.5
289.14249	4.0
289.17093	1.3
290.14789	0.3
299.19852	0.2
303.15829	0.6
327.19479	7.8
328.19846	0.7
345.20477	100.0
346.20871	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	345.2056
Annotation	Taiwaniaquinol A
Peak:m/z	Relative Intensity
53.03929	0.4
55.05506	0.9
57.03416	0.2
57.74162	0.1
65.03937	0.2
67.05494	1.1
68.23483	0.1
69.03420	0.8
69.07062	1.4
70.99464	0.5
77.03880	0.2
79.05477	1.9
81.07047	1.5
83.00845	0.3
83.01328	4.4
88.30490	0.1
91.05468	3.1
93.07030	9.9
95.04949	0.7
95.08579	0.6
105.07006	1.7
107.04934	0.2
107.08578	10.7
108.08840	0.1
109.02896	0.2
109.06506	0.9
109.10142	2.8
111.11674	0.2
112.41963	0.2
113.05998	0.6
115.05421	0.3
115.88237	0.1
116.06187	0.3
117.06948	0.7
119.04940	0.2
119.08548	1.2
120.09397	0.2
121.06490	4.2
121.10103	1.1
123.08050	0.6
123.10855	0.2
123.11696	3.0
123.79004	0.1
129.06984	0.4
131.08536	2.4
133.06436	0.3
133.10112	0.3
135.08038	5.5
135.11674	13.9
136.11967	0.4
137.05974	0.2
137.09593	0.2
139.03882	0.2
139.07527	0.2
144.05663	0.3
145.06537	0.4
146.02373	0.2
146.07288	0.2
147.04359	0.4
147.07942	0.2
149.05943	1.0
149.08466	0.3
149.09601	4.9
149.10814	0.3
150.09952	0.2
153.05452	2.1
159.08043	5.0
160.08420	0.2
161.05983	0.4
162.06741	6.1
163.07520	8.9
165.05537	0.2
165.09077	0.4
175.07518	0.6
176.08286	0.2
177.09088	14.0
178.09409	0.3
181.08562	0.3
187.07515	4.2
188.07921	0.2
189.09093	0.6
190.06299	0.4
191.06993	0.4
191.10616	0.6
192.07773	0.5
193.08568	2.0
201.09079	0.3
205.08572	65.7
206.08925	1.8
207.10078	0.2
211.09616	4.6
212.10086	0.2
217.08650	0.2
219.10107	1.2
223.09616	100.0
224.09932	3.1
229.08543	0.5
231.10182	0.3
233.11621	0.2
235.09727	0.2
237.11163	1.4
243.10133	1.4
245.11803	0.2
247.09543	0.2
261.11243	1.2
271.13220	0.5
275.16422	0.6
289.14340	0.9
327.19522	3.5
328.19949	0.2
345.20535	25.7
346.20923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01863	0.3
55.05505	1.0
56.19662	0.1
57.03415	0.3
57.07051	0.3
65.03946	0.1
67.05495	1.2
69.03416	1.0
69.07054	1.7
69.80968	0.7
71.04967	0.3
74.09676	0.1
77.03904	0.1
79.05479	1.6
81.03388	0.1
81.07045	2.9
82.07329	0.1
83.01323	4.8
83.04942	0.1
85.02900	0.2
91.05463	2.7
93.07028	6.8
94.07366	0.2
95.04952	0.6
95.08591	1.0
105.07005	1.0
107.04949	0.4
107.08573	7.7
108.08878	0.1
109.02856	0.1
109.06522	0.7
109.10142	2.0
110.10422	0.1
111.11722	0.2
113.05962	0.5
115.05421	0.3
116.06203	0.2
117.07001	0.5
119.04901	0.2
119.08547	1.1
121.06486	5.4
121.10121	1.2
122.06828	0.1
123.04443	0.2
123.08088	0.6
123.11686	10.2
124.12039	0.3
125.06003	0.1
129.06955	0.3
131.08546	3.0
133.06470	0.4
133.10117	0.3
134.07262	0.3
135.04422	0.1
135.08035	5.7
135.11668	10.6
136.08357	0.1
136.12022	0.2
137.05975	0.4
137.09647	0.3
139.03839	0.1
141.05447	0.1
141.06935	0.2
143.08499	0.1
144.05695	0.2
145.06458	0.3
145.10083	0.1
146.07253	0.1
147.04378	0.3
147.08093	0.1
149.05965	1.0
149.09596	4.5
150.09918	0.1
151.07518	0.2
153.05440	2.9
153.06680	0.1
155.07024	0.1
158.07243	0.1
159.08031	5.9
160.08557	0.1
161.05952	0.5
161.09587	0.3
162.06732	6.0
163.07513	9.4
164.07899	0.2
165.05466	0.3
165.09058	0.5
166.05806	0.2
167.05940	0.1
173.09564	0.3
174.06691	0.1
175.07515	0.4
175.11151	0.1
176.08293	0.3
177.09084	16.1
178.09534	0.4
181.08527	0.5
187.07515	4.7
187.11086	0.1
188.08180	0.2
189.05508	0.1
189.09085	0.6
190.06186	0.7
191.07011	1.1
191.10561	0.6
192.07831	0.4
193.08577	1.3
196.51637	0.1
197.09630	0.1
201.09042	0.5
203.07027	0.2
203.10559	0.1
204.07652	0.2
205.08566	71.2
206.08899	2.1
207.10164	0.2
211.07764	0.1
211.09622	2.9
215.10678	0.8
217.08635	0.4
217.12242	0.2
219.10182	1.4
223.09612	100.0
224.09935	2.9
228.07793	0.2
229.08583	1.4
229.12115	0.1
230.09334	0.2
231.06482	0.1
231.10127	0.4
233.11659	0.3
235.09639	0.3
237.11182	1.7
241.08429	0.1
243.10146	3.0
243.13815	0.1
244.10594	0.2
245.11763	0.3
247.09622	0.6
249.11015	0.1
256.10837	0.2
257.11633	0.2
257.15298	0.2
259.13214	0.2
261.11188	2.2
262.11691	0.1
263.12729	0.1
271.13214	0.7
275.13126	0.1
275.16306	0.9
285.14899	0.2
289.14227	1.3
289.17050	0.2
303.15695	0.1
309.18457	0.2
327.19489	3.3
328.19727	0.2
345.20526	29.4
346.20889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
53.03372	0.2
53.03931	0.5
55.01855	0.2
55.05508	2.0
57.03426	0.5
57.07067	0.5
58.32731	0.2
58.53664	0.2
67.05492	2.6
69.03425	1.7
69.07064	1.4
69.77058	1.7
69.77402	0.3
71.04977	0.6
79.05483	2.7
81.07050	3.4
83.01331	3.8
83.04966	0.3
83.08591	0.7
85.06544	0.4
91.05464	3.8
91.91335	0.2
93.07033	14.6
94.07367	0.3
95.04951	1.6
95.08585	1.3
97.06488	0.2
97.10143	0.3
105.07008	1.6
107.04942	0.4
107.08581	8.7
109.06503	0.9
109.10145	3.8
111.04440	0.3
113.05996	3.1
115.05421	0.2
117.07034	0.7
119.04894	0.3
119.08567	1.3
121.06489	4.6
121.10107	1.1
123.04416	0.3
123.08080	1.0
123.11696	1.7
125.05984	0.3
125.09573	0.2
127.07628	0.3
129.06999	0.6
131.08546	2.0
133.06476	0.3
133.10109	0.6
135.08029	4.8
135.11676	11.2
136.11955	0.2
137.05940	1.1
137.09558	0.3
139.07530	0.5
141.05440	0.5
141.06964	0.2
142.07710	0.3
143.08553	0.3
145.06459	0.5
145.10114	1.2
147.04370	0.4
147.08003	0.4
149.05963	1.0
149.09592	4.0
151.07500	0.8
153.05486	1.2
153.06497	0.2
155.07059	0.2
155.08418	0.3
157.06502	0.3
158.07312	0.6
159.08043	3.6
159.11641	0.5
161.05984	0.6
161.09618	0.3
162.06754	3.4
163.07527	6.4
163.08878	0.4
163.11157	1.1
164.07849	0.2
165.05472	0.4
165.09129	1.2
167.06999	0.5
169.08653	0.5
169.10014	0.3
172.08862	0.4
173.09618	2.8
175.07529	1.6
175.08829	0.3
175.11234	0.3
176.08310	3.2
177.05515	0.8
177.09088	11.1
177.12643	1.1
178.06161	0.3
178.09389	0.3
179.07022	0.4
181.08588	0.7
183.08020	0.3
185.05977	0.5
186.06725	0.5
187.07510	4.2
187.11154	1.4
189.09131	0.9
190.06184	0.6
190.09840	0.6
191.07016	7.9
191.10648	5.9
192.07780	5.2
193.08583	4.7
195.06577	0.3
195.10104	0.5
197.09581	1.2
197.13245	0.4
199.07495	0.4
200.08298	1.5
201.09070	3.8
202.09572	0.3
203.07037	0.8
203.10704	0.6
204.07823	1.3
205.08578	45.9
206.08864	1.5
211.09601	3.4
211.11362	0.4
213.09062	0.3
215.07234	0.5
215.10658	8.0
215.14011	0.4
216.07935	0.4
216.11142	0.3
217.08562	0.4
217.12202	0.5
218.09386	1.1
219.06586	0.8
219.10133	21.8
220.10497	0.9
223.09624	37.5
224.09958	1.4
225.09067	1.2
225.12642	0.4
226.09763	0.2
227.10748	0.6
228.07806	1.4
228.11401	0.6
229.08611	1.7
229.12131	1.0
230.09328	0.5
231.10104	1.2
233.11690	6.3
237.11191	23.6
238.11562	0.9
241.08534	0.3
241.12106	0.3
241.40794	0.2
242.09378	0.3
243.10136	25.5
243.13649	1.3
244.10529	1.3
245.11774	1.2
246.08817	1.6
247.09627	0.9
247.13232	0.4
249.11166	0.8
251.12715	0.2
253.12245	0.3
256.10919	0.5
257.11746	0.9
259.13226	0.7
261.11194	32.2
262.11615	1.6
263.12726	0.9
265.14371	0.9
268.72632	0.2
269.11716	0.5
270.12466	0.2
271.13263	7.5
272.13800	0.3
275.12741	1.0
275.16422	1.5
284.13971	0.2
285.14920	0.9
289.14304	18.3
289.16885	0.8
290.14664	0.7
297.14771	0.2
299.20096	0.3
303.16043	0.5
312.16940	0.2
327.19513	16.1
328.19876	0.8
328.34406	0.2
345.20551	100.0
346.20901	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	345.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.08030	0.4
61.72309	0.3
63.26196	0.3
67.05477	1.0
67.88511	0.4
69.03414	0.7
69.07047	1.3
69.68618	3.4
71.62534	0.4
76.44710	0.4
79.05481	1.6
81.07040	1.7
83.01326	4.9
91.05447	2.0
93.07033	5.8
95.04958	0.6
95.08592	0.8
104.99268	3.0
105.06996	1.0
107.07903	0.6
107.08575	6.8
109.10136	1.0
111.35326	0.4
113.05990	0.5
117.07011	0.8
119.08594	0.9
121.06472	4.2
121.10110	1.0
123.11697	6.5
124.11971	0.3
131.08560	2.4
133.06500	0.4
134.85455	0.4
135.08034	5.4
135.11664	7.8
145.06473	0.7
149.05937	0.9
149.09596	5.7
152.23216	0.3
153.05469	1.4
155.07053	0.4
159.08037	5.6
161.05971	0.6
162.06747	6.2
163.07526	8.3
165.09099	0.4
177.09091	15.5
178.09383	0.4
187.07518	5.1
187.11081	0.4
189.08942	0.5
191.07050	1.0
192.07793	0.6
193.08585	1.3
205.08582	64.4
206.08961	2.5
211.09607	2.7
217.08510	0.4
219.10150	2.3
223.09625	100.0
224.10004	3.3
229.08507	0.5
233.11470	0.5
237.11237	1.6
243.10175	3.1
247.09598	0.5
261.11215	1.9
262.98273	1.8
280.11044	0.4
289.14288	1.2
308.64148	0.4
327.19553	2.9
345.09653	0.6
345.20529	25.1
346.20819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
53.03927	0.6
55.01857	0.3
55.05499	2.1
57.03412	0.5
57.07063	0.6
57.91937	0.2
65.03921	0.2
65.92028	0.2
67.05491	2.6
69.03419	2.1
69.07043	1.8
70.78522	0.7
71.04967	0.9
77.03921	0.4
79.05474	3.5
81.07042	4.1
82.74213	0.2
83.01320	5.7
83.04945	0.3
83.08595	0.6
85.06524	0.5
91.05461	5.8
93.07026	16.4
94.07356	0.4
95.04940	1.3
95.08583	1.9
97.06444	0.3
97.10164	0.3
105.04533	0.3
105.07005	2.3
107.04929	0.7
107.08574	12.1
108.08887	0.3
109.06483	1.3
109.10133	3.9
113.05991	3.7
115.05434	0.4
117.06998	1.3
119.04884	0.5
119.08580	1.5
121.06483	8.5
121.10128	1.6
123.04395	0.5
123.08060	1.1
123.11682	2.7
125.05959	0.5
129.06970	0.4
131.08548	3.2
132.08830	0.2
133.06424	0.3
133.10097	0.7
135.08034	7.7
135.11665	16.0
136.11951	0.6
136.98686	0.2
137.05968	0.9
137.09567	0.3
139.03931	0.4
139.07504	0.5
141.05356	0.3
143.08478	0.4
144.05740	0.3
145.06464	0.7
145.10043	1.5
146.07248	0.3
147.04338	0.4
147.07967	0.5
147.11620	0.3
149.05925	1.6
149.09590	6.1
151.07510	0.9
153.05440	2.0
155.06978	0.3
155.08569	0.4
158.07220	0.6
159.06738	0.4
159.08032	6.6
159.11705	0.5
160.08592	0.4
161.05975	0.5
161.09633	0.3
162.06744	5.5
163.07521	9.8
163.11145	0.8
165.05455	0.5
165.09103	1.3
165.10297	0.2
165.44691	0.2
167.07085	0.5
169.08589	0.7
169.09978	0.4
173.09595	2.9
174.06799	0.4
175.07567	1.1
175.11110	0.3
176.08302	3.5
177.05441	0.9
177.09079	17.8
177.12529	1.4
178.09407	0.9
179.07014	0.6
180.07289	0.3
181.08643	1.2
185.09557	0.4
187.07483	4.4
187.11134	1.1
188.08018	0.3
189.09056	0.7
190.06273	0.9
190.09706	0.3
191.06999	8.2
191.10637	8.0
191.12411	0.3
192.07780	4.4
193.08562	4.5
193.10182	0.4
195.10101	0.7
197.09647	0.3
199.11116	0.3
200.08208	0.4
201.09094	2.5
203.07016	0.7
203.10664	0.5
204.07793	1.6
205.08566	68.9
206.08905	3.1
211.07626	0.2
211.09587	6.2
213.09100	0.3
215.07010	0.4
215.10626	2.9
215.14265	0.5
216.07782	0.4
217.08641	0.5
217.12143	0.5
218.09329	0.6
219.10129	26.0
220.10480	1.2
223.09608	79.8
224.09964	2.9
225.09023	0.4
225.12659	0.3
227.10568	0.3
228.07729	0.7
228.11369	0.7
229.08542	1.7
229.12158	0.7
230.09358	0.6
231.10085	1.0
232.10724	0.3
233.11729	2.4
237.11169	28.2
238.11476	0.8
243.10123	12.3
243.13721	1.5
244.10513	0.5
245.11696	1.1
246.08771	0.5
247.09581	1.0
247.13306	0.7
249.11217	0.4
251.12744	0.4
253.12332	0.5
256.10977	0.6
257.11755	1.1
258.12500	0.3
259.13409	0.6
261.11185	19.4
262.11475	1.1
263.12769	0.7
265.14252	1.1
269.11780	0.5
271.13229	7.7
272.13684	0.4
275.12805	0.8
275.16415	1.9
281.08267	0.4
283.13147	0.3
285.14670	0.5
287.16544	0.3
288.16553	0.6
289.14270	20.4
289.16992	1.7
290.14688	1.5
299.19986	0.5
303.15851	0.4
309.07843	0.3
327.19482	14.9
328.19855	1.0
329.19464	0.3
345.20523	100.0
346.20865	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2056
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
51.16518	0.3
53.03928	0.5
55.01856	0.3
55.05498	1.7
57.03421	0.4
67.05490	3.2
69.03415	1.9
69.07063	1.9
69.80396	1.7
69.80827	0.8
71.04965	0.6
79.05478	3.4
81.07038	4.4
83.01326	5.0
83.04952	0.5
83.08583	0.5
89.17382	0.3
91.05466	4.2
91.70187	0.3
93.07029	16.0
94.07346	0.4
95.04944	1.6
95.08590	2.0
105.02384	0.3
105.07005	1.9
107.04918	0.5
107.08571	10.7
109.06499	0.9
109.10136	5.0
113.05278	0.3
113.05994	3.7
116.06205	0.3
117.07002	0.9
119.06032	0.4
119.08555	1.5
121.06480	6.8
121.10107	1.4
122.06818	0.4
122.23102	0.3
123.08037	1.0
123.11693	2.4
125.05904	0.4
129.06953	0.6
131.08565	2.6
133.06456	0.4
133.10068	0.7
135.08040	6.3
135.11671	13.5
136.08334	0.3
137.05930	1.1
139.03821	0.3
139.07497	0.4
141.05446	0.4
141.06960	0.3
145.06458	0.9
145.10095	1.8
147.04396	0.6
149.05949	1.5
149.09598	4.7
151.07533	0.9
153.05434	1.1
155.07021	0.3
155.08459	0.4
158.07213	0.6
159.08028	5.3
159.11603	0.4
161.05975	0.6
161.09541	0.3
162.06744	4.6
163.07513	9.1
163.11165	1.4
165.09030	1.4
167.07101	0.6
167.08372	0.3
169.08563	0.7
173.09619	3.0
175.07545	1.9
175.11061	0.4
176.08290	4.3
177.05496	1.0
177.09091	16.1
177.12660	0.8
178.06241	0.3
179.07083	0.4
181.08575	1.2
183.08113	0.4
186.06703	0.4
187.07507	4.3
187.11136	1.2
189.09088	0.7
190.06206	0.7
191.07016	8.8
191.10631	7.7
192.07794	4.8
193.08589	5.2
195.10150	0.9
197.09621	0.4
201.09062	3.0
201.12675	0.3
203.06989	0.4
203.10715	0.7
204.07770	1.4
205.08568	61.7
206.08925	1.5
211.09589	5.2
211.11359	0.5
213.09116	0.8
215.06982	0.4
215.10660	2.7
216.07755	0.4
217.08543	0.9
217.12059	0.4
218.09375	0.9
219.10132	28.3
220.10414	0.8
223.09616	55.3
224.09914	1.7
225.09146	0.3
227.10625	0.3
228.07735	0.9
228.11311	0.6
229.08563	2.2
229.12183	1.3
230.09288	0.9
231.10150	1.4
233.11676	2.1
237.11174	30.5
238.11537	0.9
243.10129	10.2
243.13705	1.4
244.10710	0.5
245.11769	1.3
247.09633	0.8
247.13229	0.3
249.11293	0.6
251.12726	0.5
253.12193	0.6
256.10904	0.4
257.11688	0.9
259.13229	1.1
261.11191	20.6
262.11557	0.8
263.12830	0.6
265.14282	0.9
271.13226	8.4
272.13672	0.4
275.12677	1.0
275.16351	1.0
283.13358	0.3
285.14798	1.1
289.14301	22.7
290.14716	1.1
303.15912	0.4
323.14502	0.3
327.19489	15.7
328.19803	0.9
331.30682	0.3
345.20544	100.0
346.20844	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26580	0.7
60.97812	0.6
61.46877	0.7
62.71517	0.6
67.05486	0.9
69.03428	1.1
70.06540	0.7
71.04987	0.7
79.05484	2.7
81.07033	2.3
85.02901	1.6
91.05457	3.5
93.07027	2.1
94.04169	3.8
97.06524	1.0
103.05453	9.1
105.06999	4.9
107.04924	1.1
107.08560	2.0
109.06509	1.2
109.10169	1.1
111.42766	0.8
115.05408	1.1
117.06980	1.8
119.04921	1.0
121.06459	3.5
121.10132	2.6
122.03626	10.3
123.04449	1.1
123.08022	0.9
123.11662	1.1
125.09560	0.9
131.04901	11.8
133.06474	19.2
135.08029	7.5
135.11716	1.4
137.05960	100.0
138.06282	2.3
145.06496	4.1
147.08058	1.8
149.05978	1.0
151.03914	0.9
151.07518	6.4
157.06519	1.4
159.08031	1.0
163.07520	35.3
165.09161	2.0
165.12755	1.0
171.08032	1.2
173.06047	0.8
175.07549	2.2
177.09088	1.6
183.06516	1.4
183.10168	2.1
183.13782	1.1
187.07530	0.9
189.09042	2.0
191.06931	1.3
193.12115	0.9
193.84448	0.8
203.10712	1.1
205.08646	4.0
218.71707	0.8
220.27443	0.8
223.09616	6.9
245.04382	2.2
257.04437	1.9
263.10721	1.0
273.03922	3.1
281.08228	0.8
285.07739	1.2
285.11136	0.9
295.10028	1.0
295.13126	3.5
309.07590	0.9
313.10608	1.5
327.08743	2.0
327.15833	1.2
345.05984	1.2
345.09708	7.0
345.13480	1.3
345.20551	4.4
346.09830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Hyperguinone B
Peak:m/z	Relative Intensity
51.04677	0.2
51.18436	0.2
53.03940	0.4
55.01839	0.2
55.05505	1.1
57.03423	0.3
67.05489	2.2
69.03403	1.3
69.07049	1.5
70.35871	1.0
70.36246	0.4
70.46198	0.2
71.04971	0.6
76.74084	0.3
79.05482	2.6
81.07049	2.9
83.01325	3.4
83.08586	0.7
91.05454	3.4
93.07030	11.8
95.04946	1.2
95.08592	1.5
105.07005	1.5
107.04929	0.3
107.08578	8.4
109.06471	0.7
109.10128	4.1
113.05984	2.3
115.05466	0.3
117.06979	0.6
119.08550	1.3
121.06485	4.7
121.10112	1.2
123.08041	0.8
123.11681	2.2
129.06947	0.3
131.08553	1.9
133.06487	0.4
133.10117	0.5
135.08038	4.4
135.11670	9.9
136.08398	0.3
137.05937	0.7
139.03860	0.3
139.07492	0.5
141.16698	0.2
143.08549	0.3
145.06490	0.4
145.10156	1.1
147.08061	0.3
149.05965	0.9
149.09605	3.7
151.07500	0.5
153.05438	1.2
155.08615	0.2
157.09941	0.3
158.07266	0.3
159.08029	4.0
159.11629	0.4
161.05946	0.6
162.06732	4.1
163.07518	6.6
163.11128	0.7
165.05399	0.4
165.09114	1.1
167.07014	0.6
169.08496	0.3
173.09627	1.6
175.07561	1.1
175.11087	0.3
176.08284	2.4
177.05441	0.7
177.09081	11.9
177.12730	0.8
178.06316	0.3
178.09413	0.4
181.08556	0.9
182.08907	0.2
185.05922	0.3
186.06783	0.4
187.07530	3.5
187.11127	0.9
189.09074	0.7
190.06242	0.5
191.07007	6.7
191.10631	3.9
192.07744	3.3
193.08601	3.2
197.09573	0.9
199.07564	0.2
200.08368	1.2
201.09091	2.1
203.07010	0.5
203.10583	0.6
204.07774	1.0
205.08571	49.5
206.08888	1.9
211.09616	4.0
211.11411	0.4
213.09076	0.3
214.09737	0.4
215.07118	0.4
215.10640	5.5
216.07779	0.4
217.08652	0.4
217.12054	0.3
218.09337	0.6
219.10139	16.1
220.10510	0.6
223.09615	52.9
224.09923	2.1
225.09097	0.9
225.12669	0.4
227.10629	0.3
228.07811	1.2
228.11426	0.3
229.08583	1.4
229.12181	0.7
230.09363	0.5
231.10167	1.2
233.11676	3.9
237.11179	19.9
238.11520	0.9
242.09297	0.3
243.10132	17.0
243.13844	1.0
244.10472	1.0
245.11659	0.8
246.08885	1.3
247.09669	0.6
247.13309	0.7
249.11166	0.6
251.12740	0.6
253.12230	0.3
256.10941	0.6
257.11682	0.9
259.13223	0.5
261.11185	24.7
262.11606	1.3
263.12787	0.5
265.14319	0.9
269.11819	0.4
271.13239	5.3
272.13461	0.4
275.12817	0.9
275.16422	1.4
285.14700	0.4
289.14288	15.3
290.14664	0.9
303.15796	0.4
327.19501	14.4
328.19873	1.1
345.20541	100.0
346.20929	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	345.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.19337	0.7
55.01838	0.8
56.55142	0.6
56.96541	0.6
57.03420	2.0
58.03748	0.7
59.14233	0.7
61.02910	2.9
65.03931	0.9
68.18391	0.7
69.03419	7.0
69.64617	5.7
69.65681	0.6
70.03752	1.5
71.04985	1.0
71.91869	0.7
72.08137	1.3
73.02906	1.7
73.82314	0.7
74.41332	0.6
79.05469	0.8
80.07010	0.8
81.03425	1.8
81.07068	0.9
85.02895	25.3
86.03228	7.3
86.09686	1.9
91.05472	4.5
92.05795	3.1
97.02883	6.4
98.03196	2.3
98.20731	1.3
98.97556	1.2
109.02838	1.2
110.03199	0.8
110.07127	0.9
117.09086	0.8
118.09364	0.9
119.04155	1.3
119.04928	15.2
119.08553	1.3
120.05256	14.0
123.04424	3.5
123.08041	0.9
123.11691	1.2
124.04750	2.0
127.03874	3.6
128.04248	2.4
139.61942	0.7
145.04982	4.1
146.05298	2.0
147.03191	1.5
147.04391	77.5
148.04726	100.0
149.04976	2.0
149.05991	2.5
150.05486	2.8
163.06009	0.7
165.05466	45.8
166.05795	60.4
167.06032	1.4
177.09117	1.3
180.08682	1.8
181.08949	1.9
182.08142	0.7
183.08502	0.7
191.07065	1.2
195.08014	0.9
205.08647	2.9
223.09642	5.7
235.19829	0.8
241.23442	0.7
241.37930	0.7
248.03143	1.0
261.11096	0.9
269.67950	0.7
283.09656	0.9
299.09283	1.0
300.12186	1.0
310.10016	1.2
313.10544	1.7
341.68677	0.8
345.13651	3.6
345.20352	3.4
346.10510	1.6
365.05508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
55.01847	0.7
56.96556	2.6
57.03420	1.5
57.68615	0.5
59.04989	0.6
61.02915	2.3
69.03107	0.5
69.03413	6.5
69.07034	0.7
70.06564	0.8
70.20178	2.6
71.04972	0.9
72.08122	1.1
73.02885	2.0
80.04964	0.6
81.03379	1.6
82.06525	1.3
83.04945	0.4
84.08114	0.6
85.02398	0.8
85.02882	10.9
86.03204	0.7
86.09688	1.5
87.04433	1.7
89.03909	1.3
91.03920	0.8
91.05456	1.2
92.04964	1.3
95.04910	0.7
97.02856	3.7
98.97576	2.4
99.04436	1.1
107.04931	1.3
107.08575	1.1
109.02864	1.4
109.07612	0.7
110.06021	0.9
116.98558	1.6
117.03351	1.4
118.06520	0.7
119.06049	18.4
120.04441	4.8
120.08064	0.8
123.04391	1.0
123.11702	1.2
127.03848	1.7
128.98610	1.0
134.99620	0.8
135.04410	3.1
136.07544	1.0
137.06024	1.0
137.07050	5.4
138.05490	0.7
143.00150	1.0
145.02812	1.2
145.04973	1.2
146.99620	0.5
147.04364	3.1
147.05515	5.7
148.03746	2.5
148.06291	25.2
149.07076	20.6
149.09618	0.9
151.03894	0.6
159.08034	0.6
161.01213	0.8
163.02501	0.7
163.03870	13.7
163.05179	1.0
164.04198	1.9
164.05580	0.6
165.06570	85.6
166.07294	5.7
170.60974	0.5
177.00710	0.9
177.09094	1.1
182.08055	0.8
183.07620	53.3
184.07903	1.2
185.01126	0.9
189.00694	1.2
205.08553	4.0
208.95685	0.6
219.01755	1.7
223.09616	5.7
234.14607	0.5
235.69707	0.5
237.02760	2.1
237.38385	0.5
261.11481	0.7
300.12134	0.6
328.11932	0.7
335.10007	1.0
345.12878	100.0
345.20377	2.7
346.13135	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	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01868	0.5
55.05513	2.0
55.28438	0.4
57.03427	1.0
57.07066	0.7
59.04995	0.8
62.77670	0.3
65.03946	0.6
67.05491	1.7
68.99799	0.7
69.03416	1.4
69.07065	2.7
70.83799	1.3
71.04965	0.5
79.05481	3.1
81.07048	2.4
83.01328	4.2
83.04967	0.6
83.08590	0.4
85.02892	0.5
86.09709	0.4
88.07616	0.5
91.05466	4.4
93.07035	9.9
94.07365	0.4
95.04959	1.6
95.08599	1.5
97.06543	0.5
103.05461	0.4
105.07025	4.3
107.04923	0.5
107.08575	11.8
108.08974	0.4
109.06480	1.0
109.10139	4.2
111.04417	2.1
111.08115	0.4
112.01555	0.4
113.05992	1.2
115.05433	1.0
116.06231	0.5
117.06989	1.5
119.04871	0.6
119.08609	1.8
121.06460	3.2
121.10147	2.3
123.04414	0.9
123.08075	0.8
123.11710	2.7
125.05967	3.4
127.03906	8.8
128.06175	0.4
129.06972	1.1
131.08577	3.4
133.06462	0.6
133.10088	0.9
135.04408	0.6
135.08049	5.7
135.11682	13.6
137.05974	2.8
137.09619	1.4
139.03874	2.7
139.07504	0.6
140.04691	0.5
143.08530	0.5
144.05678	0.5
145.06494	1.3
145.10092	1.6
147.04340	0.5
147.08014	1.2
147.11688	0.5
149.05966	1.3
149.09608	5.0
151.03812	0.4
153.05455	4.5
155.02202	0.7
155.03374	8.7
157.06432	0.4
158.07230	0.5
159.08041	6.8
160.05177	1.1
161.05974	1.0
161.09615	1.2
162.06737	6.3
163.03862	0.5
163.07527	9.3
163.11169	1.1
164.04596	0.6
165.05431	0.7
165.09096	2.2
166.05783	0.5
171.08025	0.8
172.08778	0.5
173.05986	0.7
173.09584	1.0
174.06725	0.5
175.03957	0.4
175.07529	7.8
175.11131	0.4
176.08215	0.9
177.05568	0.9
177.09096	15.7
179.07040	0.4
181.08615	0.9
181.10181	0.4
185.09625	0.6
187.07532	6.4
187.11189	0.6
189.09094	1.7
190.06281	0.4
190.09813	2.3
191.07042	1.9
191.10638	4.4
192.07838	0.5
193.08582	10.0
193.10233	0.8
194.08852	0.7
198.06790	0.5
199.07535	1.2
200.08221	0.4
201.09122	0.9
203.06958	0.7
205.08577	70.5
205.99162	0.4
206.08891	1.3
207.06508	0.7
207.10106	0.5
211.09581	4.2
211.11185	0.5
213.09160	1.0
215.07053	0.5
215.10663	1.4
218.05798	0.5
219.10129	1.6
223.09627	100.0
224.09926	1.5
227.07011	0.8
229.04950	1.5
229.08543	0.5
231.10365	0.5
237.11160	2.2
241.08485	0.8
243.06551	0.9
243.10100	2.7
243.13829	0.5
245.04526	2.1
251.12602	0.4
253.08644	0.7
257.04398	0.6
257.07983	0.7
259.02515	0.5
261.03934	1.1
261.07477	0.7
261.11160	2.1
266.05655	0.6
267.06445	0.8
269.04504	0.4
269.08060	2.6
271.13318	0.6
271.20242	0.5
273.03937	5.8
273.07144	0.7
274.04648	2.8
281.08032	3.3
282.08472	0.5
283.20404	0.8
284.10324	1.4
285.03876	1.4
287.05545	0.5
289.07004	3.8
289.14410	1.9
299.12756	39.4
300.13177	3.2
309.07599	3.2
317.13901	0.5
327.08539	4.4
327.12222	9.5
327.15955	1.0
327.19312	4.4
328.09024	0.6
328.12567	0.7
345.05704	0.8
345.09705	11.1
345.13358	2.4
345.17392	1.4
345.20511	30.4
346.09833	1.6
346.20822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0964
Annotation	Hyperxanthone A
Peak:m/z	Relative Intensity
52.72599	0.5
64.38960	0.7
67.05957	0.5
68.99783	0.8
71.01633	1.5
73.52530	0.4
74.74110	0.5
147.40334	0.6
153.84944	0.5
177.01857	0.5
198.34865	0.5
201.05406	1.3
215.03372	0.7
217.04863	1.2
223.82188	0.5
228.04156	1.2
229.04938	4.4
235.07416	0.9
239.03294	1.7
243.02965	0.8
245.04358	2.8
256.03665	2.2
257.04419	15.4
260.03134	1.8
263.06866	1.0
266.05695	2.5
269.04382	1.3
273.03949	3.5
281.08035	6.4
285.03900	76.5
286.04288	2.0
294.05188	1.5
297.03970	1.8
299.05472	0.8
299.08948	1.4
309.07547	5.8
311.05450	3.9
312.06186	2.9
327.08582	100.0
328.08969	4.1
345.09641	57.9
346.10059	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	345.0966
Annotation	FR 901235
Peak:m/z	Relative Intensity
53.97644	0.3
59.04996	15.1
69.07063	0.3
70.27811	1.5
81.17264	0.3
90.64167	0.3
93.07024	0.5
95.08585	0.3
111.04427	0.4
121.10059	0.4
123.11720	0.3
137.05959	0.3
138.88066	0.2
139.03899	0.4
149.07489	0.3
157.06435	0.4
174.06999	0.3
185.06010	0.8
191.07053	0.7
194.07132	0.3
205.08568	1.0
213.05446	1.7
223.03946	0.5
223.09668	1.2
233.31616	0.3
241.04947	12.7
242.05223	0.6
245.04495	1.0
252.04208	0.4
257.04367	0.6
261.04016	0.8
266.05566	0.4
268.03464	0.3
269.04422	100.0
270.04764	4.1
273.03903	2.9
281.08142	1.6
285.04010	0.5
287.05716	0.3
299.09064	0.9
309.07556	2.5
312.69012	0.3
313.10574	0.6
315.04993	0.3
327.08560	3.3
327.12396	0.7
345.09680	6.0
345.13382	1.1
345.20474	0.7
346.10205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	hyperxanthone C
Peak:m/z	Relative Intensity
53.68182	0.4
54.58532	0.3
54.98462	0.3
57.70987	0.4
62.92118	0.3
63.91822	0.4
68.99784	0.5
69.77528	3.1
78.00369	0.3
87.91387	0.4
91.05433	0.4
98.20709	0.8
101.34770	0.3
116.55985	0.4
122.57523	0.4
153.01761	0.4
177.09019	0.4
187.03864	0.7
192.03726	0.5
193.03920	0.5
203.03358	2.2
205.08565	0.6
215.03349	0.6
217.04970	0.6
223.09659	0.9
229.05103	0.7
241.04973	0.9
244.03729	0.4
245.04407	5.5
247.02258	0.4
253.08562	0.8
257.04422	10.0
261.03900	1.8
266.05621	1.0
269.04398	5.5
269.07257	0.6
271.02332	35.0
272.02686	1.1
273.03894	100.0
274.04251	3.3
281.08060	5.7
282.08023	0.4
285.03891	1.9
285.07007	0.6
289.03546	0.9
294.05075	0.9
299.09116	4.6
309.07523	5.9
312.06143	0.5
313.10498	0.7
327.08612	10.6
327.12268	1.2
345.09622	36.0
346.09933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0964
Annotation	hyperxanthone C
Peak:m/z	Relative Intensity
55.05481	0.3
57.07050	0.3
59.04996	1.2
61.74757	0.2
65.03906	0.2
67.05468	0.5
68.99774	0.7
69.03411	0.3
70.90656	0.3
70.90992	0.3
71.04957	0.2
79.05439	0.3
81.07000	0.4
81.58137	0.2
85.06506	0.7
91.05462	0.4
93.07026	0.3
94.04165	0.2
95.08630	0.2
101.66854	0.2
103.05418	0.6
105.06956	0.2
107.08501	0.2
109.06482	0.3
111.00739	0.2
119.04874	0.2
121.06485	0.2
121.10133	0.2
122.03571	0.4
123.04388	0.3
129.06952	0.5
131.04868	0.5
133.06483	1.1
135.08072	0.4
137.02281	0.2
137.04967	0.3
137.05956	4.9
145.06508	0.3
147.04344	0.3
151.07520	0.2
153.01752	1.0
155.08525	0.4
157.06468	0.2
161.05949	0.3
163.07523	1.3
165.05440	0.5
169.06374	0.2
171.07970	0.2
173.06007	0.4
175.03889	0.3
177.05344	0.3
183.06497	1.0
183.07909	0.3
185.09610	0.4
187.03854	1.0
189.05383	0.3
191.06956	0.3
193.04926	0.4
195.08018	0.2
197.05968	0.6
199.03734	0.2
201.05377	0.5
205.04808	0.2
207.08076	0.4
210.06708	0.3
211.07501	0.4
213.05402	0.2
215.03368	0.5
216.04117	0.4
217.04933	3.3
221.50452	0.2
223.02307	0.5
225.05440	0.3
225.09161	0.2
225.14679	0.2
227.03391	0.2
228.04039	0.4
229.04904	2.0
231.02774	0.9
231.06444	0.5
235.07523	1.6
238.06212	0.6
239.06895	0.3
241.04852	0.5
241.08409	0.3
242.05557	0.3
243.02858	1.6
244.03683	0.4
245.04417	15.5
246.04686	0.5
252.04193	0.2
253.04955	0.4
253.08496	2.0
255.02835	0.6
255.06242	0.2
256.03534	0.4
257.04398	4.6
258.04956	0.2
259.02283	0.5
259.05905	0.4
260.03152	0.6
261.03909	9.8
262.04019	0.2
263.06924	1.0
264.07816	0.4
266.05701	5.7
266.08609	0.3
267.06351	0.4
269.04352	3.5
270.05035	0.3
271.02386	0.3
271.05930	0.7
271.09479	0.2
273.03885	47.1
274.04340	1.5
275.05338	1.0
279.06317	0.2
280.07272	0.4
281.08038	27.8
282.08386	1.2
283.02350	0.4
283.05954	0.5
284.03098	0.3
284.06760	0.2
285.03934	9.2
285.07440	1.3
285.10724	0.3
286.04456	0.3
287.05447	2.8
289.03448	0.7
291.06445	0.5
294.02161	0.1
294.05139	4.0
297.03903	2.4
298.04590	0.8
299.05457	1.4
299.09106	1.0
301.03357	0.6
301.06961	0.5
309.07523	28.6
310.07910	1.3
311.05450	1.2
312.06216	2.5
313.10684	0.3
327.08572	37.1
328.08826	1.6
345.09628	100.0
346.09979	4.3
346.13797	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	345.0965
Annotation	hyperxanthone C
Peak:m/z	Relative Intensity
53.88264	0.6
60.08539	0.5
67.05579	0.8
67.51813	0.6
70.86885	2.3
75.00584	0.6
80.81020	0.5
82.16024	0.5
129.07126	0.9
153.01918	1.0
183.08136	0.7
197.06041	0.6
201.05544	0.8
205.08696	0.9
209.07028	0.5
211.07724	0.9
217.05078	1.5
223.09843	0.7
229.04993	2.9
235.07693	1.0
243.02908	1.0
245.04375	4.4
253.08807	1.7
256.03659	1.5
257.04446	7.4
260.03131	0.6
261.03973	1.6
263.07114	2.3
266.05695	6.6
269.04422	8.4
273.03891	11.9
274.04547	0.7
280.07455	0.8
281.08054	22.9
282.08435	0.9
285.03925	20.4
285.07175	1.3
286.04294	0.7
294.05130	5.0
297.03961	3.2
298.04196	0.8
299.05594	1.7
299.08908	1.0
309.07532	33.6
310.07831	0.8
311.05533	4.1
312.06308	4.3
327.08588	100.0
328.08878	4.0
345.09616	18.6
346.09863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0961
Annotation	UCF 76B
Peak:m/z	Relative Intensity
57.07050	0.6
59.04972	1.0
67.05495	0.4
69.07057	0.4
71.55793	0.4
80.64192	0.3
81.06999	0.5
85.59583	0.3
91.05457	0.4
93.07022	0.9
95.08573	0.7
98.21467	0.8
105.06969	0.6
107.08563	1.2
109.06512	0.5
109.10123	0.4
119.08597	0.4
121.02871	0.5
121.06475	0.8
123.11652	1.0
128.72647	0.3
131.08533	0.4
134.02989	0.4
135.07986	0.5
135.11668	1.1
137.05920	0.5
137.09605	0.3
137.31609	0.3
139.03885	0.5
149.09579	0.4
154.78407	0.4
162.06691	0.8
163.07584	0.5
175.11107	0.4
177.05515	0.4
177.09055	1.3
187.03838	1.6
187.07509	0.7
191.03432	0.4
202.50609	0.3
205.04929	1.8
205.08569	7.7
213.05368	1.7
214.06198	1.3
217.04909	0.4
223.09605	7.6
231.02846	0.6
232.03581	0.8
233.04430	1.6
240.04111	0.9
241.04875	2.4
242.05737	3.8
243.06383	0.3
245.04503	1.9
257.04349	0.8
259.02399	0.6
261.03894	18.9
261.14810	0.6
266.05661	0.4
269.04404	64.9
270.05151	22.6
270.08151	0.8
271.05814	0.9
273.03839	3.8
274.04584	1.8
275.16473	0.4
277.03406	0.4
281.08054	2.3
285.03897	1.0
285.07440	0.7
287.05295	0.5
289.03372	100.0
290.03735	2.8
295.05850	0.7
299.09036	0.8
302.04230	1.1
309.07562	2.0
311.09109	2.8
313.07120	2.0
313.10562	0.4
327.08624	4.1
327.19357	0.8
345.09622	37.9
345.20511	5.5
346.09982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0966
Annotation	Hyperxanthone C
Peak:m/z	Relative Intensity
55.05514	0.6
59.05006	0.8
67.05499	0.4
69.76196	2.2
79.05492	0.3
81.07062	0.6
91.05470	0.4
93.07065	0.4
95.04959	0.3
95.08603	0.5
98.21012	1.1
98.21603	0.3
100.20864	0.3
107.04968	0.4
107.08595	0.3
118.81731	0.3
123.11710	0.6
131.04919	0.4
133.06514	0.3
135.08075	0.4
137.05977	2.2
138.86575	0.3
142.03104	0.3
145.06462	0.3
147.04410	0.3
159.08054	0.3
163.06207	0.3
163.07552	1.2
177.05521	0.3
183.07928	0.3
187.03874	0.5
191.07056	0.3
199.04042	0.3
201.05499	0.5
201.28404	0.3
203.03384	2.0
205.08612	1.5
207.73212	0.3
215.03366	0.6
217.04874	0.4
223.09570	2.2
225.10204	0.5
229.04926	0.7
235.07442	0.3
241.04912	1.1
243.02847	0.4
244.03522	0.4
245.04446	5.5
247.02225	0.4
253.09605	0.4
257.04425	12.7
258.04938	0.5
261.03925	2.4
263.07050	0.4
266.05771	1.4
269.04422	8.1
270.04788	0.4
271.02347	34.5
272.02740	1.8
273.03903	100.0
274.04251	4.1
281.08075	6.8
282.08514	0.4
285.03897	2.5
285.07581	1.3
287.05496	0.8
289.03345	0.8
294.05081	0.7
297.03964	0.4
297.07428	0.5
299.05719	0.6
299.09030	7.6
300.09494	0.4
309.07504	7.2
310.07822	0.6
313.10602	0.6
327.08612	12.0
328.08884	1.1
335.32834	0.3
345.09659	41.1
345.20596	1.2
346.09933	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	Hyperxanthone C
Peak:m/z	Relative Intensity
52.00657	0.7
55.05525	1.5
57.07079	3.3
59.04995	5.0
67.05474	1.0
69.07072	2.1
70.93265	0.6
79.05507	1.0
81.07063	1.6
93.07058	2.0
95.08615	0.9
105.07044	2.8
107.08593	0.9
109.10129	1.0
110.53434	0.7
119.08618	0.8
123.11706	1.5
135.11697	0.9
137.05968	0.8
147.11757	2.3
149.13286	0.6
151.31865	0.7
179.07127	1.1
203.03407	0.9
205.08633	2.7
223.09508	3.7
229.04965	2.4
241.05000	2.8
243.13680	1.0
244.03690	2.6
245.04419	1.9
247.02339	2.6
249.03911	1.0
257.04428	52.5
258.04794	2.4
261.04031	1.7
266.05759	1.5
269.04446	11.4
269.07574	1.4
271.02423	1.3
273.03931	20.8
281.08041	4.7
283.06003	1.3
285.07553	67.4
286.07831	2.1
289.03290	0.9
294.05246	2.2
297.07526	6.7
299.09177	4.1
299.12546	0.7
309.07538	26.5
310.07794	1.7
312.06271	0.9
313.10834	1.0
327.08600	100.0
327.19275	2.0
328.08887	4.9
345.09644	32.6
345.13248	1.8
345.20483	4.1
346.09952	1.5
367.81021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0965
Annotation	hyperxanthone C
Peak:m/z	Relative Intensity
50.57682	0.6
55.05465	1.2
57.03385	0.7
57.07003	3.8
59.04930	5.7
67.05437	1.5
69.07004	1.1
70.34724	2.8
79.05450	1.2
81.07008	0.6
85.06470	0.9
91.05455	0.7
93.06937	0.8
95.04906	0.8
95.08539	0.9
98.21513	0.6
105.06934	2.5
107.04897	0.7
107.08493	0.8
109.05066	0.5
109.10081	0.9
118.04917	0.5
119.08534	1.2
121.06496	0.6
121.10065	0.9
123.04316	0.9
123.08071	0.6
139.03818	0.9
147.11591	1.4
151.07437	0.8
153.05276	0.6
161.05943	0.8
165.09077	0.7
173.09476	0.6
197.08006	1.5
199.09494	0.8
203.03296	0.6
205.08493	1.2
213.05392	0.8
217.04991	0.8
218.65944	0.6
219.17488	1.1
223.09595	0.9
228.08025	0.6
229.04814	2.0
229.07312	1.4
241.04886	2.9
242.05367	0.7
243.10065	0.6
243.13699	2.0
244.03722	2.8
245.04440	4.7
247.02301	1.0
247.08496	1.4
253.08495	0.8
257.04422	51.0
258.04770	1.6
261.03860	2.3
266.05719	2.6
267.06357	1.0
267.09021	1.2
269.04443	12.1
271.05997	1.3
273.03885	11.5
277.03479	0.7
279.06534	0.6
281.08090	6.6
283.05994	1.0
285.07535	69.7
286.07800	2.9
287.05341	2.0
294.05106	1.4
297.07526	6.3
299.09018	4.2
309.07544	27.4
310.07791	1.2
311.05316	1.1
312.06210	1.0
320.13849	0.8
327.08594	100.0
328.09015	5.8
345.09650	28.5
345.16849	0.8
345.20456	5.3
346.09952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	6.6
69.51061	1.6
69.51493	1.4
70.02911	0.3
71.95241	0.9
82.29869	0.3
91.05767	0.4
96.00832	0.3
97.02862	2.1
98.21418	0.5
98.97565	16.8
99.97841	0.4
101.00867	0.4
101.94964	0.3
102.96833	0.6
113.03481	2.1
116.98596	19.0
117.98969	0.3
118.98232	0.3
119.01891	5.5
120.02006	0.3
120.97826	0.7
121.01694	0.5
122.97809	0.3
134.99637	13.3
135.99928	0.4
137.00053	0.4
137.02943	2.5
138.98915	0.7
140.00070	0.5
142.03452	1.3
153.00688	2.0
155.37936	0.3
158.01204	0.7
158.99782	0.6
160.04514	0.5
164.92986	0.3
175.15784	0.3
177.00922	11.5
178.01016	1.2
179.00681	0.6
182.99789	1.4
190.95348	0.6
201.00865	5.3
202.01183	0.6
202.93330	0.4
208.96606	0.4
218.03441	0.3
219.01964	100.0
220.02083	12.0
221.01923	0.9
223.01556	0.3
223.75706	0.3
224.02570	0.4
232.96530	0.7
233.03583	0.5
234.99837	0.5
236.99707	0.8
238.95508	1.3
242.03558	6.2
243.01703	1.9
250.97499	0.5
254.01025	0.3
255.01958	1.1
256.96570	11.1
257.96643	1.5
258.96265	0.8
258.99896	1.6
260.00018	0.3
260.99744	1.7
261.03000	11.6
262.00009	0.4
262.03143	1.8
263.02744	1.5
272.94360	1.8
273.02972	0.7
273.94482	0.7
274.94537	0.6
274.97549	5.7
275.97754	0.9
277.00745	1.8
278.01099	1.0
278.97845	0.4
279.00766	2.0
279.98157	2.1
280.00732	0.4
280.96600	1.3
282.92807	0.5
282.99866	1.9
283.42865	0.4
284.00381	0.6
284.04437	0.5
284.99802	4.2
285.02853	0.7
285.99841	0.5
288.92172	0.7
290.95358	0.5
292.95364	0.5
292.98468	1.1
297.02896	0.4
298.97626	36.6
299.97839	4.0
301.00964	3.5
302.01245	1.3
302.97205	0.3
303.00830	6.6
303.04126	0.9
304.00998	0.5
307.93372	0.3
309.96243	3.7
310.46249	3.4
310.96133	3.2
311.45908	0.8
314.95883	0.7
316.93152	1.4
316.98816	0.5
317.93243	0.7
317.98657	0.3
318.45145	0.9
318.94757	9.7
319.44714	5.2
319.94351	3.6
320.43997	0.9
320.97989	0.7
321.01706	0.4
321.46841	1.1
321.99423	7.8
322.46890	1.4
322.99393	1.2
327.00668	0.5
327.95383	4.8
328.44815	3.4
328.94907	2.1
329.44415	1.2
330.45789	0.9
330.93597	0.6
345.01724	3.1
345.57635	0.6
346.02051	0.4
354.93542	0.4
356.93399	1.4
357.93134	0.5
363.02881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01845	0.9
57.03435	1.4
59.04993	45.4
61.02907	2.3
61.94291	0.6
69.03417	4.4
71.04976	1.0
71.06355	1.8
73.02885	0.9
77.06023	2.1
81.03400	1.9
85.02894	18.6
89.05515	1.0
89.06020	15.8
91.05462	1.8
97.02876	4.2
99.04424	1.2
100.73783	0.6
102.29359	0.6
103.07567	52.4
104.07898	1.0
107.04928	0.7
109.02868	1.4
119.04936	6.8
121.08570	1.0
122.06018	1.4
123.04353	1.2
127.03884	2.5
133.08566	7.7
137.06068	0.8
139.72102	0.6
143.27078	0.6
145.04922	2.9
146.05966	0.9
147.04390	41.2
147.10118	1.2
148.04698	2.5
163.03839	1.4
164.07053	11.5
165.05455	21.5
165.11205	100.0
166.05821	1.2
166.11565	4.1
177.09128	0.6
180.08687	1.3
182.08022	0.9
192.40474	0.6
205.08614	1.9
206.62389	0.7
223.09633	2.4
235.96596	0.7
258.78180	0.7
326.12360	1.5
326.18442	0.7
338.69690	0.7
344.13184	1.3
344.19299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56923	2.1
54.17924	2.1
55.05500	5.3
57.03426	4.1
57.07062	6.4
67.05498	11.5
68.99789	2.8
69.03433	7.6
69.07061	63.4
70.06570	3.0
71.04982	23.2
71.80717	3.6
73.58028	2.4
79.05471	2.7
81.07040	6.5
83.01330	37.1
83.04980	37.6
83.08611	2.5
87.04442	2.8
88.07630	3.0
91.05474	8.6
93.07034	11.5
93.28847	1.9
95.04951	5.9
95.08601	35.0
97.10136	3.1
99.08091	2.5
105.06992	13.1
106.07362	3.3
106.08630	2.3
107.08572	10.8
109.06539	4.8
109.10145	9.1
113.06027	2.9
115.03919	100.0
119.08569	63.2
120.08867	3.2
121.06503	5.4
121.10136	7.5
122.10529	2.9
123.04425	6.5
123.08054	52.6
123.08905	3.9
123.11687	9.0
124.08421	2.3
131.08543	3.2
133.04973	9.2
133.06429	2.8
133.10129	3.9
135.08054	6.3
135.11664	8.8
136.12035	2.4
137.09599	43.3
145.10127	5.2
146.10461	2.4
147.08066	11.8
147.11662	3.6
149.09537	3.8
151.07521	10.6
153.05457	5.5
157.04953	41.8
159.08012	2.8
161.09666	3.4
162.06683	2.9
163.07532	6.8
163.11235	2.6
165.05481	8.2
165.09099	17.7
166.05782	6.6
169.08597	17.3
173.09612	5.5
175.07585	3.6
175.11162	2.7
175.25333	2.1
177.09123	8.4
179.10696	26.9
181.08519	2.6
183.10161	8.8
183.11626	3.0
189.07561	7.4
189.09099	2.9
189.12735	4.2
191.10689	2.9
193.08566	22.8
193.10028	2.8
201.09079	3.2
201.12636	2.6
205.08580	40.4
206.08911	6.1
207.10139	69.6
211.09688	6.6
213.12778	2.8
221.08125	2.4
221.11630	2.4
223.09636	49.3
224.10007	6.2
225.11195	98.0
225.16393	3.5
226.11510	5.1
235.13295	2.9
237.11255	2.5
239.12718	2.8
243.10139	3.2
243.13832	3.4
245.04451	6.6
245.11774	3.8
253.15834	4.8
257.13797	16.1
261.11185	6.7
263.12775	5.4
273.03845	19.3
277.14392	6.0
281.08090	11.8
281.19141	3.8
283.20425	4.3
285.03937	4.4
287.16281	3.3
288.13727	2.9
288.16788	9.6
295.15375	46.3
296.15747	2.9
298.19092	2.5
301.14493	2.5
308.17371	2.6
309.07611	14.0
326.18307	10.8
327.08606	18.0
327.15790	5.4
327.19540	5.5
344.12363	4.2
344.19312	34.2
344.23108	17.6
344.31378	5.5
345.09647	42.3
345.16843	9.3
345.20615	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01869	4.1
55.05491	1.9
55.73768	1.1
57.03419	4.2
59.04995	1.5
60.04516	3.1
61.02908	5.8
62.03598	1.3
67.05492	3.1
69.03413	12.3
70.35905	5.7
71.04978	2.6
73.02914	2.8
79.05482	2.3
81.03407	6.7
81.07032	2.2
84.04501	1.8
85.02894	58.0
85.64574	1.1
86.03234	1.9
87.04446	2.0
91.03936	4.6
91.05475	2.6
93.07027	2.5
95.04962	2.4
95.08575	1.9
97.02866	15.4
99.04456	3.4
100.11233	4.0
101.11593	1.7
105.03335	1.4
105.07020	18.7
107.04935	4.0
108.05251	1.3
109.02852	7.4
109.06474	1.4
109.10139	1.5
111.04424	1.3
119.04930	2.7
120.05265	1.3
123.04416	13.7
124.05237	24.6
127.03889	11.8
131.04929	3.3
133.06467	17.5
135.04427	4.6
136.04747	2.8
137.05960	34.7
139.03874	2.1
139.49767	1.2
145.04941	21.4
147.04398	7.1
147.11829	1.7
148.04742	4.5
148.05971	1.3
151.03941	3.6
163.03894	4.4
163.05981	4.2
164.04218	3.5
164.11551	1.8
165.05460	3.8
165.09096	100.0
166.09430	2.2
175.07535	1.7
176.07774	1.5
179.03447	1.8
180.08615	2.7
189.09251	1.2
191.03374	27.4
191.07027	2.7
192.03696	34.2
193.08638	3.2
204.03709	2.2
205.08621	2.0
206.05368	1.4
217.04964	2.4
222.04694	2.4
223.09586	2.2
229.04933	2.2
233.04482	2.0
239.06970	2.0
241.08452	1.4
243.02892	2.2
245.04451	9.5
257.04388	5.4
261.03909	6.3
266.05682	3.5
269.04398	3.0
273.03870	30.3
281.08066	20.7
285.04059	7.3
285.07172	1.6
285.11050	1.6
287.05438	2.4
294.05118	2.7
297.03796	2.0
299.08917	2.1
309.07568	22.5
313.10611	4.6
326.23218	1.6
327.08560	32.9
327.12424	1.9
344.08469	25.7
344.12561	1.7
344.19003	1.4
344.24063	3.8
344.30862	6.9
345.09644	80.6
345.13239	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	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01852	0.4
57.03416	1.1
57.50401	0.6
61.02905	2.2
65.54594	0.4
69.03421	3.4
71.50472	0.9
73.02869	0.8
81.03373	1.6
85.02894	16.9
89.41862	0.6
91.05468	3.7
97.02869	3.7
99.04436	0.9
109.02874	0.8
119.04929	16.7
119.16570	0.5
123.04392	2.2
127.03873	3.3
145.04961	3.7
147.04390	100.0
148.04672	3.1
165.05457	58.7
166.05826	2.1
180.08656	2.3
182.08105	0.7
197.15581	0.5
309.09671	0.7
344.13364	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	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01878	0.6
57.03410	1.1
61.02909	1.5
69.03413	4.2
70.90285	0.5
70.90627	0.9
74.78935	0.4
78.39027	0.5
81.03404	1.2
85.02885	17.7
86.03224	0.7
91.03933	0.7
91.05469	3.4
93.87115	0.5
95.04951	0.4
97.02872	4.2
99.04421	0.6
99.08098	0.4
106.17713	0.4
107.15294	0.4
107.65850	0.4
109.02855	1.8
109.03590	0.4
117.09074	1.2
118.09492	0.5
119.04917	15.3
123.04418	2.3
127.03883	3.3
145.04915	3.5
147.04379	100.0
148.04732	2.8
163.09610	0.7
165.05447	55.9
166.05779	1.7
174.69250	0.4
180.08685	2.3
182.08086	1.4
223.98201	0.4
250.12074	0.4
261.64807	0.5
309.09793	0.7
344.13281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04017	1.1
52.50588	1.3
52.66244	1.0
53.03938	1.4
54.38473	1.2
55.01859	3.6
55.05503	30.8
55.68541	1.1
57.03423	20.1
57.06793	1.8
57.07066	21.4
58.39106	1.4
59.04969	2.1
67.05492	32.2
67.74438	1.3
69.03408	3.2
69.07056	54.9
69.24877	1.3
69.96330	9.5
71.04971	5.5
71.08617	10.6
73.06560	2.0
79.05474	17.8
81.07041	44.5
83.01310	3.2
83.04968	3.9
83.08603	34.3
84.22017	1.4
84.24742	1.4
85.06521	2.7
85.10154	6.1
87.84748	1.3
91.05437	11.0
93.07027	26.7
95.04958	4.5
95.08590	43.0
97.06522	15.8
97.10157	17.8
99.08087	2.2
101.05994	2.1
105.07011	13.7
107.04933	1.4
107.08573	29.5
109.06486	3.7
109.10146	28.3
111.00723	1.3
111.08058	11.2
111.11726	6.4
113.05976	2.3
115.07551	3.9
117.07020	1.9
119.08593	6.1
121.06466	2.8
121.10127	26.6
123.08022	2.1
123.11684	18.0
125.09600	6.9
125.13194	1.4
131.08531	4.6
133.10101	17.5
135.08008	4.0
135.11671	21.9
137.05965	3.7
137.09575	2.1
137.13268	3.2
139.11148	8.4
143.08531	2.5
143.10628	1.5
145.10104	5.6
147.08020	1.3
147.11684	4.3
149.05913	1.7
149.09630	3.2
149.13243	11.9
151.07532	2.0
151.11128	2.3
153.05447	5.2
153.12727	5.1
155.08470	1.8
157.10095	2.8
159.08023	2.4
161.05925	1.6
161.09595	2.3
163.07512	5.3
163.11116	2.0
163.14870	3.1
165.05458	24.0
167.14308	4.5
169.10057	2.0
171.08104	2.1
171.11627	1.6
173.09592	2.7
175.11095	3.8
177.05418	3.7
177.09097	5.6
179.07016	3.1
181.10208	1.6
183.11703	2.7
185.09639	1.8
185.13185	2.3
187.07487	2.2
187.14816	2.2
189.05403	3.0
189.09094	2.0
191.07076	3.4
191.10767	1.5
195.11568	1.9
203.06996	6.8
203.10657	1.9
205.08562	27.9
205.19508	15.8
213.12714	2.3
215.17953	5.0
217.04849	1.4
217.08708	2.0
219.10167	2.6
221.08054	4.7
221.11577	9.3
223.09581	31.0
223.20546	14.1
231.10158	3.8
233.19003	2.4
235.09625	2.2
237.12733	1.7
238.38069	1.7
239.14424	1.4
241.21538	2.1
243.10165	2.0
245.04419	3.0
245.11638	3.1
249.11153	3.0
251.17856	1.5
251.20020	7.9
255.13670	2.0
259.09686	1.9
263.05487	6.5
265.12128	2.1
269.04477	2.3
269.11649	4.2
269.15402	1.5
269.21161	5.1
272.03159	4.3
273.03912	2.0
273.14700	2.1
275.05505	7.1
275.16312	1.5
276.05881	1.9
279.17361	1.7
283.13293	3.3
287.05444	51.7
287.13174	2.7
287.16458	25.4
287.22098	67.9
288.05786	4.5
292.14423	1.7
297.18597	2.4
301.14307	6.1
307.16867	6.1
325.17947	18.2
325.23816	9.8
343.08008	4.7
343.11951	28.1
343.18964	69.7
343.24698	100.0
344.19330	4.3
344.25330	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03937	4.2
55.01856	3.4
55.05510	10.5
57.03430	6.3
57.07076	6.3
59.04991	2.9
62.61821	1.3
67.05495	15.2
68.08938	1.2
68.56333	1.2
68.99792	1.2
69.03428	7.0
69.07060	15.2
71.04991	11.8
71.80070	1.6
71.80445	1.4
71.80812	1.2
79.05486	14.6
81.03407	1.7
81.07046	21.0
83.01315	1.6
83.04987	5.7
83.08600	1.3
85.06531	4.3
91.05465	20.4
93.07033	43.8
95.04341	1.4
95.04954	35.3
95.08595	46.1
97.06509	11.3
103.05470	2.5
105.07017	48.4
107.04939	3.3
107.08578	35.9
109.06510	12.3
109.10155	6.7
111.04429	1.6
113.06006	2.6
115.05460	3.8
117.07006	18.2
119.04856	1.5
119.08573	18.0
121.06512	11.4
121.10137	17.0
123.08035	16.9
123.11686	9.2
125.06007	1.9
128.06221	2.5
129.06990	4.9
130.07780	9.2
131.08543	6.3
133.06487	4.1
133.10120	16.7
135.04388	1.3
135.08040	17.9
135.11678	14.0
137.05951	4.5
137.09625	3.0
143.08578	8.2
144.09290	1.8
145.06433	2.2
145.10109	47.7
147.08028	9.0
147.11682	4.2
149.09590	4.3
151.07516	23.1
153.05444	29.8
153.09084	4.2
155.08531	2.5
156.09383	1.2
157.10139	5.2
159.08072	3.1
159.11659	6.5
161.05974	1.7
161.09593	6.9
161.13261	3.6
163.07530	2.7
163.09790	2.0
163.11166	36.2
163.12476	2.6
164.11615	1.4
165.05473	7.3
165.06807	1.1
165.09093	13.1
169.10097	2.7
171.11644	4.7
173.09628	4.9
173.13306	2.1
175.07518	2.6
175.11140	6.4
175.14728	1.2
177.09068	6.2
179.07010	2.5
179.10713	1.4
181.09987	1.2
181.12300	1.3
182.10834	1.2
183.11658	2.3
185.09595	1.8
185.13283	3.2
187.11142	3.5
187.14757	1.6
189.09123	1.8
189.12715	7.3
191.06973	2.4
191.14333	2.6
195.11713	1.9
197.13318	2.9
199.11130	1.3
201.09114	1.8
203.07019	2.8
203.10661	2.8
203.14307	5.8
205.08554	9.7
207.10078	1.4
207.13834	5.0
209.13490	1.6
209.15414	4.4
211.14732	1.2
213.12737	1.2
213.16367	1.7
215.14282	2.3
216.04231	2.8
217.12190	2.6
219.10063	1.8
221.08148	5.5
221.11819	8.4
221.15312	19.2
223.09589	9.2
223.14813	1.8
225.12804	2.0
227.10718	1.2
227.14296	1.6
229.05032	1.5
231.06493	3.9
231.10208	2.2
231.13884	1.7
231.41942	1.2
235.09576	1.4
239.14240	1.6
241.05008	1.3
243.13647	1.6
244.03673	4.1
245.15480	1.5
251.14070	1.5
257.11630	1.9
257.15558	1.4
259.06030	7.1
263.16284	8.0
269.11880	2.4
269.15479	3.6
271.02512	1.6
272.03140	33.3
273.03616	2.2
273.11105	1.6
273.14911	3.5
275.16440	9.4
283.13315	1.9
285.03860	1.3
286.19266	4.2
287.05460	71.3
287.16394	6.4
287.19653	2.2
288.05771	8.6
288.85385	1.3
301.14386	1.7
301.17899	1.5
307.16956	1.9
307.20770	1.6
325.17990	6.5
325.21674	6.2
343.08163	1.7
343.11792	39.5
343.18927	34.3
343.22736	100.0
344.12094	5.4
344.19260	4.1
344.23071	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.53644	1.1
53.03930	3.3
55.01865	4.5
55.05510	12.7
57.03419	4.2
57.07072	7.2
59.04991	3.7
65.03938	1.5
67.05495	15.4
69.03426	5.9
69.07063	14.9
71.04987	12.0
77.26836	1.4
79.05486	12.1
80.40675	1.2
81.03411	1.7
81.07052	19.7
83.01315	3.7
83.04965	3.4
83.08620	1.7
85.06514	3.0
91.05465	16.7
93.06444	2.1
93.07036	44.0
93.60429	1.4
95.04960	29.9
95.08597	50.5
97.06509	7.6
98.21452	3.2
103.05447	1.7
105.06339	2.5
105.07023	48.9
105.07728	2.9
107.04929	3.0
107.08585	39.0
109.06516	10.8
109.10108	7.6
113.05973	2.2
115.05460	4.3
117.07011	16.5
119.08562	16.5
121.06492	7.9
121.10133	13.3
123.08071	12.6
123.11725	11.0
125.05972	1.8
125.14926	1.2
127.03790	1.2
128.06204	1.9
129.06976	4.2
130.07777	8.6
131.08556	7.6
133.06505	3.9
133.10109	15.1
135.08044	14.1
135.11670	16.4
137.05971	4.1
137.09599	3.2
140.89229	1.2
142.07770	2.2
143.08598	6.1
143.39359	1.6
145.06480	1.8
145.08974	2.7
145.10115	43.2
146.10516	1.5
147.08034	7.6
147.11664	4.2
149.06000	1.4
149.09615	3.8
149.13135	1.7
151.07533	25.0
153.05470	10.2
155.08575	1.7
156.09349	1.7
157.10098	5.5
159.08023	3.8
159.11674	5.3
161.05936	2.2
161.09596	5.6
161.13242	2.9
162.06741	1.8
163.07527	4.3
163.11165	35.7
165.05463	36.2
165.09094	9.1
167.08598	1.8
169.10156	3.0
170.10968	1.4
171.11670	3.6
173.09657	3.1
173.13235	2.3
175.07597	1.8
175.11130	4.9
177.05527	2.2
177.09106	6.9
179.07022	6.0
181.10022	1.8
183.11638	2.0
185.09631	2.9
185.13165	1.8
187.07500	1.7
187.11174	3.9
189.09138	2.9
189.12706	5.7
191.07024	5.1
191.10643	1.7
191.14392	2.4
191.49783	1.4
193.08583	2.4
193.10222	1.3
195.11713	2.1
197.13213	2.2
199.11162	1.5
199.14738	1.4
203.07027	10.2
203.10661	2.4
203.14307	5.4
205.08575	15.8
205.12248	1.5
207.10083	1.8
207.13770	2.5
209.15341	3.3
213.09064	1.6
215.10896	1.5
217.08528	2.2
217.12294	2.8
219.10123	2.9
221.08162	8.3
221.11688	25.4
221.15263	16.2
223.09586	12.7
223.14899	1.8
225.12790	1.5
227.10625	1.4
229.08566	1.7
231.10132	5.2
231.13780	1.7
233.15356	1.7
240.23082	1.4
243.10013	1.9
243.13802	1.9
245.15196	2.0
249.11250	1.8
259.09665	1.6
259.13217	2.4
259.16888	1.7
263.13245	1.2
263.16406	4.4
269.11795	2.8
269.15326	3.6
273.14825	3.7
275.16342	3.7
283.13547	1.8
283.16782	1.8
285.03973	1.9
286.19235	2.6
287.13092	2.4
287.16388	22.2
287.19489	1.4
301.14230	2.2
307.16873	2.0
325.17899	9.3
325.21603	6.9
343.08206	2.4
343.18909	41.1
343.22662	100.0
344.19321	2.7
344.22852	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	343.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19074	0.5
53.03933	1.2
55.01862	1.3
55.05497	3.2
57.03421	1.1
57.07062	2.0
59.04987	1.1
67.05499	6.1
69.03425	3.5
69.07064	3.1
70.84348	0.9
70.84725	0.8
71.04976	3.9
77.09880	0.4
79.05474	4.9
80.45149	0.5
81.03416	0.7
81.07046	6.3
83.01323	4.1
83.04954	4.3
85.06527	0.9
91.05463	9.2
93.07028	14.0
95.04952	9.7
95.08591	16.8
97.06528	2.0
103.05395	0.5
105.07013	20.7
106.07327	1.0
107.04942	1.2
107.08575	17.4
108.08900	0.6
109.06497	4.1
109.10142	5.3
111.08059	0.6
111.66248	0.4
113.06017	1.2
115.05444	1.1
117.07000	5.2
119.08567	6.6
121.06485	5.4
121.10130	10.3
123.04388	0.6
123.08057	5.3
123.11694	6.0
125.05958	0.8
128.06197	1.1
129.06995	1.3
130.07758	1.7
131.08531	4.4
133.06485	2.3
133.10100	15.4
135.04506	0.6
135.08046	7.9
135.11685	3.9
137.05962	4.3
137.09586	1.2
139.03877	0.9
139.07552	0.5
141.05443	0.6
142.07779	1.1
143.08542	3.0
145.06503	0.8
145.10103	12.7
145.11214	0.8
146.10538	0.5
147.08058	2.7
147.11649	3.2
149.05954	2.0
149.09581	4.2
151.07530	6.9
153.05446	5.8
153.09140	0.5
155.08467	0.6
156.09241	0.6
157.10130	1.8
158.71199	0.4
159.08034	4.2
159.11705	2.0
161.05998	0.7
161.09621	2.0
161.13176	1.1
162.06737	4.2
163.07501	7.7
163.11166	9.4
165.05551	2.1
165.09134	2.5
167.08536	0.5
169.10173	1.2
171.08052	1.1
171.11621	1.5
173.09576	2.6
173.13255	0.7
175.07530	1.6
175.11130	7.5
177.05489	0.9
177.09103	10.3
179.03389	0.7
179.07039	2.4
179.08430	0.5
181.08521	0.6
181.10106	0.8
182.10860	0.5
183.11597	0.7
185.09616	1.4
185.13287	1.7
187.07478	3.2
187.11107	0.7
189.09142	1.2
189.12671	1.7
191.07063	2.2
191.10674	1.0
193.08629	1.3
193.12154	0.5
194.10847	0.5
195.06493	0.9
195.11668	1.1
199.07497	0.5
199.11078	0.7
199.14833	0.6
201.09140	1.1
203.07030	1.4
203.10646	2.0
203.14328	1.7
205.08571	49.9
206.09032	2.4
207.10020	0.5
207.13713	0.6
209.13275	1.4
209.15227	0.7
213.09140	0.9
213.12735	1.4
215.10777	0.6
215.14343	0.8
217.08643	1.4
217.12170	0.9
217.25168	0.5
219.10150	1.7
221.08076	3.8
221.11661	3.5
221.15240	3.6
223.09608	56.4
224.09944	2.5
225.09093	0.7
225.12723	0.6
226.09775	0.8
227.10622	1.0
227.14291	1.0
229.08557	1.5
229.12178	0.7
231.06444	0.7
231.10104	2.6
231.13828	1.1
235.09595	0.8
237.12886	1.0
240.11316	0.9
241.12263	2.2
243.10130	1.4
245.11697	0.9
249.10971	2.6
251.17986	0.8
253.12286	0.5
254.09389	0.6
255.13795	1.9
256.10898	0.8
257.11707	1.1
259.16901	0.6
261.11224	0.7
263.16446	1.4
264.15158	0.6
265.12186	1.8
268.10867	0.6
269.11722	7.0
269.15125	1.0
270.11942	1.0
271.13101	0.6
273.14835	2.9
275.16409	1.3
277.12131	1.2
278.12601	0.5
279.17487	1.3
283.13257	4.2
283.16422	0.7
284.13635	0.6
286.19321	0.8
287.05273	0.7
287.12744	2.2
287.16464	1.4
291.13864	0.6
292.14572	0.8
297.18506	2.0
301.14325	6.1
301.17596	0.6
307.16953	4.8
307.20221	0.8
310.15543	0.7
315.19449	0.7
325.17987	14.1
325.21591	2.0
326.18314	1.5
329.17703	0.5
343.18985	100.0
343.22751	27.9
344.19379	13.3
344.23090	2.3
368.54590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01852	5.4
55.05497	13.9
57.03413	5.5
57.07059	6.3
59.04970	5.4
65.03918	2.4
67.05137	1.7
67.05492	23.6
69.03414	11.1
69.07057	15.7
70.30858	7.6
71.04991	12.9
79.05480	18.1
81.03382	2.5
81.07044	22.7
83.01324	4.8
83.04965	8.9
83.08595	3.6
85.06525	4.4
91.05462	29.6
93.07029	55.3
93.66209	1.3
94.07330	2.1
95.04951	37.3
95.08592	66.5
97.06516	10.9
98.21478	1.7
103.05434	2.3
105.07006	65.2
107.04920	3.4
107.08574	40.9
108.05743	1.4
108.08869	1.8
109.06493	14.7
109.10124	12.8
111.04457	1.5
111.08055	3.6
112.31754	1.4
113.05960	8.3
115.05450	5.6
117.06989	21.3
119.04868	1.4
119.08569	23.4
121.06492	15.3
121.10128	31.3
123.04398	1.5
123.08046	19.1
123.11669	5.7
125.05994	3.1
125.09608	2.8
128.06175	3.6
129.06989	5.9
130.07745	8.8
131.08586	9.1
133.06444	5.3
133.10107	34.1
133.11122	2.3
135.08049	17.6
135.11682	13.0
137.05949	5.1
137.09579	3.5
142.07730	3.4
143.08530	9.8
145.06479	2.6
145.10106	60.9
146.10445	3.2
147.08034	11.3
147.11679	6.5
149.09596	5.5
151.07518	32.8
153.05457	11.9
153.09056	2.1
155.08487	2.9
156.09232	2.3
157.10117	10.7
158.10883	1.5
159.08028	5.7
159.11650	10.3
160.08827	2.0
161.09642	10.9
161.13243	4.7
162.06757	2.4
163.07474	4.5
163.11159	43.8
165.05461	13.8
165.09090	12.1
167.07118	2.3
167.08528	2.1
169.10117	5.0
170.10890	2.0
171.08011	3.0
171.11659	2.9
172.08791	1.3
173.09619	4.9
173.13171	2.5
175.07455	2.8
175.11134	11.1
175.14827	1.8
177.09055	11.0
179.06985	4.4
179.08418	2.1
181.10127	2.2
181.12189	2.9
182.10855	1.6
183.11684	4.5
185.09698	2.0
185.13200	3.1
187.07570	1.9
187.11115	4.7
187.14742	2.0
189.09053	3.9
189.12671	8.6
191.07030	3.3
191.10579	3.1
191.14267	2.5
193.10135	2.8
195.11646	3.1
197.11589	1.8
197.13246	3.8
199.11124	3.1
201.09077	2.1
203.06961	6.9
203.10597	3.0
203.14310	8.0
205.08592	22.6
206.08818	2.6
207.06491	2.0
207.10040	1.6
207.13808	2.6
209.13310	3.0
209.15326	4.0
211.14601	2.4
213.09036	1.8
213.12738	6.2
213.16365	2.7
215.10741	1.7
217.12302	3.8
219.10086	2.9
221.08064	8.8
221.11578	8.6
221.15297	20.7
223.09598	23.2
223.14795	2.7
224.10013	2.3
229.08615	3.5
229.12267	1.8
231.10136	3.2
231.17439	6.5
233.15240	2.9
235.09579	2.1
237.11153	1.9
240.23032	2.1
241.15991	2.8
243.10007	2.8
245.04515	7.6
245.15385	1.5
247.09633	2.1
249.11084	3.6
251.07095	3.6
255.10181	2.2
255.13751	2.8
255.17375	1.7
257.11661	3.6
260.03110	3.2
261.03555	1.4
263.16382	5.8
265.12036	2.3
269.11609	5.8
269.15240	3.0
272.03055	2.5
273.03888	19.9
273.14841	5.5
273.18146	2.3
274.04306	2.5
275.16223	4.5
279.06552	1.9
279.17352	1.7
282.05258	2.7
283.13153	4.6
283.16226	1.7
285.03967	3.3
286.19055	1.5
287.01904	2.3
287.05292	2.2
287.12680	4.0
287.16330	14.5
287.19473	2.6
295.13318	3.3
297.07541	3.8
297.18582	3.1
301.03409	4.8
301.07077	7.8
301.14404	3.3
301.17688	1.7
307.16946	5.1
310.15518	2.1
315.08646	6.4
325.06949	6.4
325.14355	2.5
325.17902	26.6
325.21603	9.0
326.18262	2.9
343.04846	1.2
343.08099	45.3
343.11804	2.8
343.18918	100.0
343.22678	94.0
344.08411	5.7
344.19272	9.6
344.23087	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	343.2262
Annotation	Metachromin U
Peak:m/z	Relative Intensity
50.00701	0.5
53.03934	0.9
55.01860	1.0
55.05505	3.6
57.07042	0.9
65.03928	0.7
66.59234	0.5
67.01849	2.0
67.05183	0.8
67.05495	9.7
69.03420	1.1
69.06727	0.9
69.07056	8.8
70.99467	1.3
70.99841	1.3
79.05487	5.1
81.07045	23.9
83.01328	1.0
83.04946	1.1
83.08611	1.4
85.02867	0.7
91.05476	5.4
93.07028	16.2
95.04948	1.6
95.08593	20.5
96.08944	0.8
97.10138	1.3
105.07021	7.1
107.08579	11.8
109.02856	0.8
109.06486	2.2
109.10145	15.2
111.08047	1.1
111.11644	0.7
115.05479	0.8
117.07011	1.0
119.08562	5.4
121.06483	5.4
121.10123	8.6
123.08026	1.1
123.11690	19.9
124.12012	0.7
125.05946	0.6
126.85871	0.6
127.03994	0.7
129.07016	0.7
131.08539	1.6
133.06512	1.0
133.10124	5.1
135.08025	3.2
135.11674	8.2
137.05942	4.5
137.13245	1.2
139.07532	5.6
141.05484	2.9
141.06357	0.5
142.07730	0.6
143.08464	1.2
145.06453	0.7
145.10077	1.4
147.08008	3.1
147.11708	1.4
149.05978	6.5
149.09633	1.4
149.13202	2.3
151.07529	8.0
153.05423	6.1
155.07072	0.6
157.10245	0.7
158.12677	0.7
158.77464	0.5
159.07986	0.9
159.11659	0.5
159.68504	0.6
161.05988	1.4
161.09584	1.6
161.13310	0.9
162.06728	0.8
163.07520	2.7
163.14810	9.3
165.04071	1.1
165.05461	20.7
165.09129	2.9
167.07018	100.0
168.07349	3.2
171.08026	1.0
173.09595	1.8
174.06718	1.2
175.07536	6.1
175.14774	1.9
177.05429	1.9
177.09077	2.0
177.16383	8.0
178.06223	0.7
179.05574	1.0
179.07024	13.9
179.10699	0.8
180.07095	0.6
181.08551	7.6
187.07591	0.8
189.05415	1.0
189.09093	8.2
189.16339	4.7
190.09445	0.6
191.07001	6.0
192.07664	1.4
193.08577	3.4
195.10168	1.3
201.09032	1.6
203.07004	14.8
203.10663	2.0
204.07700	0.6
205.08565	14.1
205.12198	1.1
206.08893	0.9
207.10141	41.5
208.10526	1.4
209.08247	0.7
209.11739	0.9
213.09041	0.9
215.10585	1.4
216.63751	0.6
217.08531	3.5
217.12311	0.7
219.10150	5.8
221.08141	9.6
221.11684	12.1
223.09555	4.7
227.10666	1.7
229.12274	0.7
231.10144	7.4
233.11685	4.6
235.09731	0.9
235.13086	0.6
241.08592	0.9
241.12189	0.9
243.10007	0.6
245.11702	2.4
247.13222	3.8
249.11133	0.9
255.13728	1.2
259.13306	3.6
261.11282	0.9
261.14893	1.6
269.11795	0.8
269.15402	1.5
273.14841	2.3
275.16327	2.2
283.13208	1.0
287.16382	31.0
288.16718	1.8
301.14575	0.7
307.16840	0.9
325.17847	5.1
325.21649	4.0
326.18286	0.8
343.18912	31.8
343.22675	48.9
344.19629	3.6
344.22748	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	343.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
53.39687	0.2
55.01862	2.5
55.05501	1.8
57.03437	0.2
57.07062	0.8
65.03928	0.5
67.05495	3.2
69.03419	6.4
69.07057	6.4
69.75861	0.7
69.76288	1.1
77.03889	0.2
79.05476	3.0
81.03388	0.6
81.07045	7.8
82.07387	0.4
83.01315	2.1
83.05001	0.2
83.08591	0.7
88.25374	0.2
91.05469	4.9
93.07029	7.6
95.04955	1.9
95.08595	2.8
97.06480	0.2
103.05425	0.5
105.03364	0.2
105.07014	4.3
107.01288	0.6
107.04939	0.9
107.08573	6.1
109.02859	0.9
109.06508	2.4
109.10141	5.8
111.04382	0.2
115.05443	0.5
117.07004	2.0
119.04926	0.4
119.08562	2.6
121.06487	7.2
121.10127	1.7
122.06849	0.3
122.10905	0.2
123.04382	1.5
123.08052	1.8
123.11684	23.4
124.12036	1.0
125.05992	0.4
127.03894	1.3
128.06206	0.6
129.06985	2.7
131.04883	0.5
131.08556	0.6
132.05722	0.4
133.06479	3.3
133.10112	1.6
135.04451	0.5
135.08034	8.2
135.11658	5.2
135.12646	0.4
136.08357	0.5
136.12050	0.2
137.05968	3.2
139.03896	0.9
141.05440	4.0
142.07758	0.7
143.08502	0.7
145.06450	0.4
145.10104	0.4
147.04375	0.7
147.08029	7.0
147.11681	0.9
149.05914	1.4
149.09599	0.3
149.13222	0.6
151.03859	1.2
151.07515	3.3
153.05440	9.1
155.07117	0.3
157.06454	2.8
157.10103	0.7
159.08008	0.5
160.05150	0.4
161.05957	9.4
161.09584	0.5
162.06380	0.3
163.03859	2.0
163.07523	0.9
164.04492	0.3
165.05455	36.9
166.05798	0.9
167.07066	1.4
167.08255	0.3
174.06781	0.3
175.03925	0.4
175.07524	15.3
175.11128	0.6
176.07861	0.8
177.05453	2.1
177.09077	0.8
179.07002	71.7
180.07384	2.3
181.04965	0.3
181.08624	0.4
183.06557	0.3
185.05931	2.2
185.09584	0.8
185.13139	0.4
187.07494	0.5
188.04721	0.4
188.08195	0.4
189.05408	1.0
189.09113	1.0
190.06223	0.6
191.07021	3.0
192.07368	0.2
193.08632	1.1
195.06477	1.0
197.07990	0.3
199.07532	0.3
201.09021	0.2
203.06998	59.4
204.07304	2.8
205.08565	11.0
206.08855	0.5
207.10110	0.8
209.08083	0.8
209.11754	0.5
213.09103	0.6
213.12679	0.5
215.06949	0.4
215.10612	0.3
217.08562	3.4
219.10127	1.7
220.10492	0.7
221.08058	49.4
221.11644	2.8
222.08379	3.1
223.09624	1.6
226.09912	0.2
227.10716	0.5
229.08516	0.3
231.10117	15.3
232.10474	0.7
235.09537	0.3
235.13347	0.4
239.08856	0.2
241.08565	0.7
241.12231	0.3
243.10162	0.4
245.11749	2.1
255.13722	0.3
257.11502	0.3
259.13348	1.3
262.10873	0.3
269.11661	0.6
269.15152	0.5
273.14844	1.8
275.16367	2.8
283.13165	0.5
287.16367	100.0
288.16705	5.5
301.14035	0.5
307.16827	1.1
325.17899	4.7
325.21454	0.4
326.18338	0.5
343.18961	39.0
343.22687	9.1
344.19308	4.3
344.23083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2261
Annotation	Metachromin U
Peak:m/z	Relative Intensity
52.59636	0.3
53.03936	0.7
54.05766	0.3
55.01865	1.1
55.05495	3.3
57.07063	0.7
65.03926	0.6
65.15901	0.4
67.05488	3.5
69.03409	0.8
69.07057	25.4
70.27151	1.9
71.63157	0.4
72.82735	0.4
79.05476	2.5
81.03399	0.7
81.07043	7.0
83.01310	2.1
83.04999	0.4
83.08619	0.5
85.24435	0.4
91.05463	3.7
92.48856	0.3
93.07028	4.8
95.04954	0.8
95.08580	3.0
97.10137	0.4
104.37697	0.4
105.07002	4.1
107.01271	0.3
107.04930	0.7
107.07895	0.7
107.08578	7.9
109.02853	1.7
109.06501	3.0
109.10132	4.9
111.11710	1.5
113.03545	0.3
117.06996	1.1
119.04868	0.5
119.08564	2.5
121.06481	3.7
121.10109	1.8
123.04368	0.5
123.08038	0.6
123.11682	18.3
124.12040	0.4
125.62538	0.4
127.03908	1.5
129.06984	1.1
131.04938	0.4
131.08519	0.8
133.06447	1.4
133.10085	3.6
135.08026	3.6
135.11664	6.8
137.05960	6.6
139.03935	1.0
143.08539	0.4
147.04436	0.4
147.08014	2.8
147.11632	0.6
149.05940	4.8
149.09604	0.8
151.03870	0.6
151.07520	1.2
151.11256	0.4
153.05441	7.9
157.06453	1.0
159.08064	0.9
161.05962	4.6
161.09578	1.1
163.03883	1.1
163.07536	2.7
165.05449	80.3
166.05795	2.3
167.07024	0.6
171.07935	0.5
173.09636	0.6
175.04025	0.4
175.07518	8.6
175.11148	1.6
176.04747	0.4
176.07974	0.4
177.05440	6.6
177.09015	2.4
179.07011	7.6
185.05881	1.0
185.09557	0.9
187.07513	1.3
188.08322	0.5
189.05434	8.3
189.09019	2.2
190.05971	0.4
191.07005	4.9
191.49190	0.4
193.08600	1.2
201.09120	0.9
203.06993	54.4
203.10689	1.9
204.07410	2.5
205.08553	12.8
205.12151	2.0
207.06548	0.6
207.10097	1.3
209.11642	0.8
211.94215	0.4
213.09103	0.9
213.12793	0.5
215.10788	0.5
216.07803	2.1
217.08562	4.5
217.12202	1.1
219.10121	3.2
221.05861	0.7
221.08096	16.9
221.11658	23.9
222.08440	0.9
222.12029	0.9
223.09608	8.2
224.09943	0.6
227.10680	0.9
229.08531	0.8
231.10121	14.3
231.13690	0.7
232.10622	0.7
233.11646	1.7
234.12326	0.4
235.13327	0.5
241.15874	0.5
243.10201	0.6
244.10968	1.0
245.11650	5.3
245.15424	0.5
249.11020	0.7
258.12540	0.4
259.13260	9.2
259.16916	1.8
261.14688	0.4
269.11765	1.1
269.15320	1.6
273.14822	2.7
274.15640	1.3
275.16382	2.7
283.13177	0.7
287.16360	85.7
288.16678	4.6
301.14511	0.8
307.16956	1.0
325.17856	3.2
326.18372	0.5
343.18896	27.9
343.22638	100.0
344.19229	2.9
344.22989	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	343.2263
Annotation	Metachromin U
Peak:m/z	Relative Intensity
51.22374	0.3
53.03931	0.6
55.01859	0.7
55.05315	0.2
55.05504	2.8
57.07066	0.7
57.82069	0.3
67.05489	2.0
67.47956	0.4
69.03389	0.6
69.07059	21.7
70.02032	1.6
73.21470	0.3
74.75478	0.3
77.33540	0.3
79.05470	1.4
81.03413	0.5
81.06590	0.5
81.07045	5.1
83.01324	3.0
83.04963	0.4
83.08597	0.7
91.05427	2.0
93.06492	0.5
93.07035	4.9
95.04939	0.6
95.08581	2.7
97.10143	1.2
105.07017	2.8
107.04957	0.4
107.08582	6.0
109.02859	2.2
109.06519	1.9
109.10133	6.0
111.11714	2.2
113.05983	0.4
119.08547	1.0
121.06480	1.3
121.10107	1.5
122.10956	0.3
123.08076	0.4
123.11685	15.4
124.12031	0.4
127.03892	1.9
131.08554	0.7
133.06485	0.7
133.10101	3.4
134.10548	0.4
135.07996	0.9
135.11671	5.0
137.05966	4.2
137.57387	0.3
139.03864	0.5
141.05431	0.4
143.08585	0.6
145.10123	0.5
147.08031	1.1
147.11679	0.5
149.05954	2.8
149.09627	0.9
151.07512	1.0
151.11208	0.7
153.05455	4.6
157.06438	0.8
157.10089	0.6
159.08049	0.8
160.05212	0.8
161.05930	1.9
161.09608	0.8
162.06773	0.4
163.07549	2.6
165.05455	51.0
166.05734	1.7
167.06990	1.4
173.09671	0.7
175.07518	5.2
175.11165	0.9
177.05447	6.8
177.09085	2.9
179.07013	5.5
183.06532	0.4
185.13234	0.6
187.07571	0.5
187.11250	0.3
189.05455	6.5
189.09058	1.6
190.06018	0.4
191.05281	0.6
191.07014	8.1
191.10667	0.8
192.07680	0.4
193.08534	1.1
201.09142	0.9
203.07002	32.9
203.10670	1.9
204.07471	1.5
205.08572	10.3
205.12190	5.0
206.08989	0.5
207.10162	1.1
209.11664	0.5
213.09059	0.4
215.10538	0.3
216.07782	1.2
217.08582	4.9
217.12151	1.1
219.10130	2.6
219.13783	0.7
221.08199	0.9
221.11705	18.7
222.12076	0.8
223.09625	6.2
227.10648	1.5
229.08694	0.4
229.12247	0.4
231.10130	10.2
231.13655	0.6
232.10434	0.7
233.11580	0.8
241.12151	0.5
241.15854	0.7
243.10188	0.5
243.13818	0.4
244.10968	0.6
245.11717	4.7
246.12242	0.5
247.13412	0.7
258.23892	0.5
259.13266	6.6
259.16895	1.8
261.14850	0.5
269.11850	0.6
269.15265	1.9
272.13925	0.4
273.14792	1.0
274.15601	0.5
275.16345	1.7
287.16373	63.3
288.16708	3.4
301.14374	0.7
301.17899	0.7
307.16754	0.5
325.18124	2.3
325.21555	0.5
338.73618	0.3
343.18939	12.4
343.22623	100.0
344.19141	1.4
344.22974	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	343.2262
Annotation	Metachromin U
Peak:m/z	Relative Intensity
53.00289	0.2
53.03930	0.4
55.01860	0.7
55.05276	0.2
55.05503	2.9
57.07055	0.4
60.29270	0.2
65.03930	0.3
67.05489	2.3
69.03400	0.4
69.07056	20.8
70.07385	0.2
70.91882	0.2
70.92244	0.6
71.05000	0.3
72.95808	0.2
79.05482	1.2
81.03405	1.0
81.07043	5.4
83.01325	2.5
83.04969	0.3
83.08640	0.4
91.05464	1.8
93.03394	0.2
93.07027	4.1
95.04935	0.5
95.08584	2.0
97.06499	0.3
97.10149	1.6
105.06989	1.2
107.04913	0.2
107.08579	4.2
109.02861	2.6
109.06507	1.5
109.10142	5.7
111.11701	2.2
117.07002	0.6
119.04871	0.2
119.08578	1.4
121.06469	0.9
121.10103	0.9
123.04398	0.5
123.11686	12.8
124.12004	0.3
125.05949	0.4
127.03909	1.8
128.06166	0.3
129.06950	0.6
131.08543	0.6
133.06459	0.8
133.10114	0.9
135.08012	0.8
135.11661	5.5
136.11934	0.2
137.05962	2.8
139.03905	0.2
141.05423	0.4
142.07710	0.3
143.08473	0.3
145.06464	0.3
145.10085	0.5
147.04405	0.2
147.08020	1.0
149.05939	1.6
149.09613	0.4
151.07509	0.8
153.05441	5.3
154.05801	0.2
157.06467	0.7
157.10094	0.6
159.08034	0.4
159.11664	0.2
160.05231	0.9
161.05957	2.6
161.09601	0.7
161.13174	0.2
163.07516	2.0
165.05452	35.3
166.05780	0.8
167.07011	0.9
171.08005	0.3
171.11700	0.3
173.09674	0.2
175.07527	5.6
175.11166	0.3
176.07983	0.2
177.05446	11.1
177.08975	1.3
178.05730	0.3
179.07013	4.4
183.06516	0.7
185.09619	0.5
187.07512	0.5
188.08359	0.4
189.05435	7.5
189.09073	2.2
189.12717	0.2
190.06055	0.3
191.07005	9.7
191.10587	0.5
192.07373	0.3
193.08588	0.7
193.12195	0.3
196.88651	0.2
199.07361	0.2
199.11113	0.2
201.09053	1.2
203.06996	27.7
203.10677	1.4
204.07420	1.1
205.08560	5.3
205.12202	5.7
207.10132	1.6
209.11707	0.4
213.09029	0.9
213.12444	0.2
215.10670	0.4
216.07863	0.4
217.08565	4.0
217.12125	0.7
218.09120	0.3
219.10143	3.0
219.13643	1.2
221.11690	15.4
222.12125	0.2
225.40941	0.2
227.10570	1.2
229.08551	0.3
229.12201	0.7
231.10117	7.1
231.13817	0.5
232.10606	0.4
233.11649	2.1
233.15434	0.4
235.13350	0.3
241.12196	0.3
241.15897	0.6
243.10355	0.3
243.13640	0.4
244.10898	0.5
245.11691	4.1
245.15323	0.4
246.11919	0.2
247.13237	0.7
257.15396	0.3
259.13239	5.6
259.16840	1.2
260.13718	0.4
261.14816	0.8
269.15295	2.9
272.14059	0.3
273.14969	1.1
274.15659	0.3
275.16388	1.6
287.16373	48.1
288.16663	2.1
301.17999	0.7
315.23050	0.4
325.21597	0.6
343.22614	100.0
344.18851	0.4
344.22946	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	343.2263
Annotation	Metachromin U
Peak:m/z	Relative Intensity
52.08910	0.3
53.03938	0.3
55.01862	0.5
55.05507	2.6
57.07052	0.7
66.49347	0.2
67.05499	1.6
69.03413	0.4
69.07059	19.9
70.27163	0.7
79.05491	1.1
81.03398	0.8
81.07044	4.7
81.14468	0.3
83.01331	2.2
83.08601	0.8
89.23869	0.2
91.05450	1.7
93.07030	3.7
95.04955	0.4
95.08590	1.9
97.10146	1.7
105.07031	1.4
107.04904	0.4
107.08579	3.9
109.02859	2.3
109.06507	1.3
109.10140	5.7
111.11701	2.4
117.07006	0.6
119.08549	1.1
121.06496	1.1
121.10135	1.1
123.04456	0.4
123.11689	14.0
124.12035	0.4
125.06014	0.2
127.03912	2.0
128.06244	0.2
129.05374	0.2
129.06975	0.4
131.08513	0.4
133.06458	0.6
133.10124	0.9
135.04408	0.3
135.08032	0.7
135.11681	5.1
137.05957	2.4
139.03891	0.3
141.05492	0.2
142.07753	0.3
143.08562	0.4
145.06439	0.3
145.10083	0.8
147.08051	1.2
147.11693	0.3
149.05963	1.1
149.09576	0.4
151.07521	1.1
151.11143	0.4
153.05449	4.9
157.06464	1.0
157.10100	0.3
159.08061	0.2
159.11678	0.2
160.05219	0.5
161.05957	2.4
161.09552	0.5
163.07545	1.7
165.05453	32.7
166.05786	0.9
167.07069	1.1
169.10216	0.3
171.11659	0.3
173.09576	0.4
175.07533	6.1
175.11145	0.5
176.08112	0.3
177.05447	10.3
177.09039	1.4
179.07018	3.8
183.06540	0.7
185.09488	0.4
187.07552	0.6
189.05438	6.5
189.09059	2.0
190.06152	0.3
191.07014	8.4
191.10616	0.3
193.08560	0.9
193.12227	0.3
199.07675	0.2
199.11137	0.3
201.09068	1.4
203.07004	26.2
203.10675	1.4
204.07513	1.0
205.08591	5.3
205.12196	5.5
207.10118	1.7
209.11708	0.7
210.55350	0.2
213.09082	0.7
213.12735	0.2
215.10710	0.4
216.07887	0.4
217.08565	4.6
217.12186	0.7
219.10156	2.9
219.13750	0.8
220.10503	0.3
221.08214	0.5
221.11705	16.3
222.12086	0.4
223.09550	0.3
226.13504	0.3
227.10622	1.6
229.12109	0.3
231.10133	6.9
231.13858	0.7
233.11678	1.6
233.15295	0.3
235.13326	0.3
241.15781	0.3
243.10258	0.4
243.13823	0.7
244.10933	0.5
245.11685	4.9
245.15433	0.4
247.13335	0.4
259.13287	5.5
259.16891	1.0
260.13687	0.3
261.14825	1.0
266.78461	0.2
269.15341	2.5
273.15021	1.1
273.17874	0.3
275.16412	1.8
287.16379	47.8
288.16751	2.0
301.17914	0.6
315.23032	0.3
325.17880	0.6
325.21561	0.4
343.22632	100.0
344.18973	0.3
344.23007	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	Metachromin U
Peak:m/z	Relative Intensity
53.03932	0.4
55.01858	0.8
55.05261	0.1
55.05503	1.3
57.03409	0.2
57.07053	0.5
65.03929	0.3
67.05494	1.2
69.03416	1.9
69.07059	7.4
71.04972	0.1
71.42931	0.3
72.52869	0.1
79.05476	1.2
81.03421	0.4
81.07041	2.1
83.01315	1.5
83.04959	0.3
83.08599	0.4
85.02884	0.2
91.05470	2.2
91.82686	0.1
93.07031	8.9
95.04972	0.9
95.08580	1.1
97.06527	0.2
97.10124	0.2
103.05491	0.1
105.07011	1.8
107.04953	0.5
107.08574	4.6
107.40107	0.1
109.02843	0.9
109.06508	1.5
109.10142	2.8
111.04395	0.1
115.05469	0.2
117.07002	0.3
119.04910	0.3
119.08558	1.2
121.06496	1.2
121.10140	1.0
123.04404	0.5
123.08056	0.6
123.11689	4.7
125.05973	0.5
127.03933	0.6
128.06160	0.2
129.06993	0.7
131.08519	0.5
132.05731	0.1
133.06459	0.5
133.10100	1.1
135.08055	0.5
135.11668	5.5
136.11978	0.2
137.05965	2.6
139.03868	1.0
140.25766	0.1
141.05446	1.3
142.07724	0.3
143.08542	0.3
145.10103	0.7
147.04424	0.3
147.08034	1.4
147.11630	0.4
149.05949	0.7
149.09558	0.3
151.03900	0.2
151.07542	1.3
153.05447	11.8
154.05804	0.2
155.06932	0.2
157.06499	0.2
157.10094	0.6
159.08046	0.3
159.11681	0.1
160.05219	0.2
160.08881	0.1
161.05954	1.1
161.09572	0.7
162.06792	0.1
163.07547	0.8
165.05453	34.9
166.05753	0.7
167.07028	1.1
171.08005	0.2
171.11652	0.2
173.05959	0.1
173.09647	0.3
174.06601	0.1
175.07521	4.4
175.11159	0.5
176.08302	0.7
177.05417	0.8
177.09076	0.7
179.07008	29.4
180.07452	1.0
181.08592	0.1
183.06496	0.4
185.09547	0.8
185.13232	0.3
187.07578	0.4
188.08296	0.4
189.05461	1.3
189.07043	0.1
189.07375	0.1
189.09099	1.7
189.12726	0.1
190.06233	0.5
191.06999	3.3
191.10747	0.1
192.07568	0.2
193.08578	1.1
198.06786	0.2
198.10329	0.1
199.07538	0.2
199.11089	0.2
201.09055	0.5
203.07002	37.4
203.10709	1.2
204.07483	1.5
205.08569	6.8
206.09032	0.2
207.06573	0.2
207.10156	0.7
209.11674	1.5
213.09065	0.7
213.12624	0.2
215.07034	0.2
216.07846	0.9
217.08572	2.3
217.12155	0.3
218.09111	0.2
219.10138	1.6
220.10466	0.2
221.08136	5.3
221.11684	8.6
222.12041	0.4
223.09679	0.8
225.09044	0.1
226.09908	0.3
227.10674	0.3
229.08530	0.4
229.12245	0.1
230.09291	0.2
231.10127	15.7
231.13885	0.5
232.10283	0.6
233.11511	0.2
235.13313	2.3
241.12186	0.4
241.15825	0.2
243.10135	0.4
244.10944	0.3
245.11673	2.0
246.12268	0.3
257.11743	0.1
259.13266	19.7
260.13635	1.1
261.11234	0.2
261.14618	0.1
269.15366	0.7
272.14093	0.1
273.14856	0.7
275.16394	2.6
283.13138	0.1
287.16370	100.0
288.16705	5.3
301.14615	0.2
301.17944	0.1
325.17880	0.8
343.18909	4.5
343.22623	30.0
343.37546	0.5
344.19202	0.3
344.22943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	Metachromin U
Peak:m/z	Relative Intensity
53.03941	0.7
55.01859	1.3
55.05500	3.0
57.07059	1.0
61.30962	0.3
65.03934	0.4
67.05493	5.2
69.03422	0.8
69.07056	23.5
69.97637	1.0
70.07415	0.3
71.04971	0.4
75.66277	0.3
78.32887	0.3
79.05481	2.5
81.03408	0.7
81.07042	7.1
83.01323	3.5
83.04969	0.5
83.08601	0.6
84.23213	0.2
85.06551	0.4
88.60693	0.2
91.05454	4.2
93.03387	0.5
93.07029	7.0
95.04947	0.9
95.08589	4.6
97.06545	0.3
97.10130	1.3
105.03358	0.3
105.07014	5.9
105.07714	0.4
107.04913	0.6
107.08572	9.2
108.08900	0.5
109.02859	2.6
109.06530	2.1
109.10136	9.6
110.10426	0.4
111.04447	0.4
111.08057	0.4
111.11689	2.2
113.05970	1.4
117.07000	1.1
119.04935	0.3
119.08553	2.5
121.06512	2.3
121.10124	3.1
123.04418	1.0
123.08066	0.6
123.11682	15.5
124.12035	0.6
125.05936	0.5
127.03881	1.9
129.06963	0.5
131.08551	1.2
133.06490	1.1
133.10104	7.3
133.11107	0.4
134.10483	0.3
135.08057	1.7
135.11667	7.2
137.02312	0.5
137.05945	3.9
139.03876	0.8
141.01799	0.4
141.05426	0.6
142.07722	0.7
143.08556	1.1
145.10092	1.5
147.04387	0.3
147.08037	1.3
147.11679	1.0
149.05943	2.2
149.09650	1.2
149.13295	0.3
151.03867	0.8
151.07498	1.3
151.11206	0.6
153.05434	6.9
155.07071	0.2
155.08511	0.4
157.06493	0.8
157.10086	0.7
159.08058	1.7
159.11693	0.3
160.05180	1.1
161.05913	3.1
161.09575	0.9
162.06679	0.8
163.03883	0.3
163.07535	4.2
163.11205	0.4
165.05452	40.9
166.05791	1.1
167.03389	0.5
167.07066	1.3
171.08037	0.5
171.11671	0.3
173.05910	0.3
173.09598	0.9
174.06752	0.4
175.07521	6.6
175.08914	0.5
175.11130	1.6
176.08110	0.5
177.05438	10.7
177.09026	3.7
178.05887	0.3
179.03378	2.7
179.07004	4.9
179.08449	0.5
180.07257	0.3
181.10060	0.4
183.06528	1.5
183.07932	0.3
185.05966	0.2
185.09622	0.8
185.13173	0.4
185.61757	0.3
187.07509	1.3
187.11163	0.4
188.08286	0.5
189.05444	7.6
189.09081	2.8
189.12729	0.3
190.06186	0.6
191.07004	10.8
191.10564	1.3
192.07776	0.6
193.08601	1.9
195.11618	0.3
197.04385	2.2
199.07558	0.4
199.11212	0.3
201.09004	1.4
203.06996	26.9
203.10464	2.0
204.07616	1.0
205.08566	16.9
205.12169	5.1
206.08902	0.8
207.10165	1.1
209.07959	0.5
209.09770	0.4
209.11594	0.6
213.09082	1.1
213.16246	0.3
214.10027	0.3
215.10637	0.7
216.07840	0.6
217.08565	5.5
217.12201	1.0
218.09238	0.5
219.10120	5.8
219.13496	1.3
220.10550	0.3
221.08086	27.4
221.11621	21.1
222.08444	1.3
222.12024	0.7
223.09604	11.0
224.09978	0.6
225.08977	0.5
227.10645	2.3
227.14130	0.3
229.08540	0.9
229.12308	0.8
230.09262	0.3
231.10112	9.1
231.13748	0.6
232.10596	0.7
233.11656	1.8
233.15269	0.3
235.09613	1.0
237.10982	1.9
239.10611	0.5
241.12189	0.9
241.15909	0.5
243.10062	2.2
243.13779	0.7
244.10884	0.5
245.08104	1.5
245.11684	4.8
245.15375	0.5
246.12198	0.4
247.13310	0.4
249.11037	1.8
251.17766	0.4
255.09996	0.3
255.13795	1.5
257.11633	0.6
259.09488	1.4
259.13278	6.4
259.16840	0.9
260.13724	0.4
261.11246	2.2
261.14795	1.0
265.12311	0.7
268.10870	0.3
269.11731	1.7
269.15335	3.0
272.14111	0.6
273.11429	0.5
273.14783	1.7
274.15430	0.5
275.16443	2.5
279.17111	0.3
282.12341	0.6
283.13220	2.6
283.16269	0.4
287.16354	50.0
288.13748	0.5
288.16702	2.5
297.18463	0.8
301.14514	2.0
301.17624	0.5
307.16806	0.8
325.17966	6.6
325.21606	0.6
326.18301	0.6
343.18884	37.1
343.22632	100.0
343.37616	1.1
344.19208	3.9
344.23004	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	343.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32060	0.5
51.69433	0.5
53.03947	0.6
55.01848	0.8
55.05509	4.4
56.05027	3.4
57.03430	0.7
57.07054	1.5
65.03952	0.6
67.05485	5.2
69.03413	1.7
69.07051	3.8
70.06602	0.7
71.04971	2.9
71.81949	0.5
72.65331	0.8
79.05473	3.9
81.03381	0.8
81.07047	13.7
83.04967	1.6
83.06090	22.9
83.08604	2.5
84.04492	85.5
85.02884	3.0
85.04803	1.1
85.06526	1.9
91.05469	5.7
93.07029	5.0
95.04948	2.3
95.08589	12.9
97.06504	2.9
97.10168	0.7
99.08075	1.1
100.11255	1.2
101.07130	11.8
102.05524	15.9
105.07007	4.4
107.04966	1.6
107.08585	3.7
109.06527	0.8
109.10130	2.0
111.04369	0.6
111.08047	0.7
117.07051	0.7
119.04932	1.5
119.08584	5.9
121.06464	0.9
121.10101	2.5
123.04415	4.9
123.08012	1.3
123.11640	0.5
129.06580	50.5
130.04984	100.0
131.05304	1.0
131.08565	1.0
133.06500	0.7
133.10130	4.5
135.04401	1.8
135.08038	0.6
135.11681	2.5
137.05984	1.6
137.13239	1.6
139.03894	2.5
142.56728	0.5
145.10072	0.7
147.04433	2.9
147.07620	40.3
148.06023	4.0
148.07944	0.7
153.05489	0.8
159.07819	0.5
161.05940	1.0
161.13245	8.7
163.03923	4.8
163.07568	0.7
163.11197	1.9
165.05446	1.7
175.07542	3.0
177.08978	0.7
179.03291	1.0
179.14281	11.7
180.14348	0.6
181.12146	0.9
187.03885	0.6
189.05412	1.1
189.09181	0.8
191.03366	24.3
192.03709	2.0
196.16875	2.0
197.15297	1.2
203.03400	1.2
205.08545	2.3
212.08591	0.6
214.17964	2.4
215.03270	0.8
223.09567	2.3
233.04454	1.2
257.04453	1.1
259.06067	0.7
261.03714	0.9
262.17899	0.6
273.03879	4.4
279.06250	0.6
280.18982	1.9
285.03903	1.7
287.01825	0.8
287.16107	0.9
289.03244	1.0
297.07474	1.4
298.20062	0.8
300.09622	0.6
301.03271	2.6
301.06805	1.3
307.19968	1.3
308.18451	6.6
325.07104	5.2
325.10526	1.1
325.17947	0.9
325.21219	9.3
326.07281	0.8
326.19498	5.5
343.07983	19.1
343.11740	3.9
343.18805	5.1
343.22287	6.0
343.30533	2.0
344.08487	2.6
344.11887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.19
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
53.03926	0.3
55.01862	1.3
55.05505	1.4
57.07052	0.3
64.73940	0.1
65.03929	0.2
67.01846	0.1
67.05152	0.2
67.05489	2.3
68.99775	0.1
69.03415	1.0
69.06766	0.1
69.07059	1.8
70.96145	0.2
70.96483	0.2
71.04970	0.1
77.03895	0.3
79.05474	1.9
81.07046	3.3
83.01315	0.6
83.04944	0.2
83.08582	0.4
91.05460	3.4
93.07027	6.8
95.04951	0.8
95.08015	0.2
95.08594	2.0
97.06497	0.4
97.10130	0.2
103.05438	0.4
105.03361	0.2
105.06358	0.2
105.07016	3.2
107.01308	0.3
107.04930	1.8
107.08569	4.0
109.02863	0.3
109.06503	1.0
109.10137	2.6
111.04331	0.1
113.05982	0.3
115.05413	0.6
117.06988	1.6
119.04915	0.6
119.08560	2.4
120.05880	0.2
121.02865	0.2
121.06485	8.3
121.10116	1.3
122.06798	0.2
122.10878	0.2
123.04399	0.3
123.08065	0.8
123.11686	5.6
124.12025	0.2
126.23125	0.1
127.03848	0.2
128.06197	1.0
129.06990	1.7
131.04918	0.7
131.08528	1.0
132.05646	0.4
133.06474	1.8
133.10109	2.3
135.04379	0.4
135.08029	5.6
135.11681	2.7
136.08405	0.1
137.05969	0.3
139.03815	0.2
141.05341	0.1
141.06947	0.4
142.07724	0.4
143.08546	1.8
145.06390	0.9
145.10147	0.8
146.07150	0.2
147.04366	0.5
147.06870	0.3
147.08018	5.2
147.11650	0.5
148.08308	0.2
149.05960	2.2
149.09590	1.2
151.03899	0.7
151.07516	0.3
153.05383	0.5
153.06964	0.3
155.08525	0.6
157.06447	1.6
157.10069	0.7
158.07123	0.3
159.04399	0.4
159.08003	0.9
159.11664	0.2
160.05234	0.3
161.05957	5.6
161.09593	2.3
162.06630	0.2
163.03889	1.8
163.07516	2.4
165.05499	1.8
165.06874	0.3
166.07716	0.3
167.08519	0.4
169.06424	0.2
169.10039	0.3
171.08020	1.4
171.11655	0.3
173.05945	0.6
173.09589	1.0
174.06671	0.6
175.03894	0.6
175.07520	13.9
175.11075	0.4
176.07971	0.4
177.05426	2.3
177.09096	0.5
178.05812	0.2
178.07843	0.1
179.06998	0.6
179.08521	0.3
180.09160	0.2
181.04909	0.6
181.10069	0.4
182.07278	0.1
183.07993	0.6
183.11667	0.3
184.08788	0.3
185.05965	1.1
185.09537	0.7
185.13242	0.3
187.07555	0.8
187.11136	0.7
188.08047	0.2
189.05409	0.6
189.09084	2.8
191.07002	5.9
191.08731	0.3
192.07527	0.3
193.08553	0.6
193.10118	0.2
194.10941	0.3
195.06557	0.3
195.08078	0.3
195.11624	0.4
197.09586	0.6
198.10304	0.3
199.07516	2.5
199.11145	1.1
200.08379	0.2
201.09122	0.8
201.12709	0.3
202.06177	0.4
203.06993	26.9
204.07324	0.9
205.08568	4.3
206.08975	0.2
208.08795	0.3
209.08031	3.4
209.09555	0.2
210.10361	0.1
211.07527	0.3
211.11172	0.4
212.08221	0.4
213.09119	1.1
213.12692	0.9
215.06955	0.6
215.10591	1.0
217.08566	19.8
218.08954	0.6
219.10118	3.2
219.12143	0.2
220.10538	0.2
221.08047	13.7
221.11638	0.6
222.08351	0.5
222.10333	0.2
223.07556	0.2
223.09410	1.1
223.11444	0.2
225.09056	0.6
226.09837	0.9
227.07185	0.9
227.10619	3.7
228.07738	0.4
228.10992	0.2
229.08571	1.0
229.12187	0.2
230.09050	0.3
231.10184	1.0
231.13686	0.3
233.11678	0.2
235.09599	6.2
236.10066	0.2
237.12807	0.2
239.10812	0.7
240.62450	0.1
241.08568	7.3
241.12129	1.4
242.08981	0.5
243.10124	2.4
245.08051	0.2
245.11743	0.9
247.09488	0.2
251.10672	0.2
251.17842	0.3
253.12158	0.2
254.09288	0.2
254.13080	0.2
255.10080	1.1
255.13765	0.5
256.10678	0.2
257.11636	1.1
259.09595	1.9
261.11118	1.6
263.12796	0.2
264.15076	0.1
265.12143	0.6
265.15680	0.2
267.10159	0.4
267.13754	0.4
268.10965	0.2
269.11673	8.7
270.12009	0.4
273.11630	0.2
273.14813	1.4
275.16187	0.2
279.17340	0.2
281.11603	0.2
282.12515	1.4
283.13275	5.2
283.16605	0.4
284.13580	0.3
286.15079	0.2
287.12695	4.3
287.16141	1.8
288.13095	0.2
292.14420	0.3
295.13205	0.2
297.15393	0.2
297.18137	0.7
301.14261	0.3
307.16797	0.8
310.15573	0.2
325.17929	19.2
325.85553	0.2
326.18307	1.2
343.18961	100.0
344.19318	5.8
344.22833	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	343.19
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
53.03940	0.1
55.01860	1.5
55.05508	1.4
57.03411	0.2
57.07042	0.4
65.03916	0.2
67.05497	2.4
68.99744	0.1
69.03430	0.9
69.06735	0.2
69.07063	2.3
71.04975	0.3
77.03893	0.2
79.05480	1.9
81.03407	0.2
81.07045	4.3
83.01318	0.6
83.04966	0.2
83.08600	0.3
83.52496	0.1
91.05467	3.4
93.03384	0.2
93.07031	5.7
95.01321	0.2
95.04958	1.0
95.08593	1.9
97.06509	0.4
97.10155	0.2
100.75694	0.1
103.05440	0.5
105.03393	0.2
105.07019	3.7
107.01284	0.4
107.04954	1.4
107.08574	4.2
109.02840	0.3
109.06501	1.1
109.10137	2.9
111.04411	0.2
113.06014	0.3
115.05431	0.6
116.06202	0.2
117.06997	2.0
119.04910	0.7
119.08566	2.7
121.06487	8.4
121.10126	1.6
122.10882	0.1
123.04411	0.4
123.08066	0.6
123.11689	10.4
124.12057	0.2
127.03880	0.3
128.06186	1.2
129.06990	1.9
130.07681	0.2
131.04933	0.6
131.08566	1.0
132.05696	0.3
133.06479	2.3
133.10123	2.2
135.04391	0.7
135.08032	6.5
135.11674	2.9
137.05952	0.6
139.03911	0.3
141.06937	0.3
142.07758	0.3
143.08548	1.6
145.06464	0.9
145.10118	0.8
146.07237	0.3
147.04375	0.5
147.08035	5.4
147.11684	0.6
149.05959	2.5
149.09622	1.0
149.13208	0.2
151.03859	0.5
151.07507	0.5
153.05438	0.8
153.06734	0.2
154.07660	0.2
155.08575	0.6
156.09294	0.2
156.14581	0.1
157.06470	2.4
157.10078	0.7
158.07228	0.3
159.04410	0.2
159.08040	0.7
159.11615	0.2
160.05144	0.3
161.05959	6.8
161.09581	1.7
161.13254	0.2
162.06615	0.2
163.03868	1.7
163.07513	2.2
165.05479	3.9
165.06969	0.4
166.07695	0.3
167.08537	0.5
168.09340	0.1
169.06416	0.3
169.10121	0.3
171.08028	1.3
171.11713	0.3
172.08646	0.1
173.05949	0.6
173.09592	0.8
173.13322	0.1
174.06741	0.4
175.03932	0.6
175.07523	15.2
175.11115	0.4
176.07919	0.3
177.05463	2.3
177.09074	0.4
178.05800	0.2
179.03377	0.2
179.06995	0.9
179.08531	0.3
180.09239	0.3
181.04955	0.4
181.10130	0.3
183.06613	0.2
183.08032	0.5
183.11594	0.2
184.08804	0.2
185.05930	1.4
185.09572	0.5
185.13222	0.2
186.06725	0.3
187.07538	0.7
187.11095	0.8
189.05464	0.7
189.09077	2.5
191.07002	4.9
192.07576	0.2
193.08585	0.6
194.10883	0.3
195.06523	0.7
195.07996	0.2
195.11633	0.5
196.08827	0.1
197.09581	0.5
198.10316	0.3
199.07529	1.8
199.11159	0.9
200.08336	0.2
201.05432	0.2
201.09019	0.6
201.12741	0.2
202.06209	0.2
203.07001	34.7
204.07385	0.8
205.08571	4.5
208.08766	0.2
209.08034	2.9
209.09598	0.2
209.13170	0.2
211.07533	0.2
211.11136	0.4
212.08292	0.3
213.09091	1.0
213.12701	1.0
214.09744	0.2
215.07024	0.8
215.10631	0.8
217.08572	16.7
218.08914	0.5
219.10120	3.0
219.12093	0.2
221.08058	21.5
221.11668	1.8
222.08359	0.5
223.09523	1.5
223.55164	0.1
225.09067	0.4
226.09843	0.8
227.07126	1.1
227.10628	3.3
227.14067	0.2
228.07780	0.4
229.08522	1.1
229.12222	0.3
230.09070	0.1
231.10126	1.0
231.13698	0.3
233.07986	0.1
233.11794	0.2
235.09598	5.5
237.09099	0.2
237.12903	0.2
239.10631	0.5
241.08571	6.7
241.12169	1.3
242.09100	0.3
243.10135	2.2
245.08070	0.2
245.11743	0.9
249.11185	0.3
251.10681	0.4
254.09271	0.2
255.10196	1.1
255.13705	0.4
256.10825	0.2
257.11728	0.9
259.09644	1.8
259.13312	0.3
261.11179	1.7
265.12241	0.6
267.10135	0.4
267.13647	0.2
268.10764	0.2
269.11694	7.8
270.12125	0.3
273.14722	0.7
277.11890	0.1
279.17535	0.2
282.12509	1.2
283.13251	5.5
283.16522	0.4
287.12735	4.6
287.16275	3.1
292.14551	0.2
295.13303	0.3
297.15036	0.2
297.18491	0.4
301.14294	0.4
307.16861	1.1
310.15491	0.1
325.17938	17.0
326.18298	0.9
343.18979	100.0
343.22363	4.0
344.19339	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	343.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01855	1.7
55.05505	2.6
57.07042	1.4
67.05490	4.1
69.03395	0.9
69.07055	22.8
70.89915	0.9
70.90249	0.4
71.04968	0.4
74.14465	0.4
74.33020	0.4
79.05480	2.8
81.03398	0.9
81.07043	9.9
83.01318	2.6
83.04933	0.5
83.08578	0.8
91.04931	0.5
91.05466	5.0
92.79266	0.4
93.06449	0.4
93.07031	8.4
95.04948	1.0
95.08579	4.2
97.06506	0.4
97.10128	1.5
103.05402	0.4
103.38535	0.3
105.06356	0.5
105.07008	5.2
107.04915	0.7
107.08581	8.6
109.02843	2.3
109.06514	2.5
109.10139	6.2
111.11674	1.4
113.05976	0.4
117.06974	1.4
117.33379	0.4
119.04915	0.6
119.08578	2.8
121.06470	5.1
121.10114	2.3
123.04360	0.7
123.11684	26.9
125.05986	0.6
127.03880	1.9
129.06975	1.1
131.08530	1.1
133.06459	1.6
133.10110	4.1
135.08038	4.5
135.11661	9.2
137.05960	6.0
139.03868	0.4
141.05402	0.5
143.08469	0.6
145.10083	0.6
147.04309	0.6
147.08032	3.6
147.11673	1.2
149.05952	3.5
149.09566	1.0
151.03903	0.8
151.07474	1.2
151.08618	0.4
153.05434	10.5
157.06456	1.9
157.10033	0.4
159.08012	1.1
160.05193	0.5
161.05963	5.5
161.09563	0.8
162.06688	0.5
163.03850	1.0
163.07556	2.8
165.05444	80.8
166.05794	1.1
167.06969	0.8
171.08002	0.7
175.07515	9.0
175.11171	1.1
177.05426	6.8
177.09058	3.2
179.06999	6.7
183.06464	1.4
183.07991	0.4
185.05910	0.9
185.09529	0.8
185.13092	0.4
187.07486	0.8
189.05438	7.3
189.07222	0.4
189.09087	2.9
191.05334	0.6
191.06996	7.5
192.07608	0.4
193.08488	2.2
195.06451	0.5
197.09618	0.5
199.11137	0.6
201.09070	0.6
203.06993	48.5
203.10674	1.7
204.07472	1.2
205.08562	13.0
205.12148	3.2
207.10120	1.3
209.07983	0.5
209.11642	1.0
213.09058	1.1
213.12685	0.8
215.06998	0.4
215.10687	0.6
216.07793	1.3
217.08578	6.1
217.12041	0.7
219.10127	3.8
219.13734	0.4
221.08148	22.6
221.11668	47.6
222.08435	0.6
222.12091	0.9
223.09598	5.7
226.09854	0.4
227.10648	1.9
229.08554	1.0
231.10112	10.4
232.10774	0.6
233.11638	1.1
235.09590	1.0
239.10818	0.7
241.08513	1.1
241.12209	0.7
243.10150	2.4
244.10881	0.9
245.11635	5.6
245.15474	0.4
247.13281	0.9
251.14357	0.4
255.10178	0.5
256.10880	0.6
257.11624	0.8
259.13272	5.7
259.16864	1.2
261.11172	0.9
261.14743	1.0
265.12088	0.4
269.11679	1.8
269.15234	3.6
273.14804	3.2
274.15601	0.7
275.16385	4.8
282.12476	0.8
283.13223	1.7
287.16364	66.2
288.16690	1.5
297.18475	0.5
301.14209	1.0
301.17941	1.0
307.16827	1.0
310.15503	0.5
315.22824	0.5
315.59509	0.4
325.17987	8.0
325.21616	0.6
343.18884	48.0
343.22610	100.0
344.19238	2.8
344.22922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.01855	1.7
55.05505	2.6
57.07042	1.4
67.05490	4.1
69.03395	0.9
69.07055	22.8
70.89915	0.9
70.90249	0.4
71.04968	0.4
74.14465	0.4
74.33020	0.4
79.05480	2.8
81.03398	0.9
81.07043	9.9
83.01318	2.6
83.04933	0.5
83.08578	0.8
91.04931	0.5
91.05466	5.0
92.79266	0.4
93.06449	0.4
93.07031	8.4
95.04948	1.0
95.08579	4.2
97.06506	0.4
97.10128	1.5
103.05402	0.4
103.38535	0.3
105.06356	0.5
105.07008	5.2
107.04915	0.7
107.08581	8.6
109.02843	2.3
109.06514	2.5
109.10139	6.2
111.11674	1.4
113.05976	0.4
117.06974	1.4
117.33379	0.4
119.04915	0.6
119.08578	2.8
121.06470	5.1
121.10114	2.3
123.04360	0.7
123.11684	26.9
125.05986	0.6
127.03880	1.9
129.06975	1.1
131.08530	1.1
133.06459	1.6
133.10110	4.1
135.08038	4.5
135.11661	9.2
137.05960	6.0
139.03868	0.4
141.05402	0.5
143.08469	0.6
145.10083	0.6
147.04309	0.6
147.08032	3.6
147.11673	1.2
149.05952	3.5
149.09566	1.0
151.03903	0.8
151.07474	1.2
151.08618	0.4
153.05434	10.5
157.06456	1.9
157.10033	0.4
159.08012	1.1
160.05193	0.5
161.05963	5.5
161.09563	0.8
162.06688	0.5
163.03850	1.0
163.07556	2.8
165.05444	80.8
166.05794	1.1
167.06969	0.8
171.08002	0.7
175.07515	9.0
175.11171	1.1
177.05426	6.8
177.09058	3.2
179.06999	6.7
183.06464	1.4
183.07991	0.4
185.05910	0.9
185.09529	0.8
185.13092	0.4
187.07486	0.8
189.05438	7.3
189.07222	0.4
189.09087	2.9
191.05334	0.6
191.06996	7.5
192.07608	0.4
193.08488	2.2
195.06451	0.5
197.09618	0.5
199.11137	0.6
201.09070	0.6
203.06993	48.5
203.10674	1.7
204.07472	1.2
205.08562	13.0
205.12148	3.2
207.10120	1.3
209.07983	0.5
209.11642	1.0
213.09058	1.1
213.12685	0.8
215.06998	0.4
215.10687	0.6
216.07793	1.3
217.08578	6.1
217.12041	0.7
219.10127	3.8
219.13734	0.4
221.08148	22.6
221.11668	47.6
222.08435	0.6
222.12091	0.9
223.09598	5.7
226.09854	0.4
227.10648	1.9
229.08554	1.0
231.10112	10.4
232.10774	0.6
233.11638	1.1
235.09590	1.0
239.10818	0.7
241.08513	1.1
241.12209	0.7
243.10150	2.4
244.10881	0.9
245.11635	5.6
245.15474	0.4
247.13281	0.9
251.14357	0.4
255.10178	0.5
256.10880	0.6
257.11624	0.8
259.13272	5.7
259.16864	1.2
261.11172	0.9
261.14743	1.0
265.12088	0.4
269.11679	1.8
269.15234	3.6
273.14804	3.2
274.15601	0.7
275.16385	4.8
282.12476	0.8
283.13223	1.7
287.16364	66.2
288.16690	1.5
297.18475	0.5
301.14209	1.0
301.17941	1.0
307.16827	1.0
310.15503	0.5
315.22824	0.5
315.59509	0.4
325.17987	8.0
325.21616	0.6
343.18884	48.0
343.22610	100.0
344.19238	2.8
344.22922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.19
Annotation	(5R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Peak:m/z	Relative Intensity
53.03935	0.5
55.01861	1.1
55.05501	2.3
57.03427	0.2
57.07050	0.9
64.95239	0.2
65.03922	0.6
66.00111	0.2
67.05492	3.5
69.03411	1.0
69.07056	10.0
70.13825	0.4
70.14245	0.7
71.04975	0.5
79.05480	3.8
81.03395	0.6
81.07043	7.3
83.01325	3.7
83.04966	0.3
83.08605	0.5
91.05469	8.6
93.07029	8.9
95.04949	1.6
95.08593	3.9
97.06491	0.4
97.10148	0.4
102.26969	0.2
103.05464	0.5
103.41225	0.2
105.07011	12.6
106.07315	0.3
107.04939	0.8
107.08574	19.9
107.80442	0.2
108.08939	0.2
109.02875	1.6
109.06498	3.1
109.10138	6.3
111.11698	0.6
113.05975	0.9
115.05465	0.5
116.06207	0.3
117.07023	1.3
119.04901	0.6
119.06041	0.4
119.08554	2.4
121.06483	4.3
121.10123	3.2
122.10912	0.2
123.04404	0.6
123.08064	0.8
123.11684	21.0
124.12017	0.4
125.05989	0.3
127.03889	1.2
128.06192	0.3
129.06976	0.9
131.08537	2.7
133.06480	1.7
133.10107	16.7
135.04413	0.5
135.08029	4.7
135.11670	10.0
137.05965	3.6
139.03859	0.5
142.07745	0.3
143.08527	1.0
144.05632	0.3
145.06450	0.5
145.10094	1.0
147.04390	0.4
147.08028	2.5
147.11647	1.1
149.05966	1.8
149.09601	2.2
149.13202	0.2
151.03857	0.5
151.07539	0.8
153.05446	6.6
157.06461	1.3
157.10146	0.8
157.67041	0.2
159.08043	2.7
159.11685	0.3
161.04662	0.4
161.05952	4.0
161.09593	0.8
162.06741	2.0
163.03886	0.6
163.07515	4.7
165.05450	52.6
166.05746	0.4
167.06999	0.6
171.08003	0.5
173.09586	0.8
175.07523	6.8
175.11154	2.2
176.08253	0.6
177.05475	3.8
177.09081	6.1
179.03461	0.2
179.07024	3.1
179.08440	0.3
181.08580	0.3
181.10063	0.2
183.06517	0.5
185.05922	0.8
185.09575	0.6
185.13197	0.4
187.07535	1.8
187.11082	0.3
188.08186	0.3
189.05431	3.5
189.09077	2.6
189.12584	0.2
190.06204	0.5
191.06998	6.1
191.10582	0.7
192.07724	0.6
193.08562	1.3
195.06509	0.7
195.08125	0.2
195.11664	0.4
199.07475	0.4
199.11165	0.5
201.09052	1.1
201.12813	0.2
203.07002	27.6
203.10669	1.4
204.07510	0.7
205.08572	34.3
205.12239	1.7
206.08957	1.0
207.10175	0.9
209.07974	0.3
209.11690	1.8
209.13121	0.2
212.08340	0.2
213.09084	1.2
213.12708	0.7
215.07037	0.5
215.10664	0.5
216.07770	0.5
217.08543	2.8
217.12184	0.7
219.10129	3.1
220.10304	0.3
221.08121	15.8
221.11661	22.8
222.08394	0.3
222.12105	0.4
223.09596	18.2
224.09996	0.3
225.09027	0.5
226.09906	0.3
227.10670	1.5
227.14291	0.6
229.08559	1.6
229.12106	0.3
230.09235	0.3
231.10098	5.5
232.10973	0.4
233.11723	0.7
235.09560	0.3
237.10919	0.5
237.12822	0.7
239.10655	0.7
239.14314	0.2
240.11432	0.5
241.08638	0.4
241.12195	0.9
241.15840	0.2
243.10173	1.3
244.10793	0.3
245.11708	3.6
245.15411	0.3
247.13269	0.3
249.11162	0.7
251.14412	0.3
251.17976	0.8
253.12254	0.4
254.09441	0.2
255.10092	0.4
255.13724	1.3
256.10956	0.5
257.11664	1.3
259.13297	3.0
259.16931	0.7
261.11310	0.4
261.14651	0.3
263.12823	0.6
264.14957	0.3
265.12207	1.4
267.10144	0.5
267.13748	0.5
268.10883	0.5
269.11987	1.5
269.15207	2.2
272.14093	0.7
273.14832	2.7
274.15509	0.3
275.16519	1.3
277.12238	0.5
279.17432	0.6
281.11649	0.5
282.12445	0.5
282.15839	0.3
283.13312	3.1
283.16638	0.5
287.16367	38.8
288.16702	0.8
292.14526	0.5
295.13211	1.3
296.14020	0.3
297.14798	0.5
297.18439	1.5
301.14316	2.0
301.17883	0.5
307.16940	2.4
310.15396	1.3
315.15945	0.4
315.19534	0.6
325.17938	14.4
326.18314	0.4
343.18945	100.0
343.22705	46.8
344.19299	3.5
344.23090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1899
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
51.02376	0.1
53.03949	0.1
55.01874	0.4
55.05503	0.9
57.03430	0.3
61.30130	0.1
65.03933	0.5
67.05495	2.9
69.03413	1.0
69.07057	1.1
69.85095	0.9
70.27596	0.1
71.04976	0.8
79.05480	2.2
81.03389	0.3
81.07045	2.2
83.01325	5.6
83.04958	0.3
85.02884	0.4
85.06509	0.2
91.05466	5.5
92.71329	0.1
93.07031	4.3
95.04939	0.8
95.08591	6.7
97.06503	0.2
100.86161	0.1
103.05426	0.3
105.03370	0.2
105.07015	11.3
107.04942	0.4
107.08573	12.3
108.08914	0.3
109.02863	0.4
109.06499	1.4
109.10137	2.5
111.04427	0.2
113.05984	0.9
115.05432	0.4
116.06204	0.2
117.06986	1.0
118.07780	0.2
119.04962	0.3
119.06001	0.2
119.08573	1.8
121.02824	0.2
121.06492	3.3
121.10130	7.2
123.04448	0.5
123.08050	1.0
123.11683	3.1
125.06027	0.2
128.06183	0.3
129.06984	0.6
131.08553	3.2
133.06473	0.5
133.10110	19.1
134.10403	0.3
135.04416	0.2
135.08040	4.8
135.11702	0.8
137.05942	0.7
139.03868	0.3
139.07510	0.2
141.05484	0.2
141.06853	0.2
141.87021	0.1
142.07764	0.3
143.08548	0.9
144.05617	0.2
145.06407	0.4
145.10089	0.9
145.35266	0.2
146.07253	0.2
147.04385	0.2
147.08022	0.4
147.11690	1.0
149.05951	1.2
149.09592	3.6
151.07539	0.5
153.05455	1.3
155.08453	0.2
156.09258	0.2
157.06438	0.3
157.10126	0.7
159.06721	0.3
159.08025	4.6
159.11697	0.4
160.08580	0.1
161.05937	0.8
161.09662	0.7
162.06740	4.3
163.07516	8.1
164.07939	0.2
165.05461	5.7
165.09123	0.2
166.05801	0.1
167.07022	0.3
167.08528	0.2
169.10042	0.2
171.07997	0.5
171.11691	0.3
173.09555	1.0
175.07523	0.9
175.11163	3.8
176.08202	0.3
177.05482	0.6
177.09091	12.8
178.06253	0.2
178.09435	0.3
179.07019	1.3
179.08502	0.3
180.09198	0.2
181.08546	0.6
181.10109	0.4
183.08058	0.3
183.11636	0.2
185.08112	0.2
185.09550	0.7
185.13200	0.4
187.07509	4.2
187.11087	0.2
187.14783	0.3
189.05444	0.7
189.09038	1.1
190.06239	0.4
191.07018	3.1
191.10622	0.6
192.07817	0.7
193.08531	0.6
194.10860	0.3
195.06494	0.6
195.11703	0.4
197.08061	0.3
197.09636	0.2
199.07471	0.3
199.11182	0.5
200.03450	0.1
201.09064	0.6
203.06990	1.7
203.10641	1.2
203.14215	0.2
204.07748	0.3
205.08572	61.6
206.08939	1.7
207.06551	0.5
208.12611	0.1
209.07925	0.2
209.09828	0.1
209.11485	0.2
209.13353	0.8
211.07697	0.2
211.09578	0.3
212.08223	0.3
213.09166	0.8
213.12744	0.6
214.09651	0.2
215.07057	0.3
215.10724	0.3
217.08611	0.9
217.12167	0.5
218.09227	0.3
219.10106	2.1
221.08066	0.5
221.11630	2.9
222.10358	0.3
223.09613	71.2
224.09947	1.7
225.09091	0.4
225.12770	0.2
226.09819	0.6
227.10649	1.0
227.14204	0.2
229.08559	0.8
229.12129	0.3
230.09306	0.4
231.10080	2.5
231.13742	0.3
233.11610	0.3
235.09636	0.4
236.11789	0.2
237.08852	0.2
237.10776	1.0
237.13022	0.4
239.10635	0.5
240.11409	0.6
241.08478	0.4
241.12187	2.1
243.10210	1.0
245.07970	0.3
245.11755	1.0
246.14015	0.3
247.09517	0.3
249.11096	3.8
250.09798	0.2
250.13783	0.2
251.10617	0.2
251.14499	0.2
251.17889	1.2
253.12207	0.4
254.09346	0.7
254.12790	0.2
255.10129	0.6
255.13756	1.6
256.10864	0.5
257.11639	0.6
259.13235	0.4
261.11224	0.5
263.10300	0.3
263.12961	0.6
264.15033	0.5
265.12161	2.4
265.15201	0.2
267.10165	0.4
267.13782	0.4
268.10919	0.6
269.11694	7.7
269.15152	0.6
270.12125	0.4
272.14001	0.6
273.14792	1.5
275.16467	0.2
277.12219	1.2
279.17389	1.3
281.11792	0.3
282.12500	0.3
282.16074	0.3
283.13260	4.8
283.16544	0.3
287.12741	2.2
287.16345	3.4
289.15891	0.3
291.13916	0.3
292.14511	1.1
295.13211	0.4
296.13962	0.3
297.14850	0.6
297.18445	1.5
301.14285	5.3
302.14667	0.3
307.16895	3.8
308.17288	0.2
310.15689	0.7
315.15887	0.8
315.19147	0.2
325.17926	15.3
326.18427	0.7
327.09683	0.1
342.37012	0.2
343.18982	100.0
343.22455	3.9
344.19333	4.1
344.23346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1897
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
55.01843	0.2
55.05483	0.7
57.07040	0.2
65.03903	0.4
65.24186	0.2
67.05190	0.2
67.05495	2.8
68.59986	0.2
69.03394	0.7
69.07042	0.3
69.56472	1.8
71.04984	0.9
79.05479	1.7
81.07033	1.4
83.00847	0.3
83.01321	4.5
85.02843	0.2
85.52508	0.2
91.04915	0.4
91.05459	5.7
93.07017	3.5
95.04958	0.9
95.08587	8.1
103.05444	0.3
105.07007	10.8
106.07303	0.2
107.04938	0.3
107.08569	14.5
108.08894	0.3
109.06508	1.0
109.09476	0.3
109.10135	2.6
113.05969	0.8
117.06953	0.7
119.04890	0.2
119.06100	0.2
119.08561	1.6
121.06488	2.2
121.10113	3.2
123.04390	0.3
123.08025	0.7
123.77290	0.2
126.96709	0.2
128.06157	0.3
129.06944	0.5
131.08548	2.5
133.06441	0.5
133.10101	15.0
134.10419	0.2
135.08032	3.2
135.11633	0.2
137.05913	0.3
139.03836	0.3
141.05388	0.3
143.08557	0.8
145.06439	0.4
145.10077	0.8
147.11670	1.2
148.64323	0.2
149.05922	0.9
149.09607	2.5
151.07538	0.5
153.05434	0.7
155.08469	0.2
157.10059	0.9
159.08035	3.4
160.08797	0.2
161.05907	0.4
161.09578	0.8
162.06715	3.3
163.07515	4.6
163.11203	0.3
165.05458	0.7
165.09131	0.3
167.08524	0.2
169.10071	0.2
171.08035	0.3
171.11597	0.3
173.09544	0.7
174.06607	0.2
175.07520	0.4
175.11165	3.8
176.08286	0.4
177.05429	0.5
177.09076	8.2
178.06256	0.3
179.06967	1.0
179.08386	0.3
181.08490	0.3
181.10095	0.3
185.07983	0.3
185.09583	0.6
185.13168	0.4
187.07513	3.0
188.08220	0.2
189.09055	1.0
190.06192	0.6
191.00476	0.2
191.06979	2.9
191.10643	0.6
192.07758	0.7
193.08557	0.8
193.10150	0.3
194.10838	0.3
195.06436	0.6
195.11665	0.7
197.07997	0.3
199.11253	0.2
201.09068	0.5
203.07014	0.8
203.10637	1.5
205.08559	45.9
206.08911	1.3
209.09528	0.3
209.13194	0.7
211.09535	0.3
212.08247	0.2
212.11855	0.2
213.09058	0.5
213.12666	0.6
215.10628	0.2
216.07840	0.2
217.08551	0.7
217.12193	0.4
219.10057	2.2
219.11740	0.2
221.08014	0.5
221.13351	0.4
222.10248	0.2
223.09598	46.9
224.09984	1.4
226.09845	0.4
227.10670	1.0
227.14218	0.2
229.08452	0.8
229.12091	0.2
230.09346	0.4
231.10069	2.5
231.13660	0.3
235.07442	0.2
235.09634	0.5
237.10783	1.5
237.12894	0.7
239.10632	0.4
240.11481	0.4
241.08606	0.4
241.12169	1.1
243.10127	0.7
245.08037	0.2
245.11688	1.0
249.11105	4.9
250.09789	0.3
251.14246	0.4
251.17963	1.1
253.12177	0.3
254.09311	0.4
255.10147	0.4
255.13789	1.2
256.10818	0.3
257.11575	0.7
261.11176	0.3
261.16287	0.2
263.12784	0.5
264.15128	0.6
265.12140	2.2
266.12708	0.2
267.10114	0.5
267.13760	0.3
268.10800	0.5
269.11703	5.2
269.15009	0.5
270.12216	0.3
271.13275	0.2
272.13953	0.5
273.11581	0.2
273.14572	0.9
277.12213	1.2
278.12970	0.2
279.14413	0.2
279.17392	1.0
281.11600	0.3
282.12366	0.3
282.15939	0.2
283.13254	4.7
283.16580	0.4
287.12704	1.5
287.16232	1.1
289.15756	0.4
291.13797	0.4
292.14566	1.6
295.13293	0.5
296.14063	0.3
297.14755	0.7
297.18402	1.5
301.14270	6.5
307.13864	0.1
307.16858	4.2
308.17197	0.3
310.15543	0.4
315.15918	1.0
315.19064	0.2
325.17914	13.3
326.18277	0.8
342.37195	0.8
343.18961	100.0
343.37491	1.2
344.19333	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	343.19
Annotation	3,3'-Dihydroxy-4,5'-dimethoxy-2-isopentenylbibenzyl
Peak:m/z	Relative Intensity
51.19182	0.1
53.03941	0.3
55.01861	0.7
55.05504	2.4
57.03420	0.5
57.07061	0.6
65.03942	0.6
67.05497	3.7
68.99791	0.2
69.03429	1.4
69.07058	1.7
71.04982	0.9
77.03927	0.3
79.05480	3.0
81.03426	0.2
81.07044	8.0
83.01329	4.9
83.04971	12.7
83.08599	0.3
85.02894	0.4
85.06521	0.2
91.04999	0.1
91.05465	7.5
93.07031	4.6
95.04971	1.0
95.08594	8.6
97.06508	0.5
99.08079	0.3
103.05458	0.3
105.07014	13.8
106.07297	0.2
107.04924	0.5
107.08579	17.6
108.08886	0.2
109.02858	0.2
109.06508	3.6
109.10137	4.6
111.04399	0.7
111.08074	0.2
113.05992	0.9
115.05456	0.6
116.06235	0.3
117.07011	1.1
117.23588	0.1
118.07774	0.3
119.04926	0.4
119.06072	0.3
119.08570	2.8
121.06492	3.2
121.10128	4.5
123.04404	1.3
123.08080	1.2
123.11689	24.4
125.05989	0.5
128.06218	0.3
129.07018	0.7
129.07845	0.2
130.07739	0.2
131.08554	3.1
133.06488	1.3
133.10114	18.4
134.10463	0.2
135.04408	0.7
135.08037	3.4
135.11685	2.5
137.05959	17.0
137.09595	0.6
137.13303	0.2
139.03885	2.0
139.07561	0.2
141.05457	0.3
141.06970	0.2
142.07805	0.7
143.08572	0.9
144.05687	0.1
145.06476	0.5
145.10117	1.0
146.07265	0.4
147.04401	0.4
147.08051	0.7
147.11652	2.9
149.05966	1.1
149.09592	3.3
151.03896	0.9
151.07532	1.8
151.11221	0.2
153.05429	2.7
155.07005	3.1
155.08395	0.2
157.10106	1.7
159.08028	3.1
159.11679	0.4
160.08806	0.5
161.05957	1.1
161.09561	1.2
162.06735	2.8
163.07521	5.8
163.11082	0.2
165.05466	4.9
165.09091	0.7
165.12729	0.5
167.07028	0.4
167.08484	0.2
169.10147	0.2
171.08043	0.4
171.11668	0.4
173.06024	0.2
173.09604	1.3
175.07591	1.4
175.11171	7.3
176.08293	0.4
176.11469	0.2
177.05534	0.6
177.09088	10.2
178.06226	0.3
179.06984	1.0
179.08446	0.3
179.10678	0.3
180.09247	0.2
181.08582	0.3
181.10114	0.4
183.08026	0.2
183.11649	0.3
185.08134	0.3
185.09595	1.3
185.13208	0.5
187.07523	3.2
187.11188	0.4
187.14813	0.2
188.08232	0.5
189.09090	1.5
189.12752	0.3
190.06226	0.3
191.07008	4.0
191.10622	0.8
192.07727	1.0
193.08601	1.0
193.10199	0.3
193.12177	1.4
194.10852	0.4
195.06473	0.8
195.11688	0.5
196.12373	0.2
197.08018	0.3
197.09621	0.3
197.13255	0.2
199.07567	0.3
199.11153	0.4
201.09103	0.7
201.12688	0.2
203.07104	0.8
203.10657	4.3
205.08577	45.7
206.08920	1.1
207.08138	0.3
207.09984	0.3
207.11758	0.2
209.09628	0.3
209.11455	0.2
209.13353	0.8
211.07449	0.2
211.09561	0.4
211.11267	0.3
212.08195	0.2
213.09171	0.9
213.12730	0.9
214.09795	0.2
215.06973	0.2
215.10597	0.3
216.07829	0.2
217.08638	0.9
217.12192	0.5
219.10100	2.6
221.08385	2.5
221.11693	18.1
222.10254	0.3
222.12164	0.3
222.13982	0.2
223.09618	44.6
224.09975	1.3
225.09103	0.3
226.07739	0.1
226.09851	0.6
227.10686	1.0
227.14319	0.3
229.08572	0.9
229.12236	0.2
230.09268	0.4
231.06496	0.2
231.10109	2.8
231.13771	0.3
231.17346	0.3
232.10794	0.2
233.11591	0.4
235.09660	0.4
235.13091	0.7
236.11900	0.2
237.11102	1.0
237.12788	0.9
237.16359	0.3
239.10651	0.6
240.11366	0.4
241.08514	0.3
241.12242	1.4
241.15871	0.4
243.10152	0.9
245.08078	0.6
245.11710	1.4
246.14230	0.2
247.09514	0.3
249.11131	5.1
249.14969	0.3
250.09621	0.3
251.10512	0.2
251.14369	0.3
251.17973	1.2
253.08600	0.2
253.12228	0.4
254.09361	0.3
254.12863	0.3
255.10170	0.4
255.13739	1.7
255.16730	0.2
255.17160	0.2
256.10840	0.4
257.11606	0.7
259.13208	0.3
259.16983	0.2
261.11130	0.4
261.16293	0.3
263.12799	0.8
264.15112	0.6
265.12167	2.0
265.15778	0.4
267.10141	0.6
267.13882	0.4
268.10950	0.7
269.11700	5.6
269.15149	0.7
270.12326	0.5
272.13986	0.3
273.14774	1.1
275.16321	0.4
277.12228	1.4
278.12964	0.2
279.17413	1.1
281.11688	0.4
281.15198	0.2
282.12402	0.4
282.15884	0.2
283.13281	4.7
283.16791	0.7
284.13535	0.2
287.12717	1.6
287.16339	1.2
288.13373	0.2
289.15738	0.5
291.13739	0.6
292.14532	1.4
293.15247	0.2
295.12997	0.7
296.14011	0.2
297.14838	0.9
297.18427	1.6
301.14313	6.7
301.17776	0.3
302.14767	0.3
307.16913	4.1
307.20245	0.3
308.17099	0.3
310.15512	0.7
315.15808	1.1
315.19345	0.2
325.17972	14.2
325.21533	1.3
326.18314	0.6
343.18915	100.0
343.22681	37.7
344.19257	4.4
344.23038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1899
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
50.57804	0.2
53.03941	0.5
55.01868	0.8
55.05507	1.6
57.03422	0.3
57.07057	1.0
65.03931	0.5
67.05492	3.8
69.03413	1.2
69.07057	6.1
69.64104	1.7
71.04974	0.9
74.84135	0.2
79.05482	2.4
81.03388	0.8
81.07048	6.8
83.01322	5.7
83.04958	0.5
85.02867	0.3
91.05463	6.7
93.07030	5.2
95.04951	1.2
95.08588	6.9
97.06525	0.3
97.10155	0.4
103.05455	0.2
105.03397	0.2
105.07014	12.2
107.04859	0.4
107.08576	17.0
109.02876	1.4
109.06503	2.8
109.10137	3.9
111.04429	0.2
111.11691	0.4
112.92062	0.2
113.05986	0.8
115.05420	0.4
117.06995	0.7
117.07824	0.2
119.04927	0.4
119.08570	1.8
121.06499	3.1
121.10110	4.4
123.04400	0.8
123.08031	0.8
123.11688	22.2
125.05931	0.3
127.03870	0.9
128.06151	0.3
129.06987	0.6
131.08539	3.7
133.06482	0.8
133.10109	15.2
135.08035	4.9
135.11670	3.0
137.05960	2.9
139.03908	0.4
139.07495	0.3
141.05431	0.4
142.07758	0.5
143.08521	0.9
145.06439	0.8
145.10088	1.0
146.07248	0.2
147.04317	0.4
147.08014	0.5
147.11664	1.7
149.05998	1.4
149.09599	4.3
151.03922	0.4
151.07486	0.8
153.05435	6.4
157.10104	1.0
159.08028	4.9
159.09319	0.3
161.05997	1.4
161.09601	0.6
162.06752	4.9
163.07512	8.6
163.11201	0.2
164.07983	0.2
165.05450	35.5
166.05795	0.3
167.07063	0.6
167.08492	0.2
169.10130	0.3
171.08009	0.7
173.05952	0.2
173.09550	1.2
175.07529	1.6
175.11156	4.8
176.08333	0.3
177.05495	2.3
177.09084	13.0
178.06177	0.3
178.09460	0.5
179.07036	2.7
179.08492	0.4
181.08563	0.5
181.10069	0.3
183.06514	1.0
185.08112	0.2
185.09560	1.2
185.13216	0.6
187.07526	4.3
187.14731	0.2
189.05446	3.3
189.09096	1.7
190.06204	0.8
190.09705	0.2
191.07013	4.7
191.10623	0.8
192.07732	0.9
193.08537	1.0
194.10847	0.4
195.06461	0.5
195.11667	0.8
197.09656	0.2
199.07516	0.4
199.11064	0.3
201.09097	0.7
203.06989	5.0
203.10623	2.1
204.07790	0.3
205.08566	64.9
206.08932	1.6
207.09879	0.4
209.09763	0.3
209.11514	0.5
209.13251	0.6
211.09517	0.3
213.09253	1.1
213.12683	0.8
214.09898	0.3
215.07045	0.3
215.10786	0.3
215.21359	0.2
217.08577	1.9
217.12175	0.3
218.09154	0.3
219.10095	2.9
221.11690	24.0
222.12140	0.4
223.09613	67.6
224.10020	1.7
225.09087	0.5
226.09814	0.5
227.10570	1.4
227.14294	0.5
229.08575	1.2
229.12285	0.4
230.09348	0.3
231.10115	4.8
231.13718	0.4
233.11571	0.5
235.09514	0.4
237.11081	0.9
237.12749	0.9
239.10593	0.6
239.14215	0.3
240.11322	0.6
241.08627	0.4
241.12170	1.5
241.15778	0.4
243.10164	0.9
243.13712	0.3
245.07866	0.3
245.11638	2.6
247.09450	0.4
249.11125	4.8
251.14499	0.4
251.17892	1.0
253.53468	0.2
254.09296	0.3
254.13062	0.3
255.10133	0.7
255.13702	1.4
256.10953	0.5
257.11578	0.7
259.13171	1.5
261.11288	0.3
261.14624	0.4
263.12665	0.4
264.15192	0.3
265.12234	1.6
267.10101	0.6
268.10861	0.5
269.11694	8.5
269.15182	1.3
270.12143	0.6
271.12973	0.2
272.13867	0.4
273.14893	1.8
275.16385	1.7
277.12149	0.8
279.17407	1.1
281.11542	0.4
282.12369	0.4
282.16129	0.4
283.13275	4.2
284.13718	0.2
287.12762	2.0
287.16333	17.5
288.16669	0.3
291.13760	0.3
292.14441	1.0
295.13147	0.7
296.13950	0.3
297.14792	0.6
297.18356	1.1
301.14291	5.5
301.17365	0.2
307.16827	3.0
310.15594	0.6
315.15756	0.8
325.17935	13.0
326.18161	0.5
342.37140	0.3
343.18909	100.0
343.22656	26.8
344.19254	4.2
344.22943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1901
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
51.02371	0.1
53.03934	0.1
55.01861	0.3
55.05497	0.6
57.03412	0.2
61.46755	0.1
65.03920	0.3
67.05144	0.1
67.05491	2.2
69.03415	0.9
69.07043	0.4
69.70534	0.7
71.04973	0.6
71.80741	0.1
77.03913	0.1
79.05476	1.5
81.07044	1.1
83.01324	4.9
83.04975	0.3
85.02885	0.3
85.06547	0.1
91.05463	4.6
93.06437	0.1
93.07028	2.9
95.04959	0.6
95.08588	5.8
96.08907	0.1
97.06517	0.2
98.49241	0.1
99.04415	0.1
103.05441	0.3
105.03352	0.1
105.07008	8.6
106.07317	0.2
107.04923	0.3
107.08572	10.4
108.08891	0.2
109.02857	0.1
109.06503	1.0
109.10129	1.9
111.04427	0.2
111.94038	0.1
113.05988	0.6
115.05429	0.4
116.06251	0.2
117.06974	0.8
118.07800	0.1
119.04927	0.2
119.06044	0.2
119.08556	1.2
121.06488	2.5
121.10114	4.8
123.04384	0.3
123.08044	0.9
125.06041	0.1
128.06175	0.2
129.06972	0.4
130.07774	0.1
131.08545	2.7
133.06496	0.5
133.10103	11.3
134.07248	0.1
134.10435	0.3
135.04373	0.1
135.08028	4.1
135.09077	0.2
135.11603	0.1
137.05956	0.3
137.09601	0.2
139.03876	0.3
139.07481	0.1
141.05420	0.3
141.06898	0.2
142.07733	0.3
143.08533	0.6
144.05717	0.2
145.06485	0.2
145.10101	0.7
146.07246	0.2
146.10898	0.1
147.04353	0.3
147.07977	0.3
147.11667	1.1
149.05946	0.9
149.09586	3.5
151.07538	0.5
153.05463	0.6
155.06961	0.2
155.08437	0.1
157.04906	0.1
157.06451	0.1
157.10092	0.6
159.08022	4.2
159.11649	0.3
160.08597	0.2
161.05952	0.4
161.09575	0.6
162.06729	4.0
163.07510	7.1
165.05426	0.4
165.06731	0.1
165.09155	0.2
166.88776	0.1
167.07010	0.3
167.08493	0.2
169.09998	0.1
171.08018	0.3
171.11633	0.3
173.06046	0.1
173.09599	1.1
175.07570	0.6
175.11154	3.3
176.08304	0.3
176.11383	0.1
177.05663	0.6
177.09079	12.4
178.09399	0.3
179.06979	0.9
179.08472	0.2
181.08534	0.4
181.10052	0.2
183.11597	0.2
185.08092	0.2
185.09608	0.6
185.13203	0.4
187.07513	4.0
187.11131	0.1
188.08113	0.2
189.09067	1.0
190.06192	0.4
190.98468	0.1
191.06989	2.0
191.10542	0.5
192.07758	0.5
193.08569	0.6
193.10098	0.2
194.10802	0.2
195.06477	0.5
195.11617	0.3
197.08054	0.2
197.09671	0.1
197.13281	0.1
198.10371	0.2
199.07498	0.2
199.11111	0.4
199.14835	0.2
201.09048	0.4
203.06996	0.7
203.08913	0.1
203.10622	1.0
204.07668	0.2
205.08559	60.6
206.08932	1.3
206.10774	0.2
207.09982	0.1
209.09668	0.2
209.13269	0.7
211.07544	0.2
211.09560	0.3
211.11261	0.1
212.08272	0.2
213.09154	0.6
213.12657	0.4
215.07027	0.1
215.10693	0.2
216.07681	0.2
217.08553	0.7
217.12178	0.2
219.10089	1.6
219.11841	0.2
221.07878	0.1
221.11543	0.2
221.13464	0.2
222.10352	0.4
223.09601	70.9
224.09958	1.3
225.09088	0.3
225.12798	0.1
226.09805	0.7
227.10582	0.8
227.14186	0.2
228.11139	0.1
229.08575	0.8
229.12160	0.2
230.09209	0.3
231.10066	1.8
231.13660	0.2
233.11592	0.2
235.09518	0.2
237.11000	0.5
237.12709	0.9
239.10637	0.3
239.14232	0.1
240.11491	0.4
241.08578	0.4
241.12206	2.2
241.15933	0.2
242.12704	0.1
243.10010	0.7
245.08160	0.2
245.11638	0.8
246.14110	0.2
247.09439	0.2
249.11102	3.4
250.09811	0.2
251.14465	0.2
251.17912	1.4
253.08403	0.1
253.12213	0.2
254.09355	0.5
254.13013	0.2
255.10109	0.5
255.13768	1.2
256.10828	0.4
257.11700	0.4
259.13242	0.2
261.11102	0.3
261.16525	0.2
263.10266	0.2
263.12811	0.4
264.15094	0.6
265.12158	1.9
265.15247	0.2
267.10086	0.3
267.13770	0.3
268.10834	0.5
269.11688	8.1
269.15002	0.4
269.19113	0.3
270.12128	0.4
271.13101	0.2
272.13864	0.2
273.14856	0.8
277.12210	1.0
278.12732	0.1
279.14319	0.1
279.17407	0.9
281.11722	0.4
282.12405	0.2
282.16138	0.1
283.13245	4.3
283.16568	0.3
284.13666	0.2
287.09534	0.1
287.12698	2.6
287.16293	0.9
289.15805	0.4
291.13766	0.3
292.14490	1.1
295.13226	0.4
296.14020	0.2
297.14795	0.5
297.18448	1.0
301.14282	5.0
302.14850	0.1
307.16870	3.3
308.17297	0.1
310.15512	0.3
315.15869	0.7
315.19244	0.2
325.17929	11.4
326.18408	0.5
343.18961	100.0
344.19299	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	343.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01859	2.1
55.05496	1.9
57.03419	2.2
57.07063	1.0
59.04988	0.8
61.02908	3.3
61.03197	0.7
67.05498	1.3
68.32500	0.7
69.03101	1.3
69.03428	10.9
69.07059	1.8
69.67617	6.8
70.06586	0.9
71.04972	2.1
72.08136	0.9
73.02903	1.6
79.05465	4.0
81.03403	4.0
81.07054	6.9
83.04979	5.6
84.08116	1.2
85.02897	26.9
86.09662	0.9
87.04448	1.8
88.03938	1.2
91.03957	1.0
91.05462	4.5
93.07034	6.8
95.04957	15.3
95.05534	1.2
95.08592	1.6
97.02888	8.6
97.06522	3.3
98.21477	1.5
99.04427	2.9
103.05463	1.0
105.07018	6.3
107.04948	14.7
107.08581	10.3
109.02851	1.4
109.06506	2.6
111.04475	1.0
117.07012	2.3
119.04946	1.3
119.08567	3.4
121.06471	3.9
121.10147	9.6
123.04436	3.0
123.08089	1.1
125.05963	10.7
127.03895	7.4
130.04921	0.8
130.07793	1.8
133.02805	0.8
133.06505	1.3
133.10136	0.9
135.04416	2.0
135.07991	1.1
135.11684	5.5
137.05963	4.7
137.09627	0.8
143.08601	1.1
145.04936	7.2
145.06604	1.2
145.10109	14.1
147.04407	12.1
147.08014	1.9
147.11732	1.0
149.05968	1.9
150.06790	1.4
161.06094	1.0
161.09622	1.4
163.03954	1.3
163.07556	1.8
163.11168	82.3
164.11562	2.1
165.05463	3.4
165.06865	0.7
165.09045	4.6
167.07031	1.2
173.05962	1.4
175.07559	1.8
175.11226	1.3
177.05594	1.2
180.10255	0.9
181.08565	1.9
181.12199	15.5
181.13617	1.3
183.10179	1.6
191.03407	4.4
191.06996	1.1
199.08183	3.5
201.05373	3.8
205.06544	2.5
205.12337	1.6
217.09172	1.1
219.06480	1.6
222.06677	1.8
223.13358	1.9
233.06076	2.2
237.09055	2.3
241.09010	1.4
249.05470	1.3
250.06314	2.2
265.08603	4.4
282.08887	0.9
283.09702	1.9
285.03946	1.9
292.07248	1.8
293.08047	3.6
297.11243	1.6
307.09586	5.3
307.15332	1.8
325.10593	7.5
326.11304	0.9
343.13626	100.0
344.14032	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	343.1746
Annotation	Anacine
Peak:m/z	Relative Intensity
55.05498	2.3
57.07067	100.0
58.07385	1.9
59.04959	1.2
67.05495	5.3
68.99795	4.0
69.03412	4.7
69.07052	1.4
70.20808	1.3
71.04975	6.1
79.05482	2.0
81.07041	3.3
83.01341	2.1
83.04977	4.4
85.06530	14.7
91.05453	2.3
93.07039	8.5
95.04970	3.8
95.08597	18.9
105.07022	2.9
107.08596	5.4
109.06525	2.0
109.10132	3.7
111.08069	11.1
115.03957	2.2
119.08578	3.1
121.06511	6.1
121.10146	2.0
123.04404	1.6
123.08056	15.2
123.11626	1.3
125.06017	2.9
129.06926	1.9
133.10083	2.8
134.65320	1.5
135.08029	8.0
137.05905	1.9
137.09589	20.2
139.03900	2.6
139.07524	13.8
141.09087	1.9
149.06013	2.7
153.05496	2.1
153.09140	1.7
155.06969	2.0
157.04964	4.1
159.07970	2.0
161.09492	2.1
163.07558	11.1
165.05481	1.4
165.09091	28.3
167.06889	1.5
173.09628	5.3
177.09088	2.5
177.44437	1.3
181.08577	15.3
185.08089	22.0
187.11301	1.5
191.07027	4.7
195.10155	11.9
197.11734	6.4
199.09642	2.2
203.10951	1.4
203.14311	2.9
205.08559	4.2
209.08073	40.0
210.08459	1.7
223.09619	6.4
229.12131	3.6
231.13779	7.5
237.11197	2.5
241.10655	24.6
247.13345	5.2
249.11026	1.6
249.14818	40.5
250.15173	2.6
270.04440	1.5
271.05936	10.4
273.03775	2.2
275.12704	5.6
285.03970	1.9
287.01846	7.1
293.13797	83.6
294.14230	4.6
307.15436	4.4
311.14911	4.5
325.10538	5.1
325.16367	48.2
326.16660	3.0
343.08032	5.5
343.11688	9.0
343.18884	9.0
343.22626	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
56.05024	0.5
57.03410	1.5
61.02924	2.4
63.53299	0.5
67.05481	1.0
69.03414	4.6
69.07060	0.7
70.06588	0.8
71.04972	0.9
71.78510	0.5
79.05473	1.2
81.03391	2.0
81.07042	3.2
83.04965	2.8
84.04487	0.5
84.08096	0.8
85.02892	12.4
86.09703	0.7
87.04471	0.6
91.03963	0.8
91.05446	2.8
93.07056	2.8
95.04967	5.6
95.08583	0.9
97.02890	4.6
97.06513	1.2
99.04416	0.9
105.06997	2.7
107.04932	16.0
107.08578	3.7
109.02866	1.6
109.06515	1.1
111.04441	0.5
115.05370	0.8
117.06973	1.2
119.04910	1.1
119.08553	1.5
121.06494	1.7
121.10139	3.6
123.04411	1.8
125.05947	5.6
127.03928	3.1
130.07779	0.7
131.04939	0.6
132.05579	0.5
133.06496	0.6
133.10117	0.7
135.04378	1.1
135.11653	1.6
137.05954	2.2
139.03958	0.6
145.04893	3.8
145.10103	5.5
147.04388	8.0
149.05969	0.9
159.04518	0.6
161.06024	0.6
161.09555	0.8
163.03883	1.2
163.07492	1.0
163.11156	31.4
164.11481	1.2
165.05437	3.7
165.06650	0.5
165.09096	4.3
173.05975	0.6
173.44328	0.4
180.08566	0.6
181.06955	0.7
181.08498	2.0
181.12183	7.2
183.10074	0.7
190.04802	0.5
191.03380	6.1
192.03603	0.7
197.11707	0.8
199.08119	2.9
201.05434	1.2
205.06558	0.8
205.08527	0.6
217.09109	2.4
219.06398	0.7
223.13202	0.6
226.85931	0.6
233.05815	0.9
241.09186	2.0
250.06313	1.0
265.08530	1.8
283.09863	0.7
285.03857	2.1
293.08054	1.7
307.09589	1.7
325.10669	2.9
343.13583	100.0
343.99796	0.6
344.13971	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	343.117
Annotation	UWM6
Peak:m/z	Relative Intensity
50.80509	1.5
50.86358	1.3
55.05491	1.6
57.07070	1.5
67.05484	3.7
69.03401	2.7
69.07042	4.8
71.04990	1.5
79.05462	1.9
81.07030	6.4
83.01309	2.5
91.05486	2.7
93.07033	5.3
95.04914	1.7
95.08594	4.9
97.06492	1.3
97.69365	1.3
98.20559	2.5
102.28167	1.4
105.07005	8.2
107.08569	7.9
109.06458	2.2
109.10142	4.0
119.08564	4.3
121.06479	2.0
121.10128	6.8
123.08087	2.4
123.11672	2.8
131.08600	1.6
133.06407	1.9
133.10109	10.1
135.08015	2.6
135.11688	2.4
143.08499	1.8
145.10086	2.9
153.01788	3.6
153.05453	4.2
159.08046	3.3
161.09618	1.7
163.07582	2.6
165.05501	4.3
177.09090	4.3
189.09138	2.0
191.07008	2.3
194.77454	1.4
203.07048	3.5
205.08614	13.8
213.05315	1.8
213.12650	2.6
217.08641	1.9
219.10106	2.1
221.08025	3.0
221.11755	2.0
223.09619	15.5
226.59807	1.5
229.05128	1.7
231.10097	2.4
237.12906	1.9
240.23276	2.3
241.04913	10.9
241.12152	1.9
242.05440	1.6
243.06549	6.7
243.10184	4.0
253.04903	1.5
255.10172	2.0
257.04492	2.0
261.11200	4.3
264.07809	2.9
267.06552	6.5
269.04462	5.3
269.11630	2.8
271.05978	48.6
272.03140	2.4
272.06348	2.8
277.04968	2.6
279.06485	3.4
281.04657	1.6
281.08054	3.6
283.06134	3.4
283.13168	2.5
285.07639	1.9
287.05542	6.6
287.12808	2.4
287.16489	4.4
291.06491	4.6
292.07318	5.8
293.08014	5.0
295.06000	16.4
297.07639	2.5
301.07034	2.4
301.14288	2.8
307.09613	17.2
307.16940	2.9
309.07498	13.0
310.08246	14.4
313.07108	2.2
325.10666	100.0
325.17908	13.6
326.11011	5.7
328.09442	5.3
343.08124	4.2
343.11777	71.0
343.18896	59.2
343.22714	7.9
344.12289	3.6
344.19769	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1172
Annotation	5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
51.89930	0.3
55.05488	0.6
59.04975	1.3
60.29844	0.3
60.66436	0.3
67.05486	0.6
67.09178	0.3
68.27624	0.3
69.03418	0.4
69.07042	0.6
71.00787	1.0
71.04098	0.3
71.04960	0.4
79.05460	0.6
81.07028	1.1
83.01346	0.4
85.06506	0.3
91.05450	0.9
93.07035	0.8
95.04993	0.5
95.08584	1.4
105.07003	0.8
107.04971	0.4
107.08576	0.5
109.10132	0.7
119.08584	0.5
121.10108	0.4
123.04438	1.6
131.08600	0.4
133.10156	0.8
135.04404	0.5
139.03908	3.0
147.04379	0.6
148.11975	0.6
156.20161	0.3
161.05917	0.6
162.06807	0.5
163.03906	3.2
163.07484	0.4
165.05479	0.6
175.07542	1.8
177.09090	0.8
177.67165	0.4
188.71602	0.3
191.03362	1.8
205.08669	2.1
223.09644	1.0
224.04410	0.4
240.04085	1.0
241.04829	0.7
244.03911	0.5
252.04037	0.6
253.04926	0.6
254.05830	0.5
255.06494	0.8
255.83923	0.3
256.03427	0.5
257.04440	0.4
267.06461	3.0
268.03641	19.5
269.04388	3.5
270.04895	0.4
271.05896	1.3
273.03891	0.9
277.04935	0.9
281.04349	0.6
282.05069	0.7
283.05981	20.9
284.06451	0.4
285.04028	0.6
287.01843	2.4
287.16315	0.4
292.07321	1.1
294.05219	0.8
295.05981	70.8
296.06375	3.0
297.07605	0.8
301.03897	0.5
301.06973	2.5
307.09610	1.5
309.07532	9.5
310.08316	21.8
311.08612	0.5
325.10660	86.0
326.10977	3.2
341.72440	0.4
343.08240	5.5
343.11728	100.0
343.18762	3.3
344.08359	0.8
344.12088	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1172
Annotation	Afzeliixanthone A
Peak:m/z	Relative Intensity
50.73461	0.3
53.79824	0.4
55.05484	0.7
59.44369	0.4
62.05513	0.3
67.05456	1.5
68.99775	0.5
69.07070	2.4
70.06508	0.4
71.04960	0.3
71.26620	1.0
71.60213	0.3
77.05393	0.4
79.01842	3.7
79.05477	0.8
81.06999	1.1
83.04953	0.7
91.05412	0.6
93.06984	1.4
95.04908	0.7
95.08600	1.8
105.07024	2.2
107.01254	0.6
107.08588	1.9
109.10104	0.7
119.08571	0.7
121.06458	0.5
121.10069	1.1
123.04368	1.5
123.11608	0.7
131.08586	0.5
133.10123	2.3
135.07925	0.7
135.11627	0.6
137.05920	0.4
143.08459	1.1
145.10013	0.5
147.08032	0.4
149.05882	0.5
153.01758	1.2
153.05450	0.4
157.10104	0.5
159.08011	0.5
161.05872	0.4
161.09633	0.5
162.03091	0.6
163.07474	0.5
165.01768	0.6
165.05399	0.5
171.07957	0.4
177.05496	4.6
177.09053	0.8
179.06879	0.5
185.09485	0.5
185.13268	0.5
189.05434	0.7
189.09050	0.4
191.06950	0.6
195.11642	0.4
200.04573	0.5
201.05482	1.9
205.08583	4.2
209.13203	0.5
213.12714	0.5
215.10675	0.5
216.04028	0.7
217.04897	1.6
221.08014	0.6
223.09624	3.6
228.04143	0.9
229.04938	4.4
229.12238	0.4
235.09633	0.8
237.12602	0.6
240.23164	0.9
241.04906	1.0
244.03741	2.6
245.04391	5.2
247.09775	0.4
248.03081	0.5
254.02074	0.7
257.04401	3.8
259.05914	0.9
259.09885	0.4
260.03098	1.2
263.05487	12.6
264.05685	0.5
265.12335	0.4
269.04459	2.2
269.11765	0.5
271.05981	1.0
272.03125	7.0
273.03625	0.6
275.05469	22.2
276.05850	1.0
279.06445	0.4
279.17398	0.5
283.13168	0.5
285.03989	0.8
287.05463	100.0
288.05811	3.8
301.07104	0.5
301.14334	0.7
307.16910	2.0
325.07098	0.8
325.10641	1.3
325.17990	3.5
343.08389	1.9
343.11743	55.2
343.18591	11.9
343.22784	1.9
344.12033	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	343.0808
Annotation	8-Hydroxygalangin 7-methyl ether 8-acetate
Peak:m/z	Relative Intensity
54.39539	0.4
54.45387	0.3
57.06855	0.3
57.07069	3.7
59.04993	38.9
60.05317	0.6
65.35181	0.3
69.03401	0.7
69.62480	3.3
85.06513	0.7
95.04944	0.4
95.08607	0.7
110.62042	0.3
111.08067	0.4
123.08041	0.8
137.09596	0.6
139.07547	0.6
150.45265	0.4
157.83464	0.3
159.00839	0.3
163.07381	0.5
165.09108	1.1
173.09637	0.4
177.01819	0.6
181.08417	0.4
185.08124	1.0
189.05499	0.4
209.08052	1.3
211.03969	0.4
215.03436	0.4
217.04999	1.1
228.04070	0.7
229.04951	1.8
231.13919	0.5
239.03368	1.2
241.10623	0.8
245.04460	1.2
249.14876	0.8
255.06630	0.5
256.03674	1.2
257.04413	6.7
258.05011	0.5
259.05966	0.7
260.03174	1.3
261.03928	0.5
271.06094	1.0
272.03018	1.2
273.03867	7.3
274.04327	0.4
282.05203	0.5
283.06064	0.9
285.03906	47.8
286.04230	2.8
287.02319	0.6
287.05481	3.3
293.13803	2.5
301.07010	17.7
302.07407	1.1
325.07040	1.7
325.10541	0.8
325.16367	2.2
343.08075	100.0
344.08383	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1171
Annotation	celebixanthone
Peak:m/z	Relative Intensity
55.05502	0.3
56.43165	0.3
67.05466	1.0
68.99780	0.8
69.03404	0.3
69.07062	2.2
69.75663	0.7
69.76081	1.5
77.06550	0.3
78.30125	0.3
79.05448	0.7
79.57050	0.3
81.07018	1.0
83.04923	0.3
83.08566	0.3
85.65086	0.3
91.05444	0.9
93.07037	1.4
95.04947	0.6
95.08582	1.4
102.24462	0.3
105.03341	0.5
105.07009	2.2
107.04967	0.4
107.08569	1.5
109.06477	0.3
109.10105	0.6
113.05927	0.4
117.07034	0.5
119.08533	0.7
121.10085	1.0
123.11653	1.0
125.05991	0.3
131.08540	0.5
133.10060	0.9
135.04379	0.5
135.08020	0.9
135.11655	0.6
142.99225	0.3
145.10060	0.9
149.09470	0.3
151.03862	0.8
151.07516	0.4
153.01794	1.4
153.05443	3.9
157.10103	0.4
161.05949	0.7
161.09512	0.3
163.11147	0.4
165.05408	0.8
175.07468	0.6
175.11217	0.4
177.09059	0.5
178.02582	1.9
179.03340	0.4
179.98590	0.3
185.05991	0.8
187.03896	0.4
187.07507	0.4
189.05540	0.4
191.06975	1.2
193.08466	0.3
201.05383	0.5
202.02525	1.4
203.06955	2.2
203.10706	0.3
205.08514	2.2
213.05460	4.5
216.04138	8.1
217.04938	1.5
221.08087	0.5
221.11717	0.6
223.09636	2.1
229.04922	2.4
230.05463	0.4
231.03008	0.5
231.06482	12.7
240.23163	0.5
241.04884	4.2
243.02835	1.0
243.06450	0.5
244.03619	7.8
245.04344	1.4
253.05182	0.4
257.04431	1.0
258.05164	1.2
259.05984	22.3
260.06348	0.7
265.08463	0.6
267.06595	0.3
269.04416	3.0
269.11581	0.3
271.02365	3.6
271.05865	0.8
272.03110	39.2
273.03427	1.4
273.14722	0.7
275.05273	0.4
275.16437	1.6
281.04553	0.3
283.06030	0.5
285.03833	2.8
286.04660	0.8
287.05447	100.0
288.05832	3.6
295.05933	0.8
299.05496	2.3
301.07019	1.6
301.14340	0.6
306.87665	0.3
307.16998	0.4
313.06876	0.8
323.87906	0.3
325.10645	1.6
325.17880	0.8
343.11710	97.5
343.18845	6.0
343.22760	2.7
344.12112	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	343.0807
Annotation	Dihydromethylsterigmatocystin
Peak:m/z	Relative Intensity
55.05483	0.2
69.83982	1.1
79.05457	0.3
81.07026	0.4
91.05453	0.2
93.07010	0.3
95.08582	0.3
105.06993	0.4
107.08554	0.3
110.60164	0.2
119.04921	0.2
120.18569	0.2
121.10139	0.2
123.04426	0.2
133.10086	0.3
134.14883	0.2
139.03885	0.2
147.04332	0.3
147.11684	0.2
153.01813	0.3
161.05928	0.4
163.03850	0.2
175.03844	0.2
175.07396	0.2
189.05428	0.6
191.03374	0.5
191.06958	0.2
203.03369	7.2
204.03763	0.4
205.08612	0.5
217.04890	0.7
221.08012	0.2
223.09630	0.4
231.02864	5.8
232.03401	0.4
239.06062	0.2
244.03661	0.3
245.00781	1.0
245.04379	0.4
247.02394	0.3
251.07083	0.3
255.02876	0.2
257.04486	0.2
259.02316	2.4
260.02994	0.3
261.03897	0.6
267.06412	0.2
269.04300	0.4
272.03046	0.4
273.03882	3.1
274.04483	0.2
279.06479	0.6
282.05219	0.2
283.02408	0.2
285.03879	1.3
287.01810	100.0
288.02170	5.0
289.03384	1.3
297.07407	0.4
301.03427	4.0
301.06934	0.6
302.03775	0.2
313.03256	0.8
314.03955	0.3
315.08374	0.2
323.05591	0.4
325.07016	3.4
325.17807	0.2
326.07343	0.2
328.05692	0.2
343.08066	77.1
343.18912	1.5
344.08408	5.9
368.43942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0808
Annotation	Dihydromethylsterigmatocystin
Peak:m/z	Relative Intensity
55.05491	0.6
67.05481	0.7
68.99767	0.7
69.03430	0.4
69.07041	0.6
70.06628	0.4
79.05494	0.5
81.07019	0.4
83.04935	0.4
91.05455	0.4
93.07018	1.1
95.04955	0.6
96.39172	0.3
102.10253	0.4
102.71991	0.3
105.07025	1.3
107.04910	0.3
107.08596	0.5
111.00766	0.3
115.57998	0.4
119.04963	0.6
121.10119	0.4
123.11643	0.5
133.06462	0.6
133.10107	0.4
135.08089	0.3
145.10139	0.3
150.52939	0.3
153.01791	1.4
154.26750	0.4
154.45731	0.3
158.28627	0.3
161.05959	1.2
171.04375	0.9
179.06992	0.4
189.05420	3.1
190.05966	0.4
191.03456	0.6
205.08568	0.5
212.26292	0.4
217.04939	4.2
223.07658	0.4
223.09743	0.4
231.02879	0.7
235.05995	1.4
239.03264	0.4
241.04959	0.4
244.03677	0.9
245.04497	1.0
247.02391	1.2
251.07002	1.3
255.02834	0.9
255.06357	0.4
257.04419	0.4
258.05237	0.6
259.02295	0.4
261.03940	3.0
269.04477	0.5
269.08078	0.6
272.03088	1.8
273.03897	18.0
274.04233	1.2
277.03360	0.4
279.06516	2.8
280.07025	0.6
282.05139	1.5
283.02341	1.1
283.05569	0.6
285.03882	7.4
286.04498	1.3
287.02148	0.7
287.05487	1.6
287.16403	0.6
289.03400	8.2
290.03668	0.4
297.04404	0.5
297.07520	2.2
299.05301	0.5
301.03412	20.7
301.06976	2.0
302.03946	1.6
307.06036	1.2
311.05219	0.4
313.03412	2.7
314.04099	1.2
315.04938	1.6
315.08575	1.5
325.07025	18.7
325.17773	0.5
325.21530	0.4
326.07352	1.8
327.04929	1.4
328.05701	1.9
343.08075	100.0
343.18875	2.2
344.08426	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0809
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
51.02359	0.2
53.03923	0.7
55.01865	1.4
55.05486	0.4
57.03411	0.4
57.07059	0.2
59.04982	0.7
61.02916	0.3
65.03916	0.7
67.05500	1.2
68.99767	1.5
69.03407	1.2
69.07048	0.4
69.71409	1.6
71.04968	0.3
73.02909	0.2
77.03896	0.4
79.05481	3.7
80.05775	0.2
81.03393	0.8
81.07038	1.2
83.04952	0.3
83.08598	0.3
85.02893	3.1
85.06515	0.2
88.23347	0.2
89.03905	0.3
89.10986	0.2
91.03941	0.3
91.04924	0.2
91.05465	3.1
93.03380	0.6
93.07029	1.8
95.01293	0.3
95.04383	0.3
95.04951	3.0
95.08574	0.9
97.02881	0.9
97.06535	0.3
97.20378	0.2
99.08041	0.6
100.11223	1.2
103.05458	0.3
105.03359	0.4
105.07013	1.4
107.04933	4.1
107.08578	1.3
108.90161	0.2
109.02827	0.4
109.06508	0.4
109.10109	0.5
117.03334	0.4
119.04925	6.3
119.08571	0.5
121.02829	0.6
121.06512	1.1
121.10158	1.3
123.04411	19.6
123.08022	0.3
123.11643	0.3
124.04734	0.3
125.05957	0.6
127.03881	0.8
130.04996	0.3
131.04916	1.2
133.06473	0.4
133.10080	0.6
135.04395	10.9
135.11661	0.6
136.04773	0.4
137.02290	1.2
137.05948	1.7
139.03871	1.4
143.04860	0.4
145.02875	1.4
145.04915	0.7
145.10098	0.9
147.04384	14.5
147.11647	0.4
148.04773	0.5
149.05994	0.9
151.07489	0.2
153.05466	0.4
159.04378	0.7
161.05942	0.8
161.09677	0.2
163.03885	13.9
163.11145	3.1
164.04263	0.4
165.05461	5.6
165.06874	0.2
165.09070	2.1
165.12747	0.2
166.05725	0.2
170.02679	0.2
173.09538	0.3
175.03864	1.8
175.07536	1.1
177.05554	0.4
177.09019	0.3
179.03365	4.0
180.03693	0.3
181.12198	3.1
187.03870	1.4
188.08357	0.2
189.05405	0.2
189.09027	0.2
191.03365	100.0
192.03766	4.1
193.15898	0.6
203.03363	5.8
204.03786	0.3
205.04919	3.0
205.08583	0.9
211.16927	0.3
215.03368	0.6
217.08482	0.4
219.03012	0.3
221.04434	6.3
221.07921	0.2
221.11707	0.3
222.04738	0.4
223.07550	0.4
223.09650	0.7
233.04411	3.2
237.05437	0.2
249.11102	0.3
251.07158	0.3
254.05621	0.2
255.06645	0.2
257.04465	1.3
269.04529	0.2
269.07886	0.2
271.02393	0.4
273.03857	0.4
279.06451	0.3
283.05969	0.2
283.09573	0.3
285.03876	1.0
287.01855	0.5
287.16510	0.4
295.05914	0.2
297.07553	1.1
301.07019	0.7
307.06006	0.6
325.07120	2.3
325.10568	0.3
325.17706	0.2
326.07224	0.3
343.08084	38.3
343.11597	2.0
343.19153	2.2
343.30362	1.1
344.08386	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0809
Annotation	Dihydromethylsterigmatocystin
Peak:m/z	Relative Intensity
55.05501	0.6
59.04992	3.1
68.99774	0.7
69.03150	0.4
69.03427	4.0
69.69607	3.2
79.05482	0.5
79.92024	0.3
81.07022	0.5
95.08558	0.6
100.91812	0.4
105.07042	0.4
115.31081	0.4
121.10130	0.5
125.07822	0.4
133.10098	0.5
150.57681	0.4
151.06084	0.4
153.01799	1.3
171.04372	0.5
177.05464	0.4
189.05380	0.6
191.03410	0.6
203.03456	2.1
205.08606	1.5
217.04939	3.1
223.09669	0.8
228.04163	0.8
229.04906	0.8
231.02866	2.7
237.05411	0.5
241.04980	2.1
245.04433	16.0
246.05052	1.0
251.07014	5.2
253.04852	0.7
254.05663	1.2
255.06419	1.1
256.03534	0.8
257.04416	3.0
259.02277	2.9
260.03168	3.9
261.03619	0.7
269.08072	3.3
271.02338	1.0
271.05991	1.6
272.02887	0.5
273.03915	37.3
274.04514	5.0
279.06531	5.9
280.06927	0.5
281.04422	0.5
282.05200	5.0
283.05948	1.3
284.03302	0.6
285.03922	7.5
286.04440	0.6
287.01871	2.6
287.05499	1.2
295.06091	0.6
297.04236	0.5
297.07535	13.2
298.07858	1.3
301.03406	9.3
301.07050	20.0
302.07278	1.0
307.06015	1.2
310.04694	1.2
313.07004	0.7
315.05600	0.3
315.08600	14.7
325.07071	17.5
325.10526	0.8
325.18048	0.5
326.07480	0.7
343.08093	100.0
343.18839	2.8
344.08420	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	343.0808
Annotation	Dipteryxine
Peak:m/z	Relative Intensity
53.79692	0.2
55.77023	0.2
57.03386	0.3
57.07007	0.7
57.07265	0.2
60.25662	0.2
67.05444	0.6
68.99751	0.2
69.07004	0.4
70.96853	0.6
75.04400	0.5
79.05433	0.3
81.06993	0.4
85.06449	0.3
91.05421	0.3
93.06969	0.4
95.04906	0.2
95.08514	0.7
95.09044	0.2
105.06946	0.7
107.08521	0.5
109.10080	0.3
117.06981	0.2
119.04810	0.2
119.08538	0.3
121.10084	0.4
123.11627	0.4
133.10027	0.7
135.04353	0.2
135.11584	0.3
137.05894	0.2
137.13158	0.2
139.03874	1.0
145.10052	0.3
147.04320	0.4
147.11597	0.2
153.01839	0.4
157.02802	0.3
161.05861	0.3
163.07478	0.4
165.05457	0.3
165.06802	0.2
171.04324	0.2
175.03864	0.3
175.07449	0.4
177.09071	0.3
185.08156	0.2
189.01723	0.2
189.05368	0.3
191.03317	0.6
191.06883	0.2
203.03362	12.3
204.03661	0.7
205.06761	0.3
205.08476	1.2
207.74001	0.2
213.01851	0.3
217.04892	0.6
221.08061	0.3
221.11708	0.2
223.09538	0.9
230.51259	0.2
231.02859	4.4
241.04901	1.0
241.10606	0.3
243.06483	0.2
245.00746	1.6
245.04407	0.3
247.02399	0.5
251.06865	0.3
257.04343	0.3
259.02264	0.3
260.02939	0.3
261.04031	0.2
269.04382	4.1
269.07578	0.3
269.08179	0.2
269.11761	0.2
270.04706	0.3
271.03055	0.3
271.05930	1.8
272.03104	0.2
273.03860	2.3
275.01996	0.2
279.06485	0.5
283.02460	0.2
283.05881	0.4
283.13333	0.2
285.03879	1.2
285.07184	0.3
287.01813	100.0
288.02155	6.0
289.03455	0.8
295.05963	0.4
297.07315	0.3
301.03366	2.4
301.06979	1.2
307.06039	0.2
307.26212	0.2
313.03320	0.3
315.08496	0.3
325.07010	2.7
325.10730	1.8
325.17932	0.3
326.07455	0.3
343.08084	15.4
343.11823	2.2
343.18930	3.0
343.22769	0.5
344.08368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05507	1.4
57.03424	1.5
57.07060	2.2
58.06596	29.7
59.04998	31.9
59.05296	1.8
59.06907	0.8
61.02907	2.2
64.77383	0.7
67.05484	1.4
68.99765	0.9
69.03407	2.4
69.07069	0.7
70.06569	1.9
71.04983	1.1
71.78851	0.9
71.79268	1.0
79.05492	1.2
80.50327	0.8
81.03400	2.2
81.07042	1.3
83.04960	1.3
84.04478	1.1
84.08080	0.8
85.02898	15.1
86.09686	2.8
87.07583	1.3
87.08100	24.8
89.06023	31.4
91.03951	0.9
91.05447	2.0
95.04952	1.3
97.02871	3.7
98.79066	0.7
99.04468	1.1
105.03380	1.8
105.07015	1.7
107.07056	100.0
108.07398	1.0
109.02882	1.7
116.07076	2.0
121.02840	3.5
121.06490	0.9
121.10102	1.3
122.03160	1.7
125.05977	0.9
127.03904	3.5
130.04945	0.9
137.02316	2.8
137.05960	3.6
138.02615	1.4
145.04955	6.3
145.10068	1.0
145.12251	1.8
147.04347	1.0
161.05988	1.1
162.02428	0.8
162.05498	2.6
163.05971	2.4
163.07472	1.2
163.11246	4.2
163.13295	22.0
175.07433	0.9
179.08432	1.4
181.06529	0.8
188.07927	1.1
190.02182	1.0
190.07687	0.9
191.03384	1.3
191.08519	2.2
191.19536	0.7
201.05547	0.8
203.03381	1.7
204.03772	1.7
205.06519	1.9
205.08418	1.6
207.08072	2.4
209.09550	1.2
219.08032	2.7
221.08333	0.8
222.06721	3.3
223.07393	1.6
223.09631	1.5
224.08061	1.0
231.02907	2.7
232.03075	4.4
235.07516	2.0
236.08441	0.9
237.09055	3.6
239.06995	1.0
247.07617	1.4
249.03986	1.2
250.04109	1.5
265.08557	12.6
266.09116	1.8
267.06473	1.5
269.12305	4.2
274.04196	1.5
282.04730	0.9
282.06097	1.0
282.08859	6.0
285.03842	1.1
293.08493	0.8
297.11169	18.9
298.11667	1.0
299.12668	1.8
311.12677	1.4
314.07300	1.6
342.06934	14.9
342.13504	1.6
342.16977	44.0
343.07605	2.2
343.12845	1.4
343.17374	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	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30912	0.5
55.05499	1.0
57.03431	4.7
59.04985	1.1
59.18413	0.6
61.02908	1.6
69.03422	3.1
69.82351	0.5
71.04971	1.6
71.08620	4.9
73.02908	0.8
73.06553	0.8
77.46468	0.6
79.05472	1.2
81.03426	0.7
81.07046	12.7
85.02890	11.6
85.06519	1.8
97.02869	3.5
99.08080	20.1
99.62949	0.7
109.02901	1.5
109.05766	0.9
109.06509	18.0
115.06483	0.6
117.09113	100.0
118.09430	1.9
127.03873	2.3
127.07537	39.2
128.07912	1.0
130.24443	0.7
145.04947	2.0
145.08559	2.7
163.09634	30.5
177.29649	0.7
179.03418	0.8
228.97070	0.6
229.38910	0.6
315.25961	0.7
323.71545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01854	1.3
55.05486	1.3
56.96548	3.3
57.03434	1.9
61.02917	1.7
62.06082	1.5
67.05486	0.9
69.03429	4.3
69.07071	0.8
70.06579	3.2
70.25996	3.0
71.04983	1.1
73.02895	2.1
73.06538	4.2
75.04463	3.5
76.02201	1.8
79.05490	1.4
81.03389	1.8
81.07055	4.5
83.04969	2.8
84.04470	0.9
85.02896	32.6
85.06520	1.6
89.03908	2.9
90.05537	9.4
91.03959	1.2
91.05473	2.6
95.04943	1.8
97.02882	5.0
98.97557	3.7
99.04450	1.3
99.08080	7.8
101.06012	1.6
103.03939	9.1
107.04925	2.0
107.08574	1.3
109.06500	1.8
110.07139	7.9
111.04394	1.2
116.98602	2.7
117.03324	2.0
117.05477	100.0
117.09116	2.5
118.05829	2.7
119.04905	2.4
119.46479	0.8
120.05230	1.5
123.04416	3.4
127.03892	4.9
127.07520	4.4
133.10075	1.1
134.99623	1.3
135.04378	4.8
137.06071	1.0
139.03925	1.1
143.00151	1.1
145.02844	3.2
145.04935	19.4
145.08583	6.0
147.04396	8.9
148.04668	3.6
149.04898	1.3
150.05313	1.5
151.03915	5.2
156.07646	1.2
158.99602	1.1
161.01201	2.5
162.02246	0.7
162.05615	1.2
163.02505	0.8
163.03891	27.1
163.06006	34.0
163.09651	4.1
164.04253	1.7
164.06248	1.1
164.09952	0.8
165.05444	2.7
175.07317	0.9
177.00671	1.5
179.03339	1.1
179.04729	1.4
180.03754	1.5
180.06477	1.7
180.08664	8.2
180.10175	1.9
181.04683	3.8
187.02748	1.0
189.00610	0.9
197.08047	1.1
205.03827	1.4
205.08598	2.2
211.37840	0.8
216.00023	0.8
219.01762	1.6
223.09599	1.6
229.03764	1.0
237.02794	2.8
245.11392	0.9
252.09984	0.9
271.83911	0.8
277.06485	0.9
331.06989	2.8
337.02237	1.4
340.57587	0.8
342.11972	1.8
343.09384	2.5
343.19232	4.5
349.08026	2.6
360.02615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2108
Annotation	Peperobtusin B
Peak:m/z	Relative Intensity
55.01852	0.8
55.05485	1.0
57.03401	0.3
57.07076	1.2
58.72272	0.3
63.90963	0.2
65.03918	0.7
67.05495	4.4
68.97587	0.2
69.03403	0.5
69.07060	4.6
70.04459	0.2
70.99329	0.6
70.99686	0.5
79.05486	2.5
81.03389	0.7
81.06609	0.4
81.07043	5.0
83.01330	4.9
83.04951	0.6
83.08553	0.3
91.05463	3.1
93.07027	2.9
95.04929	0.6
95.08593	4.1
97.06541	0.3
97.10133	0.5
99.00804	0.3
105.07011	6.5
107.04962	1.3
107.07908	0.4
107.08582	6.7
109.02848	1.9
109.06495	2.1
109.10139	17.7
111.04417	0.5
117.06976	0.7
119.04906	0.5
119.08580	1.5
121.06461	0.8
121.10126	10.1
122.10883	0.7
123.04408	0.3
123.08058	0.6
123.11686	6.1
127.03888	2.2
129.06952	0.3
131.08533	1.9
133.06470	0.7
133.10109	5.5
135.04391	5.5
135.08029	0.6
135.11653	1.7
137.02367	0.4
137.05956	2.4
139.03885	4.1
141.06920	0.3
143.08472	0.7
145.06436	0.5
145.10106	1.5
145.60092	0.3
146.10815	0.4
147.08011	0.6
147.11664	1.5
149.05968	1.3
149.09587	0.6
151.03851	1.6
153.05428	1.2
153.06750	0.3
154.07761	0.4
155.08476	0.8
157.10074	0.7
159.07999	0.6
159.11668	0.4
161.05966	1.8
161.09612	0.6
161.13165	0.4
163.03871	13.6
163.07513	1.1
165.05455	28.3
166.05811	0.6
166.07687	0.3
167.08524	0.3
169.06424	0.3
169.10114	3.7
171.08002	0.6
173.05984	0.6
173.09572	2.2
173.13229	0.5
175.07434	0.6
175.11118	0.3
177.05434	4.6
177.08986	0.7
179.06989	2.8
179.08473	0.8
181.04938	10.6
181.10036	0.6
182.07277	0.4
183.07942	0.3
183.11655	1.4
185.05994	0.3
185.09604	0.3
185.13307	0.4
187.07506	1.2
187.11073	0.5
188.08240	0.3
189.05429	2.7
189.09067	1.1
191.07021	3.9
191.10646	0.3
193.08533	0.6
195.08038	0.4
197.09544	2.1
199.07541	0.5
201.05385	0.8
201.09090	2.3
201.12683	0.5
203.06995	3.2
203.10361	0.3
204.06372	0.3
205.08548	4.0
206.10970	0.4
207.08310	0.3
207.10156	0.8
209.09697	0.5
210.10454	0.3
211.07396	0.4
211.11124	0.6
211.14832	1.3
213.09041	0.4
213.12645	0.5
214.09830	0.4
215.06967	1.1
215.10651	0.8
216.07741	3.0
217.08566	5.5
219.10130	41.0
220.10478	0.9
221.11577	4.0
221.13347	0.6
224.11938	0.6
225.09081	4.2
225.12601	0.4
226.09482	0.4
227.10600	0.5
228.07671	0.6
228.11559	0.3
229.08572	4.1
229.12187	0.6
229.15884	0.4
230.09143	0.3
233.11618	0.3
239.10612	0.5
239.14261	3.8
241.08601	0.7
242.09326	0.8
242.13033	0.4
243.10132	8.0
243.13840	0.9
245.11665	0.5
247.13374	0.3
249.12822	0.6
251.10664	0.3
252.11409	1.0
253.12201	0.3
255.10196	0.7
257.11652	2.5
257.15414	1.5
259.13187	0.5
267.13770	14.8
268.14114	0.6
270.12360	0.9
271.13327	0.5
272.14047	3.1
273.14859	1.1
285.14813	65.6
285.83206	0.2
286.15228	2.3
291.78723	0.3
299.16351	2.0
305.15564	0.3
313.17969	0.4
313.21423	0.6
323.16589	0.6
323.20090	0.8
341.21066	100.0
342.21411	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	341.2105
Annotation	Peperobtusin B
Peak:m/z	Relative Intensity
51.02379	0.2
53.03938	0.4
55.01862	0.6
55.05501	1.4
57.03423	1.4
57.07071	1.7
61.36152	0.1
64.25697	0.1
65.03919	0.4
67.01850	0.2
67.05493	4.2
69.03404	0.6
69.07059	3.7
69.93542	0.8
74.55664	0.1
77.03914	0.4
79.05474	3.2
81.03393	0.6
81.06550	0.2
81.07041	3.8
83.01326	6.4
83.04953	0.5
83.08589	0.2
85.02869	0.4
85.06525	0.2
91.05462	5.2
93.03376	0.2
93.07028	8.9
95.04959	1.0
95.08583	3.2
97.06511	0.2
97.10133	0.4
98.21338	0.2
103.05448	0.2
103.53327	0.2
105.04515	0.2
105.07011	6.0
107.04953	0.7
107.08575	13.5
109.02873	1.2
109.06508	2.2
109.10135	16.2
111.04385	0.4
111.11693	0.4
115.05413	0.4
116.06188	0.2
117.06995	1.3
117.17561	0.1
119.04894	0.3
119.06077	0.2
119.08564	2.0
121.02808	0.2
121.06472	1.7
121.10125	4.9
122.10905	0.2
123.04395	0.5
123.08034	0.6
123.11688	3.8
124.05139	0.2
127.03878	1.5
127.09116	0.1
128.06204	0.3
129.06979	0.5
130.07774	0.8
131.08554	1.8
133.06503	0.8
133.07416	0.2
133.10106	4.8
134.07234	0.2
135.04413	2.1
135.08029	5.5
135.11671	10.6
137.05948	2.5
137.09595	0.5
139.03870	2.2
141.05446	0.2
141.06870	0.3
142.07797	0.2
143.08493	0.7
145.06462	0.5
145.10103	3.8
147.04340	0.2
147.07994	0.6
147.11636	1.2
148.08768	0.2
149.05942	2.0
149.09579	1.6
151.03857	0.6
151.07527	0.5
153.05443	1.2
153.06609	0.2
154.07735	0.3
155.08525	1.2
156.09392	0.2
157.06459	0.3
157.10092	0.4
158.07237	0.8
159.08025	0.9
159.11649	0.5
161.05939	1.2
161.09581	0.4
162.06725	0.9
163.03877	4.1
163.07513	4.7
163.11162	1.6
165.05450	13.4
165.09093	0.5
167.06999	0.2
169.10095	1.3
171.07959	0.2
171.11607	0.3
172.08781	0.2
173.05989	0.4
173.09599	3.7
173.13321	0.2
174.06891	0.2
175.07561	1.2
175.11121	0.4
176.08350	1.2
177.05450	10.3
177.09068	11.1
177.22121	0.2
178.06084	0.2
178.09431	0.1
179.07028	1.8
179.08441	0.3
179.10689	0.3
181.04930	3.7
181.06439	0.3
183.06525	0.2
183.07976	0.3
183.11659	0.3
185.09595	0.2
185.13274	0.2
186.06725	0.2
187.07509	0.7
187.11098	0.4
189.05452	1.8
189.09062	1.2
190.06227	1.3
191.07004	2.8
191.10634	5.0
192.07758	0.2
193.08525	0.4
193.10167	0.3
195.11647	0.3
196.08908	0.2
197.09645	0.6
197.13254	0.3
199.11150	0.3
200.08340	0.2
201.05496	0.2
201.07182	0.3
201.09067	4.8
201.12720	0.5
202.09663	0.3
203.07004	2.0
203.10629	1.6
204.07784	2.7
205.08562	3.4
205.12175	0.3
206.09227	0.4
206.10968	0.3
207.10124	4.0
207.11897	0.3
209.09738	0.2
211.07532	0.3
211.11081	0.3
211.14804	0.4
213.09114	0.3
215.07034	0.6
215.10617	0.7
215.14320	0.2
216.07759	0.3
217.08589	1.2
217.12184	0.5
218.09352	0.2
219.10126	96.3
220.10458	2.3
221.11494	1.3
221.13464	0.3
222.63850	0.2
224.11943	0.3
225.09030	1.7
225.12711	0.3
225.16263	0.2
226.09865	0.2
227.07011	0.3
227.10597	0.6
228.07788	0.3
228.11418	0.3
229.08644	2.1
229.12190	0.7
230.09236	0.3
231.10168	0.6
231.13728	0.2
233.11652	2.4
237.09120	0.2
238.09938	0.3
239.10580	0.2
239.14247	1.2
241.08527	0.5
241.12135	0.6
242.09332	0.6
243.10159	3.4
243.13786	0.7
245.11699	0.6
247.13283	0.4
249.12695	0.2
252.11386	0.6
253.12093	0.3
255.10130	1.1
255.13788	0.6
256.10989	0.2
257.11664	3.6
257.15268	1.3
259.13220	0.4
261.14792	0.4
267.13766	5.0
269.11679	0.4
270.12524	0.3
271.13214	0.6
272.13980	0.4
273.14819	0.3
281.15347	0.2
283.13184	0.5
284.13724	0.2
285.14807	27.0
286.15198	0.9
294.16153	0.2
297.14624	0.8
298.15530	0.2
299.16315	0.9
311.16245	0.4
313.18033	0.2
313.21558	0.3
323.19934	1.5
341.21054	100.0
342.17548	0.1
342.21378	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09365	0.2
55.01852	0.7
55.05496	0.8
57.03447	0.3
57.07052	0.4
60.00878	0.2
60.04520	0.3
61.01139	2.5
62.01568	0.2
66.41526	0.2
67.05489	0.5
68.99780	0.6
69.03410	0.2
69.07075	0.5
69.80035	0.6
69.80435	1.4
71.06139	0.3
72.04508	3.0
73.04746	0.2
78.03785	6.4
79.05473	0.9
81.07047	1.0
81.90001	0.2
83.04984	0.3
83.08617	0.5
84.66191	0.2
85.02909	0.4
86.06053	0.6
91.05469	1.4
93.07029	1.0
95.04960	0.6
95.08590	0.6
96.08135	0.3
97.06526	0.3
98.09686	0.4
102.03754	10.2
103.02134	0.5
103.04035	0.3
103.05395	0.3
105.07013	4.8
107.08573	0.4
109.06503	0.4
109.10114	0.5
111.04447	0.3
116.10719	0.8
117.06982	0.4
119.04907	0.6
119.08554	2.0
120.04766	1.1
121.06460	0.5
121.10093	0.3
123.04404	4.4
123.08085	0.4
129.06989	4.6
131.06375	7.9
131.08557	0.9
132.04773	5.9
132.05750	0.4
133.06467	0.4
133.10127	0.4
137.02328	0.9
137.05959	2.8
140.89616	0.2
141.71342	0.3
142.08685	0.4
143.08565	0.4
143.10667	0.4
145.10101	0.3
147.04422	0.5
147.05667	0.3
147.08003	4.6
149.07419	66.3
150.07698	1.1
151.03883	0.8
151.07526	0.8
155.17384	0.3
157.06488	1.3
160.05179	6.4
161.09537	0.4
163.03897	0.3
163.07489	0.8
164.04691	0.4
165.05470	0.6
165.09125	1.5
175.07526	35.4
176.07881	1.4
178.06227	0.9
181.08611	0.3
191.07039	0.3
193.08580	100.0
194.08887	3.9
214.17984	0.7
218.42035	0.3
226.14323	0.8
244.15465	2.3
245.04361	0.5
264.12271	1.0
297.07449	0.3
299.05496	0.3
308.06552	0.3
311.05469	0.4
325.89975	0.3
341.06375	1.2
341.10077	3.0
341.14661	1.1
341.17108	0.3
341.21045	2.6
342.22549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43136	1.1
53.03923	1.3
55.01853	3.7
55.05503	1.2
57.03413	3.6
57.90388	1.2
61.43046	1.1
67.05478	1.3
68.96471	1.1
68.99746	2.2
69.03409	5.2
69.07057	1.1
69.81066	3.6
69.81506	5.8
71.04966	1.7
73.21470	1.1
77.40539	1.0
79.05466	3.6
80.95872	1.2
81.03398	3.3
81.07043	1.7
83.04910	1.1
84.04491	1.7
84.22185	1.1
85.02888	8.4
86.62628	1.2
91.05442	8.8
93.06982	1.4
95.04910	1.8
97.02864	5.3
98.20684	1.5
103.03899	2.3
103.05421	1.3
105.07039	5.8
107.04926	3.4
107.08579	6.4
109.02845	2.6
109.06482	3.6
109.10130	1.4
114.62456	1.2
115.05445	2.4
117.06999	4.0
117.09102	1.7
119.04898	4.3
119.08553	5.8
121.02850	4.3
121.06444	1.3
123.04391	1.7
128.06221	7.0
129.06985	21.5
131.04852	1.4
131.08527	2.7
133.06470	4.1
133.10095	4.6
135.04439	2.3
135.08009	3.7
137.02271	2.1
137.05966	14.5
141.06934	2.0
143.08524	4.1
145.06473	2.1
147.04395	7.2
147.08005	8.4
148.04749	2.6
149.04893	2.5
151.07484	2.7
152.06168	1.9
153.06956	1.7
157.06467	23.2
157.10051	1.7
160.05173	1.4
161.05965	13.3
161.09619	4.6
163.03915	1.7
163.07513	36.6
163.09613	1.7
164.07932	1.8
165.05551	2.3
165.07022	1.8
167.08533	2.8
169.06512	1.1
171.08020	6.7
173.05928	2.1
174.06712	3.2
175.07526	21.2
175.08926	1.8
175.11057	1.4
177.05443	2.0
179.03378	69.5
179.06992	53.7
179.08253	1.0
179.08624	1.6
179.10857	3.2
180.03636	2.5
180.07338	2.9
180.10101	1.8
181.12263	1.1
183.08040	1.8
185.05956	62.1
185.09595	3.4
186.06320	2.6
187.07536	7.4
189.09061	5.8
191.07005	100.0
192.07382	3.9
195.08005	2.9
197.05910	1.8
198.06728	4.8
199.07504	16.5
200.07855	1.5
201.05420	4.8
203.03331	1.5
203.07011	27.0
203.10339	1.0
205.08586	4.8
207.07674	11.6
209.08040	2.1
210.67638	1.2
211.07462	3.3
213.09132	9.2
215.06998	5.2
217.08551	9.9
219.06322	2.1
221.08057	84.2
222.08368	4.0
223.07503	4.7
227.06975	13.6
229.08554	5.0
231.02785	3.5
231.10107	11.3
233.08127	2.0
239.06995	3.0
241.08504	5.6
245.08061	60.2
246.08508	2.8
249.03900	1.8
251.06946	3.2
257.08029	7.1
259.09625	5.1
269.08090	8.7
275.09109	67.0
276.09558	3.0
279.09961	1.6
287.09091	28.5
291.10056	1.9
305.10144	22.3
311.12784	1.6
323.11334	13.0
341.06625	5.8
341.12265	75.3
342.12546	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1016
Annotation	Dihydro-O-methylsterigmatocystin
Peak:m/z	Relative Intensity
50.54100	0.3
55.05485	1.0
57.07057	0.5
60.49934	0.3
67.05480	1.2
69.03429	3.6
69.07043	0.6
70.85459	0.3
74.09710	0.3
75.76576	0.4
79.05466	1.0
81.07025	1.0
83.01324	0.5
83.04924	0.5
83.08607	0.5
85.06489	0.4
87.02231	0.3
91.05442	0.7
93.07018	1.2
95.04942	0.7
95.08559	1.2
103.12584	0.3
105.07002	1.0
105.53055	0.3
107.08566	0.8
109.06513	0.5
109.10134	0.7
117.06979	0.6
119.08562	1.1
121.06479	0.4
121.10130	0.8
128.06152	0.3
129.06978	0.6
129.64383	0.3
131.08540	0.9
133.10121	1.0
135.04329	0.4
135.11678	0.9
137.05923	0.5
137.09634	0.4
141.37515	0.4
143.08521	0.7
145.02846	0.5
145.10127	0.9
149.09596	0.4
153.01831	1.9
153.05495	0.5
157.10127	0.5
159.11696	0.4
161.06001	0.7
163.11050	0.5
169.10020	0.4
171.04628	0.3
171.08070	0.5
171.11613	0.7
173.06050	0.4
173.09596	1.4
173.13118	0.3
175.07530	0.8
177.05502	0.4
177.09105	0.7
183.11604	0.4
185.05949	0.5
188.08241	0.5
197.06020	0.8
199.04019	0.4
201.05362	0.7
203.07126	0.7
203.90843	0.4
213.05424	1.0
213.07455	0.5
215.06947	0.9
219.10127	3.4
221.08052	0.4
225.05493	0.5
226.06151	0.5
228.04218	0.4
229.04877	1.8
237.05446	1.0
240.04121	0.4
241.04916	6.7
242.05690	1.5
243.02771	0.5
243.06502	10.5
243.10271	0.5
244.03618	0.6
244.06718	0.4
253.04924	0.8
254.05656	0.6
256.03537	1.5
257.04404	3.7
258.05124	0.6
259.05801	0.4
261.05566	0.8
263.07053	0.5
264.07770	6.7
265.04950	3.4
266.05679	0.9
267.06421	0.5
268.03604	0.7
269.04373	1.9
270.01599	1.9
271.05988	51.2
272.06573	3.5
273.07361	0.4
279.06464	2.2
280.07272	7.0
281.04495	0.7
281.07892	0.8
281.15555	0.4
282.05069	0.7
283.05978	2.4
285.03967	4.6
285.07144	0.6
285.14841	0.9
286.04401	0.4
290.05698	1.5
291.06451	0.7
293.04425	1.8
295.06345	0.5
295.09625	4.5
297.07620	0.7
299.09006	2.1
307.06006	3.3
308.06738	12.0
309.07520	1.6
311.05374	0.6
313.10681	15.9
314.11005	0.8
323.09125	13.0
323.16452	0.6
323.19876	0.8
324.09534	0.8
325.07156	1.0
326.07831	2.6
339.08636	1.2
341.10165	100.0
341.17099	3.1
341.21097	6.7
342.10461	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1017
Annotation	Psorospermin
Peak:m/z	Relative Intensity
50.42043	0.3
50.81994	0.4
53.03921	0.4
55.01846	0.4
55.05508	2.9
57.07052	1.1
59.04999	19.4
64.50272	0.4
65.03946	0.4
67.05495	3.1
69.03402	1.2
69.07069	4.4
70.09191	2.1
71.04973	0.6
75.95691	0.3
79.05483	2.1
81.03387	0.4
81.07052	6.3
83.04983	0.7
83.08596	2.3
85.02868	0.5
85.06515	0.6
91.05461	2.0
93.07036	3.3
95.04962	1.5
95.08599	5.3
96.29838	0.4
97.06531	0.9
97.10140	1.3
103.05479	0.5
105.07040	2.9
107.04926	0.5
107.08593	3.9
109.06494	0.7
109.10149	3.3
111.08081	0.5
113.95498	0.4
117.07018	0.5
119.08544	1.8
121.06506	0.4
121.10128	2.6
123.08091	0.5
123.11689	2.2
125.09583	0.5
128.06209	0.4
129.06992	1.2
131.08568	1.3
133.10150	2.2
135.11684	1.3
137.05963	1.0
137.09602	1.4
137.13243	1.3
139.11186	0.7
141.06949	0.5
143.08644	0.5
145.06487	0.5
145.10146	1.2
147.11682	1.4
149.09508	0.9
149.13214	1.5
151.11079	0.4
155.08537	0.5
157.10112	0.9
159.08025	0.6
161.05992	0.6
161.09604	1.8
161.13301	0.6
163.11104	0.4
163.14731	0.5
165.09047	0.8
167.10732	0.7
169.10159	0.8
171.08029	0.9
173.09593	0.6
175.11269	0.5
179.10619	1.0
181.12202	0.5
185.13348	0.4
189.09116	0.5
193.12268	0.9
197.09566	0.6
199.11116	0.4
211.07581	0.5
211.11197	0.9
216.04128	0.7
219.10193	0.5
221.06020	0.4
239.07005	1.2
240.04192	1.3
244.03676	0.5
245.04384	0.9
250.06067	0.5
253.05051	0.4
255.06541	0.6
257.04425	0.4
266.05682	1.1
267.06454	1.5
268.03656	23.0
269.04385	6.0
269.22708	0.6
271.06024	1.5
280.07275	0.7
281.05148	0.4
281.07983	2.3
283.06003	32.7
284.03470	0.5
284.06256	1.9
285.03912	0.7
287.23596	1.1
294.05109	0.7
295.06009	16.1
295.09290	0.7
296.06296	1.3
299.05820	0.6
299.09119	7.2
300.09406	0.5
305.24762	2.9
308.06851	2.1
309.07455	1.6
309.10834	0.5
310.08273	0.8
311.05487	6.8
312.05850	0.4
323.05463	1.7
323.09158	2.3
323.16321	0.4
323.19989	0.9
323.25723	2.5
325.07034	0.9
326.07800	3.0
341.06662	5.8
341.10175	100.0
341.21051	14.6
342.10519	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	340.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16185	1.3
53.03933	4.0
54.92704	1.4
55.01859	8.2
55.05506	3.7
56.78307	1.4
57.03426	5.6
59.04988	1.3
61.02913	7.4
62.06080	2.4
62.47075	1.2
68.99773	3.7
69.03419	32.8
70.03722	1.5
70.06599	1.2
71.04978	4.6
71.77416	1.9
73.02911	6.6
78.51070	1.3
81.03406	19.6
81.07055	2.1
83.04978	2.4
83.08622	2.6
84.04485	1.6
84.08146	1.5
85.02893	100.0
86.09644	1.3
87.00819	43.3
87.04469	2.0
91.05475	2.0
95.01256	1.2
95.04963	2.0
97.02878	34.1
97.10193	1.5
97.88133	1.3
99.04447	11.5
101.02380	6.5
101.06017	2.7
104.71206	1.2
105.01854	88.4
105.07016	1.9
108.04479	2.5
109.02867	26.2
112.03964	2.9
115.03963	1.9
117.01813	1.4
119.03403	2.5
119.04904	3.3
121.02855	10.0
125.02388	1.5
126.05527	3.0
127.03901	80.1
129.01820	4.3
129.05457	4.4
129.07011	1.7
137.02327	6.4
137.05948	12.3
141.40129	1.2
143.07056	5.2
143.10669	6.0
145.04921	31.7
147.02983	1.4
147.04401	8.2
148.04753	7.1
157.06284	1.4
159.02902	13.0
161.02353	1.5
161.08084	4.9
161.11664	2.0
163.03850	2.6
165.82161	1.2
168.06616	1.9
175.03912	2.4
177.05414	1.5
178.04974	3.3
178.08943	4.9
179.03345	1.4
184.09627	9.4
186.07593	43.5
187.07593	8.0
189.01877	1.4
189.03894	2.6
189.09041	2.7
201.09921	25.8
203.03427	5.3
213.03889	3.0
217.08571	3.8
231.02850	15.4
231.05016	20.1
247.07407	1.8
248.08264	2.5
249.03906	5.2
249.06113	9.5
253.04961	1.3
261.09134	1.5
271.09766	1.5
273.03931	3.5
279.10168	3.1
281.04526	2.3
291.10126	5.9
295.06033	1.6
296.10495	1.8
311.12701	3.1
313.06870	2.4
323.05414	3.4
323.12921	6.0
333.83072	1.3
341.06522	31.3
341.09818	1.5
341.13577	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	340.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
55.01860	7.5
55.05490	4.5
57.03415	4.8
57.07061	2.4
61.02930	5.9
61.19431	1.1
62.06054	1.4
65.03905	1.7
67.05508	1.5
67.89008	1.1
68.99763	4.1
69.03416	37.6
69.07048	1.4
70.06567	1.7
70.21184	6.1
71.04969	4.2
72.08144	1.4
73.02541	1.5
73.02892	7.5
79.05465	2.3
81.03406	19.1
81.07034	2.9
83.04971	1.9
83.08575	1.7
84.04496	1.5
84.08108	2.5
85.02891	100.0
87.00814	43.6
87.04436	1.9
91.03925	2.1
91.05457	4.2
95.04921	1.4
97.02878	36.1
97.10164	7.0
99.04449	11.1
99.08066	1.2
101.02348	5.0
101.05938	1.6
103.03941	1.5
103.05451	2.1
105.01849	85.5
105.07062	1.8
108.04440	1.4
109.02859	22.3
109.06490	1.9
112.03973	2.5
117.09151	1.8
119.03374	1.6
119.04910	4.9
120.05222	2.4
121.02850	8.6
123.04440	2.4
124.07571	1.2
125.09606	5.1
127.03899	76.3
128.04166	1.7
129.01817	2.4
129.05466	3.1
129.06970	2.5
131.04907	1.4
132.04454	1.5
137.02335	5.8
137.05940	13.5
139.03889	1.9
143.06999	2.2
143.10651	11.0
145.03862	2.6
145.04941	34.2
147.02817	2.0
147.04387	12.0
148.04729	11.5
159.02861	11.2
161.05948	2.8
161.08104	3.8
161.11729	3.7
163.03844	1.2
163.10558	1.4
168.06516	2.9
171.03180	1.2
172.05173	1.5
174.06679	1.7
175.03902	2.0
175.07474	2.8
177.05392	1.8
178.03389	1.7
178.04944	35.7
178.08946	15.5
179.05341	2.3
183.02766	1.4
183.10194	1.2
184.09685	7.8
186.07588	32.5
186.09245	1.7
187.07545	5.1
188.08267	1.3
189.01932	1.5
189.03841	3.1
189.05475	1.4
189.08803	2.2
200.09151	1.3
201.09946	17.7
203.03342	5.0
205.22893	1.2
213.03799	2.3
217.08572	3.4
227.07042	1.5
231.02802	12.8
231.04979	23.3
243.77324	1.2
248.08151	3.6
249.03885	3.8
249.06171	8.6
251.10556	1.4
253.04916	1.8
255.06227	1.2
263.10562	1.6
270.08698	2.3
271.09702	2.9
273.03757	1.8
277.08481	1.5
279.10104	2.0
281.04376	3.1
291.10141	5.2
296.10165	1.2
299.05768	1.3
311.12741	2.0
313.06882	3.7
322.12988	1.3
323.13300	4.7
340.10120	4.2
340.17218	2.7
341.06531	27.6
341.13428	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.195
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
53.03938	0.2
55.01863	1.3
55.05492	0.6
57.03434	1.0
57.07066	2.6
65.03924	0.6
67.05489	0.9
69.03403	0.6
69.07057	0.6
69.86930	0.6
69.87344	0.2
79.05016	0.1
79.05479	1.9
81.07043	5.8
83.01328	6.9
83.04956	0.5
83.08603	0.2
85.02868	0.2
85.06498	0.2
91.05457	4.6
92.38070	0.1
93.07027	1.0
93.85461	0.1
95.04950	0.4
95.08592	0.8
95.55252	0.1
97.06535	0.2
97.10168	0.1
99.08073	0.1
103.05425	0.2
105.07008	3.7
106.07354	0.1
107.04956	0.5
107.08573	1.6
109.06500	6.7
109.10143	0.4
110.06813	0.1
115.05419	0.6
116.06186	0.1
117.06995	1.1
119.04920	27.9
119.08562	1.4
120.05250	0.6
121.06537	0.3
121.10116	0.4
123.08049	0.2
127.07553	0.5
128.06157	0.7
129.06985	1.9
130.07799	0.7
131.08549	1.7
133.06436	0.3
133.10107	2.4
135.04405	0.2
135.08023	0.5
135.57709	0.1
137.05956	1.4
137.09605	0.1
139.64430	0.1
141.06923	0.7
142.07741	0.3
143.08540	4.2
144.09325	0.3
145.06462	0.4
145.10097	1.6
147.07990	0.8
147.11659	0.1
149.05916	0.1
149.09579	0.3
151.07446	0.2
152.06219	0.1
153.05457	0.1
153.06990	0.3
154.07738	0.3
155.07364	0.1
155.08501	0.9
156.09286	0.2
157.06454	0.3
157.10117	0.9
158.07124	0.1
159.08023	1.4
159.11673	1.3
161.06024	0.3
161.09547	0.2
162.06650	0.1
163.07521	0.3
163.11157	1.0
165.05566	0.2
165.06984	0.6
165.09111	0.2
166.07701	0.2
167.08534	0.8
168.09305	0.5
169.06459	0.2
169.10091	1.7
171.08054	1.1
171.11656	0.4
172.08708	0.3
173.09575	11.5
173.13219	0.3
174.09930	0.3
175.07520	3.6
175.11119	0.2
176.07906	0.1
177.05481	0.2
177.07669	0.1
177.09076	0.6
178.07788	0.3
179.08514	1.1
180.09277	0.5
181.10092	1.6
182.10822	0.3
183.08055	0.2
183.11662	1.9
185.09607	0.4
185.13243	1.4
187.07455	0.1
187.10994	0.1
189.09027	0.3
190.06229	0.1
190.07739	0.1
191.06941	0.5
191.08557	0.3
191.10652	0.4
192.09244	0.5
193.08575	0.1
193.10094	2.0
194.10890	1.1
195.07944	0.6
195.11653	2.8
196.08786	0.2
196.12297	0.2
197.09586	0.3
197.13210	1.0
198.10489	0.1
199.07462	0.2
199.11145	0.3
201.09102	0.3
201.12698	2.3
202.07884	0.1
203.06963	0.2
203.08562	1.0
203.10619	0.4
204.07683	0.2
204.09322	1.2
205.08429	0.7
205.10196	0.7
206.10846	0.5
207.08125	0.2
207.11691	1.2
208.08762	0.4
208.12410	1.5
209.09673	0.9
209.13194	2.4
210.10277	0.2
210.13885	0.3
211.11182	0.8
211.14719	0.5
213.09193	0.6
213.12717	0.8
215.08714	0.2
215.10501	0.1
217.08534	0.4
217.10184	0.3
218.10872	2.0
219.10040	2.4
219.11676	7.8
220.12253	0.8
221.09624	1.1
221.13118	0.8
222.10353	1.0
222.13971	0.2
223.07474	0.3
223.11285	1.5
223.14769	4.8
224.15181	0.2
225.09111	0.6
225.12708	0.4
226.09697	0.1
226.13358	0.2
227.10640	0.4
227.14267	0.5
228.11296	0.1
229.08530	0.4
229.10274	0.2
229.12097	1.3
230.10883	0.3
231.08099	0.2
231.11859	0.7
232.12457	0.8
233.13274	4.2
234.10365	0.2
234.13730	0.3
235.07581	0.1
235.11237	0.8
235.14780	1.5
236.11908	1.7
236.15594	0.3
237.08963	0.4
237.12709	2.7
237.16295	1.2
238.13057	0.1
239.10649	0.4
239.14232	0.2
240.11467	0.2
241.08527	0.4
241.12151	0.8
242.15187	0.1
243.11659	0.3
243.13766	0.2
244.12491	0.3
245.13458	1.2
246.10352	0.4
246.14073	0.9
247.11150	0.3
247.14725	0.8
248.11887	0.2
249.08983	0.7
249.12723	2.0
249.16354	0.2
250.09779	0.4
250.13426	0.4
250.17142	0.3
251.10634	0.9
251.14278	3.9
251.17950	0.8
252.11342	0.2
252.14462	0.1
253.12193	0.4
254.12967	0.1
255.11597	0.2
255.13864	1.1
255.17352	0.5
257.11649	0.2
259.14871	1.4
260.11993	0.1
260.12866	0.1
260.15579	1.2
261.12781	1.5
261.16351	9.1
262.09918	0.4
262.13290	0.3
262.16602	0.6
263.10684	0.7
263.14264	1.7
264.11429	1.1
264.15021	1.8
265.12161	1.5
265.15845	1.4
265.19464	2.9
266.12854	0.3
267.13663	0.5
268.10870	0.3
269.11655	0.3
269.15295	0.3
270.14111	0.5
271.13187	0.9
273.12708	0.4
274.13217	0.1
275.14316	0.6
275.17896	2.2
276.11359	0.2
277.12207	4.5
277.15396	0.3
278.12903	0.7
278.16629	1.2
279.13763	5.7
279.17316	2.1
280.14246	0.4
280.17548	0.1
281.11804	0.2
281.15295	0.3
282.12375	0.1
282.15976	0.1
283.13239	1.4
283.16858	0.4
283.20029	0.1
285.16458	0.9
287.14194	0.2
288.15039	0.4
289.15833	0.3
291.13721	2.2
292.14514	3.9
293.15277	2.4
293.18954	4.5
294.16022	0.1
294.19260	0.2
295.13309	0.3
295.16757	0.1
295.20224	0.1
297.14871	2.6
297.18369	0.4
303.17386	2.7
304.17682	0.2
305.15234	1.0
306.16086	2.2
307.16418	0.2
309.14911	0.2
310.15561	0.2
311.16449	0.2
311.19928	1.5
321.18430	27.2
322.18765	1.5
324.16928	0.2
339.19479	100.0
340.19821	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1947
Annotation	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
Peak:m/z	Relative Intensity
51.02371	0.1
53.03936	0.2
55.01864	1.0
55.05497	0.9
57.03426	1.0
57.06799	0.1
57.07063	2.2
65.03924	0.6
67.05489	1.1
69.03407	0.6
69.07053	0.7
71.04978	0.1
71.80827	0.1
79.05476	2.3
81.03379	0.1
81.07039	5.2
81.58190	0.1
83.01322	7.1
83.04967	0.4
83.08601	0.2
85.02885	0.1
85.06534	0.3
91.05460	4.4
93.07024	1.2
94.18159	0.1
95.04935	0.4
95.08586	0.9
97.06491	0.3
97.10143	0.1
103.05458	0.1
105.07005	4.3
107.04925	0.5
107.08569	2.5
109.06496	6.0
109.10132	0.6
111.04415	0.2
111.08051	0.1
115.05431	0.6
116.06194	0.2
117.06970	1.0
119.04918	23.7
119.08552	1.7
120.05257	0.5
121.06455	0.3
121.10108	0.6
123.08039	0.3
125.06048	0.1
127.07536	0.3
128.06184	0.7
129.06963	1.7
130.07805	0.6
131.08527	1.7
133.06456	0.3
133.10104	3.2
135.04407	0.2
135.08022	0.8
135.11676	0.2
137.05927	1.2
137.09587	0.2
139.03856	0.2
141.06914	0.7
142.07730	0.4
143.08528	3.9
144.09238	0.3
145.06456	0.4
145.10095	1.8
146.10518	0.1
147.07983	0.8
147.11690	0.3
149.02304	0.2
149.05997	0.2
149.09584	0.4
151.07527	0.1
152.06052	0.1
153.05438	0.1
153.06972	0.3
153.08995	0.1
154.07710	0.3
155.08505	0.9
156.09233	0.3
157.06479	0.5
157.10091	1.0
159.08014	1.3
159.11665	1.0
160.08801	0.1
161.05919	0.5
161.09572	0.2
162.06693	0.1
163.07463	0.6
163.11142	0.8
165.05495	0.3
165.06998	0.6
165.09123	0.2
166.07726	0.3
167.08556	0.8
168.09264	0.7
169.06381	0.2
169.10101	1.7
170.10709	0.1
171.08026	1.2
171.11655	0.5
172.08722	0.2
173.09570	10.4
174.09932	0.4
175.07503	3.3
175.11151	0.3
176.08113	0.2
177.05443	0.3
177.09132	0.9
178.07732	0.3
179.08533	1.2
180.09294	0.5
181.10107	1.4
182.10811	0.3
183.08070	0.2
183.11655	1.8
185.09610	0.6
185.13217	1.4
187.07439	0.2
187.11111	0.1
188.08389	0.1
189.05537	0.1
189.07071	0.2
189.09062	0.4
190.06204	0.2
191.07007	0.6
191.08594	0.3
191.10583	0.7
192.09224	0.4
193.08540	0.2
193.10077	1.9
194.07268	0.1
194.10843	0.9
195.08063	0.4
195.10364	0.1
195.11656	2.7
196.08745	0.2
196.12178	0.2
197.09584	0.3
197.13205	0.7
198.10371	0.2
199.07509	0.2
199.11140	0.4
199.14769	0.1
200.08217	0.1
201.09177	0.5
201.12694	2.3
202.07785	0.2
203.06870	0.2
203.08522	0.6
203.10654	0.5
204.07777	0.2
204.09335	1.1
205.08543	1.0
205.10143	0.6
206.09286	0.3
206.10895	0.3
207.07956	0.1
207.10019	0.1
207.11716	1.0
208.08736	0.2
208.12421	1.2
209.09668	1.0
209.13200	1.7
209.14996	0.2
210.10347	0.2
210.13861	0.2
211.07597	0.2
211.11201	0.8
211.14754	0.5
212.08223	0.2
212.11740	0.1
213.09146	0.6
213.12675	0.9
215.08675	0.1
215.10622	0.2
216.09360	0.2
217.08243	0.5
217.10123	0.5
217.12158	0.2
218.10875	1.4
219.10080	5.7
219.11697	5.8
220.10568	0.1
220.12268	0.7
221.09598	0.8
221.13269	0.6
222.10361	1.0
222.13887	0.2
223.07513	0.3
223.11220	1.6
223.14749	4.5
224.08371	0.2
224.11736	0.2
224.15128	0.2
225.09102	0.9
225.12630	0.3
226.09682	0.2
227.10648	0.5
227.14258	0.6
228.11314	0.1
229.08434	0.2
229.10245	0.2
229.12131	1.2
230.10933	0.2
231.08012	0.2
231.11923	0.7
231.13849	0.1
232.08684	0.1
232.12312	0.6
233.09402	0.2
233.13284	3.8
234.10385	0.2
234.13768	0.4
235.07506	0.2
235.11238	0.8
235.14772	1.4
236.11923	1.5
236.15472	0.2
237.09189	0.4
237.12698	2.7
237.16289	1.2
238.09698	0.1
238.13391	0.2
238.16779	0.1
239.10600	0.5
239.14301	0.2
240.11353	0.2
241.08453	0.5
241.12195	1.0
242.15144	0.1
243.09731	0.1
243.11795	0.2
243.13829	0.2
244.12645	0.5
245.13612	1.1
246.10321	0.4
246.14143	0.8
247.11075	0.3
247.14865	0.8
248.11871	0.4
248.15460	0.1
249.08960	0.6
249.12692	2.0
249.16162	0.3
250.09846	0.4
250.13342	0.3
250.17175	0.4
251.10632	1.2
251.14275	3.4
251.17819	0.8
252.11507	0.2
252.14571	0.1
253.08466	0.2
253.12193	0.4
254.09454	0.4
254.12833	0.2
255.09917	0.3
255.11638	0.1
255.13831	1.3
255.17418	0.4
257.11554	0.2
259.11115	0.2
259.14890	1.2
260.15540	1.0
261.12747	1.3
261.16336	8.1
262.09781	0.4
262.13434	0.1
262.16623	0.5
263.10947	0.7
263.14230	1.7
264.11441	1.1
264.15015	2.0
265.12180	1.5
265.15829	1.7
265.19470	2.5
266.12988	0.2
266.15970	0.1
266.19739	0.1
267.10138	0.2
267.13745	0.4
268.10916	0.4
269.11633	0.4
269.15353	0.4
270.13950	0.3
271.13217	0.6
273.12637	0.5
274.13528	0.2
275.14264	0.6
275.17880	1.9
276.11389	0.3
277.12195	4.4
277.15631	0.4
277.19064	0.2
278.12823	0.7
278.16553	1.0
279.13757	5.5
279.17310	1.8
280.14243	0.4
281.11703	0.3
281.15326	0.3
282.12656	0.2
282.15976	0.2
283.13226	3.3
283.16794	0.9
284.13864	0.3
285.16559	0.6
287.14203	0.2
288.15042	0.2
289.15787	0.4
291.13745	2.5
291.17001	0.1
292.14514	4.1
293.15292	2.3
293.18930	4.5
294.15851	0.2
294.19385	0.3
295.13141	0.5
295.16324	0.2
296.14270	0.1
297.14899	2.6
297.18417	0.5
298.15137	0.1
303.17380	2.6
304.17526	0.1
305.15305	0.9
306.16031	2.5
307.16629	0.2
309.14844	0.3
310.15601	0.4
311.16296	0.3
311.19958	1.4
315.15863	0.1
321.18423	26.6
322.18747	1.7
324.17017	0.2
339.19470	100.0
339.77817	0.1
340.19812	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46925	0.2
57.97231	0.2
59.78737	0.2
65.03926	0.5
69.94160	0.4
69.94565	0.9
79.35455	0.2
83.04958	0.4
85.02875	0.3
91.05467	6.4
93.64687	0.2
95.04986	0.2
98.20769	0.2
104.14333	0.2
111.04372	0.3
119.04932	19.5
120.05270	0.5
135.92603	0.2
142.09471	0.2
147.04393	100.0
148.04733	3.3
165.05472	0.8
212.37749	0.2
219.02847	0.4
228.63104	0.2
363.80841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.72248	0.3
65.03924	1.0
71.44794	0.6
91.05466	8.2
92.05832	0.3
100.84514	0.3
119.04923	21.7
120.05220	0.7
147.04385	100.0
148.04713	4.1
174.76605	0.3
222.47588	0.3
239.09967	0.3
341.50769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1068
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
58.81917	0.3
60.74525	0.3
62.44165	0.2
65.03912	0.8
71.20431	0.8
72.33650	0.3
83.04935	0.5
85.20242	0.3
91.05465	11.3
92.05804	0.3
111.04402	0.4
119.04922	25.2
120.05241	0.7
123.99915	0.3
147.04381	100.0
148.04733	4.5
165.05365	0.3
205.32285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.4
61.02909	1.4
63.41116	0.9
67.05492	2.0
67.38065	0.9
69.03416	1.7
70.37926	4.5
79.05475	2.9
81.03369	1.0
81.07044	12.6
83.04994	1.5
83.08623	1.4
85.02897	9.9
92.04611	0.9
95.08591	16.8
97.02895	2.5
97.06516	65.1
111.08073	3.3
123.08050	23.3
124.08340	0.9
127.03909	1.8
141.09079	100.0
142.09441	3.4
147.04379	3.8
159.02309	0.9
159.10150	11.7
180.54832	0.9
188.08170	1.2
215.53520	1.0
257.13715	1.2
312.85980	0.9
322.13956	1.9
339.16544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36264	0.5
55.01859	0.8
55.05488	0.9
57.03416	0.9
57.07042	0.6
63.47671	0.6
65.03921	0.9
67.05496	4.0
69.03423	5.1
69.07047	1.7
69.82491	4.4
71.04971	1.8
78.54598	0.5
79.05473	1.9
81.03395	0.6
81.07046	12.3
83.04976	7.1
85.02898	5.7
85.06541	3.7
91.05467	8.0
93.07059	3.4
95.04955	3.9
95.08601	13.3
97.02881	1.1
97.06509	2.5
99.04447	1.4
99.08083	2.3
101.05985	0.9
105.07039	4.0
107.08568	3.5
109.06506	5.5
111.04408	1.5
111.08080	1.5
112.76019	0.8
113.05990	6.6
113.09628	9.0
115.03941	0.9
115.07522	0.7
117.06859	0.6
119.04932	19.9
119.08544	1.4
121.06522	1.8
123.04422	1.0
123.08063	10.5
127.03908	2.1
127.07538	1.6
129.05469	1.2
131.08554	1.5
133.06485	1.0
133.10129	3.0
135.08009	0.8
135.11772	0.7
137.06004	1.0
141.05449	2.8
141.09085	22.6
142.09401	1.0
147.04398	100.0
147.11670	1.9
151.11159	1.9
155.06978	0.8
157.10129	2.6
159.06535	10.4
159.10153	14.6
159.11458	0.8
163.11224	1.6
173.08136	3.0
175.11148	6.0
176.28244	0.7
177.05470	1.2
185.08067	2.2
185.09618	1.1
193.12262	5.2
203.10674	1.3
211.13322	6.8
221.11685	3.5
229.14413	1.8
239.12747	9.5
257.13809	14.0
258.14407	0.9
267.12381	2.3
275.14856	6.2
302.11987	0.8
320.11084	1.2
321.15369	1.7
338.12302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73020	0.3
55.01859	0.2
55.05499	0.3
56.05029	1.9
57.07058	0.6
66.34830	0.2
67.05482	0.7
68.05011	0.8
69.88699	1.7
70.06602	1.2
74.02431	1.1
79.05457	0.3
81.07048	0.7
82.06564	1.1
83.04976	0.3
91.05473	0.6
105.07027	0.9
109.06495	0.5
112.09995	0.2
114.05524	1.5
124.07575	0.4
129.06992	0.5
131.08571	1.5
133.06473	0.3
135.08073	0.3
141.06918	0.3
142.07745	0.8
143.08533	0.8
145.06427	0.7
145.10103	0.4
147.04417	0.5
147.08098	0.3
149.05968	0.3
153.06969	0.3
155.08508	0.3
157.06476	0.8
157.10130	1.4
159.08044	1.9
161.05911	0.8
161.09576	0.4
163.03851	0.3
163.07558	2.1
165.06882	0.4
167.08513	1.3
169.06522	0.2
170.07256	0.4
171.08034	3.0
173.05928	0.4
173.09624	0.5
174.06754	0.5
175.07506	2.0
177.09088	2.3
183.08058	0.5
185.09590	5.2
187.07516	7.4
189.05461	0.4
189.09062	1.2
193.08534	1.0
193.10159	0.7
195.08005	0.9
195.11714	0.7
198.06683	0.8
199.07484	0.8
199.11237	0.4
201.07216	0.3
201.07602	0.1
201.09062	5.3
202.08597	1.9
203.10625	0.9
205.08565	10.5
206.08929	0.3
207.10147	0.5
208.08803	0.7
209.09622	0.3
211.07518	0.6
211.11122	1.9
213.09074	10.6
213.12465	1.9
215.10643	1.0
217.08582	0.6
219.10138	10.8
221.09618	0.3
223.11147	3.6
224.11472	0.3
227.10629	0.3
228.10164	0.5
229.08493	0.3
229.12219	1.8
231.10130	13.6
231.13838	0.9
232.10507	0.4
233.11736	0.5
239.10582	1.0
240.13818	0.7
241.12190	3.2
248.16386	0.6
256.13324	1.5
257.11609	0.7
258.14801	3.0
259.13260	3.9
274.14331	13.0
275.12524	0.5
276.15845	2.9
302.13831	0.6
320.14874	100.0
321.15195	3.2
338.10565	1.4
338.15912	7.4
339.12195	0.3
339.16034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05483	0.7
61.10672	0.5
62.37170	0.5
64.90239	0.6
65.03920	3.4
66.05444	0.4
66.88708	0.4
67.05486	0.6
68.99780	0.5
69.03400	0.9
71.04966	2.0
71.24860	0.7
79.05476	0.8
81.03423	2.2
81.06604	0.7
81.07048	8.7
83.04946	0.5
85.02905	0.9
87.97621	0.5
93.03387	5.4
95.04949	1.2
95.08582	1.1
97.02879	0.9
97.09663	0.5
99.07430	1.1
99.08079	21.1
107.01298	0.5
109.02863	1.5
111.03655	1.1
111.04427	23.2
112.04748	0.7
113.09640	0.7
121.14547	0.5
121.22627	0.5
127.03909	2.9
134.82928	0.4
137.02325	100.0
138.02640	1.5
139.03061	0.4
139.03880	31.3
141.09061	7.0
147.04382	1.9
155.03371	49.9
156.03703	1.2
159.10152	14.9
159.11450	1.0
167.03377	26.3
168.03824	0.5
189.30661	0.5
191.03375	0.9
219.02866	2.3
241.68121	0.5
278.20392	0.5
282.75986	0.4
291.60263	0.5
339.08475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1593
Annotation	3alpha-(3,4,5-Trimethoxybenzoyloxy)nortropan-6beta-ol
Peak:m/z	Relative Intensity
55.01860	0.6
55.05495	0.4
56.05023	1.7
57.07042	0.4
58.06575	0.3
67.05482	0.9
68.05022	5.1
69.03429	0.4
70.06590	2.9
70.76253	0.3
71.17234	0.8
74.02432	1.0
78.35612	0.4
81.07039	0.6
82.06564	0.7
83.04974	0.4
84.04482	0.5
84.67313	0.4
91.05437	0.5
105.07005	0.8
107.04948	0.5
109.06509	0.6
114.05514	7.6
117.40118	0.3
120.08084	1.6
124.07608	0.5
126.98402	0.3
129.06989	0.5
131.08539	0.8
133.06464	0.4
137.05962	0.7
140.10681	0.6
141.12637	0.8
142.07755	0.6
145.10127	0.4
147.04393	0.9
147.08031	0.5
149.02319	0.5
154.12271	0.9
157.06448	0.6
157.10117	0.5
159.08031	0.7
161.05969	1.4
161.09656	0.6
163.07541	0.7
166.08682	0.3
167.03259	0.4
167.08549	1.1
168.10167	0.6
169.17798	0.3
170.07269	0.4
171.07985	1.3
173.09686	0.7
174.06798	0.4
175.07520	2.5
177.05530	0.3
177.09090	4.5
179.72513	0.4
185.09584	3.9
185.13200	0.4
187.07533	1.7
189.09048	1.7
191.03392	0.4
191.08121	0.4
193.08574	0.9
195.06447	0.3
195.11678	0.4
198.06761	0.7
201.09084	2.5
202.08488	1.9
203.10612	1.1
205.08562	17.2
206.08774	0.4
207.10112	2.0
211.11182	1.0
213.09077	5.1
213.12694	1.1
215.10732	0.4
216.07988	0.5
217.08556	0.9
219.02859	0.8
219.10138	12.1
220.10452	0.7
221.09651	0.5
223.11221	1.5
229.08650	0.6
229.12219	2.0
231.10139	19.1
231.13864	1.3
232.10522	0.7
233.11684	0.6
239.10512	0.7
240.13898	0.8
241.12183	1.4
248.16389	0.7
256.13397	1.2
257.11621	1.4
258.14905	4.0
259.13242	3.7
274.14343	9.9
275.12616	0.8
276.15930	2.6
281.18631	0.8
302.13678	0.5
320.14893	100.0
321.15204	3.4
338.11838	0.6
338.15839	5.7
338.24316	0.8
339.15677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89841	1.5
56.37566	1.5
56.78728	1.4
56.96555	36.2
59.04971	1.5
61.02914	2.3
69.03387	5.7
70.06548	1.4
70.17091	7.7
70.98115	7.4
71.03492	1.5
79.61031	1.5
81.03388	2.4
84.96017	7.2
85.02879	13.8
88.99159	3.5
96.24749	1.6
97.02884	3.6
98.21368	2.8
98.97569	54.2
100.99164	1.9
110.97574	12.4
112.99114	22.8
115.54050	1.5
116.98602	27.1
119.01936	1.7
124.99072	1.9
127.00590	1.9
127.03889	3.6
128.98601	19.1
131.00157	31.6
131.01747	2.0
133.01694	3.4
134.99651	8.5
140.98608	1.9
142.96545	2.0
143.00140	4.3
144.98053	1.7
145.04990	3.0
146.99651	14.9
148.03850	1.8
149.01207	22.8
151.02728	2.0
157.01682	2.1
158.99651	14.1
160.97510	2.3
161.01170	5.6
162.99028	2.3
163.02707	3.2
163.03949	5.7
165.00650	10.3
167.02237	3.0
170.96027	2.4
170.99643	6.4
173.01285	4.0
173.03030	1.9
174.99142	5.7
175.02829	4.0
177.00710	12.4
178.04845	3.8
182.03322	2.1
184.97569	3.0
187.02710	2.9
188.97075	10.0
189.00656	7.2
191.02228	5.3
193.00168	5.2
193.03917	7.6
201.00723	2.4
202.98555	6.0
203.02281	4.5
205.00203	3.9
205.03857	2.4
206.98158	4.9
207.01753	5.6
211.04745	4.2
217.00223	3.6
219.01743	20.9
220.99699	3.2
223.01254	2.5
230.98154	10.0
233.03268	2.7
234.06404	2.0
235.04826	3.9
237.02798	42.7
242.05453	2.5
244.99672	8.0
247.06761	2.3
248.99188	3.6
249.02925	1.9
255.03828	2.7
263.00742	21.8
267.03925	2.3
275.04385	2.9
277.02310	6.8
277.05878	14.0
281.01773	3.3
293.05331	5.4
295.06958	43.9
305.01868	1.8
337.08578	100.0
338.09192	2.9
353.45447	1.8
355.09103	17.6
356.09668	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	336.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21271	1.0
51.56912	1.0
51.81963	1.0
55.01858	2.2
55.05507	1.4
57.03416	2.3
60.04518	1.4
61.02910	3.7
67.05493	2.7
69.03416	5.2
69.07055	2.3
70.06594	2.2
71.04990	1.0
71.81285	1.6
74.09708	2.2
79.05475	6.3
81.03410	2.6
81.07043	6.8
83.04984	1.5
84.04511	2.5
85.02898	18.1
85.06506	2.2
86.09704	1.5
91.05484	2.7
93.07030	14.9
95.04948	3.2
95.08592	3.3
97.02911	5.5
97.06513	5.2
105.07016	1.7
107.08598	1.9
109.02868	2.1
109.06526	3.5
111.08068	100.0
112.08407	2.9
117.06991	1.5
120.08099	2.4
121.06515	4.6
126.09157	4.4
127.03875	2.7
127.07542	11.6
128.07039	1.2
128.07912	1.2
129.06641	1.7
130.05008	3.8
135.04353	1.8
139.07527	81.4
140.07918	2.4
145.04977	4.4
145.10110	1.6
149.09618	1.7
150.05518	1.5
155.07028	1.7
156.07999	1.8
157.08594	43.9
163.03873	4.9
166.04985	5.4
174.09125	1.4
174.11270	7.4
180.08604	2.4
181.12250	1.9
190.48982	1.2
191.10689	3.6
194.04463	3.0
251.18546	1.2
252.30325	1.2
301.11847	5.3
336.14453	2.2
337.09647	1.5
337.17740	1.6
343.95166	1.2
355.15414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	75.2
57.03426	4.3
61.02907	5.4
67.38869	2.5
69.03424	5.3
70.32874	5.9
70.33266	5.2
70.98112	18.7
71.95267	2.9
73.02908	3.0
84.96027	7.0
85.02905	14.3
85.96700	2.4
88.99157	8.0
89.03909	3.4
97.02859	5.8
98.97569	100.0
104.01488	2.4
107.00198	5.3
110.42097	2.3
110.97564	27.3
112.99127	12.6
116.98604	58.7
117.03358	3.2
119.01881	5.9
124.95458	7.8
125.37140	2.3
127.03934	5.7
128.98576	42.7
129.92815	2.3
130.06520	2.5
131.00168	17.3
133.01685	6.7
134.99651	20.5
135.04349	5.5
140.05006	3.1
140.98590	6.8
142.96535	10.4
143.00146	6.7
143.01894	2.9
145.01692	3.8
145.04985	4.4
146.99631	43.8
148.03889	2.8
149.01195	16.2
151.02788	5.6
152.94896	2.7
152.98578	4.2
156.98070	8.4
157.07629	7.2
158.99649	20.7
160.97540	5.0
161.01241	6.7
162.03661	4.6
162.99147	2.6
163.03888	36.1
165.00728	22.8
170.95979	7.7
170.99693	9.2
173.01086	2.6
174.99147	58.4
175.02762	7.6
177.00662	21.7
184.97604	6.7
188.97054	26.6
189.00676	27.0
190.98596	4.0
191.02258	5.1
193.00192	54.7
193.01926	2.0
193.03822	5.0
201.00685	3.3
202.98630	17.9
203.02219	5.3
205.00203	10.8
206.98073	19.7
207.01711	17.8
211.01195	2.7
212.97098	5.9
217.00185	33.9
217.03622	3.7
218.03426	2.8
219.01759	29.2
220.99707	10.4
223.01248	8.7
226.98958	2.8
229.00131	3.0
230.98099	33.2
235.01157	22.7
235.04823	5.1
237.02786	58.5
237.05023	4.6
244.99680	21.2
247.01231	15.2
248.99309	13.6
249.02817	4.8
255.03883	4.6
255.57944	2.8
263.00729	69.8
263.84604	2.5
264.01016	4.0
265.02402	2.7
267.03885	3.0
277.02328	14.0
277.05945	24.4
281.01794	10.9
286.02371	3.5
295.03372	7.1
295.06912	80.4
295.10278	5.2
305.01797	5.3
305.05167	3.3
310.07742	2.6
314.16397	4.7
318.08606	4.4
337.04340	12.1
337.08148	44.2
355.09085	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01860	2.1
55.05494	1.5
55.85899	0.4
57.03428	0.5
61.02900	1.1
65.03937	0.6
67.05497	3.5
69.03410	1.5
69.07034	0.8
70.06569	0.7
71.04967	0.7
79.05482	7.6
81.03401	0.8
81.07044	9.2
82.65812	0.5
83.04960	1.9
83.08608	0.7
85.02886	3.2
85.06531	1.7
86.06042	1.2
89.03892	1.0
91.05472	3.5
92.05819	0.5
93.07030	12.7
95.04955	7.5
95.08570	1.0
97.02877	0.6
97.06517	7.8
99.04456	0.7
103.05456	2.5
107.04931	1.8
109.06515	5.4
110.07159	0.5
111.04414	1.8
111.08086	3.9
115.05426	0.6
117.03327	2.1
118.04043	0.4
119.04895	0.6
121.02863	1.0
121.06498	4.5
127.07529	7.5
131.04910	2.8
135.04395	4.9
136.07574	0.5
139.03879	1.6
139.07521	100.0
140.07848	2.3
141.07001	0.6
145.02855	3.5
147.04391	1.6
155.07007	0.6
156.08054	1.5
157.08580	27.8
159.04366	0.7
161.05949	0.9
163.03880	21.8
169.06477	0.7
173.05984	0.9
173.09622	0.4
174.09131	1.3
176.04655	0.5
181.04961	0.7
187.03894	1.6
187.07542	0.7
189.01889	0.5
189.05504	0.7
191.07013	2.5
197.06056	1.2
204.04163	1.5
205.08569	0.6
215.06871	1.0
217.04994	0.7
219.06487	2.4
229.08525	0.8
229.47055	0.5
231.02855	0.6
233.08005	0.5
235.05988	0.8
241.09897	0.4
243.06425	0.8
245.04665	0.8
245.07985	0.6
247.09622	0.7
257.08102	0.8
260.06793	1.4
262.04758	0.5
273.07480	0.6
275.09024	3.6
277.07034	2.1
287.05331	0.8
292.96490	0.5
301.07001	0.6
318.13046	0.7
319.07999	1.2
319.12939	0.4
336.14774	0.7
337.09122	12.2
337.13370	0.7
353.88150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.99407	1.3
53.03920	2.4
55.05269	1.6
55.05507	15.6
57.03433	18.5
57.07078	2.2
65.03928	2.8
67.05499	60.8
68.05833	1.4
69.07063	14.2
71.04983	1.4
71.81253	1.7
73.88020	1.3
79.05488	32.2
81.07050	61.9
83.08598	5.4
85.06554	2.4
91.05476	16.0
93.07040	35.9
95.04944	2.5
95.08597	47.6
96.08950	1.8
97.06516	1.9
97.10189	2.9
99.08099	2.2
99.91469	1.2
105.07028	9.3
107.08581	19.1
109.10152	21.6
110.10529	1.9
111.08032	1.7
117.07024	3.5
118.97908	1.3
119.08549	7.2
121.10142	15.3
123.08054	1.6
123.11696	7.9
126.28629	1.2
131.08548	6.1
133.10118	7.8
135.11684	11.4
137.13231	3.5
145.10124	5.2
147.11705	3.9
149.13203	6.1
157.58163	1.4
159.11736	3.6
161.13248	3.3
163.14774	1.6
169.45854	1.2
173.13254	4.2
175.14835	2.1
187.14745	1.4
205.15746	1.4
243.21034	1.6
261.22018	6.8
335.25781	100.0
336.26138	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03921	3.1
55.01859	1.1
55.05505	18.0
57.03434	17.8
57.07053	2.7
58.50909	0.7
65.03937	1.9
66.68124	0.7
67.05496	67.4
68.05817	1.2
69.03394	1.2
69.06703	1.0
69.07059	17.2
69.99826	2.6
70.00248	2.2
71.04975	2.6
71.08594	1.0
79.05028	1.6
79.05486	36.3
81.07050	62.9
82.07360	1.0
83.04937	2.0
83.08627	6.2
85.06499	1.4
91.04933	1.0
91.05469	16.9
93.07033	43.0
94.07381	1.5
95.04977	4.4
95.08593	49.7
96.08932	0.9
97.06509	2.9
97.10133	3.3
98.20834	1.4
98.21373	1.1
105.07006	12.2
107.08581	19.9
108.08929	1.0
108.41826	0.8
109.06504	1.8
109.10149	21.0
111.08048	1.0
117.06993	3.5
119.08562	9.8
121.06471	0.8
121.10124	15.6
123.08067	1.3
123.11686	5.3
129.06952	0.9
131.08543	5.3
131.62682	0.9
133.10150	6.8
135.11665	10.4
135.87036	0.7
137.09688	1.3
137.13205	1.2
145.10046	4.9
147.11684	5.8
149.09612	0.9
149.13217	4.7
151.14804	0.8
153.05411	0.9
156.26102	0.8
159.11659	3.8
161.13170	3.9
163.14836	1.3
173.13234	2.7
175.11264	1.2
175.14757	1.1
177.05522	1.8
187.14839	2.1
195.06525	4.1
243.21080	1.9
261.12521	0.9
261.22110	4.1
289.24942	0.9
291.41397	0.9
317.24661	1.3
335.20190	5.4
335.25775	100.0
336.26102	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	335.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76095	0.5
52.69547	0.7
53.03924	2.9
55.01853	1.1
55.05503	16.4
57.03428	15.9
57.07058	2.4
59.04990	0.9
59.29225	0.7
65.03912	2.5
67.01866	0.8
67.05495	62.8
69.03408	2.2
69.07055	19.1
70.17696	3.3
71.04981	3.0
71.57339	0.6
72.73328	0.7
73.06538	2.4
75.04456	2.5
79.05482	30.9
81.03410	0.9
81.07046	62.6
82.07358	0.9
83.01334	2.1
83.04961	2.6
83.08616	7.3
85.06557	3.5
91.05471	17.8
92.05770	0.9
93.07033	39.0
95.04952	4.0
95.08592	48.6
97.06483	3.3
97.10133	2.4
99.04437	1.4
99.08085	1.3
101.95124	0.6
105.04485	0.8
105.06345	1.2
105.07017	15.7
107.08582	23.2
109.06512	2.3
109.09426	1.4
109.10141	20.3
111.08054	2.7
115.05437	0.7
117.07020	3.3
119.04943	1.5
119.08563	8.7
120.08842	0.8
121.02862	0.8
121.06488	2.4
121.10125	16.0
123.08021	2.2
123.11691	9.8
125.05962	0.7
125.09628	0.8
127.07494	0.8
129.05492	0.8
129.06949	0.7
130.07761	0.7
131.08557	8.2
133.10129	8.1
135.08023	2.8
135.10646	1.1
135.11678	19.0
137.05943	0.9
137.09586	1.5
137.13223	2.3
139.03856	1.1
141.05429	5.2
142.07706	1.0
143.08575	1.3
145.06511	1.2
145.10121	5.9
147.11682	4.8
149.05965	3.9
149.09619	1.0
149.13234	5.6
151.07486	0.9
151.11105	1.0
153.05434	2.2
155.08527	1.7
157.10158	1.8
159.08052	2.1
159.11632	4.5
161.09590	0.7
161.13268	3.6
163.07527	0.9
163.11125	1.4
163.14799	3.3
167.07022	1.8
169.10049	1.3
171.11687	1.3
172.08784	0.7
173.05850	0.7
173.09579	2.1
173.13239	5.2
174.06769	1.3
175.07536	1.1
175.11150	2.5
175.14821	1.0
177.05443	22.1
177.08920	1.1
177.12813	0.8
177.16389	1.3
179.14304	0.7
181.08588	1.8
183.07973	0.7
185.09601	1.9
187.07472	1.5
187.11176	1.6
187.14789	2.0
189.09131	4.2
189.12630	0.8
191.10652	1.8
193.08533	0.7
195.06508	69.5
196.06935	3.6
196.08574	1.0
197.13306	3.0
199.11195	0.7
201.09111	1.8
201.12703	1.2
202.09720	0.7
205.08507	1.0
207.10004	1.1
207.11752	1.3
210.10197	1.1
213.08968	0.9
215.10609	2.5
215.14273	1.0
217.12206	1.6
219.10162	2.8
225.12663	2.5
227.10547	1.0
227.14337	1.1
229.12225	1.1
233.11696	2.7
243.13771	2.6
243.21095	3.8
245.11768	2.2
257.08121	2.4
257.15338	4.8
261.22089	5.2
271.13257	4.7
273.22064	0.7
275.16428	4.5
285.14725	2.1
289.14389	1.5
293.99960	0.6
303.15863	14.4
304.16116	1.5
317.14014	1.3
317.17456	8.5
317.20999	0.8
317.24731	1.6
318.17975	0.9
335.12518	1.5
335.18671	32.6
335.25757	100.0
335.89920	1.7
336.18964	3.6
336.26080	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.8
53.03930	2.2
53.99811	0.8
54.44346	0.6
55.01851	1.8
55.05507	17.3
57.03165	1.0
57.03432	15.4
57.07068	4.6
62.88805	0.6
65.03919	2.7
67.05498	68.6
68.05804	1.4
69.03414	3.4
69.07062	73.3
70.07394	2.1
71.04987	5.9
71.08601	0.8
71.81229	1.0
77.03887	0.8
79.05486	32.2
81.03401	0.8
81.07047	61.8
82.07356	0.9
83.01327	1.4
83.04958	2.5
83.08607	7.5
83.74116	0.7
85.06521	1.2
88.05699	0.7
89.06005	2.5
89.66955	0.7
91.05465	18.8
91.06035	1.0
93.07037	39.7
94.07360	1.1
95.04961	5.6
95.08598	54.3
95.19077	0.8
96.08925	2.6
97.06503	3.1
97.10169	3.7
99.04447	4.2
99.08075	0.9
103.05414	0.7
105.03387	1.4
105.07021	16.8
106.07320	0.7
107.08582	22.4
109.06509	4.0
109.10145	21.2
111.04427	0.9
111.08031	1.9
117.06988	4.4
119.08580	13.0
121.06497	1.7
121.09265	1.2
121.10130	16.5
122.10514	0.8
123.08069	4.8
123.11704	8.0
125.06005	1.1
125.09606	1.6
127.11150	0.8
129.06992	1.8
131.08545	8.7
133.06468	0.8
133.08575	1.0
133.10127	9.2
135.08018	2.3
135.11681	10.6
136.11998	0.8
137.05983	1.4
137.09583	1.0
137.13191	1.2
139.03831	0.8
142.07838	0.9
143.08495	1.7
144.09332	0.7
145.06436	1.1
145.10107	6.3
147.08046	2.2
147.11653	7.3
148.12051	1.3
149.05946	2.9
149.09653	1.5
149.13228	4.8
151.07529	2.3
151.14787	0.8
153.05434	1.0
155.07047	1.0
155.08485	0.8
157.10120	3.0
159.11708	6.1
160.12030	1.0
161.09630	2.9
161.13234	3.1
163.07498	3.7
163.14792	1.7
165.07060	1.9
165.09094	1.4
165.58612	0.7
167.07027	2.1
167.08484	1.2
169.10049	1.5
171.07983	0.9
171.11728	1.1
173.09592	2.2
173.13281	4.1
175.07529	2.8
175.11165	8.2
175.14845	2.5
177.05510	3.4
177.12766	0.9
178.13065	0.8
179.07051	10.8
179.08559	1.8
179.10680	1.6
180.07327	0.7
180.09270	2.5
181.06470	1.4
181.08574	1.3
181.10112	1.6
185.09618	4.0
185.13269	1.1
187.11140	1.1
187.14848	2.1
189.09100	3.2
191.07011	31.1
191.10672	1.7
192.07701	3.2
193.10240	1.6
193.12067	0.7
193.53313	0.7
194.10786	1.4
195.06511	9.6
195.08133	1.3
195.10115	1.0
195.11700	5.5
196.08807	2.2
197.08054	2.8
197.13261	1.2
199.11446	0.7
199.14784	1.4
201.09103	1.6
201.16341	0.9
203.10651	13.4
204.09254	0.7
204.10988	1.0
206.10817	0.9
207.10057	0.9
207.11798	1.4
208.12480	1.0
209.08041	16.3
209.13370	3.9
210.08408	1.0
213.09087	2.8
216.07687	1.5
217.10109	1.2
219.10121	2.3
221.11533	1.1
221.13416	1.2
222.10339	1.4
223.11249	4.6
225.12573	0.8
231.10010	17.5
232.10455	1.1
232.12410	2.2
235.11314	1.2
237.12720	8.3
237.16335	1.2
238.13400	1.0
243.21013	1.9
245.13077	0.9
246.14040	1.8
247.11096	1.5
247.13197	15.3
248.13631	1.4
249.08623	1.8
249.11185	35.4
250.09436	1.1
250.11693	1.8
251.10669	1.9
252.11496	1.1
253.19504	0.8
259.11136	6.3
260.11777	2.8
261.11270	2.1
261.16464	1.8
261.22122	4.7
263.10687	2.8
264.11328	1.0
265.12125	6.9
265.14426	7.1
265.18341	0.8
267.12250	38.6
268.12521	3.5
273.12814	1.6
273.18933	0.7
273.22079	3.5
274.13553	7.1
275.11050	1.1
275.13770	3.6
275.16519	2.5
277.12277	0.9
278.12604	0.8
279.12228	4.4
287.10580	2.2
287.13834	0.9
289.12866	1.0
289.15875	6.8
290.16348	2.0
292.14444	1.2
293.11719	4.5
293.15210	2.1
299.19827	1.0
301.12192	0.9
302.12997	3.5
303.13547	1.7
305.11627	2.2
307.16824	5.3
308.17371	1.6
317.15002	13.6
317.21344	1.5
317.24628	0.9
318.15732	3.1
320.14038	1.9
321.14801	5.1
335.16153	21.8
335.18704	27.9
335.25757	100.0
336.16391	9.3
336.26108	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	335.221
Annotation	Prostaglandin C2
Peak:m/z	Relative Intensity
55.01851	0.9
55.05502	25.0
57.03419	1.5
57.07059	2.8
67.05501	8.4
69.03400	2.8
69.07056	22.4
69.65071	9.4
71.04978	1.2
73.19331	0.9
79.05458	2.8
81.07046	6.4
83.08606	4.2
91.04949	1.4
91.05459	6.7
93.07058	5.1
95.04940	1.5
95.08598	10.1
97.10151	32.0
97.32989	1.0
98.10416	0.9
98.21447	1.2
99.08069	1.3
103.65335	1.2
105.07013	34.2
107.08588	11.3
109.06440	1.9
109.10146	28.0
113.09589	2.4
117.06996	1.5
119.04904	2.6
119.08572	13.9
121.10149	6.9
123.04402	1.3
123.08042	1.5
123.11669	3.3
125.09610	6.2
127.11179	8.6
129.06973	1.8
130.07774	1.0
131.08542	3.3
133.06490	1.2
133.10123	3.9
135.08086	1.6
135.11723	1.6
142.07758	4.5
143.08530	3.0
143.10631	2.5
145.10089	13.4
147.11656	27.9
148.12041	1.6
149.05893	1.6
149.13193	1.3
151.11044	1.2
155.08479	1.2
157.10101	14.6
159.11678	9.1
160.43031	1.0
161.13220	1.7
163.11176	2.0
169.10071	3.4
171.11655	3.5
173.09607	10.6
173.13165	2.0
175.11163	100.0
176.11510	4.1
183.11668	1.9
185.13237	7.5
187.14777	4.4
189.16383	1.9
191.10631	11.6
193.12155	5.6
197.11690	3.4
197.13289	3.6
199.14815	7.0
203.14221	2.4
205.12210	2.5
211.14743	3.7
213.12816	1.6
213.16373	4.6
215.14246	5.3
217.15912	1.5
223.14812	1.3
225.12746	1.1
231.13875	2.5
243.13750	2.9
253.19408	9.3
255.21086	6.7
261.14841	10.2
271.20505	12.1
273.22095	50.5
274.22449	2.9
279.15921	1.9
281.18906	5.0
289.21744	1.9
299.20038	14.6
317.21014	14.1
335.22171	5.7
335.29822	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	335.1848
Annotation	NSC 302301
Peak:m/z	Relative Intensity
53.03928	2.9
55.01857	1.8
55.05505	15.6
55.70097	0.8
57.03426	15.0
57.07059	2.8
59.04993	1.1
65.03917	2.5
67.01859	2.2
67.05495	62.3
69.03417	1.4
69.07059	23.4
71.04971	3.5
71.81000	1.4
73.06544	2.0
75.04458	2.3
79.05481	30.7
79.65729	0.8
81.07044	66.3
83.01335	2.4
83.04972	2.9
83.08605	6.6
85.06535	2.6
91.05466	18.1
92.82102	0.8
93.07032	42.5
95.04961	6.7
95.08590	47.5
97.06518	4.0
97.10167	3.3
99.04497	1.9
99.08064	1.1
103.05433	1.1
105.03355	1.5
105.06309	1.4
105.07014	13.9
107.08575	22.7
109.06503	3.0
109.10142	21.4
111.08057	1.6
111.76415	0.8
115.05455	1.2
117.07011	3.7
119.04929	1.7
119.08556	10.3
121.06475	3.6
121.10128	18.7
123.08071	2.2
123.11679	10.6
125.09640	1.0
126.03128	1.8
128.06216	1.4
129.06987	2.3
130.07753	1.1
131.08540	6.9
133.06473	1.1
133.10106	7.7
135.08057	3.9
135.11671	24.6
137.09630	2.1
137.13251	2.1
139.03825	2.1
139.11111	0.9
141.05452	7.6
142.07741	2.2
143.08539	2.5
144.09314	1.1
145.06433	1.0
145.10094	8.4
147.11681	7.8
149.05988	4.0
149.09608	1.8
149.13216	6.2
151.11142	1.2
153.05492	2.7
155.08549	2.2
156.09280	1.2
157.10083	3.2
158.07243	0.9
159.08002	2.6
159.11708	6.0
161.09567	1.1
161.13275	4.1
163.07492	1.4
163.11128	2.3
163.14790	2.4
167.07068	1.4
167.08482	1.1
169.10046	1.8
171.06587	1.0
171.08015	1.1
171.11636	0.9
173.05946	1.1
173.09616	3.8
173.13226	3.2
174.06718	1.7
175.07622	1.9
175.11183	3.8
175.14838	1.2
177.05444	26.8
177.09087	1.6
177.12680	1.4
177.16364	1.7
177.87920	0.8
181.08643	1.9
182.10927	1.8
183.06531	1.2
183.08046	1.1
183.10138	0.9
183.11635	1.7
185.09584	1.3
187.07515	2.2
187.11263	2.2
187.14789	2.1
189.09116	5.4
191.10660	4.2
195.06503	85.8
196.06784	1.3
197.13274	4.9
201.09058	3.5
201.12714	1.4
207.10114	2.4
209.13199	1.2
210.10330	1.4
211.11278	1.1
213.12746	1.1
215.10664	3.9
215.14236	1.2
216.11449	0.9
217.12267	2.1
219.10144	3.1
225.12704	5.2
229.08540	0.9
229.12280	1.0
230.09494	0.9
233.11708	3.6
235.09628	1.1
243.13768	5.8
243.20995	3.1
245.11720	2.8
257.08041	3.3
257.15454	5.5
261.22055	6.0
271.13306	6.4
273.22141	2.1
275.16461	5.9
285.14761	2.6
289.14349	2.1
299.19934	1.1
303.15875	18.1
317.13852	1.5
317.17413	10.4
317.21039	2.2
317.24716	1.5
335.12531	3.3
335.18640	39.2
335.25745	100.0
336.18851	1.3
336.26062	1.0
356.08594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1848
Annotation	Acronyculatin B
Peak:m/z	Relative Intensity
55.01867	1.4
55.05514	6.5
57.03434	6.3
57.07043	1.8
57.36094	0.9
61.59688	0.9
67.05498	19.0
68.99783	1.2
69.03417	2.4
69.07062	17.1
69.64670	9.5
71.04980	6.5
72.04501	0.9
79.05490	11.3
81.07050	28.3
83.01320	1.4
83.04981	1.8
83.08604	3.5
85.02896	3.0
85.06539	1.3
91.05466	6.5
93.07040	15.7
95.04945	4.4
95.08598	22.2
97.06525	3.3
97.10155	2.3
98.20734	2.2
99.04426	1.5
99.08008	1.2
99.48260	1.1
105.03344	1.1
105.06999	8.4
107.04958	3.6
107.08594	8.9
109.02833	1.2
109.06512	6.7
109.10143	12.9
111.04425	4.4
111.08064	4.4
113.05997	11.0
117.07009	2.8
119.04983	1.2
119.08561	6.2
121.06492	20.6
121.10133	7.8
123.04435	9.3
123.08038	4.0
123.11691	6.8
127.03962	1.1
131.08553	3.4
133.10086	5.1
135.08049	5.1
135.11668	9.8
137.05965	5.7
137.09645	1.2
137.13235	2.0
139.07524	1.9
141.05466	3.5
143.08597	1.3
145.06479	2.3
145.10138	4.3
147.04427	2.2
147.08038	1.9
147.11682	3.4
149.05966	23.7
149.13243	3.7
151.03888	4.5
153.05521	1.2
155.07030	2.6
159.07994	1.5
159.11696	3.4
161.13251	2.4
163.07527	18.5
163.11180	2.4
163.14832	2.0
165.05397	6.9
167.07106	5.2
169.04941	5.4
173.09605	6.5
173.13272	1.9
175.03952	1.2
175.07660	1.6
175.11205	5.6
175.14850	2.0
177.05499	4.3
177.09024	1.1
179.07031	3.6
183.06499	1.3
187.11205	2.2
187.14781	1.2
191.07018	60.6
191.10600	5.9
192.07425	1.8
193.04921	13.9
195.06500	13.3
197.08075	2.6
201.09096	13.0
203.06995	11.9
203.10556	1.1
205.08548	1.1
205.12276	2.4
207.06595	1.2
207.10139	1.4
209.08075	62.9
209.11690	3.4
211.05988	13.4
215.10684	7.7
219.10144	16.0
221.08102	1.9
231.10161	2.7
231.13924	1.2
233.07968	1.4
233.11755	2.7
235.09576	4.9
237.11221	9.0
243.10194	11.8
243.21031	3.4
247.13284	2.9
249.11250	3.2
261.11194	42.5
261.22141	4.2
262.11594	1.5
265.14340	100.0
266.14761	3.2
267.12036	1.9
273.22098	1.1
279.12250	43.5
299.16492	2.1
317.17505	18.6
335.18546	76.2
335.25595	39.0
336.18768	3.3
336.25671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1849
Annotation	NSC 302301
Peak:m/z	Relative Intensity
52.42236	0.1
53.03931	0.5
55.01860	0.5
55.05245	0.2
55.05497	2.2
57.03431	0.7
57.07059	0.2
57.94868	0.1
59.04981	0.3
65.03912	0.2
67.01842	2.0
67.05152	0.2
67.05494	3.7
67.05853	0.2
68.01382	0.1
69.03413	0.4
69.07055	9.3
69.60050	0.2
69.60382	1.3
71.04974	0.3
71.08609	0.1
79.05477	1.9
81.07041	3.3
83.01322	1.9
83.04993	0.2
83.08610	0.7
85.06535	0.2
91.05459	2.0
93.03378	0.5
93.07028	4.4
95.04953	0.8
95.08595	3.0
97.06524	0.4
97.10148	0.5
98.20685	0.2
99.00815	0.2
103.05428	0.3
105.07010	1.4
107.04937	0.2
107.08580	3.4
109.02838	0.3
109.06496	0.9
109.10136	3.3
111.04426	0.4
111.11706	0.5
115.05415	0.1
117.07009	0.3
117.43320	0.1
119.08543	0.6
121.02845	0.9
121.06489	2.5
121.10101	0.9
123.04403	0.8
123.08051	0.2
123.11687	2.4
124.53931	0.1
125.05954	0.3
125.09599	0.1
127.03902	0.2
127.11126	0.1
128.06180	0.2
129.06984	0.2
131.04875	0.3
131.08556	0.6
133.06511	0.2
133.10100	0.4
135.04395	0.4
135.08069	0.2
135.11670	3.4
137.05965	0.6
139.03880	3.4
141.05415	0.2
141.07018	0.2
145.06461	0.2
145.10104	0.4
147.07961	0.2
147.11688	0.6
148.05168	0.2
149.05963	6.0
149.09547	0.1
149.13211	0.2
150.13939	0.1
151.07501	0.2
151.11075	0.1
153.05452	2.6
153.12730	0.4
157.10138	0.2
159.04289	0.2
159.08009	0.6
159.11636	0.4
161.05969	0.7
161.09601	0.2
161.13255	0.2
163.07513	0.4
165.05449	0.8
165.09045	0.2
165.12729	0.3
167.03395	0.2
167.07031	1.7
171.07990	0.3
173.05983	0.3
173.09613	0.2
173.51465	0.1
175.07535	0.2
175.11186	1.0
177.05444	30.5
178.05748	0.6
179.07021	2.0
179.10545	0.2
183.06491	2.0
185.13310	0.1
187.07545	0.8
189.05418	0.3
189.09154	0.2
191.07004	1.5
191.10625	0.2
193.08536	0.4
195.06497	100.0
196.06842	1.9
197.13170	0.1
201.05399	1.0
203.10742	0.1
205.08600	0.3
207.06514	3.9
207.09845	0.6
209.08055	1.9
215.06992	4.4
216.07372	0.1
217.08568	0.2
219.06494	1.5
219.10133	0.4
221.08072	0.5
221.11588	0.2
229.08298	0.2
231.10147	0.6
233.08052	9.7
233.11717	0.3
234.08447	0.3
235.09482	0.8
237.11099	0.2
243.10048	0.3
246.08672	0.2
247.09593	0.8
249.08604	0.3
249.11183	6.5
250.11485	0.2
261.11163	1.5
261.22003	0.2
265.14435	0.3
267.12213	0.2
273.22083	0.5
275.12674	0.5
275.16428	0.4
277.12122	0.1
292.14706	0.2
299.20016	0.2
307.16837	0.2
317.17447	12.2
318.17737	0.4
335.19022	3.2
335.25723	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	335.1847
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
53.00297	0.7
53.03938	0.8
55.01854	1.7
55.05495	1.6
57.03411	0.6
57.07064	3.1
58.06583	0.6
60.46129	0.5
65.46711	0.5
67.05492	4.7
69.03411	1.6
69.07065	3.9
70.06587	4.9
71.04984	17.3
71.06903	0.8
71.79971	0.8
72.08131	0.8
79.05490	4.6
80.64825	0.6
81.03396	0.8
81.07047	10.3
83.04969	1.2
83.08633	0.8
85.02898	0.7
85.06524	1.3
88.07622	1.6
89.06010	4.5
91.05459	4.2
93.07027	11.4
95.04967	4.0
95.08586	6.9
97.02878	0.5
97.06509	2.8
97.89714	0.5
99.00787	2.4
99.04436	0.6
103.05441	1.3
105.06343	1.0
105.07018	17.3
107.04941	1.0
107.08585	6.8
109.06510	3.7
109.10150	4.6
111.04423	0.7
111.08096	0.8
113.02356	0.9
113.05992	5.3
117.06998	2.0
119.08561	6.0
121.06482	2.5
121.10126	100.0
122.10411	0.9
122.10964	0.8
123.04405	5.3
123.08077	4.3
123.11689	13.3
125.02341	5.8
125.05997	1.8
127.03863	1.3
127.07579	1.1
127.21920	0.5
128.06233	0.8
129.07010	1.2
131.08525	2.7
132.10176	1.5
133.06490	1.4
133.10051	3.1
135.08020	1.7
135.11664	10.6
137.05965	0.9
137.09573	0.8
139.11147	1.2
142.07747	1.4
143.03380	1.0
143.08536	1.3
145.06448	0.8
145.10086	4.6
146.11797	1.2
147.11656	3.8
149.05957	2.3
149.13269	0.6
151.07542	2.2
153.05406	2.8
155.08514	0.7
157.10127	2.8
159.08040	1.6
159.11710	4.8
161.06007	1.0
161.09598	1.4
161.13271	0.7
163.07558	1.2
163.11078	0.6
165.05431	1.4
167.07027	2.4
169.08604	2.0
169.10069	1.1
171.08092	0.7
171.11711	1.4
173.09573	3.0
173.13231	1.2
175.11154	5.8
177.05489	3.9
177.09171	0.8
177.12752	2.4
179.07071	3.1
181.77382	0.6
183.06516	1.0
183.11703	1.3
185.08214	0.7
185.09535	3.1
187.11153	4.4
191.07018	0.8
191.10648	2.8
193.12190	1.6
195.06517	12.7
195.11620	0.7
197.08063	7.4
197.09685	0.8
197.13243	0.9
199.11201	1.0
201.09225	0.6
201.12697	4.6
203.10638	8.5
205.12285	3.2
211.11151	1.2
213.07492	10.9
213.12859	1.1
215.10841	1.0
219.10155	1.0
219.13826	1.1
221.11682	3.4
223.13217	0.7
227.10603	1.0
228.23215	0.8
229.12180	9.7
229.23523	3.4
231.10175	3.3
231.13762	0.7
243.17398	1.2
245.11655	1.4
247.13275	10.8
253.15878	1.2
255.17416	2.7
257.11850	1.1
257.15240	0.7
261.18594	1.1
265.14511	0.7
271.16895	5.4
272.25818	1.7
273.18475	2.5
273.26151	8.7
275.12778	0.7
281.15350	2.0
289.17920	2.4
291.19662	0.7
299.13086	1.1
299.16376	13.1
317.13995	0.9
317.17447	20.5
317.20859	0.7
318.17490	0.6
334.29547	1.3
335.09433	0.9
335.18524	29.9
335.29782	31.4
336.18820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.05495	1.7
63.45662	0.9
65.03912	2.9
67.05484	6.2
69.07059	100.0
69.27139	1.0
70.06570	1.1
70.07368	0.8
70.31174	0.9
71.04978	1.3
71.81515	1.5
79.05483	2.1
81.03414	1.6
81.07045	7.6
82.06561	1.5
83.04977	1.3
89.28675	1.1
91.05454	1.4
92.04996	3.1
93.07016	1.8
94.06546	3.9
95.04926	2.0
95.08578	3.0
97.06518	17.5
105.06991	3.1
107.08557	2.0
109.02847	2.2
109.06512	1.3
109.10114	1.6
110.06004	1.2
117.06964	1.3
119.08510	2.1
121.06461	1.2
121.10124	3.5
122.06010	9.2
123.20338	0.9
124.07600	2.4
125.05943	2.0
131.08595	1.5
132.08080	1.5
133.10147	1.3
137.05954	2.8
137.09564	1.3
137.13187	1.5
138.05461	5.2
139.74431	1.0
140.07056	8.5
143.08456	1.2
144.08076	2.4
145.08827	2.4
145.09956	2.1
146.09604	3.9
147.11613	1.0
148.03917	2.0
150.05484	82.2
152.03464	1.1
155.14275	1.1
157.08884	1.8
157.10049	1.7
158.09558	1.4
161.08336	3.5
162.09135	3.3
164.03339	1.3
166.04979	31.9
166.06396	1.7
168.06490	1.4
172.07518	1.2
172.11177	4.6
173.08299	2.7
173.09689	1.1
174.09143	1.9
174.12747	6.2
175.11227	1.2
176.03412	8.7
178.05002	2.4
185.08310	1.6
188.10721	2.2
190.12230	4.3
194.04437	3.4
198.07710	1.1
200.10707	8.1
202.12231	8.0
216.10225	3.4
218.08221	1.9
218.11726	31.3
225.10216	1.1
226.08759	1.1
228.10168	17.8
229.13286	1.9
231.13542	1.1
234.11227	4.3
244.09634	2.9
244.13193	1.0
245.12909	2.1
246.11227	26.9
257.09131	1.5
259.10754	1.0
261.08621	1.7
261.12402	1.3
271.10742	4.1
272.09076	3.6
273.12311	3.8
274.10678	3.1
275.04453	6.2
277.14099	1.1
287.10248	7.9
289.11765	13.3
290.10245	2.4
292.13745	1.6
299.10147	4.4
310.43286	1.1
317.11264	32.4
317.17020	1.5
335.08514	2.1
335.12311	35.3
336.12756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
56.05008	1.2
56.96558	30.9
57.03440	1.8
60.04509	1.6
61.02908	3.5
61.25394	1.1
65.03934	2.1
67.05479	1.5
69.03425	8.1
69.07056	2.0
70.03726	1.2
70.06573	2.1
71.80477	1.4
71.95258	1.3
73.02902	2.9
73.06515	1.4
74.06061	1.3
77.00906	1.1
78.55462	1.0
79.05482	2.2
80.04987	1.0
81.03405	2.9
81.07040	1.6
83.04982	1.8
84.04500	2.0
84.08123	2.9
84.96022	5.0
85.02886	18.3
86.03227	1.2
86.06015	1.5
87.04432	2.1
89.03902	10.5
91.03952	1.4
91.05463	5.4
93.07030	1.1
95.04954	2.3
95.08569	1.7
97.02879	10.4
98.97572	36.0
99.04414	1.7
100.99130	1.2
101.00854	6.4
105.00306	1.2
105.03325	1.4
105.07044	2.1
107.04945	4.5
108.08086	2.6
109.02856	2.6
109.06499	1.2
109.08448	3.8
110.97527	6.2
111.04449	1.8
112.99153	2.1
113.00849	2.4
114.05490	1.9
115.02410	2.0
116.98607	27.7
116.99398	1.9
117.03362	7.9
119.00204	2.0
119.01905	24.1
119.04916	6.7
120.05296	1.3
120.08140	2.6
123.04499	2.4
123.05541	6.8
124.99080	1.6
127.00697	2.5
127.03912	4.1
128.98602	10.7
129.03951	1.9
130.05038	1.3
130.06511	3.3
130.08598	2.9
131.00171	3.9
131.01903	13.4
131.05521	3.2
133.01756	2.5
133.03493	3.1
134.99648	15.7
135.04393	19.0
136.04736	2.6
136.07481	1.2
137.02957	3.2
137.05923	2.6
139.03944	1.1
143.00218	8.1
143.01889	34.2
143.03590	1.5
144.98102	2.4
145.01697	5.8
145.02841	8.1
145.03633	2.5
145.04958	2.5
146.99634	11.6
147.01421	1.1
147.03302	1.2
147.04356	20.3
148.04762	1.9
149.01160	4.9
149.02945	1.9
149.06633	5.3
153.00696	2.0
155.01868	14.2
156.02760	1.1
157.03448	2.9
158.99646	9.8
159.03328	1.6
159.04974	2.6
161.01254	9.3
161.02954	54.1
161.04744	5.2
162.03171	1.9
162.99153	6.2
163.02725	7.3
163.03886	76.4
164.04184	6.6
165.00645	2.6
165.04340	1.4
169.01787	1.2
169.03375	1.5
170.99637	3.5
171.03387	1.3
171.04973	2.7
173.01448	1.9
173.02951	16.9
173.04855	4.9
173.06599	16.3
173.07965	4.9
174.03485	1.1
175.04512	1.9
175.08586	1.2
175.11240	1.4
177.00690	14.9
177.04247	2.1
177.06017	3.9
179.07185	1.2
181.00203	2.2
181.03783	1.9
184.04631	3.0
185.01259	1.4
185.02959	2.5
185.06554	18.4
186.07050	1.1
187.02773	4.8
187.04457	2.8
187.08185	3.4
189.00685	5.6
189.04308	2.5
190.98637	1.9
191.02281	4.8
191.04176	2.0
191.05887	11.6
191.07629	8.6
197.06554	1.9
199.08286	1.3
200.02388	1.2
201.00671	2.4
203.02286	2.0
203.04002	7.7
203.05534	1.1
203.06117	1.0
203.07599	8.5
205.00140	2.9
205.03772	3.0
207.01604	1.7
208.99687	3.0
209.06921	4.5
213.00722	1.3
215.02205	2.7
215.04037	2.3
215.05821	4.0
215.07661	9.6
219.01724	17.4
221.05049	18.4
223.01129	5.5
227.07736	1.3
227.57080	1.4
229.03703	1.9
231.01811	4.0
233.06911	2.8
237.00740	1.3
237.02788	36.4
238.03117	1.5
244.58223	1.9
245.05058	1.8
245.08504	1.7
247.01164	1.8
249.02931	3.7
255.03781	2.2
257.08780	5.5
259.04565	1.4
267.03909	1.9
275.06119	5.0
275.09732	25.2
279.03815	1.9
289.05844	6.0
293.05484	2.4
293.10785	64.2
294.11102	1.8
307.06958	12.8
310.09094	1.9
310.60092	1.8
312.02335	3.2
314.05167	1.4
315.03818	2.4
316.12433	3.6
317.05426	1.8
317.08841	1.3
317.12921	3.1
318.12946	2.4
330.08936	1.3
332.06433	7.4
333.04858	2.5
335.06421	3.0
335.12732	100.0
336.13983	2.2
353.07443	11.2
353.11298	9.2
354.07697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
55.01850	1.1
57.03425	1.6
58.34938	0.6
61.02629	0.5
61.02912	3.7
69.03419	5.3
71.52203	0.6
71.52534	0.7
71.60596	0.5
73.02898	1.1
81.03397	2.2
85.02892	26.7
87.04494	0.8
91.03949	1.3
91.05469	9.8
91.69525	0.5
97.02874	7.6
98.62954	0.7
98.98463	1.0
99.04424	1.9
109.02872	1.9
109.06489	1.0
119.04927	7.2
122.97520	0.6
127.03891	5.0
133.06587	0.6
135.06808	0.6
137.05957	100.0
138.06299	2.5
141.63533	0.6
145.04945	6.7
151.03847	0.6
151.07547	1.2
155.07024	11.1
155.08209	1.1
159.09134	1.2
163.03879	0.6
163.05981	0.9
167.06873	0.7
172.09648	1.3
179.03319	0.6
179.07039	2.7
180.08611	5.5
203.06892	1.1
204.07259	0.8
221.07994	1.1
263.09137	2.0
270.75040	0.6
281.10190	1.0
317.11322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92286	2.3
53.03937	2.7
55.01857	3.1
55.05498	17.6
57.03419	3.6
57.07056	8.1
67.05495	70.0
68.99780	3.4
69.03395	4.7
69.07066	25.2
69.56306	2.1
71.04976	10.8
71.81205	1.9
71.81615	2.9
79.05479	20.1
81.07046	100.0
83.04960	5.0
83.08618	17.2
85.06542	7.1
91.05462	13.9
93.07037	26.2
95.04958	6.9
95.08593	88.4
95.09205	4.6
96.08941	2.2
97.06507	7.9
97.10163	11.6
98.98447	32.8
99.04419	2.3
103.05447	3.5
104.02083	2.3
105.03381	78.5
105.07007	16.1
106.03771	2.6
107.04948	3.6
107.08572	21.7
109.06501	6.5
109.10142	53.9
111.07973	2.2
111.11684	4.5
113.09696	3.3
114.98770	2.2
117.06966	5.4
119.08565	11.7
121.06487	8.6
121.10121	25.5
122.03638	2.7
123.04446	6.3
123.08044	6.7
123.11711	29.5
125.09621	8.6
131.08574	7.1
133.06496	5.3
133.10118	9.5
135.08092	3.5
135.11662	11.8
137.02371	3.0
137.05957	44.0
137.09554	4.6
137.13219	12.8
139.11139	2.8
141.07027	2.5
141.09081	5.4
145.10110	8.1
147.04401	9.0
147.11646	9.3
149.09576	4.0
149.13243	7.1
151.03847	2.3
151.07524	5.4
151.14764	3.8
157.10062	3.2
159.07986	3.0
159.11671	5.7
161.05975	2.8
161.13239	7.5
163.07529	3.5
163.11153	5.6
163.14842	4.3
165.06990	2.8
165.12737	6.4
167.07016	48.9
168.07385	3.5
171.08058	2.5
173.09622	5.6
173.11743	3.7
173.13231	6.7
175.11160	5.5
176.98920	7.2
179.14334	3.3
181.06418	2.9
181.08514	4.4
181.12050	2.6
187.14835	6.5
189.01985	3.1
189.09132	4.1
191.03319	16.7
193.08699	3.8
195.08104	2.5
201.16347	2.6
203.06993	6.2
205.15764	4.0
209.15340	3.0
213.08952	3.2
223.17084	3.8
231.06528	5.4
231.10106	4.1
243.21111	9.8
261.21976	14.7
269.11649	5.8
271.09525	2.2
271.20642	5.0
273.03949	8.4
279.23172	82.3
279.26212	4.6
288.09970	14.1
291.16354	2.8
297.11316	5.4
297.14804	4.7
297.24139	2.9
301.10718	6.9
303.12299	2.7
315.08438	4.2
315.12195	7.9
315.15915	10.3
315.19537	8.0
333.06192	3.2
333.12833	7.8
333.16998	10.0
333.20667	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25654	1.9
51.96721	1.8
51.99035	1.7
53.03944	3.4
55.01872	2.3
55.05504	14.2
57.03410	2.9
57.07060	3.6
67.05495	50.1
68.99780	4.2
69.03406	4.3
69.07057	19.1
70.22484	4.5
70.22919	6.4
71.04982	7.4
71.08279	2.0
75.51364	1.7
78.04713	3.7
79.05486	12.7
79.61440	1.9
81.07048	66.0
83.04981	5.0
83.08611	9.4
85.02888	1.7
85.06547	3.9
91.05480	11.8
93.07044	19.7
95.04981	9.6
95.08597	65.4
97.06548	3.0
97.10149	9.0
98.21421	2.1
98.98463	32.1
99.04415	2.1
99.08057	2.5
105.03386	100.0
105.07013	19.2
106.03693	4.8
107.04932	3.8
107.08585	15.9
109.02878	37.6
109.06515	3.7
109.10152	36.9
111.04436	3.5
111.08109	3.2
111.11745	2.0
113.05981	2.1
117.07028	4.5
119.04881	2.0
119.08578	9.4
121.06491	6.5
121.10115	17.1
122.03680	6.2
123.04431	7.5
123.08057	8.4
123.11687	17.2
124.05195	3.5
125.09631	9.7
128.06200	2.3
131.04865	2.3
131.08548	6.5
133.06470	4.4
133.10120	10.2
135.04414	2.4
135.11719	9.1
137.05972	74.0
137.13287	5.7
138.06371	3.6
139.03856	5.2
141.09087	4.9
145.10118	5.4
147.04401	14.3
147.08101	2.2
147.11671	11.5
149.05936	2.4
149.09734	2.3
149.13249	4.0
151.03873	6.4
151.07550	7.4
151.11174	5.0
153.05515	2.6
153.06934	3.0
157.10130	3.1
158.16798	2.2
159.11740	5.1
161.05969	2.1
161.13248	3.1
162.05466	15.0
165.05589	2.3
165.06963	3.6
165.12729	3.7
167.03366	2.3
167.07027	70.6
167.10779	2.7
168.07368	3.3
171.11845	2.0
173.09631	3.8
173.11742	3.5
173.13255	3.6
175.11191	4.1
176.98975	5.5
179.06992	2.3
179.14270	5.3
181.06462	3.4
181.08653	4.6
185.04422	3.9
185.05922	2.2
185.13347	2.1
187.14796	4.6
188.04727	2.4
189.09016	2.3
191.03381	19.0
191.06932	2.3
197.06006	2.4
199.07491	4.8
203.07042	5.9
208.06003	10.7
209.15425	2.9
213.12727	1.9
223.16881	3.4
227.07059	5.6
231.06584	5.8
241.08577	3.0
243.06503	2.8
243.21086	6.3
245.08167	4.4
255.06615	3.5
256.07211	2.7
261.22095	11.4
269.08145	3.3
269.11588	7.4
270.12070	2.2
271.09637	6.8
271.20471	5.0
273.03940	11.2
273.11069	2.9
279.23178	62.7
283.09479	2.9
287.09399	2.0
287.12778	4.4
287.19940	1.9
288.09943	21.4
289.10199	3.1
297.11121	9.8
297.24319	3.5
300.41519	2.1
301.10648	6.8
303.12482	4.7
315.09079	13.4
315.12601	8.9
315.15802	3.7
315.19516	8.0
315.22961	2.8
333.06116	3.0
333.13156	4.6
333.16907	3.3
333.20636	8.1
338.49579	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41100	0.4
53.03957	0.8
53.53468	0.5
55.01869	1.1
55.05506	1.6
55.95080	0.4
57.03434	2.0
57.07073	2.8
59.04998	0.5
65.03944	0.4
65.67119	0.4
67.05492	4.4
69.03416	1.3
69.07063	1.6
71.04979	7.5
71.81824	0.7
75.72559	0.4
77.76702	0.3
79.05477	4.3
81.07053	3.1
83.01328	10.6
83.04961	0.8
85.02889	2.4
85.06533	1.7
89.06042	0.7
91.05465	5.0
91.29004	0.4
93.07030	11.8
95.04957	2.7
95.08591	6.1
98.98456	0.8
99.04439	0.8
103.05467	1.4
105.07014	19.7
105.07725	1.0
106.07833	0.6
107.08578	9.7
109.06518	1.4
109.10133	2.4
113.05991	30.5
115.05406	0.5
116.06205	0.5
117.07008	2.9
119.08556	5.4
121.06528	2.4
121.10126	100.0
122.10422	1.2
123.08052	5.1
123.11614	0.4
125.05964	3.1
127.03893	2.6
128.06265	0.5
129.06985	0.7
130.07770	3.1
131.08536	1.8
133.06551	0.7
133.07602	0.8
133.10107	12.3
135.08046	0.5
135.11673	15.6
136.11938	0.6
137.05948	1.0
137.13220	3.7
139.07520	0.5
139.11241	0.4
141.06943	0.7
142.07587	0.6
143.08517	2.1
145.06432	0.5
145.10097	16.5
147.07944	0.7
147.11678	2.0
149.09567	0.8
151.07518	11.2
151.09520	0.6
153.06906	0.7
155.08469	0.7
157.10101	1.6
159.08041	1.0
159.11694	1.0
161.09596	1.8
161.13191	0.8
163.07613	0.5
163.09785	1.0
163.11159	17.1
165.12717	1.6
168.09267	1.6
169.08612	4.1
169.10027	0.6
171.08020	1.2
173.09590	59.7
173.28677	0.4
174.09958	1.0
175.11137	1.1
175.14815	2.2
177.09084	0.8
179.07016	0.6
179.10747	0.4
183.11702	2.5
185.09595	1.3
185.13213	1.3
187.07481	4.7
187.11186	0.5
191.10637	7.4
193.15836	0.6
195.10156	4.4
197.08066	4.9
199.14771	0.8
201.09102	0.5
201.12672	2.5
203.14296	9.4
209.11604	1.0
211.11159	7.3
212.11798	1.0
214.09892	0.6
219.13866	0.6
221.15337	14.0
227.14275	6.1
229.12206	20.6
230.12503	0.6
245.15340	8.3
247.13245	5.5
263.16388	1.3
269.18970	1.3
287.20151	0.9
297.18420	2.9
315.15732	0.7
315.19498	14.2
333.21008	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2055
Annotation	Horminone
Peak:m/z	Relative Intensity
53.03937	0.7
55.01841	0.5
55.05492	2.3
57.03421	2.0
57.07067	6.8
59.04992	3.3
59.74854	0.4
60.95445	0.5
65.03936	0.5
67.05492	4.5
69.03416	1.6
69.07053	3.0
71.04985	7.7
71.08626	3.2
71.81802	0.5
71.82218	0.6
74.09624	0.5
77.03918	0.6
79.05486	3.7
81.07042	2.6
83.01334	8.1
83.04958	1.3
83.79768	0.4
85.02880	1.5
85.06524	1.7
85.10167	2.4
89.06009	2.9
91.05458	5.0
93.07029	15.2
94.07357	0.9
95.04961	2.1
95.08596	6.6
97.06496	0.8
98.98432	2.6
99.04448	0.7
99.11717	0.6
103.05481	0.8
105.07018	19.0
107.04940	0.5
107.07899	0.9
107.08582	12.8
108.08929	1.3
109.06500	2.3
109.10126	3.2
111.04429	1.5
113.05994	24.7
117.07005	3.0
117.09126	0.5
119.08570	6.5
121.06528	3.5
121.10129	100.0
122.10437	4.2
123.08049	5.8
123.11715	1.0
125.05978	3.1
125.09676	0.5
127.03882	2.9
128.06250	0.5
129.06970	1.2
130.07759	2.4
131.04924	0.5
131.08536	1.7
133.07623	1.1
133.10123	13.9
135.08067	1.4
135.11671	21.1
136.08321	0.6
136.12003	1.2
137.05984	1.2
137.13246	4.3
139.07504	0.5
139.11159	1.0
141.09106	0.7
142.07735	0.9
143.08571	1.8
143.10646	0.6
145.10101	13.9
146.10410	0.7
147.11691	1.8
149.05956	0.9
151.07518	10.8
151.09630	2.1
153.09113	1.3
155.08542	0.6
157.10123	1.4
159.08063	1.0
159.11638	0.8
161.09615	1.6
163.07533	1.4
163.11166	17.5
164.07889	0.7
164.11554	0.9
165.09163	0.7
165.12737	2.2
168.09450	0.8
169.08643	4.1
169.09930	0.8
171.08040	1.2
173.09596	42.9
173.13165	1.6
174.09972	2.2
175.11250	1.0
175.14799	2.6
181.08611	0.7
183.11702	1.9
185.09634	1.1
185.13272	1.6
187.07549	3.0
189.09032	1.1
191.07007	3.2
191.10634	5.9
192.07297	5.8
192.08730	0.5
193.07571	5.4
195.10153	4.5
197.08073	5.0
199.14813	0.6
201.12749	2.1
203.10713	0.6
203.14284	10.7
203.16061	0.9
204.14697	0.5
209.08093	3.4
209.11537	0.7
210.08408	7.5
211.08630	10.5
211.11166	5.3
215.14238	0.6
217.15846	0.9
221.15352	13.6
227.14331	4.3
229.12199	15.3
230.12617	1.5
245.15326	13.2
246.15662	1.0
247.13281	4.9
263.16571	0.6
269.19031	1.1
287.20093	1.8
297.18576	3.8
315.19516	21.7
316.19891	2.2
333.16711	1.0
333.20493	14.7
334.20834	1.2
334.27393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2055
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
53.41421	1.3
55.05499	5.5
55.87495	1.5
57.07067	6.0
67.05499	6.2
69.03421	6.5
69.07059	38.0
70.12036	1.6
70.99487	3.6
70.99847	1.8
71.04985	1.7
71.08625	2.8
79.05467	7.2
81.07039	7.9
83.01331	10.3
83.08614	2.2
85.06536	1.6
89.05994	2.5
91.05480	5.1
93.07029	14.0
95.08588	18.7
97.10159	3.8
97.86682	1.4
98.98461	3.5
101.02385	2.7
103.24883	1.4
105.07018	21.0
107.08574	17.2
109.10125	11.5
113.06010	2.3
117.07019	2.7
119.08545	10.8
121.06499	2.3
121.10129	100.0
122.10482	2.5
122.19513	1.5
123.08052	9.4
123.11720	4.7
127.03909	3.4
129.07040	1.5
131.08545	5.9
133.06480	2.7
133.10106	9.2
135.08044	5.4
135.10812	2.1
135.11658	10.4
137.09598	2.9
137.13234	3.3
137.43468	1.4
139.11131	1.8
143.08554	2.8
145.10089	13.3
147.11716	6.0
149.09618	6.0
151.07550	4.3
151.09694	2.3
151.11067	1.4
153.09073	2.3
155.08571	1.4
157.10118	5.9
159.08092	2.2
159.11679	3.6
161.09543	1.9
163.11183	11.4
169.08630	1.8
169.10149	1.9
171.11659	3.6
173.09608	29.3
173.13226	3.3
175.11226	2.2
177.09064	1.7
183.11687	3.8
185.13235	3.3
187.11226	2.0
191.10689	6.9
197.13280	2.9
199.11227	2.7
199.14958	1.9
203.14374	1.9
209.13278	2.7
211.11276	2.0
211.14868	2.1
213.12837	2.6
213.16364	1.9
215.14351	4.1
219.13815	2.0
227.14317	2.4
229.12271	13.3
229.15784	1.9
241.19574	8.0
247.13272	11.8
269.19049	14.6
271.20618	11.7
287.19919	7.1
289.21658	5.9
297.18536	3.6
305.20886	1.9
315.19495	15.1
333.17258	2.6
333.20642	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	333.2054
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03937	1.4
53.87012	0.9
55.05493	5.1
56.05019	1.1
57.03416	2.8
57.07066	7.5
67.05487	9.5
68.52302	1.0
69.03413	4.4
69.07056	18.6
71.04982	4.1
71.14886	1.0
71.21781	2.5
79.05485	11.5
81.07040	10.9
83.01327	8.0
83.04970	1.7
83.08600	1.4
85.02888	2.4
85.06517	2.5
88.35471	1.0
91.05470	10.6
93.07030	20.7
95.04952	3.3
95.08594	17.7
97.06515	11.2
97.10163	1.7
98.98447	23.9
100.98845	1.4
103.05457	1.8
105.07014	25.4
107.08582	18.9
109.06493	4.4
109.10141	12.3
111.04404	1.7
111.08086	1.1
113.05978	13.2
117.06997	4.0
118.77190	1.1
119.04929	1.8
119.08560	17.8
121.06472	4.6
121.10119	100.0
123.04392	3.1
123.08043	9.5
123.11700	6.1
125.05962	2.8
127.03899	3.9
127.07581	1.6
129.06973	2.2
130.07785	1.4
131.08540	7.1
133.06523	1.9
133.07564	1.6
133.10092	16.5
135.07990	5.6
135.11667	21.4
137.05896	1.5
137.09587	2.7
137.13206	4.3
139.03903	1.1
139.11122	2.2
142.07759	1.4
143.08539	3.7
145.06476	1.6
145.10097	18.5
147.08041	2.6
147.11641	5.3
149.05945	1.3
149.09552	5.3
149.13263	1.5
151.07516	5.7
151.11157	1.8
153.05392	2.1
155.08551	1.3
157.10124	6.7
159.08026	14.2
159.11674	5.8
161.06015	1.4
161.09645	3.2
161.13254	1.9
163.07497	1.5
163.11163	20.0
163.12462	1.7
165.05328	1.5
165.12758	1.7
167.03302	2.1
169.04929	1.1
169.08598	4.6
169.09961	2.2
171.11638	4.4
173.09602	33.2
173.13205	2.9
175.07626	1.8
175.11218	3.5
175.14743	1.2
176.98958	3.3
177.09123	1.8
179.07030	1.4
181.04939	4.0
183.11638	3.0
185.09634	3.4
185.13239	5.2
187.07521	3.1
187.11212	3.1
188.04738	1.9
189.09088	2.3
189.12752	1.8
191.07086	1.8
191.10619	6.9
191.14253	3.3
193.04936	7.5
195.10049	4.0
195.11702	2.1
197.08025	3.3
197.13203	1.6
199.11188	3.3
199.14792	2.4
201.09090	3.1
201.12723	2.8
203.07037	2.4
203.10619	3.0
203.14276	6.7
208.12497	1.3
209.13312	1.7
211.11122	3.2
211.14818	1.3
213.12711	5.0
215.10649	5.1
215.14273	2.9
215.18028	1.0
217.08572	1.3
219.10168	2.9
219.13754	5.0
221.15286	7.7
227.14284	6.0
229.12180	10.2
229.15793	1.4
230.12782	1.4
231.06526	2.5
231.10222	1.2
233.15413	1.3
235.09618	1.2
237.11218	1.6
237.14766	3.8
241.19501	5.1
243.13664	1.3
245.11650	1.4
245.15369	9.1
247.13203	8.5
249.07549	1.8
251.17906	1.6
259.13226	1.5
259.20670	1.3
263.12775	1.4
269.18918	12.4
271.13254	1.2
271.20499	8.4
287.19958	2.9
289.14548	1.6
289.18356	1.3
289.21634	3.6
297.15070	2.1
297.18475	8.4
305.21158	1.7
315.15884	5.7
315.19440	34.9
315.23038	1.5
333.09714	1.6
333.16959	6.3
333.20572	19.6
333.24374	4.7
333.31903	3.9
341.30426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
54.77699	1.9
55.01867	3.4
55.05497	7.2
57.07064	8.2
67.05513	11.7
69.03410	9.8
69.07059	45.7
69.59914	2.2
71.05013	3.3
71.80619	3.1
79.05483	10.2
81.07033	12.8
83.01328	8.2
83.04978	6.4
83.08589	2.2
85.02893	3.3
85.06546	3.0
85.40845	1.9
91.05450	11.7
92.97607	2.4
93.07030	26.6
95.04977	2.7
95.08592	23.2
97.06492	10.1
97.10157	4.4
98.98458	30.2
101.02407	3.0
104.26887	1.9
105.07011	28.4
107.08569	21.3
107.38431	2.2
109.02868	3.3
109.06506	5.0
109.10138	30.9
113.05945	3.2
114.71448	2.0
117.07023	5.3
119.08554	13.8
121.06500	16.6
121.10130	100.0
123.04430	5.1
123.08063	9.8
123.11682	12.1
128.06206	2.5
129.06963	2.3
130.07764	2.8
131.08566	6.7
133.06523	3.0
133.10138	16.1
135.08064	5.5
135.11668	24.0
137.05948	2.8
137.09644	3.6
137.13268	2.0
139.03871	2.7
139.11127	2.5
141.06911	2.5
142.07802	2.8
143.08557	6.7
145.06471	2.5
145.10109	17.5
147.07976	5.4
147.11639	12.5
149.09570	10.4
149.13167	3.0
151.07524	6.9
151.11093	3.3
153.05492	6.0
153.09114	6.2
155.08513	3.3
157.06538	2.3
157.10144	9.1
159.08055	5.5
159.11707	8.8
161.09613	4.2
161.13272	2.4
163.11140	21.9
165.09029	2.0
167.03400	8.3
169.08568	2.1
169.10124	3.6
171.07947	2.7
171.11679	8.3
173.09590	31.1
173.13167	4.0
175.07492	10.8
175.11160	7.0
176.98926	5.3
177.09073	4.4
181.04955	5.3
183.11717	4.1
184.21935	2.0
185.09628	6.3
185.13229	7.7
187.11157	3.1
189.09036	2.9
191.10661	5.0
191.14272	6.2
193.04965	3.2
193.08604	11.8
195.10210	4.6
197.13345	3.0
199.14790	4.8
203.07033	5.5
205.08731	3.3
209.13364	5.4
211.11147	4.7
211.14771	4.7
213.12746	9.3
214.80701	2.5
215.14282	4.1
219.10141	4.0
219.13731	11.9
226.13602	2.1
227.14276	6.3
227.17873	3.4
229.12207	10.9
229.15761	2.9
231.06416	4.0
237.11221	2.6
237.14732	4.3
241.19475	14.5
247.13272	13.2
251.17924	3.0
259.20508	2.8
263.09195	4.3
265.14362	3.2
269.18927	34.0
271.20544	22.5
285.80508	2.1
287.19995	6.3
289.21609	8.0
297.18472	16.7
305.21222	4.1
315.15848	12.1
315.19540	44.5
315.22836	2.5
316.19644	2.2
333.20816	28.8
333.24619	4.6
333.31921	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	333.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01863	0.7
55.05492	1.9
56.93678	0.5
57.03415	2.6
57.07068	2.6
59.04986	0.8
67.05508	3.3
69.03419	1.5
69.07056	1.5
69.96989	3.4
70.34704	0.4
71.04983	7.9
79.05476	3.6
81.07041	2.9
83.01328	11.5
83.04969	0.8
83.08621	0.6
85.02882	1.9
85.06551	1.3
89.05994	0.5
91.05467	6.2
93.07034	15.7
95.04961	2.1
95.08590	5.1
98.98409	0.7
99.04395	0.8
102.26793	0.5
103.05464	1.3
105.07016	19.5
106.07806	0.8
107.08583	9.5
109.06512	1.6
109.10152	2.6
111.04439	0.7
113.05991	28.3
117.06999	3.5
119.04904	0.5
119.08565	6.4
121.06521	2.7
121.10131	100.0
122.10493	0.9
123.08059	4.9
123.11686	0.6
125.05958	2.2
127.03928	2.6
128.06232	0.5
129.06998	1.0
130.07762	3.5
131.08533	2.3
133.07578	0.9
133.10117	13.6
135.08051	0.8
135.11673	15.4
137.05923	1.5
137.09544	0.6
137.13232	3.6
141.09171	0.7
142.07739	1.0
143.08517	2.6
145.10106	14.9
147.11699	1.7
151.07530	10.3
153.09087	0.6
155.08577	0.8
157.10220	0.7
158.07333	0.6
159.08029	1.6
159.11623	1.1
161.09633	1.4
163.11154	15.4
163.93872	0.7
165.12761	1.6
168.09315	1.3
169.08618	4.9
171.08183	0.5
173.09593	58.0
173.13298	1.5
174.09990	1.6
175.11177	1.0
175.14838	1.8
181.08704	0.6
183.11676	1.9
185.09668	1.0
185.13223	1.5
187.07507	3.9
189.09145	0.6
191.10655	7.3
193.04968	1.1
195.10176	3.5
196.08905	0.8
197.08076	5.0
201.12724	2.0
203.14291	9.7
209.13185	0.8
211.11156	5.6
212.11780	0.6
214.09930	1.1
219.13791	0.7
221.15347	13.6
227.14256	5.7
229.12209	20.2
230.12585	0.8
245.15320	7.4
247.13193	5.1
250.09921	0.6
255.13953	0.6
263.14224	1.7
263.16620	1.1
269.19089	1.1
287.20053	1.2
291.13727	1.0
297.18472	3.9
303.13693	0.6
305.18915	1.0
315.19498	14.5
318.16028	1.2
333.18457	4.4
333.20831	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	Hyperjovinol B
Peak:m/z	Relative Intensity
55.01870	1.0
55.05497	0.9
57.07065	0.7
59.18858	0.4
67.05502	0.8
68.99793	1.5
69.00171	0.4
69.07061	2.8
79.05486	1.2
81.07043	1.8
82.08455	0.4
83.34087	0.4
91.05479	1.8
93.07048	2.3
95.04964	0.9
95.08588	2.8
98.98454	4.7
102.45457	0.5
105.07021	1.7
107.04955	1.1
107.08582	2.1
109.06526	0.8
109.10177	0.8
117.06989	2.6
119.08591	1.1
121.06497	11.7
121.10136	1.4
123.04424	0.7
123.08085	0.9
133.10126	1.0
135.04359	0.9
135.08023	5.5
135.11641	0.8
137.05948	0.8
139.03860	1.3
145.06482	3.4
145.10147	0.7
148.05159	1.4
148.18405	0.5
149.05980	6.8
157.10109	0.7
163.07524	24.1
163.11134	0.8
164.07932	0.7
165.30226	0.5
173.05946	4.6
173.09593	1.1
176.98930	0.6
181.04893	0.6
191.07007	65.8
192.07327	1.4
203.07051	0.8
205.08592	0.7
209.08061	100.0
210.08380	3.5
223.09618	2.9
223.95302	0.5
269.19186	0.6
312.53903	0.5
315.19507	1.7
317.52475	0.5
333.20459	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	333.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
69.03420	0.4
69.82701	1.0
69.83130	1.2
70.06547	0.3
72.82699	0.3
75.27537	0.3
85.02863	0.8
97.02877	0.4
98.98458	2.8
107.04938	1.2
108.05307	0.4
112.55518	0.3
117.78523	0.3
121.10138	0.5
130.06535	0.7
135.04405	1.1
135.11639	0.4
136.04733	0.7
137.05951	1.1
151.07532	0.3
154.05804	0.5
155.06981	0.4
167.07045	0.6
171.09950	1.9
176.98956	0.6
197.07071	0.7
243.07539	0.4
263.13318	0.3
297.08539	0.3
315.09964	1.5
315.12909	0.4
333.15155	100.0
334.15536	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	333.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10722	2.0
55.05495	10.0
57.03425	3.9
57.07064	6.9
61.02913	3.2
67.05495	8.1
69.03416	9.5
69.07057	7.5
69.64339	8.2
69.64774	12.1
71.04980	9.9
74.90517	2.1
79.05466	15.5
81.03409	5.9
81.07037	16.8
83.04966	5.5
84.68256	2.2
85.02902	23.0
86.09689	6.5
91.05473	23.9
93.07036	76.7
95.04958	5.8
95.08590	25.0
97.02874	9.5
97.06512	6.0
98.21442	2.9
98.98458	39.0
99.04431	2.4
100.98852	3.8
103.18343	2.6
105.07029	10.4
107.04963	2.6
107.08580	88.3
108.08908	3.4
109.02892	4.4
109.06488	4.4
109.10144	9.4
111.04440	3.7
114.10273	6.7
119.08599	7.3
121.06500	3.0
121.10145	5.1
122.03613	3.5
123.04430	4.6
127.03923	6.3
130.06584	3.6
135.11681	72.0
136.12013	3.4
137.05974	26.1
145.04938	4.4
153.12744	26.4
158.06044	2.8
163.07422	2.9
167.07045	31.4
171.13803	10.3
174.13133	2.4
175.08688	3.4
176.98820	4.3
183.07996	2.4
187.36520	2.3
191.07019	2.5
203.06897	3.9
216.04207	7.2
227.06947	3.0
231.06628	4.5
235.06073	17.9
243.02739	2.6
244.03664	11.6
254.99428	2.6
257.04449	8.2
258.04926	2.6
259.06006	8.3
271.02246	2.6
271.05939	3.3
272.03207	12.7
287.05490	13.6
288.09958	6.1
297.07309	3.0
300.02625	48.8
301.03070	6.7
315.01282	5.9
315.04959	100.0
315.13049	6.7
315.19379	3.3
316.05356	9.2
333.06119	30.3
333.09735	4.2
333.13525	6.7
333.20908	3.0
334.06265	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	333.0964
Annotation	1-Hydroxy-2,3,4,5-tetramethoxy-xanthone
Peak:m/z	Relative Intensity
55.01854	0.3
55.05480	1.1
56.17159	0.2
57.07034	0.8
58.62914	0.2
59.04972	0.3
62.67974	0.2
66.05836	0.2
66.68622	0.2
67.05505	1.2
68.99767	0.8
69.07030	1.1
70.06576	0.4
71.04943	0.7
71.77774	0.4
73.06525	0.6
79.05448	0.8
81.03401	0.4
81.07047	1.6
83.08590	0.5
85.06507	0.4
91.05469	1.5
93.07028	2.4
95.04941	0.8
95.08592	1.4
97.06534	0.5
98.97843	0.4
98.98455	5.9
100.98846	0.3
105.07014	1.8
107.01265	0.8
107.04940	0.4
107.08579	2.0
109.02845	0.3
109.06483	0.7
109.10114	0.8
111.04349	0.3
113.05938	0.3
116.99461	0.3
119.04918	0.6
119.08550	1.2
121.02859	1.5
121.03580	0.2
121.06479	0.5
121.10117	5.0
123.04386	0.9
123.08022	0.9
123.11682	0.4
129.06952	0.3
133.06487	0.4
133.10072	1.0
135.07982	0.7
135.11662	1.5
137.05956	1.6
139.03850	0.4
143.08543	0.5
145.06493	0.3
145.10092	0.8
147.04362	0.4
147.08028	0.3
147.11644	0.7
149.05901	0.3
149.09506	0.4
151.03902	0.2
151.07478	0.4
153.01804	2.6
157.04922	0.3
157.06468	0.3
157.10124	0.6
159.11649	0.4
161.05989	0.6
161.09599	0.4
163.03885	0.7
163.07481	0.3
165.05457	0.4
167.07028	1.5
167.08296	0.3
171.08009	0.3
173.09644	0.5
175.07550	0.5
175.11205	1.5
176.98903	1.2
177.05460	1.0
177.12732	1.2
179.06982	0.7
181.04924	0.6
181.06445	0.3
181.08601	0.4
181.10098	0.3
185.08041	0.3
185.09581	0.6
187.03879	3.8
188.04549	0.4
189.05423	0.5
191.03400	0.6
193.04985	1.8
193.11987	0.3
195.06494	0.7
197.07878	0.3
203.03319	0.3
203.07027	1.3
203.10658	1.1
205.04933	2.6
211.05833	0.3
215.03377	7.0
217.04919	0.5
217.08511	0.2
217.12125	0.5
219.02780	0.8
221.09810	0.2
221.11766	0.9
227.07048	0.6
231.02834	0.8
231.06491	0.8
232.03595	0.7
233.04517	2.0
234.04137	0.3
237.03999	0.5
238.18082	0.3
240.32481	0.3
243.02846	3.5
245.07990	0.6
245.11746	0.8
249.07526	0.4
255.06468	1.7
256.07187	0.5
260.03113	3.3
261.03906	100.0
262.04092	5.1
263.12827	0.5
269.15265	0.5
271.20279	0.3
273.07541	1.0
283.06015	0.4
286.06339	0.3
287.16342	0.9
288.09818	0.7
297.11182	0.7
297.14767	0.7
297.18237	0.4
315.08661	2.1
315.12308	0.5
315.15866	2.0
315.19516	0.9
333.09625	68.4
333.16818	3.1
333.24600	0.7
334.10074	3.0
344.16425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01877	0.7
56.96552	1.2
57.03428	1.6
59.04991	0.4
61.02914	2.6
65.03914	1.1
66.23476	0.3
67.05494	2.9
69.03058	0.5
69.03419	7.2
70.42697	1.1
70.43085	0.7
71.04980	0.6
73.02907	2.2
79.05468	1.2
80.04998	0.4
81.03387	2.0
81.05797	0.3
81.07038	0.8
83.01340	0.4
85.02897	9.1
86.03246	0.4
87.04440	2.2
91.03949	0.5
93.05769	0.6
96.08118	1.0
97.02883	3.6
98.97543	0.8
99.04440	0.8
101.02363	0.3
106.06532	3.9
108.08102	100.0
109.02872	1.1
109.08467	1.5
123.06806	3.8
124.07579	14.9
127.03923	2.3
133.03432	0.5
134.04968	0.5
134.06001	9.7
136.07559	14.6
137.08337	0.6
140.05035	0.4
143.00133	0.5
143.81209	0.3
145.04904	0.8
150.05516	0.5
152.07047	67.0
153.07408	1.5
154.08617	1.8
161.01173	0.6
161.05569	1.1
170.06032	1.5
170.08095	7.0
170.99652	0.6
171.06168	0.4
189.00729	0.7
203.02187	0.3
226.55632	0.3
231.01720	0.4
231.07114	0.6
242.07956	0.6
245.05054	0.4
249.02745	0.4
251.08656	0.8
291.03763	0.9
309.04987	1.0
314.12289	37.3
315.12726	1.2
321.01746	0.4
321.10248	1.5
322.10333	0.4
332.13364	71.2
333.05704	1.4
333.11270	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	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.74343	0.5
53.03928	0.8
56.96556	1.1
57.03417	1.5
61.02907	2.3
65.03936	0.8
66.81076	0.5
67.05481	2.9
69.03420	7.0
69.52453	0.5
70.28630	2.1
71.04980	0.9
73.02899	2.2
79.05491	0.8
81.03394	1.7
82.54399	0.5
85.02882	7.2
87.04445	1.4
93.05784	0.9
96.08048	0.6
97.02865	3.1
98.20818	0.5
98.97562	1.7
106.06533	5.0
108.08099	100.0
109.02818	1.1
109.08439	1.7
112.15840	0.5
123.06790	4.4
124.07571	15.3
127.03895	2.4
127.36875	0.6
133.24112	0.6
133.94279	0.5
134.05986	8.6
136.07545	12.7
152.07040	65.0
153.07388	1.1
154.08600	2.0
155.51357	0.6
161.05656	0.6
170.08063	7.5
206.03412	0.6
225.40848	0.6
229.06541	0.8
242.07451	1.0
270.97266	0.6
291.03958	1.0
309.04764	0.8
314.12286	37.7
315.12570	1.3
332.13339	73.8
333.13708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	49.3
70.04230	2.0
70.04638	3.5
74.97600	1.2
77.40951	1.1
81.39366	1.0
84.96022	2.4
95.57690	1.0
98.20737	1.1
98.96966	2.1
98.97574	30.2
104.16946	1.1
112.99126	2.8
116.98606	21.2
123.01123	1.2
124.99104	15.2
131.00130	2.7
134.99654	7.8
140.98558	1.0
141.02200	3.8
143.00143	49.3
144.00455	1.3
151.00647	1.9
152.98564	7.2
159.03291	3.9
161.01201	32.2
167.00130	2.7
169.01740	6.7
170.99638	29.4
177.00674	1.2
179.02245	3.8
184.02933	1.2
185.01216	20.1
186.99091	4.1
187.02727	6.9
189.00690	37.8
203.02245	19.0
205.00200	3.8
207.01747	4.9
213.00696	14.3
221.03310	3.9
231.01738	22.3
245.03256	2.5
247.01172	1.9
249.02808	27.1
263.04398	1.7
267.03848	16.0
273.02786	6.5
285.04904	8.4
291.03821	64.4
309.04892	100.0
310.05200	2.0
327.05887	7.0
332.06461	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	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.05489	1.2
57.03422	0.9
61.02916	1.2
66.63002	0.7
67.05487	1.8
69.03436	3.7
69.07053	1.6
69.43066	0.7
69.78985	1.3
69.79395	4.5
70.06586	1.5
71.05003	0.9
72.08147	1.1
79.05478	2.9
81.03399	1.3
81.07050	4.5
83.04993	1.3
84.04485	1.7
85.02892	14.9
86.09682	2.1
88.62222	0.8
90.37844	0.7
91.05469	1.5
93.07027	2.0
94.06602	0.9
95.04955	5.1
95.08596	1.6
96.08150	1.0
97.02857	3.8
97.06511	0.9
98.98452	24.7
99.04474	1.3
99.08108	1.4
99.51083	0.8
100.98870	1.4
105.07021	1.0
107.04939	100.0
107.08606	1.3
108.05300	1.1
108.08112	3.9
109.02876	1.4
111.09216	0.8
116.99500	1.2
121.06581	0.9
123.04428	2.1
124.07588	2.7
124.11227	0.7
127.03913	2.8
130.06523	1.1
131.04843	0.7
134.05991	1.0
135.04398	26.3
135.08020	1.5
137.05956	5.5
145.04935	2.0
147.04379	0.9
151.03906	1.6
152.04199	0.8
152.07079	2.2
152.10686	11.3
153.05447	68.8
154.05754	1.3
157.07635	1.5
167.07027	4.0
169.04897	4.8
170.05336	5.2
170.11729	23.1
173.12791	1.4
176.15611	0.7
176.98938	2.8
181.04868	1.1
194.05295	1.7
212.06308	1.4
231.06519	1.0
236.06418	1.7
241.06049	0.9
248.06313	1.2
269.08115	1.0
286.11469	0.9
304.16653	0.8
314.11905	1.6
315.09619	1.5
332.13611	5.5
333.10666	2.3
333.15134	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.05502	11.5
57.03430	7.5
57.07066	97.4
58.07399	1.6
67.05496	21.4
69.07055	17.2
69.89617	4.6
69.90032	3.5
70.06581	9.4
71.06904	2.7
71.08619	66.7
72.08934	1.8
75.04456	3.6
79.05484	2.4
81.06611	2.2
81.07051	32.1
81.07531	2.0
83.08605	24.6
85.09667	2.3
85.10170	33.3
88.07614	12.3
89.07944	2.8
91.05448	2.2
93.07014	3.6
95.08001	2.7
95.08594	47.1
97.10144	12.5
98.98450	95.0
99.08071	1.4
99.11730	3.4
100.98882	2.2
102.09145	2.4
103.07556	2.0
103.09440	1.6
105.06995	3.2
106.08659	7.0
107.08565	1.7
109.06421	1.8
109.10146	23.6
111.11696	3.3
113.13221	1.7
116.99474	4.7
119.08578	1.6
121.10133	3.1
123.11689	11.6
125.13221	3.4
131.08556	2.0
133.10127	1.7
135.11684	2.8
137.05978	1.5
137.13222	6.1
139.14851	1.7
145.10037	1.7
151.14804	3.0
165.16374	1.5
174.99217	3.2
176.98895	10.1
179.03352	3.8
179.07001	2.7
191.07024	4.1
193.79404	1.3
207.06491	27.1
207.08301	2.4
209.08072	10.3
221.22604	1.9
239.23654	28.5
243.13739	3.5
252.99796	1.6
257.24683	6.9
313.17856	3.1
313.21451	1.9
313.27319	73.7
313.32495	6.3
314.27783	1.5
331.18985	8.7
331.22696	3.2
331.33939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.7
57.03424	7.2
57.07068	96.1
60.87449	1.6
67.05496	23.8
69.07064	19.7
70.06577	4.8
71.04957	3.4
71.08620	66.7
72.49676	1.8
75.04462	2.4
79.05470	3.2
81.07045	35.1
83.01303	2.0
83.04955	2.9
83.08611	24.5
85.06514	3.8
85.10172	37.7
88.07600	6.3
89.06026	1.9
89.07951	2.1
91.05436	2.1
93.07024	5.4
95.08593	56.3
97.10150	13.5
98.98455	100.0
99.11658	1.8
102.09182	1.5
103.07581	2.4
105.07025	3.1
106.08624	3.1
107.08537	3.0
109.10139	26.1
111.04427	1.8
111.11711	5.2
113.05973	3.9
119.08585	2.1
121.10117	3.9
123.08057	2.8
123.11695	14.3
125.13286	3.1
128.97867	1.4
129.22765	1.6
133.10060	2.1
135.11678	3.5
137.05946	1.7
137.13235	5.6
140.01166	2.0
145.10147	3.0
149.09680	1.5
151.14844	1.7
173.09544	3.2
174.89470	1.5
174.99153	5.3
175.07436	2.1
176.98920	12.4
185.09518	1.7
187.11095	1.6
189.09126	2.9
191.07071	8.2
191.10605	2.2
199.11153	1.7
201.09122	4.8
209.08119	11.0
219.13847	2.1
221.22659	2.3
239.23668	33.0
243.13828	6.8
257.24814	9.8
261.14731	2.1
273.14807	5.1
275.13159	1.6
277.11972	1.8
287.30966	1.8
313.17856	6.4
313.21323	3.1
313.27325	80.6
313.32782	3.3
314.27634	5.7
331.15497	2.8
331.18982	18.4
331.22510	3.4
331.33966	58.2
331.37915	3.0
332.19330	2.6
332.32971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1899
Annotation	Carnosol
Peak:m/z	Relative Intensity
51.02359	0.2
53.03931	0.3
53.20616	0.2
55.01852	0.7
55.05503	2.1
57.03426	2.9
57.07058	0.5
58.52867	0.2
65.03896	0.3
67.05183	0.3
67.05496	3.0
68.45423	0.3
69.03407	0.8
69.07063	1.8
69.59463	2.2
77.03935	0.3
79.05481	2.4
81.03430	0.3
81.07044	4.1
83.01320	4.0
83.08588	0.7
91.05458	3.5
93.07031	12.6
95.04937	0.8
95.08588	1.9
98.98454	8.2
99.04436	0.4
103.05449	0.3
105.07005	2.2
107.04939	1.4
107.08583	9.2
109.06508	0.8
109.10141	5.0
112.52125	0.3
115.05447	0.6
116.06150	0.2
117.06997	1.6
118.87408	0.2
119.04900	0.3
119.06048	0.3
119.08553	0.9
121.06491	3.9
121.10120	0.8
123.08057	0.4
123.11693	2.8
125.50714	0.2
130.07712	0.2
131.08565	1.2
133.06464	0.6
133.10121	0.4
133.30991	0.2
135.04408	0.7
135.08035	5.8
135.11674	8.6
137.05965	0.8
143.08536	0.3
144.05647	0.3
145.06453	1.7
145.10100	1.3
149.05951	3.8
149.09586	1.9
151.07510	1.0
153.05453	1.4
155.08521	0.8
158.07314	0.5
159.08052	2.4
159.11722	0.3
161.05957	0.5
162.06749	0.6
163.07521	8.2
167.07004	1.0
169.10060	0.3
171.08087	0.3
173.05936	0.7
173.09598	3.7
175.07471	0.5
176.98854	0.9
177.05449	2.4
177.09102	4.4
177.12726	0.4
178.06259	1.9
178.09590	0.4
179.07036	1.8
181.04938	0.6
183.08081	0.4
183.11658	0.3
185.09624	0.3
186.06758	0.4
187.07535	1.9
187.11169	0.4
189.09100	0.7
190.06136	0.5
191.07004	59.9
192.07343	2.3
193.08611	0.4
197.08054	5.8
199.07594	0.4
201.09077	7.3
202.06146	0.5
202.09401	0.2
203.06932	0.3
203.10599	0.4
204.07747	0.5
205.08575	22.2
206.08992	1.0
207.06485	1.1
209.08055	78.1
210.08406	2.9
211.11185	0.4
214.06187	0.4
214.93663	0.3
215.06967	1.8
215.10602	0.5
216.07869	0.3
217.08607	0.6
219.06686	0.4
219.10126	4.8
223.09615	36.0
224.10046	1.4
228.07813	0.5
229.08560	29.0
229.12283	0.8
230.08951	1.1
231.10190	0.6
232.07217	0.3
233.08060	1.2
233.11655	0.3
234.08736	0.5
235.09633	0.9
237.11234	1.0
239.10646	0.4
242.09358	0.9
243.10202	1.0
245.11734	0.3
247.09622	34.0
248.09964	1.5
249.11203	1.2
251.12730	1.3
257.11679	5.6
258.12125	0.4
261.11221	2.0
263.12827	0.3
270.00183	0.3
271.13260	0.7
275.12753	22.4
275.16132	1.2
276.13138	1.5
289.14346	1.0
313.17929	3.7
331.18979	100.0
332.19354	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01845	0.5
55.05506	2.4
57.03424	2.8
57.07067	3.4
58.07401	0.4
60.77594	0.2
65.03915	0.4
65.20735	0.3
67.05496	2.4
69.03422	0.6
69.07056	1.9
70.06576	2.2
71.04973	0.4
71.06892	0.5
71.08604	1.1
79.05482	2.6
81.07047	4.9
83.01325	3.9
83.04949	0.6
83.08616	1.6
85.06518	0.2
85.10155	0.8
88.07615	2.3
89.07925	0.6
91.05449	3.3
93.07030	11.7
95.04952	0.8
95.08590	2.9
97.06512	0.3
97.10141	0.7
98.98454	28.3
99.04438	0.5
100.98859	0.6
102.09142	0.6
103.05422	0.3
105.07016	2.0
106.08642	1.4
106.89119	0.3
107.04927	0.9
107.08575	8.0
109.06485	1.1
109.10141	4.6
111.04408	0.4
115.05429	0.4
116.99490	0.8
117.06991	1.1
119.04888	0.2
119.08549	1.4
121.06499	3.8
121.10118	1.1
123.08061	0.4
123.11710	1.9
128.06216	0.3
129.06990	0.5
131.08537	1.7
131.09415	0.3
133.06474	0.7
133.10092	0.7
135.04417	0.6
135.08043	4.7
135.11673	8.6
136.06277	0.2
136.11966	0.3
137.05949	0.5
140.01057	0.7
141.06915	0.3
143.08560	0.4
144.05653	0.5
145.06480	1.4
145.10092	1.5
147.11624	0.4
148.05127	0.3
149.05951	3.2
149.09612	1.9
151.07536	1.2
153.05420	0.6
153.06885	0.3
155.08533	0.5
157.10170	0.4
158.07269	0.7
159.08012	2.3
159.11736	0.6
161.05984	0.4
161.09657	0.4
161.88506	0.2
162.06711	0.7
163.06174	0.5
163.07520	6.6
163.11134	0.3
167.06987	0.7
171.07973	0.3
173.05981	0.9
173.09605	3.9
174.99213	1.1
175.07510	0.6
176.98947	2.5
177.05473	1.5
177.09084	4.2
177.12677	0.6
178.06218	1.7
179.07039	1.4
181.04979	0.5
181.08591	0.3
183.07953	0.5
183.11681	0.5
186.06711	0.5
187.07539	2.1
187.11162	0.4
189.09100	0.8
190.06245	0.5
191.07007	44.2
191.10651	1.1
192.07338	0.7
193.08592	0.5
197.08063	5.6
197.09682	0.2
201.09067	8.6
202.06145	0.5
204.07736	0.5
204.23254	0.3
205.08578	20.6
206.08955	0.6
207.10114	0.3
209.08058	53.8
210.08432	1.4
211.11275	0.3
213.08998	0.4
214.06183	0.7
215.06982	1.9
215.10631	0.8
216.07707	0.7
217.08548	0.8
219.10127	5.4
223.09619	34.7
224.09952	1.1
228.07780	0.4
229.08565	29.6
229.12280	0.8
230.08954	1.1
231.10149	0.8
233.08017	1.3
233.11644	0.6
235.09641	1.1
237.11221	0.9
239.10562	0.5
243.10133	1.3
243.13736	0.9
245.11697	0.3
247.09627	35.5
248.09982	1.0
249.11147	1.3
251.12781	1.4
252.99707	0.4
257.11682	6.1
261.11188	1.5
263.12939	0.4
267.17474	0.4
271.13290	0.6
273.14795	0.7
275.12750	24.1
275.16110	1.3
276.13101	0.9
289.14331	0.9
312.32452	0.3
313.14417	0.6
313.17944	4.8
313.21417	0.5
313.27280	1.4
313.32941	1.5
330.33633	2.2
331.18982	100.0
331.33945	20.1
332.19284	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	331.19
Annotation	Citlalitrione
Peak:m/z	Relative Intensity
55.05486	3.7
57.03430	2.7
57.07069	39.0
59.06087	1.0
67.05483	3.4
69.03408	1.6
69.07063	6.5
70.06573	1.9
70.07475	3.8
70.07889	2.0
79.05478	3.3
81.07054	8.0
83.04959	3.3
85.06522	5.2
86.51982	0.9
88.07616	1.7
91.05466	6.0
93.07027	11.1
95.04947	1.6
95.08606	5.2
97.06506	1.0
98.20845	1.5
98.98457	39.8
105.07037	5.9
107.04937	3.7
107.08583	10.1
109.06507	5.0
109.10136	1.1
109.89922	1.0
111.04450	1.1
116.99480	1.4
117.06966	1.8
119.04934	4.6
119.08559	6.1
121.06497	13.3
121.10136	4.5
123.04419	1.8
123.08063	2.6
126.21276	1.0
131.08589	2.4
133.06444	1.4
133.10106	3.5
135.04468	1.3
135.08046	4.0
135.11665	9.9
137.05983	3.2
142.07738	1.2
143.08594	1.3
145.06485	3.7
145.10098	6.0
147.08008	5.5
149.05971	2.9
155.07025	1.4
155.08516	1.6
157.10103	2.2
159.08028	4.7
159.11652	5.3
161.06010	1.7
161.09608	4.5
161.13261	3.0
163.07477	4.9
163.11165	16.0
169.10118	2.9
171.08047	2.4
171.11670	1.9
172.08813	1.3
173.05934	2.0
173.09578	2.6
173.13199	1.3
174.99290	1.7
175.07571	2.7
175.11166	1.9
176.98926	4.8
177.09096	1.1
177.12810	1.4
181.10069	1.3
183.11696	2.6
185.09654	2.4
187.07530	2.3
187.11177	7.5
189.09096	8.1
189.10588	1.4
189.12701	1.6
190.32697	1.3
191.06975	6.1
195.08075	1.7
195.11650	1.2
197.09599	1.3
199.11189	1.6
201.09128	1.7
201.12744	4.3
202.56963	1.1
203.10692	4.2
205.08711	1.2
205.12227	16.8
209.07964	1.5
209.09727	1.7
210.10338	1.6
211.11102	5.6
213.09109	4.3
213.12782	2.7
215.10651	7.2
216.11400	1.7
217.08505	1.8
221.11719	1.4
223.09631	3.6
224.11952	1.2
225.12773	1.7
227.10609	3.6
227.14354	1.6
228.11389	3.3
229.12201	16.5
229.15823	2.4
231.10149	6.5
233.11722	4.6
237.12746	1.2
238.13594	2.4
241.12282	2.8
242.13094	1.8
243.10207	1.7
243.17488	3.2
247.13283	29.3
248.13741	1.5
252.99557	1.2
253.15938	4.7
255.13823	3.1
256.14426	2.5
257.11630	3.4
259.13245	1.2
262.12051	1.2
265.12314	1.0
271.16888	29.1
273.14865	3.9
275.12756	11.7
289.17963	89.5
290.18286	4.7
295.16895	9.0
313.17929	40.9
313.21619	2.0
313.32834	1.4
314.18289	3.0
331.19028	100.0
331.33966	16.3
332.19272	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	331.1899
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.03935	0.3
55.01845	0.5
55.05506	2.4
57.03424	2.8
57.07067	3.4
58.07401	0.4
60.77594	0.2
65.03915	0.4
65.20735	0.3
67.05496	2.4
69.03422	0.6
69.07056	1.9
70.06576	2.2
71.04973	0.4
71.06892	0.5
71.08604	1.1
79.05482	2.6
81.07047	4.9
83.01325	3.9
83.04949	0.6
83.08616	1.6
85.06518	0.2
85.10155	0.8
88.07615	2.3
89.07925	0.6
91.05449	3.3
93.07030	11.7
95.04952	0.8
95.08590	2.9
97.06512	0.3
97.10141	0.7
98.98454	28.3
99.04438	0.5
100.98859	0.6
102.09142	0.6
103.05422	0.3
105.07016	2.0
106.08642	1.4
106.89119	0.3
107.04927	0.9
107.08575	8.0
109.06485	1.1
109.10141	4.6
111.04408	0.4
115.05429	0.4
116.99490	0.8
117.06991	1.1
119.04888	0.2
119.08549	1.4
121.06499	3.8
121.10118	1.1
123.08061	0.4
123.11710	1.9
128.06216	0.3
129.06990	0.5
131.08537	1.7
131.09415	0.3
133.06474	0.7
133.10092	0.7
135.04417	0.6
135.08043	4.7
135.11673	8.6
136.06277	0.2
136.11966	0.3
137.05949	0.5
140.01057	0.7
141.06915	0.3
143.08560	0.4
144.05653	0.5
145.06480	1.4
145.10092	1.5
147.11624	0.4
148.05127	0.3
149.05951	3.2
149.09612	1.9
151.07536	1.2
153.05420	0.6
153.06885	0.3
155.08533	0.5
157.10170	0.4
158.07269	0.7
159.08012	2.3
159.11736	0.6
161.05984	0.4
161.09657	0.4
161.88506	0.2
162.06711	0.7
163.06174	0.5
163.07520	6.6
163.11134	0.3
167.06987	0.7
171.07973	0.3
173.05981	0.9
173.09605	3.9
174.99213	1.1
175.07510	0.6
176.98947	2.5
177.05473	1.5
177.09084	4.2
177.12677	0.6
178.06218	1.7
179.07039	1.4
181.04979	0.5
181.08591	0.3
183.07953	0.5
183.11681	0.5
186.06711	0.5
187.07539	2.1
187.11162	0.4
189.09100	0.8
190.06245	0.5
191.07007	44.2
191.10651	1.1
192.07338	0.7
193.08592	0.5
197.08063	5.6
197.09682	0.2
201.09067	8.6
202.06145	0.5
204.07736	0.5
204.23254	0.3
205.08578	20.6
206.08955	0.6
207.10114	0.3
209.08058	53.8
210.08432	1.4
211.11275	0.3
213.08998	0.4
214.06183	0.7
215.06982	1.9
215.10631	0.8
216.07707	0.7
217.08548	0.8
219.10127	5.4
223.09619	34.7
224.09952	1.1
228.07780	0.4
229.08565	29.6
229.12280	0.8
230.08954	1.1
231.10149	0.8
233.08017	1.3
233.11644	0.6
235.09641	1.1
237.11221	0.9
239.10562	0.5
243.10133	1.3
243.13736	0.9
245.11697	0.3
247.09627	35.5
248.09982	1.0
249.11147	1.3
251.12781	1.4
252.99707	0.4
257.11682	6.1
261.11188	1.5
263.12939	0.4
267.17474	0.4
271.13290	0.6
273.14795	0.7
275.12750	24.1
275.16110	1.3
276.13101	0.9
289.14331	0.9
312.32452	0.3
313.14417	0.6
313.17944	4.8
313.21417	0.5
313.27280	1.4
313.32941	1.5
330.33633	2.2
331.18982	100.0
331.33945	20.1
332.19284	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	331.1747
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
51.56270	0.5
53.98887	0.5
54.47825	0.5
57.03422	1.1
57.07056	2.2
59.05014	0.6
61.02915	0.8
67.05485	3.0
69.03416	6.1
69.07058	1.2
69.90856	2.9
69.91268	1.1
71.04988	2.8
79.05460	0.5
81.03423	0.9
81.07048	5.9
83.04957	2.1
83.08585	0.4
85.02899	6.0
85.06533	12.7
91.05465	1.3
93.06995	0.7
95.04948	1.5
95.08603	1.6
97.02863	1.6
97.06490	0.6
98.98454	10.8
99.04430	0.8
107.04935	1.1
107.08583	1.3
109.06491	2.3
109.10138	10.6
111.08049	2.0
113.05986	3.3
114.73998	0.5
119.04893	0.5
121.10130	3.0
123.04416	0.8
123.07999	0.7
123.11690	11.2
127.03898	0.9
131.04919	0.5
133.10139	1.0
135.08025	0.5
137.05946	2.1
139.11153	4.3
145.04883	0.7
151.03879	0.7
151.07509	2.5
151.11185	5.5
153.12708	0.9
161.05988	2.8
161.09604	0.8
163.07515	1.9
169.12219	100.0
170.12590	3.2
174.99243	0.7
176.98862	0.8
189.09068	1.6
207.10036	0.9
208.17264	0.5
210.06740	0.7
233.54396	0.6
255.10127	0.5
287.12689	0.9
303.08575	0.6
326.98196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.60418	0.8
50.69238	0.7
52.75622	0.8
53.03938	0.9
53.36351	0.8
55.01868	3.0
57.03420	1.5
57.07071	1.8
65.03922	0.9
67.05497	2.1
69.03423	1.7
69.07057	1.0
71.04944	0.8
71.22799	2.2
79.05492	4.2
81.03407	1.6
81.07057	3.3
83.04957	1.5
84.08152	0.9
85.02898	2.4
85.06547	1.0
86.09718	1.3
91.05468	19.2
93.07026	2.6
94.04195	1.6
95.04960	5.8
95.08640	1.5
98.98454	100.0
99.04443	1.2
100.98869	3.0
103.05447	5.3
105.03424	1.3
105.07019	6.1
107.04942	15.1
107.08595	1.7
109.02866	2.1
109.06497	3.5
109.10168	2.2
111.04457	1.0
111.08067	1.5
115.05450	2.5
116.99508	3.6
117.07012	1.8
117.30085	0.7
119.04916	11.6
121.06473	6.6
121.10185	1.1
122.03619	4.7
123.04411	8.8
123.08004	1.0
123.11687	1.6
127.03920	1.3
128.06229	3.2
129.06989	11.5
131.04893	4.9
131.08614	1.5
133.02824	2.1
133.06499	2.9
133.10127	1.1
135.04407	2.4
135.08022	6.7
136.05177	2.3
137.05959	52.0
139.03925	1.7
143.04817	0.9
145.06427	1.3
146.03583	1.1
146.07242	1.3
147.04395	3.4
147.08035	1.0
148.05173	2.0
149.05956	11.3
150.06750	2.7
151.03909	7.5
151.07521	62.2
151.11180	2.6
152.06149	1.8
153.06979	1.4
157.06490	6.2
159.08052	1.2
161.05969	33.3
161.09576	7.9
163.07524	23.2
165.06978	7.6
165.09138	2.9
166.07784	1.9
167.08521	9.9
169.04976	2.0
169.06465	1.0
169.08504	0.9
169.12231	8.4
174.06754	4.0
174.99203	4.7
175.07594	2.7
176.98930	9.6
177.07019	1.0
177.09119	1.6
178.07774	3.6
179.03380	5.8
179.07062	1.3
179.08612	1.2
181.05058	1.0
181.06483	3.8
181.08621	2.1
181.10092	1.4
182.07253	2.7
182.10760	0.9
183.08139	1.2
187.07532	1.8
189.09088	30.6
191.08504	1.3
193.06471	4.0
193.10146	3.8
194.07336	2.1
195.08032	12.1
196.08769	1.4
197.06004	4.0
198.06773	1.1
202.07755	1.0
206.07178	1.2
207.08133	2.0
207.10114	18.8
209.06027	1.9
209.09679	2.7
210.06767	5.8
211.07491	3.4
212.08308	2.3
219.07961	1.0
221.06110	4.6
221.09612	7.6
221.11632	1.2
221.30621	0.9
223.07578	6.0
224.08270	3.2
225.05460	1.3
225.08929	6.4
227.07043	1.6
227.10619	16.2
237.09058	1.7
238.06215	3.5
238.10014	0.9
239.07013	2.1
239.10657	1.5
240.07750	1.7
241.08525	2.3
241.12291	1.2
249.09114	3.7
252.07954	1.8
252.99802	2.7
253.08545	7.2
253.12225	8.4
254.08809	1.0
254.99620	1.4
255.06277	1.3
255.07158	1.0
255.10123	17.1
267.10141	2.3
269.08115	2.3
269.11636	1.2
272.07144	0.8
272.10300	2.4
277.78598	0.8
281.11728	3.9
284.10519	1.1
285.11154	12.9
287.12750	32.3
288.10132	0.9
298.12027	1.2
301.14230	1.1
303.08670	5.5
313.14325	11.1
331.07983	1.9
331.11819	8.1
331.15497	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	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03932	1.0
55.01870	1.6
55.05503	1.5
58.05882	0.9
61.02908	1.2
62.97653	0.9
67.05494	2.4
69.03415	2.8
70.18333	1.0
71.04982	1.1
71.54880	2.3
79.05483	3.6
81.03426	1.7
81.07043	4.4
83.04950	1.0
85.02910	2.7
85.06519	1.3
86.09686	1.3
87.07762	0.9
91.05467	18.6
93.07037	1.8
94.04145	1.3
95.04961	5.2
95.08604	1.3
97.02911	1.2
98.98456	100.0
99.04533	1.0
100.98867	2.3
101.77576	0.9
103.05472	4.4
105.07031	5.5
107.04945	12.3
107.08612	1.3
108.08096	1.1
109.06508	3.8
109.10139	2.4
111.04426	2.1
113.05973	1.1
115.05427	2.9
116.99498	2.9
119.04935	12.7
119.08560	1.6
121.05731	1.0
121.06462	5.6
122.03625	4.1
123.04414	6.7
123.08035	1.1
123.11680	2.0
127.03919	1.2
128.06212	3.1
129.07007	9.5
131.04942	5.7
131.08513	1.4
133.02861	1.4
133.06473	2.4
133.10086	1.1
135.04388	2.3
135.08052	5.0
136.05159	1.2
137.05960	49.7
139.03906	1.7
143.04865	1.2
145.06473	2.1
146.03621	1.6
146.07262	2.7
147.04420	3.1
147.08060	1.5
148.05183	2.7
149.05968	11.4
151.03899	5.1
151.07526	58.6
151.11168	2.8
152.06212	1.6
157.06496	6.5
159.07988	1.3
161.05963	29.2
161.09633	8.1
163.07500	19.0
165.05608	1.6
165.06969	7.0
165.09126	2.9
167.08522	10.5
169.05066	1.1
169.06462	1.4
169.12216	6.4
173.09579	1.4
174.06749	4.8
174.99216	3.9
175.07527	2.2
176.98932	10.5
177.09084	1.7
178.07770	3.5
179.03395	4.3
179.08534	1.4
181.06468	2.0
181.08546	2.1
182.07326	2.7
187.07486	1.8
189.09077	33.1
193.06488	4.4
193.10159	3.0
194.07262	2.5
195.08040	15.9
196.08647	1.3
197.05978	3.6
203.08717	1.0
207.08311	1.9
207.10135	15.0
209.05939	2.1
209.09651	1.5
210.06738	5.8
211.07475	3.8
212.08354	3.3
213.05385	1.3
213.09064	1.1
219.07928	1.2
220.08832	1.1
221.06013	7.5
221.09547	6.6
223.07553	7.3
224.08315	2.8
225.09016	6.7
227.10628	16.4
228.07957	1.3
234.06837	1.1
237.09033	1.3
238.06189	3.5
238.09787	1.2
239.06873	1.5
240.07768	2.4
249.09157	3.3
252.07965	1.2
252.99710	2.1
253.08533	10.2
253.12207	9.7
255.06386	1.1
255.10168	17.0
266.09183	1.2
267.10129	3.1
269.08084	3.0
269.11728	2.0
272.10403	2.7
275.31024	1.1
281.11713	3.8
285.11124	11.7
287.12747	31.6
299.09171	1.3
301.14435	1.2
303.08624	2.5
313.14319	11.0
331.11816	7.3
331.15436	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	331.1284
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
52.65023	0.3
55.01871	2.1
65.03915	0.5
67.05477	0.6
69.03417	0.5
69.07049	0.9
71.04965	0.8
71.81290	0.4
80.04992	0.5
81.03397	0.5
81.07046	1.5
82.06554	0.6
85.06530	1.0
91.05472	1.9
94.06545	1.8
95.04940	1.2
95.08599	0.7
98.98453	22.0
102.01517	0.4
106.06529	1.4
107.08582	0.5
108.04467	2.8
109.06480	0.6
109.10125	0.9
110.05975	0.7
116.99509	0.6
119.04916	0.5
120.08113	0.6
121.06494	0.5
122.06013	2.5
123.11678	0.9
124.07592	0.8
127.11153	0.8
128.06158	0.6
129.06949	1.0
131.04909	0.4
132.08093	0.6
134.05984	1.5
135.08035	0.4
136.03931	1.7
137.05962	3.6
140.07057	0.5
146.05983	0.8
148.07555	0.6
149.05959	0.7
150.05533	0.9
151.07515	4.8
151.11125	0.4
153.06967	0.4
157.06450	0.6
158.09662	1.1
161.07138	1.5
162.05481	5.1
163.06223	0.6
163.07523	1.0
164.07068	1.7
165.06985	0.8
167.07198	0.5
167.08527	0.8
168.06674	0.8
169.12154	0.9
170.08180	0.8
170.09647	1.0
172.06233	0.4
172.11256	0.8
173.10728	0.9
174.99226	1.0
176.07047	1.8
176.98900	1.9
181.06511	0.7
181.08800	0.4
183.09164	0.9
184.07640	0.7
184.11217	0.8
186.07806	1.0
187.08635	2.0
187.12331	0.8
189.06589	5.3
189.09097	1.2
194.08072	0.9
195.07997	1.2
197.05849	0.5
197.10803	0.9
198.09172	1.3
199.08614	1.0
200.09264	0.9
200.10893	0.8
201.10205	4.5
201.13866	0.5
203.08194	2.3
209.11620	0.5
211.08578	1.2
211.12276	1.1
212.10849	0.8
213.10199	1.2
214.07262	0.8
215.08156	9.7
215.11665	3.6
225.10324	0.8
226.08713	0.8
227.08400	0.7
227.10573	0.7
228.08687	0.5
229.06126	0.9
229.09712	9.7
229.13380	1.7
230.10127	0.5
231.11218	1.0
239.08186	0.6
239.11742	2.5
240.10201	1.0
241.09775	1.7
242.10385	0.5
243.07600	1.6
243.11284	5.3
247.09612	1.3
247.14444	0.8
248.58217	0.4
253.09595	1.8
253.12238	0.8
254.10515	0.5
254.99649	0.5
255.10460	1.4
257.04626	0.4
257.09219	6.5
257.12854	5.3
259.04904	0.7
259.10834	0.5
267.11285	4.1
268.09644	0.5
271.10773	5.6
275.13867	3.3
280.08322	0.4
285.12329	10.7
287.12787	1.9
295.10764	3.5
303.13400	2.9
313.11813	13.6
331.12860	100.0
332.13126	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1018
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.02008	1.7
54.89967	1.5
55.01859	6.0
57.03418	3.7
61.02898	3.2
62.26156	1.7
63.27795	1.7
63.98290	1.5
67.01845	3.0
68.99785	2.3
69.03413	2.0
69.10229	1.5
70.04655	8.5
72.77023	1.6
79.05495	2.9
81.03420	3.7
81.07059	2.5
83.04955	1.6
85.02897	22.4
86.09642	2.1
91.05450	4.4
93.07040	1.8
95.04957	4.2
97.02869	3.7
98.20813	2.7
98.98454	100.0
100.98877	2.9
103.03915	5.6
109.02879	9.4
110.07127	2.7
111.00762	1.6
113.02114	1.6
116.99503	2.6
119.04942	4.1
120.51380	1.8
121.02859	4.5
123.04424	13.5
125.05951	3.2
127.03967	3.9
135.04402	3.7
137.05914	2.5
139.03857	3.6
145.06502	2.6
147.04375	14.6
151.03877	28.7
161.05991	7.7
163.03883	20.5
165.05447	16.1
169.04965	28.3
169.08588	7.7
171.04337	2.4
174.99174	5.9
175.03877	8.6
176.98880	14.7
179.03328	1.7
179.06940	2.5
181.03349	3.5
181.04944	67.6
187.03850	8.6
189.01875	1.7
189.05415	10.7
193.04939	92.9
194.05257	4.7
201.05515	3.8
203.03456	2.0
203.06918	2.7
205.04945	12.1
207.03004	4.0
207.06480	29.1
210.90553	1.6
211.05991	78.3
212.06395	2.3
217.04977	6.7
219.06531	2.4
225.09624	1.7
229.04906	17.5
231.06485	4.0
233.04504	2.0
235.05997	81.1
236.06270	3.3
241.04962	5.0
247.05994	86.4
248.06313	4.7
249.07495	3.6
252.99939	1.8
259.03308	3.9
259.05972	42.3
265.07065	12.4
269.37756	1.5
277.07016	26.6
295.08118	21.0
313.09027	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0806
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
57.46935	0.2
62.61509	0.3
71.20689	0.6
73.08463	0.2
76.40685	0.3
85.27650	0.3
94.60425	0.2
98.98449	7.9
107.08552	0.5
119.08524	0.3
121.10111	0.3
127.65553	0.3
142.44273	0.2
151.44357	0.3
153.01814	0.4
169.41887	0.3
176.04683	0.3
176.98895	0.7
185.02647	0.3
186.02977	0.2
187.03899	0.4
198.06538	0.2
203.03357	4.8
204.04155	3.9
215.03334	0.5
231.00562	0.4
231.02850	7.8
232.03615	11.8
233.03946	0.6
257.11749	0.3
259.02310	5.1
260.03116	100.0
261.03818	11.8
261.06668	0.4
262.04193	0.2
272.86896	0.2
274.04370	0.4
275.04364	0.6
276.84085	0.2
313.17868	0.3
331.08044	77.0
332.08405	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1018
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
53.03936	1.2
55.01863	2.9
55.05498	1.7
57.03430	3.1
57.07077	1.0
58.48965	0.8
58.62855	0.7
58.99570	1.8
61.02928	2.4
67.01862	1.0
67.05502	1.7
69.03430	4.5
69.07059	1.9
70.06586	1.6
70.15967	3.5
71.04979	1.7
73.02910	1.4
76.02214	2.8
79.05490	2.5
81.03411	2.4
81.07044	9.3
83.04966	2.0
83.06089	3.2
84.04502	2.5
85.02891	16.9
86.00655	0.9
86.99041	2.4
87.02682	2.9
87.04473	0.9
91.03954	1.0
91.05460	2.0
93.07030	1.7
95.04919	1.6
95.08589	2.2
97.02889	4.5
98.20794	1.2
98.98455	100.0
99.04434	1.5
100.98899	1.6
103.03916	1.5
105.07004	1.9
107.08569	2.1
108.08098	1.0
109.02840	3.3
109.10145	0.9
116.99505	3.8
117.07020	0.8
119.04907	0.7
121.02840	1.0
121.06509	0.8
121.67838	0.8
123.04419	8.0
123.08035	1.0
124.03845	0.8
125.06018	1.0
127.03888	5.7
129.06557	6.2
129.24852	0.7
130.06651	0.7
133.06517	0.7
133.10144	1.0
135.11681	0.9
137.05983	1.6
139.46924	0.6
145.04990	1.3
147.04391	2.4
151.03893	14.9
151.07516	1.0
156.08398	5.1
157.06750	4.3
159.04379	0.8
161.05920	1.3
163.03949	4.0
165.05444	3.2
169.04942	92.9
170.05269	2.1
174.09433	3.7
174.99144	4.7
175.03888	2.9
176.90317	0.7
176.98912	10.0
177.05469	0.7
181.04959	14.2
183.95219	0.7
187.03807	1.6
189.05457	2.6
189.10265	0.8
193.04951	20.8
202.14272	1.3
203.07184	1.4
205.04922	3.1
207.06500	5.8
210.11295	0.9
211.05980	16.4
212.06349	0.9
229.04866	3.9
231.06331	1.3
233.05983	1.9
235.05983	17.4
238.06096	0.8
241.04901	2.0
247.05991	19.1
249.07568	0.9
252.99608	1.7
259.05994	9.4
265.06924	2.1
271.09677	1.1
277.07034	5.5
295.08145	3.4
313.11978	1.4
313.26920	0.8
331.09442	1.0
331.13232	12.6
331.17700	1.0
331.18390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
55.05502	10.0
57.03417	2.9
57.07056	4.3
67.05497	16.6
67.61316	1.2
69.03416	2.4
69.07059	10.7
69.81493	3.3
69.81918	4.3
70.06585	1.1
71.04977	2.2
71.08606	4.0
74.06062	3.6
79.05480	13.3
81.03386	1.2
81.06599	1.9
81.07045	20.1
83.04967	7.0
83.08615	5.7
84.04498	1.3
85.06511	3.1
87.04445	3.5
88.07627	1.5
91.05465	7.9
93.07030	19.3
95.04932	4.2
95.08599	11.4
97.06520	5.1
97.10144	1.5
98.98455	100.0
99.08079	4.1
100.98889	1.9
101.05989	0.9
105.06998	7.0
107.08563	7.7
109.06500	1.2
109.10141	5.4
111.08051	2.4
114.80754	1.1
116.99475	3.8
117.06991	2.3
119.08560	5.1
120.06544	2.4
121.06474	1.3
121.10098	5.8
121.27463	1.0
121.57744	0.9
123.08050	1.3
123.11676	1.3
125.09587	2.1
129.06946	1.5
131.08530	3.1
133.10130	7.1
135.08037	1.2
135.11699	6.4
137.05939	1.0
139.11179	10.2
140.01083	2.1
143.08533	0.9
145.10118	1.9
147.11652	3.2
149.13231	5.8
151.11110	2.5
159.11670	3.0
161.09656	1.1
161.13228	2.8
163.11121	2.6
165.12747	1.6
171.11563	1.3
174.99228	5.4
175.14806	1.3
175.99529	1.4
176.98921	9.9
177.12761	2.5
181.25108	1.2
189.11209	1.0
193.12206	1.5
195.13799	11.4
203.07068	1.1
207.06473	2.3
208.06816	3.5
211.13213	1.3
221.61649	1.0
241.19501	1.5
246.04848	1.2
249.21909	1.4
252.99675	1.6
254.00168	1.4
259.20477	1.8
273.03879	2.0
274.04105	5.8
277.21619	12.6
295.22726	8.4
330.10483	4.2
330.21130	1.9
330.29941	6.8
330.33664	4.3
331.15002	1.4
331.18747	1.8
331.22461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	4.9
61.02930	0.7
63.02377	0.6
65.03910	0.6
67.05502	0.5
68.99789	0.6
69.03417	1.5
69.07049	0.6
70.06593	3.4
70.19749	0.9
70.20168	1.3
72.08128	0.7
73.02917	0.5
79.05483	1.6
81.03395	0.7
84.04481	0.6
84.08132	1.0
84.96031	0.8
85.02893	3.2
86.09678	0.5
88.02219	0.9
89.03903	9.1
90.04268	0.4
91.03957	0.6
91.05467	1.6
95.04967	1.5
97.02892	1.3
98.97578	5.1
98.98452	100.0
99.98859	0.4
100.98897	1.4
107.04937	2.0
108.08126	0.5
109.02876	0.5
110.97532	1.0
111.04432	0.7
116.98605	5.1
116.99492	4.5
117.03362	7.5
119.04933	1.6
120.08054	0.7
122.05980	0.7
123.04427	3.0
127.03891	2.7
128.98557	2.6
131.00142	0.7
132.08066	0.6
133.02788	0.5
134.99649	1.8
135.03365	0.8
135.04395	15.0
136.04713	1.0
136.06174	3.1
137.02200	0.5
139.03879	3.7
140.07033	0.8
141.02202	0.5
143.00145	1.4
145.02820	9.8
145.04898	0.7
146.03127	0.8
146.99677	2.0
147.04388	4.2
148.04716	0.8
150.05510	2.2
150.09105	2.6
151.03897	0.9
151.09637	0.6
152.98544	0.5
158.99625	2.6
159.03287	1.7
161.01218	2.0
161.04854	1.7
162.01288	0.5
163.03885	72.0
164.04218	6.0
164.07047	0.5
168.06548	4.9
168.10188	4.4
169.01610	0.5
169.04990	0.8
170.99591	1.0
174.99211	5.9
175.02686	0.5
175.99561	1.8
176.98911	7.5
177.00685	4.0
177.04329	1.6
177.99225	1.0
179.00122	0.6
179.01997	0.5
179.05840	2.5
184.00626	0.5
185.09164	0.6
187.02766	0.5
189.00668	0.8
197.01187	2.1
198.04428	0.7
201.00702	0.9
201.04324	0.5
203.05878	1.8
215.02249	0.7
219.01686	3.9
223.04216	3.3
226.89351	0.9
227.02200	1.0
237.00694	0.7
237.02792	8.9
238.08524	0.5
242.03296	2.2
245.06935	0.7
249.02721	0.6
251.03754	0.7
252.99785	1.0
254.00227	0.6
254.99451	0.8
255.03951	1.0
260.04300	0.6
263.07935	0.4
267.04114	0.5
300.04651	0.5
305.05560	0.9
305.09033	15.3
306.09311	1.5
319.07156	0.7
321.08551	0.7
323.10098	16.3
324.10342	1.7
327.06168	0.7
329.89896	0.6
330.15533	1.2
345.02393	0.5
346.11694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05321	0.2
55.05505	2.5
57.07072	1.6
63.25052	0.3
63.30723	0.2
67.05495	3.7
69.07063	5.5
71.04976	0.4
71.08623	0.8
71.81467	0.4
79.05473	1.2
79.13824	0.3
79.24030	0.3
80.97451	0.4
81.07050	10.0
83.04974	1.7
83.08613	3.2
85.06548	0.9
91.05470	0.6
93.07035	1.8
95.04960	1.1
95.08601	10.7
96.08927	0.3
97.10147	1.5
98.98457	100.0
99.08089	1.1
100.98881	0.8
105.03384	11.1
105.07014	0.9
106.03716	0.4
107.08590	2.2
109.06496	0.4
109.10150	5.2
111.11687	1.7
116.99483	2.8
119.08590	0.5
121.02872	1.2
121.10127	1.2
123.08063	0.8
123.11689	2.8
125.06040	0.3
125.13279	0.5
127.11168	0.4
129.07030	0.3
131.08562	0.6
133.10110	0.4
135.11671	1.1
135.50444	0.3
137.13223	1.5
139.03908	0.8
140.01067	0.9
149.13271	1.2
151.14803	1.6
153.12770	0.5
159.08081	0.3
159.11713	0.5
160.28804	0.3
163.07579	0.3
163.14798	0.7
171.06543	0.3
173.09525	0.4
174.99219	9.1
175.99478	0.3
176.98914	5.0
179.18016	0.4
199.07487	1.4
208.05244	1.6
213.12743	0.6
217.05051	0.5
226.06190	0.5
231.10191	0.5
236.04590	0.6
241.08626	0.5
241.12244	2.9
245.04547	0.5
251.00026	1.0
252.99640	2.2
254.05855	0.5
257.04520	1.5
269.08112	1.1
269.11737	2.3
270.12119	0.3
271.06030	0.4
273.03955	2.1
282.05090	0.3
285.03949	0.7
293.28369	0.4
296.06601	0.4
297.07391	0.4
301.14264	0.5
311.09113	1.7
311.15988	0.3
311.29553	0.8
315.08591	3.3
329.06363	0.8
329.10126	4.5
329.13782	1.1
329.17499	0.8
329.21185	0.8
330.10931	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2682
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03929	0.5
55.01864	0.8
55.05241	0.9
55.05503	14.8
57.03429	5.9
57.07064	7.6
63.60301	0.4
67.05496	6.5
69.03416	0.8
69.07060	18.7
69.07433	1.1
70.39320	2.0
71.04969	0.6
71.08614	4.6
71.98798	0.4
75.04440	0.5
79.05480	3.4
81.06613	0.9
81.07047	9.8
83.04972	1.1
83.08608	12.8
85.02884	0.4
85.06523	1.0
85.10152	1.8
91.05490	1.1
93.07031	4.7
95.04940	0.9
95.08591	9.6
97.06519	3.0
97.10152	7.6
98.21378	0.6
98.98451	100.0
100.98849	1.0
101.06001	0.9
105.07006	1.2
107.01328	0.5
107.08570	4.5
109.10150	4.4
111.08084	2.7
111.11696	1.9
115.07520	0.9
116.99483	2.1
119.08553	4.7
121.10123	5.1
123.11709	1.6
125.09621	2.6
129.07011	0.5
133.10109	0.6
135.11679	4.6
137.13239	1.0
139.11159	1.9
140.00983	1.1
145.10046	0.6
147.11687	1.1
149.13240	2.6
153.12712	1.8
163.14767	1.7
167.14285	1.3
173.09735	0.6
174.99196	10.3
176.98901	4.8
177.16330	0.6
177.82356	0.5
181.15935	0.9
186.14853	0.4
203.03331	1.4
219.21037	2.9
231.02789	1.7
237.22096	4.4
245.04457	1.8
249.03920	1.2
250.99911	1.3
252.99701	1.6
255.23265	0.6
273.03894	14.3
274.04297	1.2
287.20016	1.1
311.09177	0.8
311.16635	0.5
311.19965	1.9
311.25778	3.3
329.10138	10.0
329.17581	0.6
329.21097	4.3
329.26816	33.4
330.10492	1.5
330.21375	0.7
330.26953	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	329.1015
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
53.03917	0.4
55.05473	0.4
67.05480	0.7
69.03378	0.4
80.85329	0.3
81.03354	1.3
81.07005	0.6
91.05421	0.4
96.02041	0.4
98.98457	41.7
99.64443	0.3
105.06956	0.8
105.96358	0.4
109.02812	0.7
115.05427	0.3
116.99428	1.2
117.06959	0.5
121.02799	0.6
127.03871	0.7
137.01337	0.8
137.02322	12.8
140.00990	0.3
145.06406	1.0
157.06491	0.6
171.04254	0.6
174.97841	0.4
174.99196	4.1
175.07480	0.5
176.98924	2.2
187.03809	0.5
189.05428	1.2
195.07901	0.5
201.05432	2.4
211.03876	0.5
215.03398	1.3
219.06511	2.0
221.23227	0.3
226.06171	0.4
227.06992	1.1
229.04843	1.4
229.07080	0.4
233.04434	3.6
237.09044	0.5
239.03340	0.7
241.04926	2.5
245.04338	0.7
247.07729	0.3
250.06265	0.9
251.00165	0.4
251.06885	1.0
252.99686	1.1
253.04912	0.4
257.04419	24.6
258.05060	1.6
265.08444	0.8
267.06488	0.8
267.08997	0.4
268.07285	0.4
269.04477	1.3
269.07990	0.8
271.06012	0.6
273.03967	0.4
275.07001	2.3
278.05704	4.0
279.06458	1.7
281.04459	1.3
282.05246	0.8
283.05722	0.6
285.10034	1.1
293.08035	19.6
294.08368	0.6
295.06000	19.7
296.03433	0.7
296.06754	11.8
309.07553	0.4
310.04678	7.4
311.09097	100.0
312.09421	2.7
329.10159	49.6
329.21072	1.0
330.10464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
55.01866	0.5
55.04190	0.4
57.07072	1.2
59.04984	0.4
66.69497	0.3
67.05501	1.4
68.99783	1.6
69.03427	1.2
69.07066	0.6
71.04977	6.4
71.81179	0.4
71.81588	0.4
78.38448	0.4
79.05483	1.2
81.03378	0.6
81.07046	0.7
83.01324	0.5
83.04979	1.3
85.02895	0.7
85.06531	1.2
91.05447	0.8
93.07041	2.3
95.04951	1.9
95.08600	4.4
98.98454	100.0
100.98874	0.9
105.07019	0.9
107.04945	1.4
107.08591	1.7
109.02854	0.9
109.06512	0.6
109.10168	0.5
111.04444	0.7
111.08077	1.8
113.06027	0.5
115.03925	0.7
116.99471	3.0
117.07006	0.5
119.08596	1.6
121.06491	1.9
123.04403	1.5
123.08064	3.6
125.05956	1.3
127.03908	0.7
135.04393	3.9
135.07994	2.1
137.02336	3.3
137.05957	1.1
137.09619	3.8
139.07541	2.7
140.01010	0.4
141.09081	1.4
147.04370	0.6
147.08012	0.5
147.11661	0.5
149.05972	1.4
151.03960	0.5
153.01817	0.8
153.05432	1.0
153.09097	0.9
157.04964	1.0
159.11691	0.4
161.05936	0.5
163.03877	1.0
163.07503	2.8
165.09088	6.1
165.69394	0.4
167.07068	0.5
171.02937	0.4
171.06519	6.8
171.11673	0.4
173.06039	0.6
174.99208	11.4
175.03969	0.5
175.07443	0.6
175.11105	0.7
176.98894	4.8
177.05421	1.3
179.10632	3.2
181.08582	3.5
182.87825	0.4
187.11134	0.9
189.12724	0.6
191.03421	1.8
191.06992	0.4
191.10622	1.1
195.10141	2.0
197.11690	1.1
199.09586	0.4
201.05441	0.6
207.13751	1.5
208.05148	0.9
209.08076	5.6
209.11699	1.4
213.05423	0.6
215.10692	1.6
217.12270	3.2
219.02882	2.1
219.06520	0.5
223.09586	0.6
229.04900	1.2
233.11710	2.4
235.13274	10.3
240.04117	0.7
241.04933	1.0
241.10721	3.2
243.10162	0.8
245.04430	1.0
251.00020	0.9
252.99690	1.6
253.04990	0.5
257.04419	13.6
258.04971	0.6
261.11246	1.2
269.04437	3.0
269.08005	1.5
271.06000	1.1
273.03970	0.6
279.12247	22.6
281.04410	0.7
282.05246	0.6
283.05905	1.4
283.08932	0.4
284.09030	0.5
293.07999	1.8
295.06046	1.9
296.06812	3.3
297.07339	0.5
297.13156	0.8
311.05621	0.7
311.09125	14.8
311.14798	10.9
312.09293	1.1
315.08572	1.8
329.06390	3.5
329.10095	18.5
330.10751	2.5
352.89267	0.4
354.77368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1015
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
50.14062	0.1
51.19252	0.1
54.91810	0.1
57.58029	0.1
65.03928	0.3
67.05492	1.0
70.59055	0.5
81.07043	0.1
85.06520	0.3
86.68741	0.2
89.56052	0.1
90.97840	0.1
97.65388	0.1
98.21356	0.1
98.98452	10.5
100.98865	0.2
102.16315	0.1
105.07026	0.2
109.02905	0.1
116.99458	0.3
117.06934	0.1
118.76232	0.1
121.02870	0.2
137.05864	0.1
173.05925	0.3
174.99199	1.1
176.98889	0.5
200.74710	0.1
201.05444	1.0
203.03368	0.8
210.52759	0.1
215.16541	0.1
228.04028	0.2
229.04926	4.6
239.03366	0.3
240.04118	0.2
241.04953	1.1
245.04457	1.9
257.04404	100.0
258.04782	2.4
265.08600	0.2
269.04465	1.4
269.07706	0.2
271.06039	0.1
278.05676	0.2
282.05151	0.3
283.05853	0.3
283.09723	0.2
293.08041	0.6
295.05978	0.3
296.06656	0.5
311.09082	5.8
329.10138	20.7
330.10516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1015
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
65.03910	0.5
67.05479	1.6
69.07043	0.8
70.23344	0.8
70.23756	1.6
81.07047	1.3
88.07187	0.4
95.08582	1.2
98.98459	28.7
109.10113	0.8
116.99504	1.0
123.11687	0.5
137.02351	1.0
174.99232	3.3
176.98932	1.4
189.05614	0.8
201.05495	1.5
203.03362	2.0
207.02832	0.7
213.05411	2.2
228.04170	0.6
229.04979	5.9
241.04947	12.6
245.04372	2.7
247.02357	1.4
250.06250	1.3
252.99783	0.9
253.04948	1.5
255.06479	3.2
257.04434	84.4
258.04758	2.1
265.08572	2.5
268.03546	1.0
269.04437	12.4
269.08011	2.2
271.06000	1.9
273.03854	0.8
278.05716	4.4
281.04468	4.5
282.05249	6.8
283.05975	3.1
283.09283	0.9
293.08081	6.8
295.06042	1.8
296.06757	4.6
311.09113	100.0
312.09439	4.4
329.10123	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1012
Annotation	hyperxanthone E
Peak:m/z	Relative Intensity
51.59969	0.3
55.85979	0.2
68.99753	0.3
69.97793	0.7
69.98206	0.7
98.98448	1.9
114.81891	0.2
115.05441	0.2
135.48497	0.3
167.89803	0.2
171.04324	0.5
174.99179	0.3
189.05467	0.3
199.03841	0.4
203.03296	0.3
213.05328	0.3
217.04921	6.0
231.02870	0.6
231.06430	0.3
245.04425	19.6
246.04761	1.0
259.06085	0.4
261.03906	0.4
273.03891	100.0
274.04184	3.1
282.05161	0.4
283.09219	0.3
287.05460	2.5
294.39352	0.2
296.06787	0.7
311.08667	0.4
329.10144	54.8
330.10742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1015
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
57.07043	0.8
58.64196	0.6
59.04969	1.5
67.05481	1.1
69.75417	4.4
75.86728	0.6
85.06510	1.4
93.91179	0.6
98.98454	36.1
107.04922	1.1
116.99471	0.8
117.43715	0.7
153.01785	1.3
169.47479	0.6
174.99193	4.0
176.98865	2.1
185.05922	0.8
187.03780	1.0
189.73738	0.6
195.07729	0.7
201.05344	1.6
213.05460	1.3
215.03297	1.2
226.06210	0.9
229.04955	9.6
230.05672	1.2
240.04108	1.5
241.04941	3.5
242.05679	1.1
245.04430	5.4
250.06169	1.2
253.04765	3.9
254.05591	1.1
255.06487	1.9
257.04422	84.5
258.04883	3.0
259.06009	1.3
264.82458	0.6
265.08600	0.8
267.06500	1.1
268.07150	0.7
269.01477	0.9
269.04434	16.3
269.07672	1.2
270.04846	1.2
271.05951	5.6
273.04025	1.2
276.07764	0.7
278.05582	0.7
281.04398	3.0
282.05157	3.1
283.05984	5.6
283.09485	2.0
285.07602	0.9
293.08075	10.5
294.08411	0.8
295.05939	13.7
296.06778	19.5
297.07413	0.7
309.07562	1.4
311.09100	98.0
312.09482	3.8
329.10153	100.0
330.10474	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	329.1015
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
55.65166	0.3
66.20956	0.3
67.05513	1.8
69.72060	2.6
85.06522	0.5
98.20694	0.5
98.98460	30.9
115.05338	0.3
116.99481	0.8
124.92661	0.4
174.99211	3.8
176.98930	1.7
191.55922	0.4
201.05344	1.0
203.03380	0.9
213.05496	0.5
229.04929	10.2
241.04945	8.2
242.05165	0.5
245.04384	3.2
247.02351	0.8
249.03851	0.7
250.06242	1.0
253.04883	1.1
255.06477	1.9
257.04440	60.1
258.04840	2.4
265.08624	1.0
268.03674	0.4
269.04456	12.4
269.08032	1.9
270.04810	0.9
271.05280	1.4
273.03943	4.7
278.05762	2.4
281.04352	1.8
282.05225	4.4
283.06122	1.7
283.09464	1.8
293.08093	5.1
295.06000	0.7
296.06763	2.8
311.09119	32.6
312.09491	1.2
314.06931	0.5
326.98764	0.4
329.10159	100.0
330.10504	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	329.1014
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
56.17236	0.9
57.06592	1.0
64.83011	1.0
67.05491	1.0
84.08131	9.2
95.49130	1.1
98.98457	65.3
116.99464	1.9
128.17082	1.1
130.08574	1.0
152.43739	1.0
153.01823	2.3
158.77336	1.1
174.99216	8.0
176.98959	3.0
200.04707	1.1
201.05434	1.2
212.04677	1.1
213.05556	1.1
219.24127	1.1
229.04907	5.2
233.83144	1.1
240.04123	2.2
241.04929	7.0
245.04456	3.5
246.98941	1.0
252.10121	1.0
252.99524	1.8
253.04974	8.1
254.05908	1.2
257.04425	36.8
258.05130	2.3
266.24744	1.2
267.06635	1.2
269.04434	22.5
269.07663	1.6
273.03885	2.4
278.05817	1.1
280.80853	1.2
281.04425	3.4
282.05243	2.7
283.06079	5.1
283.09171	1.3
293.08075	18.2
295.05917	13.0
296.06778	16.9
309.07565	2.1
311.09100	100.0
312.09436	3.5
312.65649	1.2
329.10147	37.2
329.28119	1.1
330.10657	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1015
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
54.02199	0.2
55.05506	0.2
56.53441	0.2
65.03923	0.6
67.05507	1.9
70.22095	1.3
73.80948	0.2
84.15668	0.3
98.98454	19.3
103.50022	0.2
109.02816	0.4
109.06453	0.3
113.41058	0.3
116.99420	0.3
120.12648	0.2
129.07002	0.4
131.87097	0.3
137.02318	1.1
137.62927	0.2
157.06459	0.4
167.66281	0.2
171.04353	0.3
174.99196	2.2
176.98926	0.9
201.05472	0.6
203.03314	1.2
207.02882	0.3
213.05421	1.6
227.07094	0.4
228.04147	0.5
229.01443	0.4
229.04938	3.9
231.02863	0.4
241.04936	13.6
242.05420	0.6
244.03641	0.4
245.04457	1.4
247.02335	1.8
247.07561	0.3
250.06221	1.6
251.07028	0.3
252.99753	0.4
253.04980	1.9
255.06541	3.5
257.04425	48.1
258.04724	1.2
265.08563	2.4
267.06363	0.7
268.03693	1.4
268.06094	0.3
269.04422	14.5
269.07993	2.7
270.04807	0.8
271.05859	1.5
273.03812	0.5
275.07077	0.4
278.05679	3.9
281.04410	4.8
281.07635	0.5
282.05203	7.1
283.05939	3.7
283.09338	1.7
287.04440	0.6
292.07193	0.3
293.08041	7.1
295.05954	2.1
296.06760	5.8
305.09799	0.3
311.09091	100.0
312.09454	5.0
329.09708	7.9
329.20993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1016
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
51.57584	0.3
68.99802	0.3
72.22931	0.3
80.95476	0.3
86.29958	0.3
98.21507	0.5
98.98455	9.9
113.30046	0.2
119.08564	0.3
129.95618	0.3
144.33038	0.3
161.02386	0.4
167.36145	0.3
174.99222	1.0
176.98827	0.6
199.03883	0.8
201.05443	0.9
212.04631	0.7
213.05458	1.8
223.03906	1.0
227.03409	0.9
229.89656	0.3
240.04176	4.0
241.04915	12.2
242.05289	0.6
244.03600	0.8
245.04465	0.9
250.06230	0.4
251.03348	0.4
255.06532	0.4
257.04391	1.3
269.04416	78.8
270.04739	2.5
273.03827	1.7
281.04358	0.8
282.05161	0.4
283.05923	1.1
283.09528	0.4
293.07941	0.4
295.05923	3.1
296.06741	3.1
311.09097	100.0
312.09460	4.8
329.10147	11.8
330.10461	0.5
337.42267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99254	0.8
53.03940	1.5
55.05501	6.4
55.94272	0.9
57.03431	1.6
57.07066	1.3
65.03935	0.9
67.05492	15.5
69.03410	1.1
69.07059	13.9
70.97396	3.0
71.04977	1.5
77.73913	0.8
79.05477	10.3
81.03405	2.4
81.07047	21.8
83.04966	3.6
83.08600	3.1
85.06504	1.8
91.05463	7.5
92.05791	1.3
93.07029	8.7
95.04951	4.0
95.08586	8.3
97.06521	3.8
97.10152	1.9
98.09693	1.1
98.98450	100.0
100.98994	0.8
105.07009	8.9
107.04947	1.9
107.08582	7.4
109.06509	3.2
109.10149	2.8
111.08067	1.6
116.99505	2.2
117.07009	2.1
119.08556	8.1
121.10125	5.4
123.08054	3.5
123.11684	2.0
131.08543	3.6
133.06519	0.9
133.10117	7.0
135.11644	5.6
137.09593	1.4
140.01120	1.0
145.10129	3.6
147.11687	4.7
149.09612	2.6
149.13277	2.8
151.11220	1.2
153.06725	0.8
157.10132	1.1
159.11690	2.5
161.13307	1.2
163.11180	2.6
165.12772	1.0
171.11583	1.0
173.13368	1.0
174.76556	0.9
174.99207	10.5
176.98926	3.7
177.12720	1.2
181.12196	6.1
189.05429	1.1
193.12178	1.1
195.13800	4.8
197.13132	1.2
217.04919	5.7
228.66321	0.9
237.14961	1.1
245.04424	22.1
247.20775	1.1
252.99768	2.1
257.19138	0.9
261.03912	5.2
273.03909	87.2
275.20056	8.2
287.05487	1.9
293.21094	2.8
310.07669	0.9
311.08734	1.1
328.08524	5.4
329.10144	93.4
329.21024	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1016
Annotation	Hyperxanthone D
Peak:m/z	Relative Intensity
54.35173	0.2
55.05518	0.3
60.13102	0.2
61.02922	0.2
64.05857	0.3
67.05491	0.8
69.07040	0.5
69.53005	0.6
69.53412	2.6
79.01326	0.3
79.01861	0.7
79.05502	0.5
81.03400	0.3
81.07056	0.8
91.05494	0.6
93.07037	0.5
95.04966	0.4
95.08625	0.6
98.98457	100.0
100.98881	1.1
105.07029	0.6
107.08583	0.5
109.10129	0.3
116.99509	3.4
119.08587	0.5
121.02862	0.3
121.06490	0.3
121.10075	0.4
123.11659	0.3
131.08598	0.4
133.10060	0.3
137.02310	1.9
140.01096	1.0
145.06482	0.5
147.11670	0.6
157.06348	0.3
173.06000	0.3
174.99216	10.6
176.98894	5.6
187.03831	1.5
189.09103	0.4
201.05466	1.0
213.05336	0.4
215.03354	1.9
215.07002	0.3
217.08122	0.2
219.06534	0.3
229.04961	2.3
233.04408	6.6
239.03488	0.6
241.04984	2.1
243.02817	2.3
245.04570	1.7
250.99892	1.6
252.99693	2.0
257.04425	50.2
258.04987	2.6
267.06519	0.4
269.04553	1.7
269.07068	0.2
271.02390	4.7
271.06003	2.7
271.60565	0.3
273.03860	2.6
278.05692	0.7
281.04556	0.5
283.05862	0.5
283.09348	0.4
287.05328	0.4
293.08075	4.3
295.05936	2.4
296.06693	2.4
310.04584	0.7
311.05582	1.4
311.09085	17.5
312.09650	0.8
329.06769	3.1
329.10153	62.8
329.21036	1.8
330.10532	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	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30994	0.5
50.42431	0.4
52.69302	0.4
52.72068	0.5
55.01859	1.5
55.05501	12.9
57.07056	0.6
59.04992	0.9
60.51339	0.5
67.05508	3.7
69.03415	1.4
69.07056	4.8
70.05343	3.3
79.05482	5.5
81.07047	5.2
83.04972	1.9
83.08611	9.0
85.06496	0.6
91.05477	2.7
93.07018	3.4
95.08582	1.7
97.06528	1.1
97.10154	18.2
98.10463	0.9
98.98452	100.0
100.98866	0.9
101.06047	0.6
105.07014	4.0
107.04948	0.8
107.08578	20.5
109.06483	0.9
109.10169	1.2
111.08081	0.6
116.99477	4.1
117.07011	0.9
119.08559	2.4
121.10109	1.0
123.07975	0.6
125.09618	17.0
126.09982	0.5
131.08556	0.7
133.10086	3.0
135.08052	1.4
140.01054	0.7
143.10658	0.5
145.10097	1.8
147.11655	1.4
149.09584	1.2
153.09105	1.1
159.11609	1.0
160.74826	0.5
171.10153	1.9
171.11548	0.6
174.99200	11.4
175.99530	0.7
176.98918	5.3
181.12244	0.8
189.11197	26.6
190.11514	0.6
229.05005	0.6
239.17863	1.3
245.04469	2.0
251.00076	0.8
252.99710	2.0
257.04407	5.4
257.18982	2.1
269.04480	0.8
273.03992	3.5
275.20029	23.1
276.20505	1.6
286.04242	0.9
293.21158	2.8
311.09058	3.0
328.08926	2.1
328.19794	1.4
329.06479	0.9
329.10159	9.9
329.13733	0.9
329.21155	1.4
347.86789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01852	1.1
55.05503	3.8
56.05012	0.6
57.03423	1.5
57.07047	0.6
59.85640	0.4
67.05494	9.2
69.07056	8.9
69.55764	3.6
69.56184	1.2
71.04990	0.8
74.23475	0.5
79.05478	6.7
81.03407	1.1
81.07040	12.5
82.07337	0.5
83.04966	0.9
83.08601	1.4
85.06525	1.1
86.42496	0.4
91.05472	4.5
93.07027	6.0
95.04933	2.4
95.08590	6.8
97.06519	2.4
97.10147	1.2
98.09686	0.7
98.98450	94.6
99.08097	0.7
100.98902	0.6
105.07026	5.1
107.04954	1.0
107.08595	4.7
109.06493	2.1
109.10127	2.1
111.08035	0.9
116.99487	2.8
117.06998	0.8
119.08564	4.6
121.06386	0.6
121.10126	3.2
123.08043	1.7
123.11700	1.7
125.09629	0.6
131.08536	1.7
133.10100	4.2
135.08025	0.5
135.11642	4.7
137.09601	0.9
140.01035	0.9
140.91911	0.5
145.10066	1.7
147.11636	2.2
149.09616	0.7
149.13232	1.5
151.11191	0.5
152.88716	0.7
157.10045	0.6
159.11661	1.7
161.13240	0.5
163.11186	1.2
169.10043	0.5
171.11644	1.0
173.13292	0.8
174.99185	9.5
175.11127	0.7
175.99519	0.9
176.98911	5.5
177.12755	0.8
181.12198	3.4
183.11565	0.6
187.03862	0.6
189.05511	0.9
195.13678	2.7
199.13129	0.6
208.21603	0.6
213.14700	0.5
215.03354	0.5
217.04936	6.1
231.02899	0.6
241.04889	0.6
245.04420	25.9
250.99986	1.6
252.99738	1.6
257.04675	0.6
257.18930	0.6
258.04617	0.8
261.03882	5.9
273.03888	95.0
275.20007	5.4
276.20264	0.6
285.04196	0.6
286.04141	0.9
287.05478	1.9
293.21106	1.4
310.07852	1.4
311.08984	0.9
311.20157	0.9
328.08676	5.1
328.19052	0.9
329.10141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59874	0.4
57.03434	0.8
60.04536	0.4
61.02921	0.6
65.24052	0.3
69.03420	1.2
69.07066	3.8
70.06581	1.5
71.29958	0.7
71.30305	0.7
72.08144	0.6
73.02904	0.4
73.06561	0.5
74.06085	0.6
76.45264	0.3
77.01596	0.4
81.03394	0.6
84.04477	0.6
84.08131	0.7
85.02897	6.4
86.09683	0.5
87.08096	11.2
89.06021	14.9
91.03934	0.4
91.05463	0.9
95.04912	0.4
95.08621	0.4
97.02876	1.4
98.98457	100.0
99.04435	0.4
100.98871	0.6
105.07061	0.4
107.07054	7.2
109.02859	0.9
113.85816	0.3
116.07056	0.4
116.99480	3.3
119.04946	0.9
123.04385	1.3
127.03906	1.2
131.66998	0.4
132.14700	0.4
136.07562	1.6
137.02296	0.5
139.03857	0.4
140.01041	0.8
145.04933	1.2
147.04407	1.0
148.07507	0.5
149.11717	50.6
150.12038	1.2
165.05408	0.4
166.03198	1.6
166.08572	0.8
167.10628	0.5
174.99203	11.2
175.07510	0.7
175.99547	1.1
176.98891	4.3
177.05455	2.3
191.03395	0.6
191.06981	0.6
219.02945	0.5
228.97862	0.5
250.99957	1.2
252.99664	1.9
301.06937	0.4
301.18582	0.4
328.08597	0.5
329.06387	1.4
329.10083	2.0
329.15390	0.5
350.51675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	3.9
57.15432	0.7
59.04992	50.4
61.02919	1.6
63.64873	0.7
69.03407	1.9
69.47280	4.5
69.47705	3.5
70.08172	0.7
73.06544	100.0
74.06854	1.5
80.75266	0.7
85.02890	11.1
97.02895	2.3
98.98449	30.0
117.09109	11.7
117.45019	0.7
120.08127	0.9
122.17535	0.7
127.03907	1.5
128.89308	0.6
131.10663	10.6
146.94551	0.7
149.11708	76.5
150.12086	1.8
174.99174	4.5
176.98926	1.8
190.08682	2.6
197.31004	0.7
328.15469	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	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93455	0.6
53.03948	0.9
55.05501	4.4
57.07067	4.5
59.04981	0.8
67.05497	6.3
69.03420	1.3
69.06699	1.0
69.07057	16.9
70.06337	2.4
70.06754	1.1
71.04977	1.2
72.10214	0.5
78.44300	0.6
79.05460	3.4
81.07043	29.2
83.08607	5.3
85.06531	3.6
91.05475	1.6
93.07027	8.0
94.09688	0.5
95.08015	1.2
95.08595	14.1
96.08952	0.6
97.06522	2.3
97.10142	2.2
98.21352	1.0
98.98451	100.0
99.08070	1.0
105.06998	3.4
107.08575	7.6
109.06504	0.7
109.10145	12.7
111.08066	2.1
111.11712	4.1
116.99502	2.3
119.08548	1.6
121.10133	3.7
123.11692	30.1
125.13235	1.5
127.11149	0.6
131.04913	0.8
133.10153	0.8
135.11682	5.5
137.06007	1.4
137.13217	4.4
139.11157	1.0
141.06979	0.6
147.11690	2.3
149.13242	4.7
151.14777	1.5
153.12726	8.1
155.14267	4.2
161.13200	1.1
163.07559	0.7
163.14795	2.8
165.12724	1.1
167.14291	0.7
174.99208	17.0
175.03859	1.1
175.99435	0.5
177.09129	1.4
177.16383	1.2
189.16360	0.6
191.17938	1.8
203.17979	0.9
217.19586	0.9
251.00063	3.3
257.04440	1.3
269.04401	0.9
273.04077	0.5
273.25751	1.7
279.26871	1.9
281.08081	2.0
285.03958	1.7
291.26669	3.4
297.03958	0.6
309.07513	3.8
309.16986	1.0
309.27768	1.8
327.08569	14.5
327.12189	0.9
327.19696	0.9
327.23727	0.6
328.09061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77525	0.2
53.03937	0.4
55.05499	0.3
56.21969	0.2
58.20767	0.2
58.48913	0.2
61.02915	0.4
67.05450	0.2
69.03421	1.3
71.45170	0.3
71.45518	0.5
77.03925	0.2
79.05473	2.2
80.04993	0.8
81.03425	0.4
83.08602	0.3
85.02901	1.7
87.04445	0.4
91.05464	2.0
92.04987	0.3
93.05746	0.3
93.07027	3.1
95.04933	0.6
97.02879	0.9
98.98447	37.3
100.11238	0.4
100.98877	0.3
103.05451	4.5
105.05762	0.7
116.99471	1.0
118.06532	0.6
119.07320	0.5
120.08084	14.1
121.08356	0.3
121.10102	0.7
126.53358	0.2
127.03889	0.4
130.06520	2.1
130.39233	0.2
133.05220	0.5
140.06601	0.2
142.12215	0.4
148.07545	100.0
149.07896	2.6
163.07689	0.3
166.08618	6.9
166.10060	0.3
170.11726	0.3
174.99213	4.0
175.99628	0.3
176.98860	1.6
251.00008	0.6
252.99680	0.7
328.09012	0.3
328.13354	0.5
328.25446	0.4
328.28867	0.4
329.09964	0.3
329.15726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93455	0.6
53.03948	0.9
55.05501	4.4
57.07067	4.5
59.04981	0.8
67.05497	6.3
69.03420	1.3
69.06699	1.0
69.07057	16.9
70.06337	2.4
70.06754	1.1
71.04977	1.2
72.10214	0.5
78.44300	0.6
79.05460	3.4
81.07043	29.2
83.08607	5.3
85.06531	3.6
91.05475	1.6
93.07027	8.0
94.09688	0.5
95.08015	1.2
95.08595	14.1
96.08952	0.6
97.06522	2.3
97.10142	2.2
98.21352	1.0
98.98451	100.0
99.08070	1.0
105.06998	3.4
107.08575	7.6
109.06504	0.7
109.10145	12.7
111.08066	2.1
111.11712	4.1
116.99502	2.3
119.08548	1.6
121.10133	3.7
123.11692	30.1
125.13235	1.5
127.11149	0.6
131.04913	0.8
133.10153	0.8
135.11682	5.5
137.06007	1.4
137.13217	4.4
139.11157	1.0
141.06979	0.6
147.11690	2.3
149.13242	4.7
151.14777	1.5
153.12726	8.1
155.14267	4.2
161.13200	1.1
163.07559	0.7
163.14795	2.8
165.12724	1.1
167.14291	0.7
174.99208	17.0
175.03859	1.1
175.99435	0.5
177.09129	1.4
177.16383	1.2
189.16360	0.6
191.17938	1.8
203.17979	0.9
217.19586	0.9
251.00063	3.3
257.04440	1.3
269.04401	0.9
273.04077	0.5
273.25751	1.7
279.26871	1.9
281.08081	2.0
285.03958	1.7
291.26669	3.4
297.03958	0.6
309.07513	3.8
309.16986	1.0
309.27768	1.8
327.08569	14.5
327.12189	0.9
327.19696	0.9
327.23727	0.6
328.09061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01871	0.8
55.05498	3.0
57.03415	0.7
57.07066	34.6
67.05495	6.9
69.03417	1.0
69.07065	4.5
70.08861	3.6
71.04964	1.1
77.01588	0.6
79.05482	4.7
81.03378	1.2
81.07047	7.3
83.04976	1.4
83.08613	1.4
84.45622	0.7
85.06537	6.1
91.05464	6.7
93.07030	16.7
93.69910	0.6
95.04343	0.9
95.04951	16.4
95.08598	11.2
96.05257	0.7
97.06510	4.3
98.20734	0.8
98.98452	100.0
99.04433	1.7
103.05455	0.9
105.03394	1.4
105.07016	15.3
107.08581	8.5
109.06519	3.6
109.10146	4.3
111.04401	1.2
115.05389	0.9
115.95508	0.6
116.99498	3.4
117.07015	4.8
119.08574	13.8
121.06489	3.9
121.10123	6.8
123.08034	3.3
123.11700	1.7
128.06203	1.5
129.07007	1.9
130.07779	1.4
131.08549	6.8
133.06502	0.8
133.10120	10.3
133.11034	1.0
135.08051	2.2
135.11685	3.2
137.09567	1.3
140.01053	1.1
141.06934	1.0
142.07762	2.7
143.08539	4.5
144.09395	1.2
145.06471	0.6
145.10106	16.2
147.08029	1.6
147.11653	3.3
148.74860	0.6
149.09637	1.8
155.08540	1.3
156.09315	1.7
157.10126	5.8
158.10855	1.1
159.08075	1.9
159.11673	10.8
161.09604	3.2
161.13260	1.7
165.06956	1.6
167.08586	0.7
168.09300	0.8
169.10175	3.0
170.10895	1.2
171.07983	0.9
171.11665	4.9
172.12337	0.7
173.09642	2.7
173.13269	3.8
174.99194	16.6
175.00586	1.1
175.03879	0.8
175.11275	0.7
175.14842	4.5
181.10120	2.3
182.10893	1.5
183.10165	0.7
183.11691	3.0
185.13223	2.6
187.11183	2.4
187.14748	4.2
189.16316	1.0
193.10127	1.2
195.11707	2.4
196.12323	0.7
197.13252	6.9
199.14796	2.4
201.09138	1.0
201.16316	1.0
203.14378	4.0
205.04953	0.9
207.11671	1.4
209.13239	2.8
211.11183	3.0
211.14781	1.8
213.16483	0.7
215.14296	0.9
217.15837	1.5
221.13312	1.4
223.11113	1.2
223.14673	0.8
225.12744	2.0
225.16240	1.5
227.10678	1.5
227.14267	1.0
235.14894	1.0
237.16400	0.9
239.13667	1.5
239.18016	2.1
241.12190	3.4
243.13788	8.0
250.99983	2.2
251.17940	1.1
253.15891	0.9
253.18738	1.1
257.15488	1.2
265.19357	0.8
267.12741	1.6
267.17325	1.0
291.20923	1.1
295.16882	1.1
309.07635	1.1
309.14774	1.5
309.17706	4.7
309.22147	2.5
327.08478	4.3
327.12357	1.1
327.15817	0.8
327.19287	21.8
327.23346	1.8
328.19760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05500	5.7
57.03426	2.1
57.07069	8.4
67.05502	12.3
69.03403	2.3
69.07058	7.7
70.42697	4.7
71.04954	1.5
79.05482	9.8
81.03416	1.7
81.07040	12.6
83.04953	1.7
83.08603	2.8
85.06522	3.3
91.05466	17.0
93.07031	33.3
95.04956	35.6
95.08593	21.1
97.06517	9.3
98.20634	1.0
98.98454	100.0
102.85580	1.2
105.07015	28.0
107.08573	16.2
109.06511	6.3
109.10145	12.2
115.05455	1.6
116.06211	1.1
116.99475	2.3
117.06990	7.5
119.07719	1.7
119.08567	25.4
121.06503	7.1
121.10139	15.4
123.08040	6.5
123.11691	2.6
128.06221	3.0
129.06978	3.9
130.07761	1.7
131.08548	13.0
133.10115	18.2
135.08035	6.2
135.11682	5.5
137.09612	2.0
141.06934	2.4
142.07774	5.3
143.08549	8.3
144.09335	2.5
145.06459	1.0
145.10109	19.4
147.07997	2.5
147.11610	5.7
149.09570	2.3
149.13217	2.2
152.06210	2.1
153.06952	2.8
155.08568	4.0
156.09317	3.6
157.10117	16.2
158.10831	2.2
159.08011	2.0
159.11679	17.9
161.09644	6.2
161.13246	1.6
163.11060	1.2
167.08586	1.5
168.09396	1.1
169.10100	6.2
170.10878	2.3
171.08083	1.3
171.11673	6.1
173.09538	5.0
173.13223	6.0
174.99200	16.3
175.11134	1.2
175.14835	7.5
179.08488	1.6
181.10089	1.9
183.11699	5.8
185.09602	1.7
185.13231	4.4
187.11211	2.9
187.14822	6.8
189.12686	1.9
189.16388	1.9
193.10074	1.8
194.10759	1.3
195.11655	2.9
197.13182	5.4
199.14778	4.3
201.16342	2.0
207.11702	1.5
209.13226	3.2
211.14774	3.0
213.16370	1.3
215.14294	1.5
217.15819	2.6
221.13283	1.7
223.14694	1.8
225.16360	1.9
227.03502	1.0
227.14151	1.2
228.04134	3.2
228.09375	1.1
229.15981	1.7
233.03658	2.7
233.13110	1.0
235.14735	2.4
241.19255	1.4
250.99976	2.8
251.04576	0.9
253.15819	1.8
256.03687	10.7
271.05972	22.9
271.20242	1.0
272.06305	2.8
279.90042	1.1
291.21039	1.2
292.27313	1.1
296.07999	1.2
309.07520	1.5
309.21860	2.3
327.07928	12.2
327.12186	10.9
327.15863	1.7
327.19418	4.3
327.23196	6.8
328.08545	1.4
328.12329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1586
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03923	0.4
53.42203	0.3
55.01854	1.1
55.05502	0.3
57.07053	0.3
57.52148	0.3
65.03933	0.5
67.05496	0.5
69.03405	0.6
70.06565	0.7
71.13009	0.6
72.08147	0.6
77.01584	0.6
79.05496	2.0
81.03392	0.6
81.07048	1.4
85.02872	1.9
86.03209	0.5
86.09660	0.6
91.05463	3.9
93.07033	0.9
94.04160	2.0
95.04950	1.0
95.08531	0.4
97.02888	0.7
98.98450	100.0
103.05452	12.6
105.07015	6.7
107.04910	2.8
107.08582	0.6
108.05688	0.4
108.08066	0.5
109.06491	2.5
111.04405	0.5
111.06796	0.3
115.05456	1.5
116.07074	0.4
116.99483	3.9
117.07011	2.4
119.04925	0.9
119.08559	0.6
121.06493	5.4
121.36245	0.3
122.02814	0.4
122.03635	5.1
123.04433	0.7
123.08062	1.6
127.03910	0.7
128.06187	0.6
129.06958	0.8
131.04906	15.2
131.08609	0.4
133.06470	28.8
134.06779	0.5
135.04395	0.5
135.08026	9.3
136.05161	0.4
137.05956	80.9
138.06291	1.9
140.01067	0.7
143.04907	1.2
143.08537	0.5
145.05092	0.4
145.06459	6.8
147.04367	0.3
147.08015	1.8
148.02126	1.0
149.05971	1.8
151.03891	1.7
151.07516	10.3
157.06477	3.0
159.08070	0.4
160.05222	0.5
161.05956	0.7
162.06810	0.4
163.07513	42.1
164.07919	1.4
165.09111	0.7
166.03203	1.8
170.79164	0.3
171.08040	1.0
173.05933	0.5
174.99196	14.8
175.07527	2.5
177.05469	1.0
177.09065	1.3
187.07475	1.7
188.08333	0.3
189.05495	0.3
189.09097	2.0
193.00293	0.4
197.05931	0.7
202.07651	0.6
203.10655	1.5
207.08026	0.5
215.14423	0.3
217.10196	0.4
220.08794	0.7
225.05443	2.5
235.11174	1.7
243.06401	0.7
245.09586	0.7
247.07484	0.3
248.08247	0.6
251.00031	2.8
253.04851	1.9
257.04373	0.5
263.10568	3.6
269.04468	0.6
271.05969	0.6
276.69266	0.3
280.10889	0.4
281.04343	1.3
283.17416	2.0
285.03839	0.4
293.06219	0.4
295.13242	11.9
296.13647	0.4
298.04779	1.4
299.05429	3.8
309.03928	0.5
309.14041	0.5
327.04947	18.3
327.08350	1.3
327.12500	0.8
327.15857	11.7
327.19821	2.1
328.05252	2.0
328.16061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73165	0.2
55.01868	0.6
55.05508	0.5
57.03425	0.3
57.07060	0.3
61.01136	2.3
61.99337	0.2
67.05499	0.6
68.99778	0.6
69.03429	0.5
69.07075	0.6
69.68768	0.2
71.05011	0.2
71.28031	0.4
72.04508	3.2
77.01580	0.3
78.03783	7.5
79.05493	0.6
81.03408	0.3
81.07048	1.2
83.08576	0.3
84.08150	0.4
85.02888	0.3
85.05310	0.2
91.05476	1.7
93.07026	0.7
95.04966	0.6
95.08604	1.1
98.98456	67.7
102.03755	11.5
102.04443	0.4
103.02143	0.5
103.05432	0.3
105.07029	1.9
107.08577	0.8
109.06511	0.6
109.10151	0.6
111.08029	0.3
115.05453	2.0
116.99498	1.7
117.06973	0.3
119.04924	0.3
119.08591	0.5
120.04757	1.3
121.10168	0.3
123.04423	5.6
123.08034	0.3
123.11703	0.5
130.04973	0.4
131.06380	8.4
132.04781	5.7
133.06493	3.1
137.02307	0.8
137.05989	1.7
140.01071	0.3
143.04907	0.3
143.08614	0.4
147.05864	0.4
147.11699	0.3
149.07425	72.9
150.07764	0.8
151.03972	0.3
151.07541	1.7
155.01643	0.3
161.05965	29.5
162.06355	1.0
163.07675	0.3
164.04672	1.5
170.20294	0.2
174.99216	11.2
175.03938	0.5
175.05348	0.5
175.07404	0.2
175.99480	0.3
179.07014	100.0
180.07358	3.2
196.98611	0.2
207.08005	0.2
229.04817	0.4
235.07614	0.3
239.07356	0.5
247.02345	0.4
250.10722	0.7
250.99986	2.5
257.04425	5.0
258.04773	0.4
263.07062	0.2
266.05777	0.6
269.04474	0.9
271.02350	0.9
273.03958	0.6
277.08426	0.2
281.07986	1.1
285.03839	0.6
285.07391	0.3
291.19281	0.3
294.05069	0.5
298.04602	0.3
299.09216	0.4
309.07617	2.6
310.07913	0.3
312.06131	0.2
327.04886	1.9
327.08539	6.6
327.13263	1.6
327.19321	0.5
328.08865	0.8
344.46408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1222
Annotation	Globulixanthone D
Peak:m/z	Relative Intensity
53.03949	0.2
54.42747	0.2
55.05473	0.3
57.07063	13.6
57.21872	0.2
67.05479	0.4
68.99776	0.5
69.03400	0.2
69.07053	0.3
71.60786	0.4
71.61116	0.2
79.05502	0.2
81.07046	0.4
83.01331	0.3
85.06528	3.8
91.05454	1.0
93.07018	0.4
95.04944	0.2
95.08575	0.5
98.98447	37.0
99.04444	0.5
105.03345	1.0
105.07022	0.6
106.03709	0.8
111.04434	0.5
116.99488	1.0
117.07013	0.6
119.08570	0.5
127.48962	0.2
128.06172	0.2
129.07007	0.2
131.04910	0.3
131.08548	0.3
135.04381	0.4
140.01064	0.6
141.06953	0.5
143.08560	0.4
145.02812	0.6
145.10092	4.0
153.01796	3.1
153.06950	0.3
155.08522	0.3
157.10080	0.3
159.08078	0.3
163.03874	0.2
165.01843	0.3
169.06476	0.6
169.10165	0.3
171.04388	0.4
171.08049	0.3
173.09605	0.6
174.99190	5.3
175.07530	0.8
181.10071	0.4
182.10767	0.2
183.10129	0.5
183.11609	0.3
185.05991	0.6
187.03897	0.4
187.07518	0.3
189.09126	0.4
195.11632	0.5
196.08789	0.2
197.06003	0.9
197.13257	2.0
199.03871	0.7
199.11084	0.2
200.04689	1.1
201.05382	0.4
201.09071	0.5
201.12839	0.2
203.07036	0.5
203.14313	1.8
205.04951	0.2
205.08524	1.1
211.11116	2.3
213.05484	1.3
215.06999	1.2
219.06415	0.4
223.11198	0.3
225.05408	0.9
225.12733	0.5
227.03470	0.2
227.10646	1.0
228.04124	0.7
229.04933	2.4
230.05342	0.3
239.17934	0.8
240.04163	0.9
241.04912	13.2
241.12128	1.3
242.05460	0.9
243.02888	0.4
243.06497	8.7
243.10211	0.4
243.13745	4.1
244.06871	0.6
247.06076	0.4
251.00156	1.0
253.04906	1.2
256.03632	3.0
257.04214	0.4
257.15439	0.2
267.17450	0.8
269.04358	0.8
269.11731	0.3
271.05960	100.0
272.06308	5.7
279.06537	0.3
285.07553	0.6
285.14722	0.5
294.08557	0.3
295.16833	0.3
309.07626	0.3
309.18347	0.3
327.08737	1.5
327.12198	33.1
327.19363	10.5
328.12579	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	327.0856
Annotation	Toxyloxanthone B
Peak:m/z	Relative Intensity
55.01872	0.1
55.05502	0.9
57.03435	0.2
57.07063	1.0
57.63990	0.1
59.04988	0.5
65.03928	0.1
67.01862	0.2
67.05491	1.0
68.99771	0.8
69.00721	0.1
69.07056	2.3
71.04991	0.3
71.81348	0.2
77.01588	0.2
79.05476	0.4
79.66016	0.1
81.07049	1.5
83.04974	0.1
83.08593	0.6
85.06550	0.4
91.05478	0.4
93.07009	0.7
95.08585	1.5
97.06524	0.3
97.10182	0.2
98.98450	51.3
99.08070	0.3
104.15733	0.1
105.07008	0.4
107.08575	0.7
109.10155	0.5
111.00786	0.1
111.11727	0.5
116.99493	1.6
117.07021	0.2
119.08591	0.3
121.10129	0.7
123.04409	0.2
123.08086	0.2
123.11699	0.5
125.09628	0.2
128.06250	0.2
129.06990	0.4
133.06512	0.4
133.10110	0.2
135.11653	0.4
137.05974	1.3
137.13240	0.5
139.03879	0.1
139.11165	0.3
140.01056	0.5
141.07011	0.1
143.08537	0.2
145.06488	0.2
145.10043	0.2
147.04340	0.2
147.07948	0.1
147.11725	0.2
149.13214	0.2
151.03905	0.2
151.07497	0.1
152.06250	0.1
153.01752	0.7
153.12651	0.1
155.04868	0.1
155.08548	0.3
157.10075	0.2
160.05128	0.1
161.05991	0.2
163.03851	0.2
165.05458	0.1
165.07004	0.2
165.09076	0.3
167.08507	0.1
169.06512	0.2
171.06570	0.2
173.06027	0.3
174.99196	7.9
175.03917	0.3
175.07512	0.2
175.11189	0.1
177.01859	0.1
179.03429	0.1
179.08554	0.3
179.10661	0.1
183.08028	0.5
185.09564	0.3
187.03825	0.3
189.05424	0.2
189.06995	0.1
191.06929	0.2
194.07243	0.1
195.08095	0.2
197.06004	0.5
197.09631	0.1
197.11655	0.1
201.05510	0.7
205.04950	0.1
206.07213	0.1
207.08075	0.4
207.09889	0.1
210.06813	0.3
211.04105	0.1
211.07516	0.4
213.05548	0.2
213.09009	0.1
215.03249	0.2
216.04167	0.4
217.04929	0.5
219.06503	0.2
221.05974	0.2
221.15393	0.1
223.02332	0.4
225.09087	0.2
228.04161	0.3
229.04942	2.0
231.02831	0.4
232.30504	0.1
234.06778	0.3
235.07480	1.8
236.08041	0.1
237.05492	0.3
237.09113	0.2
238.06232	0.6
239.03397	0.6
239.06989	0.2
240.07736	0.2
241.04924	0.6
241.08704	0.2
242.05704	0.2
243.02863	0.3
243.06461	0.2
244.03564	0.2
245.04379	1.7
248.04485	0.1
249.09074	0.3
249.14732	0.2
251.00009	1.8
252.04163	0.1
253.04950	0.3
253.08531	1.1
255.06381	0.2
256.03662	0.9
256.06232	0.1
256.07080	0.1
257.04410	5.6
258.05023	0.2
259.02368	0.3
260.03189	1.0
261.03909	0.3
263.06992	1.5
263.16345	0.2
264.07526	0.6
266.05692	4.5
266.08594	0.3
267.02832	0.1
267.06351	0.5
267.10022	0.2
269.04404	7.0
270.04974	0.4
271.02835	0.5
271.05975	0.6
271.09634	0.2
273.03891	3.8
277.08652	0.6
277.14297	0.3
280.07257	0.4
281.08044	16.1
282.08429	0.7
283.06046	0.4
283.09409	0.2
284.03101	0.4
285.03906	18.5
285.07272	1.0
286.04300	0.8
291.06458	0.4
291.26743	0.2
293.04282	0.3
294.05164	4.0
295.05817	0.4
295.15320	0.1
297.03903	3.7
297.07288	0.2
297.27863	0.8
298.04623	1.0
299.05478	1.1
299.09122	0.8
308.06940	0.2
309.07529	25.0
309.17032	0.5
309.27731	0.3
310.07874	1.1
311.05447	3.0
312.06223	3.5
313.06644	0.2
327.08569	100.0
328.08917	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	327.0859
Annotation	Dihydrosterigmatocystin
Peak:m/z	Relative Intensity
53.13317	0.2
55.05492	0.2
57.07046	0.3
67.05501	0.2
70.35868	0.4
70.36266	0.6
77.01591	0.3
79.01822	0.4
95.08608	0.5
98.98452	42.3
100.01399	0.2
101.23829	0.2
105.07035	0.4
108.80724	0.2
116.99471	1.2
117.07023	0.2
119.08608	0.3
125.02358	0.5
135.25603	0.2
137.02367	0.2
140.01024	0.4
142.13206	0.2
145.06470	0.6
148.13371	0.3
153.01805	8.2
154.02174	0.2
156.07581	0.2
157.06461	0.4
166.32860	0.2
173.05980	0.3
174.99202	7.7
179.08508	0.2
183.29959	0.2
192.64975	0.2
201.05467	2.0
211.07594	0.3
216.01750	0.2
219.06523	1.2
235.07523	0.9
242.05603	0.2
243.02911	0.3
243.06548	0.3
245.04514	0.3
249.03894	0.5
250.99976	1.4
253.08574	0.3
257.04333	1.3
262.65479	0.2
263.07013	0.7
266.05719	0.9
267.06421	0.4
269.04413	0.6
271.02438	0.2
273.03836	1.9
281.08060	0.8
283.06000	0.3
285.03876	1.0
285.07303	0.5
291.06442	0.7
294.05249	2.1
295.06091	1.1
297.03879	0.7
298.04669	0.5
299.05423	0.3
299.08905	0.2
309.07544	9.8
310.07889	0.6
311.05444	8.6
312.06201	6.3
312.09863	0.3
313.06366	0.3
326.04132	3.8
327.08572	100.0
328.08893	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	327.0859
Annotation	Toxyloxanthone B
Peak:m/z	Relative Intensity
55.05495	0.3
59.04964	0.1
60.70667	0.1
67.01853	0.2
67.05499	0.4
68.99771	0.9
69.07062	0.2
71.06323	0.3
79.05455	0.2
80.20341	0.1
81.07047	0.3
86.09653	0.1
93.07049	0.2
95.08585	0.2
98.98454	23.9
109.10102	0.1
115.05447	0.2
116.99499	0.6
117.06936	0.2
119.08546	0.2
121.06438	0.1
123.04463	0.1
129.06995	0.7
137.05959	0.5
140.01019	0.2
140.93793	0.1
141.06946	0.2
143.04857	0.2
143.08566	0.1
145.06471	0.4
153.01793	1.0
153.06932	0.1
155.04935	0.1
155.08571	0.4
157.06406	0.3
161.06055	0.1
165.07013	0.2
167.08557	0.2
169.06464	0.2
171.04280	0.1
173.05928	0.6
174.06715	0.2
174.99202	4.0
175.03867	0.2
175.07622	0.2
177.01865	0.2
178.07748	0.2
179.08557	0.5
183.04375	0.2
183.08034	0.5
185.09563	0.2
187.03958	0.4
189.06964	0.1
194.07071	0.1
197.05960	0.5
199.04053	0.1
201.05449	1.2
203.03357	0.3
205.04863	0.2
207.08002	0.4
210.06750	0.3
211.03896	0.2
211.07457	0.7
212.04517	0.1
213.05505	0.3
213.09082	0.1
215.03333	0.3
216.04173	0.6
217.04961	0.9
221.05942	0.2
223.02303	0.3
225.05365	0.3
225.09102	0.1
228.04060	0.5
229.04951	2.6
231.02844	0.6
235.07494	1.8
237.05385	0.3
237.09204	0.1
238.06203	0.6
239.03383	0.5
239.06963	0.3
240.04149	0.2
240.07802	0.2
241.04968	0.8
241.08669	0.2
242.05676	0.3
243.02846	0.5
244.03581	0.4
245.04372	1.9
248.04549	0.2
250.99976	0.7
252.04259	0.2
253.04921	0.5
253.08519	1.2
256.03687	0.8
256.07510	0.1
257.04413	9.1
258.04852	0.4
259.02341	0.4
260.03229	1.1
261.03931	0.3
263.06992	1.7
264.07657	0.6
265.05078	0.3
266.05707	7.0
267.06299	0.9
268.03604	0.2
269.04410	7.6
270.04968	0.7
271.02380	0.5
271.06042	0.6
271.09421	0.2
272.03244	0.2
273.03888	4.0
274.04303	0.2
277.08508	0.2
279.06372	0.4
280.07294	0.4
281.08047	19.4
282.05350	0.2
282.08356	1.2
283.06021	0.5
283.09335	0.2
284.03110	0.3
285.03915	19.9
286.04388	1.0
291.06500	1.2
292.07245	0.5
293.04410	0.3
294.05176	5.5
295.05823	0.5
297.03882	4.1
297.07306	0.2
298.04666	1.1
299.05450	1.3
299.09097	1.2
300.09259	0.2
308.06726	0.4
309.07541	29.9
310.07895	1.7
311.05438	3.6
312.06213	3.7
313.06787	0.1
327.08578	100.0
328.08954	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	327.0859
Annotation	Oblongixanthone A
Peak:m/z	Relative Intensity
52.45460	0.2
55.05499	0.6
56.54125	0.2
57.07065	0.3
59.04995	1.3
67.05495	1.0
69.03427	0.3
69.07044	0.6
69.60307	0.3
69.65720	2.1
71.04988	0.3
77.01591	0.4
78.96777	0.2
79.05485	0.7
81.07045	1.4
83.04971	0.4
83.08591	0.4
85.06532	0.3
91.05470	0.6
93.07026	0.9
94.09756	0.3
95.04973	0.4
95.08588	1.3
97.06516	0.4
98.98452	100.0
105.07033	0.3
107.08575	0.5
109.06484	0.3
109.10133	0.6
116.04346	0.2
116.98701	0.4
116.99476	3.8
117.06979	0.2
119.04906	0.3
119.08543	0.3
121.02875	0.5
121.10115	0.5
123.04408	0.8
123.11710	0.4
130.04959	0.3
131.04945	0.3
131.08549	0.3
137.02354	1.2
137.05986	1.3
137.06863	0.2
140.01083	0.9
147.04367	1.0
155.04945	0.2
156.67523	0.2
159.08014	0.3
163.03896	0.9
165.12704	0.2
174.99203	17.6
175.03888	3.9
175.99622	0.3
176.04533	0.3
177.05357	0.3
179.08502	0.3
187.03911	0.7
203.03310	0.5
205.04958	0.5
207.08095	0.6
213.05522	0.6
216.01900	0.3
221.05945	0.3
225.05406	0.6
229.01300	0.4
229.04849	0.4
234.06735	0.7
235.07532	0.9
237.05356	0.4
238.06227	0.8
239.06798	0.2
241.04921	4.3
244.03650	1.9
245.04346	0.5
247.02339	2.7
249.09161	1.1
250.99997	3.4
253.04903	0.3
253.08592	1.3
257.04407	3.3
262.06125	0.5
263.07001	2.1
265.04916	0.5
266.05685	3.4
267.06311	0.9
267.15652	0.2
268.03571	1.2
269.04428	14.9
270.04752	0.6
271.02344	5.1
271.05255	0.3
273.03857	0.6
277.08643	1.5
279.06583	0.4
281.04437	3.5
281.08060	4.1
283.09485	0.2
285.03894	1.6
285.07468	0.9
291.06454	0.6
291.19464	0.3
294.05154	2.8
295.05527	0.3
295.09650	0.4
299.12726	0.3
309.07541	54.3
310.07852	3.1
311.05457	0.3
312.06677	0.3
327.08585	41.7
327.12036	2.3
327.57382	0.4
328.08942	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	327.0857
Annotation	Toxyloxanthone B
Peak:m/z	Relative Intensity
57.03400	0.3
67.05480	1.0
68.99783	0.4
70.52972	0.5
70.53389	0.9
75.07178	0.3
77.07642	0.3
81.07039	0.4
91.02921	0.2
93.07045	0.4
95.04964	0.3
95.08585	0.5
98.98448	63.6
116.99477	2.0
129.06966	0.7
140.01082	0.8
145.06511	0.4
153.01828	0.9
155.08476	0.7
157.06554	0.3
169.06482	0.3
173.06006	0.3
174.99193	9.9
196.24208	0.3
201.05472	0.7
203.03348	0.4
207.08029	0.3
211.07518	0.4
216.04095	0.5
217.04948	1.0
228.04144	0.6
229.04968	1.8
231.02895	1.0
235.07446	1.5
237.05371	0.3
238.06129	0.5
239.03284	0.4
241.04865	0.6
243.02824	0.3
243.06541	0.4
244.03636	0.5
245.04430	2.5
250.99969	1.8
253.04944	0.4
253.08699	1.3
255.08960	0.7
256.03632	0.7
257.04413	5.5
257.08066	0.5
258.04858	0.5
259.02310	1.0
260.03214	1.1
261.03922	0.6
263.07034	1.5
263.09775	0.3
264.07605	0.5
266.05679	5.6
267.03061	0.4
267.06387	0.5
269.04382	6.0
270.05188	0.4
271.02286	0.5
271.05960	0.8
273.03915	3.9
273.10059	0.7
281.08032	15.4
282.08282	0.4
283.05978	0.6
285.03912	18.1
285.07346	1.5
286.04272	1.0
291.06519	0.6
294.05145	4.4
297.03940	3.4
298.04611	1.0
299.05405	2.0
299.08972	0.8
301.48798	0.3
309.07526	20.9
310.07925	0.9
311.05429	3.7
312.06140	2.7
327.08563	100.0
328.08878	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	327.0858
Annotation	Oblongixanthone A
Peak:m/z	Relative Intensity
54.85801	0.2
55.05490	0.3
63.97752	0.2
68.99792	0.4
69.91612	0.2
69.98358	0.2
71.17570	0.6
71.51971	0.2
71.55354	0.2
72.78487	0.2
78.16454	0.2
91.61296	0.2
98.98450	8.5
98.99097	0.4
116.99473	0.3
123.00757	0.2
124.02074	0.2
129.06998	0.5
153.01822	0.7
155.08456	0.3
173.05989	0.6
174.99236	1.5
183.08092	0.6
197.05884	0.4
201.05417	0.7
207.07993	0.2
210.70256	0.2
211.07455	0.2
215.03545	0.2
216.04216	0.4
217.04958	0.6
223.02315	0.3
225.09184	0.2
228.04166	0.7
229.04942	1.9
231.02856	0.6
235.07469	1.2
238.06317	0.4
239.03294	0.4
241.04935	0.5
243.02841	0.3
244.03596	0.3
245.04379	1.3
251.00079	0.3
253.08594	1.2
256.03693	0.9
257.04440	5.3
260.03195	0.9
263.07068	1.3
264.07700	0.5
266.05716	5.3
267.06287	0.4
269.04419	6.4
270.05185	0.4
271.02493	0.3
273.03903	3.5
280.07288	0.4
281.08060	17.8
282.08401	0.9
283.05914	0.4
285.03909	18.3
285.07297	0.9
286.04291	0.7
291.06433	0.7
294.05173	3.5
297.03958	3.2
298.04623	0.8
299.05493	1.0
299.09085	0.9
309.07535	24.6
310.07834	1.5
311.05411	3.0
312.06284	2.7
327.08582	100.0
328.05023	0.3
328.08923	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	327.0857
Annotation	Oblongixanthone A
Peak:m/z	Relative Intensity
59.04994	55.2
60.05309	0.8
70.74251	1.1
70.74621	1.1
89.15886	0.4
97.64429	0.5
98.98450	24.6
116.99469	1.0
134.61034	0.5
168.88661	0.5
170.73694	0.5
174.99167	4.3
201.05424	1.2
212.04657	1.2
213.05402	1.6
223.03856	1.2
227.03406	0.9
229.04897	0.6
240.04094	2.9
241.04927	8.2
244.03645	1.5
245.04446	0.7
251.00044	1.0
257.04428	10.0
266.05673	0.6
267.06534	1.1
269.04416	80.6
270.04755	4.0
271.02353	0.7
281.08127	0.7
285.04041	1.5
285.07520	24.8
286.07852	1.3
309.07541	2.0
327.08591	100.0
328.08929	6.6
332.73019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0855
Annotation	Toxyloxanthone B
Peak:m/z	Relative Intensity
53.93277	0.1
54.27653	0.1
55.01871	0.2
55.05503	0.7
57.03420	0.2
57.07068	0.9
58.63707	0.1
59.04991	0.3
62.35482	0.1
66.43383	0.1
67.01863	0.2
67.05499	0.8
68.99786	0.6
69.03418	0.2
69.07056	1.5
71.04958	0.3
71.79985	0.2
77.01583	0.2
79.05479	0.4
81.07047	1.2
83.05004	0.1
83.08610	0.3
85.06549	0.4
88.45811	0.1
91.01727	0.1
91.05473	0.3
93.07011	0.5
95.04984	0.2
95.08588	1.0
97.06528	0.2
98.98450	43.5
99.07935	0.1
101.02063	0.1
105.07004	0.3
107.08590	0.3
109.06522	0.2
109.10140	0.5
111.00843	0.1
111.11681	0.2
116.98712	0.2
116.99491	1.7
117.06960	0.1
117.77716	0.1
119.08550	0.3
121.10098	0.4
122.03643	0.1
123.04466	0.1
123.08005	0.3
123.11688	0.3
129.06990	0.6
133.06483	0.4
133.10101	0.2
135.11664	0.3
135.20230	0.1
137.05933	0.9
137.09671	0.1
137.13272	0.2
139.03883	0.2
139.11234	0.1
140.01077	0.3
141.07013	0.1
145.06499	0.3
145.10115	0.2
147.04367	0.2
147.08009	0.1
149.13232	0.2
150.02957	0.1
151.03833	0.1
151.11212	0.1
153.01778	0.9
155.08517	0.2
157.06474	0.2
157.10161	0.1
159.11630	0.1
160.05098	0.1
161.05984	0.2
161.09607	0.1
163.03851	0.2
165.06984	0.2
167.08540	0.2
169.06401	0.1
169.10117	0.1
171.06546	0.2
173.05965	0.4
174.99202	7.1
175.03932	0.3
175.99590	0.1
177.01837	0.2
179.08537	0.3
179.10562	0.2
183.04315	0.1
183.08092	0.3
185.05960	0.1
185.09583	0.2
187.03958	0.3
189.05463	0.2
191.07037	0.1
193.06485	0.1
193.12071	0.1
194.07227	0.3
195.08083	0.2
197.05978	0.4
197.09613	0.2
197.11516	0.2
201.05363	0.8
201.08902	0.1
203.03339	0.1
203.14389	0.1
207.08046	0.4
210.06769	0.2
211.03845	0.1
211.07516	0.4
211.13324	0.2
211.20837	0.1
213.05431	0.2
213.09143	0.1
215.03491	0.3
216.02139	0.1
216.04147	0.6
217.04919	0.5
221.05894	0.3
223.02361	0.4
225.09103	0.2
228.04141	0.4
229.04913	2.1
231.02855	0.4
234.06671	0.2
235.07487	1.5
237.05402	0.3
237.09109	0.2
238.06236	0.6
239.03333	0.5
239.07030	0.1
240.07782	0.2
241.04930	0.4
241.08624	0.2
242.05798	0.2
243.02823	0.3
243.06396	0.3
244.03583	0.4
245.04330	1.5
248.04689	0.1
249.09082	0.3
249.14783	0.2
251.00006	1.5
252.00308	0.1
252.04329	0.1
253.04886	0.3
253.08595	1.0
255.06470	0.1
256.03616	1.0
257.04425	5.4
257.07443	0.2
257.08282	0.2
258.04926	0.4
259.02359	0.3
259.13013	0.1
260.03137	1.1
261.03827	0.3
263.06958	1.4
264.07706	0.5
265.02002	0.1
265.05020	0.2
266.05692	5.1
267.06256	0.7
269.04398	6.5
270.04950	0.5
271.02356	0.3
271.05972	0.4
271.09717	0.3
272.03043	0.2
273.03876	3.7
274.04309	0.1
276.03836	0.1
277.08606	0.5
277.14178	0.2
279.06384	0.1
280.06995	0.3
281.08044	16.5
282.08371	0.9
283.05994	0.4
283.09567	0.2
284.03156	0.3
284.06873	0.1
285.03906	18.3
285.07300	1.0
286.04279	0.9
291.06436	0.6
292.07224	0.1
293.04590	0.2
294.05167	3.8
295.05847	0.5
295.09091	0.1
297.03906	3.3
297.27927	0.6
298.04575	0.7
299.05463	1.0
299.09125	0.7
308.06747	0.2
309.07529	24.1
309.17056	0.5
309.27670	0.2
310.07861	1.3
311.05438	3.2
312.06207	3.3
327.08569	100.0
327.57730	0.1
328.08917	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	326.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.5
64.58250	0.3
71.41597	0.7
72.87054	0.4
98.97568	4.5
98.98445	19.2
101.00867	1.0
116.98621	4.4
116.99422	0.7
119.01908	4.7
120.01959	0.4
134.99661	2.9
137.02954	1.9
153.00757	0.7
158.99892	0.5
174.99179	3.1
177.00929	10.1
178.00996	1.7
179.00685	0.7
182.99780	0.4
193.04121	0.4
201.00934	0.9
202.78549	0.3
217.04094	1.7
217.99016	0.8
219.01979	19.2
220.02077	3.3
221.01790	0.8
225.00824	2.2
234.99983	1.1
236.00052	5.2
236.99844	1.9
241.99020	0.6
243.01935	7.1
244.02151	0.9
251.00041	0.6
254.01103	1.2
258.99927	1.0
260.00089	7.4
261.00146	4.4
261.03030	100.0
262.00262	0.6
262.03137	12.3
262.99164	0.3
263.02945	1.4
265.99112	0.4
277.01099	1.9
278.01105	9.4
279.00812	5.0
279.98215	2.8
280.01062	0.8
283.00034	1.2
284.00079	19.5
284.04648	4.5
284.99780	8.7
285.04846	0.6
292.99756	0.5
297.99380	0.4
301.00998	2.1
302.01144	37.4
303.00882	16.0
303.04352	2.6
304.04413	0.4
320.02200	2.4
321.02042	0.5
325.02682	1.5
326.01154	1.8
327.01093	0.6
344.02213	12.8
345.01889	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	326.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14132	0.4
53.03924	0.7
55.01859	0.6
55.05505	6.5
57.03423	0.7
59.04983	1.8
61.02909	1.0
61.09607	0.4
69.03407	1.4
70.06554	0.5
71.60149	1.1
75.55661	0.4
81.03414	0.7
83.04957	6.9
85.02897	5.2
87.04449	0.7
97.02874	2.0
98.98451	100.0
101.06004	28.6
101.06532	0.5
102.06319	0.6
109.02868	0.6
111.04427	21.2
111.08083	0.9
112.04770	0.5
116.99457	3.1
117.70059	0.4
124.05036	0.6
127.03876	1.1
129.05457	42.2
129.09077	0.8
130.05824	0.7
139.01553	0.7
145.04935	1.3
146.60829	0.5
147.06502	63.9
148.06839	1.6
151.03882	1.8
151.20599	0.5
157.67056	0.6
163.03864	0.9
164.09148	2.4
174.99199	17.7
180.08638	3.2
194.10365	9.5
206.43742	0.4
250.99986	4.0
327.00665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02542	0.6
51.47805	0.5
53.03947	1.0
55.01846	0.8
55.05494	1.3
56.66954	0.6
57.03415	1.3
57.07052	0.7
59.04989	1.1
61.02901	1.7
67.05486	0.9
68.05025	0.8
69.03423	5.2
69.07053	1.3
70.06568	1.7
71.04996	1.2
71.77354	1.0
73.02892	1.3
79.05479	2.7
80.05000	1.9
81.03391	2.0
81.07031	2.2
82.06537	1.0
83.04955	0.7
83.08616	0.9
84.04499	9.7
84.08124	1.7
85.02892	35.2
86.03231	0.8
86.06050	5.8
87.04457	1.1
91.05459	2.9
93.07036	6.5
95.01276	1.0
95.04935	0.9
95.08594	2.1
96.08099	1.0
97.02903	4.3
97.06530	1.0
98.06052	3.3
99.04441	0.9
102.05533	9.1
105.07025	1.3
107.07019	0.9
107.08572	3.7
108.08099	32.1
109.02840	1.7
109.06530	0.8
109.08900	1.1
109.10171	0.9
110.09676	2.8
110.12469	0.6
112.04033	1.3
116.07077	1.5
119.08542	1.7
121.10153	1.1
122.09622	1.9
123.04370	1.0
123.10422	0.8
123.11697	0.8
124.11208	0.8
125.05988	0.8
127.03913	5.3
129.12772	0.7
130.04985	70.0
131.05301	1.0
133.10118	1.2
134.09651	1.1
135.11679	5.5
136.11186	0.9
137.05937	1.5
138.09142	0.9
142.05060	0.9
145.04919	5.6
147.09132	3.1
150.12767	12.0
150.37682	0.7
151.13506	2.3
152.14323	82.6
153.14661	3.8
154.15877	2.2
161.13191	0.7
163.06158	1.2
163.07529	3.1
164.07028	3.9
175.11185	0.6
178.15898	2.7
191.08154	5.5
192.13779	0.9
193.13434	0.8
196.16949	27.1
197.17303	1.1
235.18065	2.5
236.16354	1.3
237.00146	0.8
241.83620	0.8
247.91827	0.7
259.78247	0.7
261.19623	0.7
264.15936	13.1
265.16251	1.0
266.17380	1.0
281.18567	57.6
282.18976	4.6
293.08078	0.6
307.09213	0.7
307.12903	0.7
307.20050	1.8
308.11218	1.1
308.18536	5.1
325.10660	1.7
325.14056	4.1
325.21198	100.0
326.21558	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	325.1791
Annotation	Carexane I
Peak:m/z	Relative Intensity
53.03930	0.2
55.01848	0.2
55.05508	0.8
57.03415	0.2
60.75542	0.1
65.03921	0.5
67.01838	0.2
67.05493	5.3
69.03413	1.9
69.07039	0.3
69.59031	0.4
69.59457	0.8
70.16948	0.1
71.04974	0.3
71.67848	0.1
79.05478	0.9
81.07024	0.5
83.00864	0.3
83.01324	3.2
83.04972	1.0
83.08566	0.1
84.58986	0.1
85.06522	0.2
91.05463	1.0
93.03339	0.2
93.07037	0.6
95.04949	4.4
95.08584	0.3
97.06516	0.1
105.03374	2.1
105.04488	0.1
105.07011	2.5
107.04932	0.2
107.08580	1.3
109.06492	0.7
109.10143	0.1
111.04392	0.2
112.14970	0.1
113.05991	0.7
115.05453	0.3
117.06990	0.6
119.08558	0.4
121.06482	0.3
121.10100	0.3
123.04404	6.2
123.08023	0.3
128.06198	0.6
129.06960	0.6
130.23840	0.1
131.08563	0.6
133.06477	0.7
133.10107	1.7
135.08028	0.5
137.05968	0.4
141.05450	0.2
141.06963	0.4
142.07726	0.4
143.08534	5.5
144.09238	0.2
145.06454	0.4
145.10069	0.8
147.08011	0.1
149.05913	0.1
149.09595	0.2
152.06146	0.2
153.06967	0.3
154.07703	0.2
155.08525	1.2
156.09303	0.3
157.10123	0.9
159.08014	0.4
159.11665	1.2
161.05963	0.8
161.09526	0.2
162.06538	0.1
163.07512	0.4
163.11166	0.2
165.06940	0.9
166.07718	0.5
167.08542	1.2
168.09381	0.7
169.05185	0.1
169.06488	0.7
169.10112	1.4
171.07974	1.3
171.11638	1.0
172.08728	0.2
173.09590	2.8
173.10947	0.2
175.11174	0.1
177.09055	0.4
178.07751	0.5
179.08524	3.5
180.09328	1.0
181.08618	0.2
181.10085	2.3
182.10847	0.5
183.08076	0.3
183.11641	1.6
185.09592	0.5
185.13222	2.6
187.07547	0.2
189.06914	0.2
189.08867	0.2
191.06985	1.0
191.08534	0.5
191.10683	0.2
192.07744	0.2
192.09299	0.3
193.08521	0.2
193.10104	1.6
194.10873	3.9
195.08020	1.5
195.11661	2.8
196.08717	0.2
196.12387	0.4
197.09526	0.4
197.13220	1.7
199.11137	0.5
202.07773	0.2
203.08519	0.6
203.10312	0.1
204.09328	1.1
205.08551	3.0
205.10146	0.8
206.08943	0.2
206.10834	1.4
207.08101	0.8
207.11668	1.1
208.08803	1.0
208.12418	0.5
209.09584	1.3
209.13211	12.4
210.13609	0.7
211.07521	0.2
211.11157	0.7
211.14682	0.3
213.09030	0.7
213.12683	0.5
215.08501	0.2
217.10086	0.5
218.10863	0.3
219.11708	3.4
220.12309	0.4
221.09691	1.0
221.13202	2.8
222.10365	5.6
222.13896	0.4
223.07535	0.3
223.11148	3.6
223.14642	1.1
224.11812	0.3
225.09050	0.4
225.12691	0.4
227.10609	0.3
227.14250	0.5
229.08482	0.2
231.11732	1.8
232.08751	0.4
232.12386	0.9
233.09549	0.2
233.13222	0.9
234.10333	0.6
234.13885	0.2
235.07442	0.4
235.11105	1.8
235.14767	1.0
236.08250	0.1
236.11966	0.7
236.15512	1.4
237.12695	19.0
237.16113	1.0
238.13065	0.9
239.10652	0.3
239.18105	0.2
240.11372	0.2
241.12158	0.7
241.15819	0.4
245.13420	0.2
246.13969	2.1
247.11050	0.8
247.14812	1.2
248.11816	0.2
249.09070	0.4
249.12692	5.5
249.16525	0.2
250.09875	1.6
250.13432	1.0
251.10626	0.5
251.17902	24.2
252.18208	1.1
253.12228	0.4
255.10106	0.1
255.13730	1.1
256.12479	0.2
259.11133	0.8
260.12183	0.1
261.13098	0.2
261.16327	3.4
262.09775	0.3
262.16577	0.2
263.10648	0.4
263.14230	0.6
264.11783	0.2
264.15042	4.8
265.12192	18.5
265.15475	0.9
266.12695	1.1
267.13855	0.2
268.10852	0.1
269.11731	0.5
269.15176	0.2
271.14786	0.3
273.12778	0.2
274.13412	0.7
275.14169	0.2
277.12192	5.2
278.12680	0.4
279.17377	9.7
280.17697	0.5
281.11505	0.2
282.16028	0.3
283.13275	3.7
283.16809	0.6
284.13516	0.1
289.12366	0.2
289.15817	2.8
290.16275	0.1
291.13733	2.5
292.14493	5.5
293.14755	0.3
295.13266	0.2
297.18423	1.5
301.14560	0.1
307.16858	47.8
308.17175	2.4
310.15451	0.3
312.47827	0.1
325.17908	100.0
326.18277	5.8
326.22260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1792
Annotation	Carexane I
Peak:m/z	Relative Intensity
52.12120	0.1
53.03936	0.1
53.53813	0.1
55.01852	0.2
55.05498	1.0
57.03411	0.3
57.07053	0.3
59.05000	0.1
65.03923	0.6
67.05495	4.9
69.03419	2.1
69.07040	0.3
71.04971	0.3
73.64009	0.1
74.06306	0.1
79.05482	0.9
80.21377	0.1
81.07043	0.6
83.01328	5.5
83.04961	1.0
83.08614	0.2
85.02903	0.1
85.06512	0.3
91.04899	0.1
91.05460	1.6
93.03359	0.1
93.07024	1.2
95.04953	4.2
95.08594	0.8
95.99715	0.1
96.05328	0.1
97.06499	0.3
98.21416	0.2
105.03374	2.2
105.04448	0.1
105.07015	3.5
107.04934	0.3
107.07904	0.1
107.08576	2.1
109.06501	0.7
109.10121	0.4
111.04399	0.1
113.06004	0.7
115.05424	0.5
117.07001	0.6
119.04937	0.2
119.08543	0.9
121.06495	0.8
121.10113	0.5
123.04409	5.4
123.08057	0.6
124.04755	0.1
125.06005	0.1
128.06181	0.7
129.06993	0.8
130.07715	0.3
131.08554	1.0
133.06488	0.7
133.10098	2.9
135.08023	0.6
137.05980	0.6
139.04034	0.1
139.07481	0.2
141.05449	0.3
141.06963	0.4
142.07793	0.5
143.08534	4.6
144.09250	0.3
145.06448	0.4
145.10126	1.2
147.04379	0.1
147.08009	0.2
149.05916	0.3
149.09645	0.5
151.07515	0.3
152.06160	0.1
153.06958	0.4
154.07692	0.2
155.08516	1.0
156.09207	0.2
157.06456	0.3
157.10110	1.1
158.07257	0.1
159.08034	0.7
159.11661	1.4
161.05946	0.7
161.09587	0.3
162.06718	0.3
163.07544	0.8
163.11180	0.2
165.06940	1.0
166.07761	0.4
167.08501	1.3
168.09274	0.6
169.06448	0.5
169.10129	1.0
170.10728	0.1
171.08035	1.5
171.11646	1.0
173.09583	2.9
173.13213	0.1
175.07509	0.3
175.11127	0.2
177.05508	0.2
177.09061	0.9
178.07797	0.4
179.07047	0.2
179.08508	3.4
180.09290	0.9
181.08565	0.2
181.10071	2.4
182.10893	0.5
183.07974	0.3
183.11667	1.6
184.12135	0.1
185.09576	0.5
185.13243	2.1
187.07530	0.4
187.11075	0.1
189.07140	0.2
189.09070	0.5
190.07722	0.1
191.06995	1.6
191.08577	0.4
191.10643	0.3
192.07718	0.4
192.09299	0.3
193.08522	0.2
193.10100	1.2
194.10873	3.3
195.08040	1.3
195.11658	2.6
195.13486	0.1
196.08710	0.3
196.12405	0.4
197.09572	0.4
197.13237	1.5
198.06903	0.1
198.10342	0.2
199.07549	0.1
199.11221	0.6
199.14734	0.1
200.11812	0.2
201.09035	0.2
201.12630	0.1
202.07668	0.2
203.06956	0.6
203.08533	0.5
203.10590	0.3
204.07651	0.1
204.09358	1.1
205.08528	7.5
205.10112	0.7
206.08981	0.2
206.10834	1.1
207.08026	0.8
207.11646	1.1
208.08835	0.7
208.12440	0.6
209.09842	1.5
209.13217	10.8
210.10216	0.2
210.13667	0.4
211.07367	0.2
211.11148	0.8
211.14726	0.3
212.11830	0.2
213.09056	0.8
213.12625	0.7
215.08693	0.1
215.10617	0.1
216.09377	0.2
217.08374	0.5
217.10136	0.3
217.12016	0.1
218.10945	0.5
219.08109	0.2
219.10069	0.6
219.11780	3.0
220.08763	0.1
220.12311	0.4
221.09779	0.8
221.13185	2.9
222.10358	5.0
222.13893	0.3
223.07655	0.1
223.11147	3.3
223.14624	1.3
224.08115	0.1
224.11887	0.6
225.09024	0.6
225.12709	0.3
226.09851	0.5
226.13474	0.1
227.07018	0.1
227.10608	0.4
227.14278	0.4
229.08578	0.3
229.12373	0.2
231.09969	0.4
231.11879	1.7
232.08749	0.2
232.12486	0.6
233.09540	0.2
233.13332	0.8
234.10284	0.4
235.07475	0.4
235.11110	1.8
235.14745	0.9
236.08400	0.2
236.11934	0.8
236.15501	1.0
237.08897	0.5
237.12704	17.0
237.16096	0.9
238.10052	0.1
238.13162	0.7
239.10593	0.5
239.14217	0.2
240.11383	0.3
241.08528	0.3
241.10376	0.1
241.12193	1.3
241.15871	0.4
243.10150	0.2
245.11394	0.2
245.13431	0.2
246.13994	2.2
247.11145	0.9
247.14822	1.0
248.11873	0.2
248.15559	0.2
249.09108	0.2
249.12700	5.2
250.09846	1.7
250.13467	0.9
251.10843	0.7
251.14296	1.2
251.17905	22.1
252.11400	0.3
252.18225	0.9
253.12277	0.5
254.09305	0.3
254.13086	0.2
255.10068	0.2
255.13803	1.3
256.12527	0.2
259.11096	0.7
260.11893	0.2
261.16345	3.2
262.09839	0.4
262.16882	0.1
263.10724	0.5
263.14212	0.5
263.17783	0.1
264.11777	0.2
264.15045	5.4
265.12198	17.7
265.15601	1.1
266.12683	1.0
267.10345	0.2
267.13739	0.4
268.10919	0.2
269.08862	0.2
269.11667	2.4
269.15216	0.5
269.18796	0.2
270.12439	0.2
271.14737	0.3
273.12625	0.1
274.13406	0.8
275.14160	0.2
276.11426	0.3
277.12192	6.0
278.12775	0.4
279.14066	0.3
279.17389	9.3
280.17761	0.4
281.11700	0.4
281.15073	0.1
282.12411	0.3
282.16061	0.3
283.13223	3.5
283.16800	0.8
284.13535	0.1
289.15826	3.2
290.16226	0.2
291.13748	2.9
292.14520	6.3
293.14789	0.2
295.13382	0.5
297.14859	0.2
297.18414	1.9
298.18890	0.1
301.14426	0.1
307.16867	46.8
308.17194	2.3
310.15527	0.5
325.17911	100.0
326.18253	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	325.1429
Annotation	4-Hydroxycordoin
Peak:m/z	Relative Intensity
50.01573	0.3
51.02358	0.5
53.03938	2.6
54.04259	0.1
55.01859	0.2
55.26484	0.1
57.07057	0.1
67.05488	0.1
68.99780	0.1
69.07062	0.4
69.60030	0.5
69.60439	0.1
77.03895	0.6
79.05487	0.1
81.03386	0.4
81.07050	0.2
82.86425	0.1
83.01321	0.2
83.04967	0.1
91.05457	0.1
93.07039	0.1
95.04951	8.0
95.08598	0.1
96.05266	0.2
98.21513	0.1
105.03372	100.0
106.03699	2.3
107.08578	0.1
109.06532	0.1
109.10164	0.1
118.06519	0.2
119.08583	0.1
121.06488	0.1
121.10131	0.1
123.11691	0.1
131.08534	0.1
133.10042	0.1
135.11719	0.1
137.02324	0.1
157.10170	0.1
159.11685	0.2
161.09563	0.4
163.04030	0.1
165.05521	0.3
175.07545	0.1
175.11101	0.1
179.03342	0.6
187.11168	0.2
191.06956	0.1
197.04449	0.5
197.09602	0.1
199.07466	0.1
201.09119	0.1
203.07091	0.1
203.10655	0.2
205.08580	0.1
205.12267	0.1
209.13164	0.1
211.11189	0.1
213.09106	0.2
217.08543	0.1
219.10092	0.3
221.28528	0.1
225.09065	1.2
226.09517	0.1
227.10710	0.1
237.12741	0.1
241.08664	0.1
241.12221	0.1
251.17982	0.1
257.08102	0.9
265.12076	0.1
267.13736	0.1
269.08069	0.2
269.11728	0.3
269.15201	0.4
283.13446	0.1
283.16888	0.1
289.16882	0.1
297.22061	0.1
297.76016	0.1
307.16937	0.2
325.14313	14.9
325.17780	1.3
325.21646	1.4
326.14627	1.3
326.18338	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	325.164
Annotation	10-(3-Dimethylaminobutyl)-2-ethylphenothiazine
Peak:m/z	Relative Intensity
55.05494	3.7
57.03414	3.9
57.07069	30.9
59.04981	1.8
67.05492	13.0
68.99771	1.4
69.03402	6.0
69.07055	25.5
71.04985	12.6
79.05462	4.0
81.07030	7.6
83.01315	6.5
83.04961	4.2
83.08562	2.6
85.06093	1.6
85.06544	18.6
91.05445	4.1
93.07024	4.6
95.04927	3.9
95.08591	9.1
97.06494	3.2
97.10153	2.0
98.20656	3.1
105.06992	6.6
107.04932	3.3
107.08601	8.8
109.02878	1.5
109.06499	4.4
109.10120	7.5
113.05987	5.2
119.04900	1.7
119.08528	4.1
121.06467	6.7
121.10098	3.3
123.04411	2.2
123.08032	4.1
123.11677	2.6
124.12024	1.5
127.07481	4.5
129.06946	2.5
131.08499	3.6
133.06432	3.1
135.08041	14.2
135.11606	1.6
137.05945	3.2
137.09569	2.1
137.13217	2.2
139.03880	5.1
143.08464	1.8
145.10030	1.9
149.05934	1.8
149.09560	3.0
151.03831	1.7
151.07457	2.1
153.05450	12.6
153.09050	2.9
157.04929	2.3
159.08011	3.8
160.43620	1.4
161.05956	2.2
161.09595	2.4
163.03802	1.7
163.07510	7.1
163.11099	1.6
164.09865	1.6
167.06978	6.1
169.04964	3.6
173.09576	2.6
173.13254	1.7
175.07446	3.2
177.09106	9.6
179.03395	3.1
179.07071	7.2
179.08290	1.5
180.65625	1.6
181.04903	2.0
181.08586	9.0
183.02910	11.7
183.37923	1.4
187.11176	2.7
189.09064	5.6
191.07065	8.4
191.10635	3.6
193.08533	3.0
195.10173	3.7
197.04465	1.6
197.08075	16.7
201.09106	2.1
201.12712	2.4
203.06917	5.2
205.08545	11.5
205.12213	3.0
206.09241	1.6
207.06223	1.7
207.10075	6.7
209.08037	8.5
209.11559	1.8
213.09038	2.0
217.08470	4.5
218.09288	2.8
219.10133	17.3
219.13658	3.9
221.08078	12.1
223.09688	14.8
225.07503	2.3
229.12111	6.3
229.14136	1.6
233.08107	2.6
235.09732	11.3
237.11076	12.9
239.09106	14.6
241.08536	3.2
241.10626	9.8
243.13776	3.8
247.13271	27.1
249.11259	2.9
255.09874	1.9
255.12273	6.0
256.10870	3.1
261.14825	3.6
265.11862	2.5
265.14346	28.4
271.13269	25.1
274.74677	1.5
279.15826	3.0
283.06058	2.7
289.14264	28.1
307.15161	17.2
325.06882	7.8
325.10449	5.2
325.16364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	4-Hydroxycordoin
Peak:m/z	Relative Intensity
50.01590	0.2
51.02362	0.4
53.00300	0.1
53.03945	2.2
55.01854	0.3
57.07060	0.2
65.03950	0.1
67.05492	0.2
67.19525	0.1
68.99789	0.1
69.07050	0.4
71.20918	0.1
77.03899	0.7
77.65704	0.1
79.05479	0.1
81.03415	0.4
81.07040	0.1
83.01327	0.3
83.04976	0.1
91.05450	0.1
93.07057	0.1
95.04959	8.4
95.08595	0.1
96.05300	0.2
105.03382	100.0
105.18871	0.1
106.03709	2.6
107.08561	0.1
109.06506	0.1
118.06528	0.2
121.10135	0.1
123.04459	0.1
133.10190	0.1
139.03882	0.1
141.01855	0.1
143.08553	0.1
147.04407	0.1
147.11720	0.1
149.02328	0.1
151.03912	0.2
161.09624	0.5
165.05495	0.4
166.05850	0.1
167.03387	0.1
169.04947	0.1
179.03386	1.6
179.08588	0.1
180.03714	0.1
187.11115	0.1
197.04431	1.2
203.10698	0.1
205.05038	0.1
205.08618	0.1
209.13184	0.1
213.09142	0.2
213.12744	0.1
219.10197	0.3
225.09105	0.9
225.12619	0.1
237.12766	0.2
247.09624	0.2
251.17900	0.2
257.08038	1.9
258.08588	0.1
265.12198	0.2
269.08109	0.3
270.08487	0.1
271.13116	0.1
283.13354	0.1
289.14264	0.1
303.28683	0.1
307.16989	0.5
308.71042	0.1
325.14334	14.8
325.17841	1.3
326.14676	1.4
326.18405	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	325.143
Annotation	4-Hydroxycordoin
Peak:m/z	Relative Intensity
50.01575	0.3
51.02357	0.3
51.18618	0.0
53.00282	0.1
53.03938	1.9
55.01864	0.3
56.16749	0.0
62.43291	0.0
67.05489	0.1
68.99763	0.1
69.07059	0.6
70.01052	0.1
70.01476	0.2
77.03897	1.0
77.04304	0.1
79.29310	0.0
81.03419	0.4
83.01329	0.2
83.04978	0.1
91.05461	0.1
95.04955	8.3
95.08630	0.1
96.05286	0.1
98.20771	0.1
105.03376	100.0
106.03699	2.4
107.08560	0.1
118.06512	0.2
121.06584	0.1
123.04472	0.1
128.06209	0.1
133.10143	0.1
137.02313	0.1
141.01826	0.2
143.08591	0.1
150.39680	0.0
151.03905	0.3
151.11194	0.1
155.08522	0.1
161.09584	0.4
165.05499	0.3
175.07475	0.0
179.03363	2.8
180.03708	0.1
187.11151	0.1
191.03514	0.1
197.04419	1.7
197.09653	0.1
198.04800	0.1
203.10730	0.1
210.06821	0.0
211.07715	0.1
213.09171	0.1
219.10110	0.3
225.09077	1.1
226.09590	0.1
227.10782	0.1
237.12737	0.0
241.15884	0.1
247.09583	0.1
251.17940	0.1
257.08051	2.9
258.08444	0.1
269.08127	0.2
269.15408	0.2
273.51642	0.0
307.16934	0.1
325.14297	13.8
325.21802	0.4
326.14633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03933	1.1
57.03426	4.1
58.09402	0.8
59.96469	0.7
61.02905	2.8
69.03421	8.0
69.51598	7.4
70.01301	0.7
71.01336	1.7
71.04973	2.1
73.02899	1.6
75.04424	0.7
81.03411	1.1
85.02892	2.6
89.61208	0.8
99.04445	1.7
108.08115	1.6
112.04027	0.7
114.35514	0.6
116.97540	0.8
118.06537	1.4
120.08068	1.3
121.02849	0.9
130.05005	2.9
132.06880	0.9
145.07581	7.6
147.09154	94.0
148.09464	2.9
150.12729	0.9
151.03897	1.0
152.14342	3.8
159.09163	4.0
160.09897	0.8
163.03778	1.1
171.97942	0.7
173.07043	0.7
173.10686	0.8
188.61951	0.7
191.08133	95.1
192.08444	3.3
196.16853	1.0
263.13943	2.3
281.14948	46.3
281.18314	2.9
282.15295	3.0
307.12839	8.1
325.13904	100.0
325.21240	3.0
326.14178	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	325.139
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03928	0.4
55.01856	0.4
55.05494	0.3
56.96550	3.0
57.03411	1.0
61.02905	1.2
63.53066	0.2
65.03907	0.4
67.05480	0.3
67.12923	0.3
69.03413	2.8
70.06577	0.6
70.51186	0.5
70.51556	0.6
70.54918	0.3
71.04977	0.4
72.08122	0.3
73.02888	1.1
81.03385	0.9
83.04945	0.5
84.08138	0.5
84.96017	0.3
85.02402	0.5
85.02893	7.0
86.03207	0.4
86.15017	0.3
87.04440	0.7
88.31384	0.3
89.03912	0.7
91.03928	0.3
91.05437	0.9
95.04945	0.6
97.02866	2.9
98.97559	1.6
99.04423	0.5
101.05996	0.4
102.96858	0.4
109.02864	0.8
110.07137	0.4
110.97495	0.5
111.04431	0.7
115.03884	0.3
116.98608	1.7
117.03349	0.8
117.05776	0.4
118.06524	3.0
119.01865	0.5
119.04914	1.0
120.97908	0.4
123.04401	1.4
127.03905	2.7
127.04812	0.4
128.04205	0.4
128.98593	0.7
129.05435	0.6
133.07578	4.2
134.05959	0.3
134.99617	1.0
135.04414	1.4
143.00108	0.7
145.02826	1.0
145.05247	2.0
145.07582	100.0
146.06090	0.5
146.07939	3.2
146.99582	0.5
147.04401	3.2
147.06500	0.3
149.01193	0.4
151.03923	0.4
153.05385	0.3
158.99609	0.5
161.01202	0.9
163.03857	6.4
163.04980	1.1
163.08640	56.5
164.04178	0.8
164.07034	0.3
164.09128	2.0
170.99666	0.5
173.01314	0.3
175.02727	0.4
177.00670	0.8
182.03862	0.6
186.99142	0.4
187.02754	0.4
189.00598	0.6
194.10309	1.0
197.97939	0.3
201.00729	0.6
203.02264	0.3
213.00658	0.3
219.01753	0.8
235.06442	0.4
237.02747	1.6
244.07097	0.8
245.06946	0.5
249.02718	0.5
292.66196	0.3
325.13892	84.1
326.14301	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	325.1067
Annotation	Moracin L
Peak:m/z	Relative Intensity
51.79352	0.2
67.50812	0.2
68.99799	0.5
69.07050	1.0
70.42579	1.0
91.05467	0.3
103.06515	0.3
105.03360	0.2
123.32465	0.3
123.51558	0.3
137.05956	0.5
153.01808	1.4
158.07208	0.3
199.07599	0.4
212.04654	0.5
213.05435	0.8
219.08176	0.2
221.05705	0.2
224.04788	0.3
225.05528	0.3
229.04939	0.9
237.05458	0.8
240.04109	0.9
241.04910	3.5
243.06477	1.0
244.03606	0.3
250.06232	0.4
251.06976	0.4
251.17874	0.3
252.04074	1.1
253.04875	0.8
254.05673	0.3
255.02882	1.2
255.06465	0.7
256.03622	0.8
257.04428	1.9
257.08255	0.3
263.07190	0.3
264.07715	1.0
265.08588	0.2
266.05737	1.0
267.06522	7.4
268.03668	0.4
268.06897	0.5
269.04443	4.1
270.04965	0.6
271.05978	7.1
272.06268	0.3
276.07935	0.4
277.04922	2.4
278.05603	0.6
279.06522	2.4
280.07324	1.2
281.04431	1.7
281.08023	2.6
282.05161	0.8
282.08731	0.9
283.05997	2.5
283.09213	0.5
284.06586	0.3
291.06506	6.3
292.07242	8.3
293.08008	4.5
294.05234	1.1
294.08813	1.1
295.05984	18.3
296.06580	2.0
297.07489	0.8
297.10965	0.5
307.09622	20.4
308.06683	0.7
308.09933	1.0
309.07535	13.1
310.08304	13.5
311.08652	0.3
312.06265	0.8
323.09164	1.1
325.10663	100.0
326.10992	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1065
Annotation	Moracin L
Peak:m/z	Relative Intensity
55.05501	0.4
57.03423	0.4
57.07051	1.4
60.02527	0.3
65.94779	0.3
67.05481	1.3
68.99790	0.6
69.03410	0.3
69.07069	2.1
69.49554	3.5
79.05459	0.8
81.03381	0.5
81.07034	1.1
83.08563	0.4
85.02867	0.7
86.09678	0.7
91.05451	0.9
93.07017	1.0
95.04929	0.6
95.08578	1.4
97.06470	0.4
105.07009	1.4
107.08568	0.7
109.10144	0.8
117.07017	0.5
119.08571	0.5
119.95919	0.3
121.10146	0.4
123.08025	0.6
129.07001	0.6
131.08563	0.5
133.10127	0.6
135.08011	0.4
135.11644	0.3
145.06622	0.4
145.10078	0.5
147.11707	0.8
148.40495	0.3
153.01826	1.3
157.06456	0.6
159.11690	0.5
160.85355	0.3
163.03912	0.9
163.11043	0.4
185.13150	0.4
195.07999	0.4
199.07484	0.3
203.17941	0.5
204.18324	0.6
209.06010	0.4
209.13202	0.4
213.05521	0.9
219.11571	0.4
229.04839	0.6
237.05405	0.5
237.12729	0.5
240.04170	0.8
241.04900	2.7
243.06470	1.3
244.03612	0.5
249.12563	0.4
250.06255	0.7
251.06932	0.8
251.17912	0.7
252.04124	1.3
253.04871	1.1
254.05682	0.4
255.02820	1.1
255.06586	0.5
257.04465	2.5
264.07776	1.1
265.05023	0.4
266.05695	0.8
267.06488	7.6
269.04422	4.4
270.04999	0.5
271.05954	6.6
276.07687	0.8
277.05008	2.6
278.05597	0.4
279.06522	2.3
279.17273	0.5
280.07257	1.3
281.04477	1.2
281.08054	3.0
282.05164	1.2
282.08670	1.0
283.05954	3.2
283.09195	0.6
291.06497	6.9
292.07236	7.7
293.07956	4.3
294.05170	1.5
294.08774	1.3
295.05981	20.5
296.06561	1.3
297.07599	1.6
297.10959	0.4
307.09610	20.7
307.16858	1.4
308.06613	0.8
308.09933	1.4
309.07541	12.8
310.08307	13.4
311.08688	0.5
312.06152	0.6
323.09116	1.3
325.07227	6.0
325.10651	100.0
325.17798	3.7
326.07474	0.4
326.10992	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	324.1952
Annotation	CW 69D
Peak:m/z	Relative Intensity
53.03919	0.3
66.01520	0.3
68.51643	0.3
69.07046	0.5
70.47649	0.8
70.48044	0.7
79.05483	14.5
81.07048	0.4
86.83114	0.3
91.05460	0.9
93.07027	1.5
95.04951	0.9
95.08595	0.5
103.05451	29.0
105.07008	2.8
107.04937	17.1
107.05539	0.2
107.08561	0.8
109.10133	0.6
118.06519	3.8
119.08537	0.5
121.06490	1.1
123.11609	0.3
131.04906	11.9
131.05891	0.7
132.08078	1.2
133.08832	1.1
133.10170	0.4
134.09714	0.3
135.30879	0.3
146.09579	1.6
147.11642	0.9
148.98285	0.3
149.06041	0.6
160.11145	0.4
167.07033	0.5
176.14319	41.1
177.14647	0.8
203.17976	1.0
283.06232	0.7
324.19534	100.0
325.07095	2.7
325.20010	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	324.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.05488	6.6
57.03426	25.8
61.02910	4.0
61.10278	2.4
67.05490	19.4
69.03414	12.4
69.07061	11.9
70.06571	3.8
71.04966	5.5
71.79352	3.2
75.04466	6.0
81.03382	9.5
81.07026	6.9
83.08607	11.9
84.04522	2.3
85.02890	37.5
91.05434	3.5
93.07035	3.0
97.02869	7.6
99.04427	3.5
99.16671	1.9
107.08591	2.3
109.02862	2.9
109.10141	100.0
110.10445	2.7
123.04417	2.6
127.03867	7.1
127.11177	57.7
142.62390	1.8
144.08051	8.9
145.04933	5.1
145.07602	3.4
145.12206	19.4
147.09151	2.6
152.07007	2.1
173.07089	5.0
175.08711	4.3
180.64551	1.8
191.08147	36.9
204.10075	3.1
217.08559	3.2
220.80534	2.0
243.10214	2.5
260.12735	2.1
265.08609	2.2
306.13318	19.3
306.16513	3.4
307.12823	13.3
324.18033	3.5
325.06976	6.4
325.10461	3.3
325.13928	12.0
325.17117	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	324.2165
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.93538	0.5
55.01860	1.5
55.05496	3.1
57.03424	0.7
57.07067	1.9
62.22690	0.6
67.05491	6.1
69.03421	1.3
69.07062	9.5
70.91293	2.0
71.04961	1.2
79.05488	5.0
80.05797	0.7
80.31469	0.6
81.03420	0.7
81.07052	8.2
83.04968	4.3
83.08618	1.1
85.06559	0.9
86.09698	100.0
87.10032	1.9
91.05475	11.1
93.07036	13.3
95.04974	4.2
95.08588	5.5
97.06517	1.4
97.10175	1.4
105.03404	1.0
105.07022	16.6
107.04934	1.7
107.08585	6.8
109.06504	9.2
109.07198	0.7
109.10154	3.5
111.08083	4.3
115.05459	0.6
117.06987	1.6
119.08572	6.5
121.06513	1.3
121.10127	2.4
123.08093	1.9
123.11725	0.9
125.09676	1.2
128.10698	4.8
129.07002	1.2
131.08546	5.0
132.10193	30.1
133.06493	1.8
133.10098	17.6
134.10468	1.3
135.08037	1.2
135.11697	1.0
136.12051	0.8
137.05952	0.7
143.08563	0.7
145.10074	1.6
147.08072	0.8
147.11673	14.9
148.12097	1.0
149.09625	1.9
149.13303	1.5
151.07561	3.3
151.11166	44.7
152.11549	2.1
156.10162	1.1
157.10184	1.1
161.13197	1.0
163.07591	0.7
165.12787	1.1
171.08057	0.7
173.09659	0.7
175.11169	5.0
189.11201	0.6
191.10735	0.7
193.12206	4.7
203.17984	3.2
210.14873	0.7
222.14981	0.7
223.09627	1.3
235.14790	0.6
237.12781	0.8
260.20096	6.9
261.20596	0.9
271.16937	0.8
278.21133	31.0
279.21524	2.5
280.61401	0.6
282.05222	0.9
283.06351	0.9
289.18112	2.5
297.07544	1.4
306.20667	6.9
307.16855	1.4
324.09329	0.8
324.17340	1.3
324.21716	23.9
325.07071	14.3
325.10837	1.3
325.17801	5.1
325.21945	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	324.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
54.98183	0.5
55.01853	0.7
57.03427	4.4
61.02915	2.6
67.05486	0.9
69.03423	9.1
69.47348	0.5
70.06588	1.0
70.07742	3.1
70.37903	0.4
71.01338	1.5
71.04979	3.5
73.02904	1.5
75.04459	0.9
81.07035	2.0
85.02892	1.4
85.06531	2.1
98.21338	0.9
99.04449	4.4
99.08071	2.1
109.06496	1.5
115.07542	1.5
117.05473	1.0
118.06544	0.7
121.02868	2.0
127.07542	12.4
131.51550	0.4
145.07573	1.5
145.08582	5.0
147.09151	1.0
162.05534	1.8
163.03880	1.9
163.08627	1.2
172.08684	14.2
173.07050	1.6
175.07294	0.9
175.08734	2.5
190.09731	52.3
191.08138	27.8
191.09923	1.6
192.08459	1.3
205.04979	1.4
214.09703	0.7
232.10814	0.7
271.06027	0.7
293.40247	0.5
306.14420	1.3
307.12863	13.2
308.13242	0.7
324.15494	100.0
325.12866	0.6
325.15875	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05484	0.4
56.05029	1.9
57.03423	0.3
57.90284	0.3
65.68089	0.4
67.05467	0.7
68.05019	4.1
69.03399	0.5
70.06580	2.3
70.17073	0.3
71.04964	0.6
71.12025	0.4
71.12360	0.6
74.02428	0.5
79.05480	0.4
81.03395	0.6
81.07055	0.6
82.06558	0.9
85.02877	0.7
90.64269	0.3
91.05492	0.4
96.08108	0.8
97.08425	0.4
105.07001	0.5
107.08617	0.4
109.06485	0.6
114.05518	5.5
115.75010	0.3
116.24135	0.3
119.08609	0.5
123.04337	0.4
124.07582	3.9
125.07905	3.0
127.03895	0.4
127.11200	0.6
129.06941	0.4
131.04897	0.4
133.10097	0.5
133.23727	0.3
135.08044	0.4
137.05934	0.8
143.08508	0.4
145.12175	0.5
147.08014	0.8
157.06468	0.4
159.08018	0.5
161.05930	1.0
161.09570	0.5
163.07509	6.8
165.07187	0.4
169.09914	0.3
171.07980	2.7
171.11513	0.4
173.05959	0.7
175.07573	1.7
175.72913	0.3
179.07040	1.6
179.08463	0.5
181.10146	1.0
183.11620	0.6
185.06010	0.5
185.09557	0.7
187.07497	2.3
189.09114	1.3
191.06923	10.2
192.07391	0.6
193.08577	1.0
195.69644	0.3
197.09648	2.7
199.07521	7.8
199.11151	1.1
200.07823	0.4
201.09102	1.1
202.06654	0.6
202.08548	2.8
203.06999	1.4
205.08575	17.1
206.08940	1.1
209.09607	2.1
211.68832	0.4
213.09120	0.7
215.10634	2.8
217.08578	22.4
217.12144	1.0
218.08931	1.2
219.10149	1.4
224.10616	0.4
225.09058	0.8
226.12196	1.6
227.10582	2.4
233.11681	0.4
235.04358	0.4
242.11784	1.2
243.10124	0.9
244.13319	4.0
245.11723	4.9
245.13971	0.5
260.12787	12.7
261.11115	1.0
261.13412	0.7
262.14328	2.5
288.12247	0.7
306.13318	100.0
307.13611	9.6
324.05746	0.5
324.08957	1.3
324.14355	6.9
325.12894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82756	0.4
55.01860	1.0
55.05499	1.0
56.05027	0.9
57.03409	0.5
57.07056	0.8
63.74609	0.4
67.01395	0.4
67.05474	0.6
68.05004	0.5
69.03427	1.0
69.07048	0.9
70.06591	0.7
70.07406	0.5
70.12339	1.8
70.12741	0.5
71.04967	1.0
74.02424	1.0
79.05478	0.7
81.03416	0.6
81.07031	1.0
83.04984	0.5
83.08591	0.8
84.52434	0.4
85.02930	2.0
85.03368	0.4
86.09718	0.4
89.06004	1.0
91.05461	0.5
93.03382	1.2
93.07035	1.0
94.54356	0.4
94.82642	0.4
95.04959	0.7
95.08614	0.4
96.90303	0.4
102.89103	0.5
105.07014	0.5
107.04934	0.7
107.07072	0.6
107.08576	0.6
109.02791	0.4
109.06493	1.1
109.10152	1.1
114.05489	1.4
117.06994	0.5
119.08533	0.7
121.02882	1.0
121.06546	0.5
121.90642	0.4
124.07543	1.2
127.03937	0.6
127.11147	1.0
131.04892	0.7
131.08530	0.8
135.04340	0.5
136.07571	0.5
137.05934	0.5
141.07004	0.4
143.08492	0.9
145.04872	0.6
145.06493	1.0
145.10106	0.5
145.12209	2.0
147.04395	0.6
149.05881	0.5
151.07529	0.6
155.08369	0.4
159.04366	0.6
159.08034	1.9
159.11656	0.8
160.05203	0.4
161.05954	1.8
161.09531	0.5
163.07541	1.4
163.13286	1.0
164.07066	1.3
165.07355	1.6
169.10112	1.0
171.08017	1.0
173.05977	2.7
175.07512	1.5
177.05441	1.0
177.09164	0.5
179.08614	1.1
182.08139	1.0
183.08438	0.7
187.07530	4.7
187.11143	1.5
189.09143	1.1
191.07010	1.9
191.10623	0.6
193.08611	1.5
195.06505	2.3
197.09534	2.6
197.88287	0.4
199.07529	2.1
201.05472	0.5
201.09116	0.9
203.07001	1.0
205.08636	3.3
213.09117	0.8
214.06219	0.5
215.10648	4.0
217.08600	10.1
218.09015	0.7
219.10013	0.5
222.97456	0.4
225.09079	1.6
227.10712	0.6
229.08615	3.9
233.11722	5.2
235.09746	0.4
242.11771	1.3
243.10152	16.7
244.10478	0.7
244.13390	0.8
245.11787	0.9
253.08322	0.5
260.12814	17.4
261.11176	1.6
261.13477	0.8
271.09662	1.1
288.15704	0.4
289.10565	1.8
290.85104	0.4
306.13321	100.0
307.13666	6.9
324.05685	0.6
324.09256	1.1
324.14487	4.3
325.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1847
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.30531	0.1
52.44279	0.1
53.03935	0.3
55.01865	0.4
55.05506	0.3
57.07062	0.4
62.55640	0.1
65.03932	0.3
67.05489	0.7
69.03425	0.2
69.07041	0.4
79.05480	0.9
81.03419	0.8
81.07043	3.9
83.01339	0.5
91.05457	1.1
93.07028	0.7
95.04948	0.4
95.08581	0.9
105.06995	0.6
107.08582	1.1
109.02869	1.5
109.06496	4.2
109.10144	1.0
119.04903	0.4
119.08585	0.2
121.10136	0.2
123.04332	0.1
123.11686	14.7
124.12029	0.4
125.06026	0.2
127.03902	2.0
127.29749	0.1
133.10104	0.2
135.08041	0.2
135.11665	2.6
137.05951	6.8
138.06340	0.1
139.03831	0.3
145.10129	0.2
147.04369	0.3
147.11649	0.4
150.21632	0.1
151.07532	0.3
153.05441	3.4
157.10089	0.1
157.78284	0.1
163.07529	0.5
165.05450	100.0
166.05779	2.7
167.06976	0.7
174.01628	0.1
179.06998	0.9
182.33310	0.1
183.06520	0.2
191.07018	0.2
193.08658	0.1
203.07048	0.1
205.08551	0.3
207.10068	0.1
213.09213	0.1
231.10149	0.4
244.23892	0.1
257.87881	0.2
267.13843	0.1
269.15298	0.9
287.16370	42.3
288.16739	2.5
305.17419	10.6
306.17871	0.6
323.18530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1074
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
52.59062	0.2
53.03935	0.2
54.24348	0.2
54.51383	0.2
57.03421	0.3
61.02908	0.4
67.05502	0.3
69.03410	1.1
69.75010	1.8
70.06570	0.7
71.04977	0.4
76.82362	0.2
79.05453	0.3
81.03423	0.6
81.07047	1.8
85.02876	0.9
85.06519	0.9
94.06549	0.3
97.02850	0.4
99.04482	0.3
99.08096	1.6
99.25718	0.3
100.92993	0.2
107.04879	0.3
109.06508	0.9
110.64612	0.2
115.07579	0.4
116.04956	0.5
120.04450	1.2
121.02863	0.9
127.07541	6.7
133.02789	0.3
144.04443	0.4
145.08603	2.8
162.05489	100.0
163.03905	0.8
163.05833	2.4
172.08690	1.3
175.03969	0.4
177.05388	0.4
179.03378	0.8
190.09752	4.5
191.08153	2.7
205.04958	1.1
259.06015	0.4
306.13895	0.2
307.12836	1.4
324.10550	1.5
324.15497	9.3
343.67377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01862	6.7
55.05505	31.6
57.03418	4.3
57.07063	10.4
59.04984	13.3
67.05495	27.1
69.03411	7.6
69.07064	68.3
70.53379	3.2
71.04988	35.9
71.80314	6.0
71.80685	3.6
79.05492	17.3
81.07042	29.2
83.04959	11.2
83.08605	13.7
85.06497	5.7
91.05473	18.2
93.07020	38.7
95.04950	19.5
95.08594	26.2
97.02884	8.0
97.06527	5.3
105.07011	35.7
107.04945	7.8
107.08569	58.7
109.06504	20.5
109.10133	40.3
111.04442	10.4
111.11717	9.1
113.05978	16.5
117.07027	8.1
119.08575	24.5
121.06509	6.3
121.10139	21.5
123.00769	14.9
123.04397	26.8
123.08046	6.2
123.11689	17.9
127.03819	4.1
131.08563	9.6
133.06483	12.2
133.10114	23.8
135.08026	8.6
135.11656	73.9
137.05975	20.2
137.09593	5.9
139.11176	6.3
141.05482	7.8
145.10104	9.3
147.08003	11.7
147.11627	22.2
149.05975	11.3
149.13264	4.6
151.07562	4.5
153.05440	5.6
157.04976	11.1
157.10126	12.1
160.11124	3.5
161.05930	28.8
163.07643	5.2
165.05432	16.6
165.12749	13.4
167.07031	15.5
169.10161	5.2
171.11665	6.2
173.09665	7.2
175.07524	11.0
175.11174	37.2
177.09088	5.7
179.07114	5.2
181.10165	6.6
183.06511	32.0
183.11710	4.8
185.09660	5.4
189.09088	4.8
189.12735	10.4
191.08521	5.4
193.10336	6.4
193.12231	25.4
199.07527	4.9
199.11131	12.6
202.07790	7.5
203.08525	10.8
211.11107	6.7
211.14775	4.7
213.09067	7.1
217.12221	27.0
219.08018	4.2
219.10022	5.0
220.08777	6.1
223.14937	6.3
225.09116	4.8
227.10719	16.9
227.14275	5.5
229.12141	6.5
231.07993	15.1
231.10229	17.0
235.11220	4.3
235.13152	22.2
239.10683	3.9
241.15753	5.6
245.11789	7.7
247.13411	9.0
248.08339	6.3
251.14360	7.2
253.10696	10.7
253.14319	6.1
259.07541	14.0
260.08218	10.0
263.10657	9.5
269.15335	47.5
270.15912	4.9
287.13153	7.5
287.16382	100.0
291.10168	32.8
293.08035	4.1
295.16910	4.8
305.17657	47.5
323.09116	6.9
323.12741	18.0
323.16370	34.5
323.19351	21.1
323.47534	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	323.1273
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.16278	0.4
55.05474	0.6
67.05482	0.9
69.07030	0.7
69.46119	0.4
76.32917	0.4
76.60506	0.4
79.05492	2.0
80.45586	0.4
81.07021	1.2
81.71496	0.4
91.05453	2.1
93.07020	1.2
94.04174	0.9
95.04942	0.9
95.08576	0.9
98.47842	0.4
103.05447	2.4
105.03324	0.5
105.07014	10.6
107.04932	0.7
107.08569	1.4
107.41924	0.4
109.06522	2.2
113.05978	0.5
115.05454	3.3
118.04192	0.5
119.08572	1.0
122.03606	1.8
128.06213	1.0
131.04898	1.2
131.08549	0.5
133.06459	6.5
133.10095	0.4
135.11656	1.8
137.05954	24.4
137.09605	0.4
139.05418	0.7
141.06921	0.7
143.06044	0.6
143.08513	0.6
144.05730	0.4
146.03632	4.3
147.04350	0.7
147.08008	0.5
149.05937	1.0
151.07497	0.5
156.05742	0.8
158.07455	0.5
159.08061	0.9
161.05956	65.0
162.06349	1.5
165.05472	0.5
165.06982	0.7
167.04874	1.5
169.06456	0.9
171.08023	1.1
175.07527	1.2
184.05202	1.7
185.05995	0.5
187.07524	0.6
189.06987	1.1
190.07738	0.7
191.08563	2.7
192.09320	2.0
199.07512	11.3
202.07738	16.3
203.08522	24.7
204.09137	2.0
205.06480	2.2
206.07256	0.6
209.09480	0.4
213.07028	0.8
215.08551	1.3
217.06427	0.7
218.07179	0.7
219.08026	8.9
219.09990	0.8
220.08803	9.2
221.09540	1.4
222.06685	0.4
229.06419	0.8
230.07234	3.5
231.08017	44.3
232.08745	8.6
233.06001	1.4
233.09514	1.1
234.10281	0.5
235.07524	1.2
235.11133	2.7
237.09079	1.2
241.06442	0.5
242.07234	0.9
245.09570	1.7
246.10307	0.4
247.07521	6.9
248.08279	21.0
249.08888	3.1
258.06726	3.4
259.07520	33.8
260.08289	22.5
261.05771	0.5
261.08856	3.1
262.09741	2.2
263.10638	18.2
265.08551	2.5
273.09134	1.3
274.09918	0.4
275.07031	4.7
276.07770	17.0
277.08466	3.9
279.28601	0.5
280.58981	0.4
281.11682	0.4
290.09259	0.7
291.10110	100.0
292.10718	9.3
293.08130	3.6
294.40030	0.5
295.13287	1.5
305.10983	0.4
308.10379	4.0
309.14761	0.8
323.12741	67.8
323.16092	2.9
323.31348	0.7
324.13232	4.3
324.17007	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05502	0.7
61.13745	0.5
62.05177	0.6
62.08941	0.6
67.05495	0.5
69.03417	1.6
69.07076	0.8
69.90354	3.7
70.06573	0.8
71.04962	0.5
79.05476	1.0
81.03398	0.6
81.07040	0.7
83.06109	4.2
84.04472	1.4
84.08114	1.5
85.02886	2.1
85.06538	4.5
86.09719	0.8
87.13258	0.5
89.03908	4.9
91.05450	1.7
93.07021	0.6
97.02865	1.9
101.07121	1.9
103.64816	0.5
105.07004	1.3
107.08575	1.5
109.06532	0.7
112.36199	0.5
113.05942	0.5
116.07082	0.8
117.03361	17.9
117.07019	0.8
119.04899	0.6
119.08576	0.8
123.08109	0.7
125.82127	0.5
127.07527	1.4
128.06203	1.3
129.06575	18.3
130.04999	1.2
133.02872	0.5
134.03593	1.6
135.04372	1.7
135.07986	1.0
137.05969	1.2
143.08501	1.0
145.02827	53.2
145.08621	3.5
145.09694	0.7
146.03145	1.6
147.07805	1.0
149.05972	6.1
153.07013	1.1
157.06465	1.0
161.02368	0.5
161.05931	1.9
161.07112	2.4
163.03891	1.1
163.07498	4.8
171.08015	2.9
173.05984	1.0
175.07515	2.2
177.05447	100.0
178.05705	3.9
179.03374	1.8
179.06995	8.2
179.08475	0.7
185.05910	1.3
186.05530	0.8
187.07401	0.8
189.09087	1.5
190.09778	1.3
191.06972	14.2
192.07330	0.5
193.20247	0.5
198.06700	1.5
199.07515	7.6
203.06949	0.7
213.09079	1.5
217.08572	2.5
221.06003	1.0
227.07001	5.9
229.08582	0.7
231.10141	2.2
239.07021	1.0
241.08682	1.4
245.08060	25.7
246.08388	1.3
249.05293	0.9
255.60278	0.5
257.07993	0.6
269.08057	2.0
275.09085	13.4
276.09558	0.7
287.09030	5.3
291.09979	0.6
295.06097	0.7
305.10129	4.3
323.05295	1.4
323.11163	13.6
323.15909	1.1
323.19662	0.7
324.11609	1.1
324.15479	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	323.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07977	2.9
71.79609	5.2
79.67132	3.1
98.77296	2.8
114.11570	2.9
119.01886	3.5
143.01898	15.2
155.01915	6.4
161.02933	26.0
173.02971	11.7
203.04048	8.5
263.05997	4.6
268.96606	2.9
299.94000	3.1
323.07367	100.0
323.11829	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	323.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12077	0.5
57.03415	0.5
67.05500	0.6
69.03409	1.0
69.07016	0.8
69.67031	0.6
70.06575	1.6
71.03126	1.1
71.03505	1.1
79.05476	0.7
81.07045	1.2
83.06087	4.6
84.04481	1.2
84.08124	2.1
85.02881	2.2
85.06514	1.4
86.09686	0.8
86.90200	0.5
89.03902	5.5
91.05470	2.3
93.07004	1.0
95.04955	0.7
97.02873	2.1
97.06510	0.6
99.08079	0.5
101.07105	2.0
102.15656	0.5
107.08571	1.2
109.06501	0.5
113.73099	0.5
116.07076	0.9
117.03364	18.1
119.08540	0.8
123.04455	0.8
124.38007	0.5
128.06192	2.1
128.20586	0.5
129.06578	18.8
130.04985	1.1
133.06468	1.0
134.03589	1.7
135.04411	1.4
137.05937	1.1
141.06993	0.9
143.08534	2.2
145.02826	52.9
145.08582	1.6
146.03127	0.8
147.04407	0.6
147.07710	1.6
149.05975	8.0
152.06078	0.6
153.06938	0.7
155.08484	0.5
157.06447	1.2
157.10147	0.6
161.05933	3.2
161.07126	1.4
161.09612	0.7
163.03917	0.6
163.07529	6.5
165.06963	0.8
169.07619	0.5
171.08009	3.2
173.05954	0.8
175.07491	1.8
177.05446	100.0
178.05794	2.4
179.07007	10.3
181.06374	0.6
185.05956	1.7
185.09642	0.7
186.05391	0.9
187.07474	1.0
189.09129	1.4
190.09727	0.8
191.06975	18.6
198.06694	2.5
199.07504	11.1
201.05371	1.0
203.07008	1.7
205.08577	0.8
213.09067	2.4
217.08583	4.1
223.07532	0.8
227.06996	8.0
229.08549	1.1
231.10132	2.3
239.07037	0.8
241.08656	1.3
245.08055	30.9
246.08397	0.9
257.08115	0.8
259.09534	1.4
269.08099	2.3
275.09103	16.6
276.09546	0.6
277.05048	0.5
287.09100	6.6
305.10077	5.3
315.32581	0.6
323.05365	1.6
323.11179	14.3
324.11368	0.8
324.15509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05504	8.4
60.04501	4.7
67.05507	18.3
69.03416	20.5
69.07040	12.6
70.06586	3.4
71.04972	14.0
71.81628	5.0
72.08134	4.3
79.05471	9.3
80.65472	3.5
81.03413	3.5
81.07041	31.6
83.04983	22.1
84.08138	33.0
85.02921	3.7
85.06522	10.3
91.05456	12.7
92.12783	2.8
93.07032	38.9
95.04955	25.4
95.08591	33.0
97.06510	14.8
99.04433	5.8
105.07005	23.7
107.04950	3.4
107.08571	22.9
109.02786	3.0
109.06490	45.9
109.10088	3.9
110.54637	2.8
111.04427	9.6
111.08057	8.0
113.05978	12.5
117.06995	6.3
119.05003	2.9
119.08540	14.9
121.06474	14.3
121.10130	10.2
123.04409	9.5
123.08035	15.2
124.07571	9.1
125.05984	5.1
127.07533	6.8
129.05493	4.9
131.04991	3.5
131.08525	5.6
133.06491	21.0
133.10101	5.8
135.08035	12.0
135.11656	10.8
137.05948	5.7
138.09125	4.1
139.03865	4.6
139.07524	9.0
141.05386	3.4
143.07004	8.8
145.10081	21.2
147.07976	3.6
147.11676	7.7
149.13275	5.8
150.09109	7.8
153.01794	4.5
155.07024	5.0
157.04944	3.5
157.08589	4.7
159.06496	11.6
159.11610	18.4
161.09641	4.0
163.11122	22.9
165.09091	6.6
169.08546	4.4
169.10045	4.3
173.08078	6.1
173.09572	4.6
175.07570	3.8
175.11139	3.7
177.05138	5.3
177.12767	11.9
181.12178	16.7
183.10153	11.7
187.11171	31.1
188.06856	3.6
189.04982	7.2
191.10634	4.1
193.08649	4.5
193.12131	4.0
195.13737	5.2
199.13197	7.8
205.12225	33.5
206.05133	4.1
217.04585	5.9
220.03148	7.3
223.13274	100.0
227.12592	7.8
232.85097	3.2
233.04155	9.6
233.11703	10.3
234.04811	7.5
234.14961	5.3
241.11922	2.5
241.14291	60.0
242.14587	5.4
245.13852	6.7
248.06471	4.3
251.12852	21.1
252.72212	3.5
255.08620	4.2
259.15335	4.7
261.03708	4.7
262.04462	27.3
262.14365	12.2
263.05014	66.4
264.05133	8.3
269.13800	43.5
273.03250	3.2
276.05801	12.5
277.06351	3.3
278.07391	25.5
280.15475	7.0
290.03836	6.5
304.05225	4.5
322.06357	61.6
322.16431	77.0
323.06207	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	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03054	1.0
53.03931	1.9
55.01854	4.6
55.05494	4.3
57.03423	4.4
59.47422	1.5
63.33254	1.0
67.05491	4.0
69.03429	8.7
69.07056	5.3
71.01357	1.2
71.79584	1.7
73.02874	1.3
79.05091	1.7
79.05492	21.0
81.07047	29.8
83.04951	3.5
85.02906	7.7
86.09679	3.1
91.05460	10.1
93.07021	4.2
94.34995	1.2
95.01323	7.8
95.04958	7.1
95.08586	1.8
96.32284	1.0
97.02873	1.8
97.06518	12.0
101.02375	1.5
103.05421	1.2
105.07034	3.0
107.04932	5.1
107.08569	3.6
109.02900	1.3
109.06512	21.1
111.04463	2.2
111.08051	2.5
113.02399	2.1
117.07001	4.2
119.04922	3.5
119.08569	6.4
121.06483	3.9
123.04404	3.1
123.08030	2.8
125.02204	1.3
125.05995	5.5
131.08589	3.3
133.06451	2.0
135.04405	1.8
135.08022	5.7
137.05965	7.4
137.09602	1.3
138.42714	1.2
139.03870	8.8
139.07538	2.3
141.01801	1.9
141.05426	1.9
145.06438	2.8
147.08038	9.2
149.05969	2.6
149.09608	1.8
151.03918	3.1
151.07518	1.6
153.05380	2.2
155.07037	3.3
161.05902	2.2
163.03954	2.4
163.07533	9.4
165.05545	1.5
165.09108	17.8
167.06955	2.0
167.78438	1.3
169.04926	1.3
171.27817	1.2
173.04463	1.7
173.05934	2.4
175.07498	4.6
178.91927	1.2
179.06985	1.5
181.08589	7.6
183.10152	3.6
191.07004	5.1
193.08600	18.9
197.04449	3.9
199.09622	14.8
201.03925	2.2
209.08107	8.4
211.09636	12.8
212.10213	1.3
219.06561	1.4
219.34087	1.0
222.51566	1.2
227.09122	11.5
237.07561	6.4
255.08627	100.0
256.08951	2.9
269.10153	2.3
273.09689	7.3
287.11093	3.9
291.22922	1.3
305.10162	6.3
322.15509	1.4
340.76797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
54.66622	1.0
55.01862	4.4
55.05504	4.0
57.03431	6.4
58.50496	0.9
67.01868	1.1
67.05494	5.9
69.03428	5.9
69.07066	5.7
70.02601	4.7
70.06580	2.2
71.04981	1.6
73.02902	1.0
79.05480	20.1
81.03397	2.7
81.07047	32.0
83.04961	4.1
84.08116	1.6
85.02905	8.4
86.09706	2.7
91.05465	10.1
93.07044	8.0
95.01315	10.2
95.04944	7.6
95.08617	2.3
96.29800	0.9
97.02875	2.1
97.06519	17.0
101.02352	1.2
103.03968	1.0
105.03297	0.9
105.07005	3.8
107.04945	6.4
107.08583	4.1
109.06506	21.7
109.10094	1.4
111.04401	4.9
111.08070	2.8
113.02370	1.8
117.07003	3.6
119.04919	4.4
119.08569	9.1
121.02844	1.1
121.06475	3.2
123.04422	4.0
123.08028	2.8
125.05972	5.1
129.06973	2.0
131.08531	4.1
133.02917	1.6
135.04344	1.9
135.08029	5.1
137.02373	1.1
137.05951	6.9
137.09505	1.1
139.03883	12.1
139.07521	2.3
141.01804	3.3
141.05496	1.5
145.06494	2.0
145.10168	1.3
147.04460	1.3
147.08022	7.9
149.05959	3.5
151.03934	1.8
151.07520	3.2
153.05428	2.4
155.07011	3.7
159.02843	1.7
161.05890	1.0
163.03885	2.6
163.07571	9.9
165.05467	1.8
165.09106	19.0
166.06209	2.1
167.03395	1.3
167.06929	2.8
169.04936	2.5
170.05157	1.0
173.04448	1.6
173.05959	1.9
175.07512	3.3
175.51921	1.0
177.03957	1.0
181.04965	2.5
181.08571	6.2
183.10165	6.3
190.04761	0.9
191.07034	3.2
193.08585	21.9
195.06509	1.3
197.04417	4.5
197.32584	0.9
199.09622	14.6
201.03864	1.4
209.08084	10.0
211.09644	11.5
223.77130	1.2
227.09132	10.8
237.07530	6.1
241.10698	1.9
255.08620	100.0
256.08905	3.1
269.10080	2.5
273.09698	5.5
276.19540	1.2
287.11203	2.0
305.10184	7.7
322.15555	4.7
322.24258	1.4
322.57510	1.3
323.09045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88573	1.2
51.04856	1.1
54.18540	1.1
55.05502	6.1
57.03426	11.4
57.07060	1.7
67.05486	3.5
68.56771	1.0
69.03408	3.1
69.07053	8.3
70.41241	4.8
71.04973	2.1
73.88172	1.0
74.37448	1.0
79.05475	5.2
80.05015	1.3
81.05827	1.1
81.07035	5.7
82.06580	2.5
83.01341	1.1
83.04966	2.4
83.08604	1.2
84.04487	15.0
85.02884	12.2
85.06531	1.4
86.06048	5.1
91.05462	4.5
93.07034	6.2
94.06548	8.5
95.04949	3.7
95.08588	5.0
97.00605	1.1
102.05527	4.3
105.07007	5.3
106.06565	1.5
107.04920	1.5
107.08613	5.4
109.06518	1.7
109.10128	4.5
117.07007	2.6
118.06525	2.0
119.04854	1.3
119.07800	1.3
119.08555	8.8
120.08082	4.4
121.02818	1.2
121.06480	1.9
121.10119	3.4
122.09660	5.5
123.04453	1.3
123.08071	2.0
123.11700	1.3
125.09608	1.3
130.04993	30.1
131.07281	2.6
131.08559	3.0
132.08098	6.7
133.10083	1.6
134.09645	6.1
135.08038	1.2
135.11671	1.9
135.20831	1.5
136.07646	1.1
136.11189	18.6
137.05934	1.8
138.09119	3.4
139.03923	1.9
139.11093	1.2
144.08113	3.0
145.08870	1.6
145.10071	3.0
146.05957	1.8
146.09641	2.6
147.04381	3.9
147.07913	1.5
147.11656	3.0
148.07497	6.9
148.11259	1.3
150.09123	11.3
155.08139	1.4
157.10130	2.7
158.09622	5.9
159.08000	1.9
159.10405	2.2
160.07567	4.2
160.11205	6.7
161.08337	3.9
162.09117	3.7
163.11194	1.5
169.03636	1.1
169.04906	6.4
170.09601	1.4
172.07558	1.4
172.11108	2.2
173.11929	1.4
174.12779	10.7
175.11172	3.2
176.06984	1.1
176.10677	1.8
178.08606	4.4
180.06502	1.7
181.06134	2.2
183.02797	1.6
183.10349	1.5
184.11211	2.6
186.09087	3.0
187.09799	1.5
188.10681	5.1
190.08519	1.4
191.12973	1.9
192.06535	4.6
192.13809	56.1
193.07224	1.9
194.08052	5.0
200.10548	1.4
202.12193	9.4
204.10179	17.0
205.07300	3.4
205.09903	1.2
206.08095	24.0
207.08543	1.6
212.14333	3.7
216.10196	4.3
216.13876	2.4
218.11693	2.2
220.13332	2.3
220.17058	1.8
230.11856	2.8
230.15395	10.4
232.09636	5.0
234.11232	17.4
238.17943	2.7
240.13799	3.6
240.19496	1.4
244.09686	1.4
247.14290	2.3
248.12689	7.0
249.12459	1.9
250.10750	20.4
256.09247	2.6
257.16489	3.8
258.14865	31.3
262.10715	38.4
263.11139	2.4
265.10690	2.9
265.15454	3.2
275.17490	12.0
276.15976	3.9
279.13663	2.5
286.14316	4.2
303.16977	6.2
303.23141	2.1
304.15393	66.2
305.15735	5.2
320.56531	1.4
320.90070	1.7
321.18042	100.0
321.23956	4.8
321.57123	2.3
321.90866	3.0
322.18341	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	321.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01857	2.2
55.05508	7.7
57.07060	3.6
59.04967	1.3
65.03924	3.4
67.05505	11.1
69.03406	1.8
69.07062	76.1
70.07395	1.6
70.27472	6.1
71.04974	4.5
79.05499	6.9
81.07049	22.4
83.01334	16.3
83.04967	19.2
83.08598	3.4
84.08118	1.5
85.02902	2.8
85.06509	1.7
91.05472	6.9
93.07034	10.8
95.04963	8.0
95.08611	14.0
97.06521	5.5
97.10146	1.7
99.04393	1.2
102.94202	1.2
103.05455	1.5
105.07023	17.6
106.07409	1.2
107.04958	1.7
107.08585	12.7
109.02838	1.7
109.06515	5.4
109.10169	10.6
111.04430	5.6
117.07000	3.5
119.04948	2.6
119.08566	10.3
121.02834	2.9
121.06506	2.9
121.10111	8.6
123.04438	2.9
123.08056	12.2
123.11694	5.8
125.09592	2.1
127.03973	1.6
127.07491	1.8
129.01849	2.5
129.06953	2.7
131.08582	7.0
133.06488	1.6
133.10123	6.1
135.08051	3.4
135.11673	5.5
137.02296	1.3
137.05984	6.4
137.09578	2.7
139.03877	20.8
139.07512	1.6
141.06909	1.4
142.07690	1.7
143.08545	5.5
145.10114	8.7
147.04404	6.0
147.08003	2.7
147.11685	13.9
149.05989	1.8
149.09634	2.7
151.07532	23.7
155.08485	1.8
157.04976	3.3
157.10107	4.6
159.08002	2.5
159.11647	4.4
161.09593	4.5
163.03905	3.7
163.11180	3.1
165.09132	1.8
165.12756	2.3
167.07092	1.9
167.08516	1.6
168.00493	1.8
168.04146	3.1
168.09363	1.3
169.04953	100.0
169.10104	2.5
170.05339	2.1
171.11726	2.5
173.05934	1.4
173.09605	6.8
173.13263	2.0
174.06792	1.7
175.07588	1.4
175.11151	9.9
175.14816	1.6
177.05374	2.2
179.03340	2.3
180.04015	1.5
181.04895	2.9
181.10075	1.4
183.01231	2.4
183.02873	49.4
183.11678	5.6
184.03214	1.7
185.13217	1.9
186.01559	1.9
187.07443	1.5
187.11131	1.9
189.05499	2.2
189.09140	3.6
189.12743	5.5
191.07001	3.5
191.10583	3.7
193.04881	1.3
193.12228	7.0
193.15781	1.8
195.02843	3.5
195.11674	2.2
197.04520	2.8
197.13251	2.0
201.12683	2.0
202.06227	1.4
203.06902	1.7
205.08575	2.4
207.13783	13.9
209.04344	1.7
211.11169	4.8
213.12724	3.9
215.14439	1.4
217.08565	11.8
219.10197	2.7
223.09514	2.6
229.12253	8.3
231.13713	2.1
233.08023	1.4
233.15468	1.3
235.09599	15.0
238.17996	1.5
239.10660	3.4
241.12280	3.9
247.13419	1.6
251.09082	1.4
253.10710	27.3
257.11755	13.5
258.12033	2.1
259.13358	11.0
265.10681	9.7
275.12851	2.1
285.11115	6.6
285.14517	2.2
285.22025	1.4
303.12177	5.7
303.15894	4.1
303.19568	3.4
303.23166	5.4
321.13403	2.8
321.16653	8.1
321.20535	10.2
321.23990	5.2
321.57065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05499	5.6
56.05036	1.4
57.03416	2.8
57.07064	2.5
59.04977	2.3
60.82343	1.5
65.03914	1.8
66.43804	1.4
67.05490	9.3
68.99786	1.6
69.03424	2.3
69.07058	100.0
70.06567	2.1
70.07375	2.0
70.74682	1.7
71.04985	3.4
71.81538	2.7
79.05473	8.4
81.03398	3.9
81.07049	15.0
81.29353	1.5
83.04961	4.5
83.08613	4.3
85.02884	2.2
85.06523	2.6
91.05453	8.3
93.07001	9.7
95.04945	5.7
95.08595	10.5
97.02863	2.0
97.06532	6.8
97.10206	2.2
105.07022	10.8
107.04930	1.7
107.08580	12.7
109.06510	9.5
109.10157	9.3
111.04435	5.4
111.08024	3.7
115.05328	1.9
117.07004	3.5
119.04903	2.6
119.08583	11.0
121.02838	2.9
121.10142	9.0
123.08057	2.7
123.11708	5.1
125.09613	1.8
127.03899	2.6
128.06197	3.3
128.31560	1.5
129.06996	8.1
131.04893	2.9
131.08537	6.0
133.06438	2.3
133.10118	5.1
135.08023	2.3
135.11703	4.3
137.09581	6.1
137.24744	1.7
139.03889	15.8
139.07346	1.6
143.08556	2.4
145.06496	2.4
145.10109	5.1
147.04399	6.1
147.08011	3.3
147.11633	4.5
149.09616	3.2
151.07623	1.9
151.11182	2.1
153.05440	2.1
155.03384	6.0
156.04153	3.3
157.04958	4.3
157.06354	3.4
158.07326	2.6
159.04436	2.2
159.11664	3.0
161.05971	2.7
161.09618	12.2
161.13174	2.2
163.03897	5.5
163.11212	2.1
165.09138	2.6
165.12717	3.5
167.03386	2.5
168.04164	4.3
169.04953	69.4
171.08070	2.6
173.05904	2.1
173.09602	3.4
174.06749	11.4
175.07512	6.4
177.05452	4.5
177.09103	2.5
179.03389	2.4
181.04926	3.6
183.02875	12.3
183.06499	4.3
187.07529	2.0
189.05540	2.5
189.07480	2.6
189.09088	25.5
191.07022	15.7
191.08549	2.3
191.10617	2.0
193.04901	3.8
195.02925	3.7
197.08075	8.9
202.06270	1.9
203.07016	5.6
204.07777	2.7
205.04900	3.3
205.08621	2.6
206.05690	5.0
207.06528	7.2
207.10146	30.9
208.10464	1.7
209.08043	10.8
211.05894	1.7
217.08493	8.0
219.10089	1.6
219.13753	1.9
220.07202	2.7
223.09645	4.2
235.09622	90.6
236.10011	3.8
237.11264	2.8
238.17996	1.6
247.09612	4.3
251.09108	2.4
253.10744	4.7
257.15430	2.0
265.10632	9.9
303.16010	7.9
303.23029	6.1
321.10202	2.3
321.13449	4.3
321.17218	9.1
321.24127	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	321.1692
Annotation	14-Hydroxyplatensic Acid Methyl Ester
Peak:m/z	Relative Intensity
53.71668	0.6
54.72377	0.7
55.01876	0.9
55.05496	2.7
57.03421	2.7
57.07064	3.5
65.52068	0.6
67.05497	3.8
68.99773	2.7
69.03425	6.8
69.07059	4.3
71.81823	0.9
79.05485	8.4
81.03396	0.7
81.07049	8.0
83.01330	46.9
83.04974	1.8
84.01672	1.1
85.02894	8.0
91.05458	7.9
93.07033	20.3
95.04960	8.3
95.08598	10.6
97.00527	1.5
97.02918	0.8
97.06542	0.6
98.12162	0.7
99.04421	1.1
103.05438	1.0
103.58128	0.7
105.07016	22.1
107.04925	1.6
107.08580	15.7
108.24200	0.6
109.02866	1.2
109.06497	3.3
109.10142	20.0
117.07011	4.3
119.04924	2.3
119.08567	14.9
121.06504	5.1
121.10126	100.0
122.10437	3.6
123.04450	3.5
123.08064	4.3
123.11710	1.4
125.02327	7.3
125.05999	0.9
127.03903	2.2
129.06993	2.6
130.07758	2.8
131.08545	7.8
133.04933	2.1
133.06471	1.4
133.07532	0.7
133.09164	1.3
133.10106	17.5
134.10341	1.0
135.04335	1.1
135.08051	1.4
135.11673	14.6
137.02304	0.7
137.05952	4.4
137.13243	8.5
138.13521	0.9
139.03899	1.5
139.11162	2.5
141.05460	3.0
141.06943	1.3
142.07735	1.4
143.03365	1.3
143.08536	3.4
144.09309	0.8
145.06454	1.5
145.10110	15.5
147.08025	3.4
147.11664	1.9
149.05974	2.0
149.09595	0.9
151.03883	9.4
151.07524	1.1
151.11111	1.0
153.01807	21.0
153.05437	1.9
154.07741	1.0
155.08549	6.9
156.09349	1.4
157.04944	1.7
157.10123	4.3
159.08063	5.3
159.11681	8.8
161.05956	1.0
161.09615	2.2
163.04019	0.7
163.07538	1.2
163.11154	12.3
165.05473	6.6
165.09047	0.7
165.12650	0.7
167.07079	1.6
167.08549	2.6
168.09355	1.7
169.04944	7.7
169.10121	4.1
171.03024	0.8
171.08052	2.3
171.11676	0.9
172.08771	0.8
172.12419	0.7
173.09595	34.4
173.13264	2.7
174.09985	1.6
175.07518	2.4
175.14854	0.7
177.05478	2.7
177.09044	0.6
177.12715	0.9
181.04947	1.0
182.10895	6.4
183.06508	6.3
183.08052	1.6
183.11615	2.7
185.04480	1.5
185.09607	1.9
185.13191	1.0
186.10432	1.0
187.07509	3.6
187.11128	4.5
187.14809	4.0
188.08305	1.6
189.05394	1.0
189.09125	1.7
191.07018	3.2
191.10641	3.3
191.14250	0.7
192.09337	0.8
193.04971	0.9
195.06502	1.2
195.08102	1.3
196.08755	0.9
197.09482	1.6
197.13235	17.9
198.13612	1.4
200.11928	1.9
201.09111	9.8
201.12659	4.4
202.09819	0.9
203.07063	1.0
203.10707	1.6
203.14326	1.7
205.08557	1.3
205.12236	1.1
207.11644	1.6
210.10384	4.3
211.07689	1.2
211.11169	2.9
213.09041	2.1
214.09880	1.5
215.07062	2.2
215.10747	3.2
215.14267	15.6
215.16191	1.2
216.14757	1.1
217.08653	0.8
219.06512	3.2
219.13802	1.1
220.07227	0.7
221.08105	0.8
225.12715	23.3
226.13089	2.7
227.14310	2.4
228.07727	1.1
228.11360	3.9
229.08611	10.9
229.12164	10.3
231.10182	2.2
233.08060	1.1
233.11711	1.1
243.13770	78.5
244.14259	3.9
245.15376	1.9
247.09610	3.1
247.13269	3.9
253.12167	6.0
257.15338	0.9
261.11273	1.4
261.14688	4.1
263.12692	1.1
270.12531	0.9
271.13251	35.2
272.13623	2.7
275.16467	0.8
284.16464	2.1
285.14816	9.9
289.14307	50.2
290.14590	3.8
303.15860	74.1
304.16208	6.0
306.16168	1.0
307.15460	2.2
321.16779	22.6
322.17749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.169
Annotation	beta-Zearalenol
Peak:m/z	Relative Intensity
53.00299	0.5
55.01860	1.7
55.05500	2.4
57.03424	4.2
57.07064	64.8
58.07389	0.9
58.30481	0.3
59.04992	0.8
65.03935	0.7
67.05499	3.5
68.99793	0.4
69.03418	2.1
69.07059	2.0
71.04981	6.0
71.81024	0.4
76.11637	0.2
78.09399	0.3
79.05480	4.3
81.07041	5.3
83.01323	5.4
83.04952	2.0
83.08602	0.6
85.02886	0.7
85.06528	22.3
86.06860	0.4
91.05457	4.1
93.07030	5.8
95.04954	2.9
95.08595	2.9
97.02879	0.8
97.06480	1.5
103.05408	0.3
105.03379	1.1
105.07010	5.4
107.04944	3.2
107.08577	5.5
107.88435	0.3
109.02885	0.6
109.06496	5.2
109.10129	2.3
111.02759	0.3
111.04424	0.6
111.08063	8.3
113.06003	0.4
115.05419	0.6
116.06232	0.4
117.06992	2.5
119.04930	1.7
119.05939	0.3
119.08561	2.0
121.02808	0.4
121.06483	3.8
121.10126	3.5
123.00751	0.5
123.04410	2.7
123.08042	6.2
123.11655	0.4
125.02341	0.6
125.05981	1.3
125.09609	0.3
127.06673	0.4
127.07538	5.3
128.06235	0.7
129.06987	1.2
130.07759	0.8
131.04906	0.3
131.08545	3.5
133.06464	2.3
133.10114	1.8
135.04411	2.4
135.08025	9.2
135.11687	0.7
137.02325	0.8
137.05949	1.3
137.09642	0.6
139.03879	1.2
139.07503	3.7
141.05453	2.6
141.06934	0.7
141.09076	1.2
142.07744	0.7
143.08582	1.4
144.09364	0.4
145.06461	1.5
145.10110	5.2
147.04347	0.5
147.08028	1.6
147.11653	0.6
148.08806	0.3
149.05936	4.6
149.09593	13.6
150.09900	0.4
151.03859	0.5
151.07494	1.0
151.11154	1.5
153.05444	13.0
153.09041	0.5
154.05835	0.3
154.07828	0.4
155.08508	1.8
156.09256	0.5
157.10126	1.0
158.07240	1.1
159.08047	3.2
159.11649	1.2
160.08739	0.5
161.05925	2.6
161.09598	1.2
162.06723	1.5
163.03909	0.5
163.07521	5.2
163.11148	2.4
165.05481	4.0
165.06857	0.4
165.09091	0.7
167.07043	0.9
167.08446	0.6
167.10666	1.0
168.09219	0.5
169.10114	1.2
171.08028	1.1
171.11617	0.4
172.08702	0.4
173.05981	0.9
173.09590	5.5
173.13242	0.6
175.07440	1.7
175.11159	0.7
176.08305	2.5
177.05484	5.1
177.09079	20.6
178.09442	0.8
179.06963	0.7
179.08479	0.4
179.14261	0.5
181.05034	0.6
181.08571	2.8
181.10074	0.6
182.10925	0.3
183.08037	0.8
183.09959	0.4
183.11574	0.6
185.09608	0.9
185.13174	0.3
186.06689	0.4
187.07571	0.6
187.11137	3.2
189.05460	0.8
189.09084	1.6
190.06259	0.8
191.07018	4.1
191.08797	0.6
191.10629	9.6
193.08548	0.7
195.06522	2.1
195.08189	0.5
195.10139	2.1
196.12239	0.3
197.09540	0.7
197.13226	0.4
199.07452	0.5
199.11211	0.6
200.08255	0.5
200.11917	0.5
201.09068	6.2
201.12723	0.9
202.06248	0.3
202.09534	0.4
203.06883	0.4
203.10577	1.9
204.07785	1.7
205.12178	1.0
207.11714	0.7
209.08032	1.1
209.09721	0.4
209.11656	0.8
210.10294	0.7
211.09479	0.6
211.14943	0.3
213.09079	0.9
214.09698	0.4
214.13469	0.3
215.10628	5.8
215.14120	1.4
217.08568	7.4
217.10521	0.5
218.09024	0.3
219.10126	81.6
220.10481	4.2
221.09775	0.3
223.11201	0.5
223.13141	3.5
223.14931	0.3
224.11867	0.8
225.09212	0.4
225.12617	0.8
227.10600	1.0
229.08594	1.9
229.12268	0.6
229.15865	1.1
231.10095	0.8
233.11691	10.5
234.12085	0.4
237.11169	100.0
238.11531	5.3
239.14267	0.7
241.12202	0.4
242.12985	0.7
243.10103	2.5
243.13737	3.9
245.11601	0.4
247.09587	0.8
247.13203	0.5
249.11122	2.5
251.10443	0.4
251.12711	4.4
255.10115	0.4
257.15335	5.4
260.11911	0.6
261.11063	0.4
261.11813	0.4
261.14761	3.5
265.12360	0.6
267.13815	1.7
270.12494	0.4
275.16452	1.7
279.13550	0.7
285.14819	11.1
286.15137	0.9
286.45740	0.3
303.15866	57.9
304.16199	4.0
306.16077	0.4
321.16937	76.5
322.17322	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.8
55.05499	13.5
57.03426	4.9
57.07072	6.5
65.03928	5.8
67.05495	31.6
69.03424	75.4
69.07062	11.8
70.06591	7.0
70.81322	17.6
71.01345	5.0
71.04987	24.1
77.03936	4.7
79.05500	27.1
81.07045	79.6
83.04967	70.8
85.02870	6.2
85.06537	42.2
91.05486	24.7
91.90767	5.0
92.98068	4.5
93.07043	49.7
95.04964	51.6
95.08601	39.4
97.06534	47.0
99.04447	6.2
101.05986	16.1
105.07015	57.5
107.08577	49.8
109.06510	73.7
109.10129	9.6
111.04446	10.4
111.08044	10.4
113.05990	69.4
115.03911	14.3
116.07056	7.1
117.06982	14.0
119.04927	17.3
119.08553	17.8
121.06487	16.2
121.10155	10.8
123.04471	5.9
123.08038	31.3
125.09598	16.7
127.07549	19.2
129.05453	6.8
131.08565	18.0
133.06459	13.7
133.10138	31.9
135.11652	10.0
137.05988	8.5
141.05443	19.6
141.09061	37.5
142.07736	9.6
143.08540	6.6
145.10139	10.4
147.04382	48.3
147.11707	35.3
148.04698	6.7
151.11142	19.7
153.05582	5.8
155.06987	11.4
157.10112	22.0
159.06512	90.1
159.11687	8.2
160.07574	7.5
161.09552	8.3
163.11127	12.0
165.12685	12.6
165.48239	5.4
173.08072	35.1
175.11171	58.4
177.12715	6.8
185.08081	19.1
185.09561	5.3
193.12224	70.6
195.13719	6.7
203.10640	21.4
211.13281	81.0
212.13654	6.0
221.11726	43.6
229.14232	12.2
239.12761	97.9
257.13828	100.0
267.12247	20.8
275.14908	40.6
321.09512	36.1
321.15231	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	321.154
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03923	4.1
55.01845	6.3
55.05490	17.2
56.05023	4.4
57.03439	5.9
57.07063	6.6
57.19368	4.3
61.46804	5.4
67.05497	26.8
69.03423	57.7
69.07053	12.2
70.06580	7.6
70.84816	12.8
71.04974	17.6
79.05474	32.1
81.07044	82.2
83.04971	59.5
83.08614	6.2
83.47152	4.2
85.06544	47.6
86.09676	7.0
87.04452	5.3
91.05469	22.5
93.07033	49.0
95.04960	45.1
95.08609	26.6
97.06525	21.2
99.04407	5.3
99.08113	5.0
100.99597	5.1
101.06005	12.4
105.03407	7.3
105.07014	43.9
106.77283	5.0
107.04954	10.2
107.08573	38.7
109.06505	74.7
109.10137	7.9
111.04416	9.4
111.08043	13.9
113.05990	72.8
115.03914	11.0
115.05434	4.5
115.07530	6.3
117.07027	6.8
119.04925	10.5
119.08577	18.8
121.06485	13.1
121.10124	11.0
123.04411	13.1
123.08035	29.7
123.11690	6.1
127.03894	13.3
127.07589	14.2
129.05453	11.0
129.06964	6.6
130.05017	6.2
131.08551	14.8
133.06483	9.0
133.10127	25.2
135.04401	5.5
135.08029	13.7
135.11690	10.0
137.05945	9.1
139.03842	5.3
139.07497	5.2
141.05467	18.9
141.09109	7.5
142.07742	8.5
145.06467	4.4
145.10063	10.2
147.04411	22.6
147.11661	28.9
149.13319	4.7
151.07532	6.7
151.11151	14.1
153.12750	6.3
155.07048	10.9
157.10126	31.5
159.06534	92.4
159.11667	9.9
161.09688	9.0
163.11189	10.2
165.05617	4.5
165.12787	8.2
173.08096	32.1
175.11183	59.6
177.12794	8.1
180.69344	4.5
185.08073	17.5
185.09593	6.6
187.11104	6.3
193.12219	71.8
195.13785	8.9
199.09726	7.4
203.10716	24.2
211.13264	90.1
221.11668	31.0
229.14311	16.7
239.12740	91.6
249.11261	6.8
257.13803	100.0
267.12253	14.9
275.14908	35.4
321.15024	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	321.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87574	0.2
68.19208	0.2
70.24086	0.9
72.51569	0.2
73.45438	0.2
84.17093	0.2
98.97556	0.7
108.56592	0.2
111.05538	0.2
116.98592	0.3
123.05581	0.2
133.03453	0.4
138.24672	0.2
141.06557	0.6
158.99619	0.3
159.06342	0.3
159.07603	0.3
177.00681	0.4
219.01669	0.3
219.07069	0.4
227.42653	0.2
232.60899	0.2
237.03078	0.2
279.03976	0.3
321.11523	100.0
322.11923	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.154
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.03936	1.4
55.01860	9.2
55.05497	3.3
56.49508	1.2
57.03455	1.7
67.05495	8.5
69.03426	7.8
69.07046	2.1
70.06571	5.0
71.01363	1.3
71.04980	5.0
71.77058	1.7
72.08143	1.9
74.55936	1.2
74.64591	1.1
79.05483	9.3
81.03404	1.9
81.07049	27.2
83.04975	6.8
83.08595	1.3
85.02898	5.6
85.06516	3.4
86.06052	1.8
87.04488	1.3
91.05483	3.9
93.07031	7.5
94.06575	1.6
95.04967	6.6
95.08591	24.9
96.85025	1.3
97.02873	2.5
97.06522	90.8
98.06871	1.8
99.08083	1.5
105.07024	5.8
107.04920	2.8
107.08585	3.4
109.06506	5.5
109.10143	1.3
111.08084	2.7
113.05984	4.4
115.03951	1.1
119.04988	1.9
119.08554	2.3
120.08112	1.5
121.06530	1.7
122.06010	3.8
123.04414	8.4
123.08050	26.8
127.03907	18.8
127.07527	1.2
130.05013	2.0
133.06546	1.7
133.10085	2.9
134.05968	1.3
135.04405	5.0
135.08109	1.4
135.11705	1.3
136.07513	1.4
138.05441	1.6
139.03902	4.9
141.05495	2.2
141.09090	100.0
142.09447	2.2
145.05002	1.2
147.04385	8.2
147.11668	2.9
151.07591	1.3
151.11140	2.0
152.07024	3.1
157.10202	1.4
159.06496	7.3
159.10164	6.2
159.11624	1.5
161.09618	1.7
163.03940	7.2
169.04933	5.0
173.08113	1.6
174.08704	2.4
175.11154	3.3
180.06480	1.4
181.08629	1.4
192.13712	1.3
193.12250	5.3
199.09680	2.4
202.12161	1.2
203.10619	2.4
211.13210	5.2
221.11769	3.1
222.11987	1.7
233.09308	1.8
239.12816	6.3
257.13846	7.6
261.12634	1.6
267.12427	1.5
271.05933	3.9
275.14481	1.2
286.13507	1.4
287.70334	1.3
289.06995	2.2
303.13385	6.7
321.10214	2.2
321.14835	9.7
321.48389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0966
Annotation	4'-O-Methylgallocatechin
Peak:m/z	Relative Intensity
51.02385	0.7
53.03926	1.8
55.01881	0.8
55.05502	4.0
56.96558	1.0
57.07045	1.0
59.94692	0.8
65.03931	5.4
67.05503	5.4
68.02641	1.0
68.99770	2.1
69.03428	3.6
69.07069	3.6
71.04987	1.3
71.81541	1.0
74.11047	0.7
77.03923	0.8
79.05493	5.1
81.03397	1.3
81.07047	6.0
83.04948	2.4
83.08614	1.2
85.02855	1.1
85.06542	0.9
91.05446	2.1
93.03398	1.6
93.07012	3.6
95.04959	24.7
95.08589	3.3
96.02125	0.8
97.02879	9.4
97.06504	3.7
97.10150	3.6
102.14251	0.7
105.03409	1.2
105.07031	3.6
107.04933	3.3
107.08575	3.0
109.02872	5.0
109.06497	4.0
109.10126	2.9
110.03638	1.6
111.04433	43.3
113.06006	0.9
116.98610	1.0
119.04940	1.0
119.08569	2.7
121.02873	5.2
121.06480	4.6
121.10126	1.9
123.04417	46.4
123.08083	1.0
123.11670	2.0
124.05205	12.9
125.02319	2.4
125.05971	8.6
125.09639	1.7
127.03905	6.8
131.08560	1.4
133.02771	0.9
133.10100	1.9
135.04396	2.4
135.08035	0.8
135.11719	1.5
137.02348	2.7
137.05954	7.5
139.03886	100.0
139.11172	1.2
140.04675	7.6
140.07010	0.9
141.05441	2.8
143.10681	1.1
145.10060	0.9
147.04396	2.9
147.11697	0.9
149.02338	20.5
149.13234	1.0
150.03125	1.6
151.03909	10.2
151.05011	1.8
151.11118	0.7
153.05446	46.9
154.06126	1.5
155.03371	14.7
157.04951	1.5
159.11702	0.9
161.13254	1.1
163.03899	2.5
165.01839	8.5
165.05478	6.5
166.02629	0.8
166.06305	5.1
167.03384	1.7
169.04953	27.2
173.13205	1.0
175.07504	1.0
175.10957	0.7
177.12688	1.1
179.03389	17.5
181.04947	20.4
182.05730	19.0
183.06502	1.0
191.45695	0.9
197.04434	21.1
197.06236	1.0
198.05215	0.9
200.04692	0.8
215.06926	0.8
217.05127	0.8
231.02867	0.8
238.18028	1.1
242.05707	0.8
243.06503	2.1
245.04512	1.1
247.03612	1.1
249.59985	0.7
257.08078	1.6
259.05936	0.8
268.04205	1.1
271.06003	1.1
273.03949	1.1
275.09219	2.5
285.07471	4.6
285.22015	0.7
288.06461	1.2
303.08661	8.3
303.15985	1.1
303.23206	2.6
321.09631	14.9
321.17712	1.3
321.24237	7.0
321.57114	0.8
337.02344	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	320.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	3.2
58.71081	0.9
65.03938	1.4
67.05495	5.4
69.03037	1.6
69.03417	31.4
69.07043	1.8
70.49102	4.3
71.01334	3.7
71.04981	5.9
81.03392	1.7
81.07027	2.9
83.04970	31.8
85.02879	0.9
85.06534	9.3
91.05464	5.0
93.07013	1.5
95.04955	12.5
97.02866	1.0
97.06532	2.6
98.21306	1.0
99.08102	1.0
101.05989	2.6
105.07007	1.0
107.08551	1.2
109.06519	1.9
111.04430	5.2
113.05988	59.8
114.06312	1.3
115.03905	8.1
119.08527	1.4
121.09999	0.9
123.04416	2.5
127.07539	16.0
137.02325	9.3
139.03839	5.0
140.06931	1.1
141.05441	15.0
147.04370	2.0
152.04666	1.1
155.03377	3.5
158.08109	1.4
159.06505	100.0
160.06860	2.3
167.03377	3.4
168.03804	1.2
179.10724	1.7
179.92203	0.8
193.12239	0.9
221.11740	1.6
239.12781	9.5
257.13651	0.9
267.12302	1.5
285.13281	20.3
302.07401	1.4
303.14258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2265
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
50.61380	1.7
55.01861	3.1
55.05506	15.3
55.40389	2.0
57.07053	8.5
59.04977	4.0
67.05494	19.3
69.03423	23.1
69.07064	16.2
70.06583	1.9
70.14396	9.8
71.04977	13.5
73.37506	1.7
77.68389	1.6
79.05479	22.6
81.03407	2.4
81.07043	100.0
83.04960	4.6
83.08591	5.9
85.06515	3.7
91.05462	18.1
93.07029	47.7
95.04955	10.0
95.08590	59.0
95.90932	1.7
96.24491	1.7
97.02851	2.1
97.06516	15.3
97.10154	8.2
98.21398	3.1
99.08105	2.0
99.81884	1.9
100.11207	4.8
105.07008	46.8
107.04918	3.7
107.08578	52.4
108.08887	2.0
109.02863	4.4
109.06519	9.8
109.10136	46.6
111.08067	3.0
117.06997	4.4
119.08564	32.8
120.08899	2.0
121.06484	7.5
121.10126	45.8
123.08041	7.5
123.11685	13.8
125.09606	28.1
127.11188	6.4
129.06992	4.3
131.08549	12.8
133.10109	53.2
135.08034	8.2
135.10649	2.8
135.11655	30.1
137.02330	4.5
137.09578	8.5
139.07458	2.2
139.11180	5.8
142.07758	2.7
143.08563	5.8
145.10101	29.3
147.04364	4.2
147.08061	3.4
147.11673	15.3
149.09621	4.0
149.13231	12.5
151.11203	5.1
153.09093	2.2
153.12663	2.2
157.10089	9.9
158.10867	2.0
159.11678	24.1
161.09586	11.8
161.13234	11.4
163.11162	8.7
163.14806	4.1
165.12746	2.4
166.05002	2.8
171.11650	6.3
173.09567	5.3
173.13223	14.3
175.07539	2.0
175.11172	7.7
175.14815	3.8
177.12726	3.7
177.16350	3.9
179.10669	2.3
184.16905	3.7
185.13197	4.1
187.14803	12.2
189.12738	2.4
189.16402	3.7
191.14264	17.4
191.17876	20.6
193.15952	2.5
194.04521	3.2
197.13205	5.0
199.14804	12.5
201.16357	21.4
203.14301	2.2
209.13336	2.0
211.14867	2.3
213.12708	2.1
213.16374	5.7
215.14294	5.5
215.79240	1.8
217.15846	2.4
219.17390	35.9
228.13339	2.6
231.17482	6.2
241.15756	3.5
245.04401	2.4
255.21075	9.5
258.05057	4.8
265.19312	3.6
273.03857	14.3
273.22079	27.8
278.37134	1.8
283.20462	19.7
286.04724	10.4
287.01862	3.5
291.22986	3.7
301.03674	3.7
301.07001	28.1
301.11786	25.0
301.14450	2.3
301.21545	46.0
302.07474	2.8
302.11917	2.9
319.04483	3.8
319.08118	30.6
319.12537	7.2
319.15823	3.3
319.19073	4.3
319.22653	15.2
320.08511	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	319.2265
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.00294	2.1
53.03924	4.8
54.68732	1.6
55.01858	2.4
55.05499	17.1
57.07060	5.5
59.04989	4.7
59.63304	1.9
62.64136	2.0
65.03928	2.6
66.44991	2.0
67.05495	29.4
68.99794	2.0
69.03419	19.9
69.07059	18.3
70.06579	2.5
71.04996	12.2
71.79845	3.6
73.82514	1.8
79.05480	20.3
80.57439	2.5
81.03410	4.9
81.07046	100.0
82.07379	2.4
83.04953	4.7
83.08601	9.4
85.06534	4.8
91.05480	18.0
93.07034	48.6
93.07578	1.7
94.07341	2.0
95.04964	12.3
95.08591	61.0
97.06496	18.2
97.10158	11.5
99.08082	2.2
100.11237	13.7
105.07014	50.3
107.04920	3.1
107.08578	60.1
109.02845	3.3
109.06494	13.0
109.10137	39.8
111.08046	5.3
113.09584	2.0
116.31451	1.9
117.07005	5.4
119.08556	29.2
120.08098	7.5
121.06490	6.7
121.10127	50.0
123.08048	8.5
123.11684	13.9
125.09601	22.1
127.11183	4.1
128.06239	2.6
129.06984	3.5
130.07762	2.0
131.08540	14.0
132.01088	3.1
133.10107	43.2
135.08028	8.4
135.11658	29.9
136.12013	2.2
137.02315	8.6
137.05951	4.4
137.09592	13.5
137.13205	3.5
139.11148	8.3
141.09061	2.4
142.07707	3.4
143.08521	5.7
143.10599	2.3
145.06525	2.2
145.10118	31.8
147.08058	2.8
147.11639	19.9
149.09589	5.0
149.13258	13.7
151.11160	7.4
153.01814	2.5
157.10106	11.3
159.11688	25.3
161.05983	2.8
161.09589	12.2
161.13220	12.8
162.13535	2.3
163.07555	2.3
163.11183	8.7
163.14781	4.7
165.09090	2.3
165.12770	3.1
167.07123	2.6
169.10168	2.7
171.11679	10.0
173.05847	2.1
173.09573	2.6
173.13225	16.7
175.11169	9.7
175.14793	7.7
177.09073	3.3
177.12680	3.3
179.14348	2.5
184.12527	2.0
184.16951	5.4
185.09560	2.2
185.13182	4.7
187.11200	2.5
187.14818	10.6
189.09166	2.2
189.12793	2.7
189.16415	3.4
191.14270	11.4
191.17929	16.6
197.13237	6.0
199.14764	11.1
201.16362	21.8
202.09007	4.3
203.09236	5.7
203.14267	5.3
213.12700	4.2
213.16295	9.1
215.14258	5.8
217.15858	2.6
219.17439	34.4
225.16212	2.8
227.14294	2.1
227.17581	4.2
228.13892	3.9
233.15338	3.1
245.04431	2.5
245.08105	2.2
255.21135	7.2
257.22272	2.1
258.05136	3.4
273.03897	22.0
273.22089	31.0
274.14511	2.2
275.23694	2.5
282.95093	2.4
283.20520	19.3
286.04764	6.1
287.01965	13.2
291.23129	6.8
294.20471	3.5
301.03650	4.1
301.07068	18.6
301.11502	4.3
301.14539	4.6
301.21524	53.9
302.07172	2.7
302.21967	2.5
318.75562	6.1
319.04401	5.6
319.08145	18.8
319.11673	3.4
319.15546	6.1
319.19290	3.7
319.22708	16.1
320.08261	2.9
320.16867	3.2
343.30664	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	319.1537
Annotation	Zearalenone
Peak:m/z	Relative Intensity
51.91933	0.7
55.01865	0.8
55.05493	3.0
56.34430	0.7
57.03425	1.1
58.04905	0.7
63.19749	0.6
67.01852	2.1
67.05502	4.1
69.03427	3.9
69.07063	31.2
71.06261	0.9
71.06555	1.1
79.05491	1.8
81.07058	4.2
83.04964	4.4
83.08612	1.8
85.06523	0.8
91.05485	5.0
93.07019	2.0
95.04928	2.1
95.08591	3.4
97.06545	5.2
97.10139	1.9
105.07024	4.0
107.04948	11.7
107.08588	7.6
109.06470	3.4
109.10151	6.2
110.40516	0.7
111.08071	3.8
119.08562	7.4
121.06492	4.6
121.10149	2.1
123.04395	1.8
123.08050	2.9
125.09597	3.6
127.11164	3.0
129.07005	9.0
131.08554	1.9
132.05690	1.0
133.06459	1.3
133.10179	1.2
135.04404	47.1
135.07965	1.0
136.04744	0.7
137.02296	0.7
137.05959	4.9
137.09595	3.0
138.10382	0.9
139.11160	2.4
143.08569	1.3
145.06467	1.0
145.10130	0.8
147.04405	5.4
147.08035	17.5
149.05980	3.3
149.09560	1.0
151.03874	1.4
151.11133	1.6
152.12004	1.0
153.05450	4.5
157.06467	4.3
159.08092	1.8
160.05130	3.5
161.05968	4.9
161.09595	2.3
163.03897	31.8
163.07520	2.6
171.08058	3.3
173.05922	1.0
174.06749	3.3
175.07535	74.5
176.07849	2.6
177.01892	0.7
177.05437	2.9
177.09125	8.3
179.03424	1.4
181.05000	5.4
181.06352	1.1
185.05882	0.9
185.09628	1.5
187.07520	2.2
189.05418	4.5
189.09102	4.7
193.05013	1.1
198.06750	1.6
199.07495	2.8
201.09094	3.6
203.07007	47.6
205.04915	0.9
205.08556	2.3
209.13252	1.1
213.09074	6.1
215.06995	1.5
215.10677	3.2
217.08594	13.0
217.12029	1.1
219.06499	1.6
221.08058	2.8
225.09059	1.1
227.07039	3.0
227.10521	1.0
227.14413	1.2
231.06508	10.8
231.10191	2.1
231.13826	1.8
233.08069	1.6
237.12741	2.2
240.11407	1.7
241.08543	1.3
241.12361	0.8
243.10135	1.2
245.08066	12.3
245.15381	3.5
246.08438	0.9
247.09637	7.1
249.07463	1.1
255.13803	12.4
259.09677	3.5
265.12177	0.8
273.03925	3.6
273.14835	22.7
274.15250	1.3
283.13303	8.2
301.14322	54.1
302.14688	3.0
319.15381	100.0
320.15714	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	319.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	9.6
59.98223	1.6
61.02918	7.3
61.59514	1.6
69.03413	4.1
70.06593	2.5
73.02917	2.5
85.02901	7.7
97.02859	5.3
98.97576	13.2
101.00875	2.3
110.01292	2.8
110.07153	3.6
110.97570	3.2
116.98608	8.6
118.90405	2.0
119.01877	6.8
119.88820	1.7
121.01685	3.8
127.03880	3.0
128.02310	7.8
128.98587	4.3
132.34045	1.8
133.01550	2.4
134.99629	4.2
135.03107	3.5
137.02811	5.8
139.03821	2.1
142.01791	2.0
143.00145	3.8
145.03506	2.4
146.99609	3.1
147.03209	2.8
148.03885	2.2
149.01216	2.6
156.53752	2.2
157.04724	8.6
157.10567	2.3
158.99632	7.4
160.02856	2.0
161.02997	3.2
163.03899	2.5
173.03009	1.9
174.99135	5.6
177.00699	7.8
187.04506	5.5
189.00728	5.0
189.04335	2.0
192.02837	1.9
192.52937	2.1
193.00221	6.9
201.00691	2.2
201.06166	2.5
207.01497	2.1
213.03290	10.9
213.53609	2.2
219.01726	3.0
220.04216	5.1
222.03854	3.3
229.04477	3.3
229.06575	2.4
229.39285	2.5
237.02765	5.0
238.06750	1.9
255.03893	2.3
273.09415	6.9
277.06113	3.8
279.03845	6.5
297.05164	2.0
319.07022	6.6
319.09915	61.5
319.13608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0808
Annotation	Drimiopsin A
Peak:m/z	Relative Intensity
53.54202	0.3
55.69028	0.2
59.68682	0.3
65.86843	0.3
69.03412	0.6
81.07014	0.3
82.89649	0.3
85.02887	0.4
91.90440	0.3
93.07066	0.4
107.08545	0.3
119.08505	0.3
127.03846	0.4
127.25303	0.2
149.05931	0.9
151.03894	1.4
167.03421	0.7
177.05438	2.1
213.05428	0.9
229.04933	4.5
229.13287	0.4
230.05725	2.6
243.02962	0.6
245.04468	0.4
245.08028	1.6
255.06497	0.8
257.04413	1.2
258.05209	15.5
259.05731	0.6
268.03534	1.7
271.02298	0.6
273.03989	1.3
273.07504	9.0
283.05951	0.4
285.03903	39.8
286.04645	16.7
286.07971	0.3
287.05026	0.6
301.07022	100.0
302.07352	4.3
319.08084	70.7
320.08405	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	319.0446
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
54.28796	0.4
55.01871	0.5
55.05487	0.4
57.07052	0.4
58.59319	0.4
59.30003	0.4
59.54721	0.4
67.05489	0.9
68.99783	3.4
69.03397	0.4
70.06593	0.6
70.61642	0.4
71.04942	0.6
71.81062	0.7
79.05485	1.0
81.03387	0.7
81.07034	1.3
86.09674	0.4
91.05475	0.5
93.07003	1.5
95.04948	0.9
95.08604	1.0
103.05434	0.6
105.07008	0.8
107.08593	0.8
109.02867	1.1
109.06496	0.6
109.10155	0.8
111.00751	0.6
111.04485	0.5
115.05418	1.1
117.07006	0.7
119.08549	0.8
121.02875	0.5
121.06476	0.5
121.10087	0.9
123.08059	0.6
131.04916	0.6
135.11685	0.6
137.02322	11.7
137.03337	0.8
137.05899	0.6
139.03896	0.4
145.06473	0.8
145.10123	0.6
147.04381	0.9
149.05931	0.5
153.01839	0.8
157.10062	0.5
159.04256	0.4
161.05963	0.7
163.03818	0.5
165.01831	5.3
171.04398	1.4
173.13127	0.5
177.05402	0.8
180.13759	0.4
183.02841	0.9
189.05423	1.4
197.11850	0.4
199.03854	1.3
201.05431	1.3
203.03392	1.2
217.04953	1.3
227.03366	4.5
229.04900	3.1
245.04443	4.8
247.06015	0.8
255.00301	0.6
255.02806	3.8
257.04440	4.8
273.03897	100.0
274.04300	2.3
275.05405	2.2
283.02353	0.5
301.03531	2.1
301.11536	0.9
301.14621	0.5
301.18246	0.4
319.04416	4.3
319.07648	0.7
319.11899	2.0
319.15585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47408	0.4
56.96557	24.0
57.07050	0.5
60.39095	0.4
61.02916	0.6
67.05492	0.6
69.03415	1.0
70.06593	0.4
70.21136	1.0
70.21527	0.9
70.98116	0.4
73.02914	0.5
81.07063	0.5
84.08110	0.5
85.02897	2.1
86.51213	0.4
89.03895	0.6
97.02882	1.1
98.97572	9.4
100.78307	0.4
107.04967	0.7
109.02790	0.6
110.07128	1.4
110.90070	0.4
110.97543	4.1
114.23679	0.5
115.00673	3.4
116.98608	9.4
117.04005	0.9
119.01879	1.3
119.04964	0.5
121.01663	0.4
121.82642	0.4
127.03855	0.9
128.97639	0.5
128.98598	8.9
129.02156	0.4
131.01846	0.6
133.01718	3.2
134.99651	6.7
135.05107	0.6
137.04819	0.4
138.05449	1.2
139.05861	1.1
140.98596	1.1
143.00113	0.8
143.01836	0.4
145.03484	0.9
146.99637	7.3
147.03204	1.3
147.04327	0.8
149.01205	0.5
151.02806	0.6
153.00671	1.1
156.06569	0.9
156.98047	5.3
157.01744	0.6
157.04814	0.4
157.06950	0.9
158.01347	0.5
158.99637	4.3
161.01208	1.0
161.02943	0.8
161.06621	0.6
163.03859	3.4
165.00706	1.4
171.03201	1.7
173.01175	0.4
174.03633	0.7
174.99135	56.3
175.02686	4.8
175.99541	0.5
176.99260	0.7
177.00703	9.0
184.83395	0.4
185.02956	0.5
186.99187	0.4
187.04485	1.5
187.06232	0.4
189.00624	0.9
189.02443	0.5
189.04312	2.1
189.05711	0.4
193.00189	100.0
194.00659	1.1
195.01738	1.9
198.00766	2.4
201.00694	1.7
207.01683	0.5
211.01225	8.0
215.00211	0.7
215.02235	8.2
215.04169	0.6
216.01805	3.2
217.00211	0.6
217.03746	1.0
219.01711	4.2
221.05058	0.5
233.03278	9.0
233.05522	0.6
235.01131	0.5
237.02737	2.6
237.87004	0.4
256.04788	0.6
259.01236	6.9
277.02258	2.5
277.05453	0.5
278.50305	0.4
293.09128	1.5
301.02576	0.8
311.10123	0.8
319.03226	3.0
319.07385	1.7
319.10382	0.5
319.13571	12.8
337.01959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
53.12775	0.3
54.35601	0.3
55.01851	0.6
57.03430	1.6
61.02897	1.5
62.16483	0.3
62.33189	0.3
62.61615	0.3
63.13944	0.4
69.03416	4.0
69.07043	1.0
70.32152	1.2
71.04967	0.7
73.02896	1.0
73.29479	0.3
79.05451	0.5
81.03422	1.6
81.07039	0.4
82.06558	1.0
83.08586	0.5
83.37543	0.3
85.02399	0.6
85.02891	9.1
86.09690	0.5
87.02425	0.4
87.04456	1.0
91.03932	0.8
91.05473	0.5
93.07037	1.7
95.04910	0.3
95.07328	0.6
95.08580	1.5
96.04485	2.2
96.08111	1.8
97.02873	3.4
97.05259	1.8
97.06511	1.2
98.62518	0.3
99.04461	0.6
100.07588	1.1
103.05424	0.8
108.08118	0.3
109.02878	1.2
109.06509	0.9
110.06008	6.2
110.09670	3.0
111.04419	0.3
111.08076	0.9
120.08092	0.9
121.06490	11.8
122.06857	0.4
123.69630	0.3
125.08331	0.7
126.09136	7.6
127.03891	2.2
138.09120	19.7
139.07520	2.4
145.04959	1.6
152.10680	0.7
152.36740	0.3
156.10176	100.0
157.10564	2.5
168.10173	0.8
180.10168	0.9
198.11324	0.7
222.11246	0.6
288.10342	0.6
318.11920	0.6
318.15353	3.4
319.16162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2998
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
50.48565	0.3
55.05468	0.4
57.07070	6.9
58.06584	1.6
60.30027	0.3
69.07049	0.3
70.06582	13.7
70.52686	1.2
71.08620	2.9
71.18985	0.3
72.08146	0.5
80.26691	0.3
85.10155	0.9
86.09671	0.5
88.07618	18.6
90.73927	0.3
102.08519	0.6
102.09164	11.4
132.10185	0.5
146.11713	0.8
209.14955	0.4
212.23708	0.9
256.26331	43.4
257.26685	1.2
292.52386	0.3
300.28906	2.9
305.44376	0.4
318.29990	100.0
319.30341	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	317.2107
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
52.82710	1.0
55.01863	2.8
55.05510	9.8
57.03415	1.8
57.07068	7.4
59.04973	4.6
59.09690	1.0
60.04516	8.8
60.35983	1.0
61.04826	1.2
65.03925	1.6
67.05497	47.5
69.03404	2.8
69.07054	5.4
69.68691	9.2
70.06564	2.7
71.04980	2.8
71.08619	1.3
74.37840	1.1
79.05486	10.6
81.03385	2.8
81.07042	24.2
83.04961	1.9
85.06516	3.1
88.07607	4.5
91.05463	10.4
93.07034	15.3
95.04961	24.2
95.08589	18.8
97.06538	6.5
102.09161	2.2
103.05385	1.1
105.07016	12.7
107.04961	1.4
107.08585	34.4
109.06513	13.7
109.10144	80.0
110.10453	2.0
111.08050	1.1
117.06991	3.6
119.08565	54.2
120.08901	1.2
121.06477	4.8
121.10108	6.2
122.07278	1.3
123.08038	18.8
125.05981	2.9
129.07018	1.1
131.08530	4.7
133.06473	2.9
133.10130	6.6
135.08031	7.1
135.11678	1.8
137.05945	1.5
137.09602	68.1
138.09956	1.6
139.07539	1.9
142.07768	1.3
143.08527	4.0
143.90958	1.2
145.10104	5.0
147.07986	3.8
147.11668	2.8
149.09592	6.1
151.07524	45.2
151.08748	2.4
153.05447	5.4
155.08578	1.8
156.09317	1.7
157.10106	3.3
159.08040	3.5
159.11674	4.6
161.09641	6.4
161.13269	2.7
163.07513	1.5
163.11166	3.4
165.09093	5.5
167.07037	1.5
169.10088	1.7
171.11664	3.5
173.09610	3.0
173.13248	3.1
175.11110	2.5
177.09135	2.5
179.10545	1.2
181.08580	4.3
181.12270	2.6
182.10873	1.0
183.11653	3.5
187.11075	2.5
189.12717	17.1
191.10487	1.3
191.14275	1.8
197.13258	2.0
199.11160	3.4
201.12743	2.6
205.12239	1.4
207.11703	1.6
207.13757	13.3
215.14297	2.1
217.12187	1.7
219.13841	1.5
221.15279	2.4
225.12708	1.2
237.14775	4.4
243.13741	8.2
256.26297	6.9
261.14838	3.5
263.18073	1.4
269.13858	1.1
281.18839	1.9
281.26721	1.6
299.16724	1.8
299.20026	9.8
299.27750	1.7
317.06674	1.4
317.21066	100.0
317.28714	6.8
318.21448	6.3
318.30008	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36256	0.2
55.01862	0.3
55.05486	0.3
56.05022	0.3
57.03422	0.6
61.02904	0.7
67.05502	0.3
69.03411	1.6
69.90931	1.1
70.06574	0.4
71.56579	0.2
72.08138	0.3
73.02913	0.5
81.03394	0.7
82.06568	0.7
83.20629	0.2
84.04470	0.6
84.08142	0.2
85.02898	6.0
86.09689	0.8
87.04448	0.5
91.03948	0.3
95.04953	0.6
95.08586	0.3
96.08128	0.3
97.02888	1.5
99.04405	0.3
102.05561	0.2
106.17399	0.2
107.04954	0.3
109.02869	0.7
110.06036	0.8
110.07141	0.3
110.09637	1.0
127.03931	1.1
135.04497	0.2
138.05502	3.4
138.09125	12.6
139.03883	1.5
139.09590	0.2
145.04965	0.6
147.04341	0.2
151.03925	0.2
152.04202	0.3
156.06714	2.4
156.10184	100.0
157.08469	0.2
157.10558	2.5
163.03845	0.3
180.03658	0.2
189.12164	0.2
198.04803	0.2
198.11263	0.4
201.12398	0.5
211.08662	0.2
232.29982	0.2
293.31964	0.2
318.11746	0.6
318.15472	5.1
319.13574	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2106
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03936	1.0
55.05503	6.4
57.07065	8.2
58.06573	1.3
59.04980	2.3
67.05148	1.2
67.05492	19.2
69.03403	2.9
69.07042	2.3
70.06576	10.1
71.04961	2.3
71.08602	2.1
76.47546	0.8
79.05472	4.2
81.03401	0.9
81.07047	10.9
83.04945	2.7
83.08600	2.6
85.06528	1.7
88.07119	1.5
88.07611	16.2
91.05447	6.5
93.06627	0.7
93.07034	7.7
95.04948	12.7
95.08579	7.3
97.06507	3.4
102.09155	11.6
105.07006	8.6
106.50549	0.8
107.08575	18.1
109.06506	8.3
109.10136	34.0
110.10517	0.9
111.08095	0.9
113.09583	1.0
113.56278	0.8
117.07005	1.8
119.08560	24.5
121.06488	2.7
121.10123	4.9
123.08043	11.0
123.60513	0.7
125.06039	0.9
125.09609	1.3
128.06154	0.8
131.08519	3.1
133.06459	1.6
133.10129	5.2
135.08046	4.8
135.11632	2.0
137.05984	1.5
137.09593	27.4
143.08511	1.4
145.10107	4.5
147.08017	1.9
147.11661	3.2
149.09563	2.4
151.07507	25.9
152.07825	1.1
153.05493	1.7
155.08556	1.0
156.09309	1.1
157.10089	2.2
159.07979	1.2
159.11652	2.6
161.09546	4.0
163.11176	2.1
165.09076	2.7
167.07019	0.8
169.10158	0.9
171.11626	2.8
173.09659	1.2
173.13222	1.7
175.11139	1.1
177.09100	1.4
179.10707	1.0
181.08566	2.2
181.12213	1.5
183.11711	1.7
185.13206	0.8
187.11148	1.6
189.12708	10.2
191.14220	1.1
197.13179	1.3
199.11084	1.0
203.14273	1.7
207.13777	11.8
211.14787	1.0
215.14215	1.1
217.12262	0.9
221.15327	2.4
225.12541	1.0
233.15321	2.2
237.14740	2.6
241.15681	1.3
243.13783	3.0
256.26315	34.9
261.14859	1.8
262.14316	0.9
275.20261	0.8
299.19992	6.9
300.28671	1.8
317.21060	47.7
318.22015	4.5
318.29977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67360	2.3
53.03931	3.4
55.01860	5.8
55.05501	11.9
57.03424	7.1
57.07074	15.6
61.02905	6.5
67.05501	31.5
69.03423	25.4
69.07055	30.3
70.06576	4.9
71.08634	3.4
71.67249	4.2
73.02917	3.7
73.06532	3.3
79.05499	14.3
81.03413	10.8
81.07047	100.0
83.04963	10.6
83.08609	10.9
85.02898	26.6
85.06535	77.1
86.09666	4.0
91.05454	12.8
93.07030	21.5
95.04962	16.6
95.08597	82.5
97.02886	22.3
97.06522	10.6
99.08086	22.0
103.03921	6.4
105.07017	14.2
107.04924	7.1
107.08569	19.4
109.06492	9.5
109.10140	16.0
111.04434	7.4
111.11715	8.8
115.07589	4.0
117.07065	4.0
119.08582	10.6
120.08119	3.6
121.06502	7.1
121.10135	10.9
123.04424	19.9
123.08050	11.8
123.11700	3.2
125.05972	4.4
127.03901	3.5
131.08583	6.2
133.10114	6.5
135.04433	3.9
135.08034	5.4
135.11650	6.1
137.05951	10.8
137.09579	3.8
137.13232	60.6
138.05470	2.8
138.13579	2.7
139.11182	9.6
145.10098	2.8
147.04411	6.8
147.08046	3.3
147.11673	5.8
149.09637	6.6
149.13258	6.6
153.01791	3.3
153.05504	4.4
153.12759	6.8
155.07037	4.1
155.14304	4.8
157.10086	2.7
157.13643	2.7
159.11684	7.1
161.13252	3.2
163.03917	4.1
165.01865	3.8
165.05495	23.5
165.06837	4.2
165.09116	3.7
165.12776	5.6
167.14291	3.8
174.13152	2.4
175.14795	3.7
177.05615	4.3
179.14288	5.8
183.10106	4.5
187.03888	4.3
189.09079	3.3
191.14389	3.1
197.15361	3.4
203.31187	3.2
215.03363	4.1
221.15379	4.7
233.15381	6.7
239.16379	13.8
243.02922	5.4
245.15346	7.4
251.16449	9.8
261.03922	6.0
263.16415	9.0
271.02267	8.9
271.05057	7.4
281.17572	11.9
289.03384	4.9
299.01901	6.6
299.05341	3.2
299.09482	3.1
317.02829	21.8
317.06500	27.7
317.10370	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	317.2107
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
50.84461	1.0
51.02368	0.9
53.03938	1.6
55.01865	2.9
55.05502	13.4
56.57129	0.8
57.03423	1.1
57.07069	6.1
59.04972	3.1
60.04518	7.0
65.03920	1.2
67.05496	53.7
69.03419	3.5
69.07066	4.8
69.07386	0.9
69.62643	8.8
70.06561	3.1
71.04964	1.4
79.05480	8.2
81.07047	25.1
82.07362	1.0
83.04953	2.8
83.08590	1.2
85.06524	2.9
88.07623	4.5
91.05465	13.8
93.07028	15.2
95.04958	24.4
95.08596	17.9
96.08934	0.9
97.06525	4.6
98.21443	1.4
102.09143	3.2
105.07009	14.3
107.04944	1.6
107.08585	38.2
109.06506	19.2
109.10143	89.7
110.10487	1.4
111.04431	1.9
111.08067	1.1
113.06010	1.8
113.91499	0.9
117.07041	4.5
117.07711	1.1
119.04915	1.0
119.06116	1.2
119.08568	50.5
120.08855	1.5
121.06482	4.3
121.10115	7.5
123.04409	0.9
123.08055	18.1
123.11689	1.6
125.05993	2.8
128.06302	1.2
131.08559	6.2
133.06454	2.8
133.10091	7.6
133.51689	1.0
134.28218	1.0
135.08046	10.8
135.11630	3.0
137.05992	1.9
137.09596	70.6
138.09908	2.2
139.07484	1.6
142.07794	0.9
143.08530	4.4
145.10109	8.1
147.08029	4.6
147.11659	3.1
149.06029	1.0
149.09583	6.1
151.07524	44.1
151.11148	1.0
152.07823	1.5
153.05464	4.3
155.08554	2.0
156.09317	1.6
157.10130	3.9
159.08040	3.2
159.11638	3.2
161.09634	7.7
163.07607	1.9
163.11177	4.4
165.09091	6.4
167.07043	1.9
171.11667	5.6
173.09608	3.4
173.13243	4.2
175.11131	2.2
177.09105	4.9
177.12648	1.4
181.08572	5.3
181.10049	1.9
181.12199	4.0
183.11609	2.9
185.13240	1.4
187.11208	2.4
187.14796	1.5
189.12712	18.8
190.13116	1.6
191.10664	2.4
191.14294	1.3
192.11356	1.1
197.13263	2.8
199.11191	2.5
201.12659	1.6
203.14238	2.4
207.13779	15.7
208.14307	1.1
215.14322	3.1
217.12317	1.4
219.13849	1.9
221.15308	2.4
225.12764	1.6
233.15378	1.6
237.11125	1.8
237.14745	5.3
243.13750	8.3
256.26334	9.1
261.14850	3.7
269.13849	2.3
271.20926	1.2
281.18954	2.6
281.26901	1.3
299.16620	1.9
299.19928	9.2
317.21082	100.0
317.28793	4.0
318.21460	8.4
318.29971	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.1
53.03927	0.5
55.01856	0.4
55.05487	0.2
57.03421	0.1
57.07051	0.3
65.03928	0.2
67.01484	0.1
67.01846	1.9
67.05496	0.6
69.07062	0.6
70.04330	0.4
71.04932	0.1
74.09701	0.1
79.05483	0.6
81.03397	0.2
81.07045	0.9
83.01318	1.7
86.53186	0.1
91.05455	1.0
93.03379	0.3
93.07027	2.6
95.04957	0.6
95.08611	0.4
97.10146	0.1
98.21329	0.1
99.00791	0.3
102.00941	0.1
103.05434	0.3
105.07029	0.4
107.04955	0.2
107.08577	2.6
109.02840	0.2
109.06491	0.5
109.10126	1.0
111.04424	0.2
119.08560	0.2
121.02832	0.6
121.06484	2.3
121.10107	0.2
123.04440	0.5
123.11686	2.9
125.05962	0.1
127.03887	0.3
131.04887	0.2
131.08592	0.1
133.10123	0.1
135.04367	0.2
135.08049	0.2
135.11671	4.3
136.11949	0.1
137.02275	0.1
137.05943	0.1
139.03880	3.4
145.06366	0.1
145.10045	0.1
145.62621	0.1
149.05957	5.9
153.05429	1.0
159.04370	0.2
159.08012	0.2
163.07513	0.1
165.05408	0.3
167.05714	0.1
167.07013	1.3
173.09534	0.1
177.05441	32.4
178.05763	1.1
179.03343	0.2
179.06949	0.1
183.06494	1.6
187.07425	0.2
191.06955	0.4
193.04984	0.1
193.08575	0.1
195.06499	100.0
196.06837	3.2
201.05406	0.3
205.08563	0.2
207.06503	0.2
209.08018	0.8
215.06999	0.5
217.08505	0.2
219.06564	0.6
219.10129	0.3
221.07939	0.1
223.09554	0.1
229.08595	0.1
231.50560	0.1
233.08058	1.2
233.11659	0.2
235.09575	0.2
237.11134	0.1
243.10037	0.1
247.09570	0.1
247.27478	0.1
249.11171	0.2
260.94305	0.1
261.11176	0.7
271.16660	0.1
275.12564	0.1
299.16245	0.4
299.19598	0.1
312.52829	0.1
317.17422	10.1
318.17859	0.7
323.17792	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	317.0652
Annotation	Tamarixetin
Peak:m/z	Relative Intensity
55.01863	0.9
55.05489	0.7
57.03408	0.4
67.05492	0.8
68.99776	0.7
69.03423	3.8
69.07040	0.8
70.93850	1.3
71.84303	0.4
79.05464	1.0
81.07052	2.1
83.04977	0.7
85.02887	1.4
91.05456	1.6
93.07032	1.7
95.04935	0.9
95.08593	1.3
97.02873	0.4
97.06499	0.7
105.03364	0.5
105.07028	0.9
107.04935	0.5
107.08569	1.0
109.06510	0.6
109.10142	0.7
111.04444	0.4
119.04936	1.5
121.06481	0.6
121.10167	0.5
123.04414	10.0
123.05257	0.6
131.08604	0.4
133.10110	0.6
135.04347	0.6
135.11688	1.1
137.02318	0.9
137.05936	2.5
137.09569	0.6
139.03867	3.9
141.01779	1.2
141.05450	0.9
144.83199	0.4
147.04381	3.9
149.05975	0.9
149.09637	0.4
151.03804	0.5
151.07523	1.1
153.05434	1.4
157.06421	0.4
159.11636	0.5
161.05965	1.7
165.01804	4.1
165.05467	19.3
166.05835	0.4
167.03325	0.4
173.05971	0.4
175.07523	0.9
177.05534	1.0
177.12737	0.5
179.03363	0.5
179.07039	1.1
181.69737	0.4
183.02884	5.7
189.05441	0.6
195.06432	0.6
195.10164	0.6
200.04678	0.5
204.04225	0.4
207.06520	1.3
213.05580	0.4
214.06190	1.2
215.07024	1.0
217.04912	1.3
218.05690	0.8
221.06059	0.5
225.05475	0.8
228.04158	4.2
229.04907	1.5
232.03641	0.5
233.08057	0.6
241.04935	2.0
242.05695	1.6
243.06516	12.7
244.06764	0.4
245.04408	6.2
246.05170	1.5
247.06036	1.2
256.03668	1.6
257.04376	0.5
259.02222	0.7
259.06058	1.0
261.07526	0.9
269.04251	0.8
270.05200	6.7
271.05991	14.9
271.09113	0.6
272.06345	0.7
273.03922	1.9
274.04684	14.1
275.04956	0.8
284.03146	5.6
285.03894	0.6
286.51575	0.4
287.05579	0.5
288.06284	1.5
289.06982	1.6
299.05508	7.4
299.08832	0.6
299.12631	0.5
317.06552	100.0
317.10147	8.5
318.06955	5.8
318.10446	0.4
333.72482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1376
Annotation	Monocillin II
Peak:m/z	Relative Intensity
53.03936	2.3
55.05488	2.9
57.07056	4.7
67.01868	10.9
67.05500	3.8
69.03409	6.3
69.07047	2.5
70.06600	8.6
70.93485	6.0
74.85281	1.6
77.73904	1.7
79.05471	3.9
81.07052	6.2
83.01321	3.0
83.04955	3.9
83.94670	1.8
84.40922	1.9
85.19050	1.7
86.90934	1.5
88.03977	7.5
88.07620	7.8
91.05458	9.8
93.07034	17.0
95.01327	4.7
95.04951	4.2
95.08601	5.7
97.02872	2.2
99.04454	2.4
102.09174	6.7
105.07002	12.2
107.04974	2.4
107.08571	7.5
109.06477	5.5
109.10162	4.5
109.59492	1.4
111.47206	1.6
113.02354	1.8
113.73526	1.6
115.05450	2.7
117.06973	4.8
119.04966	2.5
119.08555	12.0
121.02835	2.5
121.06490	2.7
121.10109	13.2
123.08027	2.8
127.03914	2.6
128.06215	7.6
129.06969	7.3
131.03345	1.7
131.08554	9.3
133.06508	2.2
133.10115	3.8
135.08038	3.8
135.11649	3.2
136.50897	1.8
137.09613	4.8
141.06992	4.8
143.03395	2.3
143.08566	11.7
145.04900	4.4
145.06497	4.8
145.10136	8.1
147.08023	9.5
147.11687	6.3
148.15274	1.8
149.02275	3.1
149.09628	3.0
150.11279	2.6
153.07001	3.6
154.07808	4.1
155.03398	3.0
155.08524	4.7
156.09378	3.7
157.06473	20.5
157.10098	8.7
158.07033	2.3
159.08022	3.1
159.11633	3.4
161.05923	2.3
161.09666	8.6
163.03978	2.1
165.07033	4.4
167.03339	19.1
167.08498	2.9
168.09386	2.1
169.05016	1.6
169.10114	7.4
171.08026	100.0
171.11652	31.0
172.08427	6.0
173.06009	1.9
173.09636	8.9
175.07509	2.4
175.11130	3.2
177.05513	2.5
178.07736	2.9
179.08415	2.7
179.10646	3.9
180.09288	4.3
181.04912	8.0
181.06396	3.8
182.07356	2.5
183.08076	3.3
183.11687	7.6
185.09586	3.6
187.07491	7.2
187.11183	3.9
189.09081	49.6
189.12680	18.1
193.10126	2.8
195.06493	3.5
195.11687	4.2
196.08826	5.5
197.04414	4.4
197.09630	7.6
199.07503	7.3
199.11180	5.8
201.05443	2.4
201.09138	4.1
201.12711	2.4
203.07098	2.8
211.11192	18.0
213.09103	4.5
213.12721	2.0
214.09818	1.7
215.07065	4.8
215.10590	9.8
221.07851	2.1
221.09685	2.4
225.05505	2.2
225.09082	17.4
225.12675	1.8
227.07010	5.1
229.08566	4.9
229.12158	10.6
230.24898	2.5
231.02763	2.1
231.10098	1.9
233.04317	2.9
239.10652	50.4
240.10954	3.8
241.08627	6.4
241.12181	4.0
243.06508	2.3
243.10112	13.9
245.08075	1.9
247.13419	2.1
253.08577	2.3
253.12152	3.1
256.26315	23.0
257.07947	3.4
257.11688	35.1
258.12140	3.7
259.09616	2.6
261.11234	5.0
267.10107	24.1
271.10178	2.3
271.13269	8.4
275.12772	7.1
285.11182	36.9
286.11359	2.0
289.14554	3.4
299.12735	30.3
299.16058	2.6
299.20032	3.2
303.12161	17.4
317.06427	2.9
317.13815	92.7
317.17197	3.7
317.21210	3.6
317.28027	26.6
318.14133	6.7
318.30069	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	316.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32674	0.3
53.03931	0.3
54.36943	0.4
55.01867	0.9
55.05505	5.2
56.05030	4.2
57.03424	0.5
57.07073	1.8
60.04517	100.0
61.04852	0.7
67.05134	0.6
67.05495	11.2
67.29393	0.3
68.05012	0.6
68.05878	0.4
69.03399	0.4
69.07059	5.2
69.46757	2.8
69.47169	1.1
70.06580	0.8
71.04974	0.4
71.08624	0.7
72.04509	2.1
74.06065	2.7
79.05491	4.1
80.05007	1.0
81.03405	0.4
81.07046	9.7
82.06570	1.4
83.04967	0.7
83.08603	3.8
85.10170	0.3
86.06070	0.7
87.04478	0.7
90.05545	1.2
91.05461	2.7
93.07032	4.2
94.06555	0.9
95.04953	1.9
95.08598	8.0
96.08126	0.8
97.06540	0.6
97.10174	2.4
98.06047	0.6
100.07624	0.4
105.06417	0.3
105.06969	1.8
107.08588	4.0
109.06508	1.1
109.10144	6.9
111.11709	0.6
112.07613	0.5
119.08553	3.7
121.10123	2.3
122.09628	0.6
123.08078	1.2
123.11727	1.2
133.10114	1.6
135.08034	0.4
135.11674	1.0
137.09595	4.1
137.13208	0.6
147.11662	0.6
151.07526	2.1
159.11700	0.5
169.50388	0.3
171.11682	0.4
188.57339	0.4
189.12733	1.3
207.13861	0.6
233.22746	0.4
236.23665	0.3
237.14856	0.4
243.13811	0.4
245.22562	0.5
250.25320	1.1
262.25198	1.6
263.23788	0.4
268.26318	0.9
280.26318	12.6
281.26807	0.6
298.27368	13.8
299.20172	0.4
299.27585	0.7
316.28427	61.6
317.21088	4.8
317.24643	0.5
317.28784	3.3
332.66040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03932	0.5
55.01863	0.5
55.05507	4.2
55.69862	0.3
56.05030	4.1
57.03430	0.9
57.07068	1.3
58.02953	0.4
60.04519	100.0
61.04845	0.5
62.52605	0.3
66.39513	0.3
67.05495	8.2
67.52351	0.3
68.05020	1.0
69.07061	5.5
69.52991	1.0
69.53415	2.6
70.06578	0.8
70.85808	0.3
71.04975	0.4
71.08629	0.9
72.04514	1.6
74.06075	2.5
79.05472	3.1
80.05019	0.9
81.03426	0.6
81.07046	8.0
81.07494	0.5
82.06573	1.4
83.04935	0.3
83.08608	3.9
84.04504	0.6
84.08110	0.4
85.10151	0.4
86.06050	0.6
87.04495	0.4
90.05560	1.4
91.05469	2.8
93.07043	3.8
94.06557	0.7
95.04970	1.2
95.07376	0.5
95.08591	6.6
95.09135	0.6
96.08127	0.9
97.06535	0.7
97.10157	1.9
100.07632	0.5
105.06995	1.7
107.08566	1.9
109.10140	5.6
110.09672	0.4
112.07612	0.5
116.07046	0.5
119.08563	2.9
120.04816	0.3
121.10143	1.8
123.08105	1.1
123.11738	1.1
126.09035	0.4
133.10150	1.1
135.11670	1.0
137.09616	2.1
137.13271	0.6
149.13277	0.5
151.07550	1.3
189.12724	0.6
201.02025	0.4
221.22751	0.6
236.23755	0.4
245.22856	0.6
250.25374	0.9
256.26544	0.4
262.25305	1.0
263.23648	0.5
268.26450	1.0
280.26294	10.4
280.29202	0.6
281.26758	0.7
297.55048	0.4
298.27383	15.1
299.20078	0.4
299.27689	1.0
316.28433	58.3
317.21051	2.8
317.28714	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12099	2.0
52.39084	1.9
53.03923	2.4
55.01858	6.1
55.05506	10.0
57.03432	10.3
57.07034	2.6
59.04991	3.6
61.02906	5.5
64.72547	2.2
65.03916	2.2
67.05489	17.0
69.03423	21.2
69.07069	10.1
70.06574	2.5
70.26718	10.4
70.27089	4.0
71.04971	8.5
73.02902	7.0
73.43333	2.2
77.03924	2.0
79.05478	18.5
79.10809	2.1
81.03410	12.4
81.07049	35.0
83.04971	9.8
83.08626	2.3
85.02895	53.4
85.06537	3.0
86.09683	4.0
91.05482	18.6
93.07033	88.4
95.04951	13.1
95.08599	39.0
97.02879	13.3
97.06525	6.6
99.04446	8.0
103.03925	6.0
105.03372	6.7
105.07021	29.2
107.04924	6.6
107.08582	100.0
108.08915	3.0
109.02852	5.7
109.06530	13.2
109.07126	2.3
109.10147	9.7
111.04438	5.2
115.03902	4.1
117.07000	5.8
119.08575	19.4
121.06489	6.0
121.10140	7.8
123.04420	6.6
123.08068	5.9
123.11713	3.7
127.03899	7.0
127.06570	1.9
129.06802	2.6
130.04962	2.4
131.08562	8.5
133.04959	4.9
133.06458	3.5
133.10124	10.1
135.04375	12.0
135.11674	77.6
136.11961	2.4
137.02315	3.4
137.13243	8.4
141.05461	2.4
142.07758	5.7
143.08556	5.3
145.04918	4.7
145.06459	3.2
145.10114	10.4
147.07988	5.1
147.11664	8.0
149.09711	2.2
149.13217	2.5
151.11134	5.2
153.05476	4.6
153.12721	25.7
157.10094	6.8
159.08018	3.8
159.11678	8.2
161.06047	2.5
161.09560	4.7
163.11214	6.1
165.09123	14.7
165.12749	28.6
169.07654	2.4
171.11671	4.6
173.09662	3.3
175.11118	4.7
177.05478	3.1
177.09074	4.6
177.12735	7.4
183.11601	2.7
185.09546	2.5
185.12991	2.4
189.12746	3.4
191.03323	2.6
192.93216	2.2
193.12183	4.2
195.02844	8.2
195.10121	4.8
201.05511	2.2
201.12747	4.7
219.13846	6.6
223.07603	2.9
231.13759	6.0
240.08859	2.5
243.13774	6.0
249.14735	2.6
259.10754	5.9
261.14749	14.9
279.13138	2.1
279.15829	14.3
283.09637	3.9
297.16959	10.5
300.02524	4.2
315.05048	24.3
315.08591	4.5
315.13510	8.7
315.17975	18.5
316.05191	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Stemofuran Q
Peak:m/z	Relative Intensity
55.05486	0.9
55.26869	0.5
59.04965	0.4
67.05478	1.7
68.99770	1.4
69.07059	38.6
69.76984	3.9
71.04989	0.6
79.05463	0.9
81.07026	1.2
87.54797	0.5
91.05462	1.1
93.07018	1.5
95.08557	1.2
98.20696	0.9
105.03398	1.0
105.07014	1.9
105.72960	0.6
107.08499	1.0
109.10161	0.7
119.08550	1.0
121.02840	2.3
121.06440	0.9
121.10080	1.0
121.35299	0.5
133.10069	0.9
135.08026	0.7
143.08527	0.7
145.10074	1.4
147.11662	1.0
153.01816	14.1
157.10097	0.7
160.05092	0.5
161.05937	1.4
164.39668	0.6
171.08101	0.7
173.09595	0.8
175.11256	0.6
183.04298	0.7
189.05435	4.6
194.06973	0.6
201.05418	1.0
205.04900	1.4
213.05400	0.8
217.04935	37.9
218.05463	1.4
219.06468	1.5
229.04932	9.2
231.06500	7.9
241.05009	1.5
243.06667	0.6
245.04448	12.2
245.11716	0.6
247.05997	100.0
248.06454	3.1
255.06436	0.7
257.07980	1.1
259.05997	12.4
263.05463	1.4
281.08008	0.7
295.09656	1.0
297.11227	22.0
297.14587	1.5
298.11594	1.1
315.12225	70.6
315.15424	2.4
315.19638	2.4
316.12552	3.2
331.45651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	p-Hydroxyphenethyl trans-ferulate
Peak:m/z	Relative Intensity
52.91131	0.4
53.03931	1.8
55.01860	1.8
55.05497	1.0
57.03421	1.4
57.07052	0.9
61.02919	0.9
67.05497	3.2
67.14699	0.4
68.99780	2.0
69.03421	2.5
69.07058	2.3
70.86488	0.8
70.86864	0.9
71.01347	0.6
71.04993	3.3
73.02900	0.6
77.03923	0.5
79.05478	3.2
81.03399	1.4
81.07043	16.3
83.04967	1.2
85.02889	9.7
85.06541	0.5
91.05454	2.1
93.07035	4.4
95.04959	5.0
95.08595	6.6
97.02882	2.3
97.06516	2.0
99.04439	1.0
103.03931	2.3
103.05433	0.7
105.03377	100.0
105.07001	2.3
106.03707	1.6
107.04943	8.4
107.08575	4.7
109.02851	1.1
109.06537	0.7
109.10136	2.5
111.04431	2.3
115.05466	0.5
117.06982	1.0
119.08558	2.3
121.02878	0.5
121.06496	2.3
121.10118	1.0
123.04411	3.4
123.08063	2.0
125.09601	4.7
127.03883	1.5
131.04907	1.2
131.08516	0.8
133.06473	2.0
133.10133	0.9
135.04396	26.0
135.07977	0.8
135.11676	3.1
137.05954	1.7
137.09557	1.2
137.13251	3.2
139.03859	0.8
143.08603	0.6
145.06487	1.0
145.10062	0.5
147.04361	3.6
147.07986	0.5
147.11676	0.7
149.05959	3.0
149.09601	0.8
151.03882	1.2
151.07509	4.4
153.05441	10.1
153.09067	3.7
153.12701	0.5
161.06003	0.9
161.09532	0.7
163.03920	0.9
163.11154	0.7
165.09091	35.9
165.12805	1.2
167.03397	1.2
173.05914	0.9
173.09674	0.5
175.03920	1.0
177.05478	4.3
177.09074	10.5
185.04466	2.7
189.05460	1.4
189.09117	2.4
191.03377	20.3
191.07007	1.0
191.10545	0.4
195.08257	1.0
195.10118	12.6
201.05424	3.3
205.08606	0.5
219.06746	2.6
219.10135	7.3
222.06752	0.4
225.74890	0.4
231.10130	0.7
237.07487	0.8
243.10205	1.3
245.08012	3.5
249.11182	3.0
255.10278	0.7
261.11218	3.1
269.07986	0.4
269.09039	0.6
269.11639	4.2
270.01877	0.4
279.12277	2.3
279.15521	0.5
283.09579	1.6
297.11057	10.3
297.16876	0.8
315.05136	0.9
315.08542	0.8
315.14249	7.3
315.18353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.4
55.01858	2.4
55.05493	1.4
57.03420	2.2
57.07055	1.0
61.02898	1.1
67.05490	4.4
68.99797	1.3
69.03403	2.0
69.07052	2.4
71.04980	2.6
71.24701	2.1
73.02901	1.2
77.03902	1.3
79.05479	4.4
81.03393	2.4
81.07047	20.7
83.04961	1.4
85.02892	14.0
85.06523	1.1
86.09701	0.7
91.05470	3.6
93.07030	7.1
95.04945	4.6
95.08587	8.6
97.02884	3.8
97.06512	2.6
103.03930	3.2
103.05419	0.8
105.03378	100.0
105.07013	2.9
106.03712	3.2
107.04935	13.5
107.08575	5.5
109.02869	2.2
109.06508	1.1
109.10149	3.2
109.95942	0.7
111.04448	4.4
117.07012	2.0
119.08550	2.4
121.06497	3.1
121.10111	1.2
123.04382	5.5
123.08074	1.8
125.09609	5.0
127.03893	1.4
131.04837	1.6
133.06494	1.8
133.10109	0.9
135.04398	41.8
135.11656	5.8
136.04680	0.9
137.05962	2.1
137.09590	1.8
137.13260	3.8
141.09132	1.1
145.04956	1.0
145.06487	1.1
145.10098	0.9
147.04407	4.3
149.05974	3.1
149.09578	1.2
151.03906	2.0
151.07527	4.2
153.05450	11.0
153.09055	5.5
153.12726	2.0
159.11598	1.1
161.05919	1.3
163.02513	0.8
163.03859	1.6
163.07503	0.8
163.11177	1.2
165.09091	48.3
165.12720	1.8
166.09450	2.2
167.03369	1.4
173.06009	2.4
175.03952	1.3
177.05429	7.8
177.09064	16.5
185.04492	2.2
189.05464	1.8
189.09096	3.0
191.03354	21.4
191.07069	1.4
192.03694	1.2
193.08450	1.0
195.08311	1.1
195.10144	21.5
201.05473	3.4
208.05278	0.8
215.10680	0.8
219.06500	3.0
219.10135	11.4
229.04832	0.8
231.10150	1.4
237.07471	1.1
243.10231	2.1
245.08131	3.1
249.11212	3.3
261.11334	5.1
261.14252	0.8
269.11725	3.6
279.12311	3.3
279.15698	1.7
283.09647	2.3
297.11026	11.1
297.16647	1.1
315.05167	1.2
315.08542	1.1
315.14749	11.8
315.18295	1.6
316.14413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.9
61.02930	0.8
69.03407	1.7
71.10822	1.2
71.11169	0.7
73.06547	49.2
85.02891	8.8
89.05449	1.0
89.06016	20.7
94.75178	0.6
95.37772	0.6
97.02881	2.6
106.41688	0.6
109.02876	1.0
109.57546	0.6
117.09068	3.8
127.03883	1.4
135.10152	100.0
136.10515	1.5
145.04938	1.7
152.01666	1.5
152.07066	0.8
188.44530	0.5
226.18076	0.6
248.02527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1044
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
53.03942	0.5
55.05508	0.6
56.96544	1.0
57.03414	0.6
57.28265	0.4
59.04998	3.1
60.05311	1.3
66.25060	0.4
69.03417	1.1
69.07061	1.1
69.27231	0.4
70.06569	1.2
71.79506	0.4
79.05478	1.4
81.03397	0.6
81.07068	0.6
85.02885	3.3
86.09702	0.6
91.05464	1.1
93.07029	0.8
95.04922	0.8
95.08610	0.8
97.02886	1.7
97.67457	0.5
98.97578	0.9
107.04929	1.7
107.08564	0.8
109.10162	0.6
111.04404	0.5
117.06974	0.5
117.09126	0.8
118.09480	0.7
119.01919	1.5
119.08592	0.5
120.08108	1.5
121.10165	0.6
123.04392	0.5
127.03877	1.6
131.01869	0.6
133.10193	0.5
135.04399	1.9
135.08000	0.5
135.10156	0.8
135.11700	0.7
138.09129	0.7
143.01930	0.6
145.04933	0.6
145.07140	0.9
145.10129	0.6
146.03534	0.4
153.05251	3.9
153.06505	1.2
154.08643	0.8
156.10196	0.8
161.02960	0.9
163.03835	2.6
173.02962	0.8
173.09552	0.8
181.04947	0.6
185.04198	0.8
186.98944	0.5
189.06110	1.2
195.07811	0.7
213.05992	2.4
225.06163	1.0
255.06970	0.5
297.18011	0.6
315.10452	100.0
315.19278	3.9
316.10861	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1044
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
50.27717	0.4
55.08209	0.4
56.96552	2.5
57.03412	1.0
61.02909	0.6
67.05462	0.5
69.03408	1.9
70.04358	2.2
70.04765	0.9
70.06569	0.6
73.02876	1.0
84.95980	0.6
85.02882	2.8
85.19570	0.4
87.04453	0.8
97.02873	2.9
98.03203	0.8
98.97549	3.2
99.04401	0.6
101.00864	0.6
116.98581	1.7
119.01909	2.7
127.03893	1.5
127.27216	0.4
128.98558	0.6
131.01868	1.0
134.99634	1.0
135.04407	0.6
136.06137	3.6
137.06502	1.8
143.00098	0.6
143.01878	1.1
145.03447	0.8
145.05025	0.6
145.07033	0.7
149.02924	0.4
153.05217	3.6
153.07426	0.5
158.99573	0.8
159.05124	0.7
161.01247	0.6
161.02902	1.4
163.03902	2.9
164.07027	1.9
168.06355	0.5
173.02968	1.3
177.00714	0.8
177.99461	0.4
185.01106	0.7
185.04218	1.3
187.04488	1.2
189.00635	0.9
189.06081	1.2
191.03857	0.5
197.02884	0.9
203.05345	2.7
213.00153	1.9
213.03329	0.5
213.06078	1.2
215.04012	0.6
219.01714	0.7
222.03867	0.9
225.07013	1.0
231.01364	0.9
237.00531	0.5
237.02820	0.6
249.02773	0.7
255.07356	0.6
275.06149	1.6
292.04022	0.8
315.10446	100.0
316.10947	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	314.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05497	0.8
56.96556	12.3
57.03430	2.1
57.07066	0.4
57.84554	0.3
59.05008	0.6
61.01140	1.0
61.02910	2.3
62.06087	0.9
65.03921	0.4
67.05489	0.8
69.03423	6.6
69.07055	1.2
70.06585	1.4
71.04982	8.6
71.13627	0.5
71.13993	1.0
73.02912	1.7
79.05483	1.2
81.03400	2.0
83.04976	0.6
84.04504	0.8
84.08152	0.4
84.96005	1.7
85.02892	18.0
87.02695	0.4
87.04444	0.9
89.03903	5.1
89.06017	71.6
90.06343	0.9
90.73188	0.3
91.03959	0.8
91.05466	3.3
92.05000	0.6
93.05713	0.5
95.04949	0.7
95.06092	0.6
97.02878	44.4
98.03229	0.8
98.97568	6.5
99.04440	2.5
99.08070	1.0
103.18161	0.4
107.04932	2.0
108.08113	3.1
109.02895	1.6
110.07152	0.4
110.97562	0.8
111.04400	0.6
112.07587	0.8
112.99141	0.4
113.02354	0.5
116.98608	6.4
117.03344	3.4
117.05453	0.9
117.09138	0.4
119.03549	0.4
119.04933	5.4
121.02821	0.4
123.04382	0.4
123.06818	0.6
124.07509	0.3
124.99119	1.5
127.03900	3.5
128.98587	1.1
130.05003	0.7
131.00185	0.8
131.01915	0.4
131.24570	0.3
134.05995	0.6
134.09636	2.9
134.99644	6.0
135.04410	8.2
135.06505	34.6
135.10127	0.8
136.06161	100.0
137.04590	0.5
137.05705	0.5
137.06596	1.1
139.03964	0.3
140.00154	0.5
140.07053	0.8
141.02208	0.5
143.00150	6.1
143.01608	2.1
144.00467	0.9
144.98022	0.3
145.01703	0.7
145.02771	4.8
145.04944	2.6
146.99614	1.3
147.04385	16.9
147.07596	0.5
148.04799	0.4
148.06163	0.6
149.01228	0.9
152.07079	3.4
152.09273	0.6
152.10696	6.1
153.00652	0.9
153.05362	0.7
153.06587	0.8
155.04643	0.8
157.01706	0.4
158.01234	0.8
158.99699	2.1
159.03261	1.2
161.01205	8.5
161.02704	2.2
161.04622	0.6
162.01535	1.1
162.07715	0.5
163.03886	41.3
163.06091	1.0
164.04210	4.2
164.05646	4.4
164.06950	0.4
165.04315	0.4
167.00165	0.5
168.06520	2.2
169.01689	1.0
170.99655	1.4
173.01202	0.4
174.04460	0.4
175.02736	0.6
176.02322	0.5
177.00723	2.9
177.04257	0.5
178.07243	2.4
179.02238	0.9
179.03693	2.6
180.08702	0.6
181.04988	0.9
184.54308	0.4
185.01239	2.1
185.02670	0.4
186.04318	1.1
186.99089	0.6
187.02812	1.7
189.00656	3.3
189.04323	0.6
191.11479	0.4
194.99658	0.8
195.01669	0.4
203.02229	2.1
203.03894	0.6
203.07642	0.4
204.02504	0.5
204.05417	1.3
205.00104	0.5
205.03821	0.7
207.01700	0.5
209.39386	0.4
211.14345	0.5
212.02483	0.5
213.00668	2.5
219.01767	1.8
220.08263	0.4
221.03288	0.7
227.06705	0.5
229.03706	0.8
230.98152	0.5
231.01714	2.7
232.02069	0.6
237.00656	0.7
237.02777	3.9
248.07724	0.7
248.99094	2.5
249.02780	5.2
250.03168	1.7
250.09169	0.7
254.71298	0.4
255.01543	0.8
267.00217	2.0
267.03809	4.0
268.04138	2.6
269.11337	0.4
272.04388	0.6
273.02664	1.4
273.05112	0.6
278.07074	0.5
285.04828	1.2
286.05118	0.8
289.05789	0.5
290.05426	0.6
291.03809	5.3
291.07224	1.0
293.05862	0.7
293.10782	0.5
296.08078	3.9
297.11560	0.6
307.06927	0.5
309.08496	4.0
314.05630	0.7
314.09064	9.8
314.12421	2.6
314.16306	1.0
315.04254	0.8
315.07535	1.8
315.10202	1.4
317.05298	0.6
333.08453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60920	1.0
55.05493	3.4
57.03425	15.8
57.07069	43.0
67.05495	9.9
69.07050	8.2
71.08622	28.0
71.81677	1.3
81.07050	12.2
83.08605	8.1
85.10174	12.7
89.06012	1.6
91.74172	1.2
95.08601	19.7
97.10149	4.8
99.11685	1.2
103.07518	1.2
107.08618	1.3
109.10133	7.2
117.09183	1.2
123.11691	4.5
145.53345	1.3
151.14735	1.2
165.09105	2.6
205.08556	1.2
239.23683	4.1
257.04523	3.9
257.24765	4.3
298.10880	1.8
313.10730	2.6
313.17889	3.2
313.21490	3.0
313.27344	100.0
313.32776	23.4
314.13821	4.5
314.27750	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	314.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.5
57.03443	0.4
61.01128	0.8
61.37329	0.2
64.67014	0.2
67.05507	0.4
69.03420	1.9
69.95320	1.4
73.02928	0.4
79.05476	0.3
81.03423	0.3
84.96021	0.4
85.02890	1.5
87.02670	0.3
87.04453	0.2
88.01927	0.2
89.03897	0.9
89.06007	0.9
91.05434	0.3
97.02876	40.1
98.03215	0.7
98.21402	0.5
98.97562	2.9
103.03965	0.3
103.33466	0.2
107.04944	0.4
108.08105	4.3
109.02875	0.2
116.98605	2.8
117.03341	1.3
119.03541	0.3
124.07572	0.4
124.99120	0.6
127.03906	0.3
128.98587	0.3
134.05978	0.5
134.09619	0.4
134.99663	1.5
135.04402	1.8
135.05411	0.5
135.06541	0.7
136.06163	100.0
137.04588	0.5
137.06604	1.7
140.98521	0.3
141.02159	0.4
143.00177	2.1
143.01622	1.9
144.00475	0.3
145.01836	0.3
145.02797	1.4
147.04401	1.1
148.06146	0.6
152.07045	3.3
152.10695	1.2
158.06569	0.2
158.99628	0.3
159.03209	0.5
161.01202	1.7
161.02678	1.6
161.04654	0.5
162.07726	0.4
163.03876	10.7
164.04231	0.9
164.05638	5.0
169.01721	0.6
170.99606	0.5
177.00700	0.6
178.07205	2.0
179.02249	0.3
179.03676	2.1
185.01210	0.7
187.02826	0.6
189.00694	1.3
190.07016	0.3
194.99663	0.5
197.02902	0.3
203.02228	0.6
205.03889	0.2
213.00656	1.3
220.08365	0.3
228.10876	0.6
231.01707	1.4
237.02837	0.4
248.07785	0.6
248.99147	1.1
249.02789	1.9
250.09326	0.9
267.00116	0.8
267.03717	1.3
268.04193	0.5
273.02808	0.4
278.07101	0.5
285.04868	0.5
286.05371	0.4
291.03714	2.7
296.08069	4.2
314.09055	10.4
314.12387	3.3
314.15704	0.4
315.07086	0.4
315.09842	0.4
327.96985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1792
Annotation	3-Oxosaprorthoquinone
Peak:m/z	Relative Intensity
53.00303	0.9
54.23687	0.5
55.05489	2.1
57.03431	1.0
57.07046	0.8
62.16020	0.6
67.05484	1.7
69.03412	2.3
69.07045	0.5
69.89660	3.8
71.04982	33.6
76.59150	0.6
79.05482	0.6
81.03394	0.6
81.07037	1.8
83.01324	1.0
83.04954	1.8
84.58166	0.5
85.02857	0.6
86.81339	0.5
91.05457	2.9
93.07017	1.7
95.08588	2.3
99.04449	6.7
105.07014	6.2
107.08577	0.8
109.06480	0.8
111.04429	5.7
113.06001	2.5
115.05412	0.9
117.07000	2.7
119.08549	5.1
123.08037	2.1
125.05943	0.8
127.03892	2.4
128.06216	1.4
129.07011	1.0
130.07774	2.7
131.08563	3.1
133.10115	1.4
139.07518	1.1
141.06953	0.8
142.07683	0.6
143.08537	4.8
144.09317	0.8
145.10104	49.9
146.10451	2.7
147.11656	0.6
151.07532	1.7
153.06952	1.6
155.08531	4.0
156.09264	0.8
157.10129	3.2
165.06984	3.1
166.07721	2.0
167.07230	0.5
167.08508	2.7
168.09308	4.6
169.08578	7.1
169.10085	2.3
171.08046	7.3
171.11725	0.8
172.08649	0.6
173.09596	3.9
174.10338	0.5
180.09325	2.5
181.06465	1.5
181.08556	2.9
181.10114	3.9
182.07172	0.5
182.10840	1.8
183.07916	0.6
183.11681	5.2
185.09666	1.3
185.13231	1.4
187.07417	0.6
189.12718	22.4
190.13089	1.1
193.10078	4.1
195.08073	1.2
195.11659	7.0
196.08801	1.9
197.13239	6.8
199.11116	1.7
201.09100	4.1
201.12785	1.4
207.11687	1.0
208.08861	0.8
209.09612	3.9
210.10400	2.1
211.11154	35.9
212.11520	2.4
213.09055	0.7
213.12764	1.7
214.13425	0.6
215.14255	1.5
216.60606	0.5
223.11153	5.4
225.12701	3.9
226.09874	0.8
227.10658	11.2
228.11215	1.3
233.11670	1.0
241.12225	16.4
242.12964	3.7
243.13765	45.5
244.14075	2.3
249.16061	0.5
252.21835	0.6
253.12296	0.9
255.13783	1.8
257.04443	4.5
263.37500	0.5
267.17435	1.5
270.12408	0.8
271.05228	0.8
271.13257	5.3
277.15683	0.7
285.18460	1.0
295.16895	1.8
298.15784	0.9
313.10355	4.0
313.17932	100.0
314.18292	9.2
314.34155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1793
Annotation	3-Oxosaprorthoquinone
Peak:m/z	Relative Intensity
53.00282	0.9
53.03933	0.6
55.05508	3.4
56.18052	0.5
56.96562	0.7
57.03420	1.7
57.07063	4.4
67.05476	2.2
69.03403	2.1
69.07061	5.1
71.04984	26.4
71.08611	3.0
71.80711	1.1
78.69510	0.5
79.05460	1.1
81.03371	0.8
81.07051	3.3
83.01315	0.9
83.04975	3.4
83.08614	1.3
85.02866	0.6
85.06551	0.5
85.10155	1.5
91.05474	2.8
93.07026	1.1
95.04939	0.7
95.08601	4.8
99.04436	6.5
105.07021	7.2
107.08550	0.9
107.36028	0.5
108.44880	0.5
109.06474	1.4
109.10120	1.0
111.04434	5.3
113.05982	1.5
114.21168	0.5
117.07011	3.4
119.08553	5.4
121.10123	0.8
123.08048	1.5
125.05891	0.5
127.03911	3.2
128.06255	1.1
129.05453	1.1
129.06947	2.0
130.07776	2.8
131.08588	3.3
133.06471	0.6
133.10115	0.8
135.07925	0.5
137.05963	0.7
139.07483	2.3
141.06967	0.8
142.07742	1.3
143.08534	4.2
144.09348	0.5
144.10526	0.4
145.10100	42.9
146.10475	1.3
147.08026	0.7
147.11710	0.7
151.07536	3.5
153.06975	0.9
153.09071	0.7
155.08510	4.2
156.09319	1.4
157.10095	3.3
159.11658	0.8
163.02699	0.7
165.06960	2.6
166.07713	1.1
167.08519	1.9
168.09337	3.6
169.08577	6.9
169.10075	2.1
170.10815	0.6
171.08008	6.3
171.11633	1.7
172.08696	0.9
173.09587	4.7
175.11169	1.7
179.08591	1.1
180.09293	2.3
181.06444	0.6
181.07088	0.6
181.08554	4.3
181.10091	3.3
182.10886	1.6
183.11659	4.8
185.13226	1.3
189.12718	17.2
190.13020	0.6
192.09412	0.7
193.10072	3.3
195.08069	0.9
195.10063	0.9
195.11655	5.6
196.08789	1.8
196.12215	0.6
197.13229	4.6
199.07661	0.6
199.11137	1.8
201.09056	3.8
201.12794	0.9
203.29008	0.5
207.11658	1.2
208.08870	0.9
209.09631	2.7
210.10384	1.0
211.11143	24.8
212.11693	0.8
213.12679	1.0
214.13461	1.4
215.14223	1.8
221.11632	0.8
223.11148	4.2
225.09203	0.6
225.12672	3.6
225.16231	0.5
227.10619	8.7
228.07735	1.0
228.11343	1.0
233.11810	0.6
237.12680	0.6
239.10538	0.7
241.12209	11.9
242.12982	4.0
243.13771	35.2
244.14073	1.6
249.16193	0.6
253.12143	0.9
253.15785	1.0
255.10086	0.6
255.13799	0.6
257.04388	8.1
257.11664	0.7
258.04898	0.6
267.17429	1.0
270.12549	1.2
271.13266	9.6
285.18454	0.7
295.16895	1.2
298.15469	0.6
299.16373	1.0
313.10739	3.7
313.17926	100.0
313.27350	8.4
313.32990	1.2
314.13986	1.0
314.18329	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	313.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01859	8.2
55.05500	34.6
57.03166	2.3
57.03429	29.1
57.07069	2.3
65.03944	2.2
67.05489	24.4
68.99789	3.2
69.03424	63.6
69.07056	18.6
70.06595	1.7
70.12904	11.2
71.04980	18.1
73.02892	2.9
79.05503	12.9
81.02942	3.6
81.03406	54.6
81.07050	29.6
82.03745	2.9
82.04188	23.9
83.04969	39.2
83.08590	13.8
83.68397	1.7
84.19781	1.9
85.02892	24.1
85.06525	4.2
87.00817	3.1
91.05467	26.1
93.03383	2.1
93.07031	30.0
95.04953	18.9
95.08597	33.2
97.02863	16.2
97.06526	9.0
99.04435	5.0
99.08076	6.4
103.05465	2.6
105.07011	9.2
107.04932	8.4
107.08571	10.6
109.02903	2.0
109.06531	9.9
109.10107	2.3
111.04432	15.3
111.08064	100.0
113.09642	11.5
117.07009	10.5
119.04912	7.1
119.08557	4.4
121.06494	6.3
121.10130	2.7
122.03708	1.9
123.04433	2.5
123.08058	14.4
127.03892	6.6
127.07565	9.1
128.06186	2.7
129.05412	2.0
129.06999	7.3
131.08609	2.5
133.06508	2.4
133.10127	2.2
135.08025	22.0
137.02328	9.3
137.05939	18.9
137.09619	4.2
139.07524	90.5
141.09082	51.8
145.06496	2.2
145.10123	5.2
147.08026	4.7
149.09633	6.3
151.07529	59.5
155.10730	2.1
157.06441	3.5
161.05951	2.5
161.09489	2.0
163.03925	2.8
163.11150	4.6
165.09094	5.3
167.10684	2.3
174.06772	4.4
175.03934	2.9
175.07477	3.3
178.07886	2.9
179.10722	2.4
189.09070	17.8
191.10626	12.2
203.03424	9.6
207.10175	5.2
209.11710	72.3
210.12158	2.4
221.09596	2.1
253.12315	2.6
255.06578	2.0
257.04343	2.9
269.13889	6.3
276.98526	1.8
281.11920	2.5
295.06305	4.0
295.11700	93.7
296.12207	4.1
313.03406	3.3
313.07019	23.6
313.10648	4.6
313.14349	16.1
335.44931	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
55.01865	1.9
55.05497	0.5
57.07059	0.8
65.03925	0.3
67.05502	1.3
68.99789	0.6
69.03423	0.4
69.07050	0.7
71.08607	0.5
71.59045	0.3
77.03922	0.2
81.03392	0.3
81.07047	0.4
83.01328	4.8
83.04960	0.2
83.08630	0.2
85.10199	0.3
91.05470	4.5
93.03396	0.4
93.06984	0.3
95.04958	1.5
95.08601	0.3
99.00790	0.3
105.03380	4.5
105.07012	0.3
107.01292	0.3
109.02861	0.7
123.00827	0.4
123.04420	1.1
127.03910	0.4
137.02315	4.0
141.01810	4.3
145.69095	0.2
149.02319	1.1
151.03889	6.5
152.78195	0.2
155.03380	2.8
160.80687	0.2
167.03394	0.4
169.04922	0.9
179.03374	77.1
180.03746	1.2
196.06174	0.2
197.04433	51.3
198.04813	0.8
211.07521	0.4
225.12653	0.3
225.72084	0.2
245.08195	0.2
257.08054	100.0
258.08377	2.3
268.10242	0.2
295.16946	0.3
313.10571	0.7
313.14279	5.4
313.17932	1.5
313.21564	0.5
313.27298	2.1
313.32877	0.2
314.14383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1065
Annotation	SAPPANONE A DIMETHYL ETHER
Peak:m/z	Relative Intensity
51.58004	0.1
55.01825	0.2
57.07023	0.2
57.54283	0.1
65.03912	0.2
65.66742	0.1
67.05433	0.5
69.06994	0.2
71.04930	0.3
78.22736	0.1
79.05428	0.1
81.06975	0.4
87.45739	0.1
91.05415	0.4
93.03370	0.1
93.06950	0.4
95.04912	0.2
95.08538	0.4
105.06948	0.4
107.08503	0.2
109.02818	0.3
109.10035	0.3
117.06966	0.3
119.08529	0.3
121.02772	0.2
121.10075	0.6
123.11653	0.2
125.05934	0.3
131.08510	0.3
133.10059	0.3
135.11664	0.2
137.09583	0.1
141.09048	0.3
143.08467	0.2
143.49475	0.1
143.96454	0.1
145.06412	0.4
155.04851	0.3
157.10081	0.3
159.11630	0.1
165.09030	0.4
169.10075	0.1
171.11703	0.2
173.05972	0.3
173.09557	0.6
173.13170	0.2
183.11577	0.2
185.13194	0.2
187.11014	0.1
201.05469	1.8
203.03357	1.2
205.86423	0.2
207.02803	0.2
225.10907	0.2
229.04919	7.0
229.46399	0.2
230.05348	0.2
233.04236	0.2
235.13275	0.4
239.03342	0.4
239.14201	0.2
253.14240	0.2
257.04404	100.0
258.04764	4.9
267.17447	0.2
271.05948	0.6
295.13110	0.2
295.20325	0.2
313.10669	6.8
313.13974	0.2
313.17975	0.6
313.21643	0.7
314.11044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1067
Annotation	SAPPANONE A DIMETHYL ETHER
Peak:m/z	Relative Intensity
51.38531	0.1
55.01863	0.2
55.05487	0.3
57.07048	0.6
67.05470	0.6
68.99776	0.2
69.07043	0.5
70.06573	0.2
70.74981	0.2
71.04965	0.2
71.77722	0.4
79.01841	6.5
81.07024	0.7
83.08611	0.2
91.05443	0.6
93.07021	0.6
95.04920	0.3
95.08564	0.7
103.05450	0.5
105.07029	0.4
107.08585	0.2
111.04397	0.3
117.06974	0.3
119.08557	0.4
121.06477	0.3
121.10120	0.5
129.06949	0.2
131.04878	0.4
131.08585	0.3
135.07988	0.2
145.06480	0.3
145.10077	0.5
147.04385	2.0
151.52621	0.2
155.05925	0.3
155.62083	0.2
157.10191	0.2
158.24059	0.2
159.04356	0.4
159.08057	0.2
159.11696	0.3
161.06036	0.2
163.11192	0.2
166.03700	0.2
173.05936	0.3
173.09586	0.5
173.13266	0.3
178.68791	0.2
183.04468	0.2
183.11731	0.3
187.03879	1.6
188.83403	0.2
197.13235	0.3
201.05400	0.7
203.03284	0.2
209.11699	0.2
210.12108	0.5
211.03983	1.0
211.12337	0.9
215.03343	4.0
229.04915	2.3
230.05511	0.2
233.04422	23.1
234.04778	0.9
238.11523	0.4
238.18323	0.2
239.03366	1.9
239.11746	0.7
239.14038	0.2
257.04416	100.0
258.04791	5.3
271.06113	0.4
275.20102	0.2
285.18594	0.2
295.13385	0.2
295.17221	0.3
298.10657	0.3
313.10654	47.3
313.17917	1.8
314.10962	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1065
Annotation	SAPPANONE A DIMETHYL ETHER
Peak:m/z	Relative Intensity
50.77255	0.2
68.99763	0.3
121.02814	0.3
139.94598	0.2
145.06456	0.3
147.04294	0.2
155.04938	0.2
161.05840	0.3
173.06010	0.4
183.04367	0.3
186.06316	0.2
201.05421	1.1
203.03325	0.2
205.04964	0.3
215.03383	0.6
226.24323	0.2
227.03282	0.3
229.04935	7.5
230.05501	0.3
239.03481	0.3
257.04419	100.0
258.04782	4.4
266.05722	0.4
271.05911	1.2
272.06323	0.2
295.92236	0.2
313.10663	27.7
314.10974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1064
Annotation	1,3,5-Trihydroxy-4-prenylxanthone
Peak:m/z	Relative Intensity
56.96538	0.4
57.03410	0.2
67.05470	0.6
69.07039	0.3
69.16182	0.2
69.69102	1.1
69.69527	0.7
79.05486	0.4
81.07029	0.5
82.73246	0.2
91.05440	0.4
93.07008	0.5
95.04935	0.4
95.08582	0.5
97.50107	0.2
98.21442	0.5
102.43090	0.2
105.07045	0.5
107.08581	0.3
109.10102	0.4
115.07512	0.5
117.06952	0.3
119.08583	0.4
121.02862	0.3
121.10123	0.5
133.10097	0.4
137.05962	0.3
147.08005	0.4
150.35529	0.2
151.07529	1.3
161.06000	0.7
171.11804	0.3
173.05847	0.4
183.04439	0.5
187.03804	0.5
193.08582	0.4
201.05460	0.7
209.70277	0.2
215.03426	1.0
226.68317	0.2
227.03339	0.3
229.04929	9.2
230.05272	0.6
241.11128	0.5
243.06410	0.3
245.04327	0.2
246.19975	0.2
249.14772	1.3
253.11143	0.6
257.04410	100.0
258.04773	5.3
259.12073	0.6
266.05829	0.3
271.05948	2.0
271.11996	1.1
272.08585	0.4
280.07263	0.7
281.17563	0.3
295.09537	0.6
295.19348	0.2
313.10645	43.2
314.10983	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	313.1066
Annotation	Bangangxanthone B
Peak:m/z	Relative Intensity
50.79996	0.3
53.00280	0.3
53.03939	0.3
55.05274	0.3
55.05504	2.0
55.46801	0.3
57.03433	2.4
57.07069	10.3
60.90686	0.3
67.05492	2.4
69.03403	0.5
69.07062	18.2
70.07384	0.4
71.04984	3.8
71.08249	0.5
71.08623	7.3
71.81138	0.5
73.67764	0.3
79.05463	0.7
81.03400	0.3
81.07048	3.2
83.04970	0.4
83.08599	2.0
85.06498	0.5
85.10179	3.5
91.05467	0.8
93.06993	0.9
95.04926	0.3
95.08604	4.8
97.10152	1.3
99.04449	0.6
105.03365	1.0
105.07018	1.6
107.08546	0.7
109.06517	0.5
109.10141	1.9
111.04420	1.1
113.06010	0.5
117.07004	0.9
119.08546	1.1
121.02824	0.5
121.10100	0.5
123.11682	0.8
127.03913	0.4
128.06181	0.4
130.07817	0.5
131.08569	1.2
133.10042	0.7
135.08119	0.4
135.11758	0.3
137.05984	0.3
142.07710	0.4
143.08537	1.0
145.06471	0.4
145.10117	7.3
147.07994	0.3
147.11656	0.4
151.07536	0.4
153.01793	0.7
153.07037	0.3
155.08490	0.5
157.10129	0.7
157.12251	0.5
159.08034	0.4
159.11699	0.4
166.07794	0.4
167.08617	0.4
168.09299	0.5
169.08598	1.3
169.10033	0.5
171.08057	1.0
172.54724	0.3
173.09599	1.7
175.11082	0.5
177.05414	0.5
181.08595	0.7
181.10074	0.8
182.10896	0.4
183.11674	0.7
187.04024	0.3
189.12727	2.1
191.07031	0.5
195.11693	0.6
196.08832	0.3
197.13228	1.3
199.11192	0.5
201.05424	0.4
201.09056	0.6
209.09631	0.5
211.11195	4.0
213.09123	0.5
215.10706	0.6
216.04132	0.4
220.94261	0.3
223.11116	0.4
225.12778	0.8
227.03296	0.4
227.10751	1.6
229.04939	4.8
229.12323	0.5
230.05731	1.8
239.10378	0.3
239.23743	0.5
241.12160	1.4
243.02898	0.5
243.13770	5.7
245.04434	22.2
246.04765	0.8
255.10164	0.5
257.04434	27.0
258.05136	3.4
269.04398	1.4
271.05963	0.9
271.13303	1.2
283.06366	0.4
285.18570	0.4
295.16919	0.6
295.20450	0.3
312.32599	0.7
313.10669	100.0
313.17966	17.5
313.21411	1.9
313.27344	29.7
313.33093	1.3
314.10965	5.9
314.14081	0.5
314.18164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1065
Annotation	SAPPANONE A DIMETHYL ETHER
Peak:m/z	Relative Intensity
53.56902	0.2
54.77642	0.1
57.07080	0.2
70.46604	0.5
79.01833	3.5
81.07037	0.2
93.07029	0.2
95.08591	0.2
98.21460	0.1
105.07000	0.1
117.06971	0.1
129.07071	0.2
131.04913	0.3
145.06439	0.2
147.04378	0.3
155.04849	0.5
157.06506	0.2
159.04395	0.5
173.05948	0.2
183.04338	0.2
183.11577	0.2
187.03882	2.5
188.04094	0.2
201.05417	0.9
211.03847	1.3
213.05412	0.3
215.03352	7.0
216.03722	0.3
229.04900	2.1
233.04408	20.3
234.04700	0.9
239.03334	2.9
245.93307	0.1
257.04398	100.0
258.04761	5.1
269.04416	0.2
271.05859	0.3
277.42645	0.1
292.38129	0.2
313.10641	44.8
314.10980	3.4
314.13751	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	312.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01859	1.2
56.96320	1.1
56.96560	12.2
57.03418	2.1
61.02902	2.3
67.05487	1.6
69.03412	6.1
69.07057	4.4
69.59418	7.1
70.06587	4.3
71.04968	3.5
72.08131	0.9
73.02896	2.2
73.06491	1.1
75.04490	1.1
79.05490	1.8
81.03409	1.6
81.07027	0.7
84.08114	1.4
84.95996	0.9
85.02421	0.9
85.02899	12.1
85.06522	1.0
87.04456	22.0
89.03913	1.0
91.05482	1.3
97.02892	5.4
97.06523	3.8
98.03196	0.9
98.97541	2.2
99.04456	1.6
107.04910	1.0
109.02829	1.6
109.52348	0.7
113.05984	0.7
115.03915	100.0
115.07549	13.8
116.04227	1.5
116.07050	1.1
116.98586	2.4
119.04879	1.0
120.08072	1.3
124.99123	2.4
127.03869	3.2
130.04860	0.9
130.06485	0.9
132.08081	1.3
133.02818	1.3
133.04948	41.9
133.08565	5.7
134.05257	1.4
134.99651	1.0
135.04349	1.1
137.05951	2.0
138.06308	2.2
143.00150	10.8
145.04910	3.1
146.99646	1.3
147.04408	2.3
150.05478	2.1
150.07607	7.7
151.03883	1.5
159.03246	1.3
161.01213	18.3
162.05429	1.1
162.99142	0.8
163.03876	6.3
164.04289	1.2
165.01938	0.8
167.00131	0.8
170.99620	2.2
175.02765	1.1
177.00691	1.2
179.02242	3.1
180.08685	6.9
183.02974	0.8
185.01166	4.3
189.00690	4.6
192.07445	0.8
203.02171	2.6
207.01724	1.1
213.12315	1.4
219.01753	1.2
223.04274	2.3
231.01804	1.3
237.02800	1.7
241.38112	0.7
249.02742	13.7
249.05067	1.0
267.00934	1.0
267.03824	19.9
272.04333	6.3
285.04858	12.4
290.05487	7.2
308.06494	2.0
312.14886	0.9
312.18872	0.8
312.32681	1.2
323.09927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
65.79443	0.7
69.03425	1.1
69.07056	62.4
71.24365	1.6
73.06542	10.3
82.52681	0.8
85.02892	4.8
97.02885	1.2
97.06516	22.4
115.07551	100.0
116.07950	1.1
132.04442	2.5
133.08580	40.6
145.04967	1.0
151.03882	0.8
156.10213	0.8
177.47878	0.8
210.70544	0.7
240.61081	0.7
268.15390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
56.05535	1.3
56.21494	1.2
56.96557	55.6
57.03419	3.6
57.07062	4.3
61.02905	1.8
66.94623	1.3
67.05486	4.2
69.03418	7.8
69.07056	4.0
69.64375	7.8
69.64781	3.5
70.06577	2.2
71.04955	2.5
71.08615	2.6
72.62585	1.4
73.02911	3.8
74.97593	3.9
79.05474	3.6
81.03401	3.3
81.07054	2.9
83.04968	2.1
84.04504	2.0
84.08115	2.1
84.96001	5.8
85.02898	15.6
85.92937	1.5
87.04485	2.0
89.03922	9.2
89.06018	18.3
91.05472	3.0
95.04968	3.6
95.08572	4.2
97.02884	25.2
98.06024	7.6
98.97567	15.1
99.04452	1.8
107.04926	4.2
109.02893	2.6
109.10115	1.9
110.97559	2.3
111.04419	4.2
112.06870	1.9
112.07592	25.6
115.03919	2.4
116.04288	2.3
116.98601	11.2
117.03355	10.9
124.99102	11.7
127.03867	2.1
128.98584	3.7
130.08624	4.4
131.04892	1.8
133.02817	3.8
133.08618	1.5
134.99664	8.6
135.04407	17.9
135.06480	5.6
136.06166	41.1
137.05951	1.6
139.03902	2.3
141.02200	2.2
143.00143	57.2
144.98114	2.3
145.01761	2.9
145.02821	12.5
145.04887	2.4
146.99615	3.8
147.03334	1.5
147.04341	8.2
148.04784	1.6
150.05446	4.3
151.03821	3.3
151.09612	8.7
152.07027	2.5
157.01717	4.0
157.99004	1.6
158.99644	3.0
159.03279	4.1
161.01199	83.5
162.99147	3.3
163.03886	100.0
164.04211	5.4
165.05496	1.9
167.00121	1.5
169.01680	4.7
170.99641	10.6
172.00545	5.1
173.98441	3.1
174.04399	3.6
175.02715	3.7
176.00029	2.5
177.00722	6.4
179.02211	11.3
179.03551	2.6
183.05092	1.7
184.02803	3.9
185.01231	16.3
186.04385	4.3
187.02753	4.9
189.00681	25.2
189.02261	2.7
191.99548	1.8
196.22124	1.5
197.08076	4.9
201.00639	1.4
202.01672	2.9
202.03810	4.3
203.02194	11.7
204.05402	3.8
207.01744	5.9
212.02463	1.7
213.00662	8.7
217.05392	1.6
219.01685	3.4
220.04877	2.3
223.01195	1.6
231.01730	13.0
232.62785	1.5
237.02754	3.3
248.99020	5.2
249.02785	64.9
253.06297	3.7
254.03311	2.5
257.04333	7.1
265.06342	3.5
267.00449	4.5
267.03845	84.1
268.04196	1.7
271.01297	1.9
272.04352	24.4
273.02802	1.8
280.07004	1.8
281.05643	2.4
281.12531	1.5
282.12674	1.5
285.04886	39.0
289.07477	2.1
289.57727	1.7
290.02332	2.1
290.05447	26.2
291.03775	6.3
293.06094	2.3
295.07550	8.4
296.08038	2.9
302.06296	1.6
303.05963	2.2
308.06500	7.1
313.08374	20.0
313.14767	3.2
313.27313	6.4
314.09006	6.8
317.05499	2.6
319.03656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.25537	0.5
53.00312	0.6
53.03925	2.2
55.01855	1.6
55.05504	40.3
56.05835	0.8
57.03164	1.0
57.03427	15.5
57.07066	20.8
57.67816	0.5
60.90910	0.5
67.05496	6.8
68.99776	1.0
69.03391	0.6
69.07059	46.4
71.04927	0.7
71.08247	0.7
71.08623	11.5
71.21098	1.2
72.75816	0.6
73.02900	0.6
79.05462	5.0
79.45478	0.5
81.03423	0.7
81.07050	10.9
83.01337	3.6
83.04961	1.2
83.08607	36.6
84.08922	0.8
85.06502	0.7
85.10165	4.4
91.05467	2.1
93.07039	5.4
95.04959	3.3
95.08592	6.5
97.06496	4.6
97.10152	28.0
99.08010	0.7
101.05969	0.7
105.03378	20.8
105.06998	1.3
106.03745	0.8
107.04932	0.9
107.08584	4.3
109.06477	2.5
109.10139	3.1
111.08062	1.9
111.11707	8.4
117.06982	0.6
119.08587	0.9
121.10133	5.8
125.09580	1.0
125.13217	1.9
131.08554	1.1
134.70348	0.5
134.82007	0.5
135.04401	1.1
135.08054	0.5
135.11650	4.1
137.13223	1.3
139.11163	0.9
139.14824	0.7
143.08577	0.7
145.10085	1.0
147.04317	0.6
147.08142	0.7
149.13286	2.7
153.01825	1.3
153.05434	1.0
153.12753	0.5
158.51457	0.5
159.08012	0.5
163.03860	0.9
163.14804	1.1
165.09062	1.0
177.05476	0.7
177.09091	0.9
177.16344	0.7
179.03403	1.4
181.04973	1.3
191.03374	5.3
191.07050	1.2
191.10492	0.7
195.06422	0.6
195.11678	0.8
205.08626	0.7
209.11693	2.5
215.06960	0.6
219.21129	1.2
233.08063	18.4
234.08487	1.6
237.11139	1.2
237.22084	1.0
241.04915	0.7
241.08441	0.5
241.12219	0.9
251.08800	3.1
255.13766	0.7
257.04431	1.0
269.04382	1.1
269.08313	0.8
269.11658	1.7
269.15433	0.7
293.11902	0.6
293.15201	0.9
296.06784	0.8
311.09073	6.1
311.12717	24.8
311.16312	5.4
311.20001	7.2
311.25754	100.0
312.09509	1.1
312.13037	3.3
312.16544	1.1
312.20428	0.8
312.26047	4.7
327.62195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.294
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
55.01860	3.0
55.05502	38.4
57.03414	1.9
57.07069	22.6
59.04970	3.8
65.03933	1.7
67.05141	1.7
67.05495	32.5
69.07057	100.0
70.07402	1.6
71.04976	5.4
71.08630	10.2
71.81403	2.4
76.17374	1.5
79.05481	13.4
81.07045	96.5
82.07404	1.8
83.04975	3.1
83.08607	43.6
85.06535	19.1
85.10136	4.8
91.05456	4.6
93.07025	23.6
95.04931	2.0
95.08591	95.1
97.06496	5.3
97.10161	26.2
99.08076	16.0
99.23704	1.7
100.11219	6.7
105.07008	4.3
107.07928	1.5
107.08585	24.9
109.06505	1.9
109.09393	3.4
109.10138	59.8
111.04401	2.3
111.08079	10.9
111.11703	25.4
113.09627	3.6
117.06921	1.9
119.08535	4.2
121.10126	16.0
123.08071	2.0
123.11687	33.6
125.09623	3.0
125.13244	8.6
127.11220	2.2
131.08513	2.0
133.10135	2.3
135.11673	12.9
137.13228	21.5
139.11191	4.9
141.12732	1.9
145.10098	2.7
149.13239	27.8
151.14801	11.7
153.06870	1.4
153.12741	4.5
159.11703	2.0
163.14819	10.6
165.16348	8.3
167.14320	7.7
168.13857	1.8
169.15788	2.3
173.09621	1.9
177.16388	4.3
179.17924	4.3
182.15405	2.6
191.03409	1.8
191.17899	2.6
193.19566	2.1
196.13278	2.5
204.66463	2.8
205.19591	2.1
210.14932	2.0
213.05351	2.5
219.21011	2.9
223.20543	2.7
229.04868	3.7
241.04878	13.6
249.25719	2.7
253.04701	2.4
255.06528	3.5
257.04398	34.7
258.04681	3.5
265.08527	3.6
269.04440	13.4
269.07541	2.3
270.04868	2.3
275.20056	3.7
275.27325	10.2
278.05768	2.4
279.06113	1.8
281.04321	5.9
281.28333	4.8
282.05151	6.6
283.06021	3.6
283.09537	2.8
293.08075	10.4
293.28339	25.8
295.05881	3.1
296.06729	4.7
311.05484	9.0
311.09067	98.4
311.18301	21.2
311.23605	2.4
311.29425	45.9
312.06073	4.2
312.09402	10.3
312.12476	2.1
312.29688	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.2
53.03927	1.2
55.05492	4.8
57.03440	1.8
57.07061	4.5
63.56657	1.1
65.03929	1.8
67.05499	17.5
68.99781	12.2
69.03422	17.0
69.07047	3.8
71.04984	82.8
71.06345	3.4
77.03992	1.4
79.05470	6.0
81.07033	5.2
83.01350	3.2
83.04971	17.4
83.08604	2.8
85.06532	10.0
91.05455	8.4
91.20886	1.3
93.07033	25.6
94.70480	1.0
95.04959	16.2
95.08595	53.2
97.06512	3.4
99.08088	2.1
101.02386	3.0
101.05899	1.3
105.07021	6.2
107.04939	1.9
107.08578	13.0
109.06504	4.1
109.10128	6.9
111.04414	2.9
111.08078	25.3
112.98458	1.2
113.05982	3.5
113.09632	1.4
115.03912	5.0
117.06996	3.6
119.08558	14.3
121.06494	19.4
121.10137	2.8
123.04408	3.3
123.08051	38.5
125.05982	15.1
125.09618	2.0
131.08542	3.3
133.04935	3.0
133.06404	2.8
133.10083	4.8
135.08023	21.5
135.11732	1.5
137.05954	10.1
137.09593	40.5
139.03882	2.2
139.07524	25.2
139.17633	1.2
141.05437	1.5
141.09077	11.4
143.08507	2.4
145.06447	1.7
145.10117	3.8
147.08035	5.2
147.11679	4.9
149.05916	8.9
149.09590	1.7
151.11177	3.2
153.09106	6.3
155.10648	2.1
156.09354	3.5
157.04965	10.2
157.10025	1.3
159.08080	2.6
159.11688	2.5
161.13231	2.5
163.07532	26.3
165.09105	89.6
165.12793	2.7
166.09462	1.4
167.07050	2.3
169.10156	1.8
171.06508	84.2
171.11623	6.1
172.06870	1.9
173.09570	3.2
174.10345	2.0
175.07489	4.1
175.11180	12.6
181.08588	25.3
187.11186	6.2
189.12715	14.2
191.06998	5.1
191.10681	4.4
193.08607	1.8
193.12248	5.5
195.06503	1.8
195.10146	19.9
197.09903	1.8
197.11673	8.4
199.09615	4.1
199.11234	5.3
205.12160	2.0
207.13800	20.0
209.08067	62.8
210.08505	1.4
215.10667	21.7
217.12230	54.1
218.12558	1.6
223.09615	5.6
227.09125	1.8
233.11713	21.8
235.13263	100.0
236.13684	3.6
240.04068	1.4
241.04951	3.5
241.10681	31.5
243.10129	4.7
249.14891	2.1
251.12750	5.6
253.04906	3.3
255.06543	1.5
257.04410	5.5
261.11185	17.7
267.06781	1.5
269.04382	17.3
279.12250	75.1
280.12506	2.4
281.04391	2.6
283.06088	2.9
293.08047	12.9
293.13791	2.5
295.05884	7.8
296.06772	8.6
311.05463	3.4
311.09094	60.7
311.14642	11.0
312.09454	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	311.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
55.01866	4.9
55.05503	46.7
57.03431	16.3
57.07064	24.7
61.91489	2.2
65.03937	3.8
67.05495	37.1
69.07056	91.2
69.44505	9.4
69.44940	12.3
70.16811	2.2
71.04969	4.2
71.08614	9.0
71.87672	1.8
74.31387	2.2
79.05477	25.2
81.03407	4.1
81.07045	44.8
82.50388	1.9
83.04952	5.0
83.08603	44.3
85.06556	3.9
85.10155	3.4
91.05463	31.8
93.07027	100.0
95.04954	58.5
95.08587	85.1
95.09214	3.3
97.06511	31.5
97.10162	22.5
103.05437	2.5
105.07013	66.8
105.07732	3.3
107.08582	48.2
109.06535	12.3
109.10143	33.5
111.11723	6.0
113.61324	2.0
115.05450	4.5
117.07001	14.6
119.08559	63.7
119.09421	3.2
121.06496	19.6
121.10123	48.0
123.08037	19.6
123.11691	17.3
128.06181	3.6
128.97774	2.0
129.06985	8.7
130.07768	5.5
131.08549	22.9
133.10101	35.1
135.04402	2.4
135.08020	13.8
135.11673	22.8
137.09641	4.0
137.13217	5.5
141.06897	2.1
142.07759	7.1
143.08525	10.9
144.09285	4.2
145.10106	38.4
147.11662	20.9
149.09613	3.7
149.13219	7.7
155.08533	6.9
156.09315	4.2
157.10103	28.1
158.10666	2.3
159.11676	51.9
161.09616	9.7
161.13249	13.2
163.11165	4.4
163.14772	3.2
169.10103	9.9
171.11646	9.9
173.09561	3.2
173.13193	11.1
175.11226	3.7
175.14830	13.2
177.16364	19.2
181.10036	3.1
182.10918	1.9
183.11697	7.5
185.13222	11.0
187.11179	5.8
187.14799	6.9
189.16382	13.4
191.17889	3.0
193.10185	2.7
195.02925	5.0
195.11710	4.7
197.13132	5.5
199.07182	2.1
199.14799	8.1
201.16393	11.2
203.17989	6.6
209.11740	5.8
209.13406	3.0
211.14803	7.4
213.16330	5.3
215.17937	7.4
219.17346	4.9
223.14726	4.2
225.16394	3.2
227.14317	2.6
227.17914	2.9
227.75067	1.9
229.15906	2.3
237.11249	7.3
237.16251	3.2
241.19452	3.9
255.06514	3.0
255.21005	4.8
267.21021	5.7
293.22586	6.0
311.16302	3.2
311.22925	11.9
311.26276	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1484
Annotation	Lindenanolide G
Peak:m/z	Relative Intensity
52.19212	1.1
53.70732	1.1
55.01861	2.2
55.05487	3.5
57.03420	2.8
57.07058	7.0
59.04985	2.6
61.02879	1.3
65.03938	1.4
66.74348	1.1
67.05507	11.8
69.03435	7.6
69.07044	4.5
69.98896	7.9
71.04986	15.1
74.14935	1.1
79.05490	6.7
81.03403	1.6
81.07034	7.1
83.01320	7.4
83.04961	3.1
83.08604	2.0
84.41267	1.3
85.02903	2.8
85.06535	10.2
91.05447	5.9
93.07030	15.3
95.04955	6.4
95.08587	4.4
97.02878	2.0
97.06528	1.9
98.98472	8.7
103.05430	1.2
105.06989	5.8
107.04952	3.1
107.08595	6.3
109.02862	1.3
109.06486	4.3
109.10136	2.2
111.04432	2.6
111.08099	2.9
113.05986	11.4
115.05402	1.7
117.07030	1.8
119.08557	3.5
121.06496	6.0
121.10155	10.3
123.04420	3.1
123.08025	3.4
125.09589	1.6
127.03947	1.4
129.28583	1.1
131.08531	6.2
133.06429	2.1
133.10085	2.0
135.08067	6.4
135.11658	1.7
137.02338	1.2
137.05949	4.1
137.09593	2.3
139.07542	2.5
143.08592	1.8
149.05968	3.7
149.09587	10.2
151.07538	2.8
153.05450	10.4
153.09070	2.4
155.03323	1.7
156.04214	1.8
159.08063	2.8
159.11684	2.2
161.05942	2.8
161.09639	2.4
163.07553	11.6
163.11183	1.7
165.05478	2.6
167.07031	9.6
167.10672	2.3
169.04956	3.2
171.07982	1.2
173.09601	2.4
175.07515	4.4
177.05547	2.3
177.09082	11.1
179.07010	3.9
181.08543	5.3
183.06488	10.6
187.07549	4.0
187.11136	5.2
189.05458	3.0
189.09142	2.3
190.09938	1.7
191.06995	9.0
191.10678	3.7
192.07762	8.5
193.08572	9.3
195.10181	4.1
197.08083	8.8
201.12741	2.5
203.07048	2.2
205.08585	27.2
205.12128	6.4
207.06516	13.0
209.07990	4.5
214.09795	1.6
215.10649	5.2
217.08618	3.5
218.09355	3.8
219.10191	1.6
221.08089	21.1
222.08363	1.4
223.09628	33.0
225.07556	19.5
227.07149	1.6
227.09023	7.2
229.04915	1.4
229.12230	5.8
233.11703	24.5
235.09686	3.7
241.04919	10.4
241.10591	1.8
242.09258	2.9
247.13313	5.3
251.12784	24.0
253.04962	2.0
254.05832	1.3
255.06578	2.4
257.04419	16.4
257.11676	37.4
265.08594	2.0
265.14423	2.9
269.04343	10.2
269.07019	1.3
275.12766	30.8
275.20181	2.8
276.13141	1.8
281.04367	3.3
282.05273	4.6
283.05917	2.8
283.09485	1.2
293.08069	5.2
293.13815	19.9
293.21045	2.0
295.05963	2.0
296.06738	4.7
311.05441	6.7
311.09076	62.1
311.14850	100.0
311.29190	1.6
312.09366	3.5
312.15173	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	311.127
Annotation	Moracin C
Peak:m/z	Relative Intensity
50.71070	0.1
51.02392	0.1
53.03702	0.1
53.03936	1.5
53.47077	0.1
54.42208	0.1
55.00428	0.1
55.01846	0.6
57.07072	0.2
63.02359	0.1
63.26137	0.1
67.01849	0.4
69.07056	0.2
69.64614	1.0
72.49526	0.1
81.03403	8.4
82.03698	0.2
94.06511	0.2
95.04949	0.2
99.00788	1.0
105.03368	2.9
109.02862	17.9
110.03206	0.4
115.05450	0.1
117.01815	0.1
121.02850	1.4
123.00726	0.2
127.03898	0.3
131.01265	0.6
135.00766	0.3
139.03923	0.2
149.02307	1.8
165.01814	0.4
165.24377	0.1
167.03371	1.0
177.01796	15.9
178.02190	0.4
183.02876	0.4
195.02858	100.0
196.03226	2.9
197.03342	0.2
209.04594	0.1
218.04474	0.7
233.08070	2.5
234.08655	0.1
243.06468	0.7
251.09082	1.3
255.06474	58.1
255.64938	0.1
256.06808	2.6
311.12720	30.1
312.13019	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	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67440	0.8
53.03936	4.7
55.01858	1.7
55.05500	5.7
55.36436	0.9
57.03427	5.3
57.07079	1.1
61.02921	1.3
67.05491	5.3
68.99769	1.0
69.03422	26.0
69.07037	1.6
71.01341	1.6
71.04957	2.1
71.21708	0.9
71.80731	1.0
73.02901	1.9
75.04462	4.9
77.03902	1.3
79.05482	25.0
81.03407	8.3
81.07048	8.5
83.01299	1.1
83.04965	3.8
85.02887	10.6
85.06536	1.5
86.50744	0.8
87.04449	1.4
91.05473	20.3
93.07030	100.0
93.40199	0.8
94.07357	1.9
95.04958	19.0
95.08601	8.5
97.02876	14.7
97.06525	1.9
99.04426	2.9
100.11256	3.1
101.02350	1.6
103.05453	1.3
103.52272	0.9
105.04479	1.1
105.07019	14.9
107.08582	22.7
109.02870	3.4
109.06509	2.4
109.10127	1.5
111.04421	6.9
111.08060	3.9
115.05457	1.1
116.06216	1.9
117.07021	2.6
119.08559	9.0
121.06511	5.0
121.10128	91.9
122.10423	2.3
123.04417	9.7
123.08071	4.9
123.11671	1.7
125.02319	3.5
125.05967	2.3
127.03909	9.9
129.07021	2.1
131.08557	11.6
133.06419	1.6
133.10106	3.4
135.08026	2.0
135.11681	1.4
137.06017	1.3
137.09622	1.5
139.03877	8.4
139.11125	1.4
140.04622	1.3
141.05441	6.2
142.07780	1.1
143.08560	1.7
145.04968	1.8
145.06511	1.4
145.10112	4.0
147.08026	2.1
149.09595	27.6
151.03885	36.2
151.07521	1.3
151.11179	1.3
152.04196	1.3
153.01790	6.3
155.08484	1.1
157.10164	1.7
158.07220	1.2
159.08054	2.5
159.11729	1.1
161.09595	3.7
163.11189	1.9
165.12897	0.9
167.10651	13.4
171.02852	9.3
173.09625	1.4
175.07538	1.7
175.11131	2.0
177.09138	1.2
179.03386	1.2
179.10529	0.9
187.11172	1.5
189.09132	1.0
191.10625	3.8
203.10687	1.0
205.12230	1.6
215.10646	1.0
229.12083	1.1
233.04430	1.9
233.11681	0.9
247.13237	1.7
255.06389	1.7
265.14258	1.2
275.12726	2.2
283.05969	3.8
283.09149	1.1
293.06467	4.3
293.13504	6.3
296.06833	1.8
311.05411	5.1
311.09091	6.2
311.14792	6.2
311.23218	3.4
312.09097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0909
Annotation	Nigrolineaxanthone H
Peak:m/z	Relative Intensity
55.01857	0.9
55.05495	1.2
57.06831	0.3
57.07068	3.4
63.87989	0.3
67.03925	0.3
67.05503	1.7
68.99776	0.7
69.07056	1.8
69.65165	3.4
70.04060	0.7
71.04968	0.9
71.83685	0.4
79.05473	1.3
81.07051	2.2
83.04958	1.4
83.08619	0.9
83.24792	0.4
91.05460	1.2
93.07017	1.6
93.45683	0.4
95.04958	0.7
95.08585	1.4
97.06510	0.8
97.10177	0.6
103.20866	0.4
105.07001	1.4
107.04924	0.6
107.08606	1.8
109.02853	0.7
109.06463	0.7
109.10150	0.6
111.04430	1.9
111.08073	0.8
117.06961	0.5
119.08556	2.3
121.06493	0.7
121.10124	1.1
123.08000	0.7
125.02407	0.4
125.05952	0.8
125.09647	0.6
127.01096	0.3
129.06979	0.5
131.08569	0.7
133.10127	0.6
135.04471	0.4
135.11682	0.6
137.05946	0.6
137.09613	0.5
141.06996	0.4
145.10139	1.2
147.11650	0.6
149.09552	0.5
153.01793	0.9
153.05457	2.1
157.10152	0.6
159.11650	0.4
163.07581	0.6
165.09077	0.4
167.07091	0.4
167.08522	0.4
169.10036	0.4
173.09546	0.6
175.07535	0.5
177.05490	1.6
179.03371	6.7
181.04956	0.4
181.08534	0.4
181.12308	0.8
181.13843	0.4
183.06621	0.3
183.11717	0.5
185.05911	0.5
191.07053	0.8
191.10643	1.3
195.04724	0.6
195.06474	3.4
196.07466	0.5
197.04443	2.2
197.09515	0.4
199.03825	0.6
200.04767	0.6
201.05420	0.6
203.07047	0.7
205.08627	0.5
209.11699	9.6
209.13524	0.7
212.04628	0.6
213.05499	1.6
221.08095	0.7
223.03931	0.5
223.09520	0.6
225.09183	0.4
226.06375	0.4
227.03424	0.5
229.04961	1.2
235.09621	13.5
236.09914	0.4
237.11159	7.5
240.04092	2.5
241.04924	6.9
244.03636	1.1
249.14745	0.4
250.06279	1.0
251.12834	1.1
253.04939	5.5
254.05531	0.5
255.06631	1.0
255.12184	2.0
257.04440	7.2
265.08636	0.4
265.17969	0.7
267.06448	0.9
268.07358	0.8
269.04431	26.4
269.07446	1.1
270.04803	0.6
275.20093	1.2
277.14282	1.2
278.05530	0.8
278.15091	8.6
281.04404	2.9
282.05142	2.6
283.05994	4.1
283.09586	1.3
293.08038	15.8
293.17346	1.3
293.21014	1.2
294.05240	0.5
294.08441	0.5
295.06003	11.7
296.06747	12.4
297.07260	0.5
309.07538	1.0
311.09103	100.0
311.14999	5.0
311.19879	3.5
311.24545	1.2
312.09421	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	311.0909
Annotation	Nigrolineaxanthone H
Peak:m/z	Relative Intensity
55.05488	0.6
57.07050	0.7
64.74255	0.2
65.03916	0.2
67.05480	0.5
69.07074	0.3
69.66336	0.9
69.66769	0.9
71.04940	0.2
79.05470	0.2
81.03390	0.5
81.07063	0.2
83.04980	0.2
85.06532	0.5
93.07037	0.3
95.08582	0.4
97.35466	0.2
98.20684	0.4
105.07001	0.3
111.04465	0.3
117.06989	0.2
121.02808	0.3
123.70199	0.3
127.03860	0.2
128.62495	0.2
133.10223	0.2
137.02333	5.3
145.06448	0.3
145.10123	0.3
153.05499	0.3
157.06477	0.5
167.06966	0.5
167.08499	0.2
171.04355	0.2
173.05994	0.2
173.33600	0.2
175.07651	0.3
175.11154	0.3
189.05408	0.4
191.06995	0.5
195.08136	0.2
199.03926	0.4
199.14844	0.3
201.05481	1.2
209.07988	0.3
209.11650	0.5
212.04645	0.3
213.05469	1.2
219.06464	0.9
223.03978	0.3
227.03389	0.4
227.07036	0.4
227.09166	0.5
229.04953	0.5
237.11064	0.4
240.04192	1.2
241.04938	4.0
241.07599	0.2
241.08488	0.3
241.10693	0.3
244.03557	0.4
250.06227	0.7
251.06950	0.5
253.04935	0.8
254.05646	0.3
255.06339	0.6
257.04419	2.5
263.37393	0.2
265.08466	0.3
267.06396	0.7
269.04422	18.9
270.04694	0.5
275.06992	0.8
278.05698	1.3
279.06491	0.9
281.04410	1.0
282.05203	1.0
283.05960	1.2
283.09399	0.3
293.08057	9.7
293.21295	0.3
294.08420	0.4
295.05981	9.6
295.09302	0.5
296.06760	7.1
309.07697	0.3
310.04724	2.7
311.09097	100.0
311.19980	1.4
312.09375	3.6
319.15778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.091
Annotation	Nigrolineaxanthone H
Peak:m/z	Relative Intensity
54.77479	0.3
55.05478	0.3
56.04421	0.3
57.07038	1.2
58.23170	0.3
67.05456	0.7
68.99776	0.5
69.03418	0.3
69.07042	0.3
70.30409	0.3
72.07523	0.3
72.22929	0.2
79.05467	0.3
80.86506	0.3
81.07022	0.4
91.05492	0.3
93.07014	0.4
95.08565	0.8
97.10008	0.2
98.21444	0.7
99.63426	0.3
105.06987	0.3
110.56702	0.3
111.04435	0.7
121.06378	0.3
143.08502	0.3
145.10117	0.4
153.05414	0.8
161.02347	0.3
163.11220	0.5
165.09113	0.4
173.09587	0.6
175.11330	0.3
181.12184	0.4
191.10616	0.4
199.03827	0.5
201.05457	1.0
209.11671	2.9
212.04678	0.7
213.05476	1.9
216.04323	0.4
223.03955	0.7
227.03200	0.5
237.11179	2.6
240.04196	3.4
241.04933	10.4
241.91479	0.3
242.05283	0.3
244.03659	0.8
245.04373	0.6
253.04811	0.4
255.06360	0.4
255.12274	0.6
257.04355	1.7
265.08609	0.3
269.04419	72.8
270.04785	2.5
281.04477	0.6
282.05142	0.5
283.06082	0.4
283.09622	0.4
293.08023	1.3
295.06030	4.1
296.06683	2.9
311.09103	100.0
311.19421	1.9
312.09427	3.4
321.00177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0908
Annotation	Nigrolineaxanthone F
Peak:m/z	Relative Intensity
55.01845	0.3
55.05506	1.3
57.07055	0.5
65.03919	0.7
67.05209	0.2
67.05495	2.8
69.03390	0.7
69.07030	0.9
71.04962	0.9
71.79277	0.4
79.05482	1.5
81.03401	0.3
81.07030	1.3
83.01289	0.4
83.04932	0.4
83.08608	0.5
83.89320	0.2
85.02881	0.5
85.06525	0.7
91.05473	1.4
92.99730	0.3
93.07026	3.4
95.04937	0.5
95.08575	0.9
97.02870	0.4
97.06515	0.3
98.98421	0.4
99.04420	0.3
100.11245	0.8
105.07005	1.0
105.18907	0.2
107.04893	0.3
107.08566	1.5
109.02833	0.3
109.10179	0.4
111.04412	0.4
111.08095	0.3
113.06010	0.5
115.05461	0.3
119.08527	0.4
121.02762	0.3
121.06461	0.3
121.10109	2.6
125.05972	0.3
129.06970	0.3
131.08543	0.5
133.10162	0.3
135.08006	0.5
135.11656	0.3
137.02309	1.4
137.05931	0.5
145.10147	0.3
149.09578	1.0
149.13225	0.9
153.05426	0.6
155.04840	0.3
157.06554	0.4
163.07516	0.6
167.07106	0.4
169.04807	0.3
171.04370	0.4
175.07512	0.4
177.09142	0.4
179.07019	0.4
181.08504	0.5
183.06448	0.3
184.16946	1.2
185.05962	0.9
187.07349	0.3
189.05428	0.6
191.06976	0.5
192.07761	0.3
193.08705	0.5
197.08055	0.5
199.04021	0.3
199.31993	0.3
201.05457	0.6
203.03336	1.5
205.08551	1.5
205.12163	0.5
207.06424	0.8
209.08031	0.4
213.05441	2.5
215.10606	0.3
219.08148	0.3
221.08072	0.9
223.09572	1.7
225.05553	0.5
225.07579	1.1
227.07010	0.6
227.09021	0.4
228.04080	0.5
229.01372	0.4
229.04906	3.7
229.12245	0.5
230.15932	0.3
231.02914	0.4
233.11713	1.4
235.09546	0.3
237.05373	0.3
237.09209	0.3
241.04927	15.7
242.05408	0.6
244.03764	0.3
245.04350	1.6
247.02325	1.8
247.07549	0.3
250.06265	1.7
251.12698	1.2
253.04956	2.0
255.06517	3.7
257.04413	39.3
257.11627	1.6
258.04733	1.1
265.05212	0.5
265.08578	2.2
266.20953	0.4
267.06479	0.6
268.03726	1.4
269.04425	13.7
269.08014	2.9
270.04993	0.6
271.05951	1.1
275.06982	0.4
275.12833	1.7
275.19998	0.8
278.05704	5.3
281.04398	5.6
282.05185	6.9
283.05969	4.3
283.09583	1.3
293.08060	8.4
293.13446	1.2
293.21072	0.7
294.20572	1.6
295.05920	2.4
296.06714	6.0
311.09091	100.0
311.14914	6.0
312.09418	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0909
Annotation	Nigrolineaxanthone H
Peak:m/z	Relative Intensity
59.52069	0.3
67.01291	0.3
67.05483	1.2
69.86200	2.5
119.35384	0.3
119.62650	0.4
135.13322	0.3
137.02290	0.8
171.04443	0.5
174.22781	0.4
203.03465	0.5
213.05455	1.1
218.55148	0.4
228.04089	0.4
229.04890	1.2
240.04147	0.7
241.04933	7.6
242.05251	0.7
245.04391	0.9
247.02379	0.9
250.06299	0.8
253.04904	2.7
255.06493	2.2
256.65225	0.4
257.04431	21.2
258.04837	0.9
265.08597	1.1
267.06482	0.6
268.03708	0.8
268.06842	0.4
269.04419	11.8
269.07977	2.0
270.05008	0.6
275.06921	0.5
278.05707	2.8
281.04410	3.2
282.05215	4.7
283.05975	3.4
283.09616	1.0
293.08005	9.0
294.08475	0.8
295.05966	3.5
296.06723	6.4
297.07126	0.5
309.07611	0.4
311.09091	100.0
312.09436	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	311.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05495	1.2
57.06831	0.3
57.07068	3.4
63.87989	0.3
67.03925	0.3
67.05503	1.7
68.99776	0.7
69.07056	1.8
69.65165	3.4
70.04060	0.7
71.04968	0.9
71.83685	0.4
79.05473	1.3
81.07051	2.2
83.04958	1.4
83.08619	0.9
83.24792	0.4
91.05460	1.2
93.07017	1.6
93.45683	0.4
95.04958	0.7
95.08585	1.4
97.06510	0.8
97.10177	0.6
103.20866	0.4
105.07001	1.4
107.04924	0.6
107.08606	1.8
109.02853	0.7
109.06463	0.7
109.10150	0.6
111.04430	1.9
111.08073	0.8
117.06961	0.5
119.08556	2.3
121.06493	0.7
121.10124	1.1
123.08000	0.7
125.02407	0.4
125.05952	0.8
125.09647	0.6
127.01096	0.3
129.06979	0.5
131.08569	0.7
133.10127	0.6
135.04471	0.4
135.11682	0.6
137.05946	0.6
137.09613	0.5
141.06996	0.4
145.10139	1.2
147.11650	0.6
149.09552	0.5
153.01793	0.9
153.05457	2.1
157.10152	0.6
159.11650	0.4
163.07581	0.6
165.09077	0.4
167.07091	0.4
167.08522	0.4
169.10036	0.4
173.09546	0.6
175.07535	0.5
177.05490	1.6
179.03371	6.7
181.04956	0.4
181.08534	0.4
181.12308	0.8
181.13843	0.4
183.06621	0.3
183.11717	0.5
185.05911	0.5
191.07053	0.8
191.10643	1.3
195.04724	0.6
195.06474	3.4
196.07466	0.5
197.04443	2.2
197.09515	0.4
199.03825	0.6
200.04767	0.6
201.05420	0.6
203.07047	0.7
205.08627	0.5
209.11699	9.6
209.13524	0.7
212.04628	0.6
213.05499	1.6
221.08095	0.7
223.03931	0.5
223.09520	0.6
225.09183	0.4
226.06375	0.4
227.03424	0.5
229.04961	1.2
235.09621	13.5
236.09914	0.4
237.11159	7.5
240.04092	2.5
241.04924	6.9
244.03636	1.1
249.14745	0.4
250.06279	1.0
251.12834	1.1
253.04939	5.5
254.05531	0.5
255.06631	1.0
255.12184	2.0
257.04440	7.2
265.08636	0.4
265.17969	0.7
267.06448	0.9
268.07358	0.8
269.04431	26.4
269.07446	1.1
270.04803	0.6
275.20093	1.2
277.14282	1.2
278.05530	0.8
278.15091	8.6
281.04404	2.9
282.05142	2.6
283.05994	4.1
283.09586	1.3
293.08038	15.8
293.17346	1.3
293.21014	1.2
294.05240	0.5
294.08441	0.5
295.06003	11.7
296.06747	12.4
297.07260	0.5
309.07538	1.0
311.09103	100.0
311.14999	5.0
311.19879	3.5
311.24545	1.2
312.09421	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	311.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05492	0.2
64.83714	0.1
65.03911	0.4
67.05493	1.7
68.99776	0.1
69.75845	0.7
74.39489	0.1
77.96024	0.1
79.05479	0.1
79.64159	0.1
81.07015	0.3
83.08595	0.1
85.06524	0.1
91.05493	0.1
92.99751	0.2
93.06988	0.1
95.08585	0.1
96.73100	0.1
107.04928	0.1
109.02838	0.1
109.06479	0.2
112.04724	0.1
115.05388	0.1
117.06948	0.2
119.08528	0.1
121.02814	0.2
121.10076	0.1
129.06985	0.2
137.02310	1.2
145.10103	0.1
147.04411	0.2
157.06459	0.2
169.06358	0.1
171.04457	0.5
173.05988	0.1
175.03619	0.1
185.05968	0.4
189.05450	0.4
190.07765	0.1
194.07224	0.2
197.06088	0.1
199.03906	0.2
201.05437	0.5
203.03339	1.2
207.02878	0.1
209.06084	0.1
209.09546	0.1
211.03989	0.1
212.04643	0.3
213.05443	1.7
215.03310	0.2
219.08029	0.2
221.04248	0.1
222.06760	0.1
225.05363	0.3
226.06056	0.1
227.03448	0.1
227.06995	0.5
228.04160	0.6
229.01294	0.3
229.04916	3.2
230.05263	0.1
231.02805	0.3
233.04181	0.1
237.05423	0.4
237.09068	0.2
239.03401	0.2
240.04057	0.1
241.04919	14.3
242.05243	0.4
243.06557	0.2
244.03619	0.3
245.04465	1.4
247.02339	1.5
247.07515	0.2
250.06227	1.5
251.06937	0.3
253.04968	1.6
254.05779	0.2
255.02887	0.2
255.06497	2.9
256.06885	0.1
257.04404	35.1
258.04730	0.9
263.07056	0.1
265.05206	0.2
265.08563	2.2
267.06390	0.6
268.03635	1.2
268.06656	0.1
269.04425	13.0
269.07999	2.5
270.04813	0.4
270.08475	0.1
271.05991	1.1
275.06967	0.4
275.20129	0.1
278.05704	4.4
279.06375	0.3
281.04407	5.0
282.05176	7.1
283.05957	3.5
283.09567	1.3
284.06210	0.1
292.07162	0.2
293.08032	7.1
294.08588	0.3
295.05975	1.9
296.06757	5.4
311.09079	100.0
312.09402	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	311.0906
Annotation	Nigrolineaxanthone F
Peak:m/z	Relative Intensity
51.14767	0.1
55.05483	0.3
61.94855	0.1
65.03918	0.4
65.30535	0.1
67.05493	1.6
69.03356	0.1
69.07044	0.1
71.33326	0.2
74.15396	0.1
74.77747	0.1
76.67587	0.1
79.05466	0.2
81.07018	0.3
83.04912	0.1
84.80735	0.1
85.06490	0.1
91.05453	0.2
91.82867	0.1
92.99750	0.2
93.03430	0.1
93.07021	0.1
95.08578	0.1
105.06960	0.1
107.04912	0.2
107.08540	0.1
109.02840	0.1
109.06514	0.1
115.05433	0.1
117.06948	0.1
119.08492	0.1
121.02849	0.2
128.06206	0.1
129.06981	0.3
129.18231	0.1
133.02769	0.1
134.15234	0.1
137.02313	1.3
138.02737	0.1
141.06943	0.1
145.06380	0.1
147.04413	0.1
155.04709	0.1
156.05656	0.1
157.06555	0.3
159.11626	0.1
160.73569	0.1
162.42854	0.1
166.07780	0.1
171.04315	0.4
173.05954	0.1
174.87920	0.1
179.60588	0.1
181.10129	0.1
185.05948	0.4
189.05453	0.4
191.08482	0.1
194.07268	0.1
195.04370	0.1
197.05931	0.2
199.03967	0.1
200.04655	0.1
201.05482	0.5
203.03343	1.1
207.02856	0.2
209.09645	0.2
212.04643	0.2
213.03375	0.1
213.05450	1.9
215.03374	0.1
219.08032	0.2
221.04266	0.1
221.06104	0.1
222.06650	0.1
223.03964	0.1
225.05470	0.3
226.06259	0.3
227.03371	0.1
227.06894	0.5
228.04146	0.6
229.01326	0.2
229.04933	3.0
230.05403	0.1
231.02849	0.2
237.05518	0.4
237.09041	0.2
239.03365	0.2
240.04099	0.1
241.04918	13.6
242.05170	0.4
243.06409	0.2
244.03627	0.3
245.04408	1.5
247.02339	1.8
247.07549	0.3
250.06213	1.4
251.06940	0.3
253.04941	1.8
254.05708	0.3
255.02769	0.1
255.03366	0.1
255.06485	3.2
257.04407	36.2
258.04749	1.0
264.07953	0.1
265.05081	0.2
265.08560	2.0
266.08917	0.1
267.06494	0.7
267.09610	0.1
268.03671	1.1
268.06689	0.1
269.04413	13.1
269.07965	2.6
270.04849	0.5
271.06000	1.2
275.07028	0.3
278.02615	0.1
278.05695	4.2
279.06247	0.5
281.04419	5.1
282.05182	7.1
283.05948	3.5
283.09561	1.4
284.06345	0.1
292.07339	0.2
293.08035	7.6
294.08514	0.4
295.05975	2.0
296.06738	5.8
297.07187	0.1
311.09079	100.0
312.09412	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	310.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75663	0.4
55.01854	0.6
55.05495	0.5
56.05019	1.5
56.55456	0.4
57.03424	0.7
57.07072	2.0
67.05476	0.6
68.05016	3.5
69.03408	0.8
70.06593	0.7
70.12378	2.4
71.04972	0.4
72.08108	0.5
80.04554	0.4
80.05006	7.0
81.07027	1.0
82.02692	0.3
82.06575	0.5
84.04465	0.5
84.20098	0.3
85.02875	1.2
86.09707	0.4
91.05418	0.5
93.07035	0.8
95.04964	0.5
95.08575	1.2
97.02837	0.5
97.06468	0.4
98.05999	0.6
100.03931	0.5
103.05389	0.6
105.07014	0.6
107.04928	0.8
107.08602	0.4
109.06497	0.9
111.04424	0.4
113.09607	1.3
116.07048	0.6
117.06990	0.5
121.06464	0.7
123.03529	0.6
123.04411	10.7
123.08041	2.1
127.03831	0.4
131.04936	0.8
131.10667	2.2
133.06465	0.5
133.10126	1.4
137.05960	3.3
137.09563	0.5
139.03873	0.5
144.06555	1.1
145.06459	0.9
147.04395	9.5
147.07921	0.4
149.05945	1.5
149.09564	0.7
149.98270	0.4
150.06720	1.3
151.11188	0.4
161.05940	0.8
163.07587	0.7
167.10660	0.4
172.07585	1.3
173.05962	2.1
174.06737	10.8
175.07487	1.3
175.11168	0.4
177.05411	0.5
179.10651	42.4
180.11037	1.1
187.07455	0.4
188.08305	0.5
190.08591	5.1
191.03345	0.4
191.07027	0.8
201.05412	0.9
203.10645	58.5
204.10968	1.7
205.12250	1.5
218.08015	1.0
219.06477	0.7
229.12221	1.6
231.99069	0.3
236.09175	2.5
246.14882	19.5
247.07401	0.4
256.13193	0.4
257.11774	0.3
292.15390	100.0
293.16235	2.0
310.16452	40.5
311.05206	1.0
311.08969	0.6
311.13144	0.4
311.16678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05536	0.5
55.01847	0.7
56.05016	1.6
56.13814	0.5
57.07053	1.3
65.03928	0.6
67.05487	0.7
68.04678	0.6
68.05004	2.5
69.03414	0.9
70.06561	0.7
71.80930	1.0
74.02432	1.1
77.87728	0.6
79.05503	0.8
80.05003	7.9
81.07031	0.9
81.89182	0.6
82.06584	0.7
91.05470	0.6
93.03389	1.8
95.04923	0.8
107.04945	1.2
109.06478	2.3
110.63440	0.5
114.05477	0.7
121.02855	0.9
121.06488	0.7
122.54542	0.6
123.04421	10.3
129.07016	0.9
132.40411	0.5
133.06462	0.9
133.10066	0.6
135.04366	0.6
137.05960	11.8
144.06514	0.7
145.10091	1.3
147.04350	2.0
147.08043	0.7
149.05937	1.3
155.08484	1.4
159.08055	1.4
160.05260	2.7
161.05968	12.2
163.07484	0.8
165.01797	1.1
165.06960	1.1
167.10669	0.7
172.07513	0.7
173.06062	1.1
173.09581	3.6
175.07507	1.8
177.05432	1.2
179.07059	2.0
179.10658	43.0
180.11034	0.7
183.08069	5.1
185.05956	2.3
185.09618	0.8
187.03836	0.9
187.07472	1.5
191.06989	2.2
198.06717	0.6
199.07483	1.2
200.10660	1.0
201.09084	8.7
203.07037	10.6
203.10658	65.7
204.07422	0.6
204.11015	1.3
205.04904	1.1
205.12213	1.3
211.07477	2.9
213.09131	0.7
215.07074	1.3
219.10146	1.5
228.10188	1.6
229.08591	18.2
229.12221	1.8
230.08817	0.7
230.11777	1.0
231.10147	0.8
239.06898	1.0
246.11218	24.2
246.14867	21.4
247.09549	1.6
257.08051	1.4
275.09100	2.4
292.11740	100.0
292.15366	91.1
293.12061	5.6
293.15729	3.2
310.12906	3.7
310.16425	37.9
311.09470	1.3
311.12820	0.8
311.16577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.94494	0.6
55.05491	2.1
57.03424	1.0
57.07044	1.6
60.84149	0.7
61.02918	0.9
65.03935	0.8
66.04259	0.6
67.05491	17.3
69.03403	2.0
71.04978	41.1
71.17757	1.7
73.24638	0.5
81.03403	1.0
85.02899	6.5
85.06530	9.8
87.04447	0.8
95.04945	5.1
97.02874	1.8
97.94292	0.7
109.13818	0.5
110.07172	1.0
113.05985	100.0
114.06332	2.5
127.03868	1.1
131.07018	45.4
132.07367	0.9
139.80296	0.6
145.04939	2.5
145.10495	0.7
233.88643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1645
Annotation	Fulvine
Peak:m/z	Relative Intensity
52.26339	0.4
55.01846	0.7
55.05502	2.6
56.05031	5.0
63.30627	0.4
67.05489	1.5
68.05017	0.7
69.03400	0.7
69.07051	0.8
70.06572	0.9
71.41174	1.2
74.02434	4.1
74.76527	0.4
79.05473	1.0
81.07050	2.0
81.80513	0.4
82.06573	5.0
83.01340	0.5
84.08133	1.2
85.02883	0.5
91.05458	2.0
92.51223	0.4
93.07021	1.5
95.04932	0.7
95.08609	0.6
96.08080	0.5
97.02854	0.7
97.06509	0.6
103.05389	0.5
105.06996	1.3
107.04931	1.3
107.08569	1.1
109.06512	4.1
111.04395	0.7
111.08078	0.5
114.05553	0.4
119.08546	0.9
121.06493	2.0
121.10149	0.5
123.04408	2.9
123.08047	0.6
124.07571	10.5
125.05976	1.0
128.06224	0.8
128.07065	2.6
129.06981	1.1
131.04872	0.5
131.08583	2.4
131.10747	0.9
133.06491	1.4
135.04391	1.3
135.08026	1.6
137.05948	0.9
139.03871	5.1
139.67754	0.4
143.08527	1.0
145.06526	0.5
147.04437	2.2
147.08011	1.4
148.05190	0.8
149.05960	4.9
149.09621	1.5
157.06453	1.6
158.07272	0.6
159.08064	4.7
161.05981	7.5
161.09628	0.8
163.07555	1.0
165.09026	0.7
171.08028	4.9
173.06059	0.4
175.07545	4.4
176.10649	0.5
177.09091	15.1
180.02931	0.4
185.09590	2.3
187.07535	2.8
187.11169	0.6
189.09081	2.1
191.10677	0.7
192.10114	0.6
193.92630	0.4
195.10152	17.2
196.10596	0.5
197.01233	0.5
197.97095	0.4
201.09076	1.5
203.10666	5.6
204.10254	1.1
209.01199	0.5
213.12749	2.1
218.11717	1.3
219.10170	0.7
221.11697	6.8
227.02159	0.9
229.12189	2.4
231.13725	5.1
246.14838	2.7
247.13283	2.3
248.16429	2.5
249.14914	2.6
264.15936	18.0
266.17471	1.6
275.12854	1.0
292.12051	0.8
292.15329	4.4
293.13824	1.6
310.16449	100.0
311.05295	0.8
311.16904	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	310.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.09588	0.5
56.05011	2.0
57.07049	1.9
68.05019	2.8
68.09781	0.5
68.99774	0.5
69.03420	0.9
69.07014	0.5
70.06573	0.6
71.81323	0.8
74.02408	1.3
75.35088	0.5
79.05454	0.9
80.05003	8.5
81.07030	1.2
82.06524	0.7
85.02870	1.0
91.05437	1.4
93.03376	1.8
94.06500	0.6
95.04938	1.2
96.70387	0.7
100.03931	0.9
105.03379	0.7
105.06989	1.2
107.04922	1.4
109.06485	2.7
113.09595	0.5
114.05436	0.6
115.05406	0.7
117.07011	0.6
119.04938	1.0
121.02841	1.5
121.06454	0.8
123.04419	10.7
127.03892	0.6
129.06985	0.6
131.10588	0.6
133.06442	1.0
135.04390	1.2
137.02266	0.7
137.05957	14.2
144.06503	1.0
145.06427	0.7
145.10115	1.0
147.04404	2.8
147.07962	0.9
149.05901	0.7
155.08479	1.5
157.06427	0.6
159.08006	1.4
160.05171	2.6
161.04703	1.0
161.05952	11.7
163.03880	1.1
165.01801	2.7
165.06996	0.8
167.03372	0.7
167.10733	0.6
172.07553	0.6
173.05916	1.5
173.09590	3.7
175.07498	1.8
177.05415	1.2
179.03442	0.6
179.07219	2.4
179.10643	42.5
180.10979	0.7
183.08063	4.4
185.05956	2.5
185.09630	0.6
187.07495	1.1
188.07005	0.7
191.03366	1.0
191.06976	1.7
199.07468	0.9
200.08321	1.1
201.05492	0.8
201.09084	6.4
202.12505	0.6
203.07045	11.9
203.10640	63.9
204.07234	0.7
204.10963	2.5
205.05058	0.6
205.08597	0.6
205.12144	1.3
211.07462	1.8
213.09033	0.9
215.06963	1.4
219.10109	1.6
228.10114	1.6
228.13779	0.7
229.08562	17.0
229.11984	2.5
230.08978	0.8
230.11714	0.8
231.10211	1.3
233.04384	1.0
241.07816	0.5
246.11186	24.3
246.14836	18.1
247.09572	1.5
247.11630	1.0
247.15250	0.7
251.52968	0.5
257.07938	1.8
274.14285	0.5
275.09128	2.4
275.11942	0.5
292.11716	100.0
292.15344	93.1
293.12057	6.1
293.15683	2.6
293.35571	0.6
310.12741	4.2
310.16397	37.3
311.05426	1.0
311.09164	1.4
311.13046	0.5
311.16650	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2783
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03938	1.0
55.01855	1.5
55.05504	15.1
57.03429	1.1
57.07069	11.4
57.53478	0.7
59.04996	2.5
67.05142	0.8
67.05500	17.7
69.03425	3.6
69.07062	50.7
70.07409	1.2
70.93976	2.0
70.94326	0.6
71.04978	3.1
71.08629	2.2
73.06556	1.7
74.52847	0.6
75.17371	0.7
79.05479	11.1
80.05398	0.6
81.03401	0.8
81.07049	95.3
82.07384	1.8
83.04979	2.8
83.08610	15.2
83.09081	1.2
85.06533	9.9
91.05462	5.6
93.07038	22.2
94.07338	0.8
95.04958	2.7
95.08597	43.3
96.08922	1.3
97.06522	8.5
97.10155	4.0
99.08077	3.4
105.07024	10.7
107.08579	18.2
109.06487	2.1
109.10145	23.9
111.08077	6.6
111.11703	10.8
113.09628	0.9
117.07003	1.0
119.08546	6.1
121.10140	10.9
123.08089	1.2
123.11696	100.0
124.12002	3.1
125.09615	1.5
125.13255	2.2
127.11189	1.3
131.08530	1.1
133.10120	2.7
135.11684	15.0
137.09651	1.1
137.13258	7.8
139.11189	4.2
147.11699	4.8
149.13249	10.4
150.13585	0.7
151.14806	2.0
153.12729	17.3
155.14291	1.6
161.13264	3.0
163.14796	5.1
165.12732	4.2
165.16382	1.0
167.14285	1.5
175.14804	0.9
177.16411	2.1
183.13812	1.3
189.16420	1.5
191.17990	1.7
203.17905	1.3
205.19449	0.9
214.08916	0.6
217.19528	1.9
259.13840	0.7
261.08850	0.6
273.18521	0.9
273.25687	4.0
275.83011	0.6
279.26904	0.9
281.08145	0.7
291.19650	1.2
291.26736	7.1
294.05124	0.9
309.04538	0.7
309.07538	4.2
309.11301	1.9
309.27811	7.7
310.27997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	5.9
53.66610	2.4
55.01851	5.0
55.05500	21.3
57.03420	7.2
57.06813	2.1
57.07069	30.5
65.03934	3.0
67.05497	40.8
69.03412	8.1
69.07059	30.6
69.64614	4.4
69.65030	16.4
70.04943	2.5
71.04984	5.7
71.08626	3.6
74.60092	2.3
79.05482	37.2
81.03403	5.6
81.06568	2.7
81.07048	49.9
83.04972	28.0
83.08591	7.1
85.06529	7.7
91.04933	4.6
91.05466	52.4
93.07032	88.0
95.04955	65.0
95.08594	56.3
95.09204	3.1
97.06511	26.6
103.05476	4.2
105.07017	99.6
107.04913	7.1
107.08582	59.5
109.06496	18.3
109.10149	27.5
111.08081	2.6
115.05474	3.2
116.06182	2.5
117.07011	18.8
119.08562	74.2
121.06501	13.5
121.09277	5.3
121.10132	100.0
122.10441	2.9
123.08021	15.7
123.11682	8.6
128.06197	9.9
129.06981	15.5
130.07788	5.7
131.08554	42.2
133.06505	3.1
133.10117	44.4
135.08035	15.3
135.11693	15.6
137.09599	3.7
141.05452	2.8
141.06982	7.2
142.07758	15.8
143.08548	30.4
144.09319	9.0
145.06441	5.7
145.10110	54.0
147.08031	6.4
147.11694	18.1
149.09564	5.9
153.05499	2.6
154.07710	3.6
155.08562	12.5
156.09369	12.1
157.10110	43.1
158.10915	7.9
159.08011	7.2
159.11684	45.7
161.09630	12.3
161.13261	7.5
163.11174	3.9
165.05449	3.3
165.09056	5.8
167.08591	7.5
168.09236	4.7
168.63509	2.4
169.04944	8.0
169.10133	21.3
170.10860	8.0
171.11690	19.9
172.08844	2.4
173.09599	10.9
173.13203	14.9
175.11168	2.7
175.14792	9.7
179.08559	7.2
181.08632	3.4
181.10088	6.1
182.10809	3.5
183.08054	3.9
183.11664	16.5
184.12399	2.7
185.13293	13.2
187.11151	11.6
187.14807	24.9
189.08992	2.3
189.12682	5.8
191.10631	2.7
192.09288	2.9
193.08540	4.0
193.10147	5.7
195.11665	10.8
196.12375	3.7
197.09723	2.5
197.13246	15.3
199.11165	5.6
199.14839	12.2
203.10637	3.7
206.10883	2.9
207.11710	9.1
209.13235	11.5
210.13930	3.4
211.11215	3.8
211.14764	9.9
213.16368	5.3
215.14331	3.1
217.15865	2.8
219.10150	6.6
221.07993	2.7
221.13246	6.8
223.14824	7.4
225.11174	9.9
225.16370	4.8
227.14206	2.6
235.14833	7.8
237.16284	2.8
239.14398	4.7
239.17940	4.8
241.15939	4.7
249.16513	3.3
252.18625	2.9
253.15813	5.5
253.19461	4.2
263.18155	2.9
265.19342	5.2
281.18961	9.0
281.22531	7.6
291.15805	20.4
291.20944	8.1
292.15268	3.1
309.07434	8.0
309.14389	3.6
309.18268	32.5
309.22086	66.3
310.18909	3.4
310.22415	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	4.1
55.01857	15.5
55.05503	33.4
57.03425	4.5
57.07059	5.9
65.03899	2.4
67.05136	3.3
67.05495	66.3
69.03419	6.5
69.07059	30.8
71.04998	10.3
75.89297	2.1
79.05482	38.4
81.03406	3.4
81.07050	90.4
83.01324	3.2
83.04961	12.9
83.08596	10.9
85.06529	9.3
91.05468	49.0
93.07033	50.6
94.56052	2.1
95.04966	15.6
95.08595	32.1
97.06538	10.0
97.10173	3.8
98.12705	2.0
99.04445	6.0
100.92475	2.4
105.07014	56.6
107.04942	9.4
107.08578	51.6
109.06487	15.4
109.10142	81.5
111.04428	7.5
111.08062	9.9
113.06008	3.4
117.07005	8.3
119.08578	17.5
121.06474	11.0
121.10123	14.3
123.08040	8.3
123.11681	21.8
125.05982	3.5
125.09637	4.3
127.07542	6.5
128.06146	2.4
129.06996	6.1
131.08551	16.2
133.06537	10.2
133.10109	100.0
134.10439	3.8
135.08047	9.3
135.11664	9.6
137.06009	3.9
137.09558	4.6
139.07512	4.0
139.11215	2.2
143.08577	4.8
145.10085	13.2
147.08057	9.0
147.11673	8.5
149.09575	8.3
151.11169	71.2
152.11551	3.4
157.10138	7.4
159.08038	2.6
159.11711	4.7
161.09618	10.7
161.13263	3.9
163.11217	3.6
165.09103	3.3
167.10680	3.1
169.12216	23.3
171.11696	6.9
173.09590	5.6
175.11166	5.2
177.12814	2.7
179.10651	5.3
179.14294	3.5
181.08582	5.7
185.13222	2.9
199.11099	3.3
203.14240	4.0
215.12813	5.7
217.12299	2.6
223.13342	2.5
227.17963	3.6
245.18976	16.9
255.17250	5.0
263.20087	10.3
273.18448	32.5
274.18823	3.2
281.19012	3.8
291.16382	3.5
291.19550	64.6
292.19833	7.3
309.07520	5.2
309.18002	14.0
309.20624	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	309.2054
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.60351	1.0
55.01858	4.9
55.05494	4.3
57.03425	28.6
57.07062	2.3
63.55700	0.9
65.03937	1.8
65.49400	1.1
66.30195	1.1
67.05498	25.4
69.03418	3.0
69.07051	3.2
69.44716	13.5
71.04986	3.7
78.14825	1.3
79.05467	11.2
81.03402	1.1
81.07047	11.2
83.04951	1.6
83.08616	2.2
85.06528	28.6
91.05464	10.6
93.07030	12.7
95.04952	41.2
95.08591	7.3
95.79274	1.3
96.05323	1.3
105.07026	7.8
107.04942	3.3
107.08584	8.4
109.06502	34.0
109.07224	2.3
109.10107	2.2
110.06824	1.5
111.08047	2.2
111.14937	1.3
113.05986	100.0
117.07011	5.1
119.08580	4.3
121.06495	1.8
121.10132	3.4
123.08072	2.4
129.07013	3.8
131.08557	8.3
133.10133	4.7
135.08032	29.5
135.11656	3.3
143.08527	4.3
145.10114	4.1
147.08083	1.2
147.11711	1.4
149.09612	2.6
157.10153	3.0
159.08014	1.5
159.11723	3.9
161.09619	4.2
163.11154	1.5
171.11708	1.7
173.13194	2.0
177.12756	1.8
185.13173	1.3
195.11632	1.3
199.14774	1.9
217.15823	12.9
239.87944	1.1
255.17418	1.5
273.18445	14.9
291.19501	49.5
292.19943	3.7
309.07452	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03926	1.6
55.01849	3.1
55.05251	1.2
55.05501	19.3
57.03421	1.2
57.07055	2.0
59.04976	1.0
65.03911	0.7
67.05496	12.0
69.03430	3.6
69.07057	13.6
71.04955	0.9
71.78351	1.5
79.05481	12.4
81.03404	2.7
81.06575	0.8
81.07044	14.4
83.04964	2.4
83.08604	12.4
85.06512	1.4
91.05463	8.0
92.05830	0.9
93.07036	9.3
94.78430	0.7
95.01311	0.9
95.04975	5.7
95.08606	7.2
97.02940	1.5
97.06524	2.2
97.10159	15.8
105.07030	6.3
107.04911	2.2
107.08579	8.2
107.35492	0.7
109.06503	2.1
109.10123	3.6
111.04444	1.4
111.08069	1.5
117.06988	3.1
119.04934	1.4
119.08555	6.2
121.06468	0.9
121.10116	3.3
123.08053	4.8
123.11699	4.2
125.09602	12.0
129.06970	1.4
131.08542	4.2
133.06470	1.6
133.10112	2.5
135.07993	2.6
135.11641	1.6
137.09576	2.3
139.07437	1.0
143.08496	2.3
145.10091	3.1
147.08031	2.7
147.11668	2.7
149.09595	1.4
155.04890	0.8
157.10124	2.0
161.09634	1.8
162.10371	1.0
163.11145	1.7
165.09090	2.2
171.10196	0.9
171.11600	0.8
189.11200	7.2
189.12741	1.3
191.10513	0.8
193.12204	1.1
213.12697	1.0
221.11795	1.0
223.13287	5.9
245.18922	1.2
249.14915	1.6
255.17349	1.2
263.20117	0.8
273.18451	10.3
291.19507	100.0
292.19830	5.9
309.07501	0.8
309.20694	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	309.1691
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
53.03931	1.5
55.01857	6.5
55.05505	22.6
57.03427	3.8
57.06633	1.6
57.07069	33.4
58.63624	1.5
67.05487	10.4
67.90652	1.6
69.03431	1.6
69.07054	10.0
70.44346	1.4
71.04961	2.1
71.25394	4.5
79.05479	16.2
81.03394	1.9
81.07046	24.5
83.01318	2.5
83.04967	37.9
83.08622	2.8
85.06525	8.5
91.05469	20.4
92.20264	1.5
93.07034	32.9
95.04955	20.6
95.08597	19.5
97.06525	7.0
99.04479	4.0
100.99446	1.6
103.05482	2.3
105.03367	1.8
105.07010	34.1
107.04987	2.3
107.07040	1.7
107.08579	21.1
109.02863	3.1
109.06512	14.0
109.10143	9.5
111.08067	1.7
115.05423	3.6
117.06241	1.8
117.07016	6.7
119.04950	2.2
119.08568	30.9
121.06488	7.1
121.10122	36.4
123.04406	6.9
123.08062	9.6
123.11715	3.2
127.07539	6.0
128.06244	3.4
129.07013	5.5
131.08557	15.2
133.10115	19.9
135.04402	2.7
135.08028	27.4
135.11685	7.4
137.05968	4.2
137.09624	2.4
141.06955	2.2
142.07793	6.6
143.08533	14.8
144.09299	2.3
145.10106	20.6
147.08049	10.2
147.11655	4.7
149.09633	4.8
151.03854	14.1
154.07770	1.9
155.08548	4.6
156.09270	2.8
157.10097	16.9
159.11699	15.4
161.09616	10.8
161.13222	4.9
163.07542	6.1
165.09120	8.7
169.04959	7.4
169.10132	8.8
170.10916	2.4
171.08087	4.0
171.11700	7.2
172.08887	1.7
173.09624	3.0
173.13307	6.6
175.07513	13.5
175.14738	2.7
179.03371	16.5
179.08571	2.5
179.10695	2.9
180.09465	2.1
181.08568	1.8
181.10071	2.4
182.10880	2.7
183.11644	4.4
185.09636	2.4
185.13220	4.6
187.11176	5.7
187.14787	7.8
189.09087	30.5
189.12650	2.4
191.06985	2.9
193.08595	10.0
194.10889	3.3
195.11650	3.8
197.04509	5.0
197.13191	3.7
199.07521	2.5
199.14818	4.1
201.12633	1.9
203.10750	2.5
207.10127	39.7
207.11938	2.3
209.13220	4.0
211.14821	4.2
213.12666	2.0
217.08594	50.6
221.13322	3.5
221.98582	1.6
223.14767	1.8
225.11154	18.2
225.16301	1.9
229.08649	3.0
231.10153	1.9
231.13773	6.0
235.09610	71.7
235.14754	3.7
237.12717	1.7
239.17995	2.2
243.83092	1.8
245.15303	3.6
249.14755	3.0
253.10672	35.5
253.19312	2.7
254.11115	1.7
255.13812	2.6
263.16364	15.3
273.14825	41.4
281.19241	1.9
281.22458	1.8
291.15878	100.0
292.16235	3.5
309.07568	4.0
309.17017	58.9
309.22134	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1692
Annotation	Cytosporin A
Peak:m/z	Relative Intensity
53.03946	2.4
55.01859	10.3
55.05502	17.0
55.77002	2.3
57.01946	1.9
57.03425	4.3
57.07068	49.3
57.48336	1.8
59.63538	1.7
64.96545	2.5
67.01831	2.5
67.05492	32.3
69.03419	3.4
69.07059	31.9
70.53050	2.2
70.53395	9.6
71.04967	3.9
75.79896	1.9
79.05472	25.2
79.05888	2.8
81.07045	45.6
83.01338	5.0
83.04969	25.2
83.08604	6.8
85.06527	21.1
91.05457	24.3
93.07042	27.2
95.04951	10.9
95.08601	21.3
97.06520	6.1
97.10165	2.4
99.04439	3.4
102.47938	1.8
105.07008	23.3
107.04939	5.9
107.08579	24.2
109.02898	3.2
109.06519	9.8
109.10146	29.2
111.04427	2.9
111.08084	5.1
117.07039	5.6
119.08593	11.7
121.06512	9.9
121.10127	8.1
123.04393	9.2
123.08030	7.1
123.11706	10.7
127.07561	3.2
131.08525	10.6
133.06483	5.3
133.10112	40.1
135.08047	8.6
135.11711	5.1
137.05960	3.0
137.09654	2.7
139.07497	3.5
141.05392	2.5
141.12770	3.1
143.08557	6.6
145.10077	8.6
147.04379	3.9
147.08044	7.9
147.11720	3.7
149.09660	5.1
151.03886	16.8
151.11176	22.2
153.05397	2.7
157.10118	3.9
159.11668	3.4
161.05928	2.5
161.09605	8.8
161.13225	2.6
165.05489	4.9
165.09174	3.8
166.21877	2.1
169.04942	100.0
169.12184	7.1
171.08073	3.6
171.11668	2.5
173.09613	3.4
175.03928	4.0
175.07500	7.3
175.11163	5.4
177.09070	2.2
179.03377	11.5
179.10722	3.8
181.08571	3.3
189.09076	6.1
189.12755	4.2
193.08681	3.7
199.07513	2.5
199.11162	2.7
205.08542	2.7
207.10172	20.6
215.12796	2.4
217.08594	12.8
225.11226	15.6
225.16272	2.4
231.13757	2.9
235.09627	29.8
241.10632	10.2
245.18971	8.5
249.14951	2.9
253.10634	19.4
255.17542	3.0
259.13144	2.4
263.16409	5.3
263.20023	10.0
273.14838	10.9
273.18494	22.2
291.15829	56.9
291.19522	44.0
309.07648	2.3
309.16925	30.9
309.20691	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	307.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15585	0.4
54.25792	0.4
56.05026	2.2
58.06590	4.0
61.01120	0.6
64.35323	0.4
70.06598	0.7
71.26663	0.9
71.27022	0.7
74.02469	0.5
84.04494	20.3
84.08131	100.0
85.02901	0.6
85.04842	0.4
85.08469	0.7
86.06050	7.3
86.09695	6.2
88.03959	1.3
93.41342	0.4
98.09612	0.5
110.09672	0.4
114.12775	0.5
123.04449	0.5
129.05467	0.7
130.08662	1.4
139.03871	0.6
141.13843	6.0
163.03876	0.8
169.13351	9.1
169.80780	0.4
198.11255	1.9
200.98537	0.4
207.82588	0.4
215.13890	36.3
216.14211	1.4
243.17018	53.0
244.17332	2.6
262.11063	4.4
307.01035	0.5
307.16821	26.6
308.17123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0752
Annotation	Pongapinnol C
Peak:m/z	Relative Intensity
53.03905	0.2
53.36813	0.2
55.05457	0.7
57.07005	0.7
67.05441	0.7
69.03367	0.3
69.07059	2.1
71.75941	0.2
71.80553	0.2
71.80943	0.2
79.05420	0.6
81.03376	0.2
81.07044	3.2
83.08540	0.5
85.06482	0.3
91.05430	0.5
93.06970	0.8
95.04887	0.3
95.08601	1.7
97.06470	0.4
97.74541	0.2
105.06977	0.4
107.04862	0.3
107.08575	1.1
109.10085	0.4
111.08015	0.3
111.11603	0.6
119.08473	0.3
121.02831	0.2
121.10112	0.4
123.11688	4.5
131.08504	0.3
132.82982	0.2
135.11623	0.4
137.02325	1.1
145.10040	0.3
153.12756	0.9
154.02524	0.8
171.46710	0.2
179.02127	0.2
185.55258	0.2
197.18077	0.2
203.16873	0.2
207.02876	0.2
207.07953	0.5
210.06732	0.3
212.04581	0.2
213.05376	0.3
221.05913	0.3
224.04642	0.3
225.05348	0.9
228.04108	0.2
229.01060	0.2
235.07581	0.4
237.05399	0.7
238.06212	1.3
239.06937	0.5
241.04887	2.5
244.03706	1.0
247.02304	2.1
247.20517	0.2
248.04680	0.2
249.05385	0.4
253.04924	0.7
253.08575	1.3
257.04410	0.4
263.07059	1.9
265.04883	3.0
266.05682	5.9
267.06284	1.1
268.03619	3.7
269.04437	0.4
273.18420	0.2
279.06561	0.7
281.04404	5.9
281.08020	6.2
282.04788	0.4
282.08414	0.4
291.06445	0.7
291.19543	0.9
293.04297	0.3
294.05167	29.2
295.05621	1.7
308.06741	0.5
309.07516	100.0
310.07840	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
54.58474	0.4
55.01860	0.6
55.05488	0.8
60.29150	0.4
62.55863	0.4
65.03918	0.4
67.05488	1.7
69.03413	0.9
69.07060	0.7
70.06577	1.2
71.04974	0.5
71.38390	0.7
77.03922	0.5
79.05472	1.2
80.05000	0.6
81.03407	0.7
81.07065	2.6
84.04494	2.2
85.02889	4.3
86.06047	0.5
87.04449	0.5
91.05448	2.0
93.07027	2.1
94.06477	0.4
95.04958	1.3
95.08595	1.1
96.08101	0.9
97.02906	0.5
97.06505	0.9
99.04436	1.2
102.05511	0.9
103.03921	1.2
105.07029	1.6
107.04932	0.9
107.08585	0.8
108.08100	12.0
109.06508	0.6
109.10133	0.9
110.09702	2.3
116.07011	0.4
117.07037	0.5
119.08596	1.0
122.06001	2.9
123.06781	1.2
124.07576	6.4
126.05581	0.5
126.09129	4.9
127.03896	1.8
130.04984	10.7
131.08580	0.5
133.10100	0.5
136.07558	52.5
137.07872	0.8
138.09119	49.4
139.09517	0.7
140.07048	1.9
145.04938	0.8
145.06522	0.5
145.10162	0.5
147.11667	0.6
149.05887	0.5
149.09598	0.6
150.05489	1.6
152.07051	16.2
154.70808	0.4
155.02275	0.7
157.02805	0.5
161.13261	0.6
163.07661	0.5
164.07040	100.0
165.07382	1.9
170.08096	4.8
175.11218	0.4
178.15884	4.3
182.08105	22.9
183.08411	0.8
191.08070	0.7
204.89413	0.4
220.09714	0.5
230.05008	0.5
233.05951	0.6
237.12381	2.0
239.13864	1.1
244.10442	0.9
261.05341	0.5
261.13083	1.4
289.15393	6.0
289.18222	0.3
290.13260	0.6
290.17599	0.7
292.04623	0.5
307.06006	20.7
307.13745	3.9
307.16550	3.0
307.19858	7.3
308.06418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.01838	1.3
57.03396	1.6
61.02891	1.4
67.05484	0.8
69.03419	5.3
69.07035	0.5
69.89341	2.5
71.01297	0.4
71.04974	2.5
73.02854	0.4
73.99081	0.4
77.03907	0.5
79.05464	1.2
81.03386	1.6
81.07038	1.8
84.08115	0.6
85.02863	1.1
85.26958	0.4
87.04440	0.4
91.05453	1.9
93.07002	1.5
95.04943	0.6
95.08566	0.7
96.08122	0.9
97.02845	0.8
99.04443	1.8
103.03925	0.4
105.07008	0.9
109.02847	0.6
115.05356	0.5
118.06506	1.1
119.08533	1.0
120.08030	0.5
121.10113	0.6
122.05985	1.3
123.06751	1.0
123.08088	0.5
124.07568	5.0
126.05484	0.4
126.09119	2.8
127.03922	0.8
132.08052	0.6
133.10109	0.5
136.07559	36.5
137.07893	0.9
138.09122	34.7
139.02780	0.5
139.09460	0.8
140.07024	1.2
145.06502	0.8
145.07562	5.5
145.10118	0.7
146.08316	0.7
147.09151	16.8
152.07043	10.8
153.01849	0.5
155.02280	0.6
159.09158	6.8
160.09915	1.2
161.10637	0.7
164.07048	64.8
165.07362	1.5
167.02280	0.5
170.08118	3.3
173.07123	0.5
173.10780	0.5
175.08635	0.8
182.08112	16.8
183.08409	0.6
184.09869	0.8
185.10773	2.4
186.11363	0.5
187.08607	0.9
187.12291	0.9
189.10234	0.7
191.08131	58.7
192.08528	2.3
197.10741	0.8
199.08588	0.7
199.12270	1.0
201.10187	0.4
203.05864	0.4
213.10207	1.2
215.11803	1.1
225.10162	0.5
227.11664	0.4
231.05479	0.7
231.11333	0.5
232.05440	0.4
232.07426	0.4
233.05975	0.7
245.09167	0.7
261.11227	1.7
263.13904	7.2
271.10754	0.5
289.11789	4.0
289.15417	3.7
307.06049	24.4
307.12848	100.0
308.06418	0.9
308.09851	0.6
308.13110	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01875	0.7
55.05501	0.5
57.07063	0.5
59.05000	2.1
64.91438	0.2
65.03935	0.3
67.05495	1.0
68.99790	0.3
69.03420	0.9
69.07058	3.4
71.04987	0.4
71.80797	0.4
79.05486	1.1
81.03407	0.8
81.07043	1.4
82.05468	0.2
83.01344	0.7
83.04968	0.8
87.04455	0.6
91.05457	1.6
93.07035	1.2
95.04948	0.9
95.08597	0.9
97.06508	0.3
99.04436	2.4
105.07021	4.2
107.08575	1.7
109.02850	1.3
109.06499	4.1
109.10149	0.6
111.04433	2.2
115.03979	0.3
117.06998	0.5
119.04906	0.5
119.08581	0.9
121.06483	0.4
121.10136	2.3
123.04406	0.5
123.08060	0.8
123.11711	0.5
125.05952	0.6
125.09586	0.5
126.94826	0.2
127.03894	2.1
128.06262	0.3
130.07797	0.3
131.08527	0.6
133.10085	0.9
135.08037	0.4
135.11624	0.4
137.05962	6.6
137.09595	0.3
138.06285	0.5
139.07527	0.4
141.05388	0.3
143.03375	0.5
143.10631	0.8
143.11726	0.2
145.10086	1.7
147.08026	0.3
147.11674	1.0
149.02306	0.4
149.05966	1.0
151.03879	0.5
151.07526	2.0
151.11102	0.2
153.05453	4.2
155.07130	0.3
157.04947	0.2
157.10037	0.5
159.08081	0.3
159.11678	0.4
160.35466	0.2
161.06052	0.2
163.07550	0.4
163.11148	0.3
165.05450	100.0
166.05782	2.4
167.03395	0.5
167.05936	0.4
167.08522	0.3
168.86736	0.2
169.04942	2.3
173.09637	0.9
175.07564	0.5
175.11180	0.3
177.05354	0.3
177.09166	0.3
179.03368	2.1
179.06996	0.8
180.21378	0.2
181.04938	0.2
183.06534	0.4
185.09515	0.3
185.13240	0.2
187.11147	0.3
189.09079	0.4
191.07022	1.2
191.10648	3.6
193.08612	2.2
197.04428	1.0
197.13226	0.4
201.09108	0.7
203.06995	0.5
203.10561	0.4
205.08582	0.6
205.12155	0.2
206.08080	0.4
209.08066	0.8
209.13354	0.2
219.10190	0.3
221.08218	19.0
221.11684	62.6
222.08385	0.6
222.12033	3.1
223.11316	0.3
233.08041	0.4
239.09102	4.0
239.11551	0.3
243.13782	2.1
245.15338	3.4
247.13321	0.3
261.14709	0.4
263.16397	1.7
271.13293	0.8
279.17297	0.3
289.14279	5.0
292.14209	0.3
307.15216	6.4
308.15839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01855	1.4
55.05500	4.0
57.07066	2.4
59.04998	0.6
65.03938	0.8
67.00449	0.6
67.01864	0.9
67.05494	10.4
69.03426	5.0
69.07056	5.5
70.08696	1.0
70.09110	2.4
70.57253	0.5
71.04982	5.9
72.04499	1.1
79.05477	5.8
81.03387	1.8
81.07043	8.8
82.07372	0.7
83.01332	11.0
83.04970	2.2
83.08588	1.5
85.06524	1.8
87.04479	0.7
91.05456	5.9
93.07034	10.8
95.04961	7.7
95.08595	10.0
97.02879	1.5
97.06514	2.3
99.04441	38.6
105.03384	2.5
105.07014	56.2
106.07331	1.2
107.04919	1.9
107.08572	14.0
109.06501	4.5
109.10152	7.9
111.04427	11.2
111.08035	2.0
111.09178	0.8
113.05995	5.6
115.03941	3.4
115.05411	1.2
117.06996	4.6
119.04846	0.7
119.08554	9.0
121.02939	0.8
121.06490	3.7
121.10130	16.3
122.10992	0.9
123.00798	0.9
123.04434	7.1
123.08055	2.8
123.11674	5.1
125.02322	2.9
125.05965	4.5
125.09641	0.7
128.06218	1.7
129.06979	2.4
130.07779	1.5
131.08577	4.6
133.06525	1.5
133.10104	5.7
135.04350	1.6
135.08040	2.0
135.11665	8.9
137.05984	3.7
138.06357	1.1
139.03873	2.2
139.07501	3.8
141.05452	2.5
142.07764	2.8
143.03365	2.8
143.08536	6.1
145.06454	2.2
145.10109	24.5
145.80284	0.6
147.08026	2.1
147.11662	10.8
149.02316	1.1
149.05949	8.5
149.09598	2.4
149.13202	1.0
149.81372	0.6
151.03888	1.3
151.07512	2.3
153.05426	6.1
153.09079	0.7
155.03436	0.6
155.08539	2.6
156.09399	1.3
157.05078	0.9
157.10095	11.7
159.08040	2.0
159.11668	5.6
161.09569	2.3
163.07542	1.5
163.11147	4.2
165.05472	4.4
165.06972	1.6
165.09146	1.5
166.05788	0.8
166.07751	0.6
167.03354	5.7
167.07025	2.3
167.08554	1.9
169.04942	19.9
169.08690	1.0
169.10100	2.1
170.10898	0.8
171.08020	2.1
171.11658	2.9
172.08856	0.8
173.09590	12.7
173.13271	1.1
175.07538	1.9
175.11153	5.6
177.05464	2.3
177.09093	3.0
177.12726	1.9
179.03381	1.5
179.07100	1.1
179.08542	5.1
180.09277	1.7
181.04951	1.9
181.08597	1.5
181.10123	2.2
182.10927	2.0
183.08051	1.1
183.11644	1.7
185.04480	3.8
185.09598	3.9
185.13229	3.3
187.07559	1.2
187.11185	1.9
187.14894	1.1
188.08321	0.8
189.09105	6.2
190.09814	0.9
191.07019	4.6
191.10641	55.4
192.09274	1.0
192.10995	2.3
193.10051	2.0
194.10857	3.9
195.06458	1.5
195.07982	1.5
195.11610	2.5
197.09625	0.9
197.13216	4.9
199.14735	3.6
201.09055	5.6
201.12680	1.7
203.08638	1.2
203.10657	5.0
204.09283	1.2
205.08601	2.2
205.12198	1.6
206.10887	1.1
207.06335	0.8
207.08098	1.0
207.11650	1.2
208.08861	0.8
208.12462	1.0
209.09807	1.1
209.13225	9.8
210.10324	0.7
211.11176	0.8
212.11949	1.4
215.10681	1.1
215.14297	2.6
217.15805	2.0
219.10002	1.6
219.11996	3.0
219.13678	1.3
221.07935	1.3
221.11592	1.9
221.13298	2.4
222.10300	4.4
223.09370	1.4
223.11194	2.9
223.14841	1.0
224.11896	0.8
225.12576	3.2
227.14243	1.9
229.12257	2.3
231.11761	1.6
232.12375	0.7
233.08043	1.1
235.11179	1.1
235.14798	0.9
236.11913	0.9
237.09195	0.9
237.12823	13.5
238.13290	1.1
243.13768	24.9
244.14241	0.9
245.15338	73.7
246.13547	1.1
246.16000	4.2
247.13222	1.3
247.22534	1.1
249.12733	4.9
250.09938	1.1
251.10762	0.9
251.14580	1.5
251.17923	16.6
252.18327	0.9
253.12234	2.3
253.83330	0.7
259.11243	1.0
261.14871	2.7
262.09830	1.1
263.10660	1.3
263.14093	0.8
263.16458	8.1
264.14880	3.3
265.12195	17.8
265.15131	0.8
265.22696	1.3
266.12878	2.1
271.13208	7.8
271.16107	0.8
274.13303	1.0
277.12177	9.3
278.12845	1.0
279.17404	9.7
286.61798	1.0
289.14218	28.5
289.21240	1.2
290.14615	1.1
291.13708	6.9
292.14511	11.7
307.17105	100.0
308.16919	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	307.1534
Annotation	trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid
Peak:m/z	Relative Intensity
53.00290	0.6
53.03939	0.6
53.70356	0.2
55.01858	2.7
55.05497	2.7
57.03417	0.7
57.07064	10.7
58.46599	0.3
59.04990	0.8
62.42823	0.3
65.03905	0.8
67.05492	6.5
68.99767	1.1
69.03415	4.7
69.07048	1.9
71.04977	17.3
71.80370	0.5
78.91567	0.3
79.05475	3.6
81.03381	0.5
81.07039	2.9
83.01325	7.0
83.04957	1.7
83.08585	0.8
85.02914	0.3
85.06525	24.5
86.06834	0.4
91.05456	6.7
93.03390	0.4
93.07026	7.5
94.07330	0.3
95.01285	0.3
95.04944	5.6
95.08600	2.5
97.02847	0.7
97.06498	1.9
99.04423	1.2
101.73951	0.3
103.05431	0.7
105.03364	0.8
105.07003	7.9
107.04929	3.6
107.08572	6.3
109.06500	7.8
109.10135	3.5
111.04442	1.5
111.08057	11.2
113.05981	8.0
113.09590	0.5
115.05425	1.1
116.06200	0.7
117.06997	2.3
119.04926	1.0
119.08549	2.5
121.02846	0.4
121.06486	10.3
121.10123	7.3
122.06826	0.3
122.10899	0.5
123.04408	5.9
123.08043	3.8
123.11668	1.2
125.02354	0.8
125.05968	1.1
128.06189	0.7
129.06982	1.5
130.07755	0.8
131.08546	6.7
132.68756	0.3
133.06453	3.3
133.10110	2.5
134.07262	0.6
134.61322	0.3
135.04402	1.4
135.08025	11.4
135.11673	0.7
137.02325	0.3
137.05930	1.1
137.09563	0.6
139.03851	1.1
139.07527	5.3
141.05434	4.2
141.07002	0.7
141.09052	1.7
142.07770	1.5
143.03346	0.7
143.08614	1.4
144.05702	0.6
145.06444	1.5
145.10095	4.1
147.04408	0.8
147.08018	1.5
147.11670	0.5
149.02319	0.4
149.05954	6.1
149.09590	21.3
150.09933	0.5
151.07503	1.1
151.11171	2.6
153.05441	15.5
154.05766	0.4
155.07091	0.7
155.08533	1.9
156.09373	0.4
157.04996	0.5
157.06465	0.5
157.10092	1.7
158.07225	0.8
159.08029	9.7
159.11642	0.9
160.08693	0.5
161.05959	1.5
161.09569	1.3
162.06737	7.0
163.07516	10.7
163.11182	1.3
164.07803	0.6
165.05467	3.0
165.09090	0.4
165.12720	1.1
167.03374	0.9
167.07036	4.2
167.08438	0.4
167.10646	1.6
168.09274	0.4
169.04932	1.6
169.10112	0.4
171.07982	1.0
171.11696	0.4
172.08820	1.0
173.05977	0.4
173.09592	7.0
173.13173	0.7
174.10081	0.3
175.03915	0.3
175.07501	2.8
175.11169	1.1
176.08260	0.5
177.05460	10.2
177.09073	29.0
178.09401	1.0
179.07082	0.4
181.04935	0.5
181.08574	1.4
182.10959	0.4
183.08040	0.7
183.11681	0.7
185.04427	1.0
185.08139	0.4
185.09639	0.8
185.13275	0.4
186.06644	0.3
186.10329	0.6
187.07506	6.0
187.11147	1.2
187.14810	0.4
188.08188	0.4
189.05540	0.5
189.09015	1.5
190.06219	0.8
191.06990	0.3
191.10643	9.2
192.09268	0.5
192.10916	0.3
193.08539	0.5
195.06522	2.3
195.08092	0.5
195.10109	2.3
196.08829	0.6
197.08076	0.5
197.09717	0.4
197.13225	0.8
199.07521	1.3
199.11171	0.7
200.08269	0.5
200.11955	0.6
201.09067	10.9
201.12642	2.8
202.09462	0.6
203.07013	5.9
203.10667	1.0
203.14236	0.6
204.07446	0.6
205.08557	71.1
206.08910	3.3
207.10022	0.5
209.09714	0.4
209.11671	6.7
209.13535	0.5
210.10336	1.1
210.12093	0.3
211.11148	1.2
213.09065	1.3
213.10876	0.3
214.09836	1.0
215.10674	0.4
215.14230	2.5
217.08566	1.2
219.10129	44.5
220.10513	1.7
221.07941	1.4
223.09607	76.1
224.09924	3.8
225.12682	1.5
227.10564	0.5
228.11319	1.3
229.08626	4.0
229.12154	7.3
231.10262	0.4
233.11665	0.4
233.15399	0.8
235.09541	2.9
237.11169	53.2
238.11584	2.2
241.08733	0.5
243.09962	0.4
243.13763	8.3
244.14148	0.3
245.15387	1.6
247.09489	1.3
247.13243	5.3
253.12157	1.7
256.10910	0.6
261.14767	2.6
263.16370	1.0
265.14349	0.3
271.13232	16.6
272.13507	0.7
274.12115	0.3
289.14279	88.4
290.14630	4.5
307.15326	100.0
308.12421	0.5
308.15674	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	307.1283
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01862	1.3
57.03390	0.5
59.71007	0.4
67.05486	0.5
69.03410	0.7
69.07063	0.5
71.37525	1.1
79.05478	1.0
81.03379	0.5
81.07009	0.4
84.04496	0.6
85.02885	1.1
91.05447	0.9
93.07006	0.7
95.04987	0.7
97.02855	0.8
98.06041	0.5
103.03949	0.6
105.07032	0.9
107.08566	1.3
109.02926	0.4
109.06535	0.7
109.10164	0.6
113.28825	0.4
118.06499	0.5
119.08532	0.5
119.72465	0.4
121.06491	0.4
122.06026	2.3
123.04396	0.9
123.08019	0.4
124.07584	0.6
127.03883	0.9
127.11167	0.8
130.04977	0.5
133.10028	0.5
135.08012	1.3
136.07544	0.7
140.07039	2.1
146.06007	0.5
146.09598	0.4
147.04367	1.1
148.07582	0.6
156.08112	0.5
160.07553	1.1
163.08672	1.1
168.06538	1.7
174.09120	2.3
177.10193	1.3
178.08591	11.0
184.07568	1.4
186.09183	0.7
187.08626	1.1
187.36792	0.4
188.07024	2.7
191.08185	0.7
196.09737	0.6
198.09094	1.6
200.10776	0.5
201.06535	0.8
201.10236	2.7
202.08612	4.5
205.09750	3.0
206.08156	2.1
206.09857	0.5
212.07051	0.6
215.08153	0.5
216.10211	2.1
219.07695	0.8
219.11266	4.0
220.09631	2.0
225.10245	0.6
226.08624	2.1
226.99947	0.4
229.09743	4.1
230.08058	3.4
243.11223	1.5
244.09702	3.8
247.10748	11.6
248.09131	0.9
254.08061	0.5
261.12506	1.2
262.10764	1.6
265.11813	13.3
265.14648	0.8
271.10703	1.3
272.09079	1.3
289.11780	14.7
307.12833	100.0
308.13147	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	307.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01871	0.4
55.05511	0.9
57.07065	1.7
65.03912	0.7
67.05489	2.1
68.99789	0.8
69.03436	0.6
69.07054	0.9
69.93524	0.4
71.04978	1.5
71.81252	0.5
74.93597	0.4
78.61261	0.3
79.05473	1.5
81.03397	0.5
81.07042	2.5
83.01342	0.4
83.04955	1.0
85.06519	0.6
91.05466	1.6
93.03385	0.5
93.07013	1.7
94.04144	0.5
95.04977	2.4
95.08583	1.5
96.23571	0.3
97.02892	1.9
97.06510	0.8
97.10194	0.5
98.89396	0.4
99.04421	0.4
105.07021	2.2
107.04967	0.5
107.08533	1.7
109.02868	3.7
109.06480	0.8
109.10147	1.1
110.03634	0.8
111.04430	18.4
111.08076	0.8
112.05183	1.3
113.13124	0.4
117.06982	0.9
119.08550	1.2
121.02864	0.9
121.06485	1.0
121.10158	2.0
122.10887	0.4
123.04394	1.4
123.08090	0.4
123.11681	1.0
124.05207	1.0
125.02335	5.6
125.05956	3.3
127.03911	0.5
127.07467	0.5
131.08557	1.3
133.10098	1.1
135.08028	0.8
135.11603	1.0
137.05945	0.5
139.03885	26.2
140.04671	12.4
141.05507	2.9
143.03360	0.8
145.10117	0.7
147.08028	0.4
147.11664	0.5
149.02255	0.4
149.09619	0.6
153.05452	10.1
155.07011	100.0
156.07339	2.1
157.10104	0.4
159.11630	0.6
163.11189	0.7
167.03340	0.8
168.07808	9.4
169.04947	9.4
169.08557	0.9
173.09526	0.6
183.06526	4.8
184.07289	6.3
185.04463	0.5
191.07013	1.6
200.04581	0.5
210.55688	0.4
219.10019	0.5
223.09642	0.8
228.04048	0.6
229.04912	1.0
230.08162	1.8
233.08047	0.8
233.15331	0.6
237.11301	0.4
243.06580	0.8
244.07294	1.5
247.09749	0.7
248.09164	1.5
251.09174	1.8
260.06836	0.7
271.13171	0.6
275.09140	2.4
275.20013	1.1
289.14331	3.0
289.17661	0.7
290.10226	1.9
307.11758	3.0
307.15784	2.0
307.19666	0.4
307.22684	0.7
308.11465	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01858	0.5
55.05499	0.8
57.07065	0.7
65.03928	0.4
67.05493	1.4
68.99773	0.5
69.03414	1.4
69.07053	1.0
69.86981	2.3
71.04984	0.5
79.05460	0.9
81.03419	0.5
81.07043	3.2
83.04958	0.6
83.08595	0.3
83.39332	0.3
84.08112	0.4
85.02895	1.4
85.06544	0.4
91.05470	0.8
93.07024	1.2
95.04942	1.7
95.08595	2.3
97.02329	0.3
97.02871	2.0
97.06521	0.9
98.03612	0.4
99.04437	1.0
103.03936	1.4
105.07013	1.4
107.08556	1.1
109.02866	4.8
109.06506	0.6
109.10141	1.0
109.21606	0.3
110.03672	0.7
111.04432	17.3
111.08071	0.3
112.05217	1.4
118.13299	0.4
119.08558	1.2
121.10133	1.5
123.04411	1.1
123.08036	0.5
123.11698	1.0
124.05166	0.8
125.02333	6.4
125.05960	3.0
127.03924	1.9
127.07536	0.4
131.08562	0.9
133.10100	1.1
135.04343	0.5
135.08049	0.4
135.11673	0.7
137.05934	0.4
137.09590	0.3
139.03879	24.6
140.04665	13.5
140.05780	0.5
141.05466	3.0
145.04921	0.4
145.10164	0.4
147.07990	0.4
147.11655	0.8
151.07516	0.6
153.01851	1.6
153.05438	7.7
155.07007	100.0
156.07307	1.6
159.08078	0.3
159.11702	0.5
161.13268	0.5
163.03882	1.0
163.11168	0.7
168.07803	7.4
169.04945	9.3
169.08473	0.6
173.09619	0.4
173.42760	0.3
179.08246	0.3
183.06523	3.7
184.07280	6.4
191.03375	1.7
197.19150	0.4
199.02304	1.3
209.04338	0.4
215.03331	0.7
219.02847	1.0
233.04538	0.5
243.02780	0.8
243.06525	0.8
244.07339	0.8
247.02342	0.8
260.06702	0.4
261.03906	1.0
262.34073	0.3
271.17078	0.5
275.01831	0.7
275.09106	1.3
276.02554	0.8
289.03406	2.0
289.14304	0.9
289.17892	1.4
307.04492	1.5
307.12137	4.6
307.15784	0.6
307.16452	0.6
307.19711	0.4
307.26370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98442	0.2
54.67195	0.2
55.42304	0.2
56.00341	0.2
57.40451	0.2
58.02964	0.2
60.57171	0.2
67.05477	0.3
69.07069	1.3
70.97440	0.4
70.97819	0.5
79.05468	0.5
81.07032	0.8
81.38268	0.3
82.61971	0.2
91.05451	0.5
93.06993	0.4
94.04177	1.6
95.08595	0.3
97.06539	0.4
100.07588	0.3
105.06930	0.2
105.24710	0.2
107.04939	0.2
107.08575	0.7
109.10117	0.7
114.09170	0.5
120.37821	0.2
122.03629	5.5
126.09126	0.4
127.65824	0.2
133.10109	1.0
135.11661	1.3
137.05957	100.0
138.06319	1.1
151.11183	0.3
153.12733	0.9
170.15367	1.7
182.15407	2.9
184.96870	0.2
257.55600	0.2
273.11731	0.2
304.67413	0.2
306.20596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64235	1.6
62.88538	1.6
70.37086	5.0
70.37514	4.0
72.69685	2.0
82.55297	1.7
85.02815	1.9
85.30267	1.9
119.01873	2.0
265.07666	2.7
307.07635	100.0
308.08228	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	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.7
55.01863	2.2
57.03426	4.7
61.02908	2.5
67.05483	1.2
69.03421	27.8
69.07055	1.6
70.89191	1.1
70.89541	3.4
71.04985	6.6
73.02905	5.4
81.03401	28.8
81.07040	3.1
82.03745	1.2
84.91105	1.1
85.02895	76.0
87.04427	1.5
88.07574	1.1
89.11968	1.0
93.07033	1.4
94.58477	0.9
95.08596	2.2
97.02878	20.2
99.03787	2.0
99.04443	43.0
103.03929	72.7
105.07021	1.1
107.08641	1.3
109.02870	23.7
109.10159	1.4
111.04430	1.1
121.10111	1.4
123.11727	1.5
127.03902	100.0
128.04274	1.7
133.10175	1.5
135.11667	1.4
145.04944	29.2
147.11775	1.1
163.05998	6.2
187.05995	18.9
205.07031	11.6
245.22989	2.5
253.07072	1.2
261.17850	1.3
271.08087	3.0
306.26385	1.3
307.05960	2.1
307.26627	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01874	0.6
55.05515	1.5
57.03445	0.7
57.07058	0.5
65.03931	2.0
67.01537	0.4
67.01867	1.7
67.05486	2.5
68.99779	0.4
69.03430	1.1
69.07059	2.3
70.78835	1.3
71.04998	1.4
79.05476	2.8
81.03412	0.5
81.07047	3.3
83.01321	4.7
83.04971	0.4
85.02901	0.7
85.06553	0.6
85.45186	0.4
89.87653	0.3
91.05463	4.1
93.03424	1.0
93.07036	5.3
94.04221	0.3
95.04955	9.6
95.08596	4.5
97.02921	0.9
97.06527	1.0
98.21395	0.5
101.10706	0.4
105.07011	6.3
107.05006	0.7
107.08566	7.3
108.08924	0.4
109.00192	0.3
109.02864	2.4
109.06513	1.6
109.10145	1.7
110.03645	2.9
111.04427	19.0
112.05206	0.5
117.07027	1.0
119.08556	2.6
121.02878	0.7
121.06516	1.2
121.09249	0.8
121.10124	17.1
123.04410	31.7
123.08055	0.8
123.11723	0.6
124.05208	5.1
125.02355	1.3
125.05972	16.0
129.07025	0.5
131.08569	1.0
133.10115	6.4
135.08020	0.5
135.11729	0.7
137.05951	0.8
137.09596	0.4
138.06731	0.9
139.03879	38.9
140.04730	3.5
141.05431	9.8
142.07765	0.5
145.06436	0.5
145.10123	2.7
147.08038	0.5
147.11674	2.4
149.05981	0.8
149.09576	0.6
151.03902	2.0
151.07524	0.5
151.11183	1.3
152.04645	0.4
153.05438	45.6
154.06042	1.2
155.07005	25.9
156.07381	0.4
157.10046	0.6
159.08066	0.8
159.11679	0.9
163.03874	0.6
163.07465	0.5
163.11157	1.1
165.05417	0.4
167.07021	1.3
168.07797	52.8
169.04935	100.0
169.08334	2.4
170.05305	0.9
173.09566	5.2
173.10847	0.3
175.11145	4.0
177.05446	1.3
179.06992	0.6
181.04999	0.4
183.06516	2.0
183.11601	0.7
184.07286	14.4
187.11090	0.7
187.14874	0.4
191.07033	0.9
191.10565	0.4
193.04912	1.0
195.06453	1.1
197.08087	0.6
197.13217	1.6
199.11078	0.5
201.09036	0.5
205.08530	0.9
207.06560	0.5
209.08018	0.8
215.14227	0.5
217.08557	0.6
219.10063	0.6
225.08992	0.5
225.12721	1.2
227.03732	0.4
229.08582	1.8
229.12106	0.5
231.06541	0.4
232.06813	0.6
233.08051	1.9
233.15532	0.5
237.11151	5.9
239.09033	1.3
239.17896	0.5
243.09988	0.7
243.13768	1.3
244.07242	0.5
247.09592	5.8
253.12192	1.1
261.11157	0.8
261.14734	0.9
271.13208	5.2
275.19968	1.6
289.14307	22.6
289.17374	0.9
290.14545	0.9
292.09253	0.8
307.11642	9.9
307.15244	49.5
307.22458	3.4
308.15549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1694
Annotation	Convolamine
Peak:m/z	Relative Intensity
56.96105	0.6
57.03424	1.9
67.05474	0.4
69.03417	0.5
70.90044	0.4
70.90417	1.1
71.01337	0.9
75.13183	0.3
85.02888	39.8
86.03193	0.5
91.05441	0.4
95.08583	0.4
97.02887	0.5
98.07013	0.3
103.03922	1.2
105.06998	0.5
107.59578	0.3
111.73937	0.4
113.02347	1.0
118.06515	12.6
120.08017	0.5
127.03902	1.0
131.03389	1.7
132.08057	4.9
133.08864	2.4
134.09642	0.7
137.05989	0.4
146.09625	5.0
147.10378	0.4
160.11162	0.4
176.14314	82.9
177.14685	2.5
185.11734	0.3
202.15900	0.9
211.15250	0.4
216.13799	0.8
242.48367	0.4
246.14970	0.4
288.15964	0.8
306.05722	1.4
306.16940	100.0
307.09488	0.7
307.17261	6.5
311.89825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01858	1.2
55.05504	2.5
55.93503	0.3
56.05017	0.3
57.03434	1.4
57.07070	1.7
58.06595	0.2
58.99590	0.2
61.02914	1.7
65.03928	1.1
65.51711	0.2
67.05508	0.3
68.05020	1.2
69.03416	4.7
69.07051	0.4
71.01324	0.7
71.04977	0.6
71.80197	0.4
72.08139	0.5
72.93797	0.5
73.02911	1.3
74.00671	0.3
76.04002	0.4
81.03417	1.7
81.07030	1.1
83.04955	0.3
83.08614	3.4
84.04499	2.2
84.08131	7.8
84.08891	0.3
85.01150	1.2
85.02893	14.5
85.06514	1.8
85.08448	0.5
85.73965	0.2
86.03206	0.4
86.06075	0.4
86.09706	0.4
87.04450	1.0
88.03978	0.9
91.03947	0.5
91.95644	0.2
97.02876	3.2
97.06493	0.3
98.00602	1.1
98.09678	0.8
99.02668	2.1
99.04436	1.0
101.02390	0.3
102.09184	0.3
102.47150	0.2
103.03938	0.5
109.02844	1.8
109.06514	1.1
109.10169	0.2
113.02942	1.5
115.03905	0.3
115.07544	0.5
123.04386	0.8
125.06013	0.2
126.03729	13.9
126.09144	5.4
127.03794	2.8
127.07528	1.0
130.04988	0.8
130.06537	0.6
131.04486	0.3
132.08081	0.9
135.04350	0.3
137.02290	0.4
137.05949	1.4
139.03891	0.5
141.05511	0.3
144.04771	52.8
144.10178	100.0
145.05048	2.8
145.08620	0.5
145.10533	2.9
147.04414	0.4
149.96120	0.4
150.96944	0.3
153.01802	0.3
159.09148	2.0
163.03848	1.2
173.67731	0.2
177.03270	1.3
186.05814	1.9
214.12605	0.4
215.13858	1.1
241.15468	0.3
242.15758	0.6
243.17035	1.9
260.06244	0.3
289.11853	0.6
306.10028	9.4
306.15472	1.1
306.20724	0.5
307.10251	0.7
307.16730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94830	0.7
53.83077	0.6
55.01851	1.5
67.05473	2.2
68.99785	1.4
69.03387	0.9
70.77746	2.5
70.78123	1.5
73.64816	0.8
83.01321	1.0
91.05514	0.8
94.35843	0.7
95.04971	5.4
105.58679	0.8
107.04929	1.6
111.00800	1.0
111.04424	0.9
117.03365	1.5
119.04881	0.8
123.04415	100.0
124.04772	1.3
131.04939	1.0
135.04393	3.9
137.05949	1.5
139.03883	25.2
145.02835	1.4
151.03871	9.5
155.03395	2.5
159.04382	2.9
163.03879	16.2
164.04364	1.0
169.06374	1.0
185.05937	0.9
187.03854	3.9
197.05963	2.0
205.04976	1.9
215.07303	0.8
219.07547	1.6
225.05684	1.3
229.04942	0.8
243.06519	1.0
243.30804	0.8
261.12143	0.9
271.06012	2.9
289.07019	29.6
289.11694	4.5
290.07458	1.6
306.05765	1.6
307.12842	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	306.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01847	0.4
55.05523	0.3
57.03429	1.4
58.99577	0.3
61.02917	2.5
65.03931	1.9
68.05023	2.3
68.41623	0.2
69.03062	0.4
69.03421	5.4
70.26746	0.5
70.27155	1.0
71.01331	0.4
71.04958	0.5
73.02907	1.4
81.03403	1.4
84.04480	0.6
84.08144	1.9
85.01134	2.2
85.02892	13.5
87.04462	1.5
91.03934	0.3
95.04951	0.3
97.02895	3.5
98.00616	2.0
98.20799	0.3
99.02660	3.2
99.04443	0.6
103.03922	1.1
109.02903	1.5
109.06515	0.3
113.02932	2.0
113.05983	0.3
116.01630	0.3
126.03723	25.9
126.09106	0.4
127.03871	2.5
127.04534	2.3
130.04982	0.6
137.05939	0.6
144.04761	100.0
144.10121	1.6
145.05028	3.5
150.96831	0.3
159.09082	0.3
172.04184	0.3
177.03333	0.6
186.05818	2.6
215.13889	0.8
238.07269	0.3
242.27168	0.3
243.16969	0.9
257.81158	0.3
266.93246	0.3
288.08905	0.3
306.10016	19.4
307.10443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32775	0.1
53.03934	0.3
55.01637	0.1
55.01871	0.5
57.03428	0.1
57.07069	8.6
61.54796	0.1
67.05496	0.1
68.17846	0.1
69.07069	0.9
70.82898	0.3
70.83244	0.2
79.05474	0.5
81.03408	0.5
81.07049	1.5
83.01331	0.3
85.06538	0.7
91.05458	0.8
95.04947	0.2
95.08552	0.2
109.02872	1.7
109.06500	3.3
109.10165	0.2
112.27313	0.1
119.04896	0.3
123.11684	2.9
124.12041	0.1
127.03886	1.6
135.11653	0.3
137.05962	5.2
141.12668	0.7
147.04408	0.2
153.05446	1.7
165.05453	100.0
166.05779	3.0
167.07028	0.2
177.09146	0.2
179.07018	0.4
219.10097	1.2
221.11699	66.3
222.12012	3.2
231.10092	0.2
237.11183	1.6
249.11339	0.2
269.15500	0.2
287.16385	4.4
288.16760	0.3
305.17429	3.9
306.17767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.3
55.01866	0.3
57.06794	0.2
57.07067	4.0
57.07347	0.1
59.12719	0.1
65.03921	0.2
67.05501	0.2
69.07055	0.8
71.82277	0.1
78.18026	0.1
79.05482	0.5
81.03400	0.7
81.07043	1.6
83.01330	0.4
83.04980	0.1
85.06527	1.6
91.05450	0.8
93.07032	0.2
95.04965	0.2
95.08567	0.2
98.99945	0.1
105.06992	0.2
107.08575	0.3
109.02866	2.1
109.06499	3.6
109.10145	0.3
110.06859	0.1
119.04918	0.5
121.10138	0.1
123.11687	3.0
127.03900	1.7
135.11662	0.5
137.05954	5.7
141.12761	0.9
147.04390	0.2
153.05438	2.1
163.07550	0.2
165.05450	100.0
166.05774	2.1
167.06958	0.3
177.05402	0.3
177.09053	0.2
179.07033	0.5
183.06529	0.2
190.64993	0.1
191.07031	0.1
205.08540	0.1
217.08423	0.1
219.10114	1.2
221.11694	51.4
222.12027	1.8
231.10088	0.2
237.11172	2.2
238.11786	0.2
249.11124	0.2
287.16376	5.0
288.16766	0.3
305.17419	9.2
306.17807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1743
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
53.03934	0.3
55.01855	1.0
55.05506	2.3
57.03424	0.3
57.07072	1.2
65.03944	0.4
66.92323	0.1
67.05499	2.3
69.03420	9.3
69.07063	1.8
71.04984	2.4
77.03919	0.2
79.05479	1.9
81.03397	0.8
81.07045	3.6
83.01318	2.9
83.04973	0.7
83.08601	0.5
88.26659	0.2
91.05463	2.4
93.03414	0.2
93.07033	5.2
95.04964	2.1
95.08595	2.2
97.06500	0.5
99.08059	0.4
105.07015	2.0
107.04936	0.6
107.08582	3.4
107.96703	0.1
109.02851	1.5
109.06503	3.9
109.10149	2.5
111.04420	0.6
111.08058	0.6
111.11599	0.1
117.06992	0.2
119.04932	0.5
119.08572	1.0
121.06476	1.3
121.10111	0.6
123.04413	1.3
123.08043	2.4
123.11690	4.7
125.05987	1.6
127.03896	2.7
127.11182	0.2
128.06221	0.1
129.06970	0.4
131.08513	0.4
133.06474	0.7
133.10097	1.3
135.08018	1.3
135.11664	2.9
137.05966	6.0
139.03885	1.9
139.07458	0.2
141.05444	4.6
142.07741	0.4
143.08559	0.3
144.27217	0.1
145.10120	0.4
147.04376	0.3
147.08023	0.8
147.11656	0.5
149.05992	0.5
149.13232	0.2
151.04025	0.1
151.07527	3.6
151.11150	0.9
152.84276	0.1
153.05447	37.2
153.12730	2.8
154.05740	0.8
155.07037	0.2
156.09267	0.2
157.10091	0.9
159.08043	0.3
161.05959	1.1
161.09612	0.6
162.06738	0.1
163.07561	0.9
163.11076	0.2
164.04605	0.2
165.05457	66.9
166.05785	1.8
167.07013	1.3
167.08388	0.2
171.11742	0.2
173.09616	0.4
174.06720	0.2
175.07544	1.3
175.11165	0.7
176.08316	0.2
177.05447	1.7
177.09032	1.0
179.07008	75.9
180.07367	2.2
181.08562	1.0
183.06564	0.3
185.09595	0.7
187.07516	0.2
188.08264	0.4
189.05392	1.0
189.09064	1.1
189.12668	0.2
190.06224	0.6
191.07014	1.7
191.10721	0.3
193.08575	1.6
199.11118	0.3
201.09064	0.5
203.07018	5.3
203.10675	1.5
203.14322	0.2
204.07758	0.8
205.08574	7.4
206.09029	0.3
207.06480	0.5
207.10141	3.7
208.06927	0.2
213.09065	0.6
215.10681	0.4
216.07759	0.3
217.08565	1.6
217.12097	1.3
218.09175	0.3
219.10124	4.5
221.08421	0.8
221.11697	8.6
222.12117	0.3
224.74316	0.2
227.10620	0.4
229.08571	0.2
229.44327	0.2
230.09097	0.2
231.10135	19.4
232.10477	1.0
233.11615	0.3
235.13272	2.4
237.11304	0.7
241.15726	0.2
245.11650	2.3
249.11176	0.2
269.15283	0.4
287.16379	100.0
288.16733	5.7
302.18906	0.1
305.17429	57.6
306.17786	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	305.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01868	0.5
56.49785	0.2
57.07067	9.0
69.07064	1.0
69.70053	1.4
71.35998	0.2
79.05479	0.6
81.03399	0.7
81.07056	1.1
83.01343	0.5
85.06520	0.7
90.96219	0.2
91.05448	0.5
93.07024	0.2
95.04955	0.2
95.08583	0.2
96.14320	0.2
107.08638	0.2
109.02859	1.8
109.06493	2.9
112.83759	0.2
113.29842	0.2
119.04931	0.6
123.11693	3.1
127.03908	1.7
135.11642	0.4
137.05960	5.2
138.06302	0.2
141.12718	0.5
147.04459	0.3
153.05469	1.1
162.28813	0.2
163.07576	0.4
165.05449	100.0
166.05788	2.8
167.06909	0.2
179.07100	0.4
183.06523	0.3
207.80620	0.2
214.87285	0.2
219.10133	1.1
219.12013	0.2
221.11696	72.4
222.12042	1.9
231.10106	0.2
237.11137	2.0
241.15955	0.2
249.11392	0.2
249.66080	0.2
287.16370	4.6
305.17416	10.1
306.17728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1742
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
50.56335	0.1
53.03931	0.3
55.01868	0.5
55.05501	0.3
57.07063	0.3
60.90641	0.1
65.03920	0.2
67.05483	0.5
67.86442	0.1
69.03419	0.2
69.07045	0.2
70.25799	0.2
70.26123	0.5
79.05476	1.1
81.03410	1.0
81.07043	3.8
83.01328	0.5
91.05465	1.3
93.07015	0.5
94.43121	0.1
95.04939	0.4
95.08573	0.8
98.20814	0.1
98.90670	0.1
105.06998	0.5
107.08577	0.8
109.02859	1.9
109.06499	5.0
109.10132	0.7
114.79891	0.1
119.04904	0.5
119.08569	0.2
121.10119	0.3
123.11686	12.7
124.12027	0.4
125.05962	0.2
127.03893	2.1
133.10089	0.2
135.11671	1.6
135.25177	0.1
137.05957	6.8
138.06361	0.1
139.03859	0.4
147.04395	0.2
147.11664	0.3
149.05910	0.1
151.07529	0.4
153.05438	2.1
157.10088	0.1
163.07550	0.5
165.05449	100.0
166.05774	2.4
167.06996	0.8
179.07019	0.9
183.06528	0.2
191.07091	0.1
193.08597	0.2
203.06992	0.2
205.08490	0.2
207.10249	0.2
217.08583	0.1
227.10712	0.1
231.10118	0.4
245.11723	0.1
269.15344	0.8
287.16376	23.5
288.16699	1.1
305.17419	25.4
306.17850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.24412	0.1
55.01841	0.5
55.05502	0.1
56.29052	0.1
57.03416	0.2
57.07068	6.1
65.03935	0.1
67.05484	0.4
69.03420	0.2
69.07056	0.7
79.05466	0.5
81.03406	0.7
81.07040	2.0
83.01336	0.4
85.06522	0.5
91.05463	0.9
93.07042	0.4
95.04942	0.3
95.08590	0.4
99.38625	0.1
104.69012	0.1
105.07009	0.1
107.04967	0.1
107.08584	0.4
109.02864	2.1
109.06503	3.7
109.10143	0.3
119.04909	0.5
121.10148	0.1
123.08117	0.1
123.11686	5.9
124.12025	0.2
125.05959	0.1
127.03899	1.5
133.10104	0.1
135.11676	1.4
137.05959	6.0
138.06335	0.2
139.03891	0.2
141.12755	0.4
147.04422	0.2
147.11705	0.1
153.05449	3.0
163.07552	0.2
163.30096	0.1
165.05453	100.0
166.05786	3.1
167.06990	0.4
177.05406	0.1
177.09048	0.2
179.07018	0.6
183.06572	0.1
191.07018	0.2
203.10672	0.1
205.08501	0.2
219.10127	0.8
221.11696	46.1
222.12019	2.1
231.10081	0.2
237.11163	1.2
269.15375	0.3
287.16376	13.0
288.16684	0.7
305.17432	9.7
306.17725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01865	0.4
57.06790	0.4
57.07066	7.2
65.03934	0.3
67.05482	0.5
69.03432	0.3
69.07054	0.5
69.72789	1.7
77.03899	0.2
79.05468	0.9
81.03418	0.3
81.07026	1.6
83.01313	0.5
85.06519	0.6
91.05460	0.9
93.07011	0.6
95.08606	0.4
95.24684	0.2
105.06989	0.3
107.08583	0.3
109.02856	1.8
109.06497	3.5
109.10150	0.4
114.46988	0.2
119.04939	0.5
121.10159	0.3
123.11686	4.8
123.12523	0.4
125.09624	0.4
127.03905	1.8
135.11696	0.6
137.05960	5.3
141.12596	0.3
153.05458	1.9
165.05450	100.0
166.05769	3.0
167.06969	0.3
179.07019	1.0
182.84244	0.2
209.08069	0.2
217.08499	0.2
221.11696	61.8
222.12030	2.6
223.23334	0.2
231.10127	0.4
234.62634	0.2
237.11200	0.2
253.10254	0.2
287.13116	0.5
287.16376	11.2
288.16708	0.8
305.17462	6.7
305.20956	0.6
306.17844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1741
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
51.13468	0.2
52.60272	0.2
53.03941	0.4
55.01860	0.7
55.02089	0.2
55.05505	1.8
56.36591	0.2
56.40285	0.2
56.51194	0.2
57.03415	0.4
57.06797	0.2
57.07067	3.5
58.07383	0.3
59.05001	0.2
65.03928	0.4
67.05496	2.2
68.99806	0.2
69.03040	0.3
69.03416	5.6
69.07062	1.5
79.05492	1.5
81.03397	0.7
81.07048	3.5
83.01319	2.5
83.04962	0.5
83.08604	0.6
85.06530	0.3
91.05463	2.1
93.07027	5.5
95.04947	1.3
95.08590	1.8
97.06513	0.4
104.20434	0.2
105.07017	1.9
106.38760	0.2
107.04961	0.3
107.08580	3.3
109.02852	1.8
109.05832	0.3
109.06509	3.9
109.10143	2.8
111.04399	0.2
115.13609	0.2
117.07021	0.2
119.04906	0.6
119.08601	1.1
121.06448	1.3
121.10134	0.7
123.04389	1.0
123.08050	1.2
123.11687	5.2
125.05978	1.3
127.03895	2.0
129.06978	0.4
130.84813	0.2
131.08481	0.3
133.06480	0.6
133.10112	1.0
135.08023	0.5
135.11668	2.9
137.04926	0.3
137.05959	6.0
139.03871	1.7
141.05450	2.6
141.12692	0.3
142.07733	0.4
143.08551	0.2
145.10057	0.3
147.04382	0.5
147.08040	0.9
147.11668	0.5
149.05972	0.6
149.09612	0.2
149.13216	0.2
151.07550	2.5
153.05449	19.7
154.05815	0.5
155.07066	0.3
155.08450	0.2
157.10080	0.7
159.08139	0.3
161.05959	0.7
161.09619	0.5
162.06773	0.2
163.07524	0.8
164.04710	0.2
165.05452	79.9
166.05777	2.2
167.07034	1.2
167.08325	0.2
173.09602	0.3
175.07558	1.4
175.11159	0.7
177.05461	1.5
177.09053	0.6
179.07008	48.9
180.07378	1.4
183.06474	0.4
185.09589	0.7
188.08302	0.6
189.05499	1.2
189.09093	0.8
190.06235	0.7
191.07053	1.8
193.08620	1.2
199.11066	0.3
201.09076	0.4
203.07011	5.8
203.10590	1.4
203.14154	0.3
204.07683	0.4
205.08574	7.3
207.06535	0.4
207.10135	0.8
213.09084	0.5
217.08580	1.9
219.10159	2.6
221.08185	0.6
221.11696	19.3
222.12012	0.8
230.59593	0.2
231.10132	18.7
232.10493	0.7
237.11179	0.6
243.10139	0.3
244.11023	0.3
245.11751	1.8
246.12047	0.3
259.17035	0.2
269.15347	0.4
273.14929	0.3
287.16373	100.0
288.16690	5.6
288.19766	0.4
305.17410	33.6
306.17722	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1743
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
53.03938	0.2
55.01859	0.8
55.05503	2.0
57.03405	0.1
57.07062	0.4
65.03940	0.5
67.05494	2.1
69.03038	0.3
69.03417	5.6
69.07056	2.1
69.57824	1.2
79.05487	1.5
81.03403	0.7
81.07043	3.0
83.01324	2.2
83.01807	0.2
83.04984	0.5
83.08610	0.4
85.02908	0.2
91.05465	1.5
93.07032	6.2
95.04953	1.4
95.08591	1.6
97.06528	0.3
97.10178	0.2
105.07003	1.6
107.04964	0.3
107.08580	3.5
107.70671	0.1
109.02847	1.3
109.06503	3.5
109.10147	2.8
111.04419	0.2
115.05523	0.1
117.06995	0.3
119.04928	0.5
119.08556	0.9
121.06485	1.1
121.10153	0.8
123.04401	1.1
123.08058	1.6
123.11689	5.6
124.12093	0.2
125.05988	1.2
125.14235	0.1
127.03899	1.6
129.06992	0.3
131.08490	0.3
133.06483	0.5
133.10083	0.9
135.08035	0.7
135.11665	3.3
137.05959	5.1
137.06993	0.3
139.03868	1.5
141.05447	2.8
142.07747	0.4
143.08537	0.3
145.06541	0.2
145.10107	0.2
147.04433	0.2
147.08041	0.9
147.11662	0.4
149.06004	0.3
149.09607	0.2
151.07532	2.2
152.07834	0.1
153.05446	18.2
154.05783	0.5
155.06989	0.2
157.10106	0.9
159.08078	0.3
160.08835	0.2
161.05937	0.7
161.09627	0.3
161.13318	0.2
163.07538	0.8
163.14870	0.2
164.04677	0.3
165.05453	55.9
166.05782	1.6
167.07004	0.8
167.08492	0.3
171.07965	0.1
171.11676	0.2
173.09718	0.2
174.06857	0.2
175.07527	1.6
175.11157	0.5
175.14859	0.1
177.05469	1.0
177.09081	0.5
179.07007	52.3
180.07372	1.7
181.08534	0.1
183.06544	0.1
185.09521	0.7
187.07549	0.4
188.08270	0.4
189.05421	1.1
189.07079	0.1
189.07579	0.2
189.09039	0.8
189.12775	0.2
190.06206	0.6
191.07007	2.1
191.10718	0.1
193.08575	1.3
199.11121	0.3
201.09082	0.2
202.09764	0.1
203.07008	5.7
203.10617	1.2
203.14333	0.4
204.07646	0.7
205.08577	8.4
206.08940	0.4
207.06541	0.4
207.10068	0.8
212.08264	0.1
213.09000	0.4
216.99931	0.1
217.08568	1.8
217.12106	0.2
218.09378	0.3
218.65866	0.1
219.10132	2.1
220.10577	0.2
221.08064	0.6
221.11568	0.3
223.09613	0.2
227.10638	0.2
229.08521	0.3
231.10132	19.9
232.10431	1.0
235.13110	0.7
237.11198	0.4
241.15869	0.3
243.10307	0.2
244.11002	0.1
245.11641	2.2
246.12183	0.1
259.13303	0.2
263.14273	0.5
269.15311	0.4
275.14142	0.2
281.27789	0.1
287.16373	100.0
288.16711	6.9
290.16577	0.2
305.17398	29.9
306.17847	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	305.174
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
53.03928	0.3
55.01844	0.6
55.05488	0.3
57.07062	0.4
63.86249	0.1
65.03934	0.3
67.05492	0.7
69.03416	0.3
69.07032	0.4
69.57900	0.7
70.16476	0.1
79.05464	1.0
81.03397	0.8
81.07040	3.6
82.07373	0.1
83.01309	0.6
86.59476	0.1
91.05460	1.2
93.07027	0.9
95.04943	0.3
95.08578	1.0
105.06980	0.4
107.04948	0.1
107.08578	1.0
109.02165	0.1
109.02858	1.6
109.06498	4.7
109.10137	0.9
110.06830	0.1
111.04396	0.1
119.04909	0.7
119.08575	0.3
119.55307	0.1
121.06485	0.2
121.10139	0.4
123.04418	0.1
123.11679	14.7
124.12012	0.5
125.05967	0.2
125.09640	0.1
127.03017	0.1
127.03889	1.6
131.08513	0.2
133.10086	0.4
135.08006	0.2
135.11664	2.9
136.12029	0.1
137.05951	6.9
138.06328	0.1
139.03848	0.2
142.07678	0.1
143.08508	0.1
147.04382	0.4
147.11655	0.3
149.09656	0.1
151.07491	0.4
153.05437	5.0
154.05803	0.1
157.10042	0.1
158.97047	0.1
159.07997	0.1
162.06686	0.1
163.07547	0.7
165.05441	100.0
166.05779	3.2
167.06992	0.9
167.84947	0.1
175.07527	0.1
175.11070	0.1
177.05482	0.2
177.09102	0.4
179.07010	1.5
183.06482	0.1
187.07553	0.1
189.05330	0.1
191.07018	0.2
193.08566	0.4
201.09016	0.1
203.07010	0.2
205.08548	1.8
207.10207	0.3
211.09624	0.1
213.08992	0.1
217.08553	0.2
223.09605	2.1
224.09981	0.2
227.10594	0.1
229.12161	0.1
231.10109	0.6
235.13229	0.1
245.11623	0.2
259.13199	0.1
269.15286	0.8
287.16357	31.7
288.16684	1.8
305.17407	17.0
306.17682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1743
Annotation	Ialibinone E
Peak:m/z	Relative Intensity
52.27325	0.1
52.57743	0.2
53.03937	0.3
55.01854	0.7
55.05504	1.7
57.03414	0.3
57.07052	0.4
59.04979	0.2
65.03926	0.3
67.05494	1.2
69.03423	1.5
69.06692	0.3
69.07056	5.1
69.63660	0.7
69.64088	0.7
71.04977	0.8
77.03880	0.2
79.05492	1.3
81.03406	1.0
81.07041	3.1
83.01302	1.0
83.04961	0.3
83.08609	0.9
85.02883	0.2
85.06566	0.2
89.03795	0.2
91.05458	1.8
93.07035	1.7
95.04942	0.5
95.08595	1.4
97.06502	0.9
97.10112	0.2
102.94129	0.1
105.07021	0.7
107.04937	0.1
107.08573	1.8
109.02853	2.5
109.05733	0.3
109.06496	5.3
109.10126	2.4
111.04439	0.2
111.08071	0.2
111.11694	0.2
111.27628	0.1
113.05966	0.2
119.04936	0.7
119.08538	0.4
121.06469	0.8
121.10095	0.5
123.04398	0.3
123.08051	0.3
123.11687	5.5
125.05977	0.8
127.03892	2.4
131.08502	0.2
133.10118	1.0
135.08047	0.3
135.11678	2.6
137.05949	7.3
138.10962	0.1
139.03860	0.6
139.07513	1.5
139.48219	0.1
141.05466	0.2
141.12787	0.2
141.43753	0.1
147.04356	0.3
147.11653	0.3
149.05939	0.8
149.09615	0.2
151.07541	0.8
151.11121	0.3
153.05437	6.2
153.12737	0.9
155.06961	0.2
161.05919	0.5
161.09543	0.3
163.07466	0.3
165.05449	100.0
166.05798	2.7
167.07007	42.9
168.07318	1.0
173.09413	0.2
175.07544	0.4
177.05434	1.0
177.09058	0.6
179.07021	3.7
180.54051	0.2
181.04915	0.2
181.08548	0.5
183.06516	0.2
187.07635	0.2
189.09052	0.6
191.07050	0.7
193.04929	0.6
193.08566	1.7
195.06512	1.7
195.10112	0.4
201.09012	0.2
203.06975	0.5
203.10555	0.4
205.08562	5.6
207.10147	1.1
209.08292	0.2
213.09055	0.2
217.08554	0.9
219.10156	1.1
221.08350	0.7
221.11707	2.8
223.09601	1.5
231.10103	1.7
231.13702	0.2
232.10625	0.2
235.09622	3.7
235.13234	0.3
237.11127	0.4
245.11589	0.5
245.15414	0.2
247.13292	0.6
249.11206	0.3
259.16922	1.0
261.14819	0.3
265.54117	0.2
269.15228	0.5
287.16364	15.0
288.16757	0.7
305.17416	40.2
306.17770	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	305.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.5
55.05502	10.8
57.03430	5.5
57.07058	2.2
57.10480	1.9
57.16296	2.0
57.19652	1.8
58.39555	2.0
67.05499	15.6
68.99776	2.4
69.03422	24.9
69.07062	13.8
69.92814	11.9
70.06590	3.5
71.04966	10.6
72.00404	1.8
73.89927	1.7
79.05479	17.5
81.07046	32.4
81.84549	1.9
83.04971	25.4
83.08630	2.9
84.04467	2.6
85.02907	5.4
85.06533	10.2
86.09686	2.3
91.05476	14.5
93.07031	42.5
95.04959	24.6
95.08597	27.6
95.10464	1.9
95.19311	2.4
97.02876	2.1
97.06518	19.1
99.04462	5.6
99.08082	3.3
101.06009	2.1
105.06999	21.9
107.04926	2.9
107.08588	27.0
109.02915	1.9
109.06512	49.3
109.10138	3.9
111.04417	6.3
111.08071	8.7
113.05971	16.2
115.07565	2.1
117.07018	7.9
119.08595	14.6
121.06495	14.0
121.10117	13.8
123.04414	12.1
123.08064	8.9
123.11707	4.9
125.06002	11.6
125.09624	3.3
127.03897	4.0
127.07551	9.2
129.05486	8.8
129.06979	3.9
131.08554	9.0
133.10146	6.8
133.54559	2.2
135.08037	11.2
135.11662	15.9
137.02324	19.0
137.05980	5.9
137.09598	3.0
139.03925	3.7
139.07555	7.9
141.05476	4.3
141.07005	2.8
141.09082	2.5
143.07016	13.2
143.08562	7.9
145.06429	3.2
145.10107	27.0
147.04431	3.3
147.08064	3.4
147.11641	6.6
149.02347	8.3
149.09630	3.3
149.13257	7.2
151.07497	3.1
153.01817	13.0
153.12683	2.2
155.07037	4.2
157.04997	2.7
157.08607	5.9
159.06525	6.9
159.07994	2.4
159.11653	18.9
161.05940	2.4
161.09583	3.5
161.13235	4.1
163.03857	2.1
163.11154	28.1
165.05406	2.7
165.09090	4.9
165.12639	4.0
169.10147	4.1
172.08769	2.3
173.08073	5.1
173.09564	4.7
175.03882	3.2
175.11182	4.1
177.01863	4.1
177.05466	2.1
177.12685	13.0
179.10701	3.2
179.14406	2.3
181.12233	27.4
183.10155	3.5
185.05931	2.6
187.11157	32.9
189.12636	2.3
191.03362	2.9
191.10663	4.4
195.02797	10.1
195.13686	4.5
199.11592	2.4
199.13232	9.6
200.96100	2.0
203.03381	5.6
205.12236	43.1
206.12534	4.1
209.11771	3.0
213.05595	3.1
215.07179	3.4
215.10689	6.8
219.02914	11.2
223.13264	100.0
224.13635	5.2
227.12735	10.3
231.06517	7.2
233.11682	7.6
241.14308	51.0
245.13831	10.7
251.12753	22.2
259.05951	5.5
259.14944	2.9
269.13815	25.9
276.05051	2.4
287.01846	7.1
287.05472	15.3
287.10370	12.9
287.14737	3.0
290.04150	2.6
290.33481	2.0
305.06186	16.7
305.10260	5.2
305.15070	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	305.159
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03935	2.1
55.01860	1.6
55.05499	6.3
57.03423	3.0
57.07062	3.1
61.02915	3.8
67.05492	3.0
69.03421	11.6
69.07090	1.9
70.04608	6.3
71.04983	32.1
73.02920	2.0
73.06548	4.6
79.05476	2.1
81.03411	8.1
81.07047	4.1
83.04973	7.1
83.08587	5.9
85.02901	28.3
85.06537	13.2
91.03938	1.4
91.05514	1.7
95.04945	7.9
95.08572	1.4
97.02901	6.5
97.10143	13.1
99.04404	1.6
107.08581	48.7
107.94498	1.2
108.08942	1.9
109.02840	2.3
109.06492	1.5
113.09597	1.2
123.04439	3.2
125.09612	91.0
126.09955	2.7
127.03922	4.6
136.07585	3.7
137.02315	1.9
137.09604	2.2
140.63866	1.3
143.10660	100.0
144.10991	2.1
145.04971	4.4
149.02332	2.5
153.01839	3.3
167.10674	6.5
179.10728	2.1
209.11974	1.3
211.76569	1.2
214.16434	1.2
231.06491	1.8
233.11691	1.3
241.13234	1.4
259.05939	3.5
269.12936	2.9
287.05350	2.7
305.06494	2.0
305.15018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27098	2.6
53.03920	4.0
55.01845	5.9
55.05492	9.9
57.03421	8.7
57.07059	3.6
65.03940	3.6
67.05494	17.4
68.99787	4.5
69.03413	26.5
69.07049	14.8
69.51136	33.3
71.04980	10.4
79.05468	13.3
81.03383	6.7
81.07047	38.5
83.04961	29.4
83.08602	6.3
85.02888	12.7
85.06524	9.5
91.05468	11.6
93.07037	50.3
95.04969	24.4
95.08596	32.0
97.02865	3.2
97.06512	22.3
99.04411	3.4
101.06011	9.0
105.07014	28.4
107.04954	4.8
107.08570	29.6
109.02862	4.4
109.06501	57.3
111.04433	6.1
111.08070	8.8
113.05994	17.2
117.07036	4.2
119.04876	3.2
119.08546	16.6
121.02873	8.7
121.06500	15.7
121.10153	14.7
123.04427	21.2
123.08044	15.5
123.11656	4.9
125.05969	19.1
127.03872	14.7
127.07574	9.9
129.05434	5.3
130.05020	4.2
131.08603	7.6
133.10110	8.7
135.04382	3.5
135.08031	11.5
135.11720	18.3
137.02333	36.8
137.05940	7.3
139.03865	5.4
139.07542	9.1
139.11208	3.7
141.05458	4.4
141.07016	3.5
143.07034	9.4
143.08560	7.6
145.10103	36.1
147.04388	8.4
147.08046	4.5
149.02319	22.5
149.13232	8.7
151.03790	5.1
153.01811	31.2
155.06969	5.3
157.08554	6.1
159.06485	13.4
159.11655	19.1
161.09633	4.4
161.13315	5.7
163.11136	33.4
165.05473	4.2
167.03334	3.7
169.10045	7.8
173.08109	4.2
173.09612	3.6
175.03810	17.5
175.11095	5.4
176.14340	6.8
177.01790	14.8
177.12770	16.6
181.12230	24.2
185.06033	4.1
187.11150	31.4
191.10664	4.7
195.02869	44.8
195.13850	6.1
197.09505	3.7
199.13263	12.0
203.03329	24.4
205.12234	52.5
209.11731	5.4
213.05437	4.3
215.10712	9.7
223.13252	100.0
224.13614	8.4
227.12794	8.9
231.06458	12.8
231.21864	3.2
233.11594	8.0
241.12115	5.4
241.14337	61.0
241.16628	5.6
242.14662	7.4
245.04428	4.4
245.13916	8.9
251.12686	21.1
259.06073	14.9
259.15326	4.0
261.07690	3.6
269.04535	4.7
269.13812	33.7
287.05487	69.9
288.05624	6.7
305.06540	25.7
305.09650	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	305.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.05506	5.8
55.93547	1.1
56.05034	3.2
56.96557	7.9
57.03426	2.0
58.06588	3.8
64.85543	1.1
67.05476	1.9
69.03421	2.9
69.07093	1.6
70.06580	2.1
70.22428	6.6
70.84337	1.1
71.04996	2.5
72.08145	2.1
74.97601	1.2
79.05492	2.5
81.03416	11.6
81.07053	2.1
83.04961	2.5
83.06094	5.9
84.04495	71.3
84.08133	100.0
84.96019	1.4
85.02892	13.4
85.05344	1.2
85.06530	4.6
86.06055	2.7
86.09702	4.0
89.03907	2.4
91.05478	1.8
94.06542	2.2
95.04937	2.2
95.08587	1.9
96.08108	1.3
97.02870	1.8
98.06030	2.7
98.20782	2.3
98.97576	5.0
99.04449	4.0
101.07131	19.1
102.05522	8.3
107.04955	1.9
107.08566	1.7
109.02868	63.9
109.06519	1.5
111.04437	1.5
112.11230	12.6
113.05997	46.6
116.98629	4.0
117.03381	2.2
117.05488	23.6
119.04937	2.7
121.01547	1.2
121.02853	1.9
123.04434	7.0
125.02376	1.4
125.09613	1.4
126.03802	1.3
126.05508	36.8
127.03900	8.8
128.98618	2.5
129.06583	19.8
129.10239	1.2
130.04993	40.4
132.08415	1.1
132.95868	1.3
134.99638	3.6
135.04443	6.3
137.02312	3.5
139.03949	2.0
139.12270	1.9
141.05453	86.8
142.05759	1.3
142.08623	1.7
143.00182	3.2
143.03395	4.2
143.07054	2.3
143.08145	1.8
143.10655	1.3
144.04764	1.5
144.06532	14.7
144.10158	1.4
145.02834	3.3
146.99626	3.5
147.04391	8.5
147.07628	29.9
149.01237	2.4
149.02339	6.9
149.96156	1.7
150.96877	1.8
151.03915	1.5
153.01811	7.0
155.03470	1.3
157.06192	1.8
158.08112	8.9
159.03284	1.3
159.06592	1.6
161.01204	4.7
163.03891	24.2
164.04279	2.9
164.07062	13.9
165.05484	4.4
166.04880	2.0
167.03416	1.9
170.99669	1.4
171.07747	1.6
176.09160	4.2
177.00632	1.2
177.03224	2.4
179.05843	1.4
185.03607	1.1
185.12839	2.0
192.06578	5.0
195.02892	2.5
197.08174	1.3
203.03441	2.0
208.28708	1.2
210.07594	5.3
213.00526	1.4
213.05562	1.6
213.12311	26.4
219.01779	4.7
220.06062	16.3
221.11757	1.4
227.10431	2.1
231.01730	1.5
231.06511	4.5
231.09764	1.5
237.02814	6.4
237.08672	7.4
238.07059	23.6
241.15443	40.0
242.10214	5.0
249.02780	1.7
255.09743	21.3
256.08087	1.3
259.06027	7.3
260.09384	2.3
267.03979	1.4
269.11407	3.2
270.09753	7.9
273.10800	5.4
280.57059	1.7
287.05539	5.2
287.12372	19.8
287.15973	2.2
288.10602	1.9
305.06100	2.4
305.09543	4.3
305.12872	3.8
305.15775	16.4
306.04193	1.6
323.10107	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	305.1016
Annotation	Griseophenone C
Peak:m/z	Relative Intensity
51.05076	0.1
53.03931	0.4
55.01865	0.2
55.05498	0.4
59.40032	0.2
65.03921	0.2
67.01859	3.5
67.05498	0.3
68.02642	0.3
68.99767	0.8
69.03401	0.4
69.07039	0.3
70.10085	0.8
71.04989	0.2
79.01854	0.4
79.05476	0.5
81.03422	0.3
81.07025	0.6
83.01302	0.2
83.04969	0.6
85.06544	0.2
85.67919	0.2
91.05472	0.2
93.07022	0.4
95.04962	0.5
95.08600	0.4
96.65761	0.2
97.10159	0.2
99.04448	0.2
105.03339	0.2
105.07021	0.3
106.01942	0.1
107.01307	0.2
107.08567	0.6
108.02038	0.2
109.06499	0.5
109.10125	0.3
111.04428	2.9
117.07030	0.2
119.08576	0.3
121.10099	0.5
122.03631	2.4
123.04417	0.6
124.01563	0.2
125.06005	0.8
125.09633	0.3
133.02892	0.1
133.10135	0.2
135.00833	0.2
135.11664	0.3
137.02348	0.3
137.05925	0.2
139.03874	0.6
139.07553	0.3
142.66371	0.2
147.11684	0.3
149.02335	0.6
149.13252	0.2
151.03857	0.5
152.01033	0.6
153.01793	0.9
155.03381	0.2
155.07024	3.9
155.08307	0.2
159.11751	0.2
163.03865	0.3
165.05464	10.1
166.05789	0.4
167.03377	100.0
168.03729	2.5
175.11079	0.2
185.04463	1.9
195.02867	0.2
201.05405	0.2
231.06395	0.5
235.09618	0.3
244.97433	0.2
253.13803	0.2
259.05957	0.5
283.02832	0.2
287.02408	0.2
287.05447	0.9
287.08591	0.3
287.16525	0.3
305.05682	2.3
305.10150	19.5
305.17426	0.4
306.10522	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01867	0.4
55.05500	0.3
55.56436	0.1
65.85532	0.1
67.05497	0.4
68.99801	0.6
69.03419	0.2
69.07056	0.4
70.06575	0.2
71.04984	0.2
71.82342	0.2
79.05482	0.5
81.07056	0.6
91.05481	0.4
93.07040	0.8
95.04964	0.3
95.08598	0.4
97.06577	0.2
99.08092	0.2
105.07031	0.6
107.04931	0.2
107.08567	1.2
109.10148	0.3
111.04412	0.2
117.06985	0.2
119.08553	0.6
119.10381	0.1
121.10168	0.5
123.04430	0.6
123.11707	0.3
125.09646	0.3
129.07019	0.3
133.10120	0.4
135.04434	0.2
135.08031	0.3
135.11723	0.4
137.05943	0.2
139.03900	0.2
143.10667	0.6
145.10097	0.4
147.11716	0.4
149.02344	0.5
149.13210	0.8
151.03896	0.3
153.01823	1.9
153.05449	0.3
157.06438	0.3
159.11642	0.2
161.02303	0.2
161.05968	0.3
161.13220	0.2
163.03888	0.4
165.05507	0.5
167.03397	0.2
181.05022	0.3
183.10133	0.2
185.06001	0.6
191.07008	0.2
199.03943	0.5
201.05527	0.2
201.16440	0.3
203.03545	0.2
203.07069	0.6
212.04659	0.4
213.05443	4.2
216.04182	1.4
217.04932	0.2
218.05495	0.2
221.11684	0.3
223.03909	0.4
227.03307	0.2
229.04959	0.2
231.06506	8.8
232.03650	0.5
233.04468	0.4
235.01820	0.1
235.09579	0.4
240.04089	0.8
241.04913	4.8
243.02753	0.2
244.03622	1.2
245.04401	0.9
246.88899	0.2
257.04568	0.2
259.06006	9.3
260.06415	0.4
269.04388	4.6
270.04849	0.3
272.03177	0.4
287.05469	100.0
288.05774	3.1
305.06540	9.4
305.10147	0.5
305.17575	0.3
305.24683	0.7
306.06866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0651
Annotation	Securixanthone A
Peak:m/z	Relative Intensity
55.05468	0.4
57.07008	0.3
67.05443	0.4
69.03374	0.3
69.07019	0.4
70.06532	0.2
71.04955	0.2
79.05424	0.3
81.06963	0.9
85.06444	0.3
91.05425	0.5
93.06939	0.6
95.04904	0.4
95.08530	0.6
98.20663	0.6
105.06964	0.5
107.08492	1.0
109.02776	0.3
109.06454	0.4
109.10056	0.7
119.08481	0.8
121.06438	0.2
121.10020	0.8
123.04388	0.3
123.08009	0.3
125.09509	0.3
133.06416	0.4
133.10043	0.4
135.11584	0.9
137.02237	0.7
138.03134	0.4
145.10100	0.3
147.11632	0.3
149.02277	0.2
151.03882	0.3
153.01724	0.7
155.03317	0.3
163.03847	0.4
165.05446	1.1
166.02492	0.5
167.03360	1.2
171.11630	0.4
172.33884	0.2
173.09485	0.4
175.11058	0.6
177.05444	2.1
180.04044	0.7
184.03563	0.7
188.04556	0.2
193.04884	0.3
202.02538	0.3
203.03282	0.3
205.04884	0.8
206.05711	5.2
207.02808	0.9
208.07530	0.2
213.12766	0.3
215.03284	0.3
216.04146	1.4
217.04912	2.4
231.02869	0.4
231.06427	1.5
233.04417	2.1
234.05133	1.1
244.03726	1.3
245.04437	3.4
247.02382	0.9
259.05911	1.2
261.03937	2.5
262.04706	8.9
263.05066	0.3
269.15240	0.3
273.03906	0.4
274.04602	0.3
274.20990	0.3
275.01898	0.6
287.05493	0.6
287.13202	0.3
287.16275	1.3
290.04175	31.2
291.04547	0.9
305.06519	100.0
306.06830	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	305.0651
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
51.08397	1.0
53.45267	0.9
61.13594	0.9
65.03930	1.7
67.01845	1.7
68.99779	2.7
69.03405	1.4
69.73186	6.9
69.73584	1.9
84.62457	0.9
85.02909	0.9
86.03777	1.0
95.04971	3.8
98.20660	1.2
105.03382	1.2
111.04451	4.7
121.02858	7.3
123.04414	58.1
124.04801	1.0
127.03900	2.6
133.02864	3.2
135.04402	2.3
136.46086	0.9
137.02374	1.4
139.03879	3.5
149.02322	66.9
150.03047	1.5
151.03877	2.6
153.01808	100.0
154.02142	2.3
157.06485	3.4
161.02281	4.8
167.03372	9.9
175.07578	1.3
176.14333	2.7
179.03416	4.7
185.05928	7.7
195.02850	18.8
203.03433	1.2
203.06927	1.3
205.14999	0.9
208.09261	1.0
213.05435	11.1
231.06497	47.2
232.06905	2.8
241.04866	5.7
258.05246	1.7
259.05991	71.3
260.06396	1.7
263.14450	0.9
269.04132	1.0
287.05472	24.3
287.08731	1.4
288.98923	0.9
305.06522	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0651
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
50.67687	0.7
52.97230	0.7
55.01852	2.0
55.05501	1.3
57.03427	1.2
58.15755	0.8
61.02925	0.7
65.03912	2.3
67.01844	3.9
67.05484	2.4
68.99776	5.7
69.03425	4.6
69.07037	1.1
71.04974	0.9
71.44123	1.4
74.19225	0.7
81.03397	1.9
81.07036	1.3
83.01315	1.0
83.08607	1.8
85.02432	1.1
85.02890	7.8
85.06528	1.6
89.03910	0.9
91.05470	1.0
95.04945	3.7
97.02888	3.6
97.06514	2.3
97.10171	1.8
99.08083	1.0
105.03351	1.8
105.06988	1.5
107.04955	1.0
107.08536	1.2
109.02868	2.7
111.00768	1.7
111.04427	5.4
115.05397	1.0
121.02858	11.7
121.03690	1.5
121.10104	0.8
122.05981	1.2
123.04414	65.0
124.04736	1.6
125.05953	1.1
125.09578	2.3
127.03889	12.4
129.01784	1.3
129.06996	2.1
133.02818	2.4
135.04419	3.7
137.02359	4.3
137.05942	1.1
139.03883	5.7
139.05408	1.0
142.08620	1.4
143.07005	4.8
143.10654	6.0
145.05005	1.1
147.04427	3.1
149.02324	80.2
150.02904	1.7
151.03874	6.2
153.01805	100.0
153.20027	0.7
154.02141	1.7
155.03366	1.3
157.06487	6.8
161.02301	6.2
161.06009	1.3
163.03966	1.0
163.07489	1.1
165.05431	1.1
167.03395	12.0
167.04741	1.0
171.02875	11.6
171.04317	1.6
175.03894	2.9
175.07565	2.5
179.03392	5.0
185.05960	9.6
185.09837	0.7
189.05334	1.1
191.07118	1.1
195.02870	19.1
195.04538	1.6
197.06013	0.8
203.03339	7.6
203.07063	2.4
213.05429	15.2
217.04932	1.0
231.06485	58.3
232.06738	1.0
241.04901	9.3
245.04414	1.6
258.05264	2.4
259.05994	94.3
260.06366	2.2
269.04434	2.3
287.01913	7.5
287.05402	39.5
305.06531	16.1
305.09885	1.7
305.15457	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	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01860	1.6
55.05493	1.4
57.03413	3.2
58.06578	1.0
60.04504	7.4
61.02912	3.2
67.01835	1.6
67.05488	1.6
68.99778	1.8
69.03413	13.2
69.07055	30.2
70.06594	1.8
70.17061	3.7
71.04971	1.9
71.08622	19.8
73.02892	2.3
75.47862	1.0
79.05490	1.8
81.03404	8.2
81.07028	0.9
83.01308	1.5
83.08589	1.1
84.04491	4.4
85.02891	56.7
85.06551	0.9
86.02421	5.3
86.03211	1.6
91.03944	1.0
93.07000	1.0
95.04938	1.8
96.08124	3.9
97.02877	34.5
97.06501	6.1
98.06009	0.8
99.04411	1.9
103.03931	5.0
105.03379	0.9
106.36581	0.9
109.02856	9.5
109.06469	0.8
111.04439	1.1
114.09150	17.9
121.02837	3.6
123.04406	20.0
124.04713	1.8
124.07578	2.5
125.09654	1.0
127.03896	16.1
129.07036	1.0
130.06445	1.5
133.02824	1.1
135.04430	1.6
137.02333	4.3
138.09097	2.8
139.03870	2.7
142.08612	100.0
143.07014	2.7
143.08946	1.7
143.10649	1.3
145.04936	6.7
147.04414	1.4
149.02312	23.4
151.03902	5.2
152.04234	2.3
153.01802	23.7
153.06548	0.8
155.03352	1.3
156.10168	3.4
157.06464	1.1
163.03865	1.3
165.05486	2.0
167.03358	2.7
167.07027	2.9
168.07359	3.4
171.02893	3.1
175.03859	1.5
175.07620	1.0
179.03394	1.6
184.09665	61.6
185.05959	3.1
185.09978	1.1
195.02776	4.7
195.22398	1.0
203.03351	3.8
208.09630	14.1
213.05435	5.3
218.35802	0.9
220.09512	1.9
231.06471	18.5
238.10759	2.2
241.04967	2.7
250.10779	9.4
259.05981	27.7
286.12210	2.3
287.01880	5.9
287.05463	14.7
291.71527	0.9
304.05289	10.7
304.08804	2.3
304.13922	4.6
305.06323	5.0
305.15430	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	303.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05507	3.0
58.17683	0.3
61.38797	0.2
61.68163	0.3
65.03920	0.7
67.01841	1.4
67.05491	2.0
68.99775	2.2
69.03420	0.4
69.07060	2.2
69.62860	1.0
69.63292	1.5
79.05470	0.9
81.03397	0.7
81.07049	5.7
82.06593	0.5
82.33057	0.3
83.08617	1.7
91.05465	1.0
91.58094	0.3
93.03379	0.6
93.07025	1.2
95.04961	0.8
95.08612	2.2
97.06516	0.3
97.10137	0.8
99.08096	0.3
100.11256	2.9
101.11568	0.3
105.06993	1.0
107.04237	0.5
107.04944	7.2
107.08582	1.4
109.02852	1.1
109.06542	0.4
109.10139	3.9
110.06012	0.3
111.00797	1.6
111.04401	0.6
111.11709	0.3
115.05454	0.3
117.06991	0.8
119.04915	0.5
119.08546	0.9
121.02848	2.0
121.06467	0.6
121.10127	2.6
123.04395	1.2
123.11705	1.4
127.03923	0.4
128.06192	0.4
128.07111	0.4
129.06975	0.3
131.08559	0.4
133.06430	0.4
133.10098	0.5
135.04405	20.6
135.11682	0.5
136.04756	0.3
137.02335	7.3
137.05949	1.9
139.03900	1.4
141.11488	0.9
145.02852	0.4
145.06458	1.0
145.10150	0.7
147.04347	0.6
147.11694	0.9
149.02260	0.7
149.05978	1.5
151.03873	1.1
151.07497	0.3
153.01817	9.2
153.05464	2.6
153.06720	0.4
155.04884	1.0
155.08487	0.4
155.11244	0.4
157.06480	0.5
159.08060	0.6
160.05167	0.3
161.05986	2.9
163.03886	18.6
163.07538	0.8
163.64348	0.3
164.04204	0.4
165.01816	3.6
165.05568	0.4
165.06950	0.3
165.12758	0.5
166.02560	0.4
173.05977	3.0
173.09593	1.4
175.07549	4.1
175.11165	0.3
177.01833	0.3
177.05486	1.5
177.09070	0.7
179.03355	0.6
181.04933	9.5
182.15399	0.9
183.02908	1.4
183.04355	0.5
183.07922	0.5
187.03865	0.8
187.07538	3.1
188.08319	0.4
189.05490	1.0
189.09122	0.9
195.02905	0.3
195.06560	0.4
201.05447	4.9
201.09102	4.4
203.07019	0.7
205.04939	1.4
205.12163	0.3
207.06499	1.2
209.16449	0.5
210.14891	0.9
211.07547	0.6
213.05399	0.5
213.17920	0.6
215.07050	2.2
215.10669	0.7
217.08620	0.4
218.66150	0.4
219.06519	1.7
221.08096	3.0
226.18951	0.3
227.17590	0.7
229.04959	9.0
229.08446	2.5
230.05351	0.6
233.08047	2.5
243.10101	0.6
247.05959	0.9
247.09669	2.2
257.04453	4.6
257.15347	10.1
261.03986	0.3
271.09491	0.4
274.04678	1.4
275.05185	0.4
285.04010	2.0
285.14774	5.4
285.24112	0.5
303.04968	100.0
303.15820	5.6
304.05286	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	303.1587
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
55.01929	1.0
55.05585	2.7
57.03492	1.2
57.06843	1.5
57.07154	7.7
58.24181	0.5
67.05591	3.3
68.69762	0.5
68.99863	0.8
69.03516	7.0
69.07150	5.1
69.58898	5.9
71.05060	0.5
79.05592	5.8
81.03503	0.8
81.07157	4.2
83.00895	3.5
83.01438	36.9
83.05080	2.3
83.43554	0.6
85.03004	4.6
85.06637	1.6
86.79598	0.6
89.19300	0.5
91.04971	0.8
91.05579	6.9
93.06516	0.9
93.07147	10.5
95.05072	3.5
95.08707	4.5
97.06612	0.9
99.04446	6.6
103.05558	1.1
105.07014	15.4
107.04989	1.2
107.08578	7.3
109.02918	1.0
109.06496	5.3
109.10136	5.0
109.51319	0.6
115.05571	1.7
117.07019	3.7
119.05053	2.0
119.08565	7.5
121.06496	4.9
121.10125	29.5
123.04546	1.6
123.08169	2.0
123.11797	0.6
125.02454	1.1
125.06069	0.6
127.03994	0.8
127.07617	0.7
128.06311	1.9
129.06221	0.5
129.07100	2.3
130.07895	2.5
131.05035	0.7
131.08562	6.4
133.06580	1.7
133.10103	10.6
135.04546	1.1
135.08130	1.9
137.02431	1.6
137.05936	3.3
139.03983	1.1
139.54370	0.6
140.04843	0.7
141.07114	1.8
142.07758	1.1
143.08533	3.3
144.09390	1.0
145.06488	4.4
145.10109	12.4
147.08153	2.1
147.11752	1.7
149.06131	2.3
149.09546	3.6
151.03889	5.5
151.07626	1.5
151.11275	0.6
153.01865	1.5
153.05580	4.4
153.06969	1.1
154.07782	0.8
155.08517	6.0
156.09401	1.4
157.05080	1.2
157.10104	5.5
158.07390	1.3
159.04547	1.0
159.08041	7.0
159.11667	5.7
161.05940	3.5
161.09712	2.0
163.03984	1.7
163.07608	1.9
163.11238	1.6
165.05466	17.1
165.09142	0.7
166.05852	0.7
167.07166	2.2
167.08679	2.3
168.04230	2.3
168.09427	2.4
169.05060	1.3
169.10103	3.7
171.08014	8.9
171.11662	1.0
172.08783	0.7
173.05957	3.2
173.09587	25.8
173.13263	1.0
175.03964	1.4
175.07410	3.3
175.14891	0.8
177.05481	3.6
177.09201	2.5
179.07039	4.7
179.08479	0.9
181.05037	1.8
181.10181	1.2
182.10841	4.0
183.06598	6.4
183.08150	2.0
183.11676	7.5
185.09692	2.1
185.13280	0.9
186.06845	0.9
187.03957	1.1
187.07510	6.1
187.11179	5.2
187.14891	1.8
188.08397	1.8
189.05545	2.1
189.09058	0.8
191.07021	3.4
191.10747	1.1
192.09363	1.4
193.05089	1.2
193.08694	0.7
195.06564	3.5
195.08157	2.3
196.08856	1.1
197.09608	1.5
197.13214	10.1
197.14879	0.6
199.07565	1.0
199.11174	0.8
200.11931	0.8
201.05502	3.3
201.09079	35.4
201.12790	1.9
202.09758	0.8
203.06996	5.2
203.10699	0.9
203.14294	0.8
205.05072	0.9
205.08574	2.9
206.09422	0.9
207.06590	2.5
207.10039	1.2
207.11832	1.4
209.08113	1.9
210.10283	3.0
211.07603	2.7
211.11275	2.2
213.09056	6.6
214.09755	0.9
215.07138	5.0
215.10675	7.1
215.14252	6.5
217.08574	2.0
219.06522	5.5
219.09955	3.2
221.08133	1.7
224.11995	0.8
225.09274	1.3
225.12715	11.6
227.07205	1.0
227.10628	2.0
228.07866	1.5
228.11394	8.8
229.04935	2.0
229.08580	32.9
229.12126	18.5
230.08983	0.8
232.07224	1.0
233.08063	2.0
233.11777	2.5
238.09891	1.7
239.14194	1.4
241.08646	1.2
242.09390	1.9
243.10254	5.2
243.13777	62.0
244.14191	1.3
245.11763	0.7
246.08749	1.3
247.09665	6.9
253.12213	7.2
255.10074	1.2
256.10861	1.9
257.11752	3.1
257.15335	2.9
261.11203	2.7
267.13763	5.4
270.12415	1.0
271.13251	84.2
272.13589	2.5
275.12839	1.2
275.16382	1.0
285.14816	18.5
289.14297	31.5
290.14670	0.7
303.04962	14.3
303.15820	100.0
304.05280	0.7
304.16113	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01856	0.4
65.03927	0.5
67.01860	0.2
68.99775	1.6
69.23903	0.2
71.25879	0.2
71.26221	0.5
81.03413	0.5
93.03387	0.6
95.04951	0.7
96.66618	0.2
109.02872	0.8
111.00807	1.6
121.02826	2.1
123.04408	0.6
127.03895	0.4
128.06210	0.2
137.02333	6.4
137.03355	0.3
138.02663	0.2
145.06474	0.5
145.87965	0.2
149.02333	0.7
151.03873	0.2
153.01807	8.6
154.61411	0.2
155.04895	0.8
159.04422	0.2
161.05956	0.7
163.03900	1.2
165.01804	3.7
166.02501	0.4
173.06033	1.4
179.03389	0.5
183.02873	1.3
183.04417	0.9
185.05962	0.2
187.03893	1.0
191.03412	0.3
195.02902	0.3
201.05441	4.0
202.74176	0.2
205.04904	0.2
213.05450	0.4
217.05052	0.3
219.02890	0.3
219.06480	0.6
228.04189	0.6
229.04941	8.5
230.05356	0.3
239.03427	0.3
245.04445	0.5
247.06055	1.1
253.97983	0.2
257.04407	5.2
258.05118	0.2
273.03983	0.6
274.04697	1.4
275.05283	0.2
285.03928	2.2
286.04541	0.3
287.05405	0.3
288.06277	0.9
303.04968	100.0
304.05316	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.086
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
52.01868	0.4
53.03927	1.0
55.01859	3.4
55.05511	0.6
65.03941	1.0
67.05491	3.0
67.44409	0.4
68.99786	1.4
69.03423	1.3
70.06600	0.8
70.73590	1.4
71.04991	0.5
75.21547	0.4
77.03930	0.8
78.73212	0.4
79.05484	1.9
81.03403	1.6
81.07038	0.7
83.01300	0.8
83.04962	1.3
83.06090	1.1
83.08598	1.3
84.04494	2.7
85.02887	2.5
86.09689	1.0
88.17484	0.4
91.05474	3.4
93.03401	1.2
93.07053	0.6
95.04956	5.9
95.08608	0.7
97.02886	1.8
97.06511	0.6
105.03410	2.3
107.04951	1.8
109.02887	1.6
109.06544	0.7
111.04435	1.9
111.08112	0.6
115.05451	0.7
119.04928	8.1
119.08611	0.5
121.02848	1.4
121.06519	0.8
122.03592	0.6
123.04415	55.0
125.02306	0.5
127.03880	2.5
129.06606	0.8
129.10283	0.5
130.04976	1.9
133.06445	1.0
135.04417	4.5
137.02330	1.6
137.05945	2.9
137.47496	0.4
139.03885	17.4
139.07480	0.5
140.07062	0.6
141.05464	0.6
141.07239	0.5
143.04906	1.7
145.06470	0.5
147.04388	25.6
147.07597	0.7
149.05969	0.6
151.03883	100.0
152.04289	1.4
153.01758	0.4
153.05423	3.9
159.04533	0.5
161.05936	5.7
163.03899	6.7
165.05460	11.9
165.06853	0.7
167.07030	16.4
169.05023	0.6
169.06409	0.9
171.04453	0.5
173.05978	5.4
174.11256	0.6
175.03903	1.4
175.07515	0.7
177.05408	1.1
179.03343	1.0
179.07059	2.8
181.04956	7.4
182.08232	0.5
183.08168	1.0
187.07510	0.8
189.05469	1.5
193.04950	6.8
193.08496	0.6
197.05977	1.1
199.07498	0.5
201.05382	0.7
207.06512	4.8
211.07501	0.8
211.09471	0.5
215.07004	1.6
217.08575	2.6
221.05943	0.5
234.99075	0.6
239.07008	0.9
243.06453	0.6
257.04489	0.6
257.07974	1.3
261.07449	0.7
267.06519	1.0
285.07507	5.3
285.12207	0.7
303.05035	6.3
303.08545	58.7
304.09018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03943	0.6
55.01856	0.7
55.05499	2.0
59.33440	0.3
65.03916	0.5
66.34229	0.3
67.01859	1.3
67.05498	2.6
68.99780	1.6
69.03427	0.8
69.07061	2.9
69.72385	0.8
69.72809	1.9
71.04969	0.4
79.05472	1.2
79.82173	0.3
81.03416	0.7
81.07047	7.6
83.05008	0.5
83.08625	1.6
91.05451	1.3
93.03366	0.8
93.07012	2.5
95.04945	1.8
95.08588	3.7
97.06516	0.5
97.10158	1.0
98.20717	0.6
105.03389	0.4
105.07017	1.8
107.04937	7.2
107.08603	2.5
109.02859	0.9
109.06510	0.4
109.10139	6.1
111.00774	1.5
112.07578	1.0
115.05473	0.3
117.06985	0.7
119.04971	0.6
119.08553	1.8
121.02844	2.4
121.06482	1.0
121.10127	3.6
123.04397	1.9
123.08008	0.9
123.11678	1.6
127.03899	0.6
128.06282	0.4
131.04912	0.6
131.08524	1.1
133.06445	0.7
133.10089	1.1
135.04396	19.6
135.11667	1.6
137.02319	7.3
137.05948	3.3
137.09570	0.4
137.13193	0.4
139.03870	0.6
143.08542	0.8
145.06439	1.1
145.10092	1.7
147.04462	0.8
147.08066	0.7
147.11667	1.3
149.02289	1.0
149.05910	1.8
149.09564	0.5
151.03912	1.5
151.07495	0.6
153.01807	8.8
153.05443	4.7
155.04953	0.7
155.08542	0.6
157.06468	0.4
157.10118	0.6
158.07106	0.4
159.04434	0.5
159.08043	1.4
161.05971	3.7
161.09578	0.4
161.13332	0.4
163.03879	19.6
163.07533	1.0
163.74472	0.4
165.01857	3.3
165.06958	0.5
166.02612	0.5
171.07968	0.4
171.11604	0.4
173.05940	2.6
173.09601	0.9
175.07532	4.6
175.14767	0.5
177.05437	1.4
177.09132	0.8
179.03343	0.6
181.04942	8.9
183.02892	1.5
183.04297	0.8
183.08017	0.7
185.09607	0.4
187.03928	1.4
187.07500	2.4
189.05478	0.7
189.09045	1.0
191.03438	0.5
195.06563	0.5
201.05434	5.1
201.09088	5.2
202.05769	0.7
203.07018	0.8
205.04967	1.5
207.06485	1.5
211.14815	0.4
213.05499	0.5
215.07008	2.0
215.10640	1.1
219.06479	2.2
221.08090	2.8
228.04222	0.5
229.04956	9.3
229.08472	3.5
230.05275	0.7
233.08105	2.6
239.14417	0.5
243.10297	0.6
243.13562	0.6
247.06024	1.5
247.09566	2.2
257.04459	4.9
257.15341	12.4
258.15707	0.4
266.06818	0.4
274.04654	1.3
275.05258	0.4
285.03970	2.1
285.14822	7.5
285.17972	0.7
285.21918	0.6
303.04950	100.0
303.15894	8.3
303.23193	1.5
304.05261	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
65.03918	0.5
65.11813	0.1
65.57796	0.1
67.01842	0.3
67.05474	0.2
68.99777	1.9
69.03411	0.1
70.11160	0.2
70.11572	0.3
71.01353	0.1
74.42897	0.1
81.03406	0.7
91.05448	0.1
93.03402	0.8
95.04954	0.7
104.19733	0.1
105.03378	0.2
105.07027	0.2
107.04929	0.2
109.02856	1.1
110.03628	0.2
111.00789	2.1
111.04435	0.2
115.05457	0.2
117.06975	0.4
119.04903	0.1
121.02850	1.9
121.03725	0.1
123.04420	0.7
125.82491	0.1
126.03111	0.1
127.03912	0.5
128.06151	0.1
129.06981	0.2
131.04869	0.4
133.02835	0.2
133.06467	0.2
135.04422	0.4
137.02327	7.1
137.03374	0.3
137.05887	0.1
138.02737	0.1
143.04910	0.1
145.02824	0.2
145.06442	0.6
149.02333	0.9
153.01801	9.7
154.02145	0.2
155.04895	1.0
155.06073	0.1
157.06493	0.2
159.04369	0.2
161.05969	0.6
163.03882	1.3
165.01813	4.0
166.02570	0.5
171.02711	0.1
173.02394	0.1
173.05965	1.6
177.01857	0.2
177.05443	0.3
179.03319	0.4
183.02856	1.8
183.04405	1.0
187.03903	0.9
189.05467	0.1
191.03369	0.4
191.07022	0.2
194.02075	0.1
195.02805	0.4
200.04675	0.1
201.05446	4.5
202.05780	0.2
203.03470	0.1
205.04869	0.4
207.02873	0.2
211.02034	0.1
211.03802	0.4
213.05492	0.3
215.03328	0.2
219.02849	0.3
219.06496	0.6
228.04205	0.6
229.04930	9.6
230.05347	0.4
232.03606	0.2
233.04463	0.1
239.03439	0.5
245.04475	0.1
246.05318	0.2
247.05983	1.4
257.04410	5.3
258.04956	0.3
274.04712	1.4
275.05331	0.4
285.03922	2.5
286.04541	0.1
303.04944	100.0
304.05276	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.93083	0.1
53.03935	0.1
55.01855	0.2
65.03926	0.2
65.52867	0.1
67.01839	0.2
67.05476	0.1
68.99776	1.3
70.99009	0.2
74.09713	0.1
79.57490	0.1
81.03414	0.4
87.32894	0.1
93.03400	0.4
95.04928	0.5
95.09290	0.1
105.03329	0.1
105.07030	0.1
107.01274	0.1
107.04919	0.1
109.02849	0.6
111.00798	1.2
111.04443	0.1
115.05430	0.1
117.06970	0.2
119.05008	0.1
121.02848	1.4
122.31712	0.1
123.04440	0.4
127.03899	0.3
131.04852	0.2
133.06458	0.1
135.04378	0.3
137.02322	4.6
137.03398	0.2
139.05420	0.1
145.02824	0.1
145.06483	0.5
149.02315	0.7
153.01801	6.2
155.04878	0.5
157.06435	0.1
159.04404	0.1
161.05954	0.4
163.03896	0.9
165.01816	2.5
166.02583	0.3
173.05952	0.9
177.01833	0.1
177.05486	0.2
179.03389	0.2
183.02861	1.0
183.04399	0.5
187.03902	0.5
191.03374	0.3
191.06985	0.2
195.02895	0.3
201.05440	2.8
201.07320	0.1
205.04935	0.3
207.02869	0.1
211.03882	0.3
213.05527	0.2
215.03299	0.1
219.02910	0.2
219.06514	0.4
228.04198	0.4
229.04932	6.4
232.03748	0.1
233.04533	0.1
239.03348	0.3
245.04361	0.1
246.05243	0.2
247.05984	0.9
256.03543	0.1
257.04422	3.7
258.04892	0.1
274.04660	0.8
275.05353	0.4
285.03912	1.8
303.04938	100.0
304.05301	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
68.99796	0.4
70.26917	1.0
73.45306	0.2
98.20751	0.2
108.95273	0.3
111.00815	0.3
121.02850	0.4
131.19606	0.2
135.04451	0.4
137.02341	1.3
137.05975	0.5
145.06445	0.3
149.02370	0.3
151.03914	0.4
153.01790	1.8
157.30087	0.3
161.05927	0.6
163.03862	0.6
165.01831	0.8
173.05966	0.7
177.01816	0.4
183.02893	0.4
183.04356	0.4
187.03862	0.6
195.85872	0.2
201.05438	3.5
203.03348	1.3
205.04990	0.7
211.03847	0.5
215.03403	0.4
217.04907	0.5
219.06569	0.3
228.04164	0.9
229.04938	16.0
230.05263	0.8
231.02853	2.6
232.03546	0.3
233.04381	0.6
239.03415	0.9
243.02870	0.5
245.04420	1.8
246.05261	0.6
247.06041	0.7
256.03647	0.9
257.04425	20.8
258.04800	0.9
259.02393	2.1
260.03122	2.8
261.03839	0.3
273.03882	1.1
274.04675	5.1
275.05414	1.3
285.03912	18.1
286.04269	1.0
303.04956	100.0
304.05286	5.1
307.50394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22882	0.1
55.01855	0.3
55.25378	0.1
65.03920	0.5
67.01852	0.2
67.05476	0.2
68.99776	1.7
69.03404	0.1
70.10715	0.1
70.29772	0.1
70.86652	0.4
73.66058	0.1
78.71645	0.1
81.03401	0.5
81.06978	0.1
88.88602	0.1
91.05442	0.1
93.03407	0.6
95.04949	0.6
103.05440	0.1
107.01298	0.1
107.04952	0.1
109.02868	0.9
110.03648	0.1
111.00785	1.8
117.06996	0.4
119.04953	0.1
121.02848	1.7
123.04403	0.5
127.03884	0.5
129.06944	0.1
131.04921	0.3
133.06462	0.2
135.04398	0.4
137.02322	6.6
137.05840	0.2
138.02588	0.1
141.23817	0.1
145.02817	0.1
145.06468	0.6
149.02306	1.0
153.01804	8.6
154.02122	0.1
155.04887	1.1
159.04375	0.2
161.05962	0.5
163.03874	1.1
165.01814	3.8
166.02556	0.5
167.03380	0.1
173.02318	0.1
173.05920	1.0
176.49524	0.1
177.05533	0.3
179.03320	0.3
183.02870	1.2
183.04395	0.7
187.03868	0.7
191.03394	0.3
191.07001	0.3
195.02838	0.5
201.05432	3.8
205.04904	0.4
207.02914	0.2
211.03967	0.2
213.05444	0.2
215.03375	0.3
219.02869	0.3
219.06519	0.4
228.04173	0.4
229.04938	8.6
230.05312	0.3
232.03639	0.1
239.03368	0.4
245.04463	0.2
246.05362	0.2
247.06044	0.9
257.04428	4.9
258.04865	0.2
274.04758	1.3
275.05365	0.4
285.03854	2.0
286.04648	0.2
303.04950	100.0
304.05289	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01859	0.2
65.03918	0.4
67.01839	0.3
67.05501	0.2
68.99780	1.6
69.03422	0.1
71.11404	0.3
80.37013	0.1
81.03394	0.5
87.80806	0.1
91.37218	0.1
93.03389	0.7
95.04979	0.6
97.02874	0.1
105.03371	0.2
107.01338	0.1
107.04910	0.2
109.02851	0.7
111.00795	1.5
115.05433	0.1
117.06976	0.4
119.04905	0.1
121.02844	2.1
123.04430	0.6
127.03898	0.5
131.04875	0.3
135.04381	0.4
137.02318	6.9
137.03285	0.2
137.05934	0.1
138.20665	0.1
139.03897	0.1
145.02827	0.1
145.06471	0.6
145.07439	0.1
147.04611	0.1
149.02335	0.6
149.05913	0.1
153.01804	7.8
154.02113	0.2
155.04878	0.8
157.06415	0.2
157.62767	0.1
159.04388	0.2
161.05931	0.6
163.03900	1.0
165.01819	3.2
166.02554	0.4
173.05984	1.2
177.05437	0.2
179.03363	0.2
183.02861	1.4
183.04402	0.8
187.03906	0.7
191.03302	0.3
191.06924	0.2
195.02838	0.4
201.05435	3.7
202.05721	0.1
205.04936	0.4
207.02802	0.2
211.03801	0.2
213.05426	0.3
215.03326	0.1
219.02882	0.3
219.06425	0.5
228.04123	0.5
229.04921	8.0
230.05305	0.4
231.02734	0.1
232.03650	0.1
233.04343	0.1
239.03365	0.4
241.04944	0.1
245.04608	0.2
247.05948	1.2
257.04404	4.7
258.04788	0.2
274.04672	1.3
275.05353	0.3
285.03912	2.1
286.04413	0.2
303.04941	100.0
304.05286	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	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01851	0.7
57.03416	0.8
59.16077	0.3
61.02915	1.9
65.03936	0.4
69.03413	3.0
69.07050	0.4
70.06571	0.9
71.04966	0.5
71.44956	0.4
71.45295	0.6
72.08133	0.7
73.02895	1.1
79.05473	2.5
81.03384	1.3
81.07032	0.4
83.04974	0.4
85.02889	16.8
85.06570	0.4
87.04446	0.4
91.03932	1.2
91.05438	0.3
95.04937	0.5
97.02879	3.9
99.04448	0.7
105.03402	0.8
109.02879	1.5
113.05964	0.3
115.05497	0.6
121.02856	0.7
123.04411	6.8
125.18230	0.3
127.03890	4.1
130.04950	0.3
134.06000	0.5
137.02339	0.5
139.03882	0.7
140.07021	0.4
145.04936	8.9
147.04298	0.3
149.02423	0.3
149.05988	0.5
150.06313	0.3
151.03897	1.2
152.04193	0.3
152.06993	0.4
153.01810	1.3
159.06520	0.4
163.05977	1.9
165.01822	0.4
167.03339	0.9
173.05980	0.4
177.05443	0.8
178.05800	1.1
180.08635	1.0
181.04926	0.4
182.05286	0.4
182.08173	0.7
187.03879	2.0
189.05515	0.3
199.03807	0.3
200.04663	0.5
201.05431	1.4
203.03290	0.3
205.04907	0.8
206.05225	0.4
215.03397	1.1
217.04910	2.8
218.05707	0.5
221.73270	0.3
228.04147	2.9
229.04979	1.8
231.02908	0.5
232.03505	0.4
233.04427	5.0
243.02859	0.3
245.04413	4.0
246.05215	5.2
256.03650	4.1
257.04413	4.4
260.03098	2.2
273.03824	3.0
273.06384	0.4
274.04675	20.0
275.05417	1.7
279.04919	0.4
285.03912	1.9
285.12845	0.5
288.02545	0.4
302.03738	0.7
302.11774	1.5
303.04941	100.0
306.03842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.5
67.05497	1.0
68.04984	0.6
69.03422	1.0
69.07011	0.5
70.06584	33.1
71.06910	0.5
71.80710	1.2
79.64223	0.6
81.07031	0.5
83.04964	0.7
85.02911	0.7
91.05463	0.6
92.92309	0.5
95.04970	1.0
98.06071	0.5
98.70910	0.6
105.07021	0.6
109.02863	0.5
109.06510	0.6
111.00819	0.9
113.05958	0.5
114.05520	20.0
115.05450	1.9
116.07079	18.2
117.05759	2.1
117.06934	0.6
118.06520	0.8
121.02866	1.0
123.04448	1.1
123.08017	0.5
125.07112	4.3
127.03843	0.5
130.06517	16.7
132.08080	46.9
133.08395	1.5
137.02306	2.2
139.03842	1.1
142.06529	6.3
144.08076	15.9
152.07053	0.8
153.01843	1.8
155.05008	0.6
159.09160	100.0
160.07576	5.0
160.09496	1.9
164.06956	0.5
165.01753	1.1
170.05991	23.0
171.06358	0.8
171.07643	4.3
172.07555	4.3
187.03790	0.6
188.07016	1.1
201.05305	1.0
205.04884	0.6
215.03383	0.5
217.04947	0.9
228.04178	0.9
229.04968	1.6
233.04326	0.6
239.11827	1.1
243.11214	0.7
245.04469	1.3
246.05020	0.8
256.03638	1.4
257.04395	1.9
257.12833	3.0
263.95090	0.5
273.03885	0.8
274.04715	4.4
277.26416	0.5
285.12305	65.0
286.12634	1.7
302.03754	1.1
302.11502	0.6
302.14932	11.5
303.04977	40.9
303.08344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97600	0.1
54.98652	0.1
55.14486	0.1
55.66191	0.1
56.96561	1.4
58.96159	0.1
58.99846	0.1
60.95844	0.2
61.16208	0.1
69.95827	0.6
71.95250	0.2
73.35951	0.1
82.99455	0.2
82.99883	0.2
98.20667	0.1
98.97569	5.7
99.97897	0.5
100.97173	0.2
101.00863	0.5
101.97193	0.1
102.96853	0.9
103.97188	0.1
116.98607	7.9
117.98952	0.5
118.98201	0.3
118.99017	0.2
119.01905	5.0
119.98232	0.2
120.02023	0.4
120.97888	1.3
131.46117	0.1
134.99643	7.8
136.00027	0.5
136.99249	0.3
137.00134	0.2
137.02939	2.4
137.85738	0.1
138.02983	0.1
138.98933	1.1
140.00183	0.2
140.98801	0.1
142.03500	0.2
153.00710	1.8
157.00024	0.3
158.01262	0.4
158.99860	0.4
165.99635	0.2
173.01208	0.2
177.00934	10.9
178.01050	1.7
179.00766	0.4
181.03389	0.2
182.99791	0.5
190.95418	0.3
193.04100	0.3
194.98459	0.1
195.01999	0.3
199.04465	0.4
200.02562	0.3
201.00851	0.8
201.02441	0.1
203.00688	0.1
208.96429	0.2
216.98836	0.1
217.04060	2.4
217.06058	0.2
218.03976	0.5
219.01981	19.4
220.02110	3.2
221.01743	1.0
223.99982	0.1
225.00810	2.3
226.01183	0.4
227.00693	0.1
227.99728	0.2
232.96356	0.2
234.99831	0.3
236.99562	0.3
237.02953	0.1
242.03627	0.5
243.01935	6.1
243.98701	0.1
243.99623	0.1
244.02060	0.8
250.97556	0.2
256.96701	0.1
260.04639	0.4
261.03021	100.0
262.00003	1.2
262.03143	16.3
262.99194	0.6
263.02884	2.2
266.03326	0.5
274.97418	0.2
275.04507	0.3
277.00806	0.3
278.00922	0.3
278.12448	0.2
278.97052	0.5
279.00552	5.0
279.98047	2.1
280.00937	2.4
280.05988	0.1
280.97455	0.2
281.00165	1.6
283.00049	0.2
284.01492	0.2
284.04617	5.2
284.99829	1.3
285.04736	1.2
286.00247	0.2
292.98428	0.1
296.97766	0.2
297.98743	0.6
298.06848	0.1
298.97937	0.2
301.01007	0.2
302.01962	0.4
302.97104	0.4
303.00772	2.2
303.04468	2.6
304.00961	0.3
304.05063	0.4
307.05923	0.1
320.98157	0.6
321.01645	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	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78386	1.0
53.03944	1.1
55.01864	1.8
55.98412	1.0
57.03429	3.7
61.02912	4.1
65.03922	1.4
67.05496	19.7
69.03420	16.1
69.07059	65.6
70.02945	2.3
70.07381	1.8
71.04985	1.3
71.12130	2.6
73.02905	2.3
73.43098	1.1
81.03402	6.3
85.02896	54.7
86.02412	1.4
91.03934	1.3
94.06555	1.2
95.04493	0.6
95.04955	30.0
97.02884	31.4
99.04474	3.0
103.03928	3.0
109.02871	8.7
112.07587	23.5
113.06012	2.8
122.06035	4.7
124.07610	1.9
126.42572	1.0
127.03905	10.4
128.09946	0.9
136.07603	2.3
140.07048	100.0
141.05492	3.4
141.07411	2.6
142.72227	0.9
145.04939	6.9
147.28011	0.9
151.01614	0.9
154.08662	3.3
155.09067	1.1
164.07040	1.2
178.08597	1.4
181.98225	1.0
182.08118	46.1
182.87358	1.0
183.08461	1.4
206.08118	10.6
218.08215	1.5
236.09076	1.6
248.09146	6.3
284.11288	2.5
302.12131	3.4
303.04968	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	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
54.43518	1.1
55.01859	3.2
55.05500	1.8
57.03417	4.5
61.02911	5.7
65.03923	1.3
67.05492	8.3
69.03422	12.0
69.07052	1.4
70.06573	2.4
71.04992	1.6
71.34165	1.4
72.08139	12.0
73.02892	3.1
79.05484	4.2
81.03398	7.2
81.07037	7.1
83.04909	1.2
84.04516	1.4
85.02892	85.5
86.09683	6.2
91.05473	2.0
93.05768	2.4
94.06533	3.4
95.04938	7.5
96.04485	1.8
97.02877	40.7
97.06520	1.7
99.04448	3.6
103.03937	7.5
108.08105	12.7
109.02869	12.5
109.06499	2.1
110.06033	1.5
111.04372	1.5
122.05994	6.7
122.09651	1.2
123.04403	2.2
125.05968	8.5
126.05472	8.2
126.09121	4.7
127.03899	19.8
130.06505	7.8
132.10213	1.8
136.07567	23.0
137.02330	2.7
139.03874	2.6
140.04213	2.0
140.07042	49.2
143.11751	6.8
145.04961	13.5
147.04460	2.0
150.09129	4.2
151.03976	1.7
152.07047	21.1
153.01793	4.8
154.08603	8.9
157.04916	2.0
158.05354	2.1
163.06006	3.0
164.07054	24.2
171.11298	5.9
178.08597	20.4
182.08107	100.0
183.08412	3.9
201.05426	1.8
203.13962	2.2
206.08093	41.8
218.08069	3.4
229.04890	3.3
229.72885	1.4
236.09174	6.1
248.09163	11.6
257.04456	2.7
274.04623	1.6
285.03922	2.0
302.11115	5.9
303.04959	49.7
303.08194	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03415	4.6
61.02912	3.6
61.15826	0.9
65.03941	1.7
67.05500	26.2
69.03052	1.2
69.03421	17.0
69.07061	67.2
71.04984	1.4
71.06639	2.3
71.06980	1.0
73.02917	2.5
81.03413	5.6
81.07061	1.3
84.04501	3.4
85.02895	55.7
85.04842	1.8
86.09678	0.9
87.04457	1.9
91.03910	1.0
93.07016	1.0
94.06577	2.1
95.04958	34.4
97.02879	39.3
99.04450	1.8
101.42199	0.9
103.03921	4.6
109.02874	10.4
112.07594	28.4
113.05982	2.3
122.05994	5.7
123.04401	2.9
124.07567	1.8
127.03874	10.9
134.05954	1.3
136.07544	1.9
137.05974	1.6
138.06342	2.2
138.21758	1.0
140.07047	100.0
141.05440	3.0
141.07390	2.8
145.04955	6.2
151.03889	4.0
152.07098	2.2
154.08644	4.0
164.07166	1.3
178.08600	2.6
182.08109	50.0
206.08101	13.4
218.08167	2.6
236.09230	2.8
248.09174	8.2
266.10028	1.1
284.11261	1.5
285.03979	1.4
302.12189	4.5
303.04962	7.9
303.08331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1795
Annotation	Mutisicoumaranone A
Peak:m/z	Relative Intensity
53.03926	1.6
53.39855	0.7
55.05505	5.0
57.07061	1.5
67.01843	1.5
67.05492	11.1
69.07053	2.9
71.79164	0.8
71.79568	1.0
76.01555	0.8
79.05479	6.8
81.07044	29.3
83.04958	2.0
83.08593	1.1
91.05457	7.3
93.07034	18.1
95.04943	2.3
95.08592	19.6
105.07005	12.1
105.07664	1.3
107.08578	16.2
107.75952	0.9
109.06483	2.5
109.10130	13.9
111.04388	1.3
111.08070	1.5
117.07000	2.0
117.20119	0.9
119.04932	0.9
119.08561	9.5
121.06481	3.3
121.10105	9.3
123.08048	2.2
123.11690	22.1
129.06982	1.0
131.08548	1.3
133.06468	0.9
133.10089	3.1
135.08009	5.4
135.11662	24.6
137.05977	7.7
139.07486	4.9
141.17635	0.7
143.08592	0.9
145.06384	1.0
145.10094	2.2
147.08055	1.9
147.11661	15.5
149.05960	7.0
149.09525	0.7
151.07507	11.9
153.05470	1.8
156.09406	0.8
157.10062	1.6
159.08116	1.0
159.11632	1.0
161.05931	2.7
161.09669	1.2
161.13229	0.7
163.07518	3.3
163.11125	1.3
165.05453	9.6
165.09082	4.2
167.07014	100.0
168.07314	1.3
171.11591	1.3
173.09528	1.2
175.07512	4.3
175.11151	1.5
177.09134	2.2
179.07022	3.1
179.10663	1.1
181.08522	9.0
185.09543	1.2
187.07471	1.7
187.11205	1.0
189.09099	4.5
191.06992	11.8
191.10583	0.9
193.08582	4.8
195.10179	1.0
196.64552	1.0
197.13162	1.4
199.11296	1.1
201.09026	2.1
203.10695	3.4
205.08565	14.0
207.10100	10.1
213.09103	1.3
213.12653	1.8
215.10617	1.9
217.08545	3.0
217.12155	2.7
218.09383	1.5
219.10097	5.8
221.11729	2.2
227.10600	3.0
229.12595	0.8
231.10135	10.6
232.10757	1.2
233.11717	1.3
237.16328	1.5
239.10690	0.9
241.12192	2.9
243.10072	0.9
243.13919	1.0
245.11638	7.5
254.12917	1.0
255.13701	1.7
255.17343	2.3
257.11819	1.3
259.13232	2.5
265.15814	1.7
268.14404	1.3
273.18314	1.6
279.91922	0.8
283.13651	1.7
283.16861	12.0
301.14423	5.3
301.17920	66.2
301.21298	2.7
302.18289	2.8
320.30576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64406	1.5
53.03927	2.5
55.01611	2.3
55.01860	30.4
55.05246	2.1
55.05500	38.2
57.03427	58.5
57.07033	1.7
57.43142	1.5
61.02908	2.6
65.99088	1.7
67.05490	31.4
67.05840	2.5
68.99760	4.0
69.03421	9.6
69.07053	9.9
70.04204	1.7
71.04985	3.7
71.18549	2.2
71.18884	3.2
73.02901	14.9
79.05476	28.8
81.03396	6.2
81.07046	23.5
82.04186	8.7
82.06546	2.5
83.04971	22.2
83.05446	2.9
83.08608	13.5
84.02090	1.8
85.02882	3.6
85.06513	2.8
91.05457	16.7
93.07024	18.9
95.04960	17.1
95.08582	9.5
96.09003	1.6
97.02869	4.7
97.06532	11.9
97.07078	2.4
97.10150	20.4
98.07289	10.8
99.08116	2.1
100.11228	7.8
101.05972	4.8
105.07001	13.5
107.04939	6.1
107.08557	15.2
109.06494	3.8
109.10110	5.2
110.05992	2.3
111.04440	5.9
111.08055	5.8
112.04774	2.2
113.05962	3.4
115.05463	2.6
116.04694	44.0
117.06994	7.0
119.08533	6.4
121.06483	5.1
121.10117	5.8
123.08037	6.5
125.05962	2.1
125.09611	22.9
129.05457	100.0
129.06926	3.4
130.05803	1.8
131.08545	6.0
133.10104	8.9
135.07982	4.6
135.11655	4.9
137.02382	2.0
137.09598	3.8
139.03874	2.9
141.11424	4.8
141.61612	2.0
142.07745	2.5
143.07019	20.6
145.10088	3.9
147.11679	8.6
149.09610	2.5
153.07013	2.3
153.09097	4.7
155.06920	1.8
157.08603	41.1
157.10030	6.4
161.05925	3.3
162.66949	1.6
163.11159	5.0
165.06868	1.6
171.10086	14.2
175.11130	5.8
182.15318	3.0
183.15686	1.9
185.11656	4.1
189.05469	3.9
189.11191	27.4
191.03336	4.1
192.43573	1.8
193.12202	5.3
199.13268	10.2
199.17989	2.4
200.14079	13.3
203.10715	2.7
205.16576	2.3
210.12537	3.4
210.14830	4.0
211.15181	2.2
217.04933	13.2
218.66158	2.2
219.16356	11.9
227.03391	2.3
227.12729	23.5
228.13220	2.6
245.04402	12.2
246.04770	2.4
251.09204	2.8
255.15836	2.6
273.03943	11.0
282.69577	5.6
301.03427	34.2
301.06985	5.5
301.10910	20.0
301.16409	81.2
302.03802	2.8
302.16714	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	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	35.2
55.05507	33.5
56.53817	1.9
57.03165	4.0
57.03432	56.1
57.46899	1.9
59.05000	2.6
61.02936	2.1
67.05495	28.1
69.03413	5.9
69.07076	11.4
71.81708	2.5
73.02907	18.0
79.05491	28.0
80.06248	2.4
81.03411	6.6
81.07049	25.0
82.04201	6.8
83.04977	18.7
83.08623	13.3
84.05740	2.1
85.02874	2.6
91.05473	15.7
93.07046	22.3
95.04951	12.4
95.08604	11.1
97.02888	4.9
97.06526	10.9
97.10166	23.8
98.07301	10.8
98.20906	2.2
101.06001	5.9
105.07011	13.8
107.04953	5.3
107.08589	13.0
109.06497	3.6
109.10137	6.6
111.08051	5.6
116.04702	43.0
117.07082	4.6
119.08556	10.7
120.09393	3.3
121.06486	4.2
121.10148	6.3
123.08078	7.9
125.09621	22.1
129.05467	100.0
129.06931	4.1
131.08549	7.0
133.10147	11.0
135.08046	6.2
135.11667	4.4
136.08829	2.1
137.09590	2.3
143.07031	21.3
145.10098	3.1
147.11691	9.8
149.09660	2.4
157.08595	41.2
157.09981	4.3
163.11179	3.2
164.11955	2.7
165.05431	3.4
171.10178	14.5
175.11168	4.8
179.03380	8.4
185.11700	4.8
189.11203	34.0
193.04918	2.6
193.12242	5.9
197.04324	4.1
199.13248	9.8
200.14064	14.5
219.06627	2.3
219.39754	2.3
227.12737	17.0
231.10028	3.1
240.11166	2.6
255.13782	4.9
259.09647	2.1
267.10141	6.7
268.10791	4.9
279.59140	2.0
283.13239	45.9
283.16171	3.8
301.14099	45.1
301.16544	66.0
301.21945	4.0
302.17044	3.3
309.83401	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	301.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01860	1.0
55.05500	2.0
57.03432	1.2
57.07062	2.5
65.03931	1.1
67.05492	13.2
69.03420	57.4
69.07059	1.4
69.88613	3.8
69.89026	0.8
70.03757	0.8
70.23390	0.6
71.01350	6.7
71.04984	15.5
79.05476	3.0
81.03407	2.3
81.07046	1.5
82.61273	0.5
83.04969	56.4
84.05301	0.9
84.08137	0.6
85.02895	1.8
85.06046	0.8
85.06534	12.0
86.09718	0.5
91.05458	1.1
93.07040	2.0
95.04953	23.7
96.05321	0.8
96.37030	0.5
97.02892	2.4
97.06532	2.7
98.21575	0.5
99.04445	3.8
105.07023	1.2
107.04942	0.6
107.08586	0.9
111.08029	0.8
113.05991	91.8
114.06323	1.3
115.03915	12.4
119.08576	0.8
121.06525	1.2
121.10131	1.2
123.04452	3.5
123.05248	0.8
124.07587	0.7
125.05956	1.1
127.03898	13.4
131.08557	0.6
139.03900	0.7
141.05446	23.9
141.09076	0.5
145.10143	1.4
149.05946	1.2
149.09563	1.0
151.03928	0.7
157.10019	0.6
159.06509	100.0
160.06831	2.2
163.11128	0.7
167.06975	0.6
175.62752	0.6
177.05516	0.7
177.09090	2.4
181.06473	0.8
191.10786	1.3
209.11617	0.6
219.10132	1.8
237.11177	4.1
255.06422	1.2
255.12218	4.8
273.03702	0.8
283.11533	1.2
301.06915	3.3
301.10764	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	301.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05503	1.3
57.03420	0.8
57.07067	1.9
57.52103	0.6
67.05497	13.6
69.03424	59.1
69.07064	1.5
70.06629	0.7
70.36300	2.2
71.01351	7.0
71.04986	14.6
79.05479	3.1
80.99801	0.5
81.03406	1.2
81.07041	1.3
83.04972	57.1
83.81030	0.6
84.05293	0.6
85.02894	2.3
85.06533	10.5
86.09696	0.6
91.05488	1.3
91.44506	0.5
93.07043	0.9
95.04958	22.3
95.08605	0.9
97.02869	1.9
97.06520	2.9
99.04444	5.3
105.07025	1.3
107.04942	1.4
111.08069	1.6
113.05996	87.1
114.06339	1.8
115.03927	12.1
119.08550	0.9
121.06503	1.2
121.10151	1.5
123.04408	2.4
125.05942	1.1
127.03904	13.6
131.08553	0.9
133.06522	0.7
135.04443	0.8
137.05913	0.8
139.03818	0.9
141.05452	24.2
145.04935	0.8
145.10100	1.2
149.06023	0.8
149.09607	1.0
159.06512	100.0
160.06874	2.8
163.03938	0.8
163.11143	0.9
167.07043	0.7
168.08136	0.5
173.09587	0.8
177.05461	0.7
177.09154	3.0
181.06497	1.0
191.10597	0.9
209.11649	0.9
212.53613	0.6
219.10112	1.2
237.11270	2.9
247.09547	0.6
255.12248	4.7
260.71686	0.7
264.23935	0.8
273.03967	1.0
283.11783	1.0
301.03308	1.5
301.06970	3.5
301.10553	2.0
302.07162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33224	0.5
53.03936	1.2
54.05242	0.5
55.01856	1.5
57.03427	3.9
57.07053	0.7
58.76839	0.5
65.03934	0.8
67.05478	1.3
69.03406	1.2
70.06560	1.0
71.08601	0.7
71.47979	1.2
75.04449	1.8
77.20951	0.6
78.04684	1.0
79.05473	3.0
81.03409	1.2
81.07040	2.4
84.04482	3.9
84.08109	0.9
85.02872	1.8
86.09695	0.5
89.03893	1.3
91.05005	0.7
91.05479	7.9
93.07028	4.6
95.04967	3.7
95.08586	1.0
103.05455	8.2
105.03383	0.8
105.07007	1.1
106.04136	2.1
107.04935	5.0
109.06492	2.1
111.04436	1.0
116.07030	0.7
117.03358	1.9
119.04906	2.2
121.06493	14.8
122.03609	0.9
123.04408	6.5
124.05170	2.6
127.03854	0.8
129.08569	0.6
130.04953	4.0
131.04910	8.2
133.02791	2.3
134.03609	1.5
134.05940	1.0
135.04381	2.5
136.07495	0.7
137.05945	11.6
139.03899	3.9
139.08585	0.9
140.04668	2.9
140.06993	1.0
145.02811	2.2
147.04379	3.0
147.07619	0.8
148.05179	2.4
149.05959	19.4
151.03860	2.6
152.04659	1.9
152.07048	2.1
153.05453	3.9
155.06990	2.4
159.04384	5.3
162.06955	0.7
163.03874	3.7
163.07533	1.1
164.07004	1.3
165.05490	5.5
166.06215	2.1
167.07013	100.0
167.28023	0.7
168.07373	3.4
176.04668	1.7
177.05440	45.1
178.05893	1.9
179.06972	1.8
180.07832	0.8
181.08539	1.0
182.05714	5.7
183.06505	1.4
186.18399	0.6
191.07034	2.1
194.05687	1.4
195.06503	1.2
197.07979	0.7
207.06490	1.1
209.08057	25.6
210.08421	1.5
212.06697	1.3
218.58180	0.6
220.48886	0.6
225.07484	3.2
226.17896	0.6
227.06891	1.2
227.09105	20.6
228.09489	1.3
238.10818	0.8
253.10670	2.7
265.10751	0.7
273.08911	0.9
283.06122	1.0
301.03284	1.2
301.06693	1.4
301.12848	3.9
301.17490	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91652	0.5
53.03925	0.5
55.01867	0.7
55.05501	0.4
67.05496	0.8
69.03403	0.9
69.07058	0.5
70.06565	1.2
70.21079	1.9
71.08619	0.5
72.08129	0.9
73.02908	0.7
79.05453	0.5
81.03440	0.6
81.07034	1.4
82.56267	0.4
84.04499	3.4
84.08143	2.6
85.02890	3.8
85.08452	0.6
86.09686	1.0
87.04418	0.6
91.05437	1.0
93.07011	1.0
95.04966	3.2
95.08577	1.4
97.02872	1.2
105.07008	0.5
107.04947	0.5
109.06482	0.5
112.07572	0.6
114.23852	0.4
119.08581	0.5
121.02824	2.7
121.07581	1.4
122.06009	0.6
127.03911	0.8
129.10231	2.3
130.04968	3.2
130.08615	1.1
130.10570	0.8
131.05284	0.9
131.08598	0.7
134.05977	0.9
135.04370	1.0
137.05966	1.4
138.05476	0.6
139.03889	10.4
139.08597	3.8
139.09477	0.5
140.07018	1.1
145.04927	1.1
147.04346	0.8
151.03885	1.1
152.07037	1.7
163.03862	1.8
164.07031	0.8
167.06987	0.9
177.05400	0.9
178.13670	0.5
221.05060	1.0
239.23561	0.8
273.09109	1.0
301.06943	2.9
301.12518	100.0
302.12891	5.2
319.01511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	artocarpetin
Peak:m/z	Relative Intensity
55.01841	1.9
55.16123	0.4
59.18578	0.5
63.32783	0.4
67.05474	1.2
67.17653	0.4
68.99787	2.4
69.03399	1.6
71.23834	1.3
71.45943	0.5
79.05485	4.0
80.23769	0.4
81.03383	1.3
81.07029	1.0
85.02865	0.5
89.03901	0.5
91.02701	0.4
91.05460	1.1
93.03368	1.1
93.07010	0.7
93.49245	0.4
95.04941	1.5
95.08634	0.5
97.02859	1.8
100.72626	0.5
103.05434	0.6
105.06995	0.6
107.04935	3.6
108.23874	0.5
115.05416	0.5
119.04874	0.8
119.08618	0.5
121.02799	0.5
123.04389	0.4
125.02345	0.4
127.03938	0.5
131.04897	1.2
131.08650	0.4
131.47308	0.4
133.10107	0.6
135.04393	8.9
137.02328	18.4
137.03366	1.0
139.03888	1.1
141.01770	0.4
145.02798	1.1
147.04335	0.7
149.05896	0.7
151.03786	0.7
153.06912	0.5
157.06433	1.1
161.05910	0.6
163.03891	18.4
163.95795	0.4
164.04237	0.7
165.01814	1.5
165.05475	10.8
165.06859	0.4
165.44957	0.4
171.04463	0.8
173.05995	0.4
177.05501	0.5
181.06439	0.8
181.56906	0.4
183.02846	1.5
185.05940	1.0
186.37779	0.4
186.52463	0.4
187.03847	2.5
189.05473	1.2
191.03368	77.2
192.03680	2.6
197.05939	0.7
198.06705	0.5
199.03978	0.7
201.05435	0.7
203.07072	0.8
205.08554	1.0
212.04668	0.7
213.05406	3.2
213.09105	0.5
217.04958	4.2
225.05489	2.5
226.06206	3.1
227.06996	2.7
229.04919	4.4
230.05647	2.8
239.07071	0.5
240.04051	2.2
241.04964	1.8
241.08585	0.7
242.05678	1.2
243.06528	0.8
244.07297	1.8
245.04472	1.5
254.05736	6.3
255.06491	19.8
256.06900	1.1
257.04471	1.9
258.05225	10.2
259.05981	13.1
260.06259	0.6
267.06680	0.7
268.03671	7.6
268.06750	0.7
269.04138	0.9
272.06818	2.6
273.04245	2.1
273.07407	2.7
283.05988	12.2
283.09604	5.5
286.04785	0.9
301.07056	100.0
301.10574	12.9
302.04099	0.8
302.07370	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	301.0703
Annotation	artocarpetin
Peak:m/z	Relative Intensity
50.30100	0.3
53.03925	0.8
54.47462	0.3
55.01866	3.0
55.05487	0.5
57.03418	0.5
59.91833	0.3
63.40630	0.3
63.75992	0.3
65.03951	0.5
67.05482	2.0
68.99789	3.1
69.03414	2.0
69.07053	0.4
71.04969	0.7
71.81819	0.4
79.05482	4.6
81.03406	0.8
81.07033	1.5
83.04974	0.4
83.08651	0.4
84.08121	0.4
89.03907	1.2
91.01804	0.3
91.05457	2.1
93.03397	1.8
93.07037	0.8
95.04949	2.5
95.08569	1.0
103.05441	0.6
105.03390	0.6
105.06987	0.9
107.01273	0.5
107.04942	5.5
107.08570	0.9
109.02850	0.9
109.10156	0.7
111.04409	0.7
115.05419	0.4
117.03342	0.7
117.07024	0.4
119.04879	1.0
119.08576	0.5
121.02834	0.9
121.06495	0.4
121.10118	0.6
123.04387	1.0
127.03887	0.7
128.06201	0.6
129.05496	0.3
129.06963	0.5
131.04887	1.3
131.08553	0.4
133.10092	0.6
135.04399	12.2
137.02324	28.5
137.05894	0.7
137.09630	0.4
138.02678	0.6
139.03867	0.6
139.05460	0.4
141.01787	0.7
141.05443	0.6
141.07021	0.4
145.02798	1.8
145.06490	0.6
145.10097	0.5
147.04401	0.6
149.05975	1.2
151.03868	0.7
153.05515	0.4
153.06998	0.8
157.06458	0.8
159.04390	0.9
159.11710	0.4
161.05920	1.4
163.03880	23.4
164.04134	0.4
165.01836	1.8
165.05464	13.5
165.06961	0.8
169.06441	0.4
171.04395	1.8
173.05963	0.6
173.13194	0.4
177.05434	0.7
179.03247	0.4
181.04938	0.6
181.06451	1.5
183.02885	2.8
185.05956	1.8
187.03923	3.3
189.05449	1.4
191.03363	100.0
192.03694	2.7
195.04280	0.5
197.06003	0.4
198.06728	0.9
199.03844	1.2
199.07549	0.4
201.05563	0.4
203.07059	0.7
205.05074	0.4
211.07495	0.7
213.05444	3.8
213.08957	0.8
214.05882	0.4
217.04913	5.7
218.05470	0.5
225.05373	0.4
226.06207	0.8
227.03362	10.4
227.06868	0.6
228.03909	0.6
229.04941	0.8
230.47705	0.4
239.17755	0.3
241.04941	3.2
241.08566	0.8
242.05649	1.2
245.04436	2.9
255.02721	0.5
255.06505	1.4
255.10205	0.5
258.05267	0.4
259.06000	16.8
260.06323	0.9
268.03510	0.5
269.08002	0.4
273.03937	5.1
274.04565	0.8
283.02441	0.6
283.05893	1.4
283.09570	0.7
286.04639	0.9
301.03397	10.2
301.07028	37.3
301.10620	6.7
301.14426	1.3
301.21524	0.9
302.03867	1.3
302.07388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	3'-Hydroxymelanettin
Peak:m/z	Relative Intensity
53.48984	0.3
55.01854	0.4
55.05490	1.0
57.03413	0.8
57.07058	0.4
59.04974	0.3
67.05479	1.1
68.99797	0.4
69.03419	0.3
69.07052	0.9
79.05471	1.1
81.07050	1.5
83.04967	0.7
83.08607	0.3
91.05451	1.1
93.07017	0.9
95.08587	0.9
97.02879	0.3
97.06502	0.3
97.10141	0.7
103.73319	0.3
104.13487	0.3
104.56557	0.3
105.03396	0.4
105.07000	0.9
107.08573	0.7
109.02886	0.3
109.10127	0.5
111.04443	0.3
116.04726	0.3
117.06995	0.4
119.08543	0.9
121.06464	0.3
121.10139	0.7
123.04440	0.3
125.09621	0.6
129.05460	0.7
129.06979	0.4
130.55917	0.3
131.08534	0.5
133.06458	0.4
133.10100	0.7
135.04414	0.4
143.08562	0.5
145.10159	0.5
153.01810	0.5
157.10165	0.3
161.05887	0.3
161.09560	0.4
163.11206	0.5
167.03349	0.4
173.09648	2.6
173.13263	0.5
177.05408	0.5
179.03415	0.4
189.05473	0.5
191.03397	0.4
197.05856	0.4
205.04948	0.3
212.04691	1.1
213.05423	2.8
214.06195	1.8
215.03291	0.7
217.04897	2.0
223.15126	0.3
226.06296	0.7
227.03383	0.4
227.07018	1.3
229.04915	3.4
230.05713	4.3
231.06412	0.4
240.04100	1.5
241.04942	4.1
241.12157	0.6
242.05734	3.8
243.06503	6.7
244.03577	1.1
245.04367	1.8
254.05678	0.9
255.06496	2.8
257.04395	6.3
257.07141	0.4
257.08282	0.5
258.05209	7.5
259.05829	0.8
268.03659	7.5
269.04346	2.4
269.11697	0.4
271.06012	9.9
272.06732	2.2
273.04004	1.6
273.07541	10.4
274.04681	0.4
283.05975	8.1
283.08957	0.3
283.12976	0.5
286.04306	0.4
301.07028	100.0
302.03922	0.4
302.07352	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01850	0.2
55.05516	0.5
57.03436	0.4
67.05515	0.4
69.03406	0.2
69.07063	0.2
70.58191	0.2
71.09798	0.5
79.05503	0.4
81.07064	0.7
91.05494	0.5
93.07059	0.5
95.08617	0.4
96.70557	0.2
97.10185	0.2
105.03403	0.5
105.07058	0.4
107.08611	0.4
109.10149	0.3
116.04664	0.2
119.08598	0.5
121.06501	0.2
121.10141	0.3
122.82014	0.2
125.09602	0.2
129.05487	0.6
131.08597	0.2
133.10097	0.2
137.06049	0.2
139.03874	0.2
145.10091	0.4
149.05934	0.2
153.01810	1.1
157.08578	0.3
159.11726	0.2
173.09555	0.3
173.13293	0.2
181.06412	0.2
189.05403	0.2
201.16383	0.2
213.09077	0.2
214.65489	0.2
217.04948	0.6
227.12827	0.3
229.04883	1.4
230.05655	0.2
245.04480	1.5
257.04395	0.6
258.05203	36.6
259.05582	1.8
273.03955	1.0
273.06500	0.2
283.09506	0.2
286.04672	50.3
287.05017	3.0
301.03494	7.0
301.06989	100.0
302.03757	0.5
302.07312	6.4
302.10791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2892
Annotation	3-ketosphinganine
Peak:m/z	Relative Intensity
52.78506	0.4
53.03930	0.5
55.01856	0.7
55.05507	6.4
55.89709	0.4
56.05031	10.8
56.05302	0.7
57.03425	0.9
57.07068	10.6
58.02945	0.6
58.06572	0.9
60.04518	11.6
67.05495	6.1
68.05008	0.5
69.03405	0.7
69.06707	0.5
69.07062	9.1
70.06579	3.5
71.04990	0.9
71.08620	5.6
72.04504	1.7
79.05478	2.2
81.07051	7.0
82.06544	0.7
83.04960	2.5
83.08612	4.6
85.06547	0.4
85.10167	2.5
86.06044	4.6
87.04412	0.3
91.05464	1.6
93.07051	3.0
95.04954	0.6
95.08594	8.0
95.40599	0.4
96.08102	0.4
97.06518	0.9
97.10152	2.7
99.06857	0.4
105.07009	2.4
107.08595	2.5
109.10134	3.7
109.90622	0.4
111.11716	0.4
119.08576	1.6
121.10128	2.0
123.11716	1.9
125.09600	0.5
133.08565	0.4
133.10150	0.7
135.11678	2.4
137.05936	0.4
137.61832	0.4
142.07671	0.4
145.10120	0.9
147.11694	0.8
149.13319	0.4
157.10071	0.6
165.06836	0.4
173.09593	0.9
175.11191	4.6
177.05476	0.4
179.03378	1.7
179.10651	3.6
193.04913	0.4
197.04385	1.8
208.49571	0.3
211.27815	0.4
212.66148	0.3
223.94283	0.4
229.92406	0.3
231.10121	0.7
238.00587	0.4
238.24951	0.4
240.26761	1.2
244.10532	0.4
252.26880	0.9
254.28412	7.5
264.26843	2.5
265.25110	0.6
270.27887	22.0
271.28241	1.1
273.03925	0.7
279.61194	0.7
281.08295	1.0
282.27899	18.5
283.13293	1.3
283.28427	0.7
299.09329	0.7
299.16376	0.4
300.12964	1.0
300.16815	2.0
300.28937	100.0
301.03293	1.7
301.14352	7.9
301.17847	1.4
301.21341	2.8
301.29263	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	300.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
56.96546	2.9
57.03412	1.6
59.04992	50.9
59.51788	0.6
61.02905	1.8
65.03928	0.6
68.90118	0.5
69.03417	2.6
69.77869	4.7
70.06586	2.1
73.02911	0.9
79.05461	1.1
84.04479	1.3
84.08130	1.7
85.02400	1.0
85.02892	11.5
86.09687	0.9
87.26646	0.5
89.03912	0.9
89.05456	1.2
89.06017	23.6
91.05470	1.8
94.06493	0.8
95.04947	1.0
97.02906	3.0
97.36476	0.6
98.97584	1.0
99.04471	1.0
100.07493	0.5
101.06025	1.0
103.07565	15.9
107.07053	0.7
109.02904	0.8
110.06025	0.9
116.98560	0.9
119.04942	2.7
120.08073	0.9
121.08600	100.0
122.08950	1.1
123.04414	1.3
127.03888	2.6
129.10251	1.4
130.04991	1.5
131.04907	1.2
132.08092	0.7
133.02873	0.7
135.04393	1.6
136.06180	2.3
137.05899	1.0
138.05484	46.9
138.09077	3.7
139.03880	1.7
139.05782	1.4
140.06821	0.5
143.00148	0.9
145.04944	1.6
147.04376	5.2
149.05969	1.4
155.04547	0.6
161.01219	1.1
163.03880	7.2
164.04155	0.6
165.05518	0.6
167.07018	8.0
169.10120	0.6
172.95078	0.6
177.04156	0.6
177.05447	3.4
209.08080	2.4
210.06329	0.7
212.02324	0.6
221.62022	0.5
225.07558	0.6
227.09167	1.7
237.02785	0.8
267.03909	0.8
291.03772	1.0
300.05942	0.8
300.10931	0.8
300.14383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01855	5.8
55.05508	19.1
55.83524	2.1
57.03421	9.0
57.07064	5.6
67.05495	47.0
69.03413	3.4
69.07069	16.0
70.06579	2.0
70.36487	1.9
71.04974	6.0
71.81204	2.2
79.05484	71.9
81.03409	8.7
81.07047	46.6
83.04972	16.0
83.08598	9.1
84.05227	2.1
85.02901	2.9
85.06535	5.2
91.05466	56.3
93.07032	78.4
95.04956	24.0
95.08590	29.8
97.02918	3.1
97.06512	6.2
97.10142	4.6
101.06007	2.2
105.03400	3.6
105.07018	49.0
107.04933	8.6
107.08590	17.8
109.06493	8.5
109.10155	6.5
115.00388	2.1
117.06989	9.0
119.08574	28.6
121.06514	4.2
121.10117	5.9
123.08038	7.6
125.09653	2.1
128.06203	4.1
129.06975	18.5
131.08560	4.9
133.06403	3.3
133.10094	11.6
135.08099	2.2
136.06181	3.0
137.06039	2.1
143.08549	11.1
145.10086	14.3
147.08000	3.9
147.11664	50.9
151.11102	3.1
157.10100	2.9
159.11679	3.6
161.09624	6.8
161.13240	14.1
171.11685	39.9
173.09647	2.6
179.14333	2.8
189.09160	2.8
189.12712	19.0
207.13774	28.9
257.04333	13.2
271.05844	3.3
281.17419	100.0
299.05499	18.0
299.09085	16.1
299.16476	4.3
299.20001	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	299.2001
Annotation	Totarolenone
Peak:m/z	Relative Intensity
50.35111	0.5
53.03927	1.4
55.01844	0.8
55.05479	2.9
57.06841	0.7
57.07060	6.7
67.05492	4.7
69.03394	1.4
69.07066	3.5
70.06555	0.8
71.04989	0.8
71.08649	0.6
71.79793	1.0
79.05485	4.9
81.03397	0.6
81.07047	5.3
83.04945	2.3
83.08602	3.7
85.06516	2.8
91.05465	23.9
93.07027	7.4
95.04938	2.6
95.08587	7.9
97.06518	0.8
97.10125	1.0
103.05457	1.4
105.07017	15.6
107.04904	0.7
107.08570	7.5
109.06502	1.9
109.10123	3.2
109.42795	0.7
111.08063	1.3
114.32088	0.7
115.05435	1.6
116.06223	6.2
117.06987	2.6
119.04926	5.4
119.08565	14.9
121.06476	1.3
121.10131	6.5
123.08032	2.2
123.11707	0.9
125.09614	2.4
127.07531	2.7
128.06200	1.4
129.06984	8.2
131.08553	39.6
132.08867	1.7
133.06445	1.3
133.10091	2.8
135.08034	2.4
135.11664	0.8
137.09642	1.6
139.07516	0.6
141.07007	0.9
142.07777	1.5
143.08504	2.9
145.06445	1.2
145.10141	3.8
147.08067	1.0
147.11647	2.2
149.09558	3.7
151.11131	0.9
155.08534	2.0
156.09305	2.9
157.10146	4.2
159.08031	100.0
159.11665	2.0
160.08366	3.6
161.09616	3.1
161.13293	1.7
163.11092	0.6
165.07045	1.1
165.09048	2.0
167.08498	0.9
167.10683	1.3
168.09189	0.7
169.10152	3.0
171.11656	5.1
173.09607	2.2
173.13161	1.1
179.08543	0.8
181.08650	0.8
181.10178	1.5
182.10916	0.7
183.11691	2.4
185.09616	1.3
187.11125	1.2
189.12718	4.2
192.09261	0.9
193.10114	1.2
195.11729	1.4
196.00444	0.7
197.09540	0.7
197.11682	2.0
197.13266	2.7
199.11198	3.8
199.12779	0.6
199.14835	1.3
201.12643	2.0
206.10869	1.0
207.11647	2.3
207.13618	1.2
211.11044	1.4
211.14818	1.3
213.12663	0.7
215.14296	1.1
221.13225	1.6
223.14856	2.1
225.12685	3.3
233.13248	1.2
239.14127	1.3
241.15863	0.8
243.13795	1.4
253.19513	1.6
257.19058	1.7
263.17920	3.9
266.16522	0.7
281.19043	21.5
282.19376	2.1
299.05643	1.7
299.09244	1.5
299.16541	1.8
299.20029	43.3
300.20450	3.4
319.41736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1486
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
50.11145	3.4
55.01870	17.9
55.05492	7.1
56.96564	4.0
57.03418	6.1
57.07067	43.8
57.40285	3.4
61.02906	8.6
61.44127	3.2
67.05484	11.8
68.99782	6.2
69.03423	18.2
69.07042	5.9
71.04610	4.8
71.04987	81.8
71.81355	6.7
73.02887	5.3
79.05482	9.9
81.07037	13.7
83.04971	8.4
83.08610	4.4
85.02879	5.9
85.06556	7.1
91.05449	7.7
93.07019	12.9
95.04925	6.3
95.08576	13.4
97.02862	17.3
105.07027	14.0
107.04955	29.9
107.08572	10.7
109.07851	3.5
110.94766	3.4
111.04439	9.8
113.05988	13.4
117.06958	5.4
117.43777	3.8
119.08514	9.4
121.02876	6.4
121.06496	6.4
121.10138	5.2
123.04421	17.7
123.08035	10.9
125.09605	51.8
133.06471	16.4
133.10121	5.8
135.04399	79.6
135.08012	7.8
137.02299	5.4
137.05952	13.1
139.03879	9.4
141.09146	6.9
147.04395	11.4
149.05977	8.5
151.03868	11.3
151.07518	15.1
153.05455	30.2
157.04945	100.0
161.05927	14.0
165.09109	29.7
167.10667	7.6
173.09502	3.9
177.05450	12.9
179.10646	75.1
189.05394	17.2
189.12688	5.8
191.06900	5.8
191.10649	27.6
193.08627	18.6
203.10645	22.2
207.06438	6.4
207.13885	7.0
209.08205	3.7
209.11699	57.8
211.09627	15.1
217.12213	8.6
233.11665	40.3
235.13277	33.6
245.11711	37.0
253.14241	8.1
255.20918	4.6
257.04474	20.8
263.05597	9.1
263.12744	90.5
264.12845	5.3
271.06027	6.5
281.13824	64.6
282.14206	5.8
286.88498	3.5
299.05566	17.3
299.09091	38.5
299.14954	43.3
299.19919	6.2
317.11188	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	299.1273
Annotation	Nortopsentin D
Peak:m/z	Relative Intensity
55.01849	1.4
55.05504	1.5
57.07067	1.7
64.51602	1.1
67.05488	4.1
69.03410	5.4
69.07056	100.0
70.71251	4.2
79.05486	6.3
81.07027	3.9
83.01328	19.7
83.08634	1.7
85.06532	1.3
91.05466	5.0
93.07035	2.2
95.04947	5.2
95.08595	3.7
97.02849	1.9
99.08037	1.6
105.03378	79.2
105.06997	5.3
107.04945	1.8
107.08572	9.8
109.06554	1.5
109.10141	3.1
119.08583	2.8
123.11689	1.6
129.03349	4.9
129.06934	1.9
131.08554	1.4
133.10095	1.7
135.08035	28.8
139.05714	1.4
147.04396	1.8
147.11691	2.0
149.09599	1.4
153.01801	19.7
155.08510	1.6
159.04381	2.1
171.02849	4.3
171.08090	3.2
173.09673	1.3
175.03831	7.2
183.02951	3.7
185.05956	9.4
191.03482	1.3
213.05421	29.5
221.08080	5.2
231.06500	61.7
235.11122	1.3
241.08702	2.5
243.06464	14.0
253.19547	1.7
263.10663	3.6
264.89651	1.5
271.10986	1.6
281.11639	18.1
299.05460	6.4
299.09082	8.0
299.12723	5.6
299.16193	2.0
299.19968	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01860	5.6
55.05498	3.0
57.03428	13.5
61.02901	1.9
65.03912	2.1
67.05492	3.6
67.60627	1.3
68.99464	1.3
68.99764	7.6
69.03424	27.5
69.07047	1.7
71.04972	4.4
71.78722	2.1
79.05492	7.0
81.03392	6.6
81.07042	8.1
83.01303	2.4
83.04944	3.6
85.02898	31.0
86.99268	1.4
91.05483	2.4
93.07032	6.3
95.04961	6.3
95.08578	3.0
97.02867	4.1
97.06483	1.6
99.04440	6.3
103.05443	1.5
105.07027	2.7
107.01303	1.6
107.04945	17.9
107.08615	2.7
109.02841	5.6
111.00761	3.5
111.04414	11.3
115.05449	1.8
117.42779	1.4
119.08578	1.4
121.02840	4.4
121.06495	1.9
123.04409	2.7
125.02358	4.7
125.06007	7.7
125.09647	2.0
127.03922	2.7
129.05385	1.2
131.04883	1.8
133.06490	2.0
133.10124	2.3
135.04399	47.5
135.08101	1.4
135.11650	2.8
136.04739	1.6
137.02325	3.1
137.05957	1.9
137.13200	1.6
141.01794	2.5
147.04369	3.2
147.11627	1.5
149.02324	5.9
151.03896	1.7
153.00664	2.6
153.01813	37.8
153.05452	2.8
153.40895	1.3
157.04950	1.8
161.02393	1.8
161.05991	2.3
161.09532	1.4
163.03891	14.3
165.01817	65.5
166.02217	1.3
169.06429	1.6
171.02863	5.2
171.04338	2.3
175.03893	5.8
175.07484	1.8
177.01810	11.8
179.03381	7.3
183.02864	44.7
183.04465	2.7
189.05440	4.7
191.03375	24.0
193.01241	2.7
193.04973	6.0
195.02875	94.6
196.03255	3.3
203.03368	15.6
207.02843	8.2
217.04919	16.9
219.02866	72.7
220.03139	2.0
221.04381	10.0
235.13184	1.7
237.03889	4.1
245.04436	57.0
246.04883	1.9
263.05478	100.0
263.16241	1.9
264.05783	5.0
271.05972	3.2
281.06647	14.9
281.14120	1.7
281.17532	2.3
299.05118	14.4
299.08176	31.8
299.18564	2.7
300.05829	1.6
310.19171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0963
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
61.01138	4.7
69.03407	0.4
70.91502	0.6
75.02691	2.2
86.59599	0.2
94.04033	0.4
97.02863	1.5
103.02090	0.3
108.54620	0.2
111.35087	0.2
116.62708	0.2
119.03537	0.5
136.06160	100.0
137.04607	0.3
137.06555	1.2
145.03140	1.5
163.04236	1.5
216.48605	0.2
231.09003	0.2
248.78369	0.2
267.21393	0.2
298.09628	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01850	1.4
57.03418	2.7
57.07070	0.7
57.81460	0.6
58.02948	6.9
61.02895	2.8
69.03423	5.9
69.07045	0.7
70.19656	0.6
71.04989	1.4
71.81574	0.9
73.02909	0.9
79.05486	1.1
81.03401	2.6
84.04474	1.2
85.02895	41.3
86.09688	0.9
91.03991	0.6
91.05472	5.6
97.02881	7.3
99.04432	1.6
103.07573	0.6
109.02859	4.0
118.06543	3.9
119.06562	0.4
119.07310	16.5
127.03901	7.4
136.07558	100.0
137.07870	1.2
145.04938	4.7
161.09595	0.6
177.10146	0.6
212.80237	0.7
254.17409	1.5
298.07922	1.1
298.16455	0.8
298.20038	1.4
299.05655	1.1
299.08798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05504	16.8
56.96555	1.3
57.03422	3.8
59.04988	6.2
61.01121	1.2
61.02921	1.7
64.05629	0.6
69.03412	4.3
70.06560	0.9
70.49744	1.9
73.02899	1.8
73.06549	8.4
81.03410	1.6
83.04978	6.5
85.02895	13.8
91.03946	0.9
91.05471	2.5
97.02884	4.4
98.97536	0.7
99.04428	0.9
101.06004	100.0
102.06342	1.6
102.20945	0.6
109.02857	1.3
112.36253	0.5
116.98621	0.8
119.07038	44.6
120.08105	2.0
124.03944	2.1
127.03882	3.2
131.04959	0.7
132.08087	1.8
135.04390	0.7
135.76535	0.6
136.06168	17.7
136.07336	0.8
136.09628	0.7
143.00134	0.9
144.08037	0.8
145.04938	5.8
147.04388	1.9
150.05534	0.7
152.05688	1.4
156.08051	0.7
158.74232	0.6
160.39236	0.7
163.03893	5.6
163.06035	1.6
166.07251	2.4
170.09634	0.7
172.05251	0.8
180.08611	0.7
211.48616	0.7
234.11339	1.1
239.11475	1.1
262.10742	1.5
280.11771	4.3
298.09738	2.0
298.18939	0.7
299.06140	1.9
299.09479	0.6
300.06216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70276	1.4
55.01863	2.8
55.05495	6.4
56.96556	23.7
57.03417	4.3
61.01126	1.7
61.02915	9.0
65.03936	7.7
67.05492	13.9
67.21506	1.4
69.03420	18.3
71.04955	1.4
71.78005	2.7
72.08147	2.1
73.02897	4.6
74.06069	2.2
74.13966	1.4
83.00759	3.0
83.04966	11.3
85.02887	19.4
89.00742	1.6
89.03876	1.8
90.18319	1.6
91.03912	2.1
92.01283	4.3
93.03385	15.9
95.01337	3.2
95.04955	17.4
97.02891	3.8
98.97558	9.8
99.04427	2.2
101.00880	6.4
101.02351	1.8
102.96864	1.9
103.02306	2.5
105.00322	2.3
108.84940	1.4
111.03763	2.1
111.04430	10.1
113.02365	15.8
115.02387	4.2
116.01259	3.6
116.98600	7.4
119.01900	86.8
120.00738	2.5
120.02030	3.4
121.01493	2.0
121.02847	47.4
121.63308	1.5
123.01231	2.5
125.01765	3.2
125.04432	1.4
127.03897	6.3
128.98622	2.6
131.01883	1.9
131.03386	3.0
131.42914	1.5
133.03436	3.0
134.99635	4.0
135.04382	1.8
136.06161	20.2
136.07239	1.6
136.07626	1.7
137.02933	52.7
139.03876	13.6
141.02187	3.3
142.03513	2.8
143.00087	3.2
143.01035	2.5
143.01924	1.7
145.03397	5.1
145.04962	5.8
147.04332	10.9
152.01526	2.9
153.04010	2.4
157.03456	4.3
157.04832	2.0
158.99593	3.2
160.04541	3.3
160.97592	2.0
161.01154	2.9
161.02943	4.5
163.02591	2.7
163.03865	14.9
169.01785	1.5
169.03464	7.4
170.03517	1.8
171.01376	6.4
171.05006	9.5
172.05235	1.7
177.00671	3.8
179.01981	2.7
181.02545	2.9
183.04987	1.7
185.01140	1.9
185.03049	2.6
187.02736	5.5
187.04347	2.9
188.04610	1.6
189.00763	2.5
189.02385	7.9
190.03058	1.9
191.53922	1.6
193.03445	2.6
194.01552	3.4
194.03239	1.5
195.01584	2.4
195.05011	5.6
197.02925	20.2
198.01031	1.6
198.03024	3.1
202.04045	5.8
203.02087	17.7
203.03973	2.7
205.00169	3.6
205.01897	1.7
205.24449	1.5
208.04015	1.9
211.04431	12.5
212.00755	2.3
212.02583	7.8
213.02446	6.6
213.06003	2.9
214.52919	1.9
215.00493	2.8
215.04001	16.7
216.04106	5.6
221.01192	6.9
221.02983	33.1
229.05598	4.9
230.01830	5.1
230.98116	2.6
233.01393	4.6
233.05013	3.4
235.04901	1.9
239.03920	12.3
248.99118	7.8
251.02419	14.8
257.04993	46.9
267.00073	5.0
275.02936	5.0
275.06067	100.0
276.06326	5.2
280.06409	3.2
290.02893	2.4
293.03464	22.0
294.87823	1.5
298.07336	7.7
298.14041	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42386	1.1
56.96556	10.8
70.46952	1.9
70.47345	2.9
96.08647	1.1
98.21436	1.4
98.97571	100.0
99.57433	1.1
116.98606	71.5
119.01927	1.3
130.93250	2.0
134.99646	33.0
153.00722	2.8
172.94283	1.9
190.95407	4.9
208.96428	2.2
214.95413	1.8
219.02000	2.8
232.96387	7.1
250.97420	6.0
256.96353	12.6
271.92825	1.7
272.94403	1.7
274.97470	93.0
275.05930	2.5
275.30457	1.2
292.98526	84.4
293.98779	1.6
297.99088	3.4
316.00162	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	298.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
56.96552	3.6
57.03423	2.6
61.02911	2.8
62.84847	0.9
65.03922	4.2
67.05493	4.1
69.03419	3.1
70.50970	4.1
72.08134	1.5
73.02899	2.9
73.06536	1.3
79.88909	0.9
83.04967	5.9
85.02882	6.3
93.03394	10.4
95.04958	10.3
95.06080	1.5
97.02882	3.5
98.20713	1.1
98.97571	5.7
99.04456	1.4
101.00875	7.8
101.05988	2.7
105.00312	1.2
110.01223	1.1
110.07156	3.9
111.04432	3.2
113.02357	1.3
115.02380	1.9
116.98596	2.7
119.01903	73.6
119.37618	1.0
120.01994	2.7
121.02852	35.4
125.04491	1.6
127.03873	1.8
128.02263	1.2
128.98601	1.7
131.01857	1.8
136.05211	1.5
136.06172	14.9
136.07188	1.5
136.07574	1.0
137.01888	1.9
137.02943	33.8
138.03163	1.6
138.05505	1.4
139.03864	4.1
142.03479	1.7
143.00101	1.3
145.03421	1.9
145.04976	1.0
147.01291	1.4
150.05435	2.2
152.05656	3.5
152.07059	3.4
153.03934	2.5
158.99554	1.7
159.05008	2.3
161.02914	1.7
163.03918	1.3
166.07236	9.0
169.03467	4.4
171.04985	5.8
177.00732	1.4
178.09651	1.0
183.05023	1.6
185.02904	1.6
187.04440	1.8
193.03441	2.1
193.10820	3.3
195.01433	1.2
195.04991	6.4
197.02924	14.5
202.04062	1.7
203.01930	4.7
207.05191	2.7
207.55408	3.1
210.12354	9.4
211.04449	11.8
213.02444	1.0
213.06097	4.4
215.03998	11.8
219.01770	1.2
221.02930	24.6
221.05005	1.9
222.03075	1.4
229.05565	4.7
233.01437	2.5
238.05772	1.0
239.03969	10.7
239.11343	2.8
244.04730	1.7
251.02483	7.8
256.13031	2.6
257.05042	45.3
258.05286	2.9
266.08731	1.4
271.07407	2.2
274.06961	1.9
275.06076	100.0
276.06281	6.3
280.06827	1.4
280.12955	1.2
291.03302	1.3
293.03586	9.0
293.06622	1.7
298.07773	3.6
298.14139	8.2
298.17188	1.3
298.18658	1.0
299.07248	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	296.149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	1.5
67.05486	1.0
68.05032	2.3
69.03426	0.7
71.59820	0.7
71.60197	0.9
80.05005	7.1
81.07067	1.7
85.02891	1.4
85.29874	0.5
93.07046	0.7
95.08627	0.6
99.08117	2.1
105.07051	0.8
109.10133	1.5
111.04449	0.7
117.09145	1.0
119.08592	2.3
120.95333	0.6
123.04415	3.4
123.08070	0.8
127.03873	0.9
131.04903	0.6
136.06161	1.2
137.09618	2.4
141.34987	0.6
144.06606	1.0
145.04938	1.0
145.06416	0.9
147.04372	6.2
147.08035	0.8
148.04890	0.6
153.09042	0.6
165.09099	47.7
165.34366	0.6
172.07573	1.0
173.05971	1.9
174.06754	5.6
175.07471	0.8
189.09087	69.7
190.08472	2.9
191.10609	1.3
201.05605	1.4
215.10645	1.8
218.08127	0.7
219.06516	0.8
222.06609	0.7
232.13303	22.4
236.09158	0.8
243.12451	0.6
251.99466	0.6
278.13849	100.0
279.14340	1.1
296.14883	46.2
297.15302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42009	3.6
53.03924	8.8
53.39857	3.1
55.01862	12.8
55.05494	9.3
57.03431	23.2
57.03663	4.9
57.07060	9.2
61.02912	12.0
65.03922	5.0
67.05484	33.1
69.03417	55.1
69.07048	14.9
71.01327	6.3
71.04984	13.0
71.40376	7.9
73.02894	18.1
73.06506	3.7
79.05476	23.8
81.03407	29.0
81.07043	50.7
81.08743	3.5
83.04966	13.9
83.08585	4.0
85.02888	72.2
85.06516	7.1
87.04441	8.8
91.05463	31.4
93.07027	100.0
95.04937	23.6
95.08594	44.8
97.02877	44.9
97.06534	7.0
99.04416	21.5
103.03916	11.1
105.07014	59.9
107.04922	10.7
107.08570	94.7
109.02885	10.9
109.06489	11.2
109.10136	32.4
111.04417	11.7
113.05989	3.7
115.03922	10.9
117.07001	14.9
119.08571	42.0
121.06483	9.9
121.10130	63.3
123.04372	7.4
123.08057	10.2
123.11679	10.6
125.05981	6.3
125.09581	4.7
127.03888	21.5
129.06921	7.7
131.08530	18.7
133.04982	3.9
133.06445	9.9
133.10115	44.2
135.08046	11.9
135.11668	87.1
136.06206	4.3
136.51343	3.5
137.05957	7.4
137.09587	11.3
137.69508	3.0
141.05380	4.0
141.06960	4.2
142.07701	4.7
143.08563	12.8
145.04933	14.0
145.10098	24.3
147.08054	4.8
147.11665	36.3
149.05948	4.8
149.09563	6.6
149.13231	10.2
151.11153	9.1
153.05392	4.8
153.12714	45.4
155.08553	6.8
157.10126	10.1
159.08031	7.1
159.11641	26.0
161.09575	5.1
161.13242	5.8
163.07491	7.3
163.11179	11.0
165.09097	4.5
165.12756	11.0
171.11734	9.2
173.09569	6.5
173.13297	8.2
175.11166	12.5
177.12723	21.3
183.07953	4.1
183.11549	3.5
187.11176	5.8
189.12714	11.4
195.13725	3.6
197.13226	8.4
199.11136	3.8
201.12766	9.3
215.14290	5.9
219.13799	10.9
225.12743	4.4
231.13756	8.2
233.15311	5.5
235.51796	3.5
243.13766	13.1
261.14789	32.1
279.15891	35.8
297.07672	4.3
297.11670	6.1
297.16940	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
56.05032	5.9
57.03448	0.4
57.07065	1.2
58.51567	0.4
61.02917	0.4
67.05492	1.7
68.05019	2.4
69.03421	1.2
69.07044	0.7
70.06577	1.4
70.58231	0.3
71.77100	0.7
73.02916	0.5
74.02435	5.1
79.05473	1.5
80.05021	1.0
81.07035	3.0
82.06570	4.1
83.01333	0.4
83.04996	0.4
84.04475	0.5
84.08125	0.7
85.02885	1.6
85.03358	0.4
85.06550	0.4
86.09648	0.4
91.05455	0.7
93.07037	0.9
95.04956	0.4
95.08595	1.4
96.18740	0.4
97.02893	0.5
97.06516	0.7
103.05486	0.5
105.06997	1.4
107.04939	1.3
109.06509	3.4
111.04399	0.5
114.05502	2.0
117.06972	1.3
117.09119	5.0
119.08542	0.7
121.06525	0.8
123.04469	2.4
123.08062	3.5
124.07585	12.2
128.06195	0.6
128.07071	1.7
129.06966	0.5
131.08540	0.9
133.06473	1.5
133.10100	0.7
135.04420	0.5
135.08028	0.6
137.05928	0.5
141.06914	0.6
143.08514	1.5
145.06465	1.7
147.04375	3.0
147.08025	1.9
148.05144	1.3
149.05940	1.5
150.06720	0.8
150.07765	4.3
151.07387	8.4
157.06476	2.1
158.07274	1.7
159.08052	1.4
161.05977	6.9
161.09657	2.3
163.03947	2.4
163.07526	8.2
164.09331	2.6
164.10501	0.5
165.09114	3.3
166.12204	0.4
171.08051	3.3
173.05946	0.5
173.09567	0.5
174.06790	1.2
175.07494	1.0
177.05402	2.9
177.09128	0.6
181.08572	20.2
184.07303	0.4
184.08778	0.6
187.07549	1.8
187.11157	0.9
189.05466	4.4
189.09096	10.4
189.12643	0.6
190.12343	0.5
193.08577	0.6
194.08121	0.8
196.06067	1.0
199.11148	4.4
204.10190	0.9
205.08540	0.6
205.12231	1.4
207.08165	0.8
207.10141	13.6
214.12321	0.4
215.10643	4.3
216.10202	1.4
216.13806	0.7
217.12212	4.3
232.09683	3.6
232.13269	7.8
233.11732	3.3
233.13805	0.6
234.14874	3.1
235.13216	2.3
250.14365	23.8
251.14847	0.5
252.15935	1.3
261.11191	1.2
278.07336	0.8
278.10229	12.5
278.13840	12.9
279.12177	1.5
296.14893	100.0
297.07687	0.5
297.12143	0.5
297.15186	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01873	1.8
55.05505	23.1
56.96535	1.3
57.03414	1.4
57.07067	40.6
57.43086	1.0
58.94302	0.9
61.17128	0.9
67.05495	20.8
69.03408	1.9
69.07060	61.7
70.96216	2.5
70.96610	2.2
71.04975	6.8
71.08260	1.5
71.08627	21.1
73.02907	1.0
79.05495	6.5
81.07046	45.9
83.01324	2.0
83.04951	4.0
83.08609	37.7
84.08958	1.1
85.02903	5.7
85.06541	7.3
85.10176	9.5
86.56091	1.0
91.05455	4.4
93.07028	9.2
95.04967	2.3
95.08598	50.2
97.10154	30.4
98.10478	1.3
99.08098	8.9
99.11703	1.1
101.02348	2.2
105.03394	5.6
105.07019	6.2
107.08560	3.1
109.06548	1.1
109.09406	2.1
109.10143	32.9
110.10419	1.6
111.11712	24.4
113.09605	1.1
117.07015	1.1
119.04897	1.1
119.08540	2.6
121.06502	9.6
121.10124	4.2
123.08012	1.8
123.11697	18.8
125.13241	11.8
127.11161	4.5
129.06920	1.2
131.08475	1.2
133.06470	2.0
133.10089	2.9
135.11652	2.9
137.05890	1.2
137.09589	1.4
137.13252	10.0
139.14801	2.6
141.12679	1.5
143.08487	1.8
147.11659	1.8
149.06013	2.0
151.14810	6.0
153.12769	1.4
153.16344	1.3
154.07742	1.1
155.08578	2.6
155.14265	1.7
157.10086	1.6
159.11642	1.7
161.06000	7.1
161.09500	1.1
165.05453	1.2
165.16396	2.4
169.04985	1.3
169.10048	4.8
169.12210	1.8
169.15854	1.7
171.11665	1.1
173.05966	1.1
173.09541	1.7
175.11119	1.6
178.07700	2.0
179.08463	1.2
181.10110	3.0
183.11703	3.5
189.05460	9.0
192.09315	1.1
193.10161	1.5
193.12163	1.3
193.19504	1.8
195.11670	1.4
196.12311	1.2
197.09598	1.6
197.13191	1.5
198.18594	1.1
205.06416	1.2
206.10847	1.1
207.11630	3.0
207.21068	2.4
209.09674	2.7
210.10355	1.2
211.07570	1.5
211.11156	2.0
211.14804	3.6
217.04941	34.2
218.05191	3.2
219.07941	1.1
219.11661	1.0
221.09637	2.0
221.11725	4.0
224.08217	1.1
225.09084	3.0
225.10974	1.5
225.12888	2.1
227.07008	1.4
234.06828	2.9
234.10339	1.3
235.05954	14.9
235.14764	1.1
237.09039	1.3
239.07047	6.8
239.10573	1.2
239.14388	1.9
240.07571	1.2
249.08998	2.5
249.12767	4.7
251.07014	2.7
252.07858	1.9
252.11661	1.3
253.08606	2.0
253.12169	3.7
253.15778	2.4
261.22095	1.1
265.05011	1.6
265.08536	6.0
265.11191	0.9
267.10446	4.8
267.13696	4.1
267.17340	1.3
277.08646	1.8
277.12183	2.5
277.21631	3.8
277.28888	3.2
279.06793	2.2
279.10101	4.1
279.23227	4.6
280.07236	7.9
280.10898	6.6
294.08817	1.7
295.09598	100.0
295.13232	64.5
295.16794	14.3
295.20453	11.1
295.29904	35.7
296.09943	9.9
296.13766	8.2
296.17462	3.0
296.20667	1.1
296.25946	1.6
296.30023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	4.9
55.01866	36.5
55.05503	59.5
57.03430	7.5
57.07063	16.4
59.04957	2.2
67.05495	80.1
69.03422	5.9
69.07058	38.6
71.04984	7.9
71.08618	25.4
71.80972	3.1
79.05481	54.3
81.03411	9.1
81.07043	89.6
82.07389	2.0
83.04977	20.3
83.08608	32.7
83.09080	3.3
85.06535	8.6
85.10172	9.2
90.71467	1.7
91.05463	37.1
93.07025	64.3
94.07385	2.4
95.04955	18.3
95.08595	51.7
97.06501	17.2
97.10159	18.4
99.08083	20.2
105.07021	30.1
105.78806	1.9
107.04942	4.6
107.08578	30.5
109.06532	7.0
109.10126	21.7
111.08061	42.8
111.08810	2.6
111.11706	2.5
113.09642	7.7
117.07020	8.0
117.15546	2.4
119.08570	26.9
121.06512	2.1
121.10121	24.3
122.10469	2.6
123.08092	4.1
123.11720	7.2
125.09619	18.4
129.07042	3.4
131.08546	11.7
133.06400	1.9
133.10098	31.8
135.08040	3.0
135.11674	22.3
137.09631	2.7
137.13243	3.2
139.11125	14.9
145.10143	7.2
147.08115	2.4
147.11662	23.5
149.09642	7.5
149.13226	18.1
151.11140	21.6
153.12767	5.3
157.10072	9.2
159.11644	9.5
161.09671	2.7
161.13219	14.0
163.11198	8.8
163.14819	3.9
165.12709	15.2
167.10745	2.7
171.11681	4.1
173.13275	3.6
175.11223	6.8
175.14856	5.9
177.12759	4.8
179.14270	9.5
185.13263	4.1
189.11211	12.3
189.12691	2.6
193.12309	6.8
195.12328	2.1
195.13725	10.1
207.13818	3.0
221.08060	9.7
221.15395	3.5
231.21143	2.9
239.09241	5.5
241.19554	6.8
249.22183	6.2
259.13193	2.2
259.20529	14.8
277.21582	100.0
278.22055	6.0
295.09683	3.6
295.16959	3.4
295.22760	69.5
296.23148	6.3
315.31451	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.02363	1.6
53.03941	13.9
55.01853	5.0
55.05504	20.4
57.07059	8.8
64.48886	1.4
65.03923	1.7
67.05143	3.6
67.05495	49.6
67.63408	1.3
69.03409	3.6
69.07056	33.8
69.82514	12.9
71.04979	4.5
71.08617	5.2
79.05479	25.0
79.72581	1.6
81.03407	62.8
81.03883	3.4
81.07041	45.7
83.01300	2.2
83.04975	16.8
83.08609	8.7
83.24795	1.6
85.06542	2.7
85.10161	3.0
91.05463	16.9
93.07029	31.5
94.24323	2.0
95.04955	33.9
95.08596	19.9
97.06512	4.3
97.10143	5.5
99.08080	4.7
105.07003	19.5
107.08583	22.7
109.06491	7.6
109.10144	15.0
111.08089	2.3
113.09634	2.3
115.89243	1.6
117.07007	2.7
119.08550	9.2
120.57889	1.6
120.78450	1.4
121.06493	2.5
121.10136	9.0
123.08038	2.4
123.11657	7.7
125.09582	7.3
129.06953	2.1
131.08549	4.8
133.10106	19.1
135.08029	4.7
135.11710	10.3
137.09578	1.8
137.13237	1.9
143.08513	2.6
145.10062	2.4
147.08128	1.9
147.11676	12.8
149.09657	3.0
149.13223	6.8
151.11157	41.5
152.11517	3.1
153.09077	5.2
157.10103	3.9
159.11688	2.1
161.13257	11.6
163.14801	3.8
165.12741	7.2
169.06461	2.4
169.10095	3.1
171.10201	2.3
171.11667	5.5
173.11758	1.8
173.13274	2.3
175.11183	2.7
175.14807	3.8
179.14301	6.0
181.10164	2.5
183.11703	2.2
185.13254	3.2
189.11180	1.6
189.12770	3.5
192.04796	1.6
193.10222	1.4
193.12167	2.8
195.11763	1.7
195.13609	1.6
197.09570	2.5
197.13377	3.6
207.11714	2.6
207.13823	4.3
209.13373	1.6
210.10374	1.8
211.14709	2.2
217.19437	1.5
221.13364	3.1
221.15344	2.4
225.08963	2.2
225.12708	2.8
231.21046	12.4
239.10619	2.5
239.14273	3.6
241.19510	5.8
249.12581	1.6
249.22171	5.6
253.08507	2.7
253.12135	3.9
253.15674	1.9
259.20566	10.9
265.08560	4.4
267.13715	2.8
267.17218	2.5
277.21591	100.0
278.21927	7.0
279.10196	4.8
280.10907	7.1
295.13263	50.2
295.16809	19.4
295.20413	16.6
296.13611	5.8
296.17349	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03929	2.7
55.01871	4.7
55.05500	17.1
57.03436	2.5
57.07063	4.8
61.73655	1.4
67.05492	45.4
68.05849	1.6
69.03442	2.3
69.07065	16.9
69.67326	8.1
69.67749	5.1
71.04984	6.2
71.08620	43.9
77.98149	1.5
79.05483	38.1
81.03407	7.5
81.07046	47.4
82.07350	2.1
83.04979	11.2
83.08607	10.8
85.06534	5.0
91.05473	21.8
93.07032	58.6
94.07330	2.0
95.04967	9.5
95.08597	32.5
97.06519	8.5
97.10148	6.2
98.08859	1.4
98.21487	2.6
99.08089	29.8
105.07018	15.6
107.04932	8.2
107.08586	30.8
109.06513	3.7
109.10154	16.1
111.08076	4.1
113.09637	3.3
117.07011	2.6
119.08557	12.4
120.77314	1.4
121.06485	2.2
121.09363	2.8
121.10145	30.4
123.08076	1.6
123.11678	2.5
125.09633	2.4
131.08554	3.8
133.10112	10.1
135.11674	35.6
135.12634	2.3
136.12093	1.5
137.09615	5.2
139.11140	2.1
141.09116	2.4
145.10109	4.2
147.11699	5.1
147.60219	1.5
149.13251	12.3
151.11134	12.8
153.12770	3.2
161.09644	1.6
161.13245	6.6
163.11215	5.8
163.14787	2.0
165.09157	2.1
171.11703	2.0
177.12740	4.2
179.14285	100.0
180.14655	5.7
189.12741	2.8
197.13304	3.3
199.14900	2.1
209.09561	2.0
221.15277	3.4
233.43829	1.5
235.16898	3.1
259.20648	5.4
277.21585	50.5
278.22134	3.9
295.09647	2.3
295.13538	3.3
295.16873	14.7
296.26138	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1536
Annotation	Pestaloficiol I
Peak:m/z	Relative Intensity
52.51043	1.2
55.01863	2.9
55.05486	1.5
63.05018	1.0
67.05486	2.5
69.03418	17.1
69.07053	4.5
70.18465	1.0
71.04988	5.7
79.05481	1.8
81.07023	5.3
83.01297	2.2
83.04971	1.4
85.06522	1.1
91.05471	4.8
93.07043	6.6
95.04934	3.6
95.08601	1.7
99.04433	2.8
105.07014	3.7
107.04976	2.0
107.08576	2.8
108.95575	1.2
109.02852	3.1
109.06517	11.8
109.10139	1.2
113.05973	6.5
119.04889	1.1
119.08565	2.7
119.61746	1.3
121.06489	21.1
121.10098	2.1
123.04436	6.1
123.08053	3.1
127.03882	2.2
129.06987	1.3
133.06465	3.7
135.08020	5.8
137.05940	4.3
143.08517	1.7
147.08034	9.1
149.05977	14.2
151.03909	9.4
151.07494	9.6
157.06537	1.8
157.10127	1.4
161.05981	12.3
161.09718	1.5
163.11115	1.2
165.09097	3.0
165.60643	1.2
167.06987	1.2
169.04939	6.6
169.08624	1.4
171.11777	1.3
175.07533	44.6
179.07007	16.7
179.10588	1.4
185.06024	1.5
189.09052	3.8
191.07005	2.5
193.08569	43.4
197.04436	2.0
197.08060	3.0
199.11099	1.5
201.08984	1.4
203.06992	56.7
207.10139	6.6
209.08073	1.7
213.12759	2.0
216.07832	1.3
217.08614	3.0
217.12193	7.0
221.08069	69.9
225.11205	15.0
226.09805	1.4
229.08577	1.5
231.13789	5.0
235.13269	3.3
239.09100	33.3
241.12222	3.2
244.10910	1.9
249.14796	17.0
259.13284	35.1
277.14316	100.0
278.14706	2.4
295.15372	72.7
296.16068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05495	1.2
57.07076	1.4
67.01850	2.1
67.05479	2.7
69.07062	16.6
70.37626	1.7
70.38042	3.4
71.04978	3.3
72.42855	0.9
72.62077	0.9
79.05488	1.5
81.07047	4.2
83.01328	5.1
85.02879	0.9
91.05449	2.2
93.07008	2.4
95.04955	1.4
95.08585	2.5
101.37017	0.9
105.07011	1.4
107.08605	1.3
109.10141	1.4
113.05956	1.4
119.08496	1.5
121.06552	1.1
121.10146	1.6
121.89853	0.8
123.04432	2.9
127.11171	1.9
133.10068	1.4
135.52666	0.8
139.11198	1.1
141.05447	1.8
143.08617	1.0
145.10091	0.9
151.03867	3.2
153.05490	1.4
162.71907	0.9
167.07014	6.3
169.04939	100.0
177.60406	0.9
177.99101	1.0
189.09068	2.4
191.07022	4.7
193.98079	0.9
198.00566	1.0
207.10121	7.7
209.08054	2.9
223.09602	2.6
225.11171	7.8
227.09091	11.7
239.09085	8.1
259.13336	5.9
277.14282	6.3
277.21594	1.3
295.15491	2.7
295.22864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.92854	0.2
55.01858	0.2
57.07063	0.9
65.28547	0.2
67.05466	0.6
69.07069	0.3
69.55607	2.0
71.08630	0.9
76.64767	0.2
79.05469	0.7
81.07031	0.9
91.05444	0.6
94.04191	1.6
95.04964	0.2
95.08588	0.3
105.07034	0.3
109.06538	0.4
109.10119	0.3
110.85026	0.2
122.03635	5.6
137.05960	100.0
138.06319	1.6
141.12720	2.3
147.96169	0.2
158.15413	1.3
170.15379	0.7
177.87050	0.2
222.08339	0.2
226.47182	0.2
276.20392	0.3
277.21262	0.2
294.20572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1537
Annotation	Pestaloficiol I
Peak:m/z	Relative Intensity
53.00298	0.7
53.03952	0.7
55.01864	2.4
55.05500	1.1
57.03426	5.4
57.07068	100.0
57.30984	0.6
57.75065	0.8
59.05001	0.9
61.02917	2.1
65.03918	1.1
67.05504	2.2
68.99783	1.2
69.00799	0.8
69.03418	8.1
69.07056	1.3
71.01542	0.8
71.04987	8.9
73.02903	6.1
79.05482	2.9
81.07057	4.5
83.04981	3.7
83.08624	0.8
85.02901	11.4
85.06533	27.7
87.04462	1.3
91.05498	2.2
93.07076	1.0
95.04972	0.9
95.08621	2.7
97.02876	4.9
97.06520	1.5
97.10179	0.7
100.43918	0.6
105.07038	2.9
107.04946	1.6
107.08589	4.0
109.02872	1.0
109.06511	4.7
111.04414	0.6
111.08109	1.3
112.30151	0.7
115.03910	3.9
119.08596	1.0
121.10084	0.7
123.04414	1.2
123.08041	4.1
124.07603	1.7
125.06023	1.2
125.09615	22.4
125.10479	1.3
127.03952	2.8
127.07581	1.3
133.04971	6.1
133.06476	7.3
133.10170	0.7
135.04420	1.1
135.08072	0.8
137.06064	0.9
137.09645	1.2
139.03880	1.7
145.04982	2.9
145.06502	1.1
145.10112	1.0
147.04546	0.8
147.08064	1.2
149.09682	0.8
151.01195	0.7
151.07533	9.4
153.05450	3.1
153.12828	0.8
162.80084	0.6
163.06129	1.0
163.07491	1.3
165.09102	5.2
171.06508	56.7
172.05310	0.8
175.07584	1.6
179.10704	0.9
185.04529	2.1
189.09166	1.4
191.07103	1.4
193.08577	5.1
203.14378	1.8
205.08630	2.0
207.10240	2.2
211.09702	3.1
223.09621	4.4
225.11140	5.4
231.13809	1.3
235.13393	0.7
249.14864	5.4
259.13364	3.4
267.06723	1.7
277.14328	28.6
278.14536	0.8
295.06055	9.2
295.15433	9.5
296.06497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42847	0.2
55.05482	0.2
57.07061	0.5
58.02947	0.3
60.99519	0.2
65.55458	0.1
67.05483	0.7
68.94500	0.2
69.07030	0.2
69.63918	1.0
69.64346	0.5
71.08613	0.5
79.05498	0.8
81.07050	1.8
91.05470	0.6
94.04170	1.7
95.04964	0.2
95.89516	0.2
96.28967	0.2
97.10172	0.3
98.21487	0.3
105.07043	0.3
107.04916	0.2
109.06516	0.2
119.08553	0.3
121.10180	0.2
122.03632	6.3
123.03944	0.2
123.11679	1.6
137.05956	100.0
138.06291	2.3
139.11147	0.3
141.95108	0.2
148.46635	0.2
158.15385	1.5
170.15384	2.6
204.07347	0.2
205.08585	0.4
218.36504	0.2
221.08292	0.2
222.08421	0.4
223.09676	0.6
238.11713	0.2
239.18663	0.2
252.43600	0.2
276.12976	0.2
291.79422	0.2
294.05231	0.7
294.20764	0.4
305.88812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.5
56.05029	4.4
56.42060	0.3
57.07069	10.4
65.03927	0.4
67.05492	1.9
69.03394	0.6
69.07052	0.4
70.06560	1.1
70.79831	1.4
73.02895	0.7
74.02431	4.7
79.05461	0.7
81.07038	1.8
82.06575	3.1
82.72883	0.4
83.04983	0.4
83.16268	0.3
84.08121	1.0
85.02876	1.2
85.06529	0.5
91.05459	1.0
93.07021	0.9
93.87401	0.4
95.04936	0.4
95.08571	1.0
97.02862	0.8
98.21078	0.6
99.61626	0.4
103.05428	0.6
105.07034	0.9
107.04948	1.5
107.08575	0.7
107.91401	0.4
109.06516	3.3
111.04369	0.7
115.03883	0.6
119.08551	0.6
121.06467	1.5
123.04411	1.8
123.08018	0.4
124.07584	7.3
125.09653	0.8
127.03938	0.6
128.07115	2.5
131.04900	1.0
131.08540	1.5
133.06451	1.0
135.04387	0.7
137.05963	9.0
138.06248	0.5
141.05376	0.7
144.05602	0.5
145.06470	1.1
147.04282	0.4
147.08018	1.0
147.11519	0.5
149.02399	0.7
149.05968	4.6
149.09627	0.8
151.07489	0.5
157.06505	0.5
159.08029	4.7
159.11702	0.4
163.07518	0.5
165.09058	0.5
167.10620	0.5
171.06502	1.1
175.07532	1.4
177.09125	1.0
177.12762	0.4
179.10649	34.9
180.11003	1.7
187.11142	0.6
191.10687	1.2
196.13297	1.0
203.10620	0.8
205.12215	16.3
207.13684	0.4
215.14291	5.0
221.15320	0.9
230.15369	0.8
231.13799	4.6
232.16949	4.4
233.15283	3.2
248.16444	23.9
249.16798	1.3
250.18010	1.7
259.13275	1.3
276.16040	0.5
276.20346	0.9
277.14328	2.4
281.86203	0.5
294.16971	100.0
295.06067	1.5
295.17358	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	294.1697
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
55.05500	1.1
56.04774	0.4
56.05027	5.6
56.05834	0.3
56.50994	0.4
57.06808	0.5
57.07065	7.1
61.50089	0.3
67.05489	1.4
67.79073	0.4
69.03419	0.7
69.07050	0.5
70.06564	0.8
70.44289	0.8
71.04964	0.5
74.02436	4.9
79.05479	1.2
81.07033	1.6
82.06574	3.8
82.36398	0.4
84.08125	1.1
85.06531	1.8
91.05457	1.1
93.07041	1.0
95.08573	0.6
97.02869	0.4
97.06522	0.4
105.07007	0.9
107.04961	1.7
107.08571	0.5
109.06499	3.0
109.10119	0.5
111.04438	1.1
116.07060	0.5
119.08592	0.5
121.06487	1.9
121.10101	0.5
123.04419	4.0
123.08047	1.4
124.07587	7.0
125.09611	1.1
128.07056	2.8
131.04916	0.5
131.08553	2.2
133.06474	1.3
133.10101	1.4
135.04408	1.8
137.05981	1.1
144.05719	0.6
145.06454	1.2
147.04337	0.4
147.08014	1.5
149.02309	0.9
149.05960	7.9
149.09587	0.9
150.02679	1.1
150.06755	1.7
151.03926	0.6
151.07544	0.6
151.11160	0.5
159.08031	8.4
159.11621	0.7
160.91747	0.4
161.09569	0.5
162.22961	0.4
162.48372	0.4
165.09120	1.1
171.06555	1.9
172.67856	0.4
174.09123	0.6
174.40413	0.3
175.05229	0.3
175.07520	4.0
176.07935	0.7
176.10701	0.8
177.09068	2.8
179.10649	36.4
180.11029	1.6
185.05891	0.5
187.11116	0.4
191.10681	0.9
192.10182	3.5
193.08620	0.7
203.07082	0.9
203.10658	0.7
204.07181	0.5
205.12219	15.5
206.12500	0.7
206.15392	0.6
215.14264	4.2
221.08003	0.6
225.11113	0.4
230.15434	0.5
231.13771	3.0
232.16951	3.4
233.15280	3.8
233.17059	0.4
248.16431	21.8
249.14574	0.7
249.16800	1.3
250.17947	2.1
259.13336	0.7
276.13272	0.5
276.15982	1.1
277.14267	2.7
294.16971	100.0
295.06116	0.5
295.09491	0.4
295.17340	6.8
300.58725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03944	1.3
55.01854	2.1
55.05505	27.7
57.03418	1.3
57.07068	21.0
57.40105	1.3
60.78706	1.3
65.83629	1.1
67.05495	33.1
69.03426	1.2
69.07059	54.1
69.66446	10.6
71.04974	4.3
71.08625	7.8
73.06550	2.0
79.05482	13.8
81.07047	100.0
83.08611	46.4
85.06538	13.0
85.10178	2.7
90.70821	1.1
91.05456	8.3
93.07029	28.4
95.04961	1.3
95.08596	97.2
96.08897	2.1
97.06527	7.5
97.10156	18.6
99.08113	7.6
105.07014	7.2
107.08581	38.4
109.06486	2.1
109.10146	68.0
110.10435	1.3
111.08062	12.5
111.11712	12.1
118.34148	1.2
119.08546	3.4
121.10126	20.3
123.08024	1.2
123.11694	50.1
125.09595	3.8
125.13235	4.1
127.11176	2.3
130.17058	1.1
131.08545	1.6
133.10126	2.4
135.08070	1.6
135.11665	11.3
137.13232	23.0
137.14188	2.1
139.11115	1.8
139.14774	1.7
149.13243	31.0
150.13649	1.4
151.14828	10.0
153.12735	3.5
163.14777	11.0
165.16350	4.0
167.14294	9.4
169.15797	1.5
173.13206	1.2
177.16383	3.7
179.17943	4.8
187.65788	1.1
191.17874	3.8
193.19479	3.0
205.19440	4.4
219.20952	3.3
221.08051	2.1
233.15373	1.2
249.25746	3.8
253.69269	1.2
275.20044	6.2
275.27325	15.2
293.21216	3.4
293.28348	58.8
294.28622	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.8
53.03937	1.2
55.01857	2.0
55.05506	24.9
57.06801	0.9
57.07070	14.7
59.04995	1.2
59.53630	0.8
60.70528	0.8
65.03896	1.0
67.05499	30.0
69.03413	1.5
69.07062	50.7
70.09110	1.5
70.09528	3.6
71.04981	4.6
71.08625	5.7
73.06535	0.9
79.05483	15.8
79.15831	0.9
79.65070	0.7
81.07045	100.0
82.07378	2.4
83.04977	1.7
83.08611	30.6
85.06535	11.0
85.10157	2.3
86.60608	0.8
91.05472	8.1
93.07038	26.9
95.04954	2.5
95.08595	85.0
96.08929	2.1
97.06521	5.3
97.10165	15.9
98.21429	1.5
99.08073	6.8
100.25261	0.8
100.29078	0.8
105.07015	8.1
107.04929	1.8
107.08582	29.4
109.06503	2.3
109.10144	54.3
110.10477	1.0
110.31446	1.0
111.08064	7.2
111.11703	8.1
113.09608	1.6
117.06999	2.2
119.08564	3.5
121.10141	14.4
122.10469	0.9
123.04410	0.8
123.11694	32.8
124.12019	1.3
125.09599	3.0
125.13235	4.1
127.11164	3.2
129.02827	0.8
131.08553	2.9
133.10124	4.3
135.11682	9.2
137.13240	21.7
139.11171	1.9
141.04428	0.7
145.10109	2.9
147.11674	3.9
149.09569	2.7
149.12236	0.8
149.13240	22.3
151.14819	9.7
153.12712	3.4
155.08582	0.9
155.14336	1.6
159.08046	0.9
159.11682	2.3
163.11201	1.8
163.14804	7.5
165.16393	4.1
167.14313	9.4
177.16322	2.9
179.18028	1.8
181.15787	0.9
191.17879	2.2
193.19505	2.2
205.19487	2.5
206.15889	0.9
209.19012	0.8
215.18068	1.0
219.21053	3.2
221.08061	2.7
237.22119	1.8
239.18031	1.0
249.25810	1.4
257.18961	2.2
275.20023	16.1
275.27267	9.5
276.20322	2.0
293.14069	1.5
293.18066	0.8
293.21420	4.9
293.28323	38.3
294.28650	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	4.2
55.01859	7.0
55.05497	24.0
57.03416	5.2
57.07077	12.0
59.23902	1.6
59.50055	1.6
65.03917	3.2
67.05145	2.9
67.05493	50.4
69.03427	1.6
69.07061	43.0
71.04990	6.1
71.80236	3.2
78.54028	1.8
79.05481	41.3
79.05938	3.6
81.03398	6.4
81.07044	100.0
83.04955	8.0
83.08604	12.2
85.06525	5.4
91.04920	3.3
91.05462	35.5
93.07030	38.3
95.04945	17.2
95.08009	2.8
95.08589	39.0
97.06509	11.0
97.10158	3.3
105.07012	38.0
105.07711	1.9
107.04930	7.9
107.08578	28.6
109.06502	21.8
109.10146	25.3
111.04430	1.9
111.08053	6.0
115.07525	5.1
117.06989	11.7
119.08561	43.2
120.08911	1.8
121.06469	8.0
121.10117	18.1
123.08044	10.3
123.11707	9.1
125.09565	2.6
129.01097	1.8
129.07007	5.8
131.08531	16.6
133.06488	2.3
133.10107	36.6
134.13481	1.9
135.08058	11.5
135.11702	9.5
137.05969	2.9
137.09605	11.8
141.00977	2.1
142.07834	2.2
143.08537	2.3
145.06435	2.2
145.10115	13.0
147.08054	3.4
147.11679	19.5
149.02318	3.3
149.09578	12.5
149.13245	5.6
151.07457	1.9
151.11145	12.2
157.10112	4.8
159.08081	4.2
159.11632	11.6
161.09535	1.9
161.13284	3.2
163.11150	8.1
165.12761	5.2
169.10083	2.8
169.57530	1.8
171.11726	2.5
173.09613	5.3
173.13222	5.4
175.11189	4.9
177.05392	3.0
177.12752	3.4
187.11122	5.4
187.14806	2.3
191.06955	2.1
191.14406	2.3
197.07304	12.9
197.09073	2.5
203.06982	6.2
209.11551	3.1
215.10609	3.4
221.08011	18.7
229.19424	3.6
233.08035	3.3
237.11023	2.0
239.17961	4.8
247.20575	7.8
257.18942	8.9
261.11371	2.4
265.21606	2.0
275.12985	8.5
275.20032	82.2
276.20294	3.1
293.13974	11.7
293.21271	45.3
293.27969	2.3
294.10089	7.7
294.13254	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	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.01850	1.5
55.05252	1.4
55.05503	25.9
57.03418	2.5
57.06812	1.4
57.07067	16.6
59.04970	1.1
66.38533	0.9
67.05152	2.1
67.05495	34.5
68.99763	2.0
69.03407	3.0
69.07058	52.0
70.06573	1.3
70.07370	1.3
71.04967	2.8
71.08262	1.0
71.08609	6.4
71.79255	1.5
71.79648	1.1
73.06528	1.8
79.05489	14.2
81.03358	1.1
81.07044	93.6
83.08118	1.6
83.08607	32.4
84.08138	1.2
85.06527	13.9
85.10151	2.6
91.05476	8.1
93.07027	25.8
95.04945	3.6
95.08592	100.0
96.08901	1.3
97.06505	5.6
97.10160	15.6
99.04453	2.1
99.08083	8.7
101.05980	1.2
105.03342	2.6
105.07014	10.8
107.04902	2.5
107.08581	28.8
109.06497	4.1
109.10138	56.9
111.04378	1.4
111.08057	6.3
111.11706	9.8
113.09599	2.4
116.98538	1.3
117.06965	2.1
119.08560	6.1
121.06489	1.9
121.10127	16.1
123.04410	2.5
123.08054	2.3
123.11689	39.4
125.09610	5.4
125.13284	6.2
127.11143	1.1
131.04988	1.6
131.08572	3.7
133.10138	5.2
135.08029	2.5
135.11673	12.8
137.09605	3.8
137.13239	45.8
139.03920	1.8
139.11139	1.5
139.14780	1.5
141.04362	1.6
143.08508	1.5
145.06441	1.1
145.10091	5.0
147.04433	1.4
147.08023	1.4
147.11647	3.7
149.02301	2.0
149.09610	1.5
149.12114	2.0
149.13242	23.1
151.11122	2.0
151.14806	7.6
153.12715	2.7
154.23619	1.0
155.14313	2.3
157.10062	1.7
159.11674	2.6
163.07579	1.1
163.11192	1.9
163.14796	7.3
165.16380	3.9
167.14301	11.1
169.15843	1.1
171.11606	1.1
173.05881	1.2
173.13274	2.8
175.07564	1.5
175.14720	1.4
177.16293	2.5
179.17947	3.0
183.11604	1.2
191.14296	1.0
191.17957	2.2
193.19470	3.2
201.09100	1.2
203.07019	2.3
205.19476	1.8
219.13844	1.6
219.21071	3.2
221.08060	10.1
223.20682	1.4
233.07932	1.2
233.15283	1.4
235.11253	1.2
237.22185	1.3
239.17940	1.8
249.02771	1.3
249.25835	2.4
257.11697	1.5
257.19061	4.2
275.12772	3.6
275.20102	12.1
275.27280	8.3
291.03748	1.1
292.03967	1.2
293.02878	1.8
293.08130	2.2
293.13879	4.4
293.17215	2.0
293.21451	5.4
293.28336	53.2
294.28790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03937	32.7
55.01866	17.7
55.05496	28.3
57.07031	3.5
61.82389	3.2
65.03933	4.6
67.05493	58.6
69.07053	40.7
70.96165	9.8
71.05001	4.6
79.05481	44.8
81.03407	59.8
81.07045	90.4
82.23030	3.6
83.04964	15.1
83.08598	12.0
83.53289	3.5
85.06519	5.4
91.05470	68.5
93.07029	51.2
95.01311	13.1
95.04940	21.1
95.08595	53.4
97.06513	25.3
97.10122	6.5
98.20810	3.6
100.97817	3.1
103.05402	3.5
105.07014	100.0
106.07383	4.0
107.04937	30.5
107.08610	23.4
109.06468	7.4
109.10114	7.1
111.08058	4.4
117.06988	19.1
119.02417	3.6
119.08569	46.4
121.06448	7.6
121.10121	11.2
123.08033	14.8
123.11782	3.6
125.09681	4.4
131.08540	32.1
133.10101	60.8
134.63971	3.9
135.08052	6.5
135.11674	15.6
141.07002	4.3
143.08537	4.1
145.06462	10.0
145.10077	28.4
147.11664	21.7
149.09583	8.7
149.13203	7.6
157.10033	4.5
159.08098	4.1
159.11708	20.9
161.13217	5.4
163.11143	6.4
165.09103	7.4
165.74786	3.4
169.10100	5.4
173.13232	4.9
177.12726	12.9
179.12845	3.4
179.14270	18.5
181.04929	4.0
183.11708	5.5
187.11195	11.0
195.13785	6.0
201.12831	4.1
221.08067	5.0
223.13141	3.7
241.14287	6.1
247.20575	5.3
257.19043	10.7
275.13025	6.2
275.20044	95.8
276.20444	3.6
293.15491	6.0
293.18787	15.5
293.21179	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03932	1.3
55.01859	2.6
55.05265	0.9
55.05502	9.3
57.03406	0.8
57.07055	2.3
65.03933	1.1
67.05494	19.2
69.03406	1.4
69.06683	1.2
69.07056	21.4
70.65431	0.7
71.04977	2.1
79.05478	13.8
81.03421	1.0
81.07043	23.8
83.04964	7.2
83.08601	3.8
85.06521	1.3
91.04915	1.1
91.05463	14.1
93.07028	18.8
95.04955	6.7
95.07994	1.2
95.08585	15.6
97.06511	3.1
97.10155	2.1
99.08052	0.6
105.07014	18.9
106.07349	0.7
107.04935	5.9
107.08568	12.5
109.06503	9.0
109.10138	7.9
111.08035	2.5
117.06992	5.5
119.08563	12.0
121.06477	9.1
121.10091	6.1
123.08057	5.4
123.11685	2.4
125.09626	1.2
129.06979	2.2
131.08553	10.8
133.06458	2.2
133.10100	14.0
135.08035	3.9
135.11629	3.7
137.09612	1.9
139.11209	0.7
143.08517	1.7
145.06445	1.7
145.10101	9.0
147.08029	3.1
147.11658	9.9
149.09624	4.4
149.13249	2.0
151.11140	6.5
153.05399	1.2
155.08556	1.2
157.10054	1.8
159.08011	1.0
159.11658	5.7
161.09586	2.4
161.13193	2.3
163.11182	4.3
165.12755	1.1
169.10141	1.6
171.11655	2.5
173.09615	1.5
173.13223	5.0
175.11139	2.2
177.12709	2.2
180.08688	0.7
183.11632	1.4
185.13278	0.9
187.11188	1.0
187.14751	1.2
189.12689	1.2
191.14265	2.6
197.13216	1.4
201.12750	2.1
207.13754	2.4
215.18004	1.3
219.13710	5.7
221.08105	1.5
229.19475	2.5
229.57904	0.8
231.17500	0.8
233.19101	0.8
237.14903	1.1
239.17900	3.2
247.20496	2.9
257.18939	12.4
263.12759	0.7
275.20016	100.0
276.20352	3.3
293.21072	32.3
294.21484	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03927	4.6
55.01874	7.7
55.05503	21.9
57.03429	2.7
57.07047	1.9
60.76872	1.1
62.25663	1.2
65.03911	2.2
67.05499	38.7
69.03414	1.9
69.07061	22.7
70.08084	5.6
71.04966	5.5
79.05032	1.9
79.05487	39.1
80.73968	1.2
80.89626	1.4
81.03399	4.4
81.07049	100.0
83.04974	6.7
83.08608	13.4
85.06520	4.0
91.05463	27.8
93.07040	32.1
93.07632	0.9
94.04172	1.8
95.04968	15.3
95.08597	30.4
97.06525	7.2
97.10155	3.7
98.20742	1.2
99.08060	1.9
105.07018	33.0
107.04958	7.3
107.08591	21.0
109.06507	23.6
109.10145	21.9
111.04488	1.3
111.08109	8.3
117.07003	9.3
119.08566	35.1
121.06475	3.9
121.10130	19.1
122.03635	2.0
123.08042	12.5
123.11674	5.7
125.09586	3.2
127.07475	1.3
127.11183	1.8
129.06990	3.0
131.08560	10.9
133.06438	1.9
133.09174	2.3
133.10117	23.7
135.08047	7.8
135.11710	7.5
137.05966	46.1
137.09593	9.7
139.11118	1.6
143.08557	2.9
145.10114	10.6
147.08052	2.4
147.11662	20.2
148.11986	1.5
149.09619	10.6
149.13235	4.0
151.11156	5.7
157.10101	3.4
159.11661	11.7
161.09592	2.5
161.13260	4.0
163.11186	6.1
165.12740	5.0
169.10092	2.6
171.11618	1.9
173.09561	4.3
173.13263	6.5
175.11157	4.0
175.14661	1.6
177.12677	2.9
183.11713	3.0
185.13301	2.0
189.12659	2.4
191.14247	1.3
193.12122	1.9
197.13231	2.2
201.16449	1.5
205.12166	1.4
219.10123	1.9
219.13841	2.1
221.08110	3.3
229.19493	3.8
237.11107	1.9
239.17880	4.5
247.13248	2.5
247.20508	4.5
257.11560	2.6
257.18982	10.1
275.12930	6.2
275.20026	65.9
276.20343	4.0
293.08188	1.5
293.13861	2.7
293.18170	2.3
293.21167	36.9
294.21292	2.0
298.18076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1743
Annotation	Lasiodiplodin
Peak:m/z	Relative Intensity
51.86795	0.6
55.01867	1.0
55.05504	1.1
56.96545	0.6
57.03434	3.0
57.07055	2.0
65.59423	0.4
67.05506	2.7
69.03403	0.7
69.07051	3.5
69.45966	0.5
70.24436	2.6
71.04974	0.6
79.05479	2.2
81.03412	0.8
81.07046	4.8
83.01336	5.6
83.04966	0.7
83.08607	0.9
85.06532	1.1
91.05479	2.2
93.07042	2.3
95.04930	1.1
95.08602	3.7
97.06528	1.1
97.10184	0.6
105.07030	2.9
107.04945	1.4
107.08587	3.2
109.06492	1.5
109.10146	1.8
111.04447	0.6
117.06989	1.6
119.08555	1.4
120.20221	0.5
121.06484	2.2
121.10123	1.4
123.08032	1.1
123.11675	0.8
129.06981	0.9
131.08543	2.2
133.10121	1.0
135.08017	3.5
135.11647	1.6
137.05983	0.7
137.09601	0.6
139.03885	1.0
139.11089	0.5
143.08569	0.7
145.06451	0.6
145.10088	3.1
147.08090	0.6
147.11682	1.0
149.05963	2.2
149.09615	2.0
149.13197	1.0
153.05435	1.1
155.08514	1.0
159.08060	0.8
159.11621	0.7
161.05983	1.7
162.06711	1.3
163.07510	4.4
163.11134	2.1
165.05501	1.1
173.06018	0.6
173.09601	3.6
175.07561	0.7
176.08286	2.2
177.05490	5.0
177.09096	14.0
177.16508	0.5
181.04985	0.6
187.07385	0.6
190.06209	0.6
191.07066	0.8
191.10645	7.1
201.09062	4.4
203.06990	1.4
203.10637	0.5
204.07770	2.4
209.11729	0.8
215.29776	0.5
219.06596	1.9
219.10139	65.3
220.10419	2.6
221.08028	3.3
231.10141	0.8
237.11186	100.0
238.11473	5.1
251.14314	0.8
252.93382	0.5
257.11548	0.6
275.12741	3.2
275.16394	1.3
275.20062	2.9
293.13947	3.6
293.17502	10.9
293.28055	0.5
294.17923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10613	0.2
54.53308	0.2
57.03426	2.8
57.07056	0.7
60.29903	0.2
69.03396	0.6
69.07076	1.1
70.07440	0.4
70.07845	1.1
71.04944	0.4
79.05466	0.4
81.07021	0.6
82.47671	0.2
82.71792	0.2
83.01328	4.2
83.04923	0.5
85.02872	0.3
91.05434	0.6
93.07004	0.8
95.04936	0.2
95.08542	0.4
95.70998	0.2
99.95025	0.3
105.07006	0.9
107.04932	0.4
107.08549	0.8
109.02856	0.3
109.06474	0.8
111.04404	0.3
117.06988	1.0
119.08600	0.4
121.06463	0.8
121.10079	0.6
129.07027	0.3
130.07742	0.3
131.08519	1.0
133.06509	0.5
135.08032	4.4
135.11674	0.5
139.03854	1.0
145.10106	2.7
147.07947	0.4
149.05952	1.4
149.09616	2.7
153.05446	3.0
155.08517	0.9
158.07242	0.7
159.07983	0.6
161.05931	0.8
162.06709	1.8
163.07529	4.3
163.11153	2.5
165.05435	0.9
173.09576	2.7
175.07477	0.5
176.08287	2.4
177.05464	0.9
177.09090	12.0
178.09377	0.5
181.04971	0.3
181.08574	0.5
186.06714	0.3
190.06207	1.1
191.06950	0.8
191.10645	7.3
192.10938	0.3
201.09090	4.5
204.07776	1.1
209.11732	1.5
219.10139	68.6
220.10439	3.1
225.11305	0.3
237.11186	100.0
238.11504	4.6
242.17252	0.2
275.16446	1.1
293.17444	15.3
294.17731	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.5
56.68990	0.3
65.03927	0.6
67.05495	0.3
70.48263	1.0
73.80190	0.3
79.08883	0.2
83.06097	5.0
83.12473	0.2
84.04497	5.6
91.04928	0.6
91.05470	8.9
91.06042	0.5
98.21388	0.3
101.07143	3.5
106.57229	0.2
119.04929	25.2
120.05207	0.5
120.71788	0.3
123.04443	0.7
129.06586	19.6
130.04991	7.0
136.86354	0.3
139.03844	0.7
141.04388	0.4
147.04393	100.0
147.07602	9.4
148.04745	2.8
153.76926	0.3
220.53091	0.3
221.08081	1.2
293.11157	0.5
313.38992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76920	7.3
69.77346	5.0
74.28944	1.2
85.04388	1.3
92.35783	1.6
97.51706	1.4
131.01886	1.6
136.37486	1.4
143.01917	2.6
155.01817	1.6
161.02953	5.8
162.22911	1.7
173.02956	3.2
203.03920	1.7
287.82333	1.6
293.06262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01849	0.4
55.05489	1.0
57.03435	0.3
57.07035	0.9
62.50162	0.2
65.03904	0.2
65.63553	0.2
67.01859	0.3
67.05492	1.2
68.99770	0.6
69.03403	0.6
69.07053	1.1
71.04962	0.5
71.79989	0.4
79.01804	0.3
79.05474	1.0
79.86283	0.2
81.03387	0.9
81.07040	1.8
83.04974	1.1
83.08627	0.4
85.06528	0.4
91.05462	0.9
93.07024	1.2
94.04179	0.6
95.04955	2.1
95.08583	1.6
96.02092	0.5
97.02872	0.8
97.06522	0.4
98.03636	0.3
105.07004	1.3
107.08575	1.1
108.02068	0.2
109.02176	0.3
109.02862	4.7
109.06518	0.4
109.10133	0.8
111.04426	21.7
113.05988	0.9
117.07008	0.4
119.08567	0.6
121.06480	0.3
121.10112	1.0
123.04407	1.3
123.08077	0.3
123.11667	0.4
124.05206	2.5
125.02345	0.5
125.05969	0.4
125.09595	0.2
126.03113	13.6
127.03924	2.6
129.06912	0.2
130.05052	0.2
131.08557	0.5
133.10138	0.6
135.11678	0.4
137.09618	0.3
137.13171	0.2
137.31721	0.2
139.03880	35.5
139.56619	0.2
140.04329	0.5
141.05441	100.0
142.05794	1.4
145.06461	0.6
145.10062	0.4
147.04454	0.2
147.11668	0.3
149.09619	0.3
149.13309	0.2
151.03903	0.7
154.06223	3.3
155.03362	9.9
155.06967	0.3
157.10106	0.3
159.08014	0.3
159.11722	0.3
161.05914	0.5
161.09587	0.3
163.03859	0.4
163.11130	0.4
165.09108	0.4
169.04942	13.5
170.05730	4.9
171.11801	0.3
173.05933	0.4
179.03427	0.3
190.06369	0.3
191.07036	0.4
201.05469	0.8
203.06911	0.3
203.10666	0.3
205.08682	0.5
215.07039	0.4
221.08005	1.5
229.04918	0.5
230.05775	0.6
233.08163	1.3
243.06668	0.2
261.07623	1.4
265.08643	0.3
275.12750	0.6
275.16901	0.4
275.20068	1.8
293.10217	15.3
293.13464	0.5
293.21121	1.1
293.24454	0.5
303.03421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2676
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
50.75304	1.2
53.03924	2.3
55.01846	3.2
55.05249	1.3
55.05501	20.7
57.07062	15.2
59.05000	1.8
65.03902	1.9
65.71591	1.0
67.05152	1.9
67.05489	29.9
68.99751	1.4
69.03402	4.3
69.07056	46.7
69.80095	9.9
71.04964	3.9
71.08603	4.5
79.05484	15.2
81.03379	1.8
81.07043	100.0
82.07394	1.8
83.04956	5.6
83.08601	17.2
85.06511	6.4
88.07571	1.3
91.05463	11.3
93.07031	32.2
95.04945	4.4
95.08591	73.6
96.08942	1.9
97.06491	8.2
97.10136	8.8
98.20637	1.3
98.98438	1.3
99.04408	1.4
99.08061	1.7
105.04495	1.1
105.07008	18.0
107.04905	3.0
107.08579	30.3
109.06499	5.6
109.10134	48.2
110.10411	1.7
111.04410	2.2
111.08039	5.0
111.11710	6.3
115.05353	1.4
117.06969	2.5
119.04915	5.4
119.08565	13.0
119.58872	1.4
120.21676	1.2
121.06425	1.4
121.10124	25.3
123.04410	53.4
123.08035	2.5
123.11687	74.4
124.04743	1.6
124.12026	1.6
125.09595	2.4
125.13240	3.0
127.03925	1.5
127.11166	1.4
129.06909	1.8
131.08533	3.2
132.10252	2.6
133.06444	2.1
133.10095	9.0
135.08029	3.8
135.11667	19.7
137.09579	2.5
137.13223	10.4
139.03879	89.6
139.11111	2.7
140.04218	3.4
145.10071	3.6
147.04375	14.9
147.08052	2.0
147.11655	13.5
149.13232	17.1
150.11259	2.3
151.03839	2.6
151.07469	1.7
151.14772	5.7
153.05460	1.8
153.12706	13.5
159.11696	2.3
161.05956	7.4
161.09566	1.2
161.13237	8.6
163.03841	1.7
163.14809	15.1
164.15187	1.3
165.05441	17.1
165.12747	2.9
165.16469	1.6
167.14224	1.6
169.04881	1.9
171.11665	1.4
175.14755	3.3
177.16405	8.6
179.07028	1.7
179.14180	1.2
179.17914	1.3
189.05356	2.0
189.16360	3.3
191.17870	8.7
203.17917	4.5
207.06503	4.5
217.19482	6.2
221.11610	3.1
247.24130	2.1
249.07637	1.5
273.07309	2.2
273.18475	9.0
273.25720	21.1
291.08603	10.8
291.12283	3.1
291.16217	2.0
291.19629	11.5
291.23422	2.8
291.26874	58.4
292.08755	1.4
292.19046	3.6
292.27072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01851	1.8
55.05501	4.2
57.07051	1.6
59.04968	1.8
65.03925	0.8
67.05497	3.6
68.99771	1.0
69.03412	3.1
69.07060	9.8
69.66194	5.4
71.04973	1.9
79.05482	8.3
81.07050	9.6
83.04947	3.1
83.08593	2.4
85.02874	0.8
85.06539	1.7
88.72046	0.6
91.05469	5.3
93.07033	20.0
95.04951	5.6
95.08590	7.3
97.06528	2.3
97.10178	0.9
103.65180	0.6
105.06332	0.9
105.07018	11.0
107.04960	3.7
107.08579	11.1
109.06503	12.4
109.10154	3.9
111.04408	2.4
111.08025	1.5
111.11707	2.0
113.09631	0.8
117.06989	1.3
119.04929	1.8
119.08545	4.8
119.82728	0.7
121.06488	1.3
121.10126	34.3
122.10418	0.7
123.04413	26.5
123.08009	3.9
123.11663	1.9
124.05105	1.4
125.05935	1.2
125.09586	2.2
128.06119	0.6
129.07011	1.4
131.08575	3.6
133.06471	2.9
133.07422	0.7
133.10103	2.8
135.08037	4.4
135.11710	1.9
137.05934	1.8
137.09605	1.5
139.03883	38.2
139.11136	1.7
140.04198	1.3
142.07706	0.8
143.04906	1.6
143.08531	2.3
145.10101	2.4
147.04381	7.3
147.08009	1.5
147.11661	2.8
149.09587	12.8
149.13252	1.3
151.03922	1.1
151.07544	3.9
151.13043	0.8
153.05482	0.9
155.10641	1.1
156.09309	0.9
157.10136	2.4
159.08054	1.0
159.11699	1.2
161.05934	2.3
161.09598	0.8
161.13286	1.3
163.11145	0.8
165.05444	7.6
167.03384	1.8
167.10654	100.0
168.04153	1.4
168.10970	3.8
171.11618	2.3
173.09531	1.6
173.13219	3.2
175.11174	2.1
179.06978	1.3
189.12662	1.6
191.10680	3.6
191.14305	3.0
197.13217	1.9
199.14647	0.9
207.06534	2.9
207.13811	1.2
211.14812	1.4
213.16370	1.4
215.14320	2.5
217.12155	0.9
221.11742	1.2
231.02718	0.9
231.17436	1.0
233.15353	12.3
237.16368	1.0
255.17467	2.1
273.07571	1.3
273.18491	10.1
291.05264	1.1
291.08612	8.8
291.12357	1.8
291.16000	1.8
291.19479	12.8
291.22913	1.4
291.26776	2.9
292.19394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03945	1.9
55.01860	1.3
55.05507	6.6
57.07057	2.3
58.67897	1.3
59.04985	2.4
65.79419	1.1
67.05487	5.3
69.03395	2.1
69.07046	3.2
69.63422	2.0
69.63831	9.6
71.04980	4.6
78.14763	1.3
79.05492	11.2
81.07034	8.3
83.04964	2.2
83.08614	8.7
85.02881	1.9
85.06507	2.0
86.65333	1.2
91.02956	1.3
91.05447	5.5
93.07044	12.9
95.04948	6.3
95.08585	14.7
97.06528	5.1
100.29144	1.4
105.07027	7.0
107.04939	12.4
107.08574	8.7
109.06509	4.1
109.10145	2.5
111.08060	36.9
113.09742	1.3
117.06998	2.7
119.08585	8.8
121.06495	2.4
121.10144	7.5
122.07226	2.2
123.04404	7.4
123.08061	33.9
124.08369	2.0
125.09634	2.9
128.06122	1.2
131.08562	6.8
133.06459	2.9
133.10098	9.9
135.08034	5.4
135.11685	3.3
137.09616	2.5
137.98251	1.4
139.03885	12.2
141.05495	1.9
145.10101	4.7
147.04297	1.7
147.08028	3.5
147.11644	4.5
149.09598	7.8
151.07523	100.0
152.07887	3.8
155.10631	3.5
157.10103	5.5
159.07990	2.1
161.09573	3.7
163.11186	4.7
165.05470	2.6
169.12219	1.7
171.11635	3.7
173.09627	1.5
173.13278	7.5
173.14587	1.5
175.11174	5.5
177.09055	2.8
179.10637	6.0
181.12181	2.5
187.14870	1.4
189.12721	28.3
190.13306	1.9
191.14268	15.5
192.11436	3.7
197.11661	16.3
197.13184	2.3
207.13789	69.1
208.14063	3.8
213.16367	1.8
215.14207	3.1
217.12296	3.0
232.50789	1.5
233.15341	45.8
234.15697	2.1
235.13242	1.9
249.18370	2.5
255.17456	3.5
266.88889	1.3
273.15845	1.5
273.18396	8.5
291.19507	66.2
292.19653	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	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03931	1.6
54.10360	0.6
55.01863	1.2
55.05504	4.3
55.18369	0.7
57.03414	1.1
57.07059	3.3
59.04983	2.4
61.99614	0.7
63.16740	0.8
66.44033	0.9
67.05497	4.0
69.03412	1.9
69.07040	1.6
70.44267	2.5
70.44642	1.3
71.04969	3.2
73.89434	0.7
78.76828	0.7
79.05478	6.0
81.07041	7.0
83.04974	3.5
83.08609	4.1
85.06519	2.8
91.05465	5.1
93.07037	10.2
94.82967	0.7
95.04957	5.7
95.08595	12.6
97.06488	4.1
98.20803	0.9
105.07018	10.0
107.04948	5.0
107.08591	8.1
109.06514	8.6
109.10152	4.1
110.66622	0.7
111.04438	1.6
111.08067	26.7
111.08825	1.6
113.05968	0.8
113.09612	1.4
117.07011	2.9
119.08566	9.4
121.06478	2.1
121.10112	6.6
122.07314	1.6
123.04431	7.6
123.08054	37.2
123.11600	0.9
124.08360	1.1
125.09586	1.1
129.06967	2.0
131.08549	7.0
133.06459	2.5
133.10110	8.7
135.08028	7.2
135.11671	3.3
137.05951	1.2
137.09641	5.2
137.10605	0.9
139.03876	9.8
139.07500	0.8
141.05440	1.0
142.07811	1.6
143.08519	1.6
144.09280	1.5
145.10107	17.5
146.10428	0.9
147.04370	1.8
147.07988	3.7
147.11665	7.1
149.09593	4.6
149.13217	0.9
151.07521	100.0
152.07912	3.4
155.10629	2.4
156.09299	3.4
157.10146	6.6
159.07979	1.6
159.11673	5.1
160.08812	0.7
161.09596	4.3
161.13219	2.3
163.11159	3.8
165.05440	1.5
168.04099	0.8
169.10182	0.9
171.11650	4.8
173.09576	1.9
173.13225	5.5
174.10434	1.4
175.11139	5.1
175.34061	0.8
177.09096	2.1
177.12709	2.2
179.10632	5.6
181.12332	1.1
182.10939	1.4
185.13220	1.8
187.11122	3.9
187.14767	2.1
189.11000	1.4
189.12708	25.9
189.16364	0.7
190.13118	1.4
191.14268	4.9
192.11467	3.7
197.11710	17.3
197.13278	2.2
198.11992	0.9
203.14320	1.5
205.12381	1.0
207.13780	67.5
208.14171	3.4
213.16336	2.8
215.14284	6.0
217.12212	3.4
229.15773	0.9
231.17435	2.2
233.15349	18.7
234.15587	1.0
235.13245	1.9
237.16380	1.1
249.18384	1.5
255.17371	3.2
273.18457	10.0
291.08530	5.5
291.19504	57.2
291.26965	2.3
292.19879	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	291.1584
Annotation	Pycnanthuquinone C
Peak:m/z	Relative Intensity
51.40869	0.3
53.03931	0.2
55.01849	0.7
55.05498	2.2
57.03425	2.9
57.06802	0.4
57.07066	5.5
59.04976	0.4
63.88717	0.2
65.03924	0.7
67.05492	4.3
69.03407	1.1
69.07055	6.0
71.04960	0.7
78.12011	0.2
79.05471	3.0
81.07043	9.1
83.01325	3.1
83.04951	0.8
83.08601	0.5
85.02882	0.5
85.06525	4.4
91.05462	1.9
93.07032	1.7
95.04941	0.8
95.08601	1.7
97.06516	0.3
97.10166	0.4
98.20634	0.4
99.08060	0.4
105.07008	2.7
107.04927	0.8
107.08614	1.3
109.06500	6.8
109.10154	1.2
117.07007	0.7
119.04907	0.7
119.08571	2.4
121.06476	1.1
121.10097	1.0
123.04379	0.5
123.08066	0.8
123.11687	5.2
123.75504	0.2
125.05950	0.4
127.07534	4.6
128.06186	0.6
129.06981	1.0
131.04880	0.3
131.08531	1.1
133.06467	0.9
133.10124	1.3
135.04407	1.2
135.08018	2.2
135.11693	0.4
137.05957	2.6
137.09592	1.6
139.03871	0.6
141.06961	0.4
142.07755	1.6
143.08546	1.5
145.06425	1.0
145.10074	1.0
146.07240	0.3
147.04395	0.5
147.08043	2.5
147.11691	0.7
149.05919	0.8
149.09578	0.7
151.03889	1.3
151.07515	0.6
153.05467	2.6
155.08527	0.7
156.09296	0.7
157.10106	2.1
158.07315	0.4
159.07980	2.1
159.11638	0.8
160.08791	0.5
161.05957	3.9
161.09596	3.9
161.13194	0.3
163.03891	0.6
163.07506	2.0
163.11079	0.3
165.05464	4.6
165.06868	0.5
165.09053	1.5
167.03403	0.3
167.07005	0.6
167.08478	0.5
169.04941	4.6
169.10031	0.6
170.07249	0.3
170.10756	0.3
171.08046	1.0
171.11652	0.8
172.08789	0.9
173.06046	0.3
173.09639	1.5
174.06728	1.2
175.07533	7.7
175.11148	4.0
175.14745	0.3
176.08142	0.3
177.05450	1.8
177.09091	1.2
179.07007	1.5
179.08485	0.5
181.04932	0.4
183.08022	0.4
183.11578	0.3
184.12451	0.3
185.09557	2.0
185.13179	0.6
187.07501	1.7
187.11130	1.4
188.08276	2.1
189.05403	0.5
189.09081	6.7
189.12679	1.9
190.06238	0.4
190.09850	5.3
191.06999	7.2
191.08755	0.4
191.10602	0.9
193.04930	0.7
193.08568	0.9
194.10893	0.5
195.06551	0.4
195.11642	0.3
197.07990	0.3
197.09573	1.0
198.06795	0.3
198.10356	0.6
199.07527	0.6
199.11183	1.2
199.14735	0.5
201.05476	1.1
201.09077	1.7
202.06281	0.5
202.09822	1.1
203.07025	1.3
203.10631	11.9
203.14285	1.0
204.07761	0.6
204.10980	0.5
205.08557	4.6
206.09293	1.6
207.06506	0.9
207.10126	2.5
209.08096	1.0
209.13226	0.9
211.07504	0.4
211.98596	0.2
212.08281	0.3
212.11920	0.9
213.09058	1.7
213.12706	1.0
215.07039	7.3
215.10576	4.8
216.07677	0.7
216.11401	1.2
217.08591	4.7
217.12180	4.4
217.15729	1.3
218.09210	0.5
219.10049	1.8
221.08112	0.6
221.11702	3.9
222.10291	0.4
223.09521	0.3
225.09039	1.4
226.09865	1.8
227.10635	0.8
227.14214	2.0
229.08565	17.9
229.11874	1.6
230.09349	3.5
230.12920	1.7
231.10149	5.1
231.13734	6.4
233.11624	0.5
235.09583	1.9
235.13235	0.5
237.12704	0.8
240.11412	1.8
243.10110	5.4
244.10918	3.8
245.11736	2.1
245.15340	9.9
249.11189	0.9
255.13776	4.7
258.12561	1.7
263.16412	0.9
273.14807	83.9
274.15112	2.9
291.15857	100.0
292.16226	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	291.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01881	0.4
55.05489	0.3
57.02298	0.1
57.07072	0.2
65.03922	0.2
67.05484	0.2
69.07050	1.4
70.97549	0.3
70.97884	0.2
71.04967	0.6
79.05478	0.5
81.03400	0.5
81.07041	1.1
83.01341	0.2
91.05460	0.6
93.06992	0.2
95.04946	0.2
95.08576	0.2
109.02858	1.5
109.06502	2.6
109.10140	0.2
110.73048	0.1
119.04913	0.3
121.06441	0.2
123.11678	1.0
127.03894	1.8
127.11174	0.5
137.05956	4.3
141.07936	0.1
146.91940	0.1
147.04396	0.3
151.03865	0.2
153.05464	1.6
155.90952	0.1
160.03871	0.1
161.05884	0.1
161.09552	0.1
163.07527	0.2
165.05446	100.0
166.05780	2.3
169.04994	0.9
175.07491	0.1
177.05403	0.3
179.07016	0.2
183.06493	0.3
189.09137	0.2
190.09775	0.2
191.06946	0.4
203.10603	0.3
205.08524	0.5
207.06367	0.1
207.10153	0.3
217.08543	0.6
221.11691	84.2
222.12033	2.6
223.09697	0.8
235.09587	0.6
245.15370	0.3
273.14890	1.1
291.15839	6.5
292.15948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1582
Annotation	6-Isobutyryl-5,7-dimethoxy-2,2-dimethylbenzopyran
Peak:m/z	Relative Intensity
52.39474	0.2
55.01868	3.0
55.05494	0.3
55.08175	0.2
56.86566	0.2
57.03424	2.7
57.07065	1.3
62.37867	0.3
67.05480	0.4
69.03399	0.8
69.07034	0.4
70.42870	1.2
70.43211	0.3
79.05486	1.5
81.07031	0.8
83.04499	0.2
85.06520	0.5
88.06706	0.2
90.06996	0.3
91.05476	2.4
93.07040	1.9
93.97724	0.3
105.07015	3.5
107.01273	0.6
107.04931	0.9
107.08582	1.6
109.02850	0.6
109.06509	0.6
115.05461	0.4
117.06996	1.4
119.04915	0.3
119.08586	2.4
121.06455	0.9
121.10134	2.7
123.04392	0.3
128.06210	2.1
129.06969	0.6
131.08553	1.9
133.06477	1.7
133.10085	2.5
135.04373	1.0
135.08031	10.8
135.09077	0.5
137.02325	1.6
139.84406	0.3
143.08560	3.5
145.06454	1.9
145.10088	0.4
146.07213	0.8
147.04385	1.6
147.08058	2.6
149.09590	6.4
150.64786	0.3
151.03874	2.9
159.04367	0.5
160.05217	0.6
161.05981	2.9
161.09599	6.7
163.03889	4.8
163.07578	1.6
165.05461	4.8
171.07997	3.7
173.05984	0.6
174.06738	2.5
175.03931	2.6
175.07529	12.6
176.07886	0.3
177.05438	0.4
179.03360	2.0
181.04991	0.8
189.05467	1.1
189.09084	14.5
193.04926	0.4
197.04526	0.6
199.07523	3.8
202.06302	0.4
205.08575	1.2
207.10126	0.7
217.08572	100.0
218.08954	2.2
221.11742	2.5
223.09689	0.5
235.09622	46.3
236.09949	0.9
253.10640	0.5
255.13803	0.4
273.14819	15.2
274.15253	0.4
276.12094	0.3
291.15869	77.6
292.16217	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.5
55.01902	0.4
59.54748	0.2
65.03978	0.3
67.05539	0.7
69.03458	0.4
69.07059	10.9
71.01082	0.4
71.01442	0.4
71.04975	1.1
79.05532	0.7
81.03459	0.6
81.07032	1.1
83.01330	1.1
87.16104	0.2
91.05484	1.2
93.07082	0.6
95.04971	0.3
95.08597	1.1
102.78850	0.2
103.05501	0.2
105.07065	0.6
107.08601	0.6
109.02883	1.8
109.06500	2.9
113.06015	0.4
119.04933	0.3
119.08627	0.4
121.06519	0.9
121.10165	0.8
123.04430	0.3
123.08086	0.5
123.11684	0.3
127.03896	1.6
127.11190	0.8
131.08578	1.0
133.10136	0.9
135.08049	1.7
135.11697	0.3
137.05954	4.3
143.08594	0.3
147.04393	0.2
149.05951	0.4
149.09624	1.3
151.11165	0.7
153.05461	3.5
154.61719	0.2
159.08009	1.3
161.05994	0.3
161.09560	1.1
162.06769	1.4
163.07564	2.1
165.05452	100.0
166.05769	2.1
167.07118	0.2
175.07544	0.3
177.05460	1.0
177.09096	3.2
179.03462	0.2
179.08430	0.3
179.10655	0.6
185.09569	0.2
187.07538	1.0
189.09029	0.6
195.06450	0.5
203.10562	0.3
205.08571	15.0
206.08803	0.3
206.10805	0.2
213.09151	0.2
217.08577	1.3
221.11694	81.7
222.10310	0.2
222.12047	2.5
223.09616	22.9
224.09854	0.6
227.14183	0.2
231.09990	0.4
233.13188	0.3
235.09543	1.7
237.12715	0.3
249.12744	1.9
255.13576	0.9
261.12631	0.8
262.09549	0.2
273.14810	2.4
275.14377	0.5
276.11261	0.8
276.14822	1.0
277.12231	1.2
291.15781	12.5
292.13821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01860	0.3
59.89325	0.1
69.07055	1.0
71.04990	1.1
71.51773	0.3
79.05466	0.3
81.03389	0.5
81.07025	0.6
83.01324	0.4
91.05459	0.7
93.06987	0.1
109.02860	1.9
109.06501	3.1
109.10117	0.5
119.04895	0.2
124.95884	0.1
127.03898	1.7
127.11184	1.2
130.15302	0.1
137.05956	5.2
141.35582	0.1
147.04318	0.2
149.09708	0.2
153.05449	1.4
162.06781	0.2
163.07655	0.3
165.05449	100.0
166.05772	2.4
177.05464	0.2
177.09052	0.4
205.08586	1.3
221.11693	84.1
222.12015	1.8
223.09630	2.5
228.91197	0.1
235.09544	0.3
273.14816	0.3
291.15881	5.4
304.31335	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	291.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01856	0.5
57.07082	0.3
64.17734	0.2
69.07057	0.4
69.24205	0.3
71.04983	1.0
71.06523	0.3
79.05453	0.3
81.03413	0.5
81.07047	0.7
81.94581	0.2
83.01328	0.6
91.05460	0.6
93.07054	0.3
98.21459	0.8
104.57480	0.3
108.68555	0.3
109.02864	1.4
109.06499	3.0
109.10127	0.5
119.04934	0.6
127.03909	1.6
127.11182	1.3
127.18745	0.3
135.12508	0.3
137.05954	4.7
137.09610	0.4
137.52626	0.2
153.05473	1.6
153.06667	0.2
165.05458	100.0
166.05804	1.5
169.04948	0.5
205.08569	0.6
207.06609	0.3
221.11705	82.1
222.12027	1.8
223.09709	0.5
231.10130	0.3
231.89371	0.3
235.09586	0.7
273.14877	0.6
291.15869	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	291.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.1
53.48711	0.1
55.01880	0.4
59.38049	0.1
65.03938	0.2
69.07043	0.8
69.90376	0.6
69.90800	0.3
71.04989	0.8
79.05470	0.4
80.35957	0.1
81.03395	0.6
81.07036	0.5
83.01332	0.3
84.46255	0.2
91.05453	0.5
95.04962	0.2
109.02862	1.6
109.06503	2.7
109.10146	0.4
119.04898	0.3
121.68456	0.1
126.49535	0.1
127.03898	1.7
127.11202	0.9
135.08014	0.2
137.05956	4.4
138.06277	0.2
138.93661	0.1
151.03870	0.5
153.05444	1.9
154.41330	0.1
161.09601	0.2
162.06572	0.2
163.07506	0.2
165.05447	100.0
166.05765	2.4
175.07637	0.1
179.07024	0.2
183.06525	0.2
192.17136	0.1
205.08516	1.0
217.08580	0.9
221.11690	85.0
222.12029	3.1
223.09584	1.3
235.09628	0.6
273.14825	0.7
276.69183	0.1
291.15848	6.0
292.16220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49626	0.1
53.30846	0.1
55.01878	0.3
55.05489	0.1
55.40091	0.1
62.82762	0.1
65.03928	0.1
66.47137	0.1
67.05489	0.2
69.03418	0.2
69.07060	0.9
69.97392	0.6
71.04678	0.1
71.04987	1.0
79.05489	0.6
80.72235	0.1
81.03407	0.7
81.07029	0.7
83.01308	0.4
89.21521	0.1
91.05468	0.7
93.07027	0.2
95.04951	0.2
95.08578	0.2
98.21392	0.2
105.06958	0.2
107.08592	0.2
109.02860	1.7
109.06498	2.9
109.10133	0.4
112.95937	0.1
114.77966	0.1
119.04919	0.3
121.06457	0.2
121.10088	0.1
127.03896	1.5
127.11176	1.2
131.08565	0.1
135.08037	0.1
135.11681	0.2
137.05959	5.1
138.06306	0.1
143.08493	0.1
147.04369	0.2
149.09653	0.1
153.05444	1.7
159.08112	0.1
162.06766	0.1
163.07561	0.2
165.05452	100.0
166.05788	1.7
177.05487	0.1
177.09094	0.3
179.03371	0.2
179.07043	0.1
183.06544	0.3
187.07507	0.1
205.08572	1.4
221.11696	78.2
222.12029	1.9
223.09616	1.8
235.09544	0.5
273.14767	0.4
291.15878	5.1
291.23016	0.2
292.16418	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	291.1045
Annotation	ROSOLIC ACID
Peak:m/z	Relative Intensity
56.96556	6.2
61.02908	0.5
66.70620	0.4
67.03462	0.5
70.06569	0.5
70.72614	1.9
73.02888	0.7
73.92963	0.4
79.67573	0.4
84.96027	1.2
85.02886	0.5
98.97562	2.7
113.62707	0.5
116.98608	3.0
124.99109	1.0
134.99629	1.0
143.00128	3.8
161.01224	5.1
162.99207	0.6
170.99651	1.1
173.02937	0.5
177.00786	0.9
179.02196	1.1
185.01233	1.0
187.02803	0.5
189.00677	1.6
200.04401	1.3
200.54655	1.6
203.02197	0.6
205.00212	1.4
213.00620	1.0
223.01285	1.5
231.01765	0.9
248.99205	1.0
249.02954	1.3
267.00250	1.3
267.03906	0.8
291.03922	2.4
291.10489	100.0
292.10776	1.0
300.06760	0.5
309.04962	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	291.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
56.96560	26.7
57.03423	0.7
58.06592	0.6
59.06929	0.4
61.02923	1.0
69.03423	2.4
70.06562	1.1
70.63142	1.7
71.04995	0.5
71.95250	0.5
72.96021	0.4
73.02908	0.9
74.97596	0.7
81.03407	0.6
82.20359	0.4
84.04505	0.7
84.08114	0.6
84.96023	6.0
85.02898	3.2
87.04465	0.4
95.04969	0.4
97.02868	1.9
98.20815	0.4
98.97571	14.9
99.04455	0.8
100.99147	0.6
101.00846	0.7
102.97067	1.0
103.02431	1.3
105.00174	0.5
109.02822	0.5
110.97559	1.3
112.99148	1.1
115.00662	1.0
116.98612	13.3
119.01881	2.2
121.01675	2.0
121.03466	0.8
123.01228	0.4
124.99113	3.2
127.00629	0.4
127.03919	1.4
128.02368	0.4
128.98602	1.8
129.04036	0.4
129.05241	0.6
130.05019	0.5
130.08629	2.5
131.00165	2.0
131.01904	1.4
133.01718	0.9
133.03406	0.8
134.99641	8.0
135.03233	0.8
137.02946	0.6
139.03932	0.4
141.02185	0.5
143.00154	13.0
144.98083	1.3
145.01718	1.2
145.03473	1.1
145.04898	0.6
146.99670	1.7
147.03247	0.6
147.05072	2.4
149.01241	1.0
151.00687	0.8
152.98637	0.9
153.00673	1.2
155.01869	0.9
157.01740	0.8
157.03441	0.7
158.99702	2.1
159.00966	0.4
159.03345	1.6
159.05132	0.6
161.01213	15.9
161.02913	1.5
162.99167	1.4
163.02742	1.1
163.03958	1.0
165.06085	1.5
169.01718	2.3
169.04422	0.8
170.99628	4.5
171.05066	1.0
173.01241	1.1
173.02956	1.3
175.02771	1.0
175.04520	0.5
177.00708	2.8
178.04904	3.8
179.02304	3.2
179.03822	0.5
180.54611	0.4
181.00233	0.6
183.05045	0.7
184.02805	0.4
185.01222	4.7
185.02884	0.6
186.99222	1.5
187.02803	2.6
187.04350	0.7
188.55054	0.7
189.00706	9.0
189.02348	1.0
189.04410	0.8
189.06050	2.6
189.55580	0.4
191.02242	1.5
194.99646	0.9
201.00763	0.9
201.04300	0.5
201.06091	1.8
203.02271	4.0
203.03963	0.5
203.07715	1.1
205.00162	3.1
206.02911	0.5
207.01740	2.1
213.00702	5.0
213.02783	0.4
213.03609	0.5
217.00082	0.6
219.01802	1.9
221.03236	0.7
221.05138	1.2
222.03885	0.4
223.01265	3.9
225.05998	1.4
230.98120	1.1
231.01736	8.8
237.02811	2.3
245.03186	0.5
247.01228	0.9
248.99234	8.3
249.02870	7.3
267.00287	7.7
267.03891	4.6
272.00842	0.5
273.02795	3.3
285.05029	2.2
285.07858	0.4
291.03903	15.3
291.10507	100.0
292.10736	1.4
309.01443	1.0
309.04910	11.3
309.08344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.17170	0.6
55.01831	1.6
55.05468	2.7
56.05026	7.5
57.03399	1.2
57.05334	1.2
57.07066	6.4
58.06591	3.9
58.07369	1.3
59.06892	0.8
60.04499	1.7
65.03917	1.1
67.05489	3.6
68.99755	0.9
69.03398	1.1
69.07030	2.3
71.04937	0.9
71.08629	3.1
71.81293	1.1
72.08929	0.8
74.06071	7.1
74.06877	0.6
75.06367	1.4
76.35639	0.6
77.00262	2.5
79.05488	4.0
81.03378	0.9
81.07045	4.7
83.04930	1.2
83.08597	1.0
85.06495	0.8
85.10150	1.0
86.06039	1.0
88.07615	25.9
89.07378	0.8
89.07941	5.4
91.05450	4.1
93.07000	2.3
95.04945	2.4
95.08557	2.1
97.10128	1.8
98.98368	0.6
104.07062	1.3
104.32240	0.6
105.07008	3.6
107.04892	1.7
107.08559	2.8
109.06515	3.0
109.10102	1.6
111.04409	1.6
111.08042	0.9
115.05372	0.9
117.06958	1.1
118.08629	3.4
119.04872	2.6
119.08559	2.6
121.06469	2.1
121.10133	1.6
122.08143	3.8
123.04408	19.6
123.11567	0.8
125.09634	0.7
129.06984	1.3
131.08542	1.1
132.05630	1.1
133.06474	0.8
133.10049	0.6
135.08003	1.9
137.09602	1.1
139.03882	35.1
143.04935	0.7
143.08530	1.9
145.10118	2.9
147.04393	6.0
147.08014	1.7
147.11586	1.0
149.09554	1.0
151.03899	1.5
151.07509	2.1
157.10161	1.4
159.08057	1.1
159.11646	1.2
160.05243	0.7
161.05939	2.9
161.09653	0.7
163.03877	0.9
163.11165	1.2
165.05470	6.0
169.04892	1.9
173.02243	0.8
173.09615	0.7
177.05424	0.7
179.06979	1.0
188.04655	1.7
189.05273	1.0
199.03946	0.7
201.01765	1.5
203.07060	0.8
207.06488	1.7
207.13817	0.7
216.04143	29.6
217.04622	0.9
217.15843	0.9
221.11742	2.2
223.09669	0.6
231.06488	100.0
232.06757	3.8
233.15469	1.0
242.24736	11.1
243.25104	26.3
255.17400	1.0
259.05991	38.4
260.06329	2.2
273.18530	3.7
273.26013	0.8
290.26825	15.6
291.05142	0.7
291.08505	2.4
291.16333	1.4
291.19763	12.3
291.27185	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42517	0.3
55.01867	1.6
65.03929	1.0
67.05502	1.5
68.19730	0.3
68.22183	0.3
68.99776	1.7
70.16733	2.0
83.04969	0.8
83.32185	0.4
85.02921	0.4
91.05444	1.8
93.03378	1.7
95.04971	2.3
104.00906	0.3
105.03368	0.7
105.07021	0.4
107.04875	0.5
111.04454	2.6
113.66608	0.3
114.40919	0.4
115.05436	1.2
119.04924	5.8
121.02856	0.4
123.04414	60.9
124.04720	0.6
127.03889	1.1
133.02808	0.4
133.06468	1.0
135.04362	0.9
137.02298	0.9
137.05965	1.1
139.03882	100.0
140.04208	1.6
143.04875	2.1
147.04391	18.6
148.04669	0.4
151.03918	2.4
151.07596	0.5
153.05424	0.8
158.65334	0.3
159.04364	0.4
159.91205	0.4
161.05952	6.4
163.03879	1.7
165.05458	15.1
166.05869	0.3
169.04951	1.4
177.05527	0.7
179.07025	3.3
181.04904	1.0
189.05432	1.7
203.06946	0.5
207.06503	5.7
239.66440	0.4
249.07471	1.4
254.28346	0.4
273.07584	1.3
278.88229	0.4
291.08585	8.7
292.08801	0.7
313.72714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
55.01866	1.2
65.03932	0.9
67.05499	1.0
68.99776	1.7
69.76222	1.3
69.76659	1.3
77.03908	0.3
83.04945	0.8
88.56296	0.4
91.05484	1.2
93.03416	0.7
95.04961	2.9
107.04971	0.4
109.02833	0.4
111.04429	1.5
115.05443	1.4
119.04945	5.0
121.02875	0.4
123.04416	58.6
124.04787	0.8
127.03883	0.8
131.04935	0.4
133.06496	0.7
135.04370	0.5
137.02286	1.0
137.05960	0.6
139.03883	100.0
140.04234	1.3
143.04904	2.1
147.04390	17.5
148.04860	0.4
149.05951	0.5
151.03871	2.8
153.05540	0.6
161.05969	6.8
163.03886	1.8
165.05453	17.2
169.04964	1.8
169.44388	0.3
177.05458	1.1
179.07033	2.6
181.04947	0.7
189.05457	1.5
207.06506	6.8
249.07594	1.7
273.07535	1.4
291.08600	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	291.0857
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.07014	0.3
50.25338	0.4
55.01868	1.7
55.05504	0.4
63.39246	0.3
64.75365	0.4
65.03947	0.8
67.05491	1.6
68.99778	2.1
70.04598	2.1
71.01322	0.4
79.91170	0.4
83.04969	1.0
85.02882	0.5
91.05444	1.1
93.03417	0.9
95.04961	2.8
104.83990	0.4
107.04918	0.5
111.04415	3.0
115.05448	1.0
119.04921	5.2
123.04412	63.9
124.04744	0.8
127.03902	1.5
133.06470	1.3
135.04414	0.5
137.02327	0.6
137.05945	1.0
139.03880	100.0
140.04222	1.3
143.04878	2.5
147.04388	19.1
151.03867	2.4
151.07469	0.7
153.05391	0.7
159.04439	0.5
161.05977	7.4
163.03876	2.3
165.04089	0.8
165.05453	15.6
169.04947	1.1
177.05447	1.0
179.07036	2.8
181.04947	1.2
189.05408	1.9
207.06499	7.0
211.20172	0.5
249.07512	1.0
273.07559	1.0
291.08609	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	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	17.8
57.45876	1.0
69.90179	7.2
70.06567	1.6
73.02894	1.6
84.96042	3.7
85.02908	2.7
91.24433	1.0
97.02888	1.2
98.97574	7.4
116.98609	5.6
124.99157	2.9
134.99658	3.5
139.03885	1.4
140.56963	1.1
143.00140	12.1
146.99608	1.2
158.99696	1.7
161.01207	13.0
162.99117	2.7
169.01797	1.3
170.99673	3.7
177.00745	2.3
179.02286	2.5
185.01277	2.8
186.99161	1.2
187.02881	1.2
189.00719	5.8
191.03801	1.7
191.54144	2.6
200.04475	3.2
200.54529	5.0
201.00743	1.7
205.00185	3.1
213.00694	2.1
223.01286	3.7
231.01779	2.4
248.99260	2.3
249.02730	7.0
267.00269	1.7
267.03873	1.6
273.02823	1.8
285.04834	1.5
288.01303	1.0
291.04028	5.5
291.10562	100.0
292.10938	2.5
303.78983	1.0
308.87958	1.2
309.04977	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	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93073	1.0
55.05509	2.6
56.96558	100.0
57.03437	1.2
57.13625	1.0
60.81445	1.2
67.05479	1.7
69.03423	4.1
69.07074	2.2
70.06584	1.9
70.32642	0.9
70.55145	4.0
70.69191	0.9
70.98111	1.2
71.04982	1.3
71.95252	1.8
72.08141	2.0
73.02877	2.4
74.97598	4.3
81.07059	1.9
83.04978	1.8
84.04502	2.4
84.96019	18.5
85.02888	7.5
87.04510	1.4
89.03912	6.9
91.05494	5.4
95.04952	2.5
97.02880	5.6
98.97569	52.4
100.99123	1.7
101.86836	1.1
102.97058	3.5
107.04943	1.3
109.02833	1.5
110.97543	3.2
111.02016	1.2
111.04459	2.0
112.07574	1.1
112.99131	1.2
113.70881	1.0
115.00700	1.9
116.97768	2.4
116.98609	49.6
117.03358	4.4
119.00181	1.4
119.04906	8.0
120.98119	1.5
121.01678	1.1
123.04430	8.8
124.99093	13.1
126.12796	1.6
127.00651	2.8
127.03843	2.4
128.98622	6.3
129.05472	4.7
129.06538	2.1
130.08615	4.7
131.00151	4.3
133.01723	3.4
134.98596	2.1
134.99637	37.5
135.04356	9.2
139.03896	12.2
140.98709	1.2
141.02261	2.5
143.00151	52.2
144.00534	2.1
144.13844	4.2
144.98062	3.4
145.01709	3.1
145.02844	4.9
146.99649	6.4
147.03294	1.2
147.04376	29.1
148.04744	2.5
149.01201	4.1
151.00662	1.6
151.03883	1.2
152.12668	1.1
152.98573	2.9
153.00713	6.4
153.05453	1.0
157.01698	2.6
158.01202	1.4
158.15369	1.4
158.99664	12.3
159.03258	5.3
161.01207	82.3
162.01550	3.2
162.99159	8.6
163.03883	48.9
164.04189	2.5
165.04268	2.1
165.05489	3.4
167.00217	2.9
169.01720	5.1
170.99623	12.6
173.01230	1.9
174.99190	1.3
175.02826	2.5
177.00710	18.5
179.02240	14.4
181.00153	3.0
184.02849	4.3
185.01199	15.7
186.99126	4.7
187.02777	8.5
187.04314	2.1
189.00700	36.2
189.02176	1.3
189.04262	2.7
189.95264	1.0
190.01044	2.2
193.00163	1.0
193.03769	1.8
194.99733	1.5
195.01761	2.0
201.00681	2.3
201.06140	1.0
201.76001	0.9
203.00485	2.0
203.02223	15.7
205.00160	15.1
205.03831	1.8
207.01715	8.8
207.05289	1.3
213.00706	14.4
219.01683	5.8
221.03365	2.4
223.01251	19.8
231.01703	24.6
237.02788	12.2
241.02246	2.6
245.03310	2.1
246.02835	1.3
247.01256	2.0
248.99242	10.0
249.02765	29.6
249.06584	2.1
250.03062	1.9
254.03345	1.2
255.01617	1.3
263.04373	4.3
267.00247	11.7
267.03864	22.5
268.04257	4.2
272.04504	1.9
273.02710	9.4
273.08063	1.3
285.04871	11.8
286.05502	1.6
289.05887	1.3
291.00467	2.1
291.03867	36.9
291.08264	19.2
291.19153	2.8
307.06931	1.5
309.04895	42.4
309.08563	12.3
310.05154	1.4
314.05453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0496
Annotation	Anhydrofulvic acid
Peak:m/z	Relative Intensity
53.03891	0.2
55.01826	0.4
55.05468	0.4
62.16568	0.2
67.01785	0.2
67.05443	0.8
69.03368	0.2
69.07011	0.6
70.53314	0.2
70.53640	0.8
71.04932	0.2
73.32717	0.2
79.05423	0.5
81.07042	0.9
83.04935	0.3
83.08562	0.2
85.02846	0.3
91.05421	0.5
93.06980	0.6
95.04901	0.6
95.08533	0.7
96.69577	0.2
97.06468	0.2
105.06975	0.5
107.08581	0.3
109.06477	0.4
109.10115	0.4
111.04349	0.6
113.09584	0.2
113.70637	0.2
116.98615	0.3
118.04103	0.2
119.04845	0.7
119.08478	0.4
121.10078	0.5
121.16915	0.2
123.04410	7.5
123.07980	0.2
123.11649	0.2
124.01511	0.2
130.12250	0.2
131.08528	0.5
133.10081	0.4
135.04413	0.2
137.02353	0.9
137.05893	0.3
137.93161	0.2
139.03876	10.9
143.04890	0.3
145.10083	0.3
146.03574	0.2
147.03307	0.2
147.04388	2.7
147.07945	0.3
151.03850	0.4
151.07375	0.2
152.00954	0.5
153.01801	1.1
161.05998	0.9
163.03860	1.3
164.04671	0.4
165.05475	1.8
166.02541	0.5
167.17021	0.2
169.04840	0.2
170.02014	0.6
174.03078	0.2
176.04575	0.3
177.05388	0.3
179.03387	0.2
179.06978	0.4
191.03337	0.5
192.04147	5.8
193.01289	1.2
202.02554	1.2
203.03365	3.1
207.06451	0.7
217.04947	1.3
219.02950	1.7
220.03592	1.2
221.11707	0.4
223.02339	0.2
230.02080	1.2
231.02847	3.6
232.03348	0.3
235.05984	0.3
239.02043	0.2
245.04414	2.0
247.02313	3.2
248.03139	8.2
249.03386	0.3
249.07481	0.2
259.02274	0.9
260.03082	0.4
273.03888	0.6
273.18524	0.7
276.02612	31.3
277.02957	0.6
291.04944	100.0
291.19510	2.0
292.05261	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
55.05491	2.7
56.96553	1.3
57.03426	1.5
57.07042	1.0
59.04956	0.6
65.03918	1.7
67.05500	5.3
68.18761	0.6
69.03399	1.2
69.07055	5.1
71.01326	0.6
71.04982	1.8
71.81315	0.8
73.44631	0.7
76.94242	0.6
79.05486	5.9
81.03394	1.2
81.06607	0.8
81.07045	10.0
83.04961	2.2
83.08582	1.0
85.02872	1.2
85.06525	1.2
91.05466	5.9
93.03369	1.1
93.07030	6.2
95.04963	6.0
95.08591	7.4
97.02881	1.6
97.06525	5.7
97.10149	0.8
98.97573	1.5
105.03384	1.0
105.07023	6.2
106.07349	0.8
107.04929	0.7
107.08590	4.5
109.02856	1.7
109.06487	2.6
109.10127	3.0
111.04426	4.6
111.08080	1.6
115.05450	1.6
116.98624	2.0
117.06976	1.7
118.88369	0.6
119.04932	4.8
119.08577	3.9
121.06466	1.5
121.10144	3.1
123.04419	56.4
123.08032	1.8
123.11692	2.0
124.05205	1.3
125.05898	0.9
125.09589	0.7
127.03883	1.5
129.07059	1.1
131.08540	4.1
133.06508	1.5
133.10133	3.0
134.99638	1.3
135.04385	1.8
135.08093	1.6
135.11658	2.4
137.02296	1.3
137.05020	0.7
137.05971	2.5
139.03888	89.3
139.11230	0.6
140.04315	0.7
143.04884	1.9
143.08568	1.3
145.10091	4.8
146.99649	0.9
147.04401	18.4
147.11671	1.9
149.09602	2.5
149.13251	2.7
151.03886	5.5
151.07567	0.8
151.14819	0.8
153.01782	1.3
153.05446	1.7
156.67484	0.6
157.10196	1.5
159.08017	1.2
159.11644	2.0
161.02429	0.9
161.05969	8.9
161.09641	0.9
161.13312	0.9
163.03908	5.6
163.11156	0.8
165.05466	17.4
166.02629	0.8
167.03418	1.6
169.05037	1.5
170.02138	1.0
171.11696	0.9
173.02380	2.6
173.13271	1.1
177.05457	1.4
179.03477	0.8
179.07034	3.1
181.04884	0.9
181.09978	0.6
185.13306	0.9
189.00635	1.0
189.05418	2.0
189.12675	0.8
191.03415	2.8
192.04121	7.9
193.01358	1.5
202.02608	1.6
203.03394	3.0
207.06526	5.1
213.16502	1.1
215.06982	4.5
217.04968	7.6
219.02972	3.4
221.11700	2.8
223.09715	0.8
230.02179	1.2
231.02946	3.7
231.06293	0.9
233.08119	2.2
233.15288	0.9
241.08463	0.8
245.04431	13.6
245.11536	0.7
247.02325	3.2
248.03123	10.2
249.02750	1.2
249.07399	1.0
255.17545	1.3
259.02448	1.8
259.09619	1.4
273.03918	82.0
273.06503	2.9
273.18475	2.9
274.04297	2.1
276.02631	56.6
291.05002	100.0
291.08575	13.1
291.19498	8.4
291.26852	2.3
292.05292	1.8
299.93964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	100.0
58.00637	0.6
58.96964	0.7
68.96593	0.6
70.65974	2.0
71.95248	1.5
74.97614	1.7
84.96021	5.4
98.97566	54.0
105.00165	0.6
106.98068	0.9
110.97588	0.6
112.00683	0.5
112.99122	3.0
115.00701	0.7
116.98604	43.5
123.01192	1.2
124.99095	24.9
127.00656	4.3
128.98604	0.8
131.00146	4.3
134.99634	20.6
139.00636	2.6
139.35835	0.5
140.00096	0.7
140.98543	1.3
141.02214	3.3
143.00142	75.3
144.98038	1.1
145.01689	3.5
146.99570	0.7
149.01219	3.2
151.00645	2.5
152.98581	7.9
153.00656	2.8
156.98045	0.6
157.01704	3.7
157.11426	0.5
158.01147	0.7
158.99617	1.9
159.03264	8.3
161.01201	61.9
162.01508	0.6
162.99176	0.8
163.02789	1.0
166.01746	1.4
167.00140	5.7
168.98079	1.0
169.01701	9.7
170.99628	38.6
171.99979	0.6
174.38257	0.5
174.99184	1.1
175.02745	0.6
177.00710	1.2
177.04358	1.3
179.02243	8.1
184.02747	0.9
185.01193	34.3
186.01642	0.8
186.99176	3.6
187.02756	14.1
187.04422	0.9
189.00681	65.1
190.01082	0.6
193.00296	0.5
194.01309	0.6
194.99609	2.5
201.00677	1.9
203.02243	31.0
204.02408	0.7
205.00189	9.3
205.03761	1.4
207.01720	10.7
208.02725	0.7
209.52908	1.4
211.02786	1.1
212.02220	1.1
212.53499	0.6
213.00670	24.5
219.01712	2.2
221.03279	6.9
223.01277	1.9
226.03796	1.3
229.00179	1.4
229.03738	1.0
231.01721	42.4
232.02014	0.8
245.03320	3.7
247.01234	6.0
249.02788	48.7
250.03134	1.0
254.03282	1.3
255.01672	1.7
263.04388	4.7
265.02286	1.1
266.88367	0.5
267.03839	30.5
268.04272	0.8
272.04343	1.5
273.02759	12.1
279.48080	0.6
285.04898	18.3
290.05280	1.3
291.03821	64.3
292.04166	1.8
303.05853	0.8
309.04886	90.5
310.05237	3.1
314.05392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55166	0.5
55.05508	1.2
56.96554	100.0
57.03430	1.7
57.97359	0.7
61.02923	1.4
67.05495	1.5
69.03426	3.0
70.06586	1.4
70.26984	0.9
70.27380	1.9
70.98109	0.9
71.04969	0.7
71.95258	2.1
72.08139	0.6
73.02907	1.2
74.97578	2.6
81.03425	0.7
83.04969	1.6
84.04491	0.6
84.08133	0.7
84.96021	15.4
85.02888	7.3
86.09714	0.7
89.03893	2.6
91.05486	0.9
93.60056	0.6
95.01324	0.6
95.04965	1.2
95.08601	1.0
97.02853	3.9
98.01276	0.6
98.97563	47.7
99.04428	3.1
100.99132	1.4
102.97045	2.8
103.00616	0.8
103.02415	0.8
105.00167	0.8
107.04922	1.0
109.02850	1.1
110.01276	1.1
110.97558	3.1
112.99089	3.1
115.00694	1.8
116.00168	0.7
116.98598	41.8
117.03355	2.4
119.00172	1.0
119.01820	3.6
119.04916	1.7
121.01665	2.8
123.01210	1.5
123.04429	1.4
124.99084	13.1
126.12768	0.6
126.97058	0.7
127.00661	2.5
127.03900	5.7
128.02393	1.1
128.98592	5.7
129.05391	0.9
130.08662	1.1
131.00140	4.9
131.01860	2.0
133.01701	2.2
133.03505	0.7
134.99629	24.9
135.03189	0.8
135.04376	2.4
139.00606	1.7
139.02719	1.3
139.03870	1.6
140.00143	0.8
140.02299	0.7
140.98576	1.2
141.02205	2.5
143.00136	46.2
144.13820	0.9
144.98041	2.2
145.01752	3.8
145.02731	0.8
145.04929	1.6
146.99597	4.8
147.03223	0.8
147.04224	4.2
148.98996	0.6
149.01199	3.7
149.02220	0.7
151.00638	1.8
152.98566	3.6
153.00681	4.6
156.98079	0.9
157.01697	3.7
158.01259	1.1
158.99622	7.1
159.03278	5.7
161.01193	60.5
162.01584	0.7
162.99123	4.6
163.02661	3.4
163.03888	14.8
164.02209	0.7
164.04285	1.2
165.00690	1.6
165.04274	1.8
165.05605	0.5
166.01854	0.9
167.00102	1.9
169.01712	7.4
169.03229	1.0
170.99623	18.2
171.04807	0.6
172.97531	0.7
173.01172	2.4
173.02884	1.5
174.04385	1.6
174.99115	2.3
175.02759	3.6
175.04210	0.7
176.03386	1.0
177.00676	8.5
177.04315	1.7
178.04907	1.3
179.02222	10.0
181.00130	1.5
182.03261	0.9
184.02805	1.4
185.01189	18.7
185.02844	1.2
186.99123	4.4
187.02748	9.2
187.04335	0.8
187.54161	1.1
189.00674	34.1
189.04237	2.0
189.06064	1.0
190.01004	0.6
190.03880	0.7
190.98592	1.3
191.02310	1.4
192.96535	2.2
193.00220	2.3
193.03893	1.2
194.99654	2.9
195.01852	0.9
196.54680	2.2
198.01035	0.7
201.00693	3.4
201.02325	0.6
201.04292	1.6
201.06068	1.4
202.03748	0.6
203.02232	16.3
203.07634	0.7
204.02777	2.2
205.00172	10.3
205.03833	2.0
206.97966	0.8
207.01689	7.4
207.05238	0.7
208.99670	1.0
210.97614	1.7
211.02818	0.7
212.02217	1.1
212.97337	1.3
213.00659	19.2
213.03331	2.2
215.03970	0.8
217.00069	0.7
218.03355	1.1
219.01733	6.2
219.07024	0.6
221.03206	3.5
223.01208	9.5
225.05910	0.7
226.03867	1.0
229.00111	0.8
229.03769	1.0
230.98184	5.8
231.01709	27.7
232.10718	0.9
236.02206	0.9
237.02730	7.0
241.02193	1.2
245.03224	2.6
247.01120	2.7
248.08035	0.7
248.99144	50.0
249.02783	29.9
249.08391	0.9
250.03200	0.9
255.03825	0.6
263.04333	2.3
265.02237	1.0
267.00198	37.9
267.03790	19.3
268.04318	0.7
272.00705	2.0
272.04230	1.4
272.99487	1.0
273.02747	12.0
282.68390	0.6
285.01614	1.3
285.04828	10.2
286.05844	0.6
290.01776	0.9
290.05240	0.9
291.00259	6.7
291.03799	51.7
291.10529	47.0
292.04065	0.7
303.05777	0.8
309.01215	7.3
309.04843	44.0
309.08496	6.6
314.05261	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17784	2.6
53.03940	3.1
55.05507	22.0
57.03418	8.7
57.07057	3.9
65.03937	7.6
66.87999	2.1
67.05489	37.0
69.07068	22.9
70.05762	15.0
71.04975	17.8
71.70856	2.8
79.05476	20.6
81.03403	4.5
81.07047	89.3
83.04951	5.8
83.08607	16.9
85.06545	13.1
91.05470	29.2
93.03396	3.7
93.07022	28.6
95.05000	5.7
95.08592	98.4
97.02883	3.2
97.06512	21.4
97.10168	5.5
98.20756	3.8
99.04459	3.7
99.08080	10.3
105.07003	28.9
107.04961	5.3
107.08587	19.7
109.02904	2.4
109.06512	4.0
109.10146	12.1
110.85683	2.6
111.04441	27.6
111.08092	6.5
117.07059	3.7
119.08566	36.1
121.10117	16.8
123.04392	38.1
123.05148	3.7
123.08069	3.3
123.11713	4.7
125.09730	3.5
127.03932	9.6
131.08510	2.8
133.10118	23.3
135.04401	53.5
135.05354	4.4
135.11674	17.5
137.02295	3.8
137.09554	3.9
137.13260	8.1
139.03870	40.6
142.07828	2.8
145.10144	5.6
147.11708	3.5
149.02335	4.6
151.03864	12.3
151.11108	2.7
161.13242	66.5
163.03935	15.9
166.68111	2.8
169.05042	3.4
176.14339	12.2
179.14279	42.9
179.15695	2.6
185.05943	2.7
197.15385	6.9
200.04781	4.2
214.22285	2.6
228.04143	23.0
229.04799	3.7
231.03026	3.9
231.06519	3.4
233.46291	2.8
245.04431	4.1
253.17944	7.9
256.03638	17.4
259.02460	3.2
259.06058	4.7
261.07614	7.2
271.06009	11.8
271.13269	8.2
271.18942	71.6
274.04700	19.7
289.07028	100.0
289.10471	6.2
289.14401	15.3
289.18069	8.9
289.21637	3.6
289.25381	6.8
290.07446	3.8
290.21060	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	289.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01867	5.1
55.05505	9.2
55.81314	2.2
57.07068	3.4
65.03915	3.6
67.05485	16.6
67.99561	2.5
69.03418	8.0
69.07061	16.5
69.91043	7.9
69.91467	8.7
71.04987	10.6
75.08383	2.1
79.05487	19.7
81.03383	3.3
81.07044	38.6
83.04963	14.5
83.08598	4.2
85.02888	2.5
85.06505	6.6
88.10008	2.0
89.03925	2.6
91.05463	18.8
93.03426	4.4
93.07034	53.2
95.04964	17.1
95.08589	41.5
96.61861	2.4
97.06509	29.2
98.20655	2.8
99.04449	17.9
99.08051	3.3
105.07012	37.4
107.04927	7.1
107.08578	27.8
109.06503	29.8
109.10139	8.4
111.04422	18.2
111.08043	20.4
113.05957	5.9
115.05392	2.5
117.03351	3.0
117.07011	3.1
119.08562	21.1
121.05598	4.7
121.06481	74.1
121.07316	5.1
121.10138	6.9
123.04408	30.3
123.08070	8.2
123.11693	8.8
125.05972	11.7
127.03889	11.8
127.07529	11.0
129.07004	4.4
131.04926	3.2
131.08534	5.8
133.06470	3.6
133.10123	20.8
135.04396	55.8
135.08020	12.2
136.04718	4.6
137.02339	5.6
137.05991	6.5
139.03888	28.3
139.07506	18.7
141.06970	3.0
142.07751	2.4
143.06992	11.1
143.08543	7.1
145.10104	7.2
147.08038	6.6
147.11661	40.8
148.12001	3.8
149.02313	4.5
149.13249	5.7
151.03873	12.0
151.07590	4.0
151.11176	20.6
153.01797	24.9
157.06535	3.8
157.08594	13.5
157.09933	15.2
159.06537	12.0
159.07831	2.7
161.06007	2.5
161.09566	2.6
161.13283	13.0
163.03860	21.1
163.14836	2.6
165.12724	17.2
169.12245	19.6
171.02928	4.3
171.11650	12.8
173.09631	5.2
175.11153	26.4
179.14359	2.9
181.10088	6.6
189.12695	23.7
193.12210	35.5
197.06042	4.9
199.11143	21.0
201.01436	3.0
203.03398	4.7
207.13802	17.6
211.11243	4.2
211.13222	37.1
217.12215	97.2
218.12483	6.7
225.05360	3.4
229.14325	16.5
230.07991	4.7
230.14709	3.1
231.06499	3.2
235.13258	100.0
236.13576	3.9
243.06474	4.9
247.02391	6.7
253.04913	4.3
253.14290	71.2
254.14667	3.7
259.05920	4.3
261.07654	4.7
271.02560	7.6
271.05981	85.2
271.15186	3.6
272.06409	3.8
289.03540	4.1
289.07050	50.9
289.11734	3.6
289.17899	3.9
290.07239	4.3
290.10153	25.7
290.13419	3.7
290.17535	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	289.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41389	0.5
53.03941	0.8
55.01862	2.5
55.05491	2.9
57.03409	0.9
57.07057	1.5
65.03928	2.6
67.01855	3.6
67.05498	11.4
68.99796	1.3
69.03415	1.8
69.07053	2.6
71.27081	1.5
78.59402	0.8
79.05478	9.2
81.07044	8.5
83.01336	10.5
83.04951	0.8
83.08611	1.9
91.05474	8.1
93.03391	1.8
93.07034	13.4
95.04954	4.5
95.08002	1.1
95.08596	13.4
97.10155	1.0
103.05499	1.5
105.03401	1.1
105.07018	20.8
106.07847	0.7
107.04951	2.9
107.08580	41.6
108.08917	1.2
109.02849	0.9
109.06499	2.2
109.10141	30.6
111.04427	7.2
115.05439	0.8
117.06987	2.8
119.04919	0.9
119.08570	5.6
121.06487	2.4
121.10131	87.1
122.10931	35.0
122.11824	1.5
123.04427	17.4
123.08046	5.0
123.11732	7.1
127.03918	4.8
128.06108	0.8
129.06993	1.5
131.04918	1.0
131.08530	3.1
133.10115	17.3
135.04402	18.7
135.08064	2.3
135.11639	1.6
137.02304	1.1
137.05966	1.4
139.03883	25.1
141.05446	2.7
141.07016	1.6
143.08585	1.1
145.06479	1.3
145.10106	2.4
147.08022	0.7
147.11644	1.5
149.02327	1.6
149.05968	1.6
149.09575	1.3
151.03903	8.6
153.05423	4.1
153.44336	0.6
155.03415	2.4
155.08540	2.4
157.10074	1.4
159.04390	0.7
159.08026	2.4
159.11691	1.0
160.03874	0.9
161.05920	1.4
161.09604	0.9
163.03886	7.5
163.07555	0.8
165.05484	1.2
167.03427	5.8
167.07083	3.0
169.04947	100.0
170.05228	3.4
171.07896	0.8
173.06000	1.0
173.09596	2.7
173.13277	0.8
175.07497	1.1
175.11116	0.9
177.05443	8.4
177.09036	1.1
179.07115	0.7
181.04900	1.1
183.06532	5.2
183.07988	1.2
183.11636	1.1
185.09657	0.9
187.07471	1.9
187.11127	2.1
189.05565	0.7
191.07031	4.7
193.04961	7.7
195.06554	3.0
195.08061	0.8
197.13290	1.2
199.07407	0.7
201.05554	1.3
201.09108	3.6
201.12810	0.7
201.16389	0.7
203.07022	2.4
205.04910	1.2
205.08578	2.8
207.06482	3.2
207.11650	0.8
209.08113	1.4
210.10361	0.9
211.07562	2.3
213.05449	1.2
213.09131	0.9
214.06294	0.9
215.07036	2.7
215.14281	0.9
219.06529	2.0
219.10150	2.0
220.07129	1.2
221.08139	1.3
225.12747	3.8
227.06985	1.8
229.08588	5.7
229.12164	1.3
231.06519	2.1
231.10083	0.9
231.13763	0.8
233.08037	7.1
234.08585	0.9
238.09859	1.2
241.08742	1.2
242.09381	0.8
243.13829	2.3
245.08130	1.2
246.08875	1.9
247.09644	5.3
247.13516	1.1
253.12146	5.7
256.10831	1.4
259.05920	0.7
259.09723	1.4
260.10394	0.9
261.07529	1.3
261.14725	3.4
271.06012	4.0
271.13272	16.4
271.20502	0.7
272.13696	1.4
274.04706	0.7
274.12006	0.9
289.07437	5.4
289.14328	81.0
289.17838	5.7
290.07657	0.7
290.14676	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	289.1432
Annotation	4-Hydroxy-(3',7'-dimethyl-1'-oxo-octa-2'-E-6'-dienyl)benzoic acid
Peak:m/z	Relative Intensity
50.41389	0.5
53.03941	0.8
55.01862	2.5
55.05491	2.9
57.03409	0.9
57.07057	1.5
65.03928	2.6
67.01855	3.6
67.05498	11.4
68.99796	1.3
69.03415	1.8
69.07053	2.6
71.27081	1.5
78.59402	0.8
79.05478	9.2
81.07044	8.5
83.01336	10.5
83.04951	0.8
83.08611	1.9
91.05474	8.1
93.03391	1.8
93.07034	13.4
95.04954	4.5
95.08002	1.1
95.08596	13.4
97.10155	1.0
103.05499	1.5
105.03401	1.1
105.07018	20.8
106.07847	0.7
107.04951	2.9
107.08580	41.6
108.08917	1.2
109.02849	0.9
109.06499	2.2
109.10141	30.6
111.04427	7.2
115.05439	0.8
117.06987	2.8
119.04919	0.9
119.08570	5.6
121.06487	2.4
121.10131	87.1
122.10931	35.0
122.11824	1.5
123.04427	17.4
123.08046	5.0
123.11732	7.1
127.03918	4.8
128.06108	0.8
129.06993	1.5
131.04918	1.0
131.08530	3.1
133.10115	17.3
135.04402	18.7
135.08064	2.3
135.11639	1.6
137.02304	1.1
137.05966	1.4
139.03883	25.1
141.05446	2.7
141.07016	1.6
143.08585	1.1
145.06479	1.3
145.10106	2.4
147.08022	0.7
147.11644	1.5
149.02327	1.6
149.05968	1.6
149.09575	1.3
151.03903	8.6
153.05423	4.1
153.44336	0.6
155.03415	2.4
155.08540	2.4
157.10074	1.4
159.04390	0.7
159.08026	2.4
159.11691	1.0
160.03874	0.9
161.05920	1.4
161.09604	0.9
163.03886	7.5
163.07555	0.8
165.05484	1.2
167.03427	5.8
167.07083	3.0
169.04947	100.0
170.05228	3.4
171.07896	0.8
173.06000	1.0
173.09596	2.7
173.13277	0.8
175.07497	1.1
175.11116	0.9
177.05443	8.4
177.09036	1.1
179.07115	0.7
181.04900	1.1
183.06532	5.2
183.07988	1.2
183.11636	1.1
185.09657	0.9
187.07471	1.9
187.11127	2.1
189.05565	0.7
191.07031	4.7
193.04961	7.7
195.06554	3.0
195.08061	0.8
197.13290	1.2
199.07407	0.7
201.05554	1.3
201.09108	3.6
201.12810	0.7
201.16389	0.7
203.07022	2.4
205.04910	1.2
205.08578	2.8
207.06482	3.2
207.11650	0.8
209.08113	1.4
210.10361	0.9
211.07562	2.3
213.05449	1.2
213.09131	0.9
214.06294	0.9
215.07036	2.7
215.14281	0.9
219.06529	2.0
219.10150	2.0
220.07129	1.2
221.08139	1.3
225.12747	3.8
227.06985	1.8
229.08588	5.7
229.12164	1.3
231.06519	2.1
231.10083	0.9
231.13763	0.8
233.08037	7.1
234.08585	0.9
238.09859	1.2
241.08742	1.2
242.09381	0.8
243.13829	2.3
245.08130	1.2
246.08875	1.9
247.09644	5.3
247.13516	1.1
253.12146	5.7
256.10831	1.4
259.05920	0.7
259.09723	1.4
260.10394	0.9
261.07529	1.3
261.14725	3.4
271.06012	4.0
271.13272	16.4
271.20502	0.7
272.13696	1.4
274.04706	0.7
274.12006	0.9
289.07437	5.4
289.14328	81.0
289.17838	5.7
290.07657	0.7
290.14676	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	289.1428
Annotation	4-Hydroxy-(3',7'-dimethyl-1'-oxo-octa-2'-E-6'-dienyl)benzoic acid
Peak:m/z	Relative Intensity
51.02371	0.2
51.23814	0.1
51.36580	0.2
51.79603	0.1
53.03944	0.5
55.01864	0.5
55.05502	1.2
57.03433	0.5
57.07055	0.5
57.39944	0.1
58.07406	0.3
58.41356	0.1
62.13750	0.1
63.41491	0.1
65.03931	0.9
67.01523	0.3
67.01850	2.3
67.05495	5.1
68.99762	0.4
69.03422	1.1
69.07056	1.0
69.95907	0.7
70.06579	0.6
71.08596	0.2
77.03911	0.2
79.05479	3.2
81.03412	0.2
81.07047	2.7
83.01323	6.7
83.04980	0.2
83.08636	0.2
85.02877	0.7
85.06529	0.1
88.07613	0.9
91.05464	7.8
92.06257	0.2
93.03390	0.5
93.07027	5.2
93.17098	0.1
94.07837	0.2
95.01276	0.2
95.04948	1.4
95.08590	18.7
96.08938	0.3
97.02870	0.5
97.06567	0.2
98.20686	0.3
102.09161	0.2
103.05459	0.4
105.07010	15.5
106.07349	0.2
106.08668	0.4
107.04932	0.7
107.08571	26.3
108.08910	0.6
109.06499	1.6
109.10138	4.2
111.04417	0.5
113.02351	0.2
115.03838	0.2
115.05454	0.6
115.81933	0.2
117.07001	1.1
119.04955	0.3
119.06074	0.4
119.08551	2.7
121.02754	0.1
121.06483	1.1
121.10126	7.9
122.10889	0.5
123.04409	4.7
123.07983	0.2
123.11690	0.3
125.02289	0.1
127.03897	0.8
128.06224	0.3
129.06973	0.3
130.07704	0.3
131.04919	0.3
131.08527	1.9
133.06512	0.3
133.10104	19.4
134.10826	0.6
135.04372	1.2
135.08049	0.2
135.11690	0.3
137.05916	0.8
139.03896	1.5
141.01804	1.1
141.05423	2.8
141.07042	0.2
142.07806	0.3
143.03387	0.7
143.08499	0.4
145.06461	1.5
145.10107	2.2
147.04398	0.2
147.08011	0.3
147.11644	1.4
149.05940	1.2
149.09644	0.2
151.03877	3.4
151.07475	0.2
153.05449	2.3
155.03358	1.2
155.08505	1.2
157.10103	0.8
158.07310	0.3
159.04431	0.2
159.08046	0.8
159.11722	0.6
161.05905	0.2
161.09616	0.3
163.03880	2.4
163.07523	0.4
163.11142	0.3
165.05490	1.4
167.03333	0.7
167.07066	0.9
167.08316	0.2
168.09346	0.2
169.04932	86.3
170.05263	2.0
171.08075	0.3
173.06071	0.8
173.09581	7.4
174.06772	0.2
174.09935	0.3
175.07523	0.3
175.11147	3.8
177.05434	8.2
178.05806	0.2
179.07042	0.3
181.04976	0.8
182.10930	0.3
183.06512	3.2
183.08035	0.6
183.11688	0.3
185.09543	0.3
187.07503	0.9
187.11148	0.9
187.14827	0.2
189.05466	0.2
189.09099	0.2
191.06984	2.0
192.09409	0.2
193.04944	3.1
194.05708	0.8
195.06500	9.1
196.06987	0.2
196.08646	0.2
197.07976	0.3
197.09613	0.5
197.13229	1.3
199.07538	0.2
201.09103	1.8
203.06947	0.4
204.07657	0.2
205.04884	0.2
205.08531	0.7
206.05707	0.4
207.06506	2.1
207.11723	0.3
208.07088	0.2
209.08047	2.1
210.10393	0.4
211.07474	1.3
213.09052	0.5
214.06271	0.5
214.09825	0.2
215.07028	0.6
215.10649	0.6
215.14206	0.7
217.08408	0.2
219.06448	1.2
219.10121	0.5
220.07207	0.9
221.08005	0.3
225.09280	0.8
225.12656	2.8
227.07001	0.3
227.14229	0.2
228.07765	0.5
228.11386	0.3
229.08559	4.3
229.12114	0.3
230.08815	0.2
231.06516	0.6
231.10022	0.2
232.07220	0.6
233.08046	12.8
234.08615	1.1
235.11255	0.2
238.09952	0.3
241.08527	0.2
242.09329	0.6
242.24855	0.2
243.10083	2.0
243.13762	2.4
244.14093	0.1
245.08092	0.5
246.08809	0.5
247.09615	22.8
248.09990	0.9
253.12244	1.5
256.10901	0.5
259.09579	0.8
260.10202	0.4
261.11182	2.8
261.14810	1.4
271.06442	0.2
271.13245	7.5
271.28220	0.3
272.13596	0.4
274.11816	1.2
289.14288	100.0
289.29202	6.3
290.14627	4.8
290.26810	0.7
305.98712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1428
Annotation	Zuurbergenin
Peak:m/z	Relative Intensity
53.03932	1.4
55.01867	1.1
55.05502	3.5
57.03426	0.7
57.07058	0.4
59.04990	0.5
60.64238	0.3
65.03928	0.9
67.01852	0.7
67.05491	5.4
69.03404	1.6
69.07052	1.7
69.63263	3.1
71.04985	2.3
72.23635	0.3
77.03901	0.6
79.05473	4.5
81.03394	1.2
81.07050	3.8
83.01331	1.2
83.04971	1.6
83.08590	0.3
85.02891	0.4
85.06531	0.5
86.79730	0.3
88.53625	0.3
91.04930	0.5
91.05462	6.2
93.07027	6.3
95.04956	5.8
95.08579	3.2
97.02890	1.5
97.06529	0.6
99.04438	17.3
103.05453	1.6
105.07011	95.7
106.07370	2.2
107.04926	1.2
107.08578	4.6
109.02839	0.5
109.06489	1.5
109.10134	1.8
111.04420	17.2
111.08058	0.6
111.36980	0.3
112.04749	0.5
113.05975	0.6
115.03922	2.4
115.05454	0.7
116.06211	0.4
117.06999	6.8
119.04900	0.8
119.08556	8.0
120.08904	0.4
121.02825	0.7
121.06495	4.0
121.10121	18.1
123.04408	6.4
123.08056	1.9
123.11703	4.3
125.02327	1.8
125.05962	2.8
127.03887	1.1
128.06210	0.9
129.06958	2.4
130.07771	5.3
131.04871	0.6
131.08546	5.6
133.06505	0.6
133.10104	3.5
135.04399	3.2
135.08022	1.0
135.11641	1.9
137.05963	1.4
139.03897	1.8
139.07512	2.5
141.05429	2.3
141.06976	0.6
142.07741	2.5
143.08546	3.2
144.09271	0.4
145.06458	2.8
145.10097	55.0
146.10402	1.7
147.07999	0.9
147.11664	11.2
149.05956	21.8
149.09576	0.9
150.06351	0.4
151.03871	2.7
151.07524	1.2
153.05437	0.6
153.07001	0.5
154.07715	0.5
155.03365	0.5
155.08524	2.4
156.09308	1.3
157.10112	4.8
158.07245	0.8
159.07997	1.7
159.11659	1.9
161.05948	0.4
161.09512	0.5
161.13232	0.4
163.03908	0.7
163.07458	0.5
163.11177	3.1
165.07039	0.4
165.09053	1.8
165.16852	0.3
166.05876	0.3
167.03371	8.1
167.08524	1.6
168.09293	0.7
169.04938	34.9
169.10005	1.9
170.05292	1.0
171.07976	0.5
171.11639	0.9
173.09595	15.4
173.13248	0.7
175.07536	1.0
175.11095	0.6
177.05457	1.3
177.09113	1.2
178.17615	0.4
179.08511	1.0
181.04906	0.7
181.10136	0.6
182.10849	2.1
183.08000	0.5
183.11626	1.2
185.09630	1.7
185.13228	0.6
187.07449	0.8
187.11172	0.8
187.14803	0.9
189.09094	2.3
191.10637	100.0
192.09328	0.4
192.10941	4.4
194.10890	0.9
195.06450	0.5
195.08022	1.1
197.09587	0.7
197.13208	5.6
199.11156	0.6
199.14743	1.2
201.09073	8.1
201.12718	1.4
202.09457	0.4
203.07103	0.3
203.10638	1.5
203.14253	0.5
207.06456	0.5
207.11662	1.0
209.07976	0.4
209.13278	1.3
210.10309	1.9
211.07552	0.5
211.11234	0.4
213.05518	0.4
213.09006	0.8
213.12677	0.5
215.06982	0.5
215.10710	0.8
215.14272	3.4
219.10303	0.6
222.65755	0.3
225.12709	4.9
227.10590	0.6
227.14276	0.7
228.11458	0.9
229.08583	1.1
229.12193	1.2
231.10104	0.6
233.08138	0.7
233.15456	0.6
243.13773	40.0
244.14047	2.1
245.15295	6.3
245.17578	0.5
246.08789	1.2
246.15741	0.4
247.09531	0.8
253.12144	2.2
261.14780	2.3
261.22083	0.3
271.13257	8.3
271.20502	0.4
272.13745	0.7
289.14297	23.0
289.17615	1.3
289.21460	1.5
289.28952	0.4
290.14685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03941	0.3
55.01855	0.4
56.96544	0.4
57.03427	0.4
58.43065	0.2
61.02903	0.7
65.03911	0.3
67.26003	0.2
69.03410	1.7
70.39680	0.7
71.04961	0.3
73.02885	0.5
76.88673	0.2
77.32673	0.2
79.63299	0.2
81.03400	0.7
85.02893	4.6
89.03879	0.3
91.03973	0.3
93.03419	0.4
95.04978	0.4
97.02903	1.3
98.20715	0.2
99.04437	0.3
107.04955	0.2
109.02885	0.8
109.06509	0.7
111.04436	2.0
118.18039	0.2
123.04414	3.5
127.03902	100.0
127.07502	1.0
128.04230	1.6
135.04404	6.2
139.03879	2.8
143.00163	0.3
145.04958	0.6
149.02335	0.4
151.03914	1.6
161.01215	0.3
163.03940	1.4
167.77983	0.2
259.06015	0.7
261.02853	0.4
261.07538	0.7
267.03961	0.3
271.06027	0.4
285.04639	0.3
289.06885	1.0
289.12225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1429
Annotation	Zuurbergenin
Peak:m/z	Relative Intensity
53.03949	1.5
54.72112	0.4
55.01872	0.9
55.05509	3.5
56.64589	0.4
57.03450	0.6
67.05495	5.2
69.03436	1.9
69.07069	1.6
71.04989	2.5
71.80611	0.6
77.03912	0.5
79.05479	4.8
81.03420	1.1
81.07046	4.6
83.01346	1.2
83.04975	1.8
83.08652	0.5
91.05466	7.0
93.07035	6.2
95.04955	5.7
95.08592	3.3
96.11699	0.4
97.02894	1.7
97.06536	1.3
99.03796	1.0
99.04446	18.9
103.05470	1.9
105.07018	98.4
106.07292	2.2
107.04933	1.3
107.08579	4.8
109.02884	0.9
109.06517	1.7
109.10139	1.7
111.04430	18.4
111.08084	0.8
113.05936	0.5
115.03922	2.7
115.05459	1.3
117.07007	6.8
119.04958	1.0
119.08567	9.1
121.06493	3.9
121.10136	17.1
122.10928	0.5
123.04412	6.0
123.08047	2.0
123.11658	1.1
125.02332	1.0
125.05953	2.8
128.06154	0.9
129.06998	1.9
130.07784	5.0
131.04947	0.6
131.08545	6.3
133.06447	0.7
133.10120	3.0
135.04419	1.1
135.08037	1.7
135.11673	0.8
137.05948	1.4
139.03886	0.6
139.07553	3.1
141.05444	1.4
141.06961	0.7
142.07796	2.4
143.08562	3.7
144.09335	0.6
145.06477	3.6
145.10104	59.1
146.10527	1.6
147.07928	0.6
147.11665	11.5
148.11964	0.6
149.05959	21.2
149.09624	1.3
150.06337	0.5
151.03870	1.9
151.07529	1.5
153.05426	1.0
155.08556	3.1
156.09296	0.9
157.10121	5.2
158.07275	0.6
159.08047	1.7
159.11674	1.3
160.08791	0.4
161.05936	0.7
161.09593	0.6
163.07468	1.0
163.11172	3.1
165.05476	0.5
165.09120	2.9
167.03345	1.6
167.07201	0.5
167.08562	1.8
169.04950	42.1
169.10097	1.4
170.05217	0.7
171.07944	0.8
171.11676	0.8
172.08804	0.5
173.09602	16.5
173.13248	0.7
175.07541	1.5
175.11194	0.7
177.05466	1.3
177.09114	0.9
179.08569	1.0
182.10887	3.2
183.08078	0.7
183.11679	0.8
185.09616	1.5
185.13228	0.8
187.07477	1.3
187.14757	0.7
189.08994	3.1
191.07193	2.5
191.10648	100.0
192.10994	4.2
194.10796	0.6
195.08067	0.9
197.09723	0.5
197.13206	6.0
199.11205	0.5
199.14792	1.5
201.09117	7.6
201.12685	0.5
203.10660	1.3
207.11662	1.0
209.07941	0.7
209.13208	1.9
210.10342	1.6
211.11011	0.7
213.09084	0.9
213.12691	0.8
215.06920	0.6
215.10710	1.3
215.14340	3.0
219.06421	0.8
219.10040	0.8
219.13806	0.7
225.12737	3.8
227.14359	0.9
228.11356	0.9
229.08611	0.9
229.12077	0.8
231.10072	1.2
232.24451	0.5
233.07961	1.3
243.13774	39.2
244.14130	1.6
245.15359	7.5
247.09560	1.2
253.12222	1.1
259.11182	0.5
261.14825	2.9
271.13226	4.9
274.13406	0.9
289.14209	25.9
290.14807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.41798	0.5
51.02367	0.7
53.03925	0.4
61.72540	0.5
65.03938	1.5
67.05489	2.2
68.99776	2.6
70.51076	1.7
77.03922	0.8
81.03405	0.6
83.01352	1.4
83.05009	0.6
89.03920	2.7
91.05452	0.9
93.03400	1.8
95.04964	5.4
95.62911	0.6
105.03374	2.0
107.04932	4.9
111.00777	0.7
111.04420	5.7
115.05435	0.9
117.03365	3.4
119.04929	0.9
121.02843	1.0
123.04416	100.0
124.04763	2.3
127.03905	4.2
128.06274	0.5
129.97932	0.5
131.04936	1.7
135.04404	19.1
139.03883	29.1
141.06966	1.1
145.02832	3.5
145.06419	0.9
149.02316	8.3
151.03883	8.9
153.01799	2.4
159.04390	2.7
161.05922	0.8
163.03886	24.1
164.04280	0.7
167.03416	0.6
169.06502	1.6
177.05467	1.0
179.03252	0.8
183.71623	0.5
184.41170	0.6
185.05952	1.0
187.03859	4.2
197.05956	2.8
201.05501	0.7
205.04997	2.7
215.07018	8.3
225.05319	1.3
229.04910	0.9
231.06607	0.9
243.06483	12.3
244.06886	0.8
245.04495	2.2
253.05058	1.1
259.05890	0.7
261.07581	1.5
271.06021	8.3
289.07031	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	289.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41798	0.5
51.02367	0.7
53.03925	0.4
61.72540	0.5
65.03938	1.5
67.05489	2.2
68.99776	2.6
70.51076	1.7
77.03922	0.8
81.03405	0.6
83.01352	1.4
83.05009	0.6
89.03920	2.7
91.05452	0.9
93.03400	1.8
95.04964	5.4
95.62911	0.6
105.03374	2.0
107.04932	4.9
111.00777	0.7
111.04420	5.7
115.05435	0.9
117.03365	3.4
119.04929	0.9
121.02843	1.0
123.04416	100.0
124.04763	2.3
127.03905	4.2
128.06274	0.5
129.97932	0.5
131.04936	1.7
135.04404	19.1
139.03883	29.1
141.06966	1.1
145.02832	3.5
145.06419	0.9
149.02316	8.3
151.03883	8.9
153.01799	2.4
159.04390	2.7
161.05922	0.8
163.03886	24.1
164.04280	0.7
167.03416	0.6
169.06502	1.6
177.05467	1.0
179.03252	0.8
183.71623	0.5
184.41170	0.6
185.05952	1.0
187.03859	4.2
197.05956	2.8
201.05501	0.7
205.04997	2.7
215.07018	8.3
225.05319	1.3
229.04910	0.9
231.06607	0.9
243.06483	12.3
244.06886	0.8
245.04495	2.2
253.05058	1.1
259.05890	0.7
261.07581	1.5
271.06021	8.3
289.07031	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	289.0702
Annotation	2,7-Dihydroxy-1,8-dimethoxyxanthone
Peak:m/z	Relative Intensity
51.22571	0.4
51.66935	0.4
55.01848	0.6
55.05505	2.4
57.07076	0.7
58.49900	0.4
61.63726	0.4
65.03931	1.3
67.05489	1.4
68.99780	1.7
69.03423	0.8
69.07044	1.0
71.79855	0.7
79.05466	1.5
81.03394	0.7
81.07056	2.1
83.01331	1.0
83.08619	2.8
84.40479	0.5
85.06522	0.4
86.48316	0.5
87.04454	1.6
87.08019	0.4
89.03893	0.4
91.05450	1.4
92.02619	3.0
93.03391	1.3
93.07043	2.3
95.04945	1.6
95.08602	1.4
97.06521	0.7
103.05475	0.5
105.07014	1.9
107.01313	1.2
107.04927	1.5
107.08609	2.1
109.02921	0.6
109.06506	1.1
109.10132	1.2
111.00745	0.4
111.04426	5.7
117.03334	1.0
117.07013	0.5
119.08560	1.4
121.02851	2.4
121.06515	2.4
121.07220	0.4
121.10126	1.9
123.04411	8.7
123.08057	0.5
123.11668	0.8
125.09705	0.9
127.03857	2.7
131.04897	1.3
131.08553	1.0
133.10103	1.5
134.86218	0.4
135.04407	16.5
135.08006	2.0
135.11690	0.7
137.02328	1.3
139.03880	9.0
141.07036	0.6
144.05727	0.7
145.10063	1.2
147.08023	0.6
147.11685	0.7
149.02327	1.1
149.05934	1.0
149.09590	0.5
151.03896	2.9
153.01793	1.7
155.08530	0.5
157.10106	0.5
159.04361	0.6
159.08095	0.8
159.11696	0.9
161.05853	0.4
163.03880	4.1
163.07497	0.6
163.11150	0.5
167.03459	0.5
167.07005	1.6
169.04924	1.4
171.04439	1.6
172.05205	2.2
172.11183	0.5
173.09615	1.4
177.05426	2.5
179.03368	0.7
179.07088	0.5
183.11725	0.7
187.03888	3.7
187.11201	0.7
188.11884	0.7
191.03340	0.9
197.05954	0.6
200.04659	6.8
201.05391	0.6
201.09140	0.6
203.07033	0.5
205.04953	3.7
215.03407	2.1
215.10521	0.5
217.05049	0.6
219.02882	0.6
228.04146	33.5
228.23277	0.9
229.04872	0.8
229.08585	0.5
229.12138	0.8
231.02837	1.0
231.06464	0.7
231.13759	2.6
233.04419	3.9
243.02817	0.5
243.06439	4.2
243.13692	0.7
244.03664	0.6
245.04417	3.9
247.02336	0.6
247.16959	1.2
256.03647	28.6
257.04172	1.0
259.02344	1.6
259.06027	1.1
260.02930	0.6
261.03909	26.1
261.07437	1.9
261.14874	0.6
261.18365	0.6
271.05969	6.5
271.13330	1.2
271.16971	1.0
273.03922	2.6
274.04684	21.6
288.25348	0.9
289.03403	100.0
289.07004	89.7
289.17932	10.4
289.21176	0.9
289.25470	1.9
290.03687	3.5
290.07312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Swertinin
Peak:m/z	Relative Intensity
55.75441	0.2
56.47299	0.2
60.67136	0.2
65.03987	0.6
65.08353	0.2
67.05521	0.2
68.22071	0.2
68.99843	0.7
70.10169	0.6
70.10582	0.5
70.56465	0.2
75.21954	0.2
81.03460	0.2
81.07085	0.3
85.02962	0.2
91.05531	0.4
93.03455	0.4
95.05025	0.3
97.03016	0.2
107.05013	0.5
109.10213	0.2
111.04424	2.0
114.86121	0.2
115.05529	0.3
117.06989	0.2
119.08627	0.3
121.10180	0.3
123.04421	3.5
127.03903	1.3
131.04982	0.3
135.04405	6.7
136.04715	0.2
137.02380	0.5
139.03888	3.3
141.06993	0.5
145.06552	0.2
147.04532	0.2
149.02371	0.5
151.03897	1.4
153.01898	0.6
159.04453	0.3
161.05911	0.2
163.03882	1.5
164.07106	0.2
165.01913	0.3
169.05147	0.3
169.06564	0.7
171.04469	0.4
173.06055	0.3
175.07539	0.4
187.03978	0.5
197.05972	1.3
199.03902	0.5
200.04617	1.5
201.05482	0.7
203.07074	0.5
211.03969	0.2
213.05534	0.3
215.03444	0.2
215.07048	0.9
219.06471	0.3
225.05495	1.3
225.12758	0.4
227.03429	0.5
228.04199	0.9
229.04919	3.6
231.06519	0.4
242.05768	0.4
243.02873	0.7
243.06505	6.8
244.06972	0.3
245.04395	0.4
247.06088	0.7
251.99596	0.2
253.04948	3.6
254.05524	0.3
256.03711	1.3
259.06027	0.3
261.07535	0.6
271.05981	100.0
272.06302	5.3
273.03979	0.2
274.04733	0.3
289.03720	0.4
289.07019	6.2
289.14301	0.6
289.17957	1.0
290.07312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	Laxanthone I
Peak:m/z	Relative Intensity
50.59101	0.2
68.99744	0.2
71.23649	0.7
79.05442	0.2
80.13448	0.2
80.41530	0.2
89.03872	0.5
90.47134	0.2
107.04884	0.3
111.00735	0.4
111.04376	0.6
111.60912	0.2
117.03294	0.8
123.04357	1.0
127.03839	0.3
135.04387	2.3
139.03912	1.1
145.02762	1.0
151.03819	0.5
153.01808	8.8
163.03879	5.1
164.06981	0.9
171.02846	0.6
177.05319	0.3
179.03360	0.3
193.29721	0.3
200.04572	0.5
203.03403	1.3
216.04138	0.3
217.04910	0.4
228.04123	1.0
229.04976	0.9
231.02834	9.6
232.03542	0.5
243.06383	0.9
244.03807	0.3
245.04408	2.1
246.05182	2.0
253.04793	0.5
256.03577	0.6
257.04361	0.6
258.05173	0.3
259.02325	15.5
260.03104	0.9
261.07593	0.3
271.02939	0.5
271.05969	11.8
273.03928	3.9
274.04669	44.0
275.04916	0.7
289.07019	100.0
290.07367	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Swertinin
Peak:m/z	Relative Intensity
55.14897	0.1
65.03907	0.3
68.99776	0.2
69.03416	1.2
70.89090	0.6
79.05460	0.3
81.07016	0.3
84.04472	0.3
89.03875	0.3
91.05439	0.2
92.99770	0.3
93.03356	0.5
93.07008	0.2
95.04921	0.2
105.06962	0.2
107.08562	0.2
111.04424	1.7
114.15161	0.2
117.03358	1.4
121.02852	0.3
123.04401	2.0
127.03853	0.6
135.04405	4.0
137.01320	0.2
137.02309	3.0
139.03877	2.1
141.06943	0.5
147.04411	0.2
149.02310	0.3
149.05724	0.2
151.03874	0.9
163.03889	0.8
165.94992	0.2
168.04149	0.2
169.06396	0.3
171.04378	0.7
177.05446	0.2
187.35649	0.2
197.05946	2.4
199.03824	1.0
200.04599	0.2
201.05417	0.4
203.03355	7.7
215.07043	1.0
218.08247	0.2
221.04439	1.3
225.05444	3.8
227.03337	0.5
228.04150	2.0
229.01311	1.7
229.04831	0.9
231.06435	0.2
243.06519	6.5
245.04369	0.5
247.02365	8.0
247.06093	0.5
253.04926	4.4
261.07520	0.2
271.05972	100.0
272.06296	2.4
274.04761	0.2
289.07025	25.2
289.17914	0.6
290.07425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
63.60295	0.8
65.03928	2.5
67.01855	1.6
67.05492	1.0
68.80572	0.8
68.99767	4.9
69.03404	1.1
69.84633	3.4
69.85063	3.5
79.05476	2.3
81.89515	0.8
91.05474	2.0
93.03345	0.8
93.07063	1.2
94.14772	0.9
94.20840	1.1
95.04968	3.3
97.02871	1.3
107.04940	73.7
111.04417	6.1
119.04935	1.4
121.02845	11.1
121.06524	1.4
123.04404	5.2
126.67564	1.0
127.03845	1.9
131.04904	1.0
131.08534	1.5
135.04401	12.8
139.03874	7.4
141.07002	2.7
147.04366	1.1
147.08070	1.5
149.02321	73.0
150.02721	2.7
151.03912	3.0
153.01807	100.0
154.02179	3.0
159.08084	1.2
163.03883	2.9
167.03375	9.2
169.06499	4.3
186.61833	0.9
187.07584	1.9
195.02878	10.7
197.05898	6.6
197.51263	0.9
201.05553	1.1
209.16106	0.9
215.07005	68.3
216.07333	2.3
217.12193	1.0
225.05560	1.4
229.05214	1.1
235.13272	1.3
242.05710	1.8
243.06508	66.1
244.07004	2.5
261.07483	1.0
266.75092	1.0
271.05981	25.2
272.06274	1.7
289.07053	21.3
289.18118	1.0
290.07376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
55.05259	2.0
55.05502	17.9
57.03437	6.8
57.07056	4.4
65.03922	1.8
67.05495	50.7
68.99759	2.5
69.03415	2.3
69.07060	26.2
71.04985	12.4
71.08609	1.6
71.82076	2.1
79.05486	22.1
81.03411	1.5
81.07047	58.5
82.07369	2.0
83.04958	3.2
83.08609	18.8
85.06528	4.7
91.05460	16.3
93.07031	35.3
95.04945	4.0
95.08591	56.6
97.06511	11.4
97.10151	9.5
97.15030	1.4
99.08071	3.0
101.05969	1.3
105.03372	4.3
105.07004	11.7
107.08571	27.9
107.17481	1.3
109.06493	4.7
109.10136	32.2
110.10429	1.2
111.08082	6.2
111.11715	3.1
115.07522	1.3
117.06994	5.7
117.11796	1.3
119.08562	13.3
121.02832	4.2
121.06473	4.3
121.10121	19.4
123.08063	7.0
123.11696	17.3
125.09612	2.1
131.08536	9.6
133.10104	17.6
134.89984	1.5
135.08023	5.8
135.11681	14.5
137.02318	2.9
137.05907	2.7
137.09613	8.8
137.13184	3.2
139.07512	2.1
141.09091	3.6
145.10080	8.6
147.04346	4.5
147.11668	6.0
149.09583	3.3
149.13231	21.0
151.11153	8.4
152.51503	1.4
153.01819	5.9
153.09081	3.8
155.10660	2.5
159.11703	11.1
161.13261	2.0
163.11115	2.1
165.05461	25.1
165.12679	1.6
167.10658	2.3
167.14262	6.4
172.39417	1.4
173.13222	5.3
177.01816	4.1
177.12662	4.0
179.07004	1.8
181.12288	2.5
187.14816	2.1
189.16394	2.9
191.17960	5.7
195.13808	5.9
201.16545	3.2
205.19563	1.7
213.05389	5.1
215.17914	22.6
225.79144	1.3
227.06987	1.4
231.06497	2.1
231.15865	17.1
233.18951	12.2
241.04947	3.9
244.03590	1.5
251.20042	20.0
259.05948	4.0
269.04376	2.2
269.17679	3.9
269.21039	24.8
287.05463	100.0
287.13254	3.0
287.16220	6.7
287.18863	20.9
287.23459	3.1
288.05801	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	287.1636
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03934	0.6
53.39677	0.2
53.83565	0.1
55.01863	1.1
55.05499	1.7
57.07047	0.6
59.13404	0.1
62.47781	0.2
65.03938	0.5
66.04638	0.2
67.05497	1.8
68.36204	0.2
69.03047	0.2
69.03415	4.5
69.07057	1.4
69.45608	0.2
69.80489	1.3
79.05480	2.1
81.03407	1.3
81.07040	5.0
81.87759	0.2
83.01324	2.6
83.04954	0.3
83.08617	0.3
85.02922	0.2
91.05467	3.2
93.07030	3.0
95.04974	1.3
95.08590	1.5
97.10145	0.2
101.21231	0.2
105.06998	1.6
107.04929	0.4
107.08574	2.6
107.23789	0.2
109.02858	2.8
109.06503	7.1
109.10134	3.3
115.05393	0.2
117.07009	0.3
119.04942	1.0
119.08554	0.9
121.06483	0.9
121.10105	0.8
121.81941	0.2
123.04365	0.9
123.08076	1.1
123.11685	11.4
124.12037	0.4
125.05973	0.4
127.03881	2.2
128.06241	0.2
129.06981	0.3
131.08577	0.3
133.06459	0.3
133.10075	0.8
135.07997	0.4
135.11670	2.5
137.05956	9.7
138.06277	0.2
139.03889	1.0
141.05444	2.2
142.07671	0.2
143.08485	0.3
145.10043	0.2
147.04382	0.5
147.08031	0.5
147.11618	0.4
149.05890	0.3
151.07536	2.4
153.05447	8.5
157.10126	0.4
159.08025	0.3
161.05980	0.6
161.09618	0.4
163.07527	0.9
165.05450	100.0
166.05780	2.1
167.07034	1.2
167.08395	0.3
174.06714	0.2
175.07530	1.2
175.11192	0.2
177.05428	1.0
177.09052	0.5
179.07005	30.3
180.07272	1.0
185.09615	0.4
185.13193	0.2
188.08270	0.5
189.05408	0.9
189.09105	0.5
190.06192	0.6
191.06984	1.9
193.08621	1.2
199.31441	0.2
201.09135	0.3
203.07002	4.0
203.10535	0.8
204.07700	0.4
205.08568	5.9
207.06454	0.3
207.10188	0.8
213.09012	0.6
216.07813	0.2
217.08565	1.6
218.09297	0.3
219.10129	1.2
221.08014	0.3
227.10599	0.2
227.42758	0.2
231.10129	13.0
232.10509	0.6
233.11926	0.2
241.15962	0.2
244.11037	0.3
245.11653	1.4
253.41287	0.2
261.21176	0.2
266.63159	0.2
269.15430	0.9
287.16373	73.0
288.16708	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	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03934	0.6
54.01596	0.6
55.01866	0.6
55.05496	0.6
55.14467	0.5
58.39223	0.5
61.28011	0.5
67.05482	0.9
69.03387	0.6
79.05470	1.2
81.03387	0.8
81.07042	4.4
83.01357	0.6
85.58209	0.6
87.23642	0.5
91.05454	1.7
93.07008	0.7
95.08573	0.8
103.76915	0.5
107.08578	0.6
109.02859	1.1
109.06498	5.3
109.10126	1.8
117.03613	0.5
121.10158	0.5
121.23438	0.5
123.11684	12.1
127.03863	1.0
128.85797	0.5
135.11621	1.4
137.05960	7.4
148.43771	0.5
151.07500	0.6
153.05453	1.6
165.05450	100.0
166.05750	3.0
167.06906	0.7
179.07013	3.0
191.07027	0.6
203.06987	1.1
203.77760	0.5
205.08549	1.2
207.10097	0.6
264.23575	0.6
271.44006	0.6
287.16376	39.5
288.16711	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	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
50.04325	0.1
50.75564	0.2
53.03935	0.6
53.08494	0.2
53.39660	0.2
53.54946	0.2
55.01857	1.1
55.05502	2.6
57.07067	0.4
65.03921	0.4
67.05494	2.6
69.03422	6.2
69.07061	1.7
70.26942	0.2
70.27229	0.8
79.05481	2.2
81.03424	1.2
81.07048	5.4
83.01325	3.0
83.04970	0.3
83.08607	0.5
85.02879	0.3
91.05474	3.0
93.03391	0.3
93.07030	3.8
95.04958	1.6
95.08590	2.2
97.02841	0.2
97.06528	0.2
97.10212	0.2
98.20605	0.2
104.51200	0.2
105.03374	0.2
105.07026	1.7
107.04945	0.4
107.08578	2.8
109.02860	2.6
109.06506	7.3
109.10132	3.2
111.04442	0.3
115.05470	0.3
117.07051	0.2
119.04900	1.0
119.08573	0.8
121.06475	1.1
121.10137	0.8
123.04378	1.0
123.08066	1.2
123.11692	10.5
124.12025	0.4
125.05991	0.4
127.03901	2.2
129.06012	0.2
129.07018	0.4
131.08524	0.3
133.06474	0.6
133.10104	1.2
135.08041	0.5
135.11674	2.8
137.05962	8.9
139.03880	1.2
141.05438	2.5
142.07730	0.4
143.08551	0.3
145.10103	0.4
147.04401	0.5
147.08038	0.8
147.11676	0.3
147.59592	0.2
149.05966	0.4
149.09593	0.3
149.13112	0.2
151.07520	2.3
153.05450	10.0
154.05765	0.3
157.10101	0.6
160.08801	0.3
161.05968	1.1
161.09601	0.4
163.07530	1.2
164.04671	0.2
165.05455	100.0
166.05792	3.2
167.07002	1.4
169.39485	0.2
175.07552	1.3
175.11166	0.5
175.14894	0.2
177.05455	1.6
177.09094	0.5
179.07011	39.4
180.07379	1.1
181.08617	0.3
185.09558	0.8
187.07558	0.2
188.08272	0.7
189.05444	1.1
189.07088	0.2
189.09027	0.9
190.06242	0.8
191.07016	1.9
193.08592	1.6
198.06604	0.2
199.11108	0.3
203.07007	5.1
203.10648	1.0
204.07524	0.4
205.08582	7.0
206.09021	0.3
207.06554	0.4
207.10168	1.1
213.09039	0.7
217.08548	1.7
218.09346	0.2
219.10075	1.5
221.08070	0.5
227.10583	0.3
229.08566	0.3
229.12241	0.2
231.10132	15.8
232.10513	1.0
241.15826	0.2
243.10181	0.4
244.10881	0.3
245.11713	2.3
245.15390	0.2
269.15494	1.0
275.93030	0.2
287.16376	90.0
288.16711	6.2
288.19235	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	287.1635
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
50.56189	0.1
53.03928	0.4
55.01850	0.7
55.05493	0.2
57.07057	0.3
62.56352	0.1
65.03941	0.3
66.02991	0.1
67.05479	0.8
67.36790	0.1
69.03405	0.3
69.07054	0.5
70.04103	0.3
70.04538	0.2
72.45111	0.1
77.03923	0.1
79.05479	1.3
81.03399	0.8
81.07040	3.6
83.01336	0.7
83.04944	0.1
86.90318	0.1
91.05457	1.6
93.07013	0.6
95.04948	0.4
95.08561	0.5
95.15104	0.1
105.06999	0.5
107.08563	0.8
109.02859	1.5
109.06496	5.4
109.10146	1.2
110.06815	0.1
119.04921	0.7
119.08566	0.2
121.10125	0.4
122.10992	0.1
123.11681	12.7
124.12015	0.4
125.09648	0.2
127.03889	1.6
133.10104	0.2
135.08057	0.1
135.11664	1.5
137.05952	7.4
139.03893	0.2
141.05449	0.2
145.10107	0.1
147.04391	0.4
147.11662	0.3
149.05995	0.1
149.13263	0.1
151.07518	0.6
153.05438	1.9
157.10045	0.1
163.07542	0.7
165.05444	100.0
166.05772	2.7
166.07211	0.2
167.06985	0.7
175.07533	0.2
177.05408	0.2
177.09024	0.1
179.07010	1.2
183.06526	0.2
185.09511	0.1
189.05446	0.2
189.09100	0.2
191.07018	0.3
193.08522	0.4
203.07080	0.4
203.10587	0.1
205.08510	0.6
207.10187	0.3
217.08540	0.2
219.10068	0.1
223.14844	0.1
227.10582	0.2
231.10085	0.7
241.15784	0.1
245.11693	0.2
254.12894	0.1
259.17102	0.1
269.15317	1.0
287.16360	29.3
288.13507	0.1
288.16669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1636
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
52.55330	0.1
53.03930	0.3
55.01847	0.8
55.05502	0.3
57.07064	0.3
58.53405	0.1
65.03935	0.3
65.38613	0.1
66.82112	0.1
67.05496	0.9
69.03417	0.3
69.07050	0.7
69.80404	0.7
69.80802	0.2
79.05480	1.2
81.03397	1.1
81.07043	4.2
83.01321	0.9
84.86690	0.1
91.05467	2.0
91.73277	0.1
93.07018	0.7
95.04941	0.5
95.08603	1.0
101.93932	0.1
105.04491	0.1
105.06996	0.4
107.08591	1.0
109.02866	2.0
109.06503	5.7
109.10134	2.4
119.04913	0.8
119.08556	0.3
121.10106	0.3
123.08053	0.2
123.11688	11.0
124.12013	0.3
125.09604	0.1
127.03887	1.8
133.10117	0.3
135.08058	0.2
135.11664	1.6
137.05954	8.1
138.06299	0.2
139.03929	0.3
147.04355	0.3
147.11583	0.2
149.05896	0.1
149.13229	0.1
151.07492	0.8
153.05460	1.8
161.05974	0.2
163.07538	0.9
165.05452	100.0
166.05785	3.1
167.06984	0.8
171.07968	0.1
175.07521	0.2
177.05423	0.4
177.08957	0.1
179.07033	1.7
183.06584	0.2
189.05458	0.2
189.09146	0.1
191.07019	0.3
193.08559	0.2
203.07080	0.6
205.08496	0.6
206.08127	0.2
207.10184	0.2
213.09097	0.2
217.08591	0.3
227.10539	0.1
231.10110	0.6
245.11610	0.2
259.13327	0.1
269.15320	0.7
287.16373	36.6
288.16693	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
51.02380	0.1
51.93834	0.1
53.03929	0.5
55.01854	0.8
55.05498	0.2
57.07050	0.2
65.03937	0.3
67.05503	0.9
69.03423	0.2
69.07052	0.7
69.97604	0.5
77.03960	0.1
79.05480	1.4
81.03403	1.0
81.07045	4.1
83.01321	0.8
83.04985	0.1
91.05467	1.7
93.07032	0.6
95.04950	0.5
95.08593	0.8
105.07008	0.6
107.08576	0.9
109.02869	2.1
109.06505	6.3
109.10143	2.0
110.06780	0.1
111.04380	0.1
119.04934	0.7
119.08591	0.1
121.06431	0.1
121.10106	0.3
122.10813	0.1
123.04409	0.1
123.08044	0.2
123.11691	11.7
124.12012	0.3
125.05995	0.1
125.09572	0.1
127.03901	1.8
133.10101	0.2
135.08037	0.2
135.11665	1.3
137.05960	8.8
138.06274	0.1
139.03847	0.4
141.05383	0.1
142.07739	0.1
143.08533	0.1
145.10072	0.1
147.04347	0.4
147.11676	0.3
149.13260	0.1
151.07518	0.7
153.05460	1.8
157.10103	0.1
162.06883	0.1
163.07541	0.8
165.05457	100.0
166.05783	2.7
167.06999	0.5
175.07521	0.2
177.05458	0.3
179.07025	1.5
179.08443	0.1
183.06459	0.2
189.05368	0.2
189.09221	0.1
191.07002	0.4
193.08562	0.4
199.11183	0.1
203.07043	0.5
205.08563	0.3
207.10146	0.3
213.09055	0.2
217.08572	0.3
227.10542	0.2
229.12523	0.1
231.10123	0.7
245.11653	0.3
251.00182	0.1
269.15378	0.7
287.16382	32.4
288.16714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1635
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03931	0.7
55.01871	1.1
55.05501	2.7
57.07068	0.3
58.91574	0.2
63.85870	0.2
65.03923	0.6
66.45042	0.2
67.05492	2.8
69.03414	7.5
69.07056	1.6
71.25701	0.5
79.05478	1.9
81.03414	1.3
81.07040	4.3
83.01324	3.5
83.04951	0.6
83.08592	0.4
91.05463	2.7
93.07028	4.0
95.04949	1.9
95.08583	1.8
105.07025	1.5
107.04932	0.6
107.08578	3.1
109.02866	2.1
109.06497	5.8
109.10132	3.3
110.06816	0.2
111.04440	0.4
115.05435	0.2
117.07025	0.3
119.04922	0.8
119.08554	0.9
121.06487	1.3
121.10156	0.9
123.04395	1.1
123.08051	1.5
123.10764	0.3
123.11683	6.5
124.12016	0.2
125.05972	0.7
127.03889	1.9
129.06984	0.4
131.08511	0.4
133.06461	0.8
133.10127	1.3
135.08041	0.5
135.11671	2.7
137.05956	6.9
138.06329	0.3
139.03874	1.4
141.05438	2.6
142.07748	0.5
143.08522	0.5
147.04393	0.5
147.08052	1.0
147.11688	0.6
149.05919	0.7
149.09622	0.4
149.13181	0.2
151.07521	2.9
153.05447	10.4
154.05838	0.3
157.10097	1.0
159.08000	0.4
161.05936	1.0
161.09618	0.6
163.07533	1.0
165.05446	73.2
166.05779	2.2
167.07002	1.0
171.08078	0.2
175.07556	1.4
175.11162	0.8
177.05438	1.3
177.09059	0.5
179.07001	50.4
180.07343	1.9
181.08638	0.2
183.06618	0.2
185.09558	0.9
187.07607	0.2
188.08296	0.8
189.05405	1.5
189.09096	1.0
190.06282	1.0
191.07018	2.4
193.08592	1.2
201.09135	0.3
203.06998	6.5
203.10562	1.3
203.14279	0.3
204.07611	0.7
205.08562	9.8
206.08917	0.4
207.06442	0.3
207.10150	1.0
213.09096	0.6
217.08571	2.5
217.12007	0.3
218.09372	0.3
219.10075	1.9
221.08084	0.6
227.10619	0.4
231.10121	21.8
232.10387	0.9
243.10081	0.3
245.11688	2.9
269.15314	0.6
287.16367	100.0
288.16690	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	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
51.02379	0.1
53.03921	0.3
55.01860	0.7
55.05503	0.5
57.07063	0.2
59.24064	0.1
65.03917	0.4
67.05495	1.1
69.03426	0.6
69.07056	0.7
70.03972	0.3
77.03944	0.1
79.05477	1.5
81.03410	1.0
81.07047	4.1
82.07351	0.1
83.01327	1.0
83.04970	0.2
83.08615	0.1
91.05470	1.7
93.03375	0.1
93.07031	1.0
95.04948	0.6
95.08592	0.7
97.10173	0.1
103.05466	0.1
105.07010	0.7
107.04932	0.1
107.08585	1.2
109.02869	1.9
109.06506	6.6
109.10150	1.5
109.10881	0.0
110.06840	0.1
111.04436	0.1
117.07068	0.1
119.04919	0.8
119.08578	0.3
121.06480	0.2
121.10132	0.3
122.10977	0.1
123.04416	0.2
123.08086	0.2
123.11692	13.3
123.69476	0.1
124.12064	0.4
125.05972	0.2
125.09646	0.1
127.03905	1.8
129.07013	0.1
131.08531	0.1
133.06499	0.1
133.10126	0.3
135.08038	0.2
135.11678	1.9
136.11998	0.1
137.05962	8.4
138.06328	0.2
139.03815	0.3
141.05470	0.3
142.07727	0.1
143.08517	0.1
145.10085	0.1
147.04404	0.5
147.08041	0.1
147.11662	0.2
149.05994	0.2
149.13226	0.1
151.07501	0.6
153.05453	3.0
157.10101	0.1
159.08183	0.1
161.05986	0.2
161.09590	0.1
163.07545	0.8
165.05458	100.0
166.05785	3.0
167.07030	0.8
171.07970	0.1
174.06836	0.1
175.07527	0.3
175.11148	0.1
177.05452	0.6
177.09082	0.2
179.07014	4.0
180.07379	0.1
181.10097	0.1
183.06508	0.2
185.09514	0.1
188.08250	0.1
189.05406	0.4
189.09131	0.2
190.06256	0.1
191.07040	0.5
193.08589	0.4
199.11160	0.1
203.07048	1.2
203.10593	0.2
204.07683	0.1
205.08551	1.1
207.10184	0.3
213.09061	0.2
217.08574	0.4
219.10036	0.3
227.10652	0.3
229.08617	0.1
231.10153	1.8
244.10970	0.1
245.11649	0.5
259.16998	0.1
269.15326	1.0
287.16382	32.3
288.16708	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03938	0.4
54.53610	0.1
55.01859	1.1
55.05262	0.2
55.05503	2.8
57.07045	0.4
65.03925	0.6
67.01929	0.1
67.05495	2.8
69.03417	8.1
69.07056	2.0
69.20077	0.1
69.62303	0.3
69.62707	1.0
79.05486	1.9
81.03410	1.0
81.06599	0.2
81.07047	4.2
83.01321	2.9
83.04955	0.6
83.08610	0.6
85.02905	0.2
88.74882	0.2
91.05466	2.3
93.07028	4.1
95.04955	1.8
95.08594	2.1
97.06496	0.2
97.10141	0.3
98.21424	0.3
105.07019	2.0
107.04948	0.5
107.08578	3.6
109.02866	2.1
109.06499	5.4
109.10144	3.2
111.04403	0.4
115.05418	0.3
117.06994	0.4
119.04923	0.7
119.08573	1.2
121.06475	1.5
121.10129	1.0
123.04382	1.3
123.08044	1.7
123.11690	5.7
125.05974	0.5
127.03899	1.9
128.06233	0.2
129.06996	0.5
131.08533	0.3
133.06511	0.7
133.10139	1.1
135.08061	0.7
135.11667	2.7
137.05949	6.1
139.03867	2.1
141.05431	3.0
142.07753	0.8
143.08542	0.5
145.06487	0.2
145.10060	0.4
147.04385	0.5
147.08061	1.2
147.11646	0.4
149.05965	0.5
149.09613	0.4
149.13242	0.2
151.07523	3.0
153.05441	10.6
154.05820	0.3
155.08502	0.2
156.09369	0.2
157.10062	0.8
160.08861	0.2
161.05917	1.0
161.09546	0.5
161.13283	0.2
162.06729	0.3
163.07594	0.7
163.33978	0.2
165.05447	64.5
166.05782	1.8
167.07034	1.1
167.08495	0.4
171.07980	0.2
173.09543	0.2
175.07535	1.8
175.11171	0.9
176.04654	0.2
177.05438	1.4
177.09076	0.5
179.07002	54.6
180.07344	1.5
181.08556	0.2
181.10027	0.2
183.06508	0.2
185.09590	1.1
187.07515	0.5
188.08293	0.9
189.05435	1.6
189.09073	1.1
190.06200	1.0
191.07014	2.4
193.08594	1.6
195.08008	0.3
198.06667	0.2
199.11142	0.3
201.09119	0.3
202.09857	0.2
203.06993	6.7
203.10606	1.7
203.14201	0.2
204.07625	0.8
205.08559	10.7
206.08960	0.5
207.06529	0.3
207.10059	1.1
208.12419	0.2
209.09624	0.2
213.09059	0.9
216.07904	0.2
217.08554	2.1
218.09222	0.2
219.10123	1.7
221.08080	0.7
227.10574	0.4
229.08598	0.4
231.10121	23.1
232.10524	1.2
233.11559	0.2
243.10062	0.3
244.10922	0.2
245.11668	2.9
269.15375	0.4
287.16367	100.0
288.13452	0.3
288.16702	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1638
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
51.02386	0.1
52.70851	0.1
53.03921	0.3
55.01847	0.7
55.05500	0.2
57.07063	0.2
59.03609	0.1
59.39634	0.1
65.03922	0.4
67.05495	0.7
69.03413	0.2
69.07044	0.4
70.04128	0.4
77.03908	0.1
79.05477	1.3
81.03405	0.9
81.07045	3.9
83.01324	0.7
91.05470	1.5
92.05767	0.1
93.07022	0.5
95.04954	0.5
95.08598	0.6
105.07018	0.5
107.08582	0.7
109.02253	0.0
109.02864	1.8
109.06503	6.1
109.10138	0.9
110.06844	0.1
119.04912	0.7
119.08578	0.2
121.06464	0.1
121.10152	0.2
123.04414	0.1
123.11689	12.4
124.12013	0.4
125.06029	0.1
125.09641	0.1
127.03901	2.0
127.07446	0.1
133.10118	0.2
135.08038	0.2
135.11662	1.4
137.05959	7.8
137.09569	0.1
138.06323	0.2
139.03873	0.3
141.05455	0.1
143.08481	0.1
145.10124	0.1
147.04375	0.4
147.11655	0.3
149.05934	0.1
149.13261	0.1
151.07500	0.7
153.05455	1.6
154.05798	0.1
157.10130	0.1
161.05937	0.1
163.07541	1.0
165.05455	100.0
166.05792	3.0
167.06946	0.5
168.07350	0.1
177.05492	0.1
178.08655	0.1
179.07019	1.1
183.06532	0.2
189.05470	0.1
191.07036	0.2
193.08562	0.2
199.11211	0.1
203.07062	0.3
205.08513	0.4
206.08075	0.1
207.10210	0.3
213.09064	0.1
227.10567	0.1
231.10184	0.6
245.11794	0.1
269.15298	0.8
287.16376	28.4
288.16721	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	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
50.01569	0.1
53.03938	0.4
55.01851	0.8
55.05504	0.5
57.07058	0.5
65.03918	0.4
65.12558	0.1
67.05490	1.2
69.03415	0.9
69.07053	0.6
71.81406	0.2
74.09693	0.1
74.57715	0.1
79.05479	1.4
81.03413	1.1
81.07043	4.5
83.01324	1.1
83.04942	0.2
91.05469	1.8
92.05753	0.1
93.07026	1.1
95.04962	0.6
95.08602	1.1
104.04458	0.1
105.07021	1.0
107.08584	1.1
109.02865	1.4
109.06503	7.0
109.10131	1.7
117.06985	0.2
119.04931	0.5
119.08580	0.5
121.02882	0.2
121.06459	0.2
121.10095	0.5
123.04397	0.2
123.08029	0.4
123.11689	12.9
124.12046	0.3
127.03893	2.1
131.08568	0.2
133.10114	0.5
133.29694	0.1
135.08144	0.2
135.11665	1.6
136.11995	0.1
137.05959	8.1
137.09581	0.2
138.06320	0.2
139.03888	0.6
141.05464	0.4
142.07707	0.2
143.08504	0.3
145.06702	0.1
145.10138	0.3
147.04390	0.4
147.08089	0.1
147.11644	0.5
147.43199	0.1
149.05869	0.1
149.09631	0.1
149.13235	0.2
151.07526	0.5
153.05453	2.1
157.10077	0.2
161.06058	0.2
161.09651	0.2
163.07521	0.9
163.11082	0.1
165.05452	100.0
166.05791	2.4
167.06975	0.7
171.08055	0.1
171.11540	0.1
175.07536	0.5
175.11224	0.2
177.05429	0.4
177.09065	0.1
179.07007	4.1
180.07265	0.2
183.06450	0.4
185.09602	0.3
187.14717	0.1
189.05420	0.2
189.09096	0.3
191.01958	0.1
191.07082	0.6
193.04973	0.4
193.08530	0.4
199.11150	0.1
203.07008	1.0
203.10590	0.3
204.07692	0.1
205.08566	1.3
207.10165	0.5
213.09041	0.2
213.12596	0.1
217.08554	0.4
217.12065	0.1
219.10129	0.2
221.08122	0.2
227.10641	0.3
229.08508	0.2
231.10110	2.0
241.15819	0.2
245.11552	0.6
269.11850	0.2
269.15323	1.3
269.18140	0.2
287.05704	1.1
287.16364	32.9
288.16727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03930	0.4
55.01852	0.8
55.05489	0.6
57.07058	0.4
65.03930	0.3
67.05490	1.1
69.03429	0.8
69.03733	0.1
69.07054	1.0
69.71913	1.0
71.04977	0.1
77.06511	0.1
79.05480	1.2
81.03413	1.3
81.07046	4.1
82.34693	0.1
83.01333	0.9
83.04933	0.2
91.05479	2.1
93.07020	1.2
95.04931	0.4
95.08607	1.0
105.07014	1.0
107.08582	0.9
109.02861	1.7
109.06502	6.2
109.10138	1.6
110.06854	0.2
119.04922	0.6
119.08564	0.5
121.06488	0.3
121.10117	1.5
123.04381	0.2
123.11687	11.9
124.12035	0.3
125.05971	0.2
127.03899	2.3
131.08549	0.2
133.10124	0.4
135.08011	0.2
135.11684	1.8
137.05952	8.5
137.09619	0.2
139.03856	0.5
141.05487	0.2
147.04356	0.3
147.08049	0.2
147.11690	0.3
149.13222	0.2
151.07516	0.6
152.48834	0.2
153.05450	2.3
154.04356	0.1
159.08006	0.1
161.09584	0.2
163.07498	0.7
165.05452	100.0
166.05763	2.9
167.07025	0.8
171.11650	0.2
175.07574	0.5
175.11241	0.2
177.05435	0.3
179.07008	4.3
183.06541	0.2
189.05426	0.3
189.09038	0.2
190.06154	0.2
191.07030	0.6
193.08517	0.3
199.11108	0.2
199.21556	0.1
203.07031	1.0
203.10670	0.2
205.08556	1.1
207.10211	0.6
211.40874	0.1
217.08575	0.4
219.10049	0.3
227.10577	0.3
231.10117	1.7
244.10916	0.2
245.11676	0.5
259.16980	0.3
269.15375	1.0
287.05594	0.5
287.16373	33.8
288.16690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1637
Annotation	Blandachromene II
Peak:m/z	Relative Intensity
53.03935	0.5
55.01850	1.0
55.05503	1.6
57.07059	0.5
57.61412	0.1
65.03939	0.4
67.05502	1.9
69.03420	4.3
69.07064	0.9
69.72467	0.9
71.05000	0.1
76.97697	0.1
77.03917	0.2
79.05477	1.9
81.03408	1.4
81.07044	5.0
82.07417	0.1
83.01331	1.7
83.04977	0.4
83.08607	0.2
91.05461	2.1
93.03396	0.2
93.07030	2.4
95.04958	1.3
95.08588	1.6
97.06469	0.1
98.20631	0.1
105.07010	1.2
106.76446	0.1
107.04937	0.3
107.08575	2.1
109.02862	1.7
109.06502	7.1
109.10137	2.0
111.04412	0.2
117.06989	0.2
119.04930	1.0
119.08566	0.7
121.06485	0.6
121.10090	0.7
123.04401	0.5
123.08076	1.0
123.11691	11.2
124.12047	0.2
125.05973	0.4
127.03902	2.8
128.06219	0.1
129.07011	0.3
131.08560	0.3
133.06441	0.4
133.10078	0.8
135.08031	0.3
135.11670	2.6
137.05956	9.0
138.06337	0.3
139.03844	0.7
139.07426	0.2
141.05440	2.2
142.07701	0.3
143.08505	0.3
145.10052	0.3
147.04402	0.3
147.08035	0.5
147.11606	0.4
149.05937	0.3
149.09654	0.2
151.07536	1.7
153.05441	6.3
155.06912	0.1
157.10089	0.5
159.07982	0.2
161.05923	0.6
161.09583	0.3
163.07584	0.8
164.04671	0.1
165.05452	100.0
166.05791	3.1
167.06989	1.1
167.08272	0.2
171.11656	0.2
173.05893	0.1
175.07536	0.8
175.11151	0.4
175.14801	0.2
177.05452	0.8
177.06812	0.2
177.09074	0.5
179.07008	27.6
180.07368	0.9
181.08557	0.2
183.06570	0.3
185.09605	0.4
187.07480	0.3
188.08221	0.3
189.05455	0.7
189.09134	0.7
190.06161	0.5
191.07014	1.2
193.08557	0.9
198.06931	0.1
201.09010	0.1
202.09784	0.1
203.07011	2.9
203.10625	0.6
204.07730	0.3
205.08575	4.3
207.06682	0.1
207.10182	0.8
213.09099	0.4
217.08546	1.2
218.09279	0.2
219.10126	0.8
221.08118	0.3
227.10689	0.3
231.10138	9.0
231.13841	0.3
232.10417	0.3
233.11581	0.2
243.10193	0.2
245.11703	1.5
269.12100	0.1
269.15350	0.9
277.09064	0.1
287.16376	62.2
288.13495	0.3
288.16718	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01856	2.2
55.05488	1.1
57.03423	3.4
57.07058	1.0
67.05486	1.7
68.99767	1.1
69.03413	1.9
69.07056	1.2
70.06557	2.6
70.08218	1.4
70.08631	3.0
75.12432	0.8
75.80215	0.7
78.04688	0.9
79.05481	6.8
81.03392	1.5
81.07039	2.4
83.04966	1.3
85.02869	1.0
85.06563	0.9
86.01149	0.7
91.05470	4.6
93.07021	2.2
95.04971	3.6
95.08573	1.0
97.02843	0.8
97.19644	0.8
98.21438	0.8
103.05453	7.3
105.06999	6.6
106.04104	0.9
107.04938	53.9
107.08581	1.7
109.02863	1.1
109.06496	2.3
114.09147	1.7
115.05425	3.5
117.06996	1.8
119.04924	1.1
119.08537	1.0
120.05736	1.0
121.02824	0.7
121.06495	2.0
121.10125	0.7
123.04408	4.1
124.05181	2.6
125.05915	1.2
127.03907	1.1
131.04886	3.7
133.06453	2.8
135.04391	0.9
135.08035	15.5
137.02318	1.7
137.05965	3.7
145.06500	1.0
145.07602	1.1
145.10071	1.0
147.04346	1.7
149.02348	1.7
149.05994	1.7
150.03102	1.9
151.03862	1.6
151.07436	1.0
152.04686	1.8
153.01816	1.1
153.05435	0.8
154.06204	2.7
161.05943	1.0
163.07521	38.6
165.05478	5.9
165.09085	1.2
167.07019	100.0
168.07390	1.2
175.03885	0.7
177.01871	3.0
177.06880	0.8
179.06992	1.1
180.07825	2.9
181.08603	1.2
182.54396	0.7
193.08627	3.2
195.08296	1.7
195.10133	30.6
203.03351	1.9
211.09593	6.2
213.05518	1.8
213.11185	41.1
214.11440	1.2
227.10721	1.7
231.06474	1.8
241.05048	2.0
255.10167	1.7
259.05963	1.8
269.04459	1.4
272.31964	0.7
287.05457	21.5
287.10214	1.0
287.12689	1.4
287.16977	3.5
288.05923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.50024	0.1
53.03916	0.2
67.01862	1.1
68.99783	1.2
70.27938	0.9
79.05481	0.3
79.26782	0.1
81.07063	0.2
89.03889	0.4
105.03376	0.3
107.04929	0.3
111.00768	0.2
117.03335	0.5
121.02826	0.2
129.01772	0.2
135.04396	3.9
137.02348	0.9
147.04449	0.2
153.01810	9.4
161.02327	1.2
165.05521	0.4
171.02867	1.3
179.03378	0.6
185.05917	0.2
203.03404	0.3
213.05379	0.5
217.60982	0.2
241.04953	1.3
259.06049	0.2
263.05344	0.2
269.04401	0.9
287.05453	100.0
288.05795	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	287.0546
Annotation	Isoscutellarein
Peak:m/z	Relative Intensity
50.50922	0.2
68.99754	0.4
70.75689	0.4
70.76093	0.4
81.07029	0.2
93.06986	0.2
97.22192	0.2
105.03352	0.3
115.05437	0.2
141.28990	0.2
147.11638	0.3
153.01752	0.5
161.02299	0.4
176.04637	0.3
185.05936	0.8
187.03900	0.4
191.06860	0.4
199.03868	0.8
200.04591	0.3
201.05431	0.6
212.04655	1.2
212.06357	0.2
213.05446	5.5
215.03270	0.3
216.04156	1.0
217.04869	0.3
223.03799	1.0
227.03358	0.7
229.04918	2.8
230.05730	5.5
230.07961	0.2
231.06493	2.7
240.04176	2.6
241.04930	20.2
242.05434	1.1
243.02834	0.9
244.03661	1.7
245.04399	0.6
257.04382	0.8
258.05225	7.4
259.05988	6.8
260.06244	0.3
269.04413	30.7
270.04782	0.9
287.05460	100.0
288.05801	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01845	0.1
64.39458	0.1
65.03924	0.2
65.12741	0.1
66.32580	0.1
66.84620	0.1
67.01863	0.2
68.99422	0.1
68.99778	1.5
69.03407	0.1
70.89012	0.2
72.68502	0.1
74.82224	0.1
79.05469	0.6
81.03397	0.3
82.99068	0.1
91.05458	0.1
95.04954	0.3
97.02876	0.1
103.05444	0.2
105.03372	0.7
107.04939	0.9
109.02846	0.6
111.00787	1.4
111.04411	0.3
115.05448	0.2
117.06992	0.1
119.04884	0.2
121.02849	5.9
125.51682	0.1
127.03888	0.2
129.06967	0.3
131.04999	0.1
133.02856	0.8
135.04408	0.3
137.02327	1.8
141.06956	0.2
145.06462	0.3
147.03331	0.1
147.04391	1.3
151.03851	0.1
153.01807	8.7
154.02196	0.1
157.06464	1.1
157.21402	0.1
161.05949	0.3
162.41666	0.1
165.01819	3.6
169.06430	0.1
171.02971	0.2
171.04387	0.6
173.05931	0.1
175.03882	0.2
175.07539	0.1
179.03467	0.1
183.02888	1.4
185.05983	1.0
189.05443	0.2
193.81725	0.1
195.04390	0.1
197.05992	0.3
201.05554	0.1
203.03387	0.2
203.07060	0.2
213.05428	2.7
216.04080	0.1
217.04893	0.1
219.06339	0.1
229.04955	0.4
231.06497	1.2
241.04895	1.3
242.05479	0.1
245.04445	0.1
254.48703	0.1
257.04453	0.1
258.05215	2.0
259.06046	0.8
269.04410	0.3
287.05460	100.0
288.05795	4.0
288.09103	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	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03925	0.1
55.01852	0.1
65.03918	0.2
66.42937	0.1
67.01848	0.2
67.05479	0.1
68.99410	0.1
68.99777	1.6
69.03413	0.3
71.01373	0.1
71.30972	0.3
79.05481	0.4
81.03397	0.2
81.07045	0.1
93.07018	0.3
95.04946	0.4
96.04887	0.1
97.02922	0.1
98.52769	0.1
103.05434	0.1
105.03368	0.8
105.06972	0.1
107.04939	0.9
107.08590	0.2
109.02844	0.6
109.06532	0.2
111.00797	1.5
111.04420	0.3
115.05426	0.2
117.07062	0.2
119.04883	0.1
121.02850	5.5
121.06480	0.2
122.03203	0.2
127.03901	0.3
128.06209	0.2
129.06961	0.3
133.02818	0.9
135.04391	0.4
135.08049	0.2
137.02321	2.1
139.07475	0.1
141.06906	0.3
145.06438	0.5
145.10110	0.2
147.04381	1.3
150.60118	0.1
151.03909	0.1
153.01808	9.1
154.02145	0.3
157.06464	1.2
159.11664	0.1
161.05965	0.4
163.11186	0.1
165.01814	3.3
165.03189	0.2
167.04869	0.1
169.06459	0.2
171.02919	0.2
171.04379	0.6
175.03947	0.2
183.02878	1.4
185.05940	1.0
189.05434	0.2
197.05911	0.3
199.03955	0.1
203.03479	0.1
203.07019	0.2
205.12231	0.3
212.04761	0.1
213.05441	3.1
214.05978	0.1
216.04239	0.1
217.05014	0.1
223.13147	0.5
229.04918	0.4
231.06464	1.3
241.04947	1.8
241.14284	0.2
242.05614	0.2
243.06467	0.2
245.04379	0.1
258.05191	2.0
258.07751	0.2
259.06006	1.2
269.04388	0.8
269.13846	0.2
286.04761	0.1
287.05457	100.0
288.05789	3.9
288.09073	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30710	0.1
53.04757	0.1
54.89066	0.1
55.01859	0.2
59.00439	0.1
61.55163	0.1
62.07788	0.1
65.03927	0.3
67.01836	0.2
68.99774	1.6
69.03427	0.2
69.90712	0.8
69.91076	0.1
76.18896	0.1
76.86886	0.1
79.05472	0.5
79.33420	0.1
81.03395	0.3
81.07024	0.2
85.06513	0.1
91.05441	0.1
93.07014	0.4
95.04939	0.4
97.02831	0.1
98.20724	0.2
103.05459	0.3
105.03386	0.8
105.07010	0.2
107.04945	0.9
107.08597	0.2
109.02866	0.7
109.06492	0.3
111.00784	1.3
111.04429	0.4
115.05405	0.3
119.04919	0.1
121.02852	4.7
121.03757	0.3
121.06471	0.1
121.10099	0.1
127.03887	0.3
129.01785	0.1
129.06989	0.3
133.02786	0.7
135.04372	0.3
135.08038	0.3
137.02324	1.8
141.06967	0.3
145.06441	0.5
145.10059	0.1
147.04385	1.1
147.08025	0.1
147.11620	0.2
151.03891	0.2
153.01808	8.7
157.06438	1.0
159.06267	0.1
161.05907	0.2
165.01819	3.0
165.05447	0.2
169.06461	0.2
171.03026	0.2
171.04417	0.6
175.03967	0.3
177.05521	0.1
183.02878	1.4
185.05933	1.2
187.11220	0.1
189.05418	0.3
191.03311	0.1
191.07036	0.2
191.32358	0.1
197.05951	0.3
203.03343	0.2
203.06981	0.3
205.12283	0.3
212.04639	0.1
213.05429	2.9
214.05923	0.1
216.04141	0.2
217.04953	0.2
223.13229	0.3
229.04944	0.4
231.06511	2.0
240.04024	0.2
241.04910	2.2
241.14290	0.2
242.05092	0.1
243.06421	0.2
244.03773	0.2
258.05231	2.0
258.08154	0.2
259.05972	1.7
269.04404	1.2
269.13788	0.1
286.04547	0.2
287.05450	100.0
288.05804	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	287.0544
Annotation	Tournefolal
Peak:m/z	Relative Intensity
50.01566	0.1
55.01861	0.1
57.03416	0.1
57.80586	0.1
65.03944	0.2
67.01857	0.2
68.99780	0.1
69.03353	0.1
69.86814	0.5
77.08923	0.1
79.05468	0.1
81.03387	0.1
81.07049	0.1
83.01322	0.5
85.02879	0.4
91.05470	0.1
95.01346	0.1
103.05434	0.1
105.03346	0.1
107.04952	0.1
109.02834	0.1
115.05428	0.2
121.02830	0.4
121.06548	0.1
128.06189	0.5
129.06108	0.1
129.06992	1.0
131.04874	0.1
133.02924	0.1
135.08009	0.1
137.02336	0.8
139.05417	0.5
141.06946	0.2
145.06450	0.3
147.04364	0.2
149.02303	0.2
149.09459	0.1
153.01753	0.1
154.02570	0.1
157.06462	2.2
165.05424	0.3
167.03474	0.1
171.04350	0.2
175.03831	0.2
176.04651	0.2
177.01787	0.2
177.05423	0.2
184.05074	0.2
185.05943	3.0
185.07605	0.2
187.03825	0.1
187.11272	0.1
188.04631	0.1
189.05521	0.4
195.04350	0.3
195.05786	0.1
197.06059	0.1
199.03882	0.3
200.04671	0.2
201.05530	0.4
202.06223	0.3
203.03354	3.3
212.04570	0.3
213.05428	14.7
214.05878	0.5
215.03346	0.3
215.06981	0.5
216.04109	0.2
217.05034	0.2
221.04425	0.7
223.03847	0.2
223.13110	0.1
224.04482	0.1
225.05444	0.2
227.03249	0.1
229.04910	0.8
230.05621	0.5
231.06374	0.1
240.04190	0.7
241.04906	56.0
242.05260	1.9
243.06485	0.2
244.03629	6.0
245.04176	0.2
247.02277	0.5
257.04407	8.5
258.05188	6.5
258.08075	0.1
259.05920	1.1
269.04398	18.2
270.04767	0.8
287.05441	100.0
288.05783	4.0
288.09070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66821	0.6
51.28509	0.6
53.03936	2.3
53.06665	0.6
55.01853	1.6
55.05507	6.3
56.43790	0.6
57.03429	6.8
65.03929	0.8
67.05498	11.1
68.99796	1.2
69.03420	3.5
69.07053	3.9
69.66073	0.6
69.66409	6.1
71.04987	3.2
72.09911	0.6
79.05490	11.4
80.96011	0.7
81.03408	53.6
81.06609	1.3
81.07050	16.1
82.03746	0.6
83.04978	5.5
83.08608	11.1
85.02894	11.3
85.06532	2.1
91.05471	12.2
91.37854	0.6
92.39088	0.6
93.07031	6.7
95.04321	0.9
95.04952	18.3
95.08592	5.2
97.02895	1.4
97.06531	2.1
97.10155	1.4
98.20687	0.8
99.04420	1.2
99.08094	1.1
105.07024	11.6
107.04939	4.9
107.08566	4.3
109.06474	3.0
109.10143	2.4
111.04417	1.3
111.08073	7.6
113.06018	0.9
115.05482	1.3
117.07009	1.5
119.08570	10.5
121.06504	1.7
121.10137	6.0
123.04433	0.8
123.08049	0.8
123.11696	2.5
125.09629	0.7
127.07603	0.7
129.06975	4.8
131.04933	0.6
131.08542	5.1
133.06500	2.2
133.10097	3.5
135.04367	3.0
135.11693	0.9
139.03880	1.6
142.07741	2.0
145.10150	1.1
147.04407	1.3
147.08005	1.9
147.11670	14.4
149.09592	2.6
151.03891	2.6
151.11121	0.8
157.10092	5.8
160.05167	1.2
163.03870	2.8
165.07028	0.8
165.12769	4.5
173.05988	1.7
175.11165	8.7
177.01794	1.3
177.05463	0.9
181.04910	3.7
183.13808	0.8
187.03804	0.9
189.05437	1.1
191.03433	1.1
193.06541	0.9
193.12228	36.3
194.12535	1.3
201.05440	2.6
203.07094	0.6
205.04941	2.2
210.06706	1.1
211.03976	0.9
211.13274	12.3
215.03410	1.0
217.05002	1.1
221.05969	1.2
225.09073	1.8
228.04105	1.8
229.04933	6.1
229.14305	1.9
231.06480	2.4
239.03413	1.8
243.02887	0.8
249.07558	2.9
253.08614	3.4
256.03613	1.9
257.04401	15.7
258.04913	1.2
260.03143	3.3
261.03793	1.2
267.15906	9.3
285.03918	100.0
285.07306	6.7
285.10855	2.7
285.16904	18.6
286.04251	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	286.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01863	0.4
56.96551	1.8
57.03415	0.5
57.07038	0.3
58.99597	0.4
61.02924	0.4
67.05486	0.5
69.03416	1.3
69.07047	0.8
70.06262	0.4
70.06587	4.1
70.34393	1.0
71.04974	0.5
73.02899	0.5
76.02216	1.1
80.05006	2.2
81.03407	0.9
83.04953	0.3
84.04471	0.8
84.08115	0.6
85.02891	4.1
87.04490	0.4
89.03902	0.9
91.03958	0.4
95.04958	3.9
96.04471	1.4
97.02878	1.8
98.21373	0.4
98.97563	1.1
105.00063	0.8
106.06557	0.4
109.02880	0.5
112.05093	3.5
116.05553	0.3
116.07124	0.7
116.98590	0.7
117.03376	0.5
122.02714	5.4
123.04413	20.2
124.03936	100.0
125.04276	0.8
125.07086	0.4
127.03904	1.1
130.05002	0.7
132.08046	0.6
134.99664	0.6
135.04430	1.3
141.10175	0.5
143.00186	0.6
143.04770	0.3
145.02817	0.5
145.04927	0.8
146.99628	0.6
147.04401	1.3
148.04745	0.5
154.06110	2.6
161.01210	1.3
162.05481	0.6
163.03877	5.1
164.04230	0.6
165.05466	9.5
169.09717	0.4
177.00684	0.4
189.04240	0.6
194.79210	0.3
215.13965	1.0
234.07532	0.5
235.01390	0.4
237.02779	0.8
267.03983	0.6
285.05133	0.4
286.09076	1.4
286.17822	1.0
287.05484	3.4
291.03851	0.6
309.04971	0.8
309.08594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07586	0.2
52.76186	0.2
53.03941	0.3
55.01853	0.5
55.05503	1.4
56.36038	0.2
57.03429	1.2
58.62628	0.2
59.75363	0.2
65.03932	0.2
67.01857	0.3
67.05497	3.1
68.34269	0.1
68.99780	0.8
69.03419	0.9
69.07057	0.6
70.26640	0.8
71.04964	0.6
77.03909	0.2
77.35571	0.1
79.05476	2.8
81.03407	15.5
81.07049	3.8
82.03762	0.2
82.07364	0.2
83.04977	1.8
83.08610	3.4
85.02892	0.9
85.06521	0.7
86.09725	0.2
87.04495	0.2
91.05474	2.7
93.07024	2.0
95.04957	5.5
95.08585	0.8
97.02890	0.4
97.06511	0.6
97.10139	0.3
99.04452	0.2
99.08045	0.2
103.05450	0.2
105.07011	3.1
107.04939	1.2
107.08582	1.3
109.02849	0.2
109.06510	1.8
109.10129	0.5
111.04419	0.5
111.08066	2.3
113.05985	0.5
115.05453	0.3
117.06974	0.5
119.04916	0.2
119.08560	2.3
121.02828	0.4
121.06488	0.7
121.10117	1.3
123.00787	0.2
123.04395	0.2
123.08035	0.4
127.07546	0.3
129.06995	1.6
131.04933	0.3
131.08560	1.3
133.06442	0.7
133.10110	1.0
135.08046	0.3
135.11676	0.2
137.05981	0.6
137.09579	0.4
142.07729	0.8
143.08542	0.3
143.24774	0.2
145.06450	0.4
145.10094	0.5
147.04375	0.3
147.08025	0.7
147.11662	2.3
149.09613	0.7
151.07561	0.2
151.11195	0.2
155.04872	0.4
157.06422	0.2
157.10101	2.2
159.11699	0.5
161.05937	0.8
161.09555	0.4
163.03903	0.3
163.11159	0.4
165.06985	0.4
165.12753	0.8
169.10153	0.3
173.02353	0.3
173.05942	0.5
175.11165	2.6
177.01791	1.3
177.12814	0.2
179.10654	0.2
181.04834	0.2
181.12215	0.2
183.04370	0.4
185.09674	0.4
187.03903	0.8
187.11156	0.3
189.05553	0.2
191.03380	1.0
193.06465	0.3
193.12225	8.6
194.12595	0.4
200.04605	0.3
201.05432	2.8
203.10667	0.7
205.04971	0.2
210.06688	0.3
211.03897	1.1
211.13268	1.6
213.09142	0.2
215.03381	1.1
216.04138	0.6
217.04935	1.1
221.06056	0.3
221.11743	1.0
225.09091	0.6
228.04149	1.9
229.04932	6.7
230.05344	0.3
231.02744	0.2
239.03287	1.7
239.07043	0.4
239.12778	0.3
243.02875	1.1
249.11295	0.2
249.18410	0.2
253.08571	1.0
254.09210	0.2
256.03632	2.2
257.04416	15.0
258.04691	1.0
260.03149	3.8
261.03806	0.9
267.02866	0.3
267.12646	0.3
267.15863	2.8
285.03903	100.0
285.16605	1.9
286.04239	8.5
286.07486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01868	4.0
55.05502	23.6
57.03432	46.2
59.04984	1.9
67.05497	34.9
69.03411	7.5
69.07069	12.3
71.04986	9.3
79.05489	31.8
81.03410	88.0
81.06566	2.2
81.07047	44.1
83.04610	1.5
83.04979	18.7
83.08614	34.0
85.02897	84.9
85.06516	3.6
91.05470	43.1
93.07037	24.1
95.04964	39.3
95.08597	18.2
97.02875	4.8
97.06496	5.2
97.10131	4.1
98.20759	4.0
99.08099	2.5
99.64165	1.6
105.07025	29.0
107.04945	8.1
107.08549	12.5
109.06489	7.1
109.10151	6.2
111.04444	3.6
111.08073	23.6
113.05998	7.4
115.05434	2.6
117.06999	3.2
119.08574	28.3
121.06499	2.1
121.10142	12.5
123.08020	4.7
123.11695	3.3
125.09572	2.6
129.07018	13.2
131.08575	15.0
133.06461	4.0
133.10114	11.1
137.09616	2.2
142.07745	2.1
145.10034	3.3
147.07991	4.8
147.11659	23.3
149.09579	7.3
157.10115	21.2
161.05998	3.0
165.06943	3.2
165.12715	4.9
175.11188	22.2
193.12227	99.7
194.12572	3.9
207.08049	1.6
211.13271	90.3
212.13583	2.9
221.06050	2.9
225.09116	3.3
229.04858	9.9
244.03662	2.3
253.08553	8.9
255.02887	3.2
257.04440	48.5
258.04782	2.0
267.15961	2.7
283.32040	1.7
285.03876	57.3
285.07483	38.8
285.10980	6.2
285.16916	100.0
286.04218	3.5
286.07748	2.1
286.17203	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.1
53.31341	1.3
53.72166	1.2
55.01857	8.2
55.05505	23.0
56.96534	1.6
57.03431	41.6
57.07045	1.8
59.04986	2.2
63.57915	1.3
65.03937	2.2
67.05159	2.4
67.05495	36.6
69.03417	12.7
69.07061	11.9
70.06570	1.7
70.75658	2.4
70.76015	3.7
71.01294	1.9
71.04983	11.2
79.05048	2.8
79.05482	36.7
81.03408	74.1
81.07047	51.4
82.07383	1.8
83.04536	1.6
83.04976	21.4
83.08604	32.5
85.02894	65.6
85.06529	6.8
87.04482	2.2
91.05469	45.4
91.76965	1.4
93.07031	26.9
95.04960	41.2
95.08590	23.3
97.02874	4.7
97.06525	9.6
97.10170	2.3
99.08094	1.6
101.05910	1.5
103.05431	1.4
105.07018	38.5
107.04940	9.6
107.08578	15.7
108.08845	1.6
109.06507	21.1
109.10113	5.3
111.04411	4.7
111.08070	20.1
112.04753	1.3
113.06004	11.2
115.05401	2.9
117.06987	4.2
117.38192	1.4
119.07773	1.9
119.08567	32.4
121.06487	5.9
121.10119	18.9
123.08040	6.4
123.11700	7.3
125.05983	2.2
127.07526	5.7
129.05460	1.9
129.06999	13.8
131.08551	20.4
133.06461	5.9
133.10123	16.6
135.08070	3.3
135.11673	2.2
137.05954	5.3
137.09581	2.6
142.07713	6.0
143.08536	2.4
145.10089	5.6
147.08002	5.1
147.11659	30.0
149.09592	10.9
157.10114	27.1
159.07947	2.3
159.11664	5.8
161.05986	2.7
161.09627	3.3
163.07625	1.5
163.11115	3.6
165.12726	8.6
175.11163	23.6
179.10689	2.1
185.09552	4.8
187.11195	1.7
193.06419	3.5
193.12222	81.1
194.12558	4.7
201.05438	2.3
203.10678	10.4
211.11261	2.5
211.13272	48.6
212.13675	1.3
213.09081	3.2
221.05817	1.5
221.11729	7.0
225.09061	4.2
229.04938	3.3
231.10104	3.1
231.13840	2.0
239.12698	2.2
249.07436	1.5
249.11253	3.7
253.08583	9.3
257.04437	5.3
258.05194	3.3
267.12241	5.3
267.15802	11.1
285.00732	2.5
285.03943	39.5
285.07401	3.3
285.11475	8.9
285.16916	100.0
285.23877	3.1
286.04523	6.0
286.17184	7.0
303.05139	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
54.96138	1.3
55.01852	4.8
55.05502	17.4
57.03169	2.0
57.03430	27.7
57.07056	2.5
57.53794	1.8
59.04970	2.0
61.02912	2.4
63.00027	1.6
67.05495	36.5
69.03415	9.8
69.07059	24.1
71.04990	7.7
71.07434	4.6
73.02895	3.0
79.05025	2.2
79.05475	32.7
81.03419	14.3
81.07046	100.0
82.07378	2.3
83.04968	10.6
83.08608	13.7
85.02895	26.2
85.06548	8.4
88.73942	1.3
91.03947	3.6
91.04930	2.1
91.05466	28.7
93.07026	16.6
95.04970	8.3
95.08589	20.2
97.02877	5.4
97.06511	10.6
97.10181	2.9
99.08065	6.1
100.29818	1.7
105.03366	4.9
105.07018	44.9
107.04908	3.9
107.08574	15.2
109.02840	1.8
109.06511	8.5
109.10149	3.9
111.04436	2.6
111.08054	2.7
117.07014	1.8
119.08571	31.8
121.02844	2.6
121.10130	26.9
123.04416	11.5
123.08045	6.3
123.11691	36.1
127.03884	5.4
127.07505	4.6
128.66002	1.7
129.06970	3.5
131.08540	3.5
133.10097	4.8
135.04398	5.9
137.13240	2.6
142.07768	1.6
145.02808	1.5
145.04936	11.4
145.10072	2.0
147.04369	3.1
147.11670	95.2
148.12044	2.3
149.09689	1.9
157.10136	7.6
161.05942	3.4
161.09550	1.9
163.03896	8.2
163.06015	2.1
165.05600	1.8
165.06992	5.9
165.12740	50.0
166.13103	2.5
175.11154	6.3
181.06482	1.8
183.13763	6.8
191.03366	47.9
192.03670	2.8
193.06421	3.5
193.12212	7.7
197.05946	2.5
210.06726	3.5
211.13208	3.7
221.05902	4.4
225.09076	7.2
229.04955	2.9
229.14249	9.1
238.06165	1.9
243.06520	7.1
253.08562	20.7
253.55688	1.6
257.04300	8.1
267.15854	9.9
285.03888	25.9
285.07483	11.8
285.11176	13.1
285.16931	82.0
286.04367	2.0
286.17255	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	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03933	2.0
55.01850	3.3
55.05505	18.1
57.03159	1.6
57.03427	27.7
57.07051	1.4
59.04995	1.4
65.03921	1.2
67.05494	37.1
69.03418	2.2
69.07057	17.4
69.72761	6.2
71.04977	6.8
73.06521	0.9
79.05482	21.3
81.03410	10.3
81.07044	100.0
82.07376	1.8
83.04969	8.0
83.08161	1.2
83.08607	14.3
85.02876	7.9
85.06516	7.4
91.05463	29.9
92.05817	0.8
92.97725	0.8
93.07034	16.0
95.04948	7.5
95.08597	21.3
97.06512	7.8
97.10165	1.8
98.21458	0.8
99.08089	7.1
100.18124	0.9
101.05984	1.5
104.36928	0.8
105.07014	38.1
106.07352	1.0
107.04910	1.5
107.08579	15.2
109.06512	7.0
109.10125	2.1
111.04376	0.8
111.08059	3.0
113.05966	1.6
115.07518	1.2
119.04895	0.9
119.08563	32.3
120.08926	1.7
121.06516	1.1
121.10126	22.6
123.08086	5.9
123.11691	32.4
124.11984	0.8
127.07553	5.3
129.06975	3.6
131.08533	2.9
133.10091	3.4
137.09567	1.1
137.13255	3.4
141.09120	1.0
142.07806	1.0
143.08514	1.2
145.10115	2.2
147.11668	77.6
148.12003	2.2
149.09586	2.0
155.08487	1.3
157.10092	5.6
161.05968	1.2
165.07016	1.9
165.12735	44.0
166.13026	1.6
175.11186	6.1
180.09332	0.8
181.09966	1.1
183.11656	1.5
183.13780	5.6
191.03378	1.4
193.06465	1.5
193.12202	15.0
194.12560	1.1
195.11540	1.0
211.11389	1.3
211.13261	8.5
221.06024	1.1
225.09050	2.7
229.12184	1.7
229.14273	9.4
239.10587	1.4
253.08612	5.3
257.04364	2.1
257.11697	0.9
267.10291	1.4
267.15869	5.5
285.03888	12.6
285.07489	2.2
285.11197	6.3
285.16922	77.0
286.17377	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62634	0.9
55.01865	2.5
55.05285	1.1
55.05507	15.2
57.03165	1.6
57.03433	23.3
57.07052	1.2
65.03922	1.4
67.05495	31.7
69.07061	21.3
71.04984	5.6
71.27232	2.0
71.27605	2.2
79.05486	16.8
81.03362	1.1
81.07048	100.0
82.07372	2.3
83.04968	7.0
83.08609	10.3
83.46446	1.1
85.02898	1.3
85.06545	7.0
91.05473	25.4
93.07032	13.4
95.04955	2.9
95.08595	20.1
97.06514	7.9
99.08074	5.7
99.27075	1.1
101.06004	1.1
105.07018	37.7
107.08596	11.3
109.06503	7.2
109.10146	2.5
111.08059	2.2
117.06996	1.4
117.67657	0.9
119.08572	28.0
121.10126	23.1
123.08083	5.5
123.11697	31.0
123.99076	1.0
124.12031	2.5
127.07526	3.8
129.06984	2.7
131.08496	1.5
133.10107	4.6
137.13271	2.5
141.09171	1.1
145.10123	1.2
147.11673	82.3
148.11993	3.2
157.10123	4.2
165.12743	49.2
175.11159	4.4
183.13785	7.5
193.06241	1.2
193.12225	4.5
211.13039	1.1
229.04909	1.1
229.14342	8.6
230.35283	1.2
253.08585	2.3
257.04422	11.5
267.15848	4.8
268.16156	1.1
285.03989	17.2
285.07153	1.7
285.16934	81.3
286.17316	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03941	1.6
55.01870	1.9
55.05502	15.4
57.03430	21.7
57.07071	0.8
59.04986	1.4
65.03918	0.8
67.05496	33.3
68.05850	0.8
69.03421	1.7
69.07057	17.8
69.47555	4.9
69.47981	3.1
69.70670	0.7
71.04989	6.6
73.06544	1.4
77.31924	0.7
79.05482	17.6
81.03413	1.8
81.07046	100.0
82.07375	1.6
83.04977	8.0
83.08614	9.4
85.02878	1.1
85.06528	7.1
87.04451	1.0
91.05473	24.5
93.07034	13.9
95.04958	3.5
95.08595	22.1
95.67259	0.7
96.08903	1.2
97.06512	6.5
97.10144	1.1
99.08074	5.0
101.06000	2.0
105.07019	39.8
107.08577	12.4
108.86248	0.6
109.06503	7.1
109.10132	1.8
111.08037	1.8
113.05981	2.4
115.07574	0.9
117.07025	1.2
119.08569	30.6
120.08940	0.9
121.10132	18.6
122.10458	0.7
123.08038	4.6
123.11693	30.7
124.11993	1.2
127.07550	3.0
129.06987	3.1
131.08565	2.0
133.10132	3.1
137.09499	0.9
137.13264	3.0
141.09071	0.9
142.07791	0.7
145.10133	0.8
147.11665	78.8
148.11986	2.9
149.09575	1.1
150.48079	0.7
155.56105	0.7
157.10120	4.6
159.11543	0.9
165.12737	43.3
166.13087	1.5
173.06012	1.1
175.11176	4.2
183.13797	6.3
193.12221	3.6
195.48480	0.7
201.83939	0.8
211.13295	0.9
225.09044	0.8
229.04988	1.0
229.14340	8.3
248.09181	0.6
253.08472	2.5
257.04443	1.6
267.15912	6.6
285.03851	7.9
285.07391	2.0
285.16913	73.4
286.17276	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.10205	0.8
50.78457	0.8
53.03936	1.5
54.39399	0.8
55.01855	3.1
55.05505	18.3
57.03154	1.3
57.03428	23.2
57.07051	1.3
65.03932	1.7
67.05493	36.4
69.03421	1.9
69.07059	20.9
69.67863	4.7
69.68292	3.2
71.04984	6.5
73.06539	1.2
77.26414	1.1
77.47513	0.8
79.05477	18.8
81.03401	15.4
81.07043	100.0
82.07382	1.4
82.18611	0.8
83.04968	8.4
83.08611	13.1
85.02880	1.7
85.06529	8.1
91.05465	26.9
93.07027	14.3
95.04949	6.6
95.08592	22.6
97.06516	8.8
97.10135	1.3
99.08070	5.6
103.05444	0.9
105.07014	38.0
105.07719	2.0
107.04943	4.8
107.08575	13.0
109.06506	7.3
109.10145	5.3
111.08075	3.2
113.05970	1.0
119.08566	30.3
119.62727	0.9
120.08937	1.0
121.10123	20.5
123.04435	1.1
123.08052	5.0
123.11687	31.8
123.68459	1.0
125.09659	1.2
127.07557	2.9
129.06998	2.6
131.08562	3.2
133.10126	3.3
135.04408	5.9
137.05988	0.9
137.09602	0.8
137.13264	3.2
141.09102	1.5
142.07715	1.8
145.10133	2.9
147.11665	79.4
148.12007	2.8
149.06013	1.0
149.09592	1.4
153.05486	1.1
157.10075	4.7
163.03899	3.2
165.12735	48.5
166.40775	0.9
168.08058	2.3
173.05933	1.0
173.09604	1.6
175.07571	1.3
175.11122	5.0
180.08070	2.2
183.13820	3.5
191.03294	4.2
193.12213	11.9
197.05928	1.1
201.09106	2.5
208.11276	1.2
211.13358	2.4
215.07047	1.4
215.10667	1.4
229.04855	1.2
229.08646	2.3
229.14249	9.6
243.06671	1.3
249.18593	1.0
253.08430	1.8
257.04282	1.4
257.15503	3.6
267.15952	8.4
268.13370	7.1
285.04263	6.2
285.07660	2.7
285.17017	74.7
286.17383	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	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03930	4.7
55.01861	3.7
55.05497	13.4
57.03431	22.5
62.77530	1.7
67.05495	17.0
69.03400	6.7
69.07056	3.7
71.04997	8.8
73.41821	2.1
79.05479	20.7
80.20248	1.9
81.03403	100.0
81.07050	23.4
83.04972	14.1
83.08609	25.2
85.02896	33.2
85.06537	3.3
91.05458	24.5
93.07039	15.1
95.04955	32.7
95.08595	5.9
97.02879	5.2
97.10154	2.2
105.07011	19.6
107.04944	8.5
107.08569	6.2
109.06505	6.5
110.91864	2.0
111.08068	15.5
113.05993	5.1
113.98656	2.0
117.07009	3.7
119.08591	15.0
121.10097	10.5
123.08025	2.3
123.11736	2.9
125.05926	1.9
129.06950	11.0
131.08546	8.8
133.10135	8.7
142.07750	2.3
147.08018	3.9
147.11667	15.0
149.09613	5.6
155.04872	2.2
157.10115	15.9
165.12718	3.8
173.05975	3.5
175.11174	18.5
177.01860	2.4
183.04381	2.8
187.03938	2.1
193.12224	89.3
193.14017	4.4
201.05484	6.6
211.13274	39.8
217.23512	2.1
229.05019	15.2
229.39285	2.1
257.04425	15.1
258.04803	2.1
267.13004	2.3
267.15820	18.1
285.03949	63.0
285.07080	2.4
285.11157	2.3
285.16907	41.5
286.04401	4.0
286.17453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03940	4.3
54.61575	1.4
55.01856	3.4
55.05506	20.4
56.82391	1.4
57.03167	2.8
57.03429	39.6
59.04988	1.8
61.39759	1.4
65.03924	2.4
67.05156	2.3
67.05495	33.5
69.03428	7.4
69.07057	9.6
69.82671	6.4
69.83100	4.8
71.04984	11.5
79.05480	30.7
81.03404	86.4
81.07045	45.8
83.04975	22.7
83.08607	29.0
85.02895	72.7
85.06516	2.8
91.05469	44.9
93.07028	23.6
95.04957	38.1
95.08591	15.7
97.02850	4.3
97.06512	5.4
97.10143	4.1
98.20798	3.1
99.04417	1.7
99.08091	1.7
105.07014	33.7
107.04934	7.1
107.08578	10.8
109.06498	6.8
109.10126	3.9
111.04410	6.1
111.08077	16.8
113.05982	4.2
115.05421	1.8
117.06965	1.9
117.78281	1.4
119.08566	27.6
121.06508	2.1
121.10127	13.9
123.08036	5.2
123.11676	4.8
125.05974	1.8
125.09620	2.4
129.07001	13.1
131.08554	15.0
133.06497	3.5
133.10100	15.2
142.07758	3.5
145.10045	3.3
147.08025	2.7
147.11668	24.1
149.09634	10.0
149.97418	1.4
153.01852	2.2
157.10103	20.8
163.90158	1.7
165.12753	6.6
175.11160	23.5
193.12213	89.4
194.12469	3.7
197.75189	1.6
211.13268	60.1
212.13608	2.9
225.08961	1.8
229.04845	1.9
229.14302	2.1
253.08568	3.6
257.04337	1.5
267.12384	1.7
267.15912	8.8
285.03955	6.2
285.16922	100.0
286.17303	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01852	5.5
55.05263	1.3
55.05500	12.8
57.03162	1.8
57.03427	28.1
57.07071	1.0
59.04978	2.1
61.02904	2.6
65.03917	1.5
67.01833	0.9
67.05492	23.3
67.17862	0.9
68.99770	4.3
69.03413	13.5
69.07058	6.1
70.06576	1.2
70.31256	2.9
70.31675	1.4
70.76575	0.8
71.04986	8.0
73.02893	1.5
79.05478	24.0
81.03404	59.7
81.07043	31.0
83.04967	14.2
83.08163	1.5
83.08609	19.4
85.02889	75.7
85.06509	7.2
86.03209	1.2
87.04442	1.3
87.43707	0.8
91.03916	2.1
91.05464	26.1
93.07026	14.9
95.04951	26.9
95.08593	8.4
97.02878	11.8
97.06538	4.7
97.10130	2.5
98.21381	1.1
99.04425	2.4
99.08089	1.4
101.05989	1.0
103.05408	1.1
105.07008	24.0
105.14387	0.9
107.04936	5.6
107.08606	6.2
107.28621	0.8
109.02840	3.4
109.06515	8.7
109.10131	3.8
111.04411	2.7
111.08063	13.5
113.05979	4.8
115.05432	3.1
117.06966	4.3
118.43799	0.9
119.04943	1.2
119.08546	18.7
121.02824	1.6
121.06487	2.5
121.10129	9.5
123.08017	3.2
123.11666	3.3
127.03897	7.6
127.07523	5.1
128.06194	1.3
129.05460	1.1
129.06990	8.5
131.04903	2.7
131.08524	9.2
133.06470	3.9
133.10092	9.2
135.04416	1.1
135.07961	1.2
137.05917	1.5
137.09598	2.5
141.01817	1.0
142.07729	2.1
143.08525	1.1
145.04930	9.8
145.06435	1.8
145.10057	2.6
147.07997	2.9
147.11662	14.9
149.09561	5.9
150.05481	1.3
153.05452	1.4
155.04898	4.8
155.05946	1.1
157.10092	14.5
159.07985	1.5
159.11653	1.1
160.17618	0.9
161.05937	1.6
161.09581	1.3
163.11180	1.2
165.01811	4.5
165.09085	1.8
165.12718	2.8
166.02225	0.9
173.05942	3.8
173.09564	2.8
175.11157	15.1
177.01822	1.4
177.05510	0.9
179.10645	2.1
183.02859	5.5
183.04384	2.2
185.09605	1.2
187.03891	3.1
187.07552	1.1
189.09135	1.7
193.12212	59.0
194.12585	2.5
195.10414	1.1
198.49997	0.9
201.05473	8.7
203.10635	3.0
211.03986	1.3
211.13266	38.1
212.13660	1.5
213.05418	1.2
213.09113	1.3
215.03148	0.9
217.04857	1.0
219.10114	1.4
221.11682	3.0
225.09161	2.2
225.11140	2.3
229.04913	23.6
229.14319	1.3
230.05278	1.4
231.10143	2.7
239.03314	2.7
239.12817	1.5
243.02852	1.0
249.11156	2.8
253.08568	2.7
257.04416	19.9
258.04529	1.1
260.03146	0.8
267.12268	6.2
267.15836	6.5
268.10818	2.0
268.61005	1.0
285.03903	100.0
285.07166	4.1
285.10623	2.0
285.13510	2.8
285.16898	60.7
286.04330	7.8
286.08218	1.2
286.17255	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01860	2.3
55.05502	12.2
57.03160	1.2
57.03434	22.5
57.07065	2.2
65.03937	1.2
66.31242	0.8
67.05497	23.4
69.03418	8.2
69.07071	7.0
69.46369	2.1
69.46772	10.5
71.04986	4.7
73.31721	0.9
78.01647	0.9
79.05485	20.8
81.03411	38.3
81.06623	0.6
81.07043	22.4
83.01321	4.5
83.04965	9.2
83.08610	16.4
85.02898	43.8
85.06519	2.0
86.03236	1.3
87.04487	1.0
91.05467	21.7
93.07031	15.6
95.04958	21.4
95.08590	11.3
97.02881	2.9
97.06534	3.8
97.10168	1.4
103.05417	0.9
105.07015	25.4
107.04955	4.3
107.08576	10.2
109.06512	6.7
109.10148	3.4
111.04448	1.4
111.08076	8.3
113.05984	3.0
115.05441	1.8
117.07007	3.1
119.04910	2.1
119.08572	17.1
121.06495	1.6
121.10143	11.1
123.04404	1.0
123.08077	4.8
123.11691	1.6
125.09581	0.9
127.03912	1.1
128.06187	1.4
129.06987	8.7
131.08551	9.8
133.06517	2.1
133.10100	10.9
135.04509	1.1
135.08076	1.2
137.05971	3.4
137.09596	1.7
141.05446	1.5
141.07005	2.5
142.07808	2.6
143.08472	1.0
145.10075	3.8
147.08014	2.4
147.11681	13.3
149.09613	6.3
151.07509	1.3
153.05428	2.5
154.07764	3.9
155.08525	1.8
157.10114	11.0
159.08032	2.5
159.11702	5.1
161.05948	1.4
165.05478	13.7
165.06874	1.9
165.12755	3.3
169.10127	4.2
172.08835	1.4
173.09624	4.2
175.07538	2.2
175.11171	12.9
177.05432	2.1
177.09117	1.3
179.07022	25.0
181.10147	2.2
182.07278	1.3
183.11584	1.5
185.09602	1.1
189.05455	1.1
191.07031	5.5
193.12231	41.8
194.12617	1.4
197.09604	2.7
201.09053	2.9
203.07030	4.9
205.08614	4.0
206.09259	1.1
209.09581	1.3
211.11270	1.9
211.13251	33.7
213.09013	1.8
215.06938	3.1
215.10648	1.6
217.08501	1.2
224.11827	0.9
225.09079	2.6
225.12634	1.1
227.10619	2.1
228.07748	5.7
229.08519	5.6
239.14258	1.6
241.08481	1.6
242.09297	1.7
243.10158	48.4
244.10597	3.8
249.14882	1.9
255.09985	2.1
257.11703	3.4
257.15271	2.3
267.13754	3.2
270.12561	1.6
285.04001	2.0
285.14810	100.0
285.17151	25.3
285.33310	1.5
286.14941	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01858	4.3
55.05503	14.1
57.03160	1.3
57.03430	22.4
59.04991	1.2
61.02917	2.2
64.39040	0.9
67.05134	1.8
67.05495	34.0
67.34371	1.0
69.03403	3.5
69.07059	22.7
70.86764	2.7
71.04987	7.6
73.02907	1.6
75.51290	1.3
79.05484	21.2
81.03410	7.1
81.07044	100.0
83.04982	8.0
83.08605	10.3
85.02890	22.3
85.06533	6.5
87.04496	1.3
91.03953	1.5
91.05470	25.2
93.07034	14.9
95.04983	5.1
95.08595	23.6
97.02876	4.8
97.06509	9.0
99.04397	1.6
99.08065	5.6
105.03384	1.7
105.06325	2.1
105.07016	36.9
107.04920	2.1
107.08585	13.3
109.02848	2.0
109.06509	6.8
109.10123	3.0
109.27565	1.0
111.08047	1.7
113.05976	2.4
115.07534	1.4
119.07737	1.5
119.08573	27.9
121.02867	1.9
121.10133	22.1
123.04411	8.9
123.08030	4.5
123.11685	31.7
127.03901	4.8
127.07513	2.9
129.06940	2.5
131.08549	2.0
131.15164	1.0
131.81944	1.1
133.10094	3.1
135.04390	3.6
137.13217	2.9
138.63411	1.1
140.17792	1.1
145.04948	5.2
145.10051	1.9
147.04378	2.3
147.11664	77.5
148.11983	2.3
149.09584	1.3
157.10136	3.7
161.05986	1.2
163.03902	4.5
165.12733	48.5
166.13138	1.2
175.11177	4.7
176.11357	1.1
183.13872	5.3
191.03368	27.5
193.06454	1.4
193.12234	5.6
197.06001	1.5
210.06882	1.8
211.13310	2.4
221.06023	2.2
225.09102	3.5
225.64082	1.3
229.04886	2.4
229.14288	7.9
243.06583	5.9
243.89853	1.2
253.08516	7.1
257.04416	5.0
267.15887	7.3
285.03879	23.4
285.07480	5.1
285.11237	3.8
285.16925	70.7
286.04337	1.9
286.17313	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	285.148
Annotation	Populene C
Peak:m/z	Relative Intensity
50.04685	0.2
53.03946	0.5
53.68051	0.2
55.01638	0.2
55.01857	1.2
55.05505	1.1
55.09344	0.2
56.31417	0.2
57.07079	0.3
63.00035	0.2
65.03945	0.5
67.05497	3.1
69.03419	8.0
69.07060	0.7
70.81241	0.2
71.54451	0.4
77.03915	0.2
79.05486	2.2
81.03394	1.0
81.07053	1.6
83.01329	3.8
83.04976	0.5
83.08564	0.3
84.64584	0.2
85.02879	0.5
91.05466	3.0
93.07027	2.6
95.04952	2.1
95.08598	2.8
97.06510	0.2
103.05447	0.3
105.03413	0.3
105.07014	8.5
107.04948	0.4
107.08580	4.6
109.02870	0.8
109.06507	3.2
109.10124	0.7
111.04474	0.3
115.05457	0.8
117.07019	0.8
119.04921	1.4
119.08556	2.2
121.06467	0.5
121.10126	2.9
123.04433	1.1
123.08037	2.0
125.05966	0.4
127.03901	1.6
128.06194	0.5
129.06992	1.3
130.07730	0.2
131.08562	2.6
133.06473	0.8
133.10121	3.1
135.08067	0.4
137.05951	3.3
139.03879	1.1
141.05444	3.0
141.06944	1.6
142.07747	0.5
143.08559	1.0
144.09331	0.5
145.06482	0.6
145.10130	1.4
147.04417	0.2
147.08038	0.9
147.11638	1.5
149.05981	0.7
151.07503	2.4
153.00328	0.4
153.05453	4.1
153.06931	0.8
154.07739	2.7
155.01869	1.3
155.08513	1.3
156.09340	0.3
157.06401	0.3
157.10112	0.7
158.07195	0.3
159.08018	1.2
159.11671	3.3
161.05959	1.1
161.09669	0.3
161.13309	0.3
163.07494	0.7
164.04703	0.3
165.05463	21.4
166.05804	0.3
166.07759	0.2
167.07126	0.2
167.08531	0.4
168.09416	0.5
169.10107	3.3
171.01379	4.6
171.08026	0.4
171.11670	0.3
172.08833	0.8
173.09622	1.1
173.13208	0.7
175.07552	1.0
175.11145	0.4
177.05455	1.4
178.07838	0.2
179.07014	39.1
180.07397	0.5
181.06506	0.2
181.10072	0.9
182.07236	1.6
182.10622	0.2
183.08052	0.5
183.11655	0.6
185.09541	0.3
185.13307	0.3
187.07533	1.1
187.11194	0.7
189.05447	0.5
191.07002	5.5
191.08522	0.3
193.08618	0.8
194.03078	0.3
195.08047	0.2
196.08820	0.3
196.12460	0.5
197.09619	2.8
197.13232	0.6
199.07384	0.2
199.11072	0.2
200.08224	0.2
201.09029	1.3
201.12761	0.3
202.09901	0.3
203.07007	6.5
204.07593	0.3
205.08542	1.3
206.10855	0.2
207.06395	0.2
209.09573	0.6
211.07561	0.6
211.11136	0.4
211.14827	0.7
213.09048	0.3
214.06264	0.5
214.09787	0.2
215.07031	0.3
215.10657	1.1
215.14197	0.2
217.08565	1.7
221.08066	1.9
221.10065	0.4
221.13182	0.4
224.11938	0.7
225.09068	2.3
225.12787	0.3
226.09923	0.2
227.06949	0.8
227.10623	0.2
228.07771	6.0
229.08592	3.9
229.12280	0.5
230.09297	1.1
231.10130	0.5
237.09737	1.0
239.14276	0.6
239.53662	0.2
241.08560	0.5
242.09402	0.7
243.10138	60.3
244.10323	1.5
249.12749	0.3
252.11424	0.8
253.12267	0.5
255.10107	1.0
256.11023	0.4
257.11688	3.6
257.15314	0.4
257.19037	0.2
267.13791	1.7
269.11923	0.3
270.12427	1.1
285.14813	100.0
285.33426	0.7
286.15134	3.1
303.18073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01864	12.3
55.05500	13.2
57.03417	9.0
57.07068	5.7
61.02911	4.6
62.90648	4.0
65.03941	5.1
66.17021	4.1
66.87244	4.2
67.05493	40.3
68.99757	4.9
69.03423	56.7
69.07037	11.5
70.06585	7.5
71.01344	4.9
71.04974	17.0
71.81212	4.8
75.12582	4.4
76.74067	4.0
79.05471	38.5
81.03404	35.1
81.07043	72.3
83.04972	51.6
83.08600	4.1
85.02880	29.3
85.06522	22.9
91.05457	45.4
93.07035	40.0
95.04949	87.0
95.08601	22.7
97.02889	7.4
97.06509	12.7
98.98437	4.3
99.04441	6.9
101.05977	9.3
102.69698	4.8
103.05497	5.0
105.07014	77.2
107.04951	16.1
107.08579	28.0
109.06502	95.4
109.10155	6.0
110.07047	4.7
111.04387	7.8
111.08053	35.0
113.05972	37.2
115.03938	5.9
117.07004	12.5
119.04906	12.4
119.08559	24.3
121.02930	5.1
121.06482	33.6
121.10140	7.9
123.08052	11.0
125.05997	6.1
127.03893	8.1
127.07510	26.3
128.06230	7.5
129.05461	6.2
129.06989	12.0
131.04932	5.3
131.08517	22.0
133.06454	17.9
133.10123	23.7
135.04407	8.5
135.08017	11.0
135.11646	16.4
137.05945	28.5
141.05424	17.0
141.07014	6.0
142.07742	18.8
143.08556	15.8
145.04926	10.4
145.06441	8.4
145.10121	21.0
147.08038	8.4
147.11661	25.2
150.05476	14.0
151.07506	5.8
157.10124	38.7
159.06532	24.8
159.08058	13.7
159.11681	30.5
161.09598	25.8
163.11116	14.6
165.01810	76.1
165.06921	8.5
169.10057	7.4
173.08086	10.5
173.09575	8.0
175.11179	41.1
177.12773	8.0
177.58856	4.8
179.10652	8.2
183.02869	73.2
185.09569	36.6
187.11156	21.9
191.03346	6.3
191.10680	5.7
193.06406	6.3
193.12225	33.6
203.10612	52.1
205.12263	11.9
211.03896	15.2
213.09111	23.3
221.06006	5.8
221.11720	71.7
225.09045	14.9
225.11058	8.3
229.04953	7.5
231.10075	16.6
239.03236	7.6
239.12767	19.0
241.16362	6.0
249.11162	26.1
253.08630	26.7
257.04422	44.0
267.02817	7.9
267.12262	31.3
267.15878	7.1
284.96161	5.1
285.03900	100.0
285.07538	37.1
285.11249	21.9
285.16797	7.7
285.29718	5.1
286.04355	7.6
286.20212	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01864	12.3
55.05500	13.2
57.03417	9.0
57.07068	5.7
61.02911	4.6
62.90648	4.0
65.03941	5.1
66.17021	4.1
66.87244	4.2
67.05493	40.3
68.99757	4.9
69.03423	56.7
69.07037	11.5
70.06585	7.5
71.01344	4.9
71.04974	17.0
71.81212	4.8
75.12582	4.4
76.74067	4.0
79.05471	38.5
81.03404	35.1
81.07043	72.3
83.04972	51.6
83.08600	4.1
85.02880	29.3
85.06522	22.9
91.05457	45.4
93.07035	40.0
95.04949	87.0
95.08601	22.7
97.02889	7.4
97.06509	12.7
98.98437	4.3
99.04441	6.9
101.05977	9.3
102.69698	4.8
103.05497	5.0
105.07014	77.2
107.04951	16.1
107.08579	28.0
109.06502	95.4
109.10155	6.0
110.07047	4.7
111.04387	7.8
111.08053	35.0
113.05972	37.2
115.03938	5.9
117.07004	12.5
119.04906	12.4
119.08559	24.3
121.02930	5.1
121.06482	33.6
121.10140	7.9
123.08052	11.0
125.05997	6.1
127.03893	8.1
127.07510	26.3
128.06230	7.5
129.05461	6.2
129.06989	12.0
131.04932	5.3
131.08517	22.0
133.06454	17.9
133.10123	23.7
135.04407	8.5
135.08017	11.0
135.11646	16.4
137.05945	28.5
141.05424	17.0
141.07014	6.0
142.07742	18.8
143.08556	15.8
145.04926	10.4
145.06441	8.4
145.10121	21.0
147.08038	8.4
147.11661	25.2
150.05476	14.0
151.07506	5.8
157.10124	38.7
159.06532	24.8
159.08058	13.7
159.11681	30.5
161.09598	25.8
163.11116	14.6
165.01810	76.1
165.06921	8.5
169.10057	7.4
173.08086	10.5
173.09575	8.0
175.11179	41.1
177.12773	8.0
177.58856	4.8
179.10652	8.2
183.02869	73.2
185.09569	36.6
187.11156	21.9
191.03346	6.3
191.10680	5.7
193.06406	6.3
193.12225	33.6
203.10612	52.1
205.12263	11.9
211.03896	15.2
213.09111	23.3
221.06006	5.8
221.11720	71.7
225.09045	14.9
225.11058	8.3
229.04953	7.5
231.10075	16.6
239.03236	7.6
239.12767	19.0
241.16362	6.0
249.11162	26.1
253.08630	26.7
257.04422	44.0
267.02817	7.9
267.12262	31.3
267.15878	7.1
284.96161	5.1
285.03900	100.0
285.07538	37.1
285.11249	21.9
285.16797	7.7
285.29718	5.1
286.04355	7.6
286.20212	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41387	0.7
53.03928	2.1
55.01848	1.0
55.78455	0.6
57.03416	1.5
57.07071	0.9
63.00039	1.8
64.97897	0.8
67.05490	1.4
68.99769	0.7
69.03405	2.1
69.07051	1.2
70.06567	3.0
70.19131	0.6
71.04990	0.8
71.08623	0.8
71.78870	0.9
72.08118	0.9
77.03929	0.9
78.04702	1.5
79.05473	3.2
81.03420	1.3
81.07043	2.4
83.04953	1.5
83.08590	0.8
84.04488	1.3
84.08127	1.1
85.02894	1.4
91.05468	11.7
93.07040	15.2
95.04944	4.3
95.08589	1.7
97.06523	1.0
97.31485	0.6
98.98438	1.5
103.05458	8.4
104.82455	0.7
105.03397	1.2
105.04385	0.7
105.07005	4.9
106.04163	1.4
107.04939	3.0
109.06491	0.9
110.07171	0.8
111.08115	0.8
113.05984	1.6
115.05418	0.8
117.07027	0.8
119.04930	1.2
119.08574	0.7
121.06493	22.3
123.04400	5.3
124.05201	2.6
124.07549	2.0
129.10231	0.8
131.08501	0.7
132.99538	0.9
133.06473	3.5
135.04393	1.1
136.41118	0.7
137.05983	2.2
139.07559	0.8
145.10028	0.9
147.04375	1.5
147.11671	0.8
149.05965	35.7
151.03891	2.4
151.07539	0.7
152.04657	2.2
161.05962	5.4
163.03923	2.2
165.06932	0.9
166.06245	9.4
167.07024	100.0
168.07454	1.4
169.07007	0.7
174.49854	0.6
179.07051	1.5
180.07730	1.0
181.04950	2.9
181.08571	49.9
182.08969	1.3
193.06497	1.0
193.08549	2.2
197.01433	1.0
207.10155	1.2
211.09624	49.8
212.09923	1.2
213.05476	1.5
221.05969	0.8
222.96883	0.8
225.09140	1.4
240.03328	0.8
249.07677	1.2
249.11224	0.8
253.08475	3.5
257.04486	1.1
267.14307	1.1
285.03903	7.5
285.07355	1.5
285.11414	2.1
285.12961	1.1
285.15097	4.1
285.18372	1.3
285.29886	0.9
286.03912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1329
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
50.14503	0.3
53.03923	0.6
54.64546	0.2
55.01852	0.8
55.05495	2.1
57.03430	1.9
57.07072	0.3
58.45612	0.3
64.18801	0.2
65.03925	0.5
67.05491	4.0
68.99788	1.1
69.03416	3.1
69.07053	0.9
71.01324	0.4
71.04976	0.8
71.81394	0.4
79.05028	0.3
79.05479	4.5
81.03406	22.4
81.07043	6.9
83.04969	3.8
83.08609	5.1
83.48577	0.2
85.02895	1.2
85.06535	0.6
91.05466	5.1
93.07028	3.4
95.04951	10.9
95.08574	1.6
97.02866	0.7
97.06489	1.4
97.10152	0.4
97.62955	0.3
99.04421	0.3
99.08093	0.3
101.05995	0.8
101.74248	0.2
103.05482	0.4
105.07021	6.2
107.04936	2.6
107.08566	2.6
109.02860	0.3
109.06498	6.8
109.10136	0.7
111.04427	0.8
111.08060	4.7
113.05991	2.1
115.03931	0.4
115.05431	0.7
117.06989	1.3
119.04913	0.8
119.08561	3.3
121.02900	0.3
121.06490	2.3
121.09367	0.3
121.10135	1.5
123.04411	0.4
123.08001	0.6
123.11711	0.4
125.05975	0.3
127.07528	0.5
129.06975	2.7
131.05006	0.3
131.08528	2.7
133.06464	1.9
133.10126	2.2
135.04410	0.4
135.07985	0.6
135.11662	0.8
137.05969	1.6
137.09557	0.5
141.05405	0.6
142.07738	1.6
143.08543	0.7
145.06439	1.3
145.10098	1.7
147.04341	0.5
147.08005	1.1
147.11646	3.0
149.09602	1.1
155.04910	0.4
155.08450	0.3
157.06557	0.4
157.10089	4.5
159.06522	0.8
159.08026	0.7
159.11659	1.5
161.05966	1.0
161.09637	1.6
163.11192	1.2
165.06999	0.6
165.12709	0.6
169.10135	0.6
170.07285	0.4
173.05934	0.4
173.08194	0.4
175.11163	4.8
177.01830	1.5
177.12744	0.3
179.10738	0.2
181.04848	0.4
181.12149	0.5
183.04501	0.4
185.09543	2.1
187.03868	0.7
187.11119	1.0
188.11668	0.3
189.05431	0.4
191.03374	0.7
191.10686	0.3
193.06477	0.7
193.12219	13.0
200.04649	0.4
201.05478	2.6
202.05745	0.4
202.92006	0.3
203.10619	2.9
205.12149	0.7
210.06625	0.5
211.03842	1.1
211.13235	1.9
213.09088	1.2
215.03340	1.0
216.04190	0.7
217.04918	1.0
221.05998	0.9
221.11691	3.4
225.09129	1.5
228.04085	2.2
229.04913	6.6
230.05255	0.5
231.10204	0.7
235.07559	0.3
239.03343	1.4
239.12790	0.9
239.17886	0.5
243.02928	1.3
249.11148	1.0
253.08582	1.7
256.03659	2.5
257.04395	14.7
258.04761	1.2
260.03159	3.7
261.03757	0.6
267.02927	0.4
267.12259	1.2
267.15869	3.7
285.03894	100.0
285.16992	1.2
286.04239	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	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.6
55.01852	10.1
55.05502	34.2
56.96546	6.3
57.03431	35.0
57.07068	6.6
65.72105	3.8
67.05492	61.1
69.03419	47.9
69.07044	12.5
69.90757	28.5
71.04989	28.2
79.05478	55.4
81.03405	74.8
81.07044	95.2
81.07787	4.0
83.04971	64.1
83.08604	25.7
84.96058	3.8
85.02887	61.5
85.06537	31.0
86.74689	3.6
91.04933	5.8
91.05466	72.7
93.07027	55.2
95.04955	100.0
95.08574	30.6
97.02881	7.7
97.06507	17.6
98.20791	6.1
99.04420	4.6
101.05972	11.1
105.07017	76.2
107.04950	21.6
107.08572	38.0
109.06503	84.1
109.10131	10.4
111.04410	12.7
111.08070	36.8
113.05991	32.0
115.03838	4.4
115.05400	4.6
115.52871	3.6
117.06973	17.2
119.04925	4.9
119.08582	39.7
121.06467	27.4
121.10124	15.4
123.04384	10.7
123.08040	12.7
123.11687	9.3
125.05946	5.7
125.09583	4.0
127.07568	21.6
128.06235	5.8
129.05458	13.0
129.07004	27.3
131.08557	31.3
133.06464	16.7
133.10109	33.1
135.04349	4.8
135.08020	12.1
135.11656	7.9
137.05957	25.0
137.09544	6.2
141.05415	6.1
142.07794	20.8
143.08542	10.1
145.06416	7.4
145.10078	26.2
147.08003	10.2
147.11687	38.0
149.09589	12.6
151.03894	5.8
151.07536	5.8
151.11145	5.4
153.01801	19.6
153.09045	3.9
155.06973	5.0
157.10100	50.2
159.06506	14.9
159.07999	12.7
159.11661	27.0
161.05977	10.1
161.09589	18.5
163.11147	10.7
165.07042	8.8
165.12747	6.4
167.01854	3.6
167.03416	4.4
172.08820	4.2
173.08052	10.8
173.09567	8.3
175.11159	42.9
177.12692	6.7
179.10643	6.0
181.12131	5.3
185.09631	29.0
187.11183	22.1
189.09151	8.0
193.06497	6.2
193.12227	86.7
199.02499	5.0
203.10612	38.4
205.12265	8.6
210.06757	6.8
211.13268	45.9
213.09039	20.5
221.00996	3.9
221.05894	11.0
221.11699	51.8
222.12135	4.1
225.09045	15.5
225.11134	6.9
229.04918	17.2
231.06570	5.8
231.10136	20.6
231.13751	5.0
239.12704	14.6
249.11206	17.7
253.08554	33.0
257.04352	16.5
267.06290	6.4
267.12192	30.6
267.15894	11.4
285.00772	4.7
285.03949	96.5
285.07318	9.6
285.11285	16.8
285.16925	65.0
286.04434	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	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.1
53.52534	1.0
55.01869	2.1
55.05498	1.9
57.03439	6.6
57.03659	1.4
57.07068	1.5
62.11640	1.1
63.00032	1.2
67.05495	4.1
69.03415	8.6
69.07063	1.3
69.65182	1.0
70.06573	4.8
71.04975	1.4
71.81140	1.6
71.81539	1.5
75.04461	2.3
79.05483	8.0
80.06269	1.1
81.03422	6.0
81.07049	7.5
83.04977	8.1
83.08610	2.0
85.02894	1.8
85.06534	5.5
91.05471	16.1
93.07033	4.7
95.04932	7.2
95.08573	2.1
97.06502	2.4
98.98464	1.1
99.04431	1.4
100.11238	2.6
103.05442	3.6
105.03400	4.4
105.07010	18.6
106.04172	2.3
107.04945	10.0
107.08593	2.4
108.05701	1.5
109.06495	9.2
111.04402	1.7
111.08092	2.0
113.05992	8.0
114.05515	3.8
115.05462	2.5
116.07052	1.4
117.06953	1.3
118.04110	1.2
119.04932	21.7
119.08564	2.1
121.06496	8.4
121.10084	1.8
123.04404	3.7
123.08035	3.3
125.05951	2.1
127.07532	3.1
129.07010	1.1
130.06499	2.0
131.04903	2.2
133.06470	14.2
133.10126	2.2
134.03606	3.5
135.04399	5.8
135.08070	1.7
135.11603	1.2
136.05180	4.6
137.05951	5.6
138.03111	1.8
140.04662	9.5
141.05424	2.0
144.08035	1.3
147.04414	5.1
149.05969	13.2
151.03940	1.5
151.07542	11.8
153.05449	83.5
154.05809	1.1
155.04837	1.5
157.10170	1.4
159.06485	6.1
161.05974	30.8
165.05600	2.4
167.07048	15.2
167.08385	2.0
168.07803	72.7
169.08284	1.2
170.05980	3.4
171.06404	1.5
175.11292	2.0
177.05478	2.2
179.07007	8.9
181.08588	4.0
182.09154	1.4
193.08580	42.9
193.12207	4.0
196.05653	2.1
196.07294	58.3
197.07570	1.7
201.05432	1.8
203.10623	2.5
209.08067	6.4
210.08763	1.6
211.03902	14.0
211.09634	61.0
221.11682	3.5
222.96831	1.5
228.04149	1.8
229.05057	3.1
239.03316	8.9
239.12785	1.6
240.03818	1.4
256.03818	2.0
257.04437	13.4
258.04630	1.8
267.02814	7.1
267.12296	4.3
285.03912	100.0
285.07230	4.1
285.13095	3.8
285.18652	1.5
285.24033	3.5
286.04269	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	285.1328
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
51.84783	4.1
55.01852	7.3
55.05505	24.5
56.96569	6.3
57.03431	13.0
57.07068	5.6
61.07168	3.8
64.77676	3.5
65.03934	6.8
65.85289	3.5
66.71005	3.6
67.05496	46.8
68.99799	5.2
69.03423	46.3
69.07064	10.2
69.17027	3.7
69.74488	3.7
69.75089	29.9
71.04991	23.6
79.05484	51.2
81.02988	6.9
81.03407	50.7
81.07046	71.7
82.35607	4.1
83.04965	55.7
83.08598	19.6
85.02890	30.6
85.06527	32.7
91.05466	48.3
93.07029	49.4
95.04953	93.6
95.08600	18.6
97.02895	6.3
97.06522	15.0
98.21494	9.6
99.08131	4.3
101.06013	8.9
105.07024	61.5
107.04929	20.2
107.08567	32.3
109.06503	80.4
109.10190	6.4
111.04443	14.5
111.08068	40.3
113.05981	33.9
115.03934	4.5
115.05415	7.2
117.07019	12.8
119.04917	12.3
119.08560	33.5
119.75658	3.7
121.06503	27.7
121.10136	16.2
123.04417	7.5
123.08057	11.8
123.11670	4.5
125.05986	5.2
127.07560	12.6
129.05469	13.2
129.07019	13.9
131.08542	21.1
133.06503	15.6
133.10109	28.6
135.04420	7.3
135.08072	7.7
135.11705	8.9
137.05962	26.9
137.09631	6.4
139.03880	5.4
139.07507	4.4
141.05423	5.3
142.07741	18.5
143.08566	13.0
145.06467	8.8
145.10133	19.1
147.08058	10.8
147.11670	30.8
149.09612	9.1
153.01723	9.2
157.10129	38.7
159.06558	12.8
159.07999	8.6
159.11684	26.8
160.08846	4.9
161.05952	9.3
161.09616	27.7
163.11154	13.0
165.06984	11.4
165.12752	7.7
171.07941	5.3
173.08099	8.1
173.09531	6.0
175.11150	35.4
177.12730	8.1
179.10648	11.9
181.12215	12.0
182.07205	5.8
185.09631	28.7
187.11188	19.4
189.09106	5.6
193.12206	43.5
199.76120	3.9
201.05522	4.2
203.10655	46.5
205.12248	8.5
210.06499	4.4
211.13272	18.5
213.09068	20.4
221.06097	7.5
221.11702	62.7
225.09180	9.8
225.11227	9.5
229.04965	18.2
231.10129	13.4
239.07172	4.6
239.12766	13.8
249.11169	23.2
249.14931	4.5
253.08621	28.8
257.04581	20.7
267.12234	31.1
267.15863	7.7
285.00778	5.6
285.03909	100.0
285.07254	8.2
285.11179	15.7
285.13589	5.4
285.16800	39.8
285.21906	5.3
286.04404	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	285.039
Annotation	Coccineone A
Peak:m/z	Relative Intensity
55.05499	0.3
57.03418	0.3
67.01849	0.3
67.05491	0.3
68.99503	0.1
68.99781	0.8
69.07041	0.2
69.48711	1.1
71.04958	0.1
77.03976	0.1
79.05454	0.3
81.03404	0.5
81.07047	0.9
83.04941	0.1
83.08589	0.2
85.02880	0.3
89.63725	0.1
91.05450	0.5
93.06978	0.2
95.04926	0.2
95.08577	0.3
95.53008	0.1
97.06467	0.1
105.07001	0.4
107.08531	0.2
109.02843	0.1
109.06504	0.1
111.41445	0.1
117.06969	0.3
119.08553	0.2
121.02830	0.3
121.10094	0.2
123.00777	0.2
123.11703	0.1
129.06920	0.2
131.04938	0.3
133.06552	0.1
145.06461	0.5
147.04369	0.4
147.11670	0.6
149.02301	0.2
149.09496	0.1
155.04883	0.4
157.06573	0.1
159.04413	0.1
161.05954	0.4
163.03828	0.1
165.06990	0.2
165.12735	0.2
173.02272	0.2
173.05936	0.5
175.11208	0.2
177.01805	1.8
178.02243	0.1
178.03712	0.1
182.07210	0.1
182.52843	0.1
183.02864	0.1
183.04405	0.3
187.03917	0.7
188.04503	0.1
189.05464	0.4
191.03369	0.2
193.12230	0.4
200.04620	0.3
201.03624	0.2
201.05446	2.8
201.09065	0.1
205.04875	0.1
210.06721	0.2
211.03902	0.9
211.13220	0.3
212.04280	0.2
215.03380	1.2
216.04152	0.7
217.04939	1.5
221.06009	0.2
225.09084	0.5
228.04126	1.8
229.04913	6.2
230.05301	0.3
231.02924	0.2
232.03775	0.2
239.03339	2.3
240.03947	0.2
243.02892	1.3
253.08548	0.8
256.03622	2.4
257.04410	14.3
258.04794	0.7
260.03116	3.5
260.64731	0.1
261.03806	0.8
267.02945	0.3
268.03711	0.1
268.13278	0.1
284.03058	0.1
285.03888	100.0
286.04248	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.039
Annotation	Coccineone A
Peak:m/z	Relative Intensity
50.55712	0.1
55.01855	0.1
55.05483	0.2
57.03413	0.3
63.33977	0.1
67.01838	0.2
67.05505	0.4
67.88411	0.1
68.99768	0.8
69.07045	0.1
70.81358	0.1
70.88703	0.3
71.04982	0.1
79.05481	0.5
81.03371	0.2
81.07048	1.2
83.04943	0.1
83.08567	0.1
85.02877	0.1
85.06509	0.1
91.05466	0.4
93.07018	0.3
95.04922	0.1
95.08582	0.3
105.07014	0.6
107.04926	0.1
107.08545	0.2
109.06481	0.1
111.00764	0.1
115.05414	0.1
117.06951	0.2
119.04939	0.1
119.08546	0.4
121.02847	0.4
121.10094	0.2
123.00813	0.1
123.11681	0.3
129.06946	0.2
130.70398	0.1
131.04868	0.2
131.08430	0.1
133.06444	0.1
133.10109	0.2
135.04323	0.1
145.06480	0.2
147.04355	0.3
147.11658	0.9
149.02383	0.2
155.04880	0.5
157.06436	0.1
161.05960	0.6
163.03854	0.2
165.06953	0.2
165.12778	0.4
173.02396	0.1
173.05922	0.6
175.11247	0.1
177.01820	1.3
181.04933	0.1
183.04358	0.3
187.03912	0.6
188.04695	0.1
189.05473	0.4
191.03368	1.4
193.06392	0.2
193.12202	0.2
200.04654	0.3
201.05440	2.5
205.04932	0.2
210.06677	0.2
211.03874	0.7
211.13229	0.2
215.03369	1.1
216.04155	0.6
217.04953	1.5
221.05949	0.3
225.09117	0.4
228.04149	2.0
229.04930	5.7
229.14404	0.2
230.05182	0.2
231.02863	0.1
232.03600	0.2
238.05974	0.2
239.03334	1.9
240.04121	0.2
243.02882	1.4
243.06538	0.3
244.03403	0.1
253.08568	0.9
256.03659	2.1
257.04419	14.4
258.04739	0.5
260.03143	3.3
261.03824	0.7
267.02704	0.1
267.15762	0.1
268.03650	0.2
270.04092	0.1
285.03900	100.0
285.16461	0.9
286.04236	5.3
286.07446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.039
Annotation	Coccineone A
Peak:m/z	Relative Intensity
51.83232	0.2
52.01240	0.2
55.05502	0.3
57.03418	0.5
63.79490	0.2
67.01852	0.5
67.05481	0.7
67.58342	0.2
68.99775	0.6
70.53559	0.8
71.04970	0.7
75.13328	0.2
79.05465	0.5
81.03388	0.7
81.07039	0.6
83.08617	0.3
85.02889	0.5
85.06525	0.2
91.05455	0.5
93.07026	0.4
95.04965	0.5
95.08617	0.9
103.05484	0.2
105.07026	0.6
107.08546	0.2
109.10126	0.4
113.05959	0.9
117.07004	0.3
119.08558	0.4
121.10194	0.2
123.04389	0.2
123.08053	0.5
131.08537	0.4
133.10123	0.4
137.09605	1.6
145.06473	0.4
147.04367	0.2
147.11639	0.4
149.02391	0.2
155.04932	0.3
155.07030	0.4
157.10124	0.3
161.05965	0.4
165.09103	0.3
169.08594	0.3
173.05919	0.5
175.11102	0.3
177.01811	1.3
179.55011	0.2
181.08589	0.3
183.04382	0.5
187.03888	0.4
193.12241	0.7
197.11708	2.1
200.04668	0.3
201.05426	2.5
207.13829	0.2
211.02139	0.2
211.03825	0.9
211.13278	0.7
215.03372	0.8
216.04149	0.4
217.04973	0.9
217.35800	0.2
225.09111	0.3
228.04132	2.1
229.04930	6.0
230.05238	0.2
231.02882	0.2
235.13084	0.2
239.03346	1.6
240.04254	0.2
243.02901	1.0
253.08424	0.5
256.03647	2.3
257.04422	14.4
258.04794	0.6
260.00375	0.4
260.03122	3.7
261.03824	0.5
267.15897	0.5
285.03900	100.0
285.16718	1.5
286.04227	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	285.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36900	0.1
55.05489	0.4
57.03419	0.4
57.07063	0.2
67.01880	0.2
67.05499	0.8
68.99777	0.6
70.14015	0.4
70.14431	0.4
71.04974	0.7
79.05468	0.5
81.03416	0.9
81.07016	0.8
83.04957	0.2
83.08598	0.5
85.02898	0.7
85.06546	0.2
91.05466	0.6
93.07026	0.2
95.04944	0.6
95.08576	1.1
99.04429	0.1
105.07037	0.8
107.08562	0.3
109.06487	0.2
109.10152	0.5
111.08074	0.5
113.05997	1.0
119.08556	0.7
121.02852	0.3
121.10130	0.3
123.04424	0.2
123.08073	0.6
129.07018	0.2
131.04958	0.2
131.08530	0.3
133.06519	0.2
135.08127	0.2
137.09608	1.7
138.34662	0.1
145.06482	0.3
147.04436	0.3
147.08040	0.3
147.11674	0.5
149.09630	0.2
151.07568	0.2
155.04944	0.5
155.06987	0.3
155.10674	0.2
157.10110	0.2
161.05974	0.6
161.09691	0.2
165.06992	0.2
165.09129	0.2
165.12790	0.3
169.08582	0.4
169.12227	0.4
173.05977	0.5
175.11240	0.2
177.01828	1.0
181.08537	0.4
183.04446	0.5
187.03857	0.5
191.03365	0.2
193.12250	1.1
197.11723	2.4
200.04617	0.3
201.05443	2.0
207.13864	0.4
211.03957	0.7
211.13313	0.7
215.03404	0.9
216.04140	0.6
217.04926	1.0
221.05998	0.3
225.09076	0.3
228.04141	1.9
229.04938	6.1
230.05276	0.3
235.13196	0.3
239.03381	1.1
240.03979	0.3
241.05063	0.2
243.02901	0.9
253.08586	0.5
255.41721	0.1
256.03647	2.3
257.04431	15.3
258.04752	0.5
260.03137	3.9
261.03845	0.7
267.02859	0.3
267.15836	0.4
284.03238	0.2
284.29486	0.2
285.03909	100.0
285.16647	1.4
286.04260	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	284.0987
Annotation	Guanosine
Peak:m/z	Relative Intensity
53.63492	0.2
55.01867	0.2
56.96549	0.7
57.03431	0.3
61.02902	0.2
69.03424	0.4
69.95599	0.5
69.96012	0.7
70.99266	0.2
85.02881	0.5
89.03889	0.3
97.02882	0.3
98.97548	0.3
109.05105	0.5
110.03506	1.9
128.02292	0.2
128.04546	0.8
134.04535	0.2
135.02998	4.0
135.04074	0.2
135.04448	0.2
138.64659	0.2
143.00137	0.2
145.02823	0.2
147.04398	0.4
152.05655	100.0
153.02795	0.3
153.04068	6.5
153.05205	0.2
153.06009	0.6
163.03912	1.4
173.44136	0.2
182.03360	0.3
228.30629	0.3
260.44955	0.2
278.69962	0.2
284.09949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	3.2
57.07051	2.2
61.02900	4.0
63.00043	2.1
67.69790	1.3
68.48595	1.4
69.03414	12.6
69.07056	20.4
70.06583	2.3
71.04964	1.4
73.02896	3.2
81.03392	3.9
81.07042	2.6
84.04494	1.7
84.08122	2.2
85.02889	69.6
87.04408	1.6
87.08090	100.0
88.07624	1.8
91.03939	2.2
97.02876	14.4
98.21484	3.3
98.98438	1.6
99.04445	2.8
105.07018	1.9
108.08089	2.2
109.02844	5.9
110.10456	1.7
127.03883	16.5
128.60211	1.4
145.02762	1.5
145.04927	24.1
147.04379	2.2
154.08600	3.2
163.03891	5.4
163.06007	5.1
284.06064	1.8
284.29391	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	283.19
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
53.00299	0.7
55.05503	5.6
57.03421	3.1
57.07065	100.0
58.07389	1.4
67.05479	2.3
69.07056	55.5
69.60276	7.6
70.07391	1.9
71.01353	1.1
79.05483	4.6
80.43893	0.8
81.07045	6.0
83.01331	2.0
83.04966	1.5
83.08620	1.3
85.06528	26.5
86.06830	1.0
91.05479	2.2
93.07022	2.9
95.04935	1.0
95.08580	4.1
97.10159	8.9
99.04372	1.2
105.07013	2.0
107.04905	0.9
107.08594	2.4
108.66862	0.9
109.06496	3.6
109.10118	1.7
119.08555	5.3
121.10142	5.2
123.08052	3.2
125.09623	2.2
127.07535	42.6
128.07881	1.5
131.08481	1.3
135.11662	1.7
137.09630	1.3
138.07567	0.9
139.11151	3.6
143.08530	1.2
143.10680	1.0
145.10107	2.3
163.11182	1.9
165.09088	33.2
167.10690	2.5
169.08641	1.4
171.08057	3.9
181.12170	1.1
183.10141	42.5
184.10542	1.5
187.14729	1.3
205.15869	7.3
215.12773	9.6
223.16916	4.4
227.12685	1.2
233.15317	15.5
234.15741	1.4
239.90395	1.0
241.08456	1.0
251.16388	2.7
257.49875	1.0
265.18005	1.5
268.10861	1.3
283.12912	7.4
283.15689	2.2
283.18884	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	283.2053
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03923	1.8
55.01860	4.8
55.05503	15.9
57.03418	6.5
57.07058	6.4
58.79909	1.3
61.41077	1.4
62.48301	1.5
65.03916	2.8
67.05494	24.5
69.03429	7.2
69.07063	15.1
71.04977	17.2
71.80823	1.8
77.10513	1.6
79.05486	23.3
81.03384	2.1
81.07046	44.0
83.04962	4.9
83.08609	8.7
85.06483	2.3
91.05465	25.4
93.07033	44.5
95.04959	18.2
95.08597	28.2
97.06503	7.6
99.08077	1.6
103.05452	1.7
105.07017	59.3
107.04911	1.7
107.08582	34.2
109.06512	11.5
109.10146	21.2
111.04375	1.9
111.08081	3.1
115.05449	2.4
117.07000	14.0
119.08561	45.2
121.06503	8.4
121.10128	81.2
123.08054	9.2
123.11684	6.0
125.09580	2.0
128.06186	3.5
129.06985	9.6
130.07750	8.9
131.08559	32.1
133.10121	34.1
134.10522	1.9
135.08072	10.6
135.11681	13.6
141.06897	2.4
142.07715	7.9
143.08525	20.2
144.09291	3.7
145.10109	56.7
146.07263	3.8
147.07957	4.4
147.11653	12.9
149.09540	2.1
149.13281	3.6
153.12654	2.3
155.08566	4.8
156.09293	6.4
157.10110	21.9
158.10880	7.3
159.08017	6.4
159.11685	17.9
161.09608	30.2
161.13200	3.6
163.11169	12.9
165.06946	2.0
167.08591	2.7
169.10048	7.7
170.10927	3.3
171.11694	16.9
173.09608	5.5
173.13242	64.0
174.13612	2.6
175.11174	4.6
175.14761	9.1
179.08519	5.8
181.10065	4.2
181.12166	2.2
182.10872	2.1
183.11717	9.5
185.09682	2.2
185.11740	1.9
185.13219	9.6
187.14777	8.9
189.12784	4.3
191.14259	2.8
193.10103	3.8
194.10902	7.6
195.11687	9.3
197.13261	5.3
199.14786	9.7
201.12708	3.4
201.16335	5.6
203.14215	2.2
205.82208	1.9
208.12338	2.7
209.11716	1.7
209.13290	16.5
210.13797	1.6
211.14688	2.6
213.12781	3.8
213.16338	5.5
215.14369	1.7
221.13321	2.1
223.14832	9.8
225.16222	3.0
227.14267	7.1
237.16458	1.7
239.18088	2.3
241.15871	2.2
241.19389	2.6
255.21095	10.2
265.12299	1.9
265.19473	23.6
283.13165	6.5
283.15424	7.7
283.20508	100.0
284.20688	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	283.1173
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
53.03933	6.0
55.01853	11.3
55.05493	9.9
55.76023	2.7
57.07057	4.0
67.05487	10.6
69.03423	56.0
69.07056	6.0
70.15406	12.4
71.04982	10.9
79.05484	59.7
81.03421	4.4
81.07040	12.4
83.04966	38.1
85.02899	3.2
85.06534	10.0
89.06045	3.7
91.05472	24.7
93.03423	4.0
93.07018	10.4
95.04956	35.7
95.08589	4.1
97.02889	6.5
97.06504	10.7
98.21400	2.8
99.04472	3.5
101.05994	5.4
103.05511	3.9
105.07011	35.0
107.04944	55.9
107.08566	6.7
108.05225	2.9
109.06504	11.5
111.04431	9.3
111.08066	3.0
113.05990	34.0
115.03919	7.3
115.05447	5.3
117.06998	7.5
119.04933	3.9
119.08543	3.1
120.08113	3.2
121.02850	5.1
121.06491	9.4
121.10150	3.9
123.08036	3.4
125.05955	7.1
127.03916	4.0
128.06172	3.1
129.05421	4.2
129.06981	9.7
130.05043	4.1
130.07718	3.7
131.04893	8.1
131.08556	32.0
133.06459	9.5
133.10112	10.1
135.04427	26.1
135.08025	4.9
141.05405	6.9
142.07758	5.5
143.08540	7.0
144.05670	3.9
145.06465	4.2
145.10072	14.1
147.08038	4.8
149.05981	11.2
149.09628	7.6
151.03888	4.9
151.07530	3.5
155.08530	10.8
157.10114	2.9
159.06526	15.4
159.08035	13.2
161.09616	7.4
163.11234	3.8
167.07198	3.2
171.07930	4.2
173.09607	12.4
175.11177	2.9
177.09088	28.9
181.06415	3.7
183.08057	8.3
184.97850	2.8
185.08075	8.2
185.09547	3.5
189.09135	4.8
190.09900	2.7
191.10654	5.3
192.27867	3.1
199.03964	4.1
201.09108	11.5
219.10138	26.7
237.11162	25.2
247.09717	3.8
255.06517	3.3
265.10748	10.1
283.05988	11.0
283.11771	100.0
284.12256	3.9
284.15277	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	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03935	1.8
55.01862	18.5
55.05503	16.2
57.03162	1.6
57.03428	17.6
57.07058	4.0
58.24150	1.6
59.04985	1.4
67.05141	1.4
67.05499	26.4
69.03397	1.9
69.07051	10.8
70.86972	1.3
70.93377	1.4
70.93726	4.7
71.04974	5.5
79.05482	33.8
81.03398	6.1
81.07047	25.3
82.80006	1.4
83.04968	38.3
83.08604	10.7
85.02890	3.5
85.06521	3.7
91.05461	13.1
93.07032	43.5
95.04964	10.5
95.08596	29.5
97.02859	4.4
97.06503	13.0
97.10123	3.4
99.04431	5.5
99.65937	1.4
105.06993	12.1
107.04952	10.9
107.07910	2.2
107.08581	29.9
109.06499	3.8
109.10151	8.4
109.89019	1.3
111.04425	24.8
111.08062	8.9
117.07000	10.0
119.08543	11.6
121.06484	5.7
121.10130	20.5
123.08010	1.8
125.05991	3.2
129.06950	2.4
131.08542	4.5
133.10086	2.4
135.08044	2.8
135.11667	52.7
139.03934	1.3
145.06418	1.9
145.10118	24.1
149.09579	2.1
153.12729	43.8
154.13011	1.3
155.08617	1.8
163.11163	62.0
173.09593	5.7
181.12204	32.9
191.10678	12.7
197.43123	1.4
199.13397	1.9
209.11699	12.6
219.74406	1.2
227.12746	100.0
228.13086	2.8
268.03677	3.3
283.03165	1.4
283.06000	8.0
283.15372	90.7
283.20416	2.2
284.15839	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	283.1537
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.80149	1.3
53.03935	4.6
55.01868	26.0
55.05245	2.9
55.05505	49.5
57.03431	47.1
57.07056	2.2
59.05000	8.1
63.40024	1.5
65.03940	1.9
67.05493	32.9
69.03426	2.3
69.07078	8.5
69.58711	12.4
69.59126	3.3
71.01344	1.9
71.04991	10.9
79.05483	42.5
81.03403	27.1
81.07045	40.2
81.07494	2.8
82.52814	1.4
83.01336	30.1
83.04974	32.7
83.08611	27.9
85.02872	7.7
85.06547	2.7
89.06037	4.1
91.05470	26.4
93.06438	3.3
93.07036	56.6
95.04958	14.3
95.08606	14.6
97.02891	4.9
97.06515	8.8
97.10157	4.1
99.04451	5.7
99.08044	1.6
105.07018	20.7
107.04941	20.1
107.08581	27.7
109.06496	17.0
109.10173	5.3
111.04439	5.5
111.08102	6.0
112.70801	1.5
117.07011	15.4
119.08558	19.0
121.06494	8.0
121.10125	16.2
122.10445	1.7
123.08062	19.6
125.05974	4.0
125.09618	2.9
129.07002	4.6
130.07814	4.1
131.08563	7.4
133.10143	6.0
135.04417	1.7
135.08102	5.5
135.11684	30.4
137.09648	3.6
139.07503	2.4
143.08597	3.0
145.06522	2.7
145.10103	31.5
145.55298	1.5
147.08058	4.9
149.09634	2.7
153.12721	8.7
155.08530	3.3
163.09810	3.8
163.11176	71.3
164.11591	1.8
173.09613	9.3
181.12158	8.5
191.07086	1.4
191.10602	8.3
204.12036	1.4
209.11682	23.0
227.12819	10.2
268.10873	1.9
283.15509	100.0
284.15732	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1172
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
53.03929	1.5
54.51764	0.4
55.01859	5.1
55.05502	3.9
57.03418	1.5
57.07040	0.9
59.04976	0.6
65.03931	0.8
67.05199	0.5
67.05491	5.2
68.99760	1.5
69.03065	0.9
69.03418	16.2
69.07040	1.3
70.75410	1.1
70.75765	0.9
71.01323	1.5
71.04978	3.3
73.02926	0.6
75.05038	0.5
79.05476	8.9
81.03397	0.9
81.07043	5.4
83.04967	12.1
83.08625	0.8
85.02888	0.5
85.06519	1.7
91.05465	5.2
93.07037	6.6
93.47968	0.5
95.04402	0.7
95.04958	7.2
95.08557	1.7
97.02847	1.1
97.06520	2.3
99.04430	0.9
99.08097	0.5
101.05990	1.7
103.05419	1.0
105.07006	4.3
107.04942	7.2
107.08578	2.2
108.02843	0.4
109.02838	3.2
109.06514	4.1
109.10088	0.7
111.00775	1.4
111.04430	3.8
111.08066	3.1
113.05974	5.5
115.03902	2.8
115.05379	0.7
117.07004	2.3
118.04140	0.5
119.04902	1.0
119.08547	2.1
121.02825	1.8
121.06487	4.5
121.10099	1.4
123.04419	1.1
125.05970	3.0
127.03867	1.6
128.06160	0.8
129.05460	5.0
129.06981	1.8
130.07787	0.5
131.04901	1.3
131.08568	3.0
133.06429	1.7
133.10098	2.2
135.04399	9.1
135.08009	1.1
135.11639	1.5
137.02271	1.2
137.05959	1.8
139.03874	0.9
139.07533	2.6
141.05391	0.9
141.06998	0.5
142.07732	0.9
143.08504	1.4
145.06430	1.5
145.10117	4.3
147.04395	0.5
147.08003	0.9
149.05948	4.3
149.09558	1.1
151.07509	1.0
152.06111	0.7
153.05426	1.1
153.07004	1.0
155.08574	2.4
157.04948	1.5
157.06325	0.4
157.10136	1.1
158.07300	0.5
159.06496	1.5
159.07996	2.6
161.05972	0.8
161.09654	0.9
163.07495	1.5
163.11134	1.4
165.06973	0.9
166.87502	0.4
167.07013	1.1
171.04419	1.1
171.06465	0.5
171.07983	0.7
173.08157	0.7
173.09573	4.6
175.06055	0.8
175.07413	0.9
175.11165	1.1
177.09044	3.9
179.10651	1.1
181.04916	5.8
181.06480	2.3
183.08023	1.8
184.05209	0.9
185.06255	0.7
185.08069	13.5
185.09518	0.9
186.08350	0.5
187.07477	0.9
191.10638	2.7
199.03825	2.9
199.07541	1.4
201.09079	4.3
203.03354	0.6
205.08571	1.2
207.10144	2.4
209.05914	1.4
211.07472	0.7
212.04684	1.1
213.05467	2.5
219.10150	6.2
227.03419	1.1
227.06969	7.8
227.12755	1.0
229.05003	1.0
229.08543	1.5
237.05501	6.1
237.11168	24.2
238.05807	0.6
238.11385	1.1
240.04080	1.1
240.15964	0.5
241.04993	0.6
245.04425	0.9
247.02295	0.8
247.09647	4.8
247.12245	0.5
248.36694	0.4
253.10687	3.8
255.02922	2.5
255.06476	32.7
256.06879	1.6
257.04486	0.6
265.04968	2.7
265.10587	4.9
265.18353	0.5
268.03571	1.7
283.02441	8.2
283.05951	100.0
283.11655	6.5
283.15436	1.7
284.03217	0.8
284.06305	6.1
284.09326	0.4
284.18558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
53.36636	2.2
55.01855	9.9
55.05504	10.1
57.07069	2.2
64.04294	2.1
65.03930	4.8
67.05495	9.7
69.03420	52.6
69.07051	4.8
70.10320	11.3
71.01335	4.2
71.04980	7.0
77.03930	3.1
79.05482	60.5
81.03396	4.9
81.07042	13.0
83.04967	35.7
83.08608	3.2
85.06525	8.3
86.67451	2.4
91.05468	23.2
93.07031	8.9
95.04960	31.2
95.08611	3.8
97.02892	6.2
97.06501	12.5
99.04453	6.4
101.06008	3.4
103.05447	6.5
105.03346	2.5
105.07014	35.7
107.04948	53.4
107.08585	5.8
109.06516	8.1
111.04433	8.9
111.08058	3.1
113.05268	3.9
113.05991	35.6
115.03933	10.3
115.05468	5.4
117.07014	8.3
119.04926	7.2
119.08552	5.4
121.02888	5.8
121.06484	9.5
123.04401	5.2
123.08064	2.6
125.05975	3.6
126.10252	2.0
127.03876	2.6
128.06223	4.4
129.05524	4.3
129.06967	12.1
131.04950	5.9
131.08560	32.7
133.06479	11.4
133.10132	9.6
135.04411	16.9
135.08054	6.2
139.03891	5.0
139.07573	2.5
141.05452	8.7
141.06998	2.4
142.07755	5.7
143.08563	6.9
145.06512	5.2
145.10094	12.5
147.08156	3.0
149.05980	4.7
149.09628	3.4
151.03839	2.6
151.07520	4.0
152.05693	3.6
153.05814	3.7
153.07043	5.3
155.08498	11.6
157.06401	3.5
157.10132	4.8
158.07317	4.2
159.06546	9.5
159.08040	12.9
161.06004	2.8
161.09628	5.8
163.11150	4.5
165.06984	3.7
168.14601	2.4
169.06425	3.3
171.07979	3.3
173.09631	13.0
175.07518	2.8
177.09114	30.6
181.06430	2.8
183.08052	11.3
185.08067	5.4
191.10693	9.2
199.03868	22.7
200.04190	2.6
201.09064	12.8
209.11717	4.9
211.07533	5.4
213.05510	3.7
213.09201	2.2
215.03349	4.0
219.10144	26.8
229.08711	4.6
232.73500	2.3
237.11169	27.0
247.09618	5.6
265.10706	7.9
283.06091	5.7
283.11771	100.0
283.15402	3.7
284.12149	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0596
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
55.05463	0.1
55.42212	0.1
57.01558	0.1
59.47400	0.1
65.34647	0.1
68.44850	0.1
69.93632	0.5
69.94041	0.3
83.01309	0.2
83.07655	0.1
83.66427	0.1
93.07011	0.2
161.02345	0.2
171.04422	0.2
184.05127	0.6
186.03055	0.1
202.02451	0.1
209.05916	0.1
211.03830	1.2
212.04651	1.4
216.04080	0.2
223.03934	0.2
226.06360	0.1
227.03391	0.3
234.33363	0.1
237.05374	0.2
240.04146	4.0
241.04642	0.3
244.03633	0.3
251.03322	0.2
254.05856	0.2
255.06494	0.2
265.04843	0.3
267.02902	0.1
268.03622	74.3
269.03983	4.6
283.05969	100.0
284.06305	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	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01853	3.1
55.05492	0.9
56.96555	9.8
57.03435	5.7
57.07056	2.6
60.27044	0.9
61.02918	10.5
67.05501	2.3
69.03052	1.0
69.03425	20.6
69.07065	1.3
70.05090	3.2
70.05499	2.0
70.06581	1.5
71.04967	2.5
73.02908	7.9
79.05474	1.9
81.03396	8.4
81.07039	1.1
83.01325	1.8
83.04976	1.2
84.04502	0.8
84.08126	1.3
85.02895	100.0
85.06033	1.9
85.06532	34.2
87.04449	2.9
89.03880	5.2
91.03945	9.7
91.05464	1.3
93.07051	1.6
95.04946	1.8
97.02879	22.2
98.06041	1.4
98.97556	6.3
99.04459	5.0
102.09220	1.3
103.03958	1.3
103.07574	5.0
107.04951	2.2
109.02876	7.8
110.97536	1.8
111.04428	1.4
111.53612	1.9
112.07581	2.7
115.03935	1.3
116.98605	5.6
117.03356	4.9
119.04916	1.2
120.97862	1.1
127.03901	30.2
128.98608	2.8
129.10072	1.0
130.08621	1.7
134.09625	1.9
134.99631	2.3
135.04399	12.9
135.07990	1.0
136.06166	2.9
139.03891	2.4
143.00162	2.7
145.02986	7.4
145.04942	59.0
146.03253	1.1
146.99629	1.2
147.04387	4.1
147.08025	1.3
150.03197	0.9
150.07751	4.5
151.07605	1.1
153.25447	0.9
156.03293	5.9
161.01208	1.8
163.03891	66.8
163.05937	15.6
164.04210	5.5
164.05330	0.9
165.51169	0.8
168.03343	2.5
173.01166	1.1
174.04340	12.2
175.04517	1.0
177.00677	2.6
181.04939	1.1
181.06966	1.1
186.04349	18.5
187.04651	1.5
189.00696	1.9
191.03740	1.0
192.05380	4.2
204.05438	20.6
205.05685	2.0
207.01653	1.4
211.09761	1.0
219.01694	1.6
222.06538	1.7
229.10606	8.9
237.00653	1.2
237.02827	1.6
254.07045	1.5
261.56787	1.7
274.05865	1.8
282.01413	1.0
282.06421	2.2
282.13675	1.5
282.22098	3.7
300.07706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01866	3.9
57.03422	6.3
57.07059	5.1
61.02930	11.1
69.03428	23.7
71.04980	9.2
71.36359	3.8
71.36693	2.7
72.05330	2.8
73.02892	6.6
79.05482	3.4
81.03422	6.7
83.04977	3.8
84.08128	2.6
85.02896	100.0
85.06528	5.2
87.04469	2.9
91.03935	11.1
91.05473	2.2
95.08598	2.9
97.02880	27.5
99.04446	5.0
105.07008	2.7
107.04972	3.2
109.02875	4.9
110.05930	1.9
113.76170	2.3
125.09623	2.4
127.03894	30.4
134.09656	4.7
136.20584	2.0
145.04944	51.4
147.09158	2.4
148.09482	2.6
150.07686	3.2
157.04922	3.8
163.06020	7.7
176.06963	2.7
180.08624	15.0
208.14307	2.6
217.39758	2.1
227.07149	2.6
264.13147	4.5
264.15976	2.3
282.15057	2.8
282.22192	5.7
283.05991	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	282.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94080	3.0
53.48201	3.4
55.05486	4.1
55.93510	4.3
56.51159	3.2
56.94308	3.4
56.96551	8.0
57.07049	6.8
67.05486	5.2
69.07059	100.0
70.07401	6.7
70.95842	8.4
71.05003	3.6
71.80304	5.1
72.18822	3.3
72.93764	18.7
73.17251	3.2
79.05479	3.4
81.07029	6.3
84.08156	4.0
85.02885	4.1
85.06504	4.7
85.94592	3.4
88.96896	6.4
90.94795	11.6
91.05430	5.0
93.07019	8.1
95.08594	6.5
98.97586	23.2
104.99249	12.2
105.07043	3.5
107.08574	4.1
108.95870	3.6
113.96392	10.0
116.98590	28.3
119.08604	3.4
121.10130	4.6
131.97458	5.6
132.95842	5.8
134.09628	6.3
134.99644	23.7
135.11661	3.9
142.71587	3.1
145.96655	5.5
146.97427	5.5
150.96880	8.1
153.00677	4.1
158.01247	6.3
160.98972	5.7
161.99133	5.2
163.97720	21.7
170.97418	5.3
171.97659	5.5
173.98508	3.9
181.98769	17.9
186.99301	22.1
188.98383	10.7
189.98735	7.2
198.97009	3.7
205.00244	7.6
216.97902	7.6
217.98245	11.2
224.14633	3.0
234.98962	4.6
235.92206	3.9
235.96136	7.0
235.99248	11.9
236.99037	5.1
239.99478	5.9
240.90814	4.0
240.99794	34.3
241.99594	9.5
258.00769	4.5
258.97665	8.0
259.00623	16.1
260.00610	9.9
277.00806	27.4
282.02158	7.3
282.22107	16.2
282.27744	5.4
300.02533	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02376	1.4
53.03947	9.1
55.01856	5.3
55.05508	33.6
57.03167	1.9
57.03431	27.8
57.07068	1.8
65.03911	4.2
67.05498	86.4
69.03410	3.0
69.07062	20.1
69.65566	10.8
71.04967	4.9
71.44229	1.2
73.06538	3.6
79.05486	100.0
81.03405	16.4
81.07049	67.2
83.04968	39.9
83.08609	9.9
85.06564	1.7
91.05470	72.5
92.05787	1.5
93.07037	75.9
95.04958	32.3
95.08005	2.4
95.08596	44.3
97.02854	2.4
97.06502	5.4
97.10152	6.1
102.35330	1.4
105.04496	1.4
105.07018	50.9
107.04940	9.3
107.08582	25.5
108.12719	1.3
109.06482	7.9
109.10143	7.7
111.08046	2.3
111.40691	1.4
115.05431	2.5
117.07009	10.5
117.37078	1.3
119.08568	34.7
121.06461	2.7
121.10114	6.3
123.08050	9.5
127.07521	2.5
128.06184	3.2
129.06985	18.3
131.08566	4.6
133.06491	1.9
133.10110	15.2
135.11649	3.7
141.09106	2.0
143.08562	8.9
145.10107	9.8
147.08054	3.7
147.11667	46.0
149.02327	2.0
151.11276	1.3
153.04372	1.3
155.17915	1.3
159.46718	1.3
161.09572	5.8
161.13257	18.7
171.11687	36.1
189.12730	12.2
207.13805	16.6
281.17450	77.7
282.17722	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	282.1193
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
54.70224	0.1
55.01860	0.4
55.05494	0.2
56.96543	0.2
57.03420	0.8
57.07055	0.2
59.04986	0.6
59.59906	0.1
61.02903	0.7
67.05470	0.2
69.03420	3.0
70.86290	0.2
71.01353	0.3
71.04968	0.5
71.80402	0.2
73.06519	0.2
73.90755	0.1
74.99925	0.1
75.00407	0.2
75.04458	0.6
75.36131	0.2
81.03400	0.2
81.04515	0.8
81.07050	0.2
82.04852	0.4
82.05305	0.4
84.04424	0.1
85.02890	2.7
85.06519	0.7
87.04453	0.8
91.03934	0.2
94.04029	0.4
95.04901	0.2
97.02886	1.2
99.04433	0.4
101.06014	1.3
103.07572	1.0
107.08614	0.2
109.02846	0.4
114.05565	0.2
115.03834	0.2
119.03517	0.8
121.02774	0.2
122.07140	0.7
122.63554	0.2
123.07964	4.3
124.08295	2.9
127.03903	0.6
129.05432	0.2
134.09653	0.4
136.06165	100.0
137.04565	0.7
137.06551	0.4
145.04930	1.5
147.04341	0.3
147.06509	0.6
150.07765	0.2
156.75211	0.2
163.03900	0.5
166.07819	0.2
229.10561	0.2
264.08624	0.3
282.11450	7.8
282.22031	1.0
282.27765	0.2
283.10193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.3
57.03421	2.6
57.07069	86.4
61.02929	4.4
63.04484	46.0
69.03431	16.0
70.75534	10.0
71.04982	6.7
81.03400	3.1
81.06992	2.9
85.02895	35.6
89.12148	2.2
96.98357	2.4
97.02872	8.6
105.07035	2.7
109.20223	2.4
119.10681	100.0
120.08079	3.5
127.03895	9.2
133.06458	3.5
145.05005	3.2
146.79970	2.8
150.58209	2.6
157.04955	4.4
193.08626	3.9
220.13457	3.2
256.01941	2.7
263.09177	2.5
281.04419	3.5
281.10233	4.7
283.03635	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	281.138
Annotation	Loukacinol A
Peak:m/z	Relative Intensity
50.07300	1.5
53.00284	1.6
55.05484	2.9
63.27399	1.4
67.05482	4.7
69.03409	4.5
69.98651	10.6
71.04983	90.0
75.64810	1.8
79.05476	3.1
81.07024	2.2
83.04973	8.6
85.06564	1.9
91.05469	3.2
93.07006	1.9
95.04991	2.0
95.08603	3.8
105.07066	3.0
107.08561	5.7
111.04437	4.4
113.05959	2.4
118.95425	1.4
119.08553	2.6
123.04404	2.9
123.08041	3.1
125.09610	48.2
131.08525	1.5
133.06482	6.2
137.09563	2.7
139.03896	4.1
147.07977	2.6
149.02377	1.7
149.05981	2.3
150.02588	1.7
151.07550	13.0
157.04951	100.0
158.05286	2.9
165.09082	10.7
175.07547	3.0
177.05499	1.6
185.04492	2.0
191.07068	1.4
193.08582	11.2
207.13840	2.7
209.08127	3.3
211.09686	8.9
217.12186	2.1
235.13269	12.3
245.11618	3.6
263.12747	44.7
264.12927	2.0
281.13791	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	281.138
Annotation	Loukacinol A
Peak:m/z	Relative Intensity
55.05493	2.4
55.17946	1.3
57.07063	2.8
63.25951	1.2
67.05486	5.3
68.99778	2.6
69.03422	7.3
69.07066	1.7
69.48373	2.3
69.48779	13.1
71.04981	88.5
72.05334	2.2
79.05469	2.3
81.07059	4.3
83.04971	8.2
85.02831	1.9
85.06511	2.2
91.05461	2.5
93.07047	2.0
94.79382	1.5
95.08591	5.9
98.20638	2.8
105.07015	4.4
107.04949	1.4
107.08585	6.0
109.06493	3.2
111.04443	3.8
113.06002	3.0
118.31707	1.8
119.08596	1.4
123.04436	1.7
123.08089	7.4
125.09612	45.4
133.06459	13.7
135.08084	2.1
139.03911	7.5
147.08073	3.5
147.09131	15.8
149.02310	2.7
149.06017	5.1
150.02705	1.9
151.02879	2.5
151.07529	15.1
157.04950	100.0
158.05280	1.6
165.09093	13.4
175.07524	3.0
189.12718	2.8
191.07019	2.4
191.10645	2.0
193.08527	11.4
197.08122	1.7
203.10661	2.1
207.13800	3.3
209.07973	6.7
211.09637	13.2
217.12199	3.4
235.13316	15.2
245.11734	5.6
262.27078	1.5
263.12735	49.3
264.12997	4.1
281.10281	2.4
281.14557	27.8
282.13412	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	281.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	2.4
55.04242	2.4
55.05499	0.5
56.33627	0.3
68.32974	0.3
69.07059	0.4
70.98096	0.5
70.98456	0.6
75.96261	0.3
80.05054	0.3
81.04531	11.1
81.07009	0.4
82.05312	6.1
85.02890	0.4
100.47536	0.3
101.06011	0.4
108.05581	0.9
110.06040	0.4
110.07167	0.4
115.05556	0.3
122.07138	21.2
123.07915	100.0
124.08290	0.7
130.04935	0.5
136.06163	4.0
149.02278	0.7
150.02676	1.1
151.02840	0.7
152.76820	0.4
160.04297	1.1
165.07707	6.6
264.54681	0.3
266.99832	0.4
281.10635	82.6
282.10913	2.1
299.05945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1379
Annotation	Loukacinol A
Peak:m/z	Relative Intensity
51.62739	1.6
55.05489	1.8
67.05491	7.7
68.99783	2.7
69.03410	7.2
69.07029	1.9
71.04984	100.0
71.10251	5.2
75.40837	1.6
79.05505	2.2
79.61361	1.5
83.04971	8.9
85.06528	2.2
87.24379	1.5
91.05487	1.6
93.07051	3.7
95.04982	1.9
95.08594	3.9
98.20824	1.7
99.04445	1.6
105.07005	5.4
107.04948	1.7
107.08578	5.1
109.06520	3.0
111.04448	3.9
111.08037	2.9
113.05974	2.0
113.25584	1.5
119.08550	3.1
121.63285	1.7
123.04375	1.7
123.08035	7.4
125.09612	48.7
125.10515	3.2
129.23027	1.5
133.06465	15.2
137.05962	1.6
137.09610	1.7
139.03896	5.0
141.09045	2.4
143.08553	1.8
143.97878	1.6
149.02261	2.6
149.05934	2.4
151.07536	20.3
157.04948	100.0
158.05330	2.4
165.09099	13.1
166.09447	2.4
175.07498	4.6
177.05469	3.1
189.12761	3.4
191.07034	3.6
193.08574	14.5
197.08151	2.0
207.13838	3.7
209.08055	5.2
211.09607	14.4
217.12105	3.5
235.13248	14.2
239.59377	1.8
245.11746	4.9
263.12756	50.5
264.12943	2.3
265.09598	1.7
281.10233	7.6
281.13828	20.3
290.10532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2266
Annotation	Micropine
Peak:m/z	Relative Intensity
55.05498	3.5
55.30618	1.0
57.07067	1.9
58.06591	6.2
58.47232	0.9
60.04516	47.7
67.05209	0.9
67.05496	9.3
69.07053	10.3
69.88065	4.8
70.06583	4.7
79.05484	6.1
81.07043	18.9
83.08596	2.7
91.05454	11.4
93.07029	10.2
95.08595	31.3
95.09211	1.6
96.08949	1.4
97.06493	3.1
97.10133	1.6
105.07016	31.8
107.08582	15.1
109.10139	22.7
112.07577	2.7
117.07031	1.1
119.08566	34.9
121.10122	10.9
123.08041	1.0
123.11697	8.1
131.08560	2.1
133.10117	21.4
135.11646	3.5
137.09563	1.3
137.13220	1.9
145.10124	3.0
147.11667	56.7
148.12021	1.6
149.02307	2.9
149.09668	1.2
149.13211	1.5
150.02676	2.2
151.14664	0.9
161.13196	10.5
163.14801	3.1
165.12715	2.9
175.14764	3.5
187.14859	1.1
203.17929	91.9
204.18248	3.5
205.15933	1.4
211.31956	1.0
220.20547	3.7
221.19005	5.7
237.59605	0.9
238.13527	1.0
238.21532	2.1
244.20615	1.2
262.21661	15.5
280.09692	2.4
280.22684	100.0
281.23019	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	280.154
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
52.83551	0.3
53.73815	0.3
55.05496	0.6
56.05031	4.8
57.07061	0.7
63.65147	0.3
64.08534	0.3
65.03914	0.3
66.37611	0.3
67.05494	1.9
69.03439	0.4
70.01335	1.7
70.06573	0.7
71.04994	0.4
74.01748	0.3
74.02431	5.6
79.05479	0.6
81.07043	0.8
82.06573	4.8
84.08130	0.8
91.05480	0.5
95.04906	0.4
95.08585	0.8
97.02882	0.6
98.20663	0.3
100.22791	0.3
103.05421	0.4
105.07036	0.5
107.04942	1.4
107.08540	0.3
109.02837	0.3
109.06523	1.9
109.10172	0.7
111.04417	1.1
112.36945	0.3
115.05418	0.3
117.06979	0.7
119.08589	2.0
121.06507	2.7
122.07246	0.5
123.04412	2.3
123.08049	0.6
124.07577	7.7
124.22459	0.3
125.09595	0.5
128.07063	2.2
129.07036	0.4
131.04918	1.0
131.08553	2.1
133.02814	0.5
133.06487	1.3
135.04385	1.3
137.05965	0.8
137.09595	1.5
144.05710	0.5
145.06470	0.9
145.10158	1.5
147.04402	0.4
147.08031	2.6
147.96724	0.3
149.02342	3.6
149.05957	10.1
149.09627	1.0
150.02654	3.2
151.07533	0.5
157.04997	0.6
157.06459	0.3
159.08035	9.6
163.07541	0.3
165.09097	42.6
166.09456	1.0
174.09081	0.6
175.07545	3.6
175.11017	0.3
176.10686	0.6
177.09062	3.4
179.10637	0.3
181.08635	0.3
185.06013	0.4
188.10686	0.6
189.09116	0.7
189.12674	0.4
191.10657	17.0
192.10081	2.7
192.13861	0.8
201.12691	4.3
203.06955	0.6
207.13768	0.5
216.13849	0.8
217.12250	4.6
218.15366	3.8
219.13802	3.0
221.08131	0.4
234.14862	24.5
235.15187	1.0
236.16515	1.4
245.11644	0.6
261.54471	0.3
262.14520	0.8
263.12756	2.6
269.15082	0.3
280.15402	100.0
281.10300	0.5
281.15799	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.05616	0.5
55.05510	4.1
57.06799	0.7
57.07067	13.5
59.52319	0.4
65.03915	1.9
67.05496	36.5
69.07064	4.5
71.04967	0.9
71.08591	0.7
71.14318	1.0
79.05477	5.3
81.07044	39.0
82.07379	0.7
83.04967	0.9
83.08615	2.1
85.06516	1.0
87.09845	0.4
91.05455	1.6
93.03380	0.6
93.07031	5.7
95.04969	0.7
95.08593	32.8
97.06517	0.7
97.10141	1.3
101.05980	0.4
101.97234	0.4
105.06994	3.3
107.08588	4.2
109.06503	0.8
109.10133	11.1
111.08093	0.6
117.06988	0.8
119.08553	1.8
121.02841	4.1
121.06473	1.0
121.10125	3.7
123.08055	1.1
123.11683	7.0
127.07527	0.6
131.08546	2.6
133.10115	1.8
135.08018	1.7
135.11673	3.2
137.13225	4.6
139.11154	0.5
145.10123	2.1
147.11685	1.5
149.02321	100.0
149.09583	1.1
149.13223	2.0
150.02649	3.3
151.14786	1.7
153.09100	0.6
159.11725	2.5
161.13252	1.1
163.07484	0.6
163.11156	1.2
163.14769	0.8
165.12697	0.5
165.16347	0.5
167.03398	2.7
167.10689	0.7
173.13220	2.7
175.14786	0.9
177.09097	0.5
177.12776	0.8
181.12323	0.9
187.14803	1.0
190.04988	0.9
191.07030	0.7
191.14270	1.2
191.17920	0.5
193.86568	0.4
195.13829	1.4
201.16360	1.3
202.16797	0.5
205.08569	3.5
206.08849	0.5
209.08093	0.9
209.15390	1.5
219.05658	0.8
219.10091	0.5
219.17473	1.5
220.17854	0.6
223.09550	2.8
223.14905	0.6
223.16933	1.3
237.12801	0.7
237.18352	1.0
243.10239	0.7
243.21063	1.6
261.11191	1.6
261.14844	0.5
261.22174	1.2
279.09344	1.3
279.12161	0.9
279.17715	0.8
279.23251	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	279.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71551	0.3
55.05498	0.3
56.96556	0.5
57.07065	12.0
60.68805	0.3
65.03611	0.3
65.03925	1.3
67.05487	1.1
69.03385	0.3
70.06579	20.3
71.57924	0.5
75.49760	0.3
78.57892	0.4
79.05448	0.8
81.07052	1.7
85.02876	0.9
88.07578	0.3
91.05465	12.4
93.03382	0.4
93.07021	0.9
95.08573	1.0
97.02863	0.7
97.06482	0.5
98.97548	0.9
99.08075	0.7
100.07596	0.7
107.04952	0.4
109.06493	0.6
109.10119	0.4
110.07074	0.3
110.51206	0.3
111.04408	0.3
111.08076	0.5
114.05524	2.0
116.07072	49.1
116.98581	0.8
117.09107	0.4
118.06519	0.9
119.04922	10.1
121.02838	3.6
121.03741	0.3
121.03917	0.3
121.06494	1.5
127.07511	0.5
134.03743	0.3
134.99664	0.6
136.07552	52.0
139.07529	1.6
146.05943	1.5
147.04399	2.3
148.03926	0.9
149.02315	100.0
153.01785	0.9
157.08701	0.3
158.99658	0.4
163.03900	0.9
167.03409	2.0
173.07092	2.9
174.05510	0.7
177.00688	0.6
191.08220	1.7
193.90152	0.3
203.11066	0.9
205.08514	1.6
219.05724	0.4
219.07750	0.9
223.09584	0.4
232.22786	0.3
234.07700	0.4
234.11176	0.4
237.08736	0.7
243.10014	0.3
261.08401	0.6
261.11975	0.3
262.10724	2.2
279.09131	0.8
279.13370	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	279.1587
Annotation	Dibutyl phthalate
Peak:m/z	Relative Intensity
57.03415	0.4
57.07067	0.4
63.79529	0.2
69.03400	0.7
69.07038	0.4
70.04591	1.0
77.14066	0.2
79.05462	0.3
83.01326	4.8
91.05479	1.0
93.07031	1.1
95.04971	0.3
105.07010	0.9
107.04906	0.2
107.08565	0.7
109.06504	0.4
116.06200	0.4
116.16096	0.2
117.07009	0.6
121.06489	3.4
121.10119	0.8
123.08113	0.2
129.07053	0.3
131.08540	2.7
133.06424	0.2
134.07234	0.4
135.07030	0.3
135.08040	5.4
139.03880	0.2
141.06973	0.2
144.05676	0.3
147.04385	0.3
149.01236	0.3
149.02341	3.4
149.05960	1.0
149.09602	4.5
153.05438	1.8
159.08046	5.3
161.05933	0.5
162.06743	5.9
163.07523	8.4
164.07814	0.4
177.09085	14.9
178.09401	0.6
181.08557	0.4
187.07529	4.9
188.07936	0.2
190.06201	0.6
193.08530	0.4
205.08575	63.5
206.08923	2.1
208.11223	0.2
209.11693	0.9
211.09587	0.4
223.09618	100.0
224.09937	3.5
261.14789	1.7
268.90039	0.2
279.15881	16.1
280.16156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98624	0.8
56.96272	0.8
56.96555	9.6
57.03449	0.4
57.16465	0.4
69.69169	1.2
69.69579	2.7
71.83755	0.5
71.95241	1.4
74.97591	0.5
82.48232	0.4
84.96015	1.6
85.02848	0.6
88.44620	0.5
98.21471	0.6
98.97566	100.0
102.97013	0.6
106.52829	0.6
110.97541	6.5
112.99100	0.8
114.89324	0.7
116.98601	64.4
119.01910	1.3
124.99091	1.1
128.98592	10.0
131.48993	0.5
134.99634	23.2
140.00166	1.9
140.98546	0.7
143.00153	4.5
146.99644	5.0
149.01199	0.7
153.00713	3.0
158.01254	1.1
158.99634	43.3
161.01208	3.9
161.02885	1.5
165.00702	0.7
170.99614	3.3
177.00687	76.7
189.00685	9.7
195.01736	9.4
200.02315	2.9
207.01723	6.1
219.01735	15.2
221.01782	0.9
225.02557	0.6
237.02788	21.7
249.02696	0.6
255.01244	1.1
255.03838	18.7
255.06502	1.0
257.02649	1.1
260.04373	0.7
273.04871	0.8
278.05621	0.6
279.04022	13.1
280.60434	0.5
297.04913	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98624	0.8
56.96272	0.8
56.96555	9.6
57.03449	0.4
57.16465	0.4
69.69169	1.2
69.69579	2.7
71.83755	0.5
71.95241	1.4
74.97591	0.5
82.48232	0.4
84.96015	1.6
85.02848	0.6
88.44620	0.5
98.21471	0.6
98.97566	100.0
102.97013	0.6
106.52829	0.6
110.97541	6.5
112.99100	0.8
114.89324	0.7
116.98601	64.4
119.01910	1.3
124.99091	1.1
128.98592	10.0
131.48993	0.5
134.99634	23.2
140.00166	1.9
140.98546	0.7
143.00153	4.5
146.99644	5.0
149.01199	0.7
153.00713	3.0
158.01254	1.1
158.99634	43.3
161.01208	3.9
161.02885	1.5
165.00702	0.7
170.99614	3.3
177.00687	76.7
189.00685	9.7
195.01736	9.4
200.02315	2.9
207.01723	6.1
219.01735	15.2
221.01782	0.9
225.02557	0.6
237.02788	21.7
249.02696	0.6
255.01244	1.1
255.03838	18.7
255.06502	1.0
257.02649	1.1
260.04373	0.7
273.04871	0.8
278.05621	0.6
279.04022	13.1
280.60434	0.5
297.04913	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01850	1.5
55.05501	17.6
57.07052	4.4
67.05499	33.0
68.16347	1.5
69.07054	18.0
69.64339	3.5
69.64743	10.2
71.04982	1.7
79.05025	3.5
79.05483	69.5
81.06612	2.1
81.07047	34.5
81.34158	1.6
83.08604	7.9
91.04926	2.6
91.05473	29.2
93.07034	98.7
93.75336	1.6
95.04949	6.8
95.08591	28.7
97.06497	2.9
97.10156	4.0
100.59460	1.6
105.07006	13.7
107.08585	50.1
107.09321	2.5
109.10143	16.4
111.08070	1.5
117.06984	3.4
119.08556	11.9
121.10125	46.0
122.14846	1.8
123.07970	1.9
123.11675	5.6
129.06973	3.7
131.08562	5.1
133.10104	14.4
135.08063	2.4
135.11674	61.8
143.08527	2.7
145.10077	5.7
147.11659	8.1
149.13245	23.7
151.11130	1.5
153.09042	1.8
153.98926	1.5
157.10118	3.0
159.11717	3.4
161.09505	2.6
161.13246	5.2
163.11195	1.9
163.14856	8.8
169.82397	1.5
171.11684	3.8
173.13200	2.9
175.14764	4.3
178.00552	1.6
185.13211	2.5
189.12723	2.2
193.12234	1.7
195.13756	2.2
203.14232	1.9
207.13597	3.1
213.12679	1.8
213.16499	3.3
217.19484	3.4
221.15305	3.3
235.16924	3.7
241.19489	1.9
259.13309	2.3
259.20508	4.8
277.14325	4.4
277.21582	100.0
278.21960	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	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03934	4.4
55.05509	15.7
57.07059	2.3
62.40709	0.9
62.67521	1.0
65.03934	1.2
67.05499	32.9
69.07059	16.4
69.64635	9.6
71.04985	1.5
77.03872	1.6
79.05484	66.5
81.07048	33.3
83.08619	8.9
83.35221	0.9
85.06550	1.8
91.04922	1.7
91.05468	22.9
93.07034	100.0
95.04958	7.8
95.08602	20.5
97.06532	2.1
97.10143	3.4
105.04491	1.6
105.07028	13.6
107.08582	47.5
109.06478	2.1
109.10138	10.3
117.06976	3.5
119.08577	10.1
121.06524	1.4
121.09264	2.3
121.10133	41.1
123.11700	3.6
127.07513	1.2
131.08562	3.0
133.10124	10.9
135.08044	1.4
135.11682	49.4
137.13258	1.0
142.07726	1.1
142.80322	1.0
143.08575	2.0
145.10080	3.7
147.11656	7.3
149.13240	21.8
155.74350	1.1
157.10139	1.9
158.72485	1.1
159.11633	2.8
161.13255	3.8
163.11211	2.0
163.14839	5.3
171.11627	2.8
173.13243	2.9
175.14827	1.6
181.12279	1.2
185.13225	2.3
195.13866	1.6
203.14311	1.5
207.13890	1.7
221.15335	2.9
231.17458	1.6
235.16875	4.6
241.19667	1.7
259.13370	2.2
259.20557	3.7
277.21606	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	277.1429
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
55.01862	2.9
57.03398	0.4
57.07069	1.4
58.54150	0.2
60.26518	0.3
61.15019	0.3
66.35596	0.3
67.05458	0.4
69.03379	0.9
69.07025	0.8
71.79625	0.4
77.03938	0.2
79.05484	1.7
81.03385	0.4
81.07005	0.7
83.01297	1.0
83.04918	0.3
85.06532	0.4
91.05470	4.6
93.07032	2.8
95.04913	0.6
95.08549	0.4
103.05424	0.3
105.07014	3.3
107.01247	1.1
107.04952	1.4
107.08569	3.0
109.06467	1.2
109.10138	0.3
115.05431	0.6
117.07020	2.4
119.04901	0.5
119.08572	3.8
121.06487	10.6
121.10092	0.4
123.08031	1.0
127.03852	0.3
128.06163	0.8
129.06984	3.0
131.04927	0.6
131.08516	1.0
132.05620	0.6
133.06476	4.9
133.10226	0.3
135.04407	0.5
135.08037	13.6
136.08354	0.5
137.05930	0.6
143.08499	0.6
145.06496	0.4
147.04364	0.4
147.08031	10.1
149.06007	1.7
151.03894	0.6
151.07506	0.9
153.05432	0.4
156.09241	0.3
157.06464	4.6
157.10052	0.4
159.08022	0.4
160.05186	0.7
161.05963	15.2
161.09595	0.4
163.03870	3.0
163.07484	0.5
165.05431	0.6
175.03905	0.8
175.07527	23.0
176.08209	0.8
177.05461	0.3
179.06970	0.3
185.05922	2.9
189.09143	1.2
189.12761	0.5
191.06999	1.4
193.08554	1.1
193.10114	0.3
203.07002	100.0
204.07440	2.2
204.09123	0.4
206.10910	0.3
207.10149	0.4
209.08203	0.3
213.12737	0.4
215.07031	0.4
217.08476	0.7
217.12234	1.1
220.12352	0.5
220.89279	0.2
221.08060	62.2
222.08406	1.2
223.11177	0.3
226.09857	0.4
231.13808	1.4
234.22476	0.3
235.14928	0.7
235.16939	0.4
239.09082	1.5
241.12192	0.7
247.11053	0.3
259.13281	21.5
260.13638	0.5
261.12741	0.5
262.10159	1.1
262.13431	0.5
277.14349	88.4
278.14813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.143
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
55.01842	0.6
55.05495	1.0
55.54234	0.2
57.03426	1.2
57.07040	0.6
57.91977	0.2
59.04959	0.6
64.94013	0.2
65.03913	0.4
67.05497	3.6
69.03424	1.4
69.07065	1.3
71.01309	0.2
71.04986	1.8
73.71624	0.2
77.03905	0.2
79.05480	2.2
81.07039	3.5
83.01332	3.7
83.04933	0.7
85.02886	0.5
85.06521	1.0
91.05464	2.4
93.07038	2.2
95.04402	0.3
95.04956	3.8
95.08607	1.2
96.05724	0.2
97.06480	0.6
105.03402	0.2
105.07011	3.3
107.04964	1.1
107.08575	1.6
109.06501	4.7
109.10110	0.3
111.04391	0.6
113.05991	5.6
113.09477	0.2
113.76603	0.2
115.05412	0.6
117.07018	1.0
119.04942	1.9
119.08571	2.7
121.06498	2.2
123.04391	0.8
123.08063	2.5
125.05966	0.4
125.09605	0.3
128.06197	1.2
129.06984	1.1
129.56596	0.2
130.07718	0.6
131.08542	1.6
132.57466	0.2
133.06500	1.0
133.09196	0.2
133.10120	3.1
135.04395	1.8
135.05373	0.3
135.07179	0.2
135.08038	2.4
135.11682	0.3
137.05104	0.2
137.05984	1.7
137.09563	0.3
139.07468	0.2
141.06975	0.5
142.07755	1.1
143.08559	3.1
145.06508	1.4
145.10130	1.5
146.07204	0.6
147.04349	0.2
147.08031	3.0
147.11713	0.9
149.05914	1.2
149.09586	0.5
151.03857	0.2
151.07535	1.9
153.05424	1.4
153.06898	0.4
155.08508	1.4
156.09320	1.2
157.06546	0.5
157.10095	2.6
158.07242	1.1
159.08034	3.1
159.11662	0.5
160.05190	0.4
160.08817	1.2
161.05989	4.1
161.09595	7.2
161.13217	0.6
162.06714	0.3
163.03911	0.2
163.07509	2.2
165.05423	1.5
165.06952	0.7
165.09074	0.8
167.07082	0.4
167.08476	0.4
169.06407	0.3
169.08698	0.3
169.10008	0.4
170.10909	1.5
171.08028	2.0
171.11649	1.3
172.08810	0.6
173.05936	0.5
173.09610	4.5
174.06740	1.2
174.10324	0.7
175.07535	6.7
175.11140	3.1
176.08305	9.6
177.05498	1.1
177.09067	1.3
178.06175	0.3
179.06984	1.1
179.08406	0.3
179.10559	0.3
180.09270	0.9
183.08041	1.4
184.08768	0.4
185.05923	0.2
185.09598	1.6
185.13219	1.5
187.07512	1.8
187.11215	1.0
188.08299	4.1
188.11845	0.9
189.09081	21.6
189.12680	3.3
190.09760	0.4
191.07005	10.7
191.10652	0.7
192.07773	1.2
193.08623	0.4
195.11667	1.5
197.09618	0.3
198.06682	0.3
198.10341	1.7
199.07509	1.9
199.11166	1.4
200.08311	0.4
201.05434	3.5
201.09076	5.5
202.06174	0.5
202.09833	2.3
203.06993	2.2
203.10669	4.1
203.14284	2.5
204.07741	1.3
205.08594	3.0
206.09357	1.3
207.10095	2.0
208.08800	0.4
211.07541	1.8
212.08217	0.3
213.09198	0.5
213.12715	4.7
215.07037	2.2
215.10591	1.3
216.07806	7.1
216.11354	4.4
217.08597	8.5
217.12144	6.2
218.09230	0.2
219.10173	1.0
221.08014	0.4
221.11671	0.4
223.11171	1.2
225.09100	0.6
226.09866	7.6
227.10535	0.6
229.08560	9.4
230.09392	1.5
231.10321	2.9
231.13765	16.1
232.14067	0.5
235.09621	1.0
235.13101	0.3
241.12212	8.0
243.10117	0.5
244.10927	4.5
249.11299	0.6
249.14754	1.0
259.13260	99.1
260.13580	1.6
277.14310	100.0
278.14633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1427
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
50.46241	0.3
52.10783	0.2
53.03941	0.3
55.01858	1.3
57.03419	1.6
65.03918	0.4
67.05501	0.2
69.07056	2.4
69.69274	2.0
69.69690	0.6
79.05476	0.9
80.31610	0.3
81.03360	0.6
81.07027	0.9
83.01307	0.6
91.05454	2.0
93.07023	1.1
95.04926	0.4
95.08549	0.3
105.07008	0.7
107.01272	0.4
107.08575	1.1
109.02206	0.3
109.02853	2.1
109.06503	3.5
113.09622	3.4
115.05452	0.3
117.06989	0.9
119.04951	0.5
119.08528	1.3
121.06496	2.9
127.03884	2.1
129.06995	0.8
133.06445	1.1
135.04376	0.5
135.08031	3.5
137.05952	5.6
137.06995	0.4
147.04352	0.4
147.08015	3.1
149.05952	1.1
151.03822	0.5
153.05457	3.9
157.06389	1.4
161.05963	4.2
163.03882	0.8
163.07481	0.5
165.05449	100.0
166.05785	1.1
175.07516	5.9
185.05965	0.8
191.06972	3.5
203.06999	28.4
206.07770	0.3
207.10115	0.5
209.08061	6.0
221.08238	17.4
221.11685	65.0
222.12027	1.1
231.13832	0.4
234.39517	0.2
239.09129	0.4
259.13290	5.4
270.39145	0.3
277.14319	32.0
278.14700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.143
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
51.34287	0.2
53.03921	0.4
55.01868	2.3
57.03401	0.7
57.07045	0.5
61.46900	0.3
67.05471	0.7
69.03401	0.5
69.07034	0.8
69.30283	0.3
71.04958	0.2
76.67944	0.3
79.05474	1.8
81.07036	0.7
83.01305	0.4
85.06518	0.6
89.03909	0.2
91.05465	4.1
93.07027	2.9
95.04962	1.3
95.08573	0.5
103.05441	0.3
105.06446	0.3
105.07015	3.0
107.01279	0.9
107.04919	0.9
107.08584	2.7
109.02847	0.3
109.06484	0.9
113.05995	2.1
115.05379	0.4
117.07034	2.2
119.04935	0.4
119.08562	3.6
121.05612	0.5
121.06485	9.4
123.08048	0.6
128.06197	0.8
129.06976	3.0
131.04910	0.9
131.08524	0.8
132.05678	0.7
133.06476	4.4
135.04382	1.0
135.08028	13.3
137.05951	0.9
139.03802	0.3
143.08527	0.4
145.06485	0.5
147.04419	0.5
147.06883	0.6
147.08029	9.4
148.80559	0.3
149.05969	1.3
149.97725	0.3
150.81364	0.2
151.03864	1.1
151.07510	0.9
153.05444	0.5
157.06462	4.2
157.10052	0.3
159.08018	0.9
160.05185	0.5
161.05956	14.8
161.09552	0.6
163.03867	2.7
163.07521	0.8
165.05502	1.9
173.09537	0.3
175.03996	0.7
175.07523	21.5
176.08234	0.8
179.03400	0.4
179.07011	0.4
185.05954	2.9
185.13156	0.3
188.08284	0.3
189.09094	1.1
189.12759	0.4
191.07016	2.8
193.08514	0.9
201.09085	0.4
203.06996	99.1
204.07397	1.8
205.08585	0.5
207.10126	0.9
209.08047	0.6
213.12595	0.4
215.07039	0.3
216.07790	0.4
217.08528	1.1
217.12184	0.9
221.08052	60.1
222.08446	0.9
226.09906	0.5
229.08595	0.4
229.82645	0.3
231.13776	2.0
235.16792	0.3
239.09166	1.1
241.12177	0.5
259.13272	21.5
262.10162	0.3
277.14322	100.0
278.14642	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1427
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
53.03927	0.3
55.01637	0.3
55.01862	2.8
56.05073	0.2
57.07060	0.5
69.03412	0.4
70.09682	0.8
70.10093	0.5
71.04977	0.3
79.05490	1.4
81.07036	0.3
91.05458	3.7
93.07018	1.7
95.04945	0.7
98.21418	0.4
105.07008	2.4
105.83331	0.2
107.01262	0.7
107.04923	0.9
107.08562	2.6
109.06483	0.5
111.04420	0.2
115.05365	0.4
116.06161	0.2
117.06999	2.4
119.04879	0.4
119.08566	3.2
121.06480	9.9
123.08001	0.6
127.03901	0.2
128.06198	0.6
129.06998	2.5
131.04904	0.7
131.08521	0.3
131.41272	0.2
132.05644	0.4
133.06470	4.5
135.04364	0.5
135.08029	13.2
136.04773	0.3
136.08333	0.2
143.04819	0.3
145.06436	0.2
147.04378	0.6
147.08023	9.3
149.05984	2.0
151.03897	1.3
151.07462	0.3
157.05220	0.2
157.06451	4.7
159.08037	0.3
160.05182	0.6
161.05957	14.5
162.06274	0.2
163.03876	2.6
163.07545	0.4
164.04196	0.4
165.05466	0.5
175.04115	0.4
175.07521	22.3
176.07939	0.4
179.06963	0.4
182.05058	0.3
183.05452	0.4
185.05948	3.4
188.04659	0.5
189.09091	0.3
189.12703	0.4
191.07016	1.1
193.08559	0.7
197.04691	0.2
203.06995	100.0
204.07358	2.2
207.10118	0.9
209.08063	0.7
217.08652	0.3
217.12181	0.6
220.10521	0.3
221.08054	55.7
222.08340	1.3
231.13751	0.8
239.09131	0.7
241.12151	0.4
259.13254	16.6
260.13715	0.4
276.43076	0.3
277.14307	84.9
278.14673	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.106
Annotation	URSINIC ACID
Peak:m/z	Relative Intensity
53.03940	0.1
55.05493	0.1
57.03415	0.1
57.07069	0.7
58.70638	0.0
67.05476	0.1
68.99782	0.1
69.03411	0.1
69.07050	0.2
70.90030	0.1
70.90348	0.0
71.04992	0.1
79.05466	0.2
81.03405	0.8
81.07044	0.3
85.02883	0.2
91.05468	0.1
92.47466	0.0
93.07008	0.1
95.04945	0.1
97.02330	0.0
97.02870	0.3
97.06525	0.2
105.07001	0.1
107.01292	0.1
107.04946	0.1
107.08599	0.1
109.02844	0.1
109.06496	0.2
109.10096	0.1
117.07024	0.0
119.08526	0.1
121.02879	0.1
121.06480	0.1
123.04395	0.1
124.07529	0.1
125.02338	0.2
127.03889	0.1
128.06209	0.1
129.06938	0.1
131.08548	0.1
133.02769	0.0
133.06450	0.1
133.10081	0.1
135.04385	0.1
135.08110	0.0
139.03868	0.1
141.06946	0.1
143.03383	0.2
143.08560	0.1
147.04393	0.3
147.08000	0.2
149.02316	0.1
149.05986	0.2
151.03856	0.2
151.07497	0.1
152.06967	0.0
153.01744	0.1
154.08586	0.1
161.02313	0.2
161.05957	0.2
161.09581	0.2
162.06654	0.1
163.03929	0.3
163.07498	0.1
164.04570	0.0
164.08275	0.1
165.01799	0.3
165.05460	0.4
165.09055	0.0
167.03265	0.2
168.04164	0.1
171.02901	0.3
171.08009	0.0
173.02319	0.1
173.06021	0.1
175.03879	0.1
175.07524	0.2
176.04645	0.2
177.01952	0.2
177.05446	1.9
178.06087	0.1
179.03383	0.1
179.10626	0.1
181.04845	0.1
183.02908	0.1
189.05464	0.1
189.09084	0.1
190.06129	0.1
191.03333	0.1
191.06978	0.4
191.08658	0.0
191.08946	0.1
191.10605	0.5
192.04160	0.5
192.07808	0.5
193.04939	0.2
193.08511	0.1
195.02837	0.4
199.07552	0.1
201.05490	0.1
202.06152	0.1
203.06993	0.1
204.07791	0.1
205.04933	1.4
205.08565	0.1
206.05722	0.6
207.06200	0.0
207.10138	1.3
213.09067	0.1
215.06973	0.3
217.04982	0.1
218.05708	0.7
219.06496	10.2
219.10060	0.4
220.07266	14.1
220.10837	0.6
221.04398	0.5
221.07599	0.4
229.04924	0.3
230.05649	0.1
231.06517	0.7
231.10066	0.1
232.06912	0.1
232.10899	0.2
233.04395	0.2
233.08046	0.1
234.05197	0.1
234.08853	0.1
235.05975	0.2
235.09546	0.1
235.16716	0.1
247.05980	9.7
248.06746	11.2
248.10394	6.2
249.07347	0.6
249.11066	0.8
253.10635	0.3
259.09631	0.4
262.08292	0.2
277.10657	100.0
278.10989	4.3
280.09293	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	277.0704
Annotation	Annulatophenone
Peak:m/z	Relative Intensity
53.03918	0.3
53.45079	0.2
54.56097	0.2
55.01848	0.2
55.05484	0.3
57.07051	0.9
59.18444	0.2
67.01859	3.2
68.02628	0.4
68.99764	1.2
69.03419	0.3
69.66408	2.0
74.01244	0.2
75.32216	0.3
79.01826	0.2
79.05482	0.3
81.03405	3.0
83.01339	0.2
83.04966	0.6
91.05461	0.4
95.04928	0.4
99.04418	0.2
105.06981	0.4
107.04933	2.0
107.08567	0.2
109.02859	0.6
111.04416	3.4
117.07012	0.2
124.01522	0.3
124.94295	0.2
126.06757	0.2
127.03902	8.8
131.04951	0.3
133.06471	1.3
137.02322	26.2
139.03854	0.5
145.46823	0.2
147.04398	0.2
152.01035	0.4
161.05943	1.1
167.03375	100.0
168.03738	0.9
169.06502	0.2
171.06546	0.4
175.07497	0.3
177.05522	0.2
185.04422	1.5
189.05417	2.3
193.04918	1.1
201.77328	0.2
203.06966	0.3
203.10880	0.2
207.06549	0.7
215.07004	0.8
215.40790	0.2
217.05003	0.8
217.08383	0.3
221.04495	0.2
231.10202	0.4
235.06071	0.4
235.16922	0.3
259.05994	2.7
259.09537	0.7
259.13251	0.4
277.07040	38.6
277.10498	2.6
278.07446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97779	0.4
71.79892	0.6
71.80251	0.5
87.11736	0.4
100.82798	0.4
115.03613	0.5
117.93724	0.4
121.01633	0.5
132.93724	0.4
136.46405	0.4
136.98926	0.4
157.01576	0.4
171.03122	0.4
191.33751	0.4
277.08914	100.0
278.09125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84634	10.7
52.49204	10.8
54.29215	8.8
58.01198	8.6
59.12549	9.7
71.40086	21.2
71.40424	12.0
85.02946	9.6
139.66306	9.8
154.22461	10.5
161.02943	32.1
185.02808	15.8
201.12413	15.0
244.19540	11.4
277.03287	100.0
277.06610	32.7
277.09259	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.05502	2.5
57.07067	2.0
67.05495	5.8
69.03407	1.1
69.07053	15.4
71.04975	3.4
71.80771	1.3
71.81177	1.8
72.48558	1.0
79.05476	3.2
81.07044	12.4
83.04974	1.9
83.08624	2.5
84.49754	1.1
85.06520	5.0
88.07598	1.2
91.05470	6.2
93.07024	11.0
95.04951	2.8
95.08589	8.3
97.06482	1.5
105.07021	9.4
107.08572	10.8
109.06505	4.1
109.10146	6.6
111.08070	18.4
111.11701	1.3
113.09673	5.7
115.05402	1.6
117.06998	2.4
119.08574	9.5
121.06468	4.6
121.10110	7.3
122.07269	4.1
123.08054	17.5
123.11697	2.9
129.06981	5.3
131.08560	11.3
133.10112	6.8
135.08031	24.8
135.11633	5.3
137.05972	1.3
137.09673	1.4
139.11169	4.2
142.07732	2.3
143.08540	3.1
145.10101	7.6
147.11665	8.2
149.09573	2.8
151.49753	1.1
153.05434	5.0
155.08542	1.5
156.09331	2.8
157.10133	6.3
159.11699	11.0
161.09575	3.2
163.11130	3.3
165.12775	2.8
169.10074	1.9
171.11665	22.0
173.09480	1.2
173.13257	7.3
175.11165	1.9
175.14842	2.1
176.11935	4.7
177.12724	1.3
181.12204	17.2
183.11627	2.6
187.11209	1.9
187.14818	1.6
189.12700	4.2
189.16373	1.5
191.06955	2.4
191.14278	100.0
192.14671	2.2
197.13252	2.5
199.14809	7.2
201.12724	2.5
203.08586	2.6
210.82083	1.2
213.16373	2.6
215.10529	1.7
215.14348	1.4
215.17929	4.4
217.10193	2.4
217.15811	8.3
218.10822	3.8
220.16895	1.0
229.12131	1.8
231.11658	1.8
231.17441	2.2
233.13249	10.6
239.10435	1.4
239.17966	2.6
242.09261	1.2
243.09941	1.7
245.09566	3.6
245.13164	4.5
246.10271	3.3
246.14079	1.5
257.11667	6.5
257.18945	12.7
259.11221	1.9
260.11917	7.4
260.15506	2.4
261.12637	5.7
275.05353	1.4
275.14050	20.4
275.17667	14.5
275.20062	51.3
275.27725	6.4
276.11438	3.0
276.14975	8.2
276.17990	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03926	1.8
55.01874	3.2
55.05506	13.6
57.03415	4.3
57.07061	4.7
67.05143	1.7
67.05497	28.6
69.03410	2.2
69.07057	10.7
70.06569	2.9
70.32362	7.7
71.04976	10.8
71.08646	2.0
79.05495	19.7
81.03367	2.4
81.07045	29.5
83.04953	6.3
83.08598	6.1
84.67773	1.8
85.06543	8.5
85.55379	1.5
88.07622	3.3
89.49585	1.7
91.05466	37.3
93.07034	28.0
95.04944	5.0
95.08594	23.0
97.06538	7.5
103.05444	2.0
105.07018	50.8
106.07348	1.7
107.04942	4.8
107.08582	28.0
109.06509	16.7
109.10137	10.3
111.08073	14.5
117.07009	14.8
119.08578	45.5
121.06479	4.4
121.10136	22.1
123.08045	6.1
123.11674	4.6
128.06183	2.6
129.06989	6.5
130.07768	1.7
131.07651	2.2
131.08563	27.9
133.10107	45.7
135.08038	25.3
135.11681	7.7
137.09604	6.1
141.06963	3.4
142.07748	5.4
143.08545	12.3
144.09331	2.2
144.29395	1.4
145.10112	27.7
147.11678	18.2
149.09589	9.5
149.13258	3.6
155.08542	5.6
156.09259	3.0
157.10106	23.0
158.10896	8.4
159.08035	1.8
159.11679	36.2
161.09596	3.4
161.13234	4.9
163.11148	7.2
168.09309	2.0
169.10078	6.2
171.11671	12.5
173.09624	2.5
173.13237	42.7
174.13828	3.7
174.46454	1.6
175.11255	7.5
175.14824	6.5
176.43777	1.5
177.12733	7.8
183.11670	10.1
185.13252	4.4
187.11172	5.3
187.14775	8.1
191.14267	8.9
197.13272	8.5
199.14842	15.2
201.12735	9.0
203.14169	1.7
213.16446	5.4
215.10649	1.9
215.14447	2.4
215.17931	6.2
217.15784	3.8
239.08125	1.7
239.17941	11.0
257.11835	2.6
257.18982	26.5
257.26633	2.4
260.03189	4.0
275.05331	4.2
275.12701	4.9
275.20032	100.0
275.27731	36.8
276.20221	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	275.1639
Annotation	[6]-Dehydroshogaol
Peak:m/z	Relative Intensity
53.03939	1.0
53.86073	0.5
55.01870	0.7
55.05507	14.6
57.03432	0.5
58.69018	0.5
63.55295	0.5
63.78222	0.5
67.01858	1.6
67.05505	11.3
69.03419	1.3
69.07063	7.1
70.73341	1.9
79.05495	3.9
81.07050	7.3
83.01359	0.9
83.04957	1.6
83.08611	9.7
85.02899	0.6
91.05475	4.4
93.07036	15.3
93.63631	0.5
95.04984	1.7
95.08595	11.6
97.06464	0.6
97.10161	12.2
105.07013	2.2
107.04928	1.4
107.08574	4.9
109.06543	2.7
109.10151	43.5
111.04404	0.8
111.08051	0.8
117.07005	0.7
117.48650	0.5
119.08572	2.4
121.06501	3.5
121.10142	10.5
121.29307	0.6
123.08083	2.4
123.11692	1.2
129.06999	1.0
131.08533	1.4
133.06468	1.2
133.10123	1.0
135.04399	2.0
135.08043	3.0
135.11685	5.3
137.05962	11.6
137.09628	1.0
139.07527	5.6
141.05440	2.0
145.10110	2.0
147.08022	2.4
149.05943	4.7
149.09639	1.1
151.07526	15.2
153.05450	9.4
158.07283	0.7
159.08061	2.1
159.11697	0.8
161.05966	4.3
162.06679	0.5
163.03879	3.2
163.07516	2.8
165.05450	7.1
165.09079	5.6
167.07027	95.9
168.07373	1.3
171.11621	0.5
173.06165	0.6
173.09619	1.9
175.07547	5.7
175.11226	0.6
177.05470	1.8
177.09119	4.3
179.07034	7.3
181.04973	3.3
181.08595	3.7
187.07527	1.8
187.11116	0.7
189.09070	1.7
191.07027	21.6
191.10606	2.4
192.07886	0.9
193.08609	12.1
196.08806	0.5
201.09088	3.5
201.12694	0.5
201.32309	0.5
204.07878	0.7
205.08595	13.4
206.09285	1.2
207.10167	1.6
211.14763	0.9
215.07072	0.8
215.10684	1.5
215.14259	0.7
217.12202	0.6
219.06532	2.2
219.10139	20.4
227.10689	0.6
229.12228	1.8
229.15880	2.9
232.10776	0.6
233.11719	1.8
239.14343	1.0
242.09175	1.1
242.12971	0.9
247.13286	1.9
247.16890	1.5
257.11801	3.1
257.15338	13.2
275.12885	10.2
275.16385	100.0
276.16782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.0
56.96555	6.4
57.03422	1.2
58.99851	0.4
60.95883	0.5
61.02925	1.1
67.05502	0.6
69.03426	3.6
69.07041	0.6
69.79264	3.1
70.06587	0.7
71.04986	0.9
72.08143	1.6
73.02912	0.8
81.03401	1.5
81.32957	0.4
83.04971	0.9
84.04488	1.5
84.08127	1.2
84.96021	0.9
85.02892	6.0
87.04445	0.6
89.03909	0.6
89.29317	0.4
91.03918	0.4
91.05501	1.0
95.04939	1.1
95.60677	0.4
97.02881	2.8
98.97569	6.5
101.00903	2.4
109.02850	1.1
110.97562	0.6
111.04445	0.6
113.05997	1.1
114.05508	0.5
116.98608	4.4
117.03285	0.5
117.04014	0.6
119.01905	15.1
119.04906	1.4
120.01969	0.8
121.02858	1.4
123.04405	1.3
125.06001	0.4
127.02444	0.6
127.03916	1.3
127.09573	0.5
128.02312	0.5
128.07079	0.4
128.98587	1.9
130.04974	1.2
131.01874	1.0
134.99658	2.5
135.04408	1.5
137.02954	4.5
143.00154	1.0
143.01863	1.2
145.03505	6.5
145.04935	0.9
146.02332	0.6
146.03508	1.2
146.99568	1.4
147.03291	0.7
147.04355	3.9
147.07646	0.5
149.01257	0.7
155.01816	0.5
157.03430	0.8
157.06552	0.6
158.99689	1.4
159.03304	0.5
159.05049	2.7
161.01227	1.7
161.02948	2.4
162.99066	0.6
163.03827	5.7
165.00571	0.6
169.03441	5.6
170.99648	0.5
171.01488	0.6
171.03470	0.5
171.04974	1.3
173.02895	1.1
173.06589	0.5
175.04431	0.6
177.00679	1.4
177.06013	1.3
182.03336	0.8
185.01483	0.6
185.02888	2.7
185.06575	1.0
187.02878	0.6
187.04485	9.5
188.04738	0.8
189.00679	1.3
189.02434	1.8
189.04182	0.6
191.02226	0.5
191.03821	1.4
194.03371	2.5
195.05017	0.6
197.02965	2.4
203.02214	0.6
203.03946	2.1
205.05550	1.3
207.03470	0.6
211.04376	0.5
213.00563	1.0
213.02457	0.6
213.05974	0.6
215.03989	2.7
215.07573	0.5
216.04222	0.9
219.01825	1.2
221.02991	1.1
221.05045	1.1
229.00089	0.7
229.05540	3.2
231.03542	1.5
233.44528	0.5
237.02791	1.3
238.23463	0.5
243.01837	1.3
247.01208	0.9
247.06645	1.7
255.03876	0.7
257.04932	1.4
261.02765	0.8
266.05533	0.6
267.01758	1.0
274.97470	1.2
275.06506	12.2
275.10974	100.0
276.06293	0.9
276.11411	4.6
280.22305	0.5
285.02734	1.1
292.98639	1.3
293.03586	0.6
293.07013	1.4
297.02780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1637
Annotation	8-Methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-ol
Peak:m/z	Relative Intensity
53.03933	0.4
55.01858	0.2
57.07066	2.6
60.40154	0.1
63.86546	0.1
64.27934	0.1
65.03920	0.4
67.05485	0.4
69.07039	0.6
70.85506	0.5
77.03911	0.2
79.05487	2.7
81.03420	0.3
81.06997	0.2
83.01344	0.2
89.03906	0.2
91.05420	0.3
92.59814	0.1
93.03402	0.3
93.07037	0.2
95.01287	0.2
95.04953	0.9
99.00804	0.5
100.53976	0.1
107.04942	2.4
109.02868	1.0
117.03374	0.2
117.06963	0.1
119.08545	0.1
124.11478	0.1
126.04998	0.1
131.08543	0.3
133.06506	0.2
135.04396	14.4
137.02301	0.1
145.10103	0.2
146.81136	0.1
149.05969	0.4
151.03879	1.8
153.05463	0.1
155.08517	0.2
159.08057	0.2
161.05946	0.5
163.03879	41.9
164.04228	0.4
165.09085	0.3
173.09583	0.3
177.05457	4.1
177.09044	0.3
181.04935	27.2
182.05260	0.2
201.09077	1.4
204.06415	0.9
207.10159	0.4
219.10135	100.0
220.10480	1.2
257.11554	0.2
275.16379	36.1
276.16660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
50.24563	0.1
53.00301	0.2
53.03934	0.5
55.01892	0.1
55.05506	0.4
55.73426	0.1
57.03389	0.1
62.15386	0.1
65.03919	0.2
67.01856	3.5
68.02631	0.4
68.99771	0.7
69.03434	0.2
69.88356	1.1
79.01843	0.4
79.05487	0.3
81.03414	0.3
81.07037	0.3
83.04968	0.5
91.05469	0.2
92.02624	0.3
93.07021	0.3
95.04960	0.8
95.08574	0.2
96.02117	0.2
98.20680	0.2
99.04456	0.4
105.07002	0.4
106.87771	0.1
107.01296	0.2
107.04952	0.2
107.08571	0.3
110.90649	0.1
111.02173	0.1
111.04422	3.3
111.52012	0.2
117.07000	0.2
119.08591	0.3
125.05984	3.2
133.10103	0.4
135.04407	9.8
135.05443	0.4
137.02377	0.2
139.03897	0.4
147.11644	0.2
152.01021	0.4
155.03465	0.2
155.94635	0.1
161.09572	0.1
167.03378	100.0
168.03726	1.0
185.04425	1.5
225.89095	0.1
237.03937	0.4
248.67203	0.2
257.19284	0.2
260.03070	0.6
275.05762	1.1
275.09091	20.9
275.19913	1.1
276.09500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01767	0.4
67.05482	1.5
69.03413	1.4
69.86643	0.5
70.12061	1.7
70.12473	1.4
77.00892	0.6
78.63900	0.5
82.63215	0.6
82.99872	1.3
83.04967	1.6
86.99296	0.7
93.03372	1.5
95.04939	2.7
97.02884	1.1
98.97540	0.7
101.00863	14.2
102.00970	0.7
103.02385	0.7
105.00366	0.8
107.61900	0.6
109.01343	1.3
111.04409	2.0
116.98716	0.6
117.03987	0.8
119.01904	63.5
120.01980	2.6
121.02867	4.7
125.04499	0.7
127.02394	8.4
129.03937	0.9
131.01888	1.3
133.03429	1.9
135.50105	0.5
137.02945	16.0
138.03053	0.7
139.03896	1.5
141.03894	0.8
142.03464	1.1
143.01874	3.8
143.05547	1.5
145.03444	44.4
146.03537	1.9
147.04962	1.3
151.02429	1.3
153.03926	1.7
157.03461	10.0
159.05008	1.4
161.02911	6.2
161.06541	0.9
163.04517	3.3
167.01849	1.6
168.04964	0.7
169.03445	45.0
170.03569	2.1
171.01364	1.1
171.05020	10.9
173.02965	0.9
175.04483	3.5
177.06067	0.9
179.01814	1.1
185.02945	21.9
185.06535	1.5
186.03055	0.7
187.04500	64.2
188.04668	2.2
189.02405	2.0
189.06036	1.8
193.03372	0.8
195.05023	4.5
197.02928	9.4
198.03490	0.6
203.03990	6.9
205.05551	10.3
210.06061	1.7
211.04494	4.6
213.02400	0.8
213.06018	3.2
215.03973	13.9
221.02994	3.7
229.05551	34.7
230.05707	1.7
231.03564	2.8
233.04942	0.5
239.03973	2.0
245.05263	0.5
247.06607	21.2
249.04541	1.4
257.05124	4.3
270.08282	0.8
275.06079	100.0
276.06351	4.4
293.07153	19.2
294.07016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0544
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
55.01820	0.5
59.92051	0.3
63.06585	0.2
63.13376	0.3
67.05451	0.4
68.88039	0.2
68.99722	0.9
69.07015	0.3
70.60033	1.1
91.05412	0.4
93.06976	0.4
95.08543	0.3
105.06950	0.6
107.04861	0.3
107.08524	0.3
108.42751	0.3
119.08548	0.3
121.02779	1.2
121.06413	1.1
135.04373	0.3
149.05873	0.6
153.01801	0.7
165.01761	0.4
169.48053	0.3
170.02054	0.3
176.04623	0.6
177.05450	1.3
190.02495	0.8
201.05409	0.6
202.49889	0.3
203.03337	1.0
204.04128	0.8
205.04936	8.5
206.05322	0.3
218.02214	0.3
219.02913	0.6
219.06516	0.4
221.04503	0.3
229.04796	1.6
232.03662	2.1
232.07243	0.4
233.04411	0.5
233.08017	0.5
247.09628	2.8
257.04401	0.5
257.11871	0.4
259.06036	0.4
260.03137	58.7
261.03464	2.4
263.14813	0.3
275.05475	100.0
275.08908	7.2
276.05832	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0545
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
62.36641	0.2
66.97787	0.2
67.05487	0.3
68.96088	0.2
68.99762	0.2
70.15777	1.0
79.05421	0.2
81.03352	0.2
81.07029	0.3
91.05434	0.4
93.06987	0.3
95.04937	0.2
95.08579	0.4
97.02821	0.2
98.21389	0.2
105.06933	0.2
107.04936	3.2
107.08499	0.2
111.04408	0.2
111.08027	0.2
119.08559	0.3
121.02835	0.3
121.06473	0.5
123.08019	0.2
131.04887	0.3
139.03873	5.6
145.03479	0.2
145.06438	0.5
147.11604	0.2
149.05939	1.6
152.00977	0.8
155.01820	0.3
161.05928	0.3
163.07542	0.2
170.01955	0.2
173.05826	0.2
176.04608	0.7
191.06882	0.4
201.05286	0.2
203.03415	0.4
204.04202	0.8
219.02852	1.1
229.04909	0.4
232.03647	3.7
254.18745	0.2
257.04407	0.5
260.03122	67.2
261.03394	2.4
275.05453	100.0
276.05765	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	275.0546
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
55.01838	0.5
55.05502	2.0
56.96540	0.5
57.07043	0.6
59.04958	0.3
67.05495	2.3
69.03394	0.6
69.07051	2.1
71.04944	0.7
71.79411	0.3
79.05482	2.4
79.59670	0.3
79.89486	0.3
81.07044	3.7
83.04944	0.7
83.08578	1.0
85.06497	1.0
91.05466	4.8
93.07036	3.3
95.04939	0.8
95.08592	2.6
97.06479	0.7
97.10136	0.3
99.07984	0.3
103.05441	0.3
105.06364	0.4
105.07015	6.5
107.04927	0.4
107.08575	2.6
107.16016	0.3
109.06454	0.7
109.10139	1.6
111.08083	0.3
113.09584	0.4
115.05399	0.3
117.07004	1.3
119.01892	0.4
119.07768	0.3
119.08566	5.1
121.06501	0.5
121.10108	1.6
123.04395	0.2
123.08018	0.5
123.11666	0.4
125.09623	0.3
128.06187	0.3
129.06970	0.3
131.01845	0.3
131.08545	1.8
133.06480	0.3
133.10103	4.5
135.08002	0.7
135.11658	1.4
136.01563	0.3
137.02328	1.2
137.09599	0.6
139.03885	0.7
143.08514	0.5
145.10110	2.5
147.04367	0.7
147.08041	0.5
147.11674	2.6
149.09570	1.3
149.13222	0.6
150.03058	0.4
153.01823	0.5
153.05437	1.1
154.02591	1.2
155.04893	0.3
157.03421	0.3
157.10078	0.7
159.11742	1.8
161.09544	0.9
161.13191	0.7
163.03976	0.4
163.11124	0.9
163.14706	0.3
164.46048	0.3
169.10107	0.6
171.11667	0.8
173.02928	0.4
173.13196	1.3
175.07428	0.3
175.11151	0.5
175.14783	0.4
176.04648	2.8
176.14227	0.5
177.01813	0.6
183.11649	0.6
186.03081	0.8
187.03903	1.8
187.11180	0.4
191.03371	0.3
191.06969	0.3
193.08531	0.4
193.12199	0.5
197.13219	0.6
199.14757	0.5
201.05464	1.2
201.12732	0.6
203.03378	1.1
204.04164	1.2
211.11137	0.3
214.02539	0.9
215.03311	2.7
215.14409	0.3
217.15868	0.6
219.06343	0.4
222.05408	0.4
223.02322	0.5
229.04993	2.5
229.12065	0.4
231.02881	2.3
231.06053	0.5
232.03622	6.9
233.04407	0.9
233.56291	0.4
237.04004	0.6
239.17926	0.5
243.02892	1.1
244.03696	0.3
245.03500	0.4
247.05962	0.3
257.04413	0.8
257.08105	0.3
257.12601	0.9
257.15228	0.4
257.18988	1.8
258.11243	0.5
259.02341	0.3
259.58282	0.3
260.03131	53.6
261.03464	1.5
275.05463	100.0
275.16605	1.2
275.20032	15.2
275.27435	0.9
276.05783	3.8
276.19595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0546
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
50.06708	0.2
55.15327	0.2
68.95766	0.2
69.07050	0.3
71.02527	0.5
71.02868	0.2
72.19722	0.2
73.35297	0.2
73.46384	0.2
81.07047	0.4
81.57316	0.2
91.05483	0.2
93.07036	0.2
94.92292	0.2
95.08613	0.3
103.05475	0.2
107.01319	0.8
107.08586	0.3
109.10155	0.2
115.05432	0.3
119.08575	0.2
121.02867	1.2
126.59280	0.2
131.04919	0.3
145.06505	0.2
149.13220	0.2
153.01743	0.2
153.30238	0.2
157.10051	0.3
163.03874	0.2
167.03403	0.6
171.04349	0.3
173.05988	0.2
177.05434	0.4
186.03212	0.2
187.03810	1.1
191.06868	0.4
201.05457	2.4
203.03378	0.3
204.04169	0.8
205.04930	0.6
214.02541	0.2
215.03416	2.7
218.02344	0.2
219.06487	2.0
229.04945	3.4
231.02838	0.5
232.03638	13.2
233.03967	0.4
243.02850	0.5
247.05922	1.0
257.04385	1.5
260.03159	5.3
261.03723	0.2
275.05460	100.0
275.20081	0.7
276.05823	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	275.0546
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
55.05494	0.3
60.11516	0.2
67.05495	0.3
68.99798	0.3
69.07037	0.3
79.05473	0.3
81.07021	0.6
91.05459	0.9
93.07034	0.4
95.04942	0.3
95.08567	0.3
105.07016	1.1
107.08569	0.3
119.08522	0.9
121.10104	0.3
133.10095	0.9
135.08076	0.2
145.10133	0.4
147.11694	0.5
161.13210	0.2
163.03928	0.3
166.02620	0.2
167.03320	0.3
173.13199	0.2
176.04716	0.5
178.02618	0.3
183.11578	0.3
187.03833	0.6
190.02573	0.9
193.36249	0.2
203.03362	2.1
204.04143	3.5
207.02919	0.3
215.03288	0.5
216.04175	0.4
218.02069	0.9
229.05174	0.2
232.03625	17.2
233.04074	0.5
243.02754	0.2
244.03627	4.3
245.04414	0.4
247.05960	0.2
257.19211	0.2
260.03131	27.3
261.03485	0.9
275.05453	100.0
275.20026	1.8
276.05820	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0546
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
55.05493	0.3
57.07056	0.3
57.95492	0.2
60.36553	0.1
67.05481	0.6
69.07039	0.6
69.47343	1.1
69.47783	0.7
70.29282	0.1
71.08595	0.2
79.05462	0.4
81.07052	1.6
83.08603	0.4
91.05452	0.3
93.07027	1.0
93.34714	0.2
95.08585	0.9
105.07018	0.5
107.08582	0.9
109.10133	0.9
119.08559	0.4
121.10128	0.8
123.11678	0.5
131.08551	0.2
133.10118	0.3
135.11674	0.6
147.11671	0.2
149.13214	0.9
153.01863	0.4
155.02155	0.2
159.11740	0.2
163.14764	0.4
166.02599	0.2
176.04654	0.5
178.02606	0.3
179.03447	0.3
179.17889	0.2
187.03860	2.0
203.03377	2.3
204.04153	6.3
205.04666	0.2
207.02869	0.8
215.03369	3.0
216.04144	0.2
219.21071	0.3
229.04921	0.2
231.02805	0.3
232.03632	14.6
233.04057	0.6
243.02853	1.1
244.03604	1.6
245.04243	0.2
247.05843	0.2
257.19034	0.2
260.03131	36.0
261.03448	1.5
275.05457	100.0
275.19925	1.1
275.27335	1.5
276.05780	4.0
278.61823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	13.8
57.97333	0.4
69.07047	0.6
69.72102	3.0
70.95857	0.5
71.95256	2.3
76.07374	0.3
78.49928	0.3
81.51570	0.4
98.97566	100.0
101.00863	0.4
116.98604	78.4
119.01901	3.2
121.02837	0.6
122.13589	0.4
130.93286	1.6
134.99635	41.0
137.02919	0.5
140.00186	1.9
145.03412	0.4
148.94270	0.5
153.00687	5.2
158.01271	1.4
161.02931	0.7
167.32266	0.4
169.03380	0.5
172.94342	3.7
175.04721	0.4
177.00980	0.6
187.04503	0.7
190.95364	6.4
197.95181	0.5
208.96410	2.5
214.95259	1.9
215.03993	0.4
216.49846	0.4
221.03006	0.5
223.24571	0.4
232.96425	8.6
233.01135	0.4
249.99294	0.9
250.97482	5.2
256.96396	14.5
257.04858	0.6
261.02997	1.0
274.97455	98.4
275.05890	2.3
275.97742	0.7
292.98517	67.7
293.98914	0.7
297.99075	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	275.0546
Annotation	BR-Xanthone B
Peak:m/z	Relative Intensity
50.51075	0.2
70.11855	0.7
70.12271	0.3
98.20832	0.2
107.01246	0.2
153.01784	0.2
159.56027	0.2
163.03929	0.2
170.02019	0.2
176.04671	0.6
183.25478	0.2
190.02328	0.1
201.05402	0.5
203.03323	1.2
204.04128	1.7
219.02921	0.2
229.04967	1.2
231.02876	0.2
232.03670	3.0
247.05977	0.4
257.04355	0.6
259.02332	0.2
260.03125	73.4
261.03519	2.1
275.05460	100.0
276.05820	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	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03957	1.8
55.05496	15.0
57.07060	7.6
60.73780	1.6
63.76296	1.8
67.05494	25.3
69.03403	2.1
69.07056	40.5
69.27795	1.7
71.82018	2.7
79.05473	14.1
81.07043	65.2
82.07352	2.5
83.08617	14.0
84.49586	1.9
91.05451	11.3
93.07033	36.3
95.08592	77.1
95.09204	3.7
96.08910	2.1
97.10156	14.1
105.07005	25.5
107.08578	59.4
107.37388	1.7
109.06530	2.2
109.10143	65.7
111.11718	4.4
119.08553	28.8
121.10126	53.6
123.11695	48.4
131.08495	1.8
133.10110	21.7
135.11679	33.6
137.13226	11.0
147.11688	18.8
149.12111	3.4
149.13242	53.6
151.03871	7.9
151.13667	1.7
151.14767	8.4
153.05453	7.3
158.25945	2.0
159.11655	3.0
159.67737	1.9
161.09576	2.1
161.13249	26.1
163.07529	1.7
163.14793	29.9
165.05435	6.6
165.16333	2.2
175.07613	2.8
175.14812	13.7
177.09175	2.1
177.16360	21.3
189.09087	2.3
189.16394	20.2
191.17953	10.0
203.17929	16.8
205.08569	3.6
215.06952	1.8
215.18073	1.9
217.08620	10.1
217.19479	29.0
231.10118	7.3
231.20972	2.4
273.07703	1.8
273.11823	2.7
273.14810	41.0
273.23013	3.4
273.25739	100.0
274.15274	4.0
274.27066	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	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01847	1.1
55.05496	5.8
57.03419	1.2
57.07054	2.7
59.04998	1.0
65.03918	1.0
67.05492	8.2
68.19009	0.8
69.03402	1.2
69.07059	5.2
69.95912	5.9
71.04980	6.1
76.76438	1.0
79.05477	6.3
81.07039	7.8
81.30807	1.0
83.04945	3.4
83.08589	2.7
85.02848	1.1
85.06525	4.1
85.97181	0.9
91.05479	8.0
91.98274	1.0
93.07022	10.2
95.04955	29.9
95.08590	8.5
97.06490	3.0
99.08082	2.5
105.07011	18.3
107.08575	12.5
109.06504	32.4
109.10145	7.9
110.48676	1.0
111.08051	4.3
113.05993	1.5
117.07023	5.3
119.04930	1.7
119.07725	1.8
119.08559	25.6
121.06466	1.9
121.10134	8.4
123.04449	2.2
123.08047	20.8
125.09623	1.9
128.06194	2.6
129.07034	5.6
130.07777	2.7
131.08553	16.6
132.47488	0.9
133.10117	12.1
135.08028	9.5
135.11702	4.9
137.09599	11.2
141.06967	1.9
142.07768	7.6
143.08539	15.6
144.09300	2.8
145.10103	42.0
147.04420	2.4
147.08060	5.3
147.11649	18.2
149.09579	3.3
151.07516	2.7
151.11124	4.3
153.01787	4.2
153.07060	1.4
153.09033	1.0
155.08522	4.6
156.09337	9.8
157.10112	27.7
158.10864	4.1
159.08025	4.2
159.11668	17.1
161.09595	6.7
161.13225	4.4
163.11159	3.5
164.93143	1.0
165.06982	1.4
167.08554	1.9
169.10098	5.1
170.10863	2.8
171.11665	27.0
172.12416	3.5
173.09616	11.2
173.13222	25.1
174.10370	2.0
175.11148	9.8
177.12782	2.4
179.10645	1.3
181.10098	3.6
182.10904	6.5
183.11674	4.2
185.09694	1.5
185.13240	10.4
187.11163	17.9
187.14778	7.9
188.12000	1.1
189.12735	19.7
190.13579	1.2
191.14256	1.4
193.10097	1.5
195.09958	1.0
195.11708	3.9
196.12437	2.1
197.13263	14.8
198.13904	1.4
199.11211	11.2
200.11952	2.1
201.12756	3.8
202.02444	1.1
203.14311	5.9
203.18112	1.1
207.11646	1.9
209.13210	2.1
211.14828	5.2
212.15623	3.6
213.12843	5.2
213.16353	15.9
214.13478	1.6
215.14285	42.7
216.14780	1.1
217.12152	7.3
222.14017	1.1
225.12730	2.8
227.14346	2.2
227.17834	3.1
229.15854	4.8
231.17401	17.4
237.16370	4.7
240.15047	2.0
243.13712	1.3
245.04353	2.3
245.19083	1.2
255.17455	34.3
273.03912	13.3
273.07437	5.5
273.15366	3.6
273.18451	100.0
274.04333	1.5
274.18719	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	273.1482
Annotation	2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
Peak:m/z	Relative Intensity
53.03938	0.2
55.01860	0.6
55.05501	1.0
57.03432	1.4
57.07069	0.5
59.05007	0.3
65.03917	0.4
67.05502	1.3
69.03413	0.8
69.07061	2.8
69.81969	0.7
69.82401	0.6
79.05479	1.4
81.07049	3.6
83.00866	0.2
83.01330	3.3
83.04959	0.7
83.08594	0.4
84.04890	0.2
85.02912	0.3
91.05460	1.8
93.07034	1.0
95.04913	0.2
95.08593	0.8
97.06540	0.3
101.45794	0.1
105.07014	2.8
107.04933	0.7
107.08587	1.3
109.06507	3.2
109.10132	0.7
113.05874	0.2
115.05496	0.3
117.06989	0.9
119.04930	0.9
119.08560	1.6
121.06475	1.1
121.10091	0.4
123.04427	0.4
123.08060	0.3
123.11690	0.5
125.05947	0.3
128.06186	0.9
129.07005	0.9
130.07744	0.2
131.08543	1.2
133.06464	1.1
133.10120	1.3
135.04378	0.6
135.08034	1.6
135.11684	0.2
137.05972	1.0
137.09615	0.8
141.06985	0.5
142.07751	0.9
143.08571	1.6
144.09312	0.2
145.06477	1.0
145.10115	0.6
146.07269	0.5
147.04405	0.8
147.08035	1.3
147.11664	0.6
148.05144	0.3
149.05943	0.6
149.09605	0.5
151.02798	0.3
151.03900	2.0
151.07562	0.5
153.01791	0.4
153.05469	2.0
153.06761	0.3
155.08569	0.4
156.09322	0.4
157.06474	0.3
157.10120	2.0
158.07274	0.4
159.08043	1.5
159.11678	0.3
160.08766	0.4
161.05965	3.4
161.09605	2.9
162.06671	0.3
163.03853	0.3
163.07515	2.1
165.05479	0.4
165.09119	0.7
167.07011	0.2
167.08485	0.2
169.10069	0.3
170.10869	0.3
171.08026	1.4
171.11668	0.9
172.08833	0.9
173.05960	0.4
173.09644	1.3
174.06776	0.9
174.10373	0.3
175.03941	0.6
175.07536	6.6
175.11156	3.1
176.08304	0.5
177.05466	0.8
177.09079	0.8
179.07010	0.7
179.08575	0.6
181.10124	0.4
183.08012	0.5
183.11763	0.2
184.08618	0.2
185.09627	1.6
185.13303	0.3
187.07518	1.5
187.11179	1.1
188.08302	1.7
188.11862	0.2
189.05482	0.6
189.09085	5.3
189.12709	1.3
190.06261	0.2
190.09880	4.0
191.07030	2.4
191.10570	0.8
193.08554	0.5
193.10182	0.3
194.10898	0.3
195.11681	0.2
197.09593	0.9
198.06712	0.4
198.10330	0.4
199.07489	0.5
199.11140	0.7
200.08350	0.3
201.05464	0.7
201.09068	2.0
202.06218	0.4
202.09846	1.0
203.06998	1.2
203.10652	8.2
203.14316	0.7
204.07721	0.7
204.11049	0.3
205.08585	2.4
206.09351	0.4
209.13271	0.5
211.07503	0.7
212.08290	0.4
212.11940	0.6
213.09062	1.8
213.12677	0.6
214.09767	0.2
214.53534	0.2
215.07024	7.4
215.10574	3.7
216.07684	0.5
216.11458	1.0
217.08591	11.7
217.11940	2.3
217.15666	0.8
218.09177	0.7
219.10121	1.0
225.09061	1.4
226.09853	1.5
227.10660	0.5
227.14276	1.9
229.08572	12.6
229.11899	1.2
230.09358	3.3
230.12891	1.3
231.10172	5.1
231.13741	4.3
237.12688	0.4
240.11415	1.5
241.12122	0.2
243.10153	4.3
244.10931	3.0
245.11664	1.8
245.15332	7.5
246.15732	0.3
255.13785	3.8
256.14331	0.2
257.11633	0.4
258.12512	1.8
259.13177	0.2
273.14819	100.0
274.15216	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	273.0754
Annotation	4-Hydroxy-2,3-dimethoxyxanthone
Peak:m/z	Relative Intensity
55.05494	0.3
57.07049	0.2
59.98211	0.2
64.34749	0.3
65.03946	0.3
69.07051	0.5
70.40990	0.8
71.04942	0.3
79.05483	0.5
81.07019	0.8
83.08601	0.3
86.41863	0.2
91.05462	0.6
93.06992	0.5
95.04922	0.4
95.08601	0.6
95.13705	0.2
105.07000	0.7
107.08544	0.3
109.10161	0.4
119.04967	0.3
119.08546	0.3
121.06487	0.3
121.10124	0.3
123.04380	0.7
129.06895	0.3
131.08521	0.4
133.10066	0.5
135.11644	0.3
137.02335	0.3
143.08488	0.3
145.10143	0.6
147.04358	0.5
153.01842	1.4
153.07002	0.4
157.10068	0.3
173.02339	0.2
199.14630	0.2
215.03336	0.4
215.06889	0.3
217.05052	0.3
242.05856	0.3
243.02853	100.0
244.03217	3.0
245.04430	1.1
258.05203	35.8
259.05612	1.3
273.04172	3.2
273.07529	85.4
273.18555	1.2
274.07834	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.84784	0.3
67.01852	3.4
67.05470	0.5
68.99770	1.9
69.03414	1.3
69.04417	0.3
69.07057	0.4
70.06561	0.4
71.21987	0.4
71.22326	0.8
79.01858	0.3
79.05505	0.4
81.07054	0.6
83.01331	0.5
84.08125	0.5
84.71580	0.4
91.05474	6.0
91.28425	0.3
93.07012	0.5
95.04957	2.1
97.02866	0.9
103.27480	0.3
105.07057	0.7
107.04944	2.5
107.08605	0.5
111.00804	0.6
115.05381	0.5
117.06985	0.6
119.04926	16.9
121.02861	0.6
121.06501	1.0
123.04417	4.2
125.02394	0.5
131.08559	0.4
135.11736	0.6
137.02322	0.5
147.04388	41.5
148.04727	1.0
151.03932	0.8
151.07492	0.4
153.01805	100.0
154.02127	1.0
157.29057	0.3
159.11681	0.5
171.02869	8.9
171.04332	0.7
171.56586	0.4
179.03380	1.1
181.06491	1.0
187.03822	0.4
189.05458	1.0
203.03345	1.6
213.09097	0.7
215.03392	1.2
217.04987	0.4
217.14391	0.6
227.03325	0.4
231.06506	0.8
240.00717	0.3
240.04317	0.4
241.08514	0.6
243.02768	1.6
245.04398	1.1
249.00282	0.3
252.31885	0.4
255.02995	0.4
255.06485	0.8
271.02322	13.7
272.02695	0.4
273.03961	25.6
273.07544	89.8
273.18451	1.0
274.04355	1.0
274.07877	2.6
289.03366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05497	0.6
67.01849	1.7
67.05492	0.9
68.99779	2.0
69.03407	1.6
69.07058	0.9
71.79710	0.8
72.77181	0.3
76.56378	0.3
77.24738	0.4
79.05465	0.6
81.07055	1.0
83.04956	0.6
85.39588	0.4
91.05462	7.3
93.07031	1.2
95.04930	1.9
95.08558	0.5
97.02864	0.9
99.08073	0.3
105.07012	0.9
107.04921	2.4
107.08580	0.8
109.10128	1.2
111.00770	0.5
111.04369	0.5
115.05411	0.5
117.07023	0.6
119.04929	16.5
119.08559	1.3
121.02872	0.8
121.06483	1.1
121.10135	0.7
123.03517	0.7
123.04416	13.9
123.11719	0.5
128.06200	0.8
129.07008	0.4
131.08554	1.0
133.10092	0.8
137.06021	0.4
139.92178	0.3
141.07057	0.5
143.08578	0.9
145.06459	0.4
145.10088	0.9
147.04390	42.0
148.04689	0.6
151.03874	1.8
153.01805	96.4
154.02156	1.1
157.10193	0.5
159.11719	0.7
161.05968	0.5
163.03897	0.5
171.02879	3.9
171.04234	0.7
179.03352	0.6
181.06468	0.6
184.05212	2.7
185.05927	1.5
189.05472	0.8
199.10989	0.5
211.03772	0.5
212.04646	4.2
213.05463	2.6
213.09012	0.7
213.16316	0.5
227.03391	0.5
229.04919	4.5
231.06470	0.9
240.04173	2.1
241.04974	0.9
241.08472	0.4
242.05681	0.5
243.02980	0.6
245.04485	0.6
255.02835	0.6
255.06598	0.5
255.09973	0.5
255.17329	1.1
257.04398	2.6
258.05295	2.7
273.04086	5.0
273.07535	100.0
273.10846	3.2
273.18347	3.2
273.25769	0.5
274.07831	2.5
284.91968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
65.03914	0.4
67.01855	6.2
67.05501	1.0
68.99783	3.0
69.03407	1.3
71.04980	0.5
71.06238	1.4
79.05479	0.9
81.03393	0.9
81.07033	1.6
83.01326	0.4
83.05009	0.6
90.97962	0.4
91.05468	5.3
93.07037	1.3
95.04951	2.4
95.08592	0.9
97.02866	1.4
105.07023	1.5
107.04984	2.6
107.08579	0.8
109.10170	0.6
111.00799	0.8
117.07021	1.1
119.04928	13.5
119.08573	1.2
121.02868	0.8
121.06478	2.8
121.10099	0.6
123.04425	5.2
125.02322	0.6
127.03938	0.8
129.01830	0.9
131.08563	1.3
133.06424	0.7
133.10043	0.8
137.02287	1.0
137.05962	0.5
141.07010	0.5
145.10115	1.3
147.04390	37.1
147.11652	0.5
149.05942	0.9
151.03922	0.9
151.07556	0.5
153.01807	100.0
153.06956	1.5
154.02109	1.0
157.10139	0.6
159.11713	0.9
171.02872	24.8
171.04276	1.1
171.11653	0.7
171.22261	0.5
177.05647	0.5
179.03389	2.3
181.06493	1.4
187.11110	0.6
189.05440	1.3
200.15529	0.4
209.05937	0.6
213.09103	1.3
217.04909	1.6
227.03333	0.8
231.06551	1.0
241.08626	0.9
245.04411	3.1
249.40474	0.5
255.06439	1.1
255.17767	2.4
273.03973	19.3
273.07553	81.4
273.10843	3.5
273.18475	2.5
274.04416	1.6
274.07904	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0752
Annotation	4-Hydroxy-2,3-dimethoxyxanthone
Peak:m/z	Relative Intensity
55.05485	0.9
67.05480	0.8
68.99782	0.5
69.07052	0.7
79.05466	0.7
81.07022	1.2
84.74658	0.3
87.70351	0.3
90.52191	0.3
91.05462	1.0
92.44492	0.2
93.06999	0.8
95.04926	0.5
95.08565	1.1
98.21603	0.5
102.53318	0.2
105.07011	1.1
107.04919	0.4
107.08551	0.7
109.10118	0.9
113.74760	0.3
115.05426	0.3
117.06951	0.4
119.04916	0.9
119.08531	0.8
120.02119	0.3
121.02865	0.5
121.10160	0.4
123.04420	0.7
128.06197	1.5
129.06943	0.9
131.04936	0.4
131.08505	0.5
133.06508	0.4
139.05405	0.7
143.08536	0.3
144.05728	0.3
145.06476	0.9
145.10089	0.6
147.04414	1.5
147.11667	0.6
149.13254	0.5
151.00224	1.1
153.01807	2.4
155.04860	0.5
156.05669	1.1
157.06461	0.9
160.05214	0.3
161.13188	0.3
165.01768	0.3
170.03598	0.6
175.11154	0.4
175.14742	0.3
176.04027	0.3
183.04419	1.8
184.03546	0.5
184.05182	10.2
185.05962	5.3
195.04263	0.3
199.03879	0.7
200.04535	0.5
211.03873	1.3
212.04649	16.0
213.03342	0.4
213.05437	11.0
217.04977	1.4
227.03365	0.8
228.04181	0.7
229.04921	17.3
230.05440	0.6
231.06499	0.5
240.04152	8.5
241.04890	2.7
242.05609	0.8
243.02815	1.6
244.03664	3.2
245.04468	2.5
255.02721	0.6
257.04401	11.7
258.05209	7.6
258.07544	0.2
259.05798	0.3
273.04013	11.4
273.07520	100.0
273.14883	2.1
273.18423	1.0
273.25903	1.7
274.04703	0.5
274.07831	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	273.0751
Annotation	5,7,2'-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03932	0.6
55.01606	0.4
55.01862	5.8
55.05488	0.4
60.68479	0.2
65.03932	1.6
67.05147	0.2
67.05492	3.8
68.99776	2.8
69.03423	1.1
69.07050	0.2
70.21891	0.4
70.22305	0.4
77.03921	0.4
79.01812	0.2
79.05487	0.3
81.03401	0.7
81.07041	0.2
83.01328	15.7
83.04957	0.4
84.01646	0.2
87.91404	0.2
91.05460	0.5
93.03391	1.9
93.07025	0.4
93.65202	0.2
95.04955	6.0
95.08573	0.7
99.00802	1.8
105.03377	1.9
105.04469	0.3
105.07006	0.7
107.01297	2.0
107.04950	0.2
107.08540	0.4
109.02859	1.3
109.10126	0.3
111.04401	0.4
111.12821	0.2
113.62831	0.1
117.01813	0.3
117.07012	0.2
119.04946	0.2
119.08561	0.3
121.02873	1.3
123.00793	0.5
123.04401	3.2
123.11676	0.2
125.02263	0.2
127.03907	1.1
128.06160	0.3
131.08554	0.3
133.02802	0.6
133.06479	0.2
133.10110	0.5
135.04378	0.4
137.01302	0.3
137.02319	5.8
141.01802	8.8
141.05414	0.3
142.07762	0.2
143.08530	0.7
145.02843	0.3
145.10089	0.6
147.04388	0.4
151.03883	13.0
152.04199	0.2
153.01790	0.6
153.05400	0.9
155.03369	5.3
156.03543	0.2
156.09334	0.2
157.10089	0.5
161.02289	0.5
165.64685	0.2
167.07001	0.1
169.04932	3.2
170.10637	0.2
171.08051	0.4
171.11790	0.3
179.03366	100.0
180.03702	1.9
185.13251	0.4
191.06960	0.5
195.11699	0.4
197.04422	85.9
198.04745	2.0
199.07532	0.4
203.10596	0.2
212.08301	0.2
212.11806	0.2
213.09203	0.2
213.12743	0.8
217.08672	0.4
220.05949	0.3
227.07004	0.7
231.10045	0.3
241.12234	0.3
255.06514	0.7
255.13734	0.3
258.12476	0.2
273.07535	63.9
273.14670	4.6
273.22220	0.5
274.07837	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	273.0385
Annotation	Rheoemodin
Peak:m/z	Relative Intensity
55.01855	0.1
65.03944	0.1
67.01853	0.1
67.05476	0.1
67.71075	0.1
68.99768	0.9
69.07041	0.1
79.05468	0.2
80.62717	0.1
81.03406	0.0
81.07027	0.1
83.01326	0.1
85.02862	0.1
91.05471	0.3
93.07022	0.2
95.04908	0.1
95.08579	0.1
98.21472	0.1
103.05446	0.2
103.22446	0.1
105.03381	0.1
105.07027	0.5
107.04911	0.1
107.08569	0.1
109.02847	0.2
109.06525	0.1
109.10134	0.1
111.00788	0.1
111.04396	0.1
115.05411	0.3
117.07052	0.1
119.04928	0.2
119.08542	0.1
121.06494	0.4
121.10136	0.3
123.04436	0.1
123.08041	0.1
126.75611	0.0
131.08557	0.1
133.02811	0.1
133.06502	0.3
133.10130	0.2
134.78482	0.0
135.04393	0.1
135.11737	0.1
137.02275	0.5
137.05913	0.1
142.07805	0.1
143.04881	0.2
143.08513	0.1
145.10091	0.1
147.04381	0.6
147.08009	0.1
149.05933	0.1
151.03867	0.2
151.07553	0.0
153.01810	0.5
153.05440	0.6
155.08528	0.1
156.09213	0.1
157.10114	0.1
159.07935	0.1
159.11665	0.1
161.05966	0.7
161.09727	0.0
165.05493	0.1
171.04381	0.7
171.11613	0.1
173.09604	0.1
175.03867	0.2
175.11148	0.1
176.04604	0.1
177.05479	0.4
179.06929	0.0
185.09666	0.1
185.13306	0.1
189.05453	1.4
189.09044	0.1
199.03862	0.6
199.14789	0.1
203.03316	0.4
203.07022	0.1
203.14273	0.1
205.04945	0.1
205.08568	0.1
213.12679	0.1
215.10542	0.1
216.03983	0.2
217.04935	12.2
218.05229	0.1
221.04483	0.2
227.03362	0.4
227.14284	0.1
231.02844	0.6
231.10136	0.2
231.13803	0.1
244.03606	0.1
245.04413	27.2
246.04745	0.4
255.02907	0.1
255.13925	0.3
258.12183	0.1
273.03888	100.0
273.14731	2.1
274.04230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1124
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
55.01860	1.3
57.03414	5.4
61.02894	3.7
65.55509	1.1
69.03409	14.1
71.03252	3.0
71.03605	1.5
71.04992	5.8
73.02917	6.8
77.84194	1.2
81.03414	8.8
85.02856	1.9
87.04436	2.3
92.04975	1.4
94.06544	2.5
95.04945	1.3
97.02883	2.7
99.04452	11.9
104.04961	2.6
105.03345	3.4
106.06538	2.4
117.05481	9.1
118.06523	13.2
119.03375	1.9
120.04447	25.2
122.06026	9.5
123.04361	2.2
130.06511	3.9
132.04433	100.0
134.06015	10.4
138.05504	8.5
144.08087	3.3
146.05995	11.4
150.05482	50.5
154.06514	3.0
158.06021	3.3
170.05988	3.1
172.07549	16.4
190.08655	2.6
200.07021	8.6
218.08099	35.8
236.09180	10.0
254.10202	20.1
272.06445	3.3
272.11255	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1124
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03942	0.6
55.01858	0.8
56.96551	4.1
57.03415	1.5
61.02914	3.4
65.03922	1.4
69.03420	4.8
70.06593	0.9
71.04974	0.6
71.28141	0.8
73.02901	1.0
79.05460	0.6
79.96621	0.4
81.03404	2.4
84.08150	0.4
85.02892	20.2
91.03939	1.8
92.04978	4.4
93.03397	0.7
96.08116	0.7
97.02880	5.8
98.97539	0.6
99.04424	1.0
103.03928	0.6
106.06525	2.8
109.02863	1.1
109.05245	1.9
110.06023	100.0
111.04420	1.2
111.06395	1.2
119.04868	0.5
120.04491	0.6
122.06005	3.4
124.99133	1.0
127.03914	3.3
134.05988	7.4
143.00154	4.4
145.04951	4.2
146.05984	1.1
147.04370	0.5
152.07069	3.0
153.01823	0.6
161.01195	4.6
162.05458	0.5
164.07042	0.7
165.88844	0.4
176.07080	1.6
179.02208	0.5
185.01187	1.4
188.07025	0.5
189.00653	1.2
203.02251	0.8
236.09073	1.0
248.99117	0.6
249.02779	4.2
254.10204	2.5
267.03821	4.6
272.11206	2.6
272.16028	0.5
285.04895	1.8
290.05417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
54.66160	0.5
55.01857	2.1
56.73493	0.6
56.96554	2.1
57.03429	8.2
61.02910	4.8
64.92992	0.6
68.99780	1.3
69.03422	15.4
70.18462	3.1
71.01344	0.6
71.04983	4.5
72.85014	0.6
73.02908	10.6
77.03907	0.9
81.03408	10.0
84.04498	1.7
85.02883	4.6
87.04460	1.9
91.03928	0.8
91.05470	1.7
92.04984	1.4
94.06553	3.6
95.04960	1.3
97.02838	3.2
99.04442	12.4
103.03904	0.6
104.04976	3.0
105.03383	3.0
106.06535	2.5
107.04941	0.9
110.06025	1.5
115.03908	1.8
117.05481	9.0
118.06529	12.1
119.03380	1.1
120.04453	33.5
120.48567	0.6
122.06020	12.2
123.04422	2.3
124.99146	1.2
128.07048	1.1
130.06491	3.2
132.04437	100.0
133.04857	1.3
134.05997	11.1
138.05486	9.1
143.00136	2.4
144.08063	4.4
145.06410	0.6
146.05978	11.4
147.04387	0.9
148.03879	1.4
148.07518	0.9
150.05487	60.9
151.05797	0.8
154.06456	3.2
156.06470	0.6
156.08078	1.0
158.06003	2.9
160.07593	1.1
161.01212	2.8
162.05492	0.9
164.07118	0.9
170.06001	1.9
172.07562	19.2
174.07593	1.9
176.07071	1.7
180.06462	0.9
185.01163	0.8
188.07115	0.8
189.00792	0.7
190.08559	3.4
200.07040	11.2
202.05910	0.6
210.11290	0.9
211.07573	0.6
218.08105	41.5
226.10632	0.6
228.12596	0.6
230.05435	0.7
236.09166	9.7
249.02803	2.8
254.10194	20.5
267.03784	3.3
272.06366	5.3
272.11252	99.4
273.07544	0.9
273.11609	1.3
285.04929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03924	4.5
55.01852	3.7
55.05252	2.3
55.05504	35.8
57.03173	1.8
57.03431	27.1
57.07048	3.7
59.04974	1.6
60.19518	1.1
65.03925	2.9
67.05495	58.7
68.99776	4.1
69.03406	2.6
69.06709	2.1
69.07059	33.4
70.06564	1.5
71.04981	13.9
71.08620	7.7
71.27666	2.6
73.02888	2.3
73.06557	1.9
79.05480	23.6
81.03409	1.5
81.07047	89.4
83.04947	5.0
83.08611	23.7
85.02883	2.6
85.06531	10.7
85.83092	1.1
91.05463	20.5
93.07030	25.7
95.04942	3.5
95.08595	100.0
96.08910	1.6
97.06514	15.0
97.10149	6.9
99.04472	2.8
99.08074	17.2
101.02357	5.1
103.05468	1.4
105.07016	20.0
107.04922	2.8
107.08589	9.7
109.02848	3.3
109.06498	4.3
109.10148	16.2
111.08054	4.3
113.06018	1.8
113.09537	1.5
115.07543	1.1
117.07068	1.2
119.04923	1.6
119.08561	22.5
121.06449	1.5
121.10136	8.5
123.08034	7.5
123.11653	2.8
125.06014	2.3
127.03933	1.7
127.07497	1.6
129.06981	1.6
131.04918	2.6
131.08539	2.3
133.10107	18.9
135.08038	1.2
135.11671	9.2
137.09648	3.0
137.13264	6.2
141.06955	2.1
141.09000	1.8
145.06471	1.3
145.10136	2.0
147.11652	2.0
149.09573	2.4
149.13268	3.6
151.03899	3.6
153.06985	2.6
155.04810	1.9
155.08582	1.7
157.10101	2.0
159.11685	1.9
161.13234	35.1
165.06969	5.6
169.06508	1.2
171.13708	1.3
173.05980	4.8
179.14294	13.7
181.04970	1.8
183.04445	2.1
183.08028	3.9
187.03857	1.2
189.81219	1.1
197.05966	3.5
201.05391	6.4
203.03212	1.1
203.06958	1.4
211.07501	3.4
225.05420	2.4
229.04997	6.2
235.13112	1.3
235.16838	1.4
239.06967	1.8
243.06389	2.9
253.04909	1.9
253.18065	5.1
271.02551	2.6
271.05957	35.2
271.09592	8.7
271.19022	93.7
272.06293	2.5
272.11096	1.5
272.19403	2.1
294.64148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05503	40.3
56.69367	2.0
56.96552	5.6
57.03419	5.3
57.07075	13.7
67.05495	39.9
67.77509	1.9
68.99779	8.4
69.03411	4.3
69.07061	100.0
70.06628	2.2
71.04975	6.7
71.08611	5.1
71.81279	2.6
73.06490	2.3
79.05489	13.3
81.07046	55.9
82.07385	2.1
83.04976	6.8
83.08613	41.1
85.06549	4.5
88.08657	1.8
91.05471	18.4
93.07039	23.4
95.04963	3.8
95.08595	56.4
97.06506	10.5
97.10152	41.8
98.97570	8.5
99.04439	3.8
99.08101	5.1
105.07007	19.4
107.08588	20.6
109.02917	3.8
109.06546	3.8
109.10137	24.0
111.04439	2.2
111.08080	4.2
111.11701	12.8
113.09632	2.4
115.07572	3.0
116.98603	8.8
119.08556	17.2
121.06512	2.6
121.10130	22.4
123.08035	3.2
123.11700	21.0
125.09612	2.8
125.13259	5.5
127.07452	2.6
128.98625	3.7
129.06998	2.7
131.04967	2.4
133.10132	17.9
134.99648	4.3
135.11661	17.7
137.09599	6.9
137.13235	7.0
139.03830	3.5
139.11160	8.2
141.07033	3.3
141.09100	2.7
143.08578	2.5
144.98146	2.6
145.10114	3.0
146.99712	4.1
147.11659	14.4
149.13231	4.7
151.03877	2.9
151.11160	19.0
151.14783	2.6
153.06978	2.7
153.12761	4.8
155.04900	2.6
155.08562	3.3
157.06490	4.9
157.10081	2.8
158.99631	3.1
159.11699	2.5
161.13242	11.6
162.28215	2.2
165.06993	5.8
165.12788	7.0
169.06480	2.4
170.99660	6.4
173.06024	6.1
173.09558	3.0
175.14803	5.0
177.00673	4.7
179.14311	5.0
183.04420	3.4
183.08046	3.4
185.06085	3.3
187.03853	2.6
189.00725	9.2
189.05463	2.1
193.19490	3.3
197.05984	7.6
201.05429	7.9
203.07074	3.6
207.17348	2.1
211.07518	5.0
217.19476	32.5
225.05435	4.2
229.05002	9.3
231.01683	2.8
235.13246	2.4
235.16855	2.1
235.20500	24.1
243.06406	6.0
249.02820	5.8
253.04947	4.4
253.17982	2.6
253.21660	12.3
267.03857	3.1
271.02386	10.8
271.05954	55.1
271.09613	16.4
271.13242	5.5
271.17337	3.5
271.20508	5.5
271.23019	2.3
272.06451	4.3
277.85168	2.4
291.03854	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	271.1436
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05491	1.1
57.07063	1.4
65.23608	0.6
67.05506	2.3
68.05007	0.7
68.99791	1.0
69.03424	0.7
69.07059	2.5
71.04961	0.7
79.05494	3.3
80.05028	0.8
81.07048	4.1
83.01318	0.9
85.06537	0.6
91.05463	1.8
93.05816	0.6
93.07041	1.7
94.06567	1.2
95.04964	0.9
95.08607	2.6
96.08133	2.6
98.55136	0.7
99.04501	0.7
105.07039	2.0
106.06515	1.8
107.08587	2.0
108.08104	11.1
109.10176	1.5
117.07016	1.0
118.06582	0.8
119.04916	0.7
119.08564	1.1
120.08076	1.0
121.10172	1.0
122.09652	1.1
123.11742	0.7
129.06975	1.3
131.08546	1.2
132.08054	0.7
133.10144	2.1
134.06006	2.0
135.08101	0.7
136.07576	2.0
142.07768	0.7
143.08578	0.8
144.08107	1.6
145.06467	0.9
145.10135	1.7
153.06857	0.7
154.06580	0.7
155.08568	0.8
157.10094	1.0
159.08052	0.7
166.07809	0.8
168.08099	3.2
168.09360	1.0
169.08835	3.6
170.09653	1.6
171.09193	0.8
171.23528	0.6
172.07585	2.2
173.06058	0.7
173.09615	1.5
174.09169	1.4
176.89836	0.6
181.10156	2.3
182.06046	0.9
182.09616	1.9
183.08029	1.3
183.10390	4.4
183.11745	0.8
185.10785	1.3
186.11546	1.7
191.07123	1.0
194.09645	0.9
196.07579	4.1
197.08347	9.0
197.13319	1.2
198.09126	1.9
198.12755	7.8
199.08652	7.8
199.12390	1.9
200.13020	1.3
203.06979	1.0
208.11208	1.3
210.09186	2.1
211.09880	16.5
213.10226	15.2
213.12057	1.1
214.10925	5.6
215.15480	3.9
221.36768	0.7
226.12236	34.8
227.08377	1.2
227.11736	16.1
228.12537	27.8
229.04929	1.0
229.08707	1.8
239.11800	1.0
241.09715	2.2
242.10495	2.0
243.14932	24.2
244.15421	0.9
253.13562	4.8
254.11742	1.9
255.11246	16.3
255.13785	1.0
256.12048	21.2
271.06125	8.9
271.14417	100.0
272.14740	5.4
272.25739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03936	3.3
55.01868	2.0
55.05504	34.3
57.03426	23.2
57.07063	2.4
57.07333	0.7
58.73250	0.6
65.03927	2.3
67.05492	55.7
68.99781	1.9
69.03422	2.4
69.07053	27.0
69.07434	1.4
71.04978	12.4
73.06556	0.9
75.04503	0.9
79.05480	21.8
81.03388	1.6
81.07044	84.5
82.07387	1.0
83.04966	4.4
83.08606	20.3
85.06526	9.3
87.04447	1.0
91.05029	0.4
91.05463	20.4
93.07028	21.3
95.04944	3.2
95.08591	100.0
96.08915	1.4
97.06510	15.6
97.10144	5.9
98.21519	1.2
99.08079	6.1
105.07011	18.5
107.08575	8.4
109.02889	1.6
109.06503	2.5
109.10132	14.3
111.08057	4.5
113.09648	1.8
115.07550	0.9
117.07017	1.2
119.04939	1.6
119.08566	25.1
121.10127	5.8
123.08055	4.9
123.11667	0.8
125.09582	1.4
126.46668	0.8
127.07523	0.8
131.08578	1.2
133.09297	0.5
133.10109	15.4
135.11649	7.6
135.32777	0.8
137.09564	4.8
137.13225	6.3
141.06915	0.9
141.09166	0.9
145.10060	1.6
147.11719	0.9
151.11215	1.1
151.14789	0.8
153.01788	1.1
153.06885	0.8
159.11731	1.3
161.13229	35.5
165.06979	1.6
167.14131	0.8
173.05994	0.8
179.14270	19.3
181.04897	0.7
183.07968	0.9
197.05957	1.2
197.15331	1.8
223.17627	0.7
225.52849	0.7
229.04866	0.9
229.65971	0.8
253.17995	5.4
271.05884	17.6
271.09515	2.6
271.18964	82.9
272.06250	0.9
272.19342	2.0
276.11331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1326
Annotation	Neocryptotanshinone II
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	1.0
55.05497	2.0
57.07054	0.4
57.48901	0.3
67.05495	1.5
68.99771	0.9
69.03421	6.0
69.07051	5.0
71.04972	0.8
71.79747	0.6
79.05479	2.2
81.07050	2.7
83.01328	63.5
83.04966	0.8
83.08595	0.6
85.02895	3.4
86.45719	0.3
91.05473	4.8
93.07033	2.6
95.04949	1.2
95.08585	2.0
99.04437	7.5
103.05457	1.0
105.07012	7.8
107.04938	0.7
107.08567	2.1
109.06514	0.6
109.10140	2.9
111.04427	0.4
115.05441	1.7
117.07008	3.4
119.04918	1.3
119.08561	4.6
121.06503	1.3
121.10118	3.2
122.10890	0.4
123.04420	1.2
123.08035	0.7
125.02334	1.5
125.05949	0.4
128.06218	2.6
129.06966	2.1
130.07753	1.6
131.04915	0.5
131.08551	3.7
133.05592	0.4
133.06499	1.4
133.10098	2.7
135.04419	0.4
135.07970	0.4
137.05956	1.5
139.03822	0.4
141.06970	1.8
142.07767	2.7
143.08521	4.1
144.09325	0.7
145.06461	5.6
145.08981	0.7
145.10098	9.9
145.11244	0.5
147.04298	0.4
147.08014	1.3
147.11705	0.9
149.05942	1.2
151.03888	4.2
151.07524	1.0
151.11151	0.5
152.06165	0.4
153.06931	1.6
154.07745	1.2
155.08533	6.8
156.09302	1.1
157.06462	1.2
157.10109	4.4
158.07271	2.1
159.04414	0.3
159.08032	3.7
159.11676	3.7
161.05949	2.7
161.09575	1.4
161.13202	0.4
163.03947	0.4
163.07529	0.7
163.11153	1.3
165.05493	0.8
165.06969	1.8
166.07709	0.5
167.08537	3.4
168.05666	0.4
168.09294	2.1
169.06279	0.3
169.10132	3.3
170.07166	0.4
171.08012	8.8
171.11717	0.9
172.08826	1.1
173.05980	3.6
173.09587	21.4
173.13194	1.4
174.06662	0.4
175.03912	1.4
175.07523	2.5
175.11102	0.4
175.14789	0.4
177.05400	1.5
179.07141	0.3
179.08611	0.8
181.04961	0.6
181.06474	0.4
181.10075	1.2
182.10892	4.3
183.08041	4.6
183.11662	7.6
185.05971	1.0
185.09616	2.8
185.13274	0.5
186.06699	0.9
186.10306	0.5
187.03850	0.8
187.07532	4.0
187.09248	0.3
187.09570	0.4
187.11140	4.8
187.14763	0.5
188.08221	1.5
189.05453	2.3
189.09076	0.4
191.06989	0.9
191.08578	0.4
192.09302	1.8
195.06587	0.5
195.08011	2.6
196.08745	0.6
197.05873	0.4
197.09563	0.9
197.13226	10.1
197.14966	0.7
198.06699	0.4
199.07513	1.2
200.08325	0.3
200.11969	0.4
201.05397	3.0
201.09079	47.0
201.12793	1.5
203.07011	6.6
203.14363	0.5
205.04922	1.0
207.06516	1.9
207.11653	3.1
209.09584	0.7
210.10414	3.8
211.07521	6.0
211.11046	1.6
212.08308	0.5
213.05711	0.6
213.09052	9.1
214.06252	2.5
214.09760	1.8
215.07088	3.4
215.10667	5.7
215.14233	4.2
217.08598	0.8
219.06459	4.4
225.09120	0.5
225.12711	8.7
227.06972	1.0
227.10643	2.0
228.07747	1.4
228.11427	12.9
229.08574	71.8
229.12053	17.6
230.09009	1.1
230.12617	0.5
233.08049	0.7
233.11647	0.5
235.11205	1.0
238.09882	1.5
239.10623	0.4
241.08519	2.4
241.12190	0.4
242.09280	1.1
242.12915	0.3
243.13773	52.9
244.14154	0.4
246.08830	0.5
247.09650	0.8
253.12224	6.6
255.10228	0.5
256.10895	2.8
271.13239	100.0
271.20514	2.9
272.13724	1.9
279.39587	0.4
289.14334	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	271.1324
Annotation	Neocryptotanshinone II
Peak:m/z	Relative Intensity
53.03930	0.6
55.01862	0.8
55.05509	2.2
57.03427	0.8
57.07065	0.6
62.89356	0.3
65.03932	0.4
67.05176	0.3
67.05494	1.6
68.99780	1.0
69.03418	5.9
69.07051	4.3
71.04964	0.5
71.06816	1.0
75.99326	0.4
79.05466	2.2
81.07045	2.0
83.01328	60.7
83.04951	0.9
83.08601	0.7
85.02894	2.5
91.05466	3.7
93.07026	3.3
95.04954	1.3
95.08619	2.0
99.04435	6.0
103.01812	0.4
103.05425	1.0
105.07013	6.5
107.04928	0.8
107.08577	1.6
109.06511	0.9
109.10146	3.0
115.05434	1.6
117.06981	3.2
119.04926	0.9
119.08572	4.4
121.06474	0.5
121.10133	2.6
123.04388	0.8
123.08035	0.6
125.02338	1.7
125.09607	0.4
128.06218	2.7
129.07007	2.6
130.07782	1.9
131.04880	0.6
131.08525	3.1
133.06482	1.1
133.10115	2.8
135.04401	0.7
135.07974	0.7
135.11604	0.4
137.05962	1.5
139.03835	0.5
141.06958	2.0
142.07707	2.2
143.08562	4.0
144.05637	0.5
144.09329	1.0
145.06464	5.7
145.10104	9.8
147.08023	1.4
147.11681	1.8
149.05949	0.8
151.03885	3.8
151.07492	0.4
151.11218	0.6
152.06178	0.6
153.05609	0.5
153.06955	1.7
154.07788	1.1
155.08530	6.6
156.09308	0.7
157.06471	0.9
157.10117	3.5
158.07256	1.9
159.04384	0.9
159.08008	3.5
159.11685	3.7
161.05956	1.7
161.09615	1.1
163.03911	0.8
163.11140	1.2
165.05623	0.6
165.06979	1.8
166.07805	0.4
167.08578	2.9
168.09338	1.7
169.06458	0.7
169.10110	3.1
170.07275	0.4
171.08011	9.7
171.09418	0.6
171.11646	0.9
172.08818	1.1
173.05981	3.7
173.09576	17.8
173.13206	1.0
175.03850	1.8
175.07481	2.4
177.05449	1.2
179.07076	0.5
179.08563	0.5
181.04913	0.8
181.10117	1.1
182.07285	0.4
182.10910	2.8
183.08041	5.0
183.11646	5.5
185.05899	0.4
185.09593	2.2
185.13231	0.8
186.06685	1.2
186.10365	0.9
187.03914	0.7
187.07512	3.8
187.11131	4.0
187.14769	0.5
188.08406	1.9
189.05428	2.1
191.07033	1.1
192.09290	1.3
195.06551	0.5
195.08020	3.2
195.11732	0.4
196.08751	0.8
197.05861	0.4
197.09612	1.4
197.13228	8.9
199.07489	1.2
199.11243	0.6
200.08237	0.7
200.11836	0.4
201.05450	2.9
201.09076	42.4
201.12695	1.1
202.09456	0.7
203.07019	7.9
203.14203	0.4
205.04893	0.6
207.06387	1.9
207.11693	2.4
209.09575	0.4
210.10368	3.6
211.05653	0.6
211.07526	5.9
211.11150	1.9
213.09065	9.2
214.06285	2.7
214.09824	1.7
215.07047	4.1
215.10664	5.0
215.14264	4.5
217.08623	0.5
219.06477	3.4
225.09155	0.6
225.12703	7.9
227.07002	1.2
227.10629	2.4
228.07750	1.3
228.11414	11.0
229.08575	66.7
229.12065	18.1
230.08977	1.3
231.10284	0.5
233.08041	1.2
235.11180	0.9
237.09282	0.4
238.09883	2.6
241.08592	2.6
242.09363	1.2
242.12943	0.5
243.13776	48.6
244.13989	0.5
253.12221	6.6
253.19438	0.6
256.10901	2.9
271.13242	100.0
271.20413	4.6
272.13596	1.5
284.43549	0.4
289.14230	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01862	3.1
55.05506	12.9
57.03426	12.8
57.07055	2.4
65.03887	0.9
67.05494	17.9
68.99780	2.5
69.03421	12.1
69.07059	13.2
71.04981	10.2
71.08615	4.9
71.20008	0.9
71.81497	1.4
73.02904	14.5
79.05488	10.2
81.03405	30.5
81.07041	32.1
83.04953	1.9
83.08602	8.0
85.02895	7.2
85.06522	3.3
87.04442	4.0
91.05462	9.0
93.07028	14.1
95.04955	2.5
95.08590	38.5
97.02884	11.1
97.06505	6.7
97.10139	3.2
98.97560	2.3
99.03790	1.3
99.04438	24.9
99.08082	7.1
101.02374	2.7
101.06001	1.0
103.03922	4.5
105.07018	7.3
107.08566	6.0
109.02861	100.0
109.06490	2.5
109.10155	6.9
111.08041	1.9
112.07279	0.9
117.06972	1.0
119.08557	9.8
121.10135	4.6
123.04369	0.9
123.08026	2.9
123.11706	1.5
125.09634	1.6
127.03897	42.7
131.00020	1.3
131.08537	2.1
133.10107	5.7
135.08040	1.0
135.11682	3.5
137.09618	1.4
137.13232	2.4
145.04968	3.3
145.06514	1.7
145.10054	1.4
147.11656	1.5
149.13228	1.2
151.03891	1.6
155.08508	1.4
157.06490	1.3
159.11691	1.5
161.13246	12.9
163.07536	0.9
165.07016	2.6
169.04950	2.6
171.11575	1.1
171.13768	1.0
173.05977	1.3
173.09592	1.3
179.14275	6.8
181.04881	1.0
183.08002	1.8
183.11728	1.3
189.00601	2.0
189.05504	0.9
197.05951	1.9
201.05475	2.1
209.08067	3.0
211.07518	1.6
229.04964	2.6
235.05969	1.5
235.16815	1.1
243.06346	1.1
253.07132	1.6
253.17912	2.4
271.05795	16.5
271.08392	4.0
271.13126	1.9
271.19009	27.5
272.06345	1.3
291.03870	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
51.36536	0.5
55.01848	1.6
55.05487	0.9
57.03401	1.2
57.07061	0.8
65.03919	1.8
67.01844	0.6
67.05476	1.1
68.99420	1.0
68.99782	16.6
69.03416	1.0
69.07050	0.9
70.44363	0.5
71.04948	0.5
71.77431	0.8
71.91044	0.5
72.08125	0.7
79.05465	1.1
81.03410	0.9
81.07033	2.5
83.45995	0.4
85.02905	0.7
89.03887	0.6
91.05469	7.1
93.07034	1.2
95.01300	0.6
95.04934	0.9
95.08575	1.1
97.06481	0.7
98.09655	0.8
98.62437	0.5
99.08096	0.6
103.05497	0.7
105.07002	1.8
107.04935	4.3
107.08566	0.5
109.02876	1.1
109.06506	0.9
109.10066	0.7
111.00784	1.8
111.04348	0.6
115.05429	1.4
116.10694	0.5
117.07018	1.2
119.04935	3.7
119.08586	0.8
121.02852	10.7
121.10136	0.7
123.08057	0.7
127.03917	0.9
128.06161	1.5
129.06978	2.5
131.04904	2.1
131.08543	1.5
133.02795	0.5
133.10060	0.8
135.08096	0.6
137.02310	0.6
137.05954	8.0
137.71397	0.6
141.06960	6.8
145.02785	1.8
145.06450	2.3
147.04376	2.2
147.07994	2.5
147.11536	0.6
149.02322	59.7
149.09708	0.8
150.02879	0.7
151.11151	0.9
152.06116	1.0
153.01816	15.6
153.06984	2.0
155.04926	5.1
157.06483	4.2
157.10117	0.6
159.04405	3.0
159.08049	1.4
161.05946	0.8
162.76607	0.5
163.59686	0.6
165.01801	0.9
165.06950	1.3
168.05693	0.7
169.06458	9.6
169.07767	0.9
173.05968	10.0
175.07524	0.8
178.26099	0.5
179.07019	1.3
181.06427	2.9
182.07187	0.6
183.04378	6.9
183.07968	0.6
185.05930	3.4
187.03867	2.8
187.07509	3.7
197.05956	14.8
198.06754	0.7
198.14836	1.4
199.07591	1.4
200.04622	1.0
201.05440	10.0
203.07034	5.1
204.64822	0.5
207.04387	0.6
211.03868	1.9
211.07539	1.1
215.06999	72.6
216.07341	0.9
225.05435	7.4
226.14389	1.4
227.06961	0.7
229.04938	15.1
243.06506	71.4
244.06755	0.8
253.04942	6.7
253.14383	0.8
271.05978	100.0
272.06235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	Genistein
Peak:m/z	Relative Intensity
55.01867	0.4
55.05504	1.1
57.03419	0.4
57.07049	0.9
64.30753	0.3
65.84499	0.2
67.01875	0.3
67.05506	1.6
68.99778	1.8
69.03416	0.3
69.07061	1.6
71.04970	0.4
71.08600	0.3
71.77849	0.5
77.24247	0.2
79.05463	0.8
81.03390	0.4
81.07040	2.2
83.08598	0.6
84.08127	0.3
85.06529	1.0
91.05467	1.6
93.07038	1.2
95.04987	0.4
95.08579	1.3
97.10143	0.4
97.16247	0.2
103.61143	0.2
105.07029	2.0
107.04949	0.3
107.08585	0.7
109.02842	0.7
109.06486	0.8
109.10136	0.8
111.00743	0.4
111.11643	0.3
113.05964	0.2
115.05450	0.9
117.06979	0.6
119.04899	0.4
119.08565	1.3
121.06497	1.2
121.10107	0.6
123.11641	0.3
125.38091	0.3
128.06259	0.4
129.06972	0.6
131.04922	0.5
133.10069	0.6
135.04376	0.7
135.08005	0.4
135.11638	0.3
138.65720	0.2
141.06979	0.9
142.07753	1.2
145.02846	0.5
145.06471	1.1
145.10088	0.5
147.08014	0.5
147.11684	1.6
148.07567	0.6
151.03874	0.7
153.01796	3.3
155.04950	0.6
155.08554	0.3
157.06451	0.7
157.10124	1.0
159.08032	0.4
159.11662	0.4
160.08739	0.4
161.06033	0.3
163.03897	0.5
165.01837	0.2
165.06914	0.5
169.06468	1.2
171.04362	0.6
173.05957	1.0
175.07512	0.7
175.11183	2.2
181.04942	0.3
183.04445	0.6
183.07864	0.3
185.05939	1.6
187.03842	0.6
187.07555	0.4
197.05945	2.0
199.03867	1.7
200.04672	2.0
201.05437	1.5
203.06982	0.6
211.07404	0.2
212.04874	0.3
213.05452	2.5
215.03493	0.4
215.07059	1.1
216.04013	0.4
219.06525	0.6
225.05428	1.3
227.03397	0.3
228.04137	1.3
229.04933	3.5
229.11932	0.3
240.04169	1.5
241.04921	13.9
242.05490	0.5
243.02899	0.5
243.06506	9.0
244.03461	0.5
247.06024	0.3
253.04857	1.5
256.03616	2.4
269.04446	0.5
271.05969	100.0
272.06442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74208	0.8
54.69319	0.8
56.96576	1.7
57.03424	0.9
61.02920	1.1
62.38746	0.7
69.03426	3.9
70.06571	1.0
71.05017	0.9
71.44379	1.7
73.06551	100.0
74.06877	1.1
81.03411	1.4
84.12545	0.9
84.68713	0.8
85.02895	15.2
87.04459	1.8
91.05488	1.0
91.07584	12.9
97.02877	3.0
99.04444	1.1
99.50449	0.9
105.07065	1.1
108.84608	0.9
109.02847	1.1
114.71360	0.8
120.08110	2.3
122.02371	1.5
124.21593	0.7
127.03916	3.1
132.08026	1.9
134.09659	1.4
136.06174	4.6
137.06592	1.4
145.04990	4.4
147.04384	3.2
163.03914	2.6
163.05969	1.7
168.78366	0.9
200.98598	1.1
206.11708	1.4
224.12817	3.3
253.12727	1.3
270.13382	7.6
271.05923	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03920	0.2
55.01860	0.3
55.05503	2.9
57.03429	2.6
57.07062	0.4
59.30064	0.1
60.70937	0.1
65.03924	0.3
67.01852	1.3
67.05495	4.3
68.99777	1.1
69.03406	0.4
69.07059	2.5
71.04987	1.0
71.08604	0.1
71.31992	0.1
79.05481	1.7
81.07044	6.9
83.04967	0.5
83.08603	1.8
85.02896	0.2
85.06538	0.8
85.06960	0.1
91.05468	2.8
93.07033	1.7
95.04939	0.3
95.08592	7.9
95.52992	0.1
97.02890	0.1
97.06519	1.2
97.10153	0.6
99.04400	0.2
99.08051	0.3
105.07022	1.6
107.08601	0.8
109.02831	0.2
109.06479	0.2
109.10155	1.1
111.00815	0.2
111.08041	0.4
113.05990	0.3
117.07005	0.2
119.04925	4.3
119.08563	2.0
121.02848	1.1
121.10115	0.6
123.08083	0.6
123.11690	0.2
127.03889	0.1
129.01811	0.3
131.04883	0.2
131.08542	0.2
133.10110	1.5
135.11678	0.7
137.09573	0.3
137.13222	0.5
138.80804	0.1
141.06926	0.3
141.09114	0.3
143.08577	0.2
145.02826	1.4
153.01804	8.6
161.13240	2.7
163.03879	0.9
165.09064	0.3
169.06462	0.3
171.02869	1.4
173.05956	0.2
179.14281	1.3
183.04366	0.1
183.07999	0.2
183.10233	0.2
185.05759	0.1
187.03865	0.4
189.12753	0.2
197.05956	0.3
197.15462	0.1
201.05518	0.2
202.06317	0.1
203.06964	0.3
211.07463	0.2
225.05432	0.5
229.04863	0.7
233.91490	0.1
235.13341	0.3
243.06531	0.9
247.05989	0.2
253.04745	0.2
253.14183	0.7
253.18028	0.4
271.05966	100.0
271.18988	7.5
272.06372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.49373	0.8
53.03920	2.9
55.01863	4.5
55.05503	21.4
57.03427	37.5
57.07063	5.3
65.03913	2.1
67.05494	76.0
69.03405	1.9
69.07056	32.1
69.98044	4.7
71.04984	7.0
77.03899	1.0
79.05482	45.7
81.03395	3.4
81.07043	100.0
82.07358	1.0
82.87161	0.8
83.04966	11.5
83.08607	19.8
85.02869	0.9
85.06525	6.7
91.04922	1.3
91.05470	23.6
93.07031	75.0
94.07370	0.9
95.04952	6.2
95.07994	1.7
95.08590	28.9
97.06517	17.4
97.10135	2.3
99.04425	1.7
99.08073	4.1
105.03365	1.5
105.07024	10.1
107.04948	1.1
107.08578	38.5
108.08902	1.0
109.06506	5.0
109.10107	4.7
111.08066	10.6
113.09659	1.6
117.06992	8.6
119.08546	2.5
121.06475	1.4
121.10130	26.2
123.08046	1.1
123.11687	2.3
125.09599	2.1
127.07526	1.0
131.08554	10.3
133.10118	8.6
135.07999	2.6
135.11684	11.4
136.58658	0.8
139.07506	1.8
139.11147	3.0
141.08757	0.8
147.11693	2.9
149.09560	1.1
149.13232	56.8
151.11171	1.5
153.09154	1.0
159.10355	1.3
159.11679	23.5
160.35678	0.7
167.14311	1.2
175.55423	0.7
177.12712	12.6
191.51869	0.7
195.13765	17.9
209.46947	0.8
213.05360	1.7
213.14853	2.5
240.03938	1.0
241.04918	4.5
269.01404	0.9
269.04410	37.1
269.17432	79.1
270.04770	2.5
270.17831	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	269.1742
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03930	3.0
55.01858	4.6
55.05505	20.4
57.03430	33.7
57.07042	4.9
63.70607	1.1
65.03904	2.3
66.74436	1.1
67.05495	81.0
69.06699	2.3
69.07056	30.8
70.46835	5.0
71.04964	6.8
79.05479	43.4
81.03399	3.1
81.07045	95.2
82.07354	1.2
83.04965	11.1
83.08608	19.5
85.02845	1.3
85.06534	6.5
91.05469	27.4
93.07028	74.3
95.04971	8.4
95.08595	27.8
97.06515	16.7
97.10138	2.3
99.08073	7.8
105.07034	9.1
107.04896	1.7
107.08582	37.8
108.37712	1.2
109.06513	6.4
109.10148	7.0
111.08042	10.6
113.06004	1.4
117.06992	12.5
119.08562	4.6
121.06493	2.6
121.10123	21.1
123.08056	1.6
123.11691	3.4
125.56583	1.2
127.07533	3.6
129.06966	1.7
131.08554	14.0
133.10107	13.0
135.08018	4.4
135.11671	11.1
135.73366	1.1
139.11166	1.6
143.08537	1.3
145.10083	2.2
147.11743	2.9
149.09612	2.2
149.13239	48.8
151.11151	2.6
157.06494	2.0
157.10036	1.4
159.11671	36.8
161.13303	2.6
173.09616	1.4
173.13190	1.5
177.12737	18.0
179.14311	2.3
185.05875	1.6
195.13773	17.9
199.14702	2.1
213.05437	5.3
213.14740	2.2
220.96887	1.7
241.04939	17.6
242.05147	1.4
251.16371	1.3
251.20209	1.7
258.39426	1.6
269.04422	100.0
269.17410	73.9
269.22415	2.5
270.04703	7.2
270.17862	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82640	0.9
53.03930	2.5
55.01851	2.8
55.05503	22.7
57.03427	12.1
57.07054	2.9
59.04974	1.1
67.05494	81.3
68.00267	0.8
68.25858	0.9
68.99777	1.1
69.06693	1.5
69.07057	29.4
71.04982	14.7
71.65566	1.4
77.03914	1.3
79.05482	38.1
81.07044	98.0
83.04950	6.8
83.08601	16.9
85.02884	0.9
85.06545	8.6
91.05462	28.5
93.06160	1.2
93.07030	60.3
95.04980	4.5
95.08592	74.1
97.06509	12.3
97.10157	10.0
99.08078	4.1
105.03395	2.2
105.07014	16.7
107.08578	38.0
109.06493	5.1
109.10139	34.0
111.08063	6.9
111.11697	2.6
113.05981	1.2
113.09624	1.2
117.07001	11.3
119.08553	15.1
121.06484	6.0
121.10129	24.6
123.08056	4.5
123.11694	13.1
125.09623	2.6
129.06987	1.6
131.08556	18.4
133.10101	26.8
135.08022	6.3
135.11685	15.9
137.09598	8.3
137.13211	3.5
139.07523	4.0
141.09074	1.7
145.10085	9.3
147.11646	6.2
147.12683	1.1
149.09598	5.7
149.13231	26.2
151.11159	11.4
151.14743	1.3
153.09088	6.1
155.10631	2.1
157.09984	1.3
159.11679	23.1
160.12076	1.1
161.13235	3.2
163.11163	3.1
165.12711	1.7
167.10666	3.1
167.14375	1.2
169.12204	1.3
171.11623	1.1
173.13214	6.2
177.12717	13.4
179.14301	2.5
181.12210	2.3
187.14789	3.8
189.16409	1.5
191.14333	1.2
191.17885	7.9
195.04329	1.2
195.13808	9.2
203.18013	1.2
209.15323	1.3
212.04559	1.1
213.05424	4.1
215.17923	23.7
223.03915	2.0
233.15291	1.4
233.18979	12.3
240.04257	3.9
241.04935	16.1
242.05266	1.6
244.03656	1.3
251.16399	2.1
251.20004	15.2
267.79214	1.0
269.04422	100.0
269.17459	46.2
269.21075	19.4
270.04822	7.8
270.17822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.9
55.05502	5.6
57.07061	4.3
58.33518	1.6
58.72522	1.9
60.59256	1.6
67.05496	8.2
69.07059	100.0
71.04985	34.3
71.61166	3.7
79.05482	2.2
79.30124	1.5
81.07044	3.6
83.01354	2.3
84.08865	1.5
85.06557	4.8
91.05498	2.3
93.07047	2.5
95.04946	3.1
95.08588	10.1
95.99186	1.9
97.10159	13.7
105.07023	3.2
109.06474	2.0
113.05992	82.0
115.05531	1.6
116.04472	1.7
117.06974	1.9
118.80315	1.6
119.08556	16.3
121.10121	8.5
123.08115	9.7
125.09627	7.5
128.06229	5.4
131.08527	2.7
139.11176	8.8
141.09071	1.7
143.08563	7.1
151.07524	37.7
155.08560	2.7
156.09282	2.3
157.10114	3.2
158.10910	1.8
164.15431	1.8
165.06905	3.6
167.08519	5.1
167.10709	6.0
168.09390	2.4
169.08591	87.6
169.10005	3.6
171.11671	2.0
173.13263	8.1
180.09317	4.2
182.10959	7.2
183.08182	2.4
183.10179	5.6
185.13219	2.5
187.07512	6.9
191.03291	3.2
191.14336	18.0
195.11745	5.4
197.13249	11.0
199.07584	2.1
199.13348	3.7
201.11224	21.6
207.11618	2.7
209.09674	2.2
209.15305	10.7
213.12668	4.7
219.13773	44.4
223.11101	5.7
225.12735	3.6
226.09737	2.1
227.06973	2.0
237.14908	7.2
241.12256	5.0
251.16367	3.6
269.04395	2.1
269.11710	26.3
269.15173	4.2
269.17386	17.2
285.89822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.46711	1.4
53.03930	3.0
55.01852	2.4
55.05276	1.7
55.05505	19.6
55.49701	1.3
57.03431	33.9
57.07052	5.0
65.03910	2.2
67.05497	79.7
68.56657	1.4
69.03374	1.3
69.07056	28.8
70.94503	3.0
70.94868	2.3
71.04970	5.9
72.56581	1.2
77.03909	2.0
79.05484	46.9
81.07047	100.0
83.04975	11.2
83.08609	21.4
85.06516	4.2
91.05467	21.5
93.07034	68.6
95.04944	6.3
95.08595	25.4
97.06529	16.0
97.10140	2.0
99.08080	6.0
105.07032	8.4
107.08582	39.2
109.06502	2.9
109.10117	3.4
111.08086	10.3
117.07013	12.2
119.08552	3.1
121.06437	1.9
121.10140	24.9
123.08028	2.1
123.11694	3.7
127.07539	2.0
131.08537	8.0
133.10109	10.3
135.08051	3.0
135.11676	10.7
139.07460	1.4
139.11143	2.7
149.09723	1.4
149.13245	59.7
151.11179	1.5
157.64087	1.3
159.11674	24.0
165.12703	1.2
167.14258	1.5
177.12740	13.9
181.09276	1.3
195.13774	21.2
196.45959	1.5
213.05473	2.4
213.14896	2.1
241.04903	5.9
269.04422	37.8
269.17453	76.1
270.04758	3.2
270.17654	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03425	2.0
57.07048	0.5
65.03927	0.3
67.05493	6.3
69.07050	2.1
70.10052	1.4
71.04975	0.7
72.64431	0.2
79.05491	3.4
79.12701	0.2
81.03371	0.3
81.06575	0.4
81.07043	7.4
81.61797	0.2
83.04967	1.0
83.08601	1.6
85.06523	0.4
91.05468	1.8
91.57381	0.2
92.51510	0.2
93.07031	5.7
95.04958	0.5
95.08590	2.4
97.06510	1.5
98.21382	0.4
99.08107	0.4
105.03361	0.3
105.07007	0.8
107.08562	2.8
109.06496	0.3
109.10143	0.5
111.08045	0.7
115.05455	0.3
117.06996	1.1
119.08561	0.6
121.02881	0.3
121.06489	0.3
121.10120	1.3
123.11668	0.3
128.06206	0.3
129.06978	0.9
131.08554	0.9
133.10088	1.0
133.92276	0.2
135.11667	0.9
139.05487	0.3
141.07025	0.3
147.00716	0.6
149.13237	3.6
149.76018	0.3
151.11121	0.3
155.08368	0.3
157.06454	1.6
159.11653	2.3
177.12711	1.2
185.05975	1.7
185.07626	0.2
195.04283	1.2
195.13770	1.5
213.05435	6.0
213.14812	0.2
223.03891	1.1
227.03328	1.5
240.04257	0.3
241.04918	19.8
241.30008	0.3
242.05298	0.5
252.04070	1.0
268.03696	0.8
269.04407	100.0
269.17413	7.1
270.04773	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.56457	0.7
53.03921	2.8
53.77010	0.8
55.01835	2.4
55.05503	20.6
57.03429	15.7
57.07056	3.3
59.04977	1.1
65.03918	2.6
67.05495	79.0
69.07056	25.1
71.04980	13.4
71.08612	1.4
71.66016	1.5
71.66352	1.0
73.02895	0.9
79.05481	35.9
81.03414	1.4
81.07043	96.1
83.04961	5.4
83.08607	14.7
85.06525	7.4
85.21645	0.8
89.05959	0.9
91.04915	1.7
91.05465	24.5
93.07030	59.6
95.04968	4.5
95.08591	60.8
97.06508	11.9
97.10165	8.1
99.04371	1.0
99.08072	3.5
101.06004	0.8
105.03374	2.1
105.07011	11.9
107.04920	1.1
107.08578	34.6
109.06490	4.1
109.10138	30.6
111.08074	6.9
111.11694	2.2
113.09522	0.9
117.07017	9.4
119.08555	11.9
121.06455	5.1
121.10133	24.2
123.08044	4.7
123.11680	10.7
125.09622	1.6
127.07539	1.8
129.06978	1.4
131.08540	13.8
133.10115	24.1
133.11134	1.4
135.08047	5.4
135.11684	14.7
137.09596	6.3
137.13235	2.9
139.07541	2.2
139.11180	1.6
141.09081	1.4
144.09319	0.9
145.10091	6.7
147.11627	5.6
149.09631	4.4
149.13226	29.7
151.07504	0.9
151.11156	8.3
153.09081	4.1
155.10625	2.3
157.06537	1.0
157.10086	1.3
159.11664	22.3
161.02396	1.0
161.13258	2.2
163.11105	2.2
163.14886	1.0
167.10616	2.1
167.14281	2.0
169.12263	1.2
173.13252	4.9
176.04755	0.9
177.12740	12.9
179.06990	1.4
179.14256	2.2
181.12213	2.4
187.14780	2.2
189.16299	1.5
191.14282	1.2
191.17889	5.3
195.04387	1.0
195.13770	11.2
199.03865	1.1
201.05481	1.1
212.04863	1.2
213.05463	5.1
215.17955	18.8
223.03746	1.6
233.15459	1.6
233.18968	11.0
240.04169	2.6
241.04898	17.2
244.03705	1.0
251.16426	2.0
251.20059	13.5
269.04419	100.0
269.17453	44.2
269.21066	13.3
270.04800	5.9
270.17786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.044
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
51.55204	0.1
55.05489	0.3
65.03934	0.2
65.12921	0.1
67.05479	0.6
69.07044	0.3
71.06367	0.4
79.05465	0.6
81.07039	0.8
83.08588	0.1
86.16486	0.2
91.05451	0.4
93.07018	0.8
95.08604	0.4
97.06541	0.2
100.11208	0.2
105.03367	0.2
105.07018	0.2
107.08560	0.3
117.06971	0.3
121.02854	0.3
128.06180	0.3
129.06984	0.8
131.04878	0.2
133.10123	0.2
135.11691	0.2
139.05415	0.4
141.06923	0.2
145.06441	0.2
147.00742	0.5
147.11795	0.2
149.13240	0.4
157.06464	2.0
159.11642	0.2
167.04927	0.2
171.04420	0.2
175.00125	0.2
185.05962	2.0
195.04356	1.4
199.03860	0.3
213.05438	6.0
215.59137	0.1
223.03795	1.4
227.03357	1.5
241.04916	20.5
242.05228	0.3
251.03371	0.2
252.04211	1.0
266.02985	0.1
268.03790	0.9
269.04398	100.0
269.17331	1.0
270.04706	3.1
270.07355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0441
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
52.04134	0.2
57.06921	0.2
68.99778	0.8
70.31490	0.8
81.07034	0.2
93.06988	0.2
95.08566	0.2
99.08064	0.5
115.70195	0.2
123.00780	0.3
123.56190	0.2
127.07485	0.3
131.04921	0.3
144.18443	0.2
157.02924	0.2
157.06465	0.2
161.02313	0.6
168.55069	0.2
171.04366	0.4
173.05975	0.3
175.03981	0.2
176.04724	0.4
185.05962	0.9
195.04367	0.9
199.03932	1.2
200.04633	0.5
201.05424	1.4
208.11636	0.2
212.04652	2.6
213.05434	3.5
214.05803	0.2
215.03307	0.2
216.04153	0.6
223.03874	1.7
227.03366	1.7
240.04169	4.2
241.04916	14.1
242.05222	0.5
244.03622	1.9
245.04381	1.0
251.03300	0.3
253.67380	0.2
269.04404	100.0
270.04758	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	269.0441
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
67.01852	0.2
67.05487	0.6
68.99777	0.9
69.07050	0.2
70.64602	0.3
70.64952	0.5
76.04101	0.1
79.05463	0.2
81.07033	0.8
91.05466	0.3
93.07016	0.4
95.08572	0.2
97.06498	0.2
103.66706	0.1
107.08621	0.3
110.82696	0.2
115.05460	0.2
123.00796	0.3
131.04901	0.4
131.08530	0.2
145.06467	0.3
149.13252	0.4
157.06435	0.2
161.02307	0.8
171.04333	0.4
171.48218	0.2
173.06004	0.4
176.04680	0.5
185.05939	1.0
195.04424	0.8
198.51895	0.2
198.91508	0.1
199.03883	1.4
200.04640	0.2
201.05434	1.3
212.04660	2.7
213.03391	0.2
213.05450	4.1
215.03380	0.3
216.04102	0.8
223.03896	1.5
227.03345	1.5
240.04149	4.2
241.04922	13.4
242.05246	0.4
244.03667	2.1
245.04448	1.0
251.03406	0.4
269.04404	100.0
270.04764	2.1
287.09378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0441
Annotation	6,7-dehydrobaicalein
Peak:m/z	Relative Intensity
55.05497	0.3
57.03423	0.4
57.07063	0.1
57.23457	0.1
67.05495	1.1
68.99773	0.7
69.07050	0.6
70.86453	0.5
79.05478	0.7
81.07040	1.5
83.08616	0.3
91.05476	0.2
93.07033	1.0
95.08596	0.6
97.06492	0.2
105.06990	0.3
107.08575	0.6
109.10150	0.2
115.05429	0.2
117.07002	0.3
119.08588	0.2
121.10140	0.4
123.00790	0.4
129.06972	0.2
131.04897	0.5
131.08549	0.3
133.10100	0.2
135.11591	0.2
145.06483	0.2
149.13231	0.5
157.02863	0.2
157.06470	0.4
159.11679	0.4
161.02307	0.9
171.04384	0.5
173.05922	0.3
176.04655	0.5
177.12756	0.2
185.05882	1.1
195.04364	1.0
195.13759	0.2
199.03845	1.1
200.04547	0.2
201.05450	1.3
212.04645	2.2
213.05428	4.0
215.03381	0.4
216.04175	1.0
223.03847	1.5
227.03339	1.3
240.04152	4.6
241.04915	14.5
242.05147	0.3
244.03635	2.1
245.04411	0.8
251.03320	0.4
255.75446	0.1
269.04398	100.0
269.17285	0.8
270.04776	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.07565	0.1
54.42445	0.1
55.01859	0.3
57.03430	0.6
61.02918	0.1
69.03410	0.3
69.73478	0.7
71.01347	0.3
73.02914	0.3
85.02893	0.5
87.04469	0.1
94.04031	0.3
97.02856	0.2
98.21478	0.2
115.03857	0.2
119.03546	0.6
125.74850	0.1
127.03848	0.1
133.04996	0.1
136.06166	100.0
137.04683	0.5
137.06651	0.7
139.05873	0.1
178.07156	0.1
180.95670	0.1
186.68671	0.1
217.26746	0.1
268.10370	9.4
269.10492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.49723	0.1
55.01860	0.3
55.06123	0.1
57.03431	0.5
69.03406	0.3
70.12050	0.3
70.12465	0.8
71.01318	0.2
73.02911	0.3
79.98753	0.1
85.02903	0.3
94.03992	0.2
97.02863	0.2
106.05813	0.2
106.32307	0.2
115.03973	0.2
116.25235	0.2
119.03541	0.8
133.04965	0.2
136.06169	100.0
137.04552	0.4
137.06548	0.8
160.92812	0.2
268.10385	7.0
269.10568	0.2
272.01816	0.2
278.21799	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	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03936	3.2
55.01853	2.2
55.05503	7.8
57.03426	22.0
57.07058	0.8
67.05496	14.8
68.96828	0.7
69.03417	3.1
69.07064	5.2
71.04978	1.5
79.05482	19.0
81.03405	100.0
81.07047	18.8
83.04967	8.5
83.08606	15.2
85.02905	0.7
85.06514	1.2
87.78718	0.7
91.05467	22.9
93.07025	10.9
95.04958	25.7
95.08587	7.7
96.26272	0.7
97.02872	2.6
97.06520	2.5
97.10170	1.9
99.08092	1.3
105.03379	9.8
105.07008	19.4
107.04945	7.6
107.08573	4.9
109.06493	4.0
109.10146	2.0
111.04436	1.5
111.08062	7.6
115.05441	1.6
116.27376	0.6
117.06989	1.1
119.08561	14.1
121.06472	2.6
121.10157	5.0
123.08030	2.4
123.11666	2.5
127.03888	1.8
127.07585	1.1
129.06996	9.3
131.08559	9.7
133.06441	2.5
133.10135	8.1
137.09593	1.6
142.07758	2.8
145.10135	1.2
147.08029	3.7
147.11668	9.0
149.09624	5.3
151.07535	1.1
157.10091	11.7
163.11201	1.7
165.12740	2.6
169.08449	0.7
175.11154	10.0
175.22827	0.7
182.34178	0.7
183.48529	0.7
193.12221	22.9
203.14313	0.8
211.13283	3.8
223.13295	1.1
249.11063	1.0
249.14850	4.8
267.15869	80.2
268.16150	0.9
285.10010	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1585
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03935	3.2
55.01861	2.0
55.05498	5.2
57.03427	20.5
63.05262	0.7
65.03947	1.0
67.05498	10.7
69.03410	2.6
69.07047	2.7
71.04980	1.7
71.81313	0.9
79.05476	12.1
81.03404	100.0
81.07050	10.2
83.01312	1.3
83.04968	6.0
83.08606	13.4
91.05468	16.9
93.07034	6.9
95.04950	21.0
95.08569	5.1
95.30718	0.7
97.02856	1.6
97.06508	1.9
97.10158	2.1
98.98448	2.0
100.22984	0.7
105.07008	10.5
107.04935	4.2
107.08573	2.2
109.06495	3.4
111.04417	1.7
111.08062	5.1
115.05460	1.1
117.07001	0.9
119.04877	1.1
119.08567	10.9
121.06480	2.3
121.10101	3.7
123.08089	1.5
128.06247	0.8
129.06979	8.5
131.08540	7.0
133.06479	2.3
133.10143	4.0
137.09619	1.2
137.22597	0.7
142.07745	1.5
145.10172	0.8
147.08044	2.6
147.11688	6.5
149.09610	3.4
155.08572	1.3
157.10098	8.5
163.11099	0.8
165.09122	0.8
165.12730	1.8
169.10132	1.1
175.11160	7.7
193.12213	21.3
198.60114	0.7
211.13284	2.6
239.14189	1.5
249.14813	1.6
252.11369	0.8
267.13748	4.6
267.15921	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03926	2.7
55.01857	1.8
55.05502	5.9
57.03431	18.0
57.07050	1.3
59.05014	1.4
62.61044	0.9
65.49387	1.0
67.05494	12.0
69.03409	1.9
69.07048	2.5
71.04964	1.8
71.81804	1.4
79.05481	11.5
81.03403	100.0
81.07054	11.4
83.04945	3.8
83.08610	15.5
89.05991	1.4
91.05472	16.0
93.07034	6.5
95.04955	22.4
95.08575	4.8
97.02887	1.6
97.06503	2.0
97.10112	1.8
98.98460	6.2
105.07016	13.2
107.04944	4.7
107.08581	3.1
109.06517	1.8
109.10175	1.7
111.08064	6.3
115.05459	1.3
117.06989	1.4
119.08561	12.2
121.06480	2.9
121.10141	5.4
123.08074	1.8
125.09573	1.0
129.06995	9.5
131.08553	7.3
133.06480	2.2
133.10118	4.0
136.06169	2.0
142.07762	3.3
143.08549	1.0
145.10110	1.9
147.08009	2.5
147.11649	6.0
149.09634	4.2
157.10107	10.2
163.11142	1.3
165.12785	1.8
175.11186	8.6
181.10123	1.1
193.12221	24.2
197.09491	1.1
209.09619	1.1
211.13293	3.9
225.09041	2.8
239.14355	1.1
249.14882	1.9
267.13632	15.1
267.15924	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03932	2.7
55.01859	1.7
55.05503	6.4
57.03428	19.6
57.53606	0.6
59.01657	0.5
66.06953	0.7
67.05492	11.2
69.03425	1.5
69.07051	2.8
70.39204	2.5
71.04973	1.1
75.44612	0.6
79.05478	11.8
81.03404	100.0
81.07051	12.2
82.03722	0.8
83.04966	5.0
83.08610	14.9
85.06526	1.1
91.05465	16.6
91.50001	0.6
93.07034	8.5
95.04956	22.6
95.08600	4.1
97.02872	2.0
97.06526	2.3
97.10147	1.8
105.07014	13.6
107.04936	5.0
107.08575	3.9
109.06502	3.6
109.10146	1.3
111.04424	1.5
111.08073	7.1
115.05441	1.2
117.07013	1.7
119.08561	11.6
121.06494	2.1
121.10138	4.8
123.08069	1.7
125.09586	1.0
128.06230	0.9
129.06975	7.6
131.08557	8.4
133.06458	2.2
133.10127	4.2
135.08095	0.7
136.06146	0.9
137.05960	0.8
137.09624	0.9
142.07773	1.9
143.08543	0.8
145.10136	1.4
147.07974	3.1
147.11668	7.3
149.09570	3.9
157.10100	8.4
165.12744	2.7
175.11169	10.0
193.12215	20.5
198.56155	0.6
205.12100	0.8
211.13287	4.5
237.14865	0.6
249.14862	2.8
267.15875	70.6
268.16150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.01858	2.5
55.05505	6.7
57.03439	6.7
57.07066	1.6
63.52564	1.1
67.05494	16.0
68.99768	3.1
69.03407	2.8
69.07054	4.7
71.04965	1.3
77.04538	1.1
79.05485	11.5
81.03407	24.7
81.07048	20.7
83.04975	6.7
83.08607	5.5
85.06522	2.4
87.04435	1.5
91.05464	19.6
93.07036	9.6
95.04957	10.2
95.08589	12.9
97.02886	1.9
97.06528	7.5
99.04439	2.0
105.03352	1.7
105.07015	12.7
107.04908	3.6
107.08568	5.2
109.06483	3.7
109.10133	5.5
111.00815	3.3
111.04456	1.8
111.08060	2.1
113.06001	1.2
115.05459	3.7
116.06293	1.2
117.07002	3.6
119.08571	25.7
121.06500	2.2
121.10124	5.2
123.04429	1.8
123.08057	11.6
123.11692	3.6
125.05948	1.6
127.03912	2.1
128.06209	4.2
129.06985	13.4
130.07651	1.4
131.08568	12.4
133.06480	2.5
133.10110	6.8
135.07997	2.0
135.11630	1.4
136.06163	3.2
137.05992	1.4
137.09607	10.3
139.03905	5.8
141.05501	1.4
141.06964	4.3
142.07785	2.5
143.08568	2.4
144.05676	5.3
145.06454	3.7
145.07590	7.1
145.10091	2.0
146.07307	1.8
146.08363	3.0
147.08063	6.7
147.11699	7.0
149.09584	2.9
151.03865	1.9
151.07481	1.8
153.05437	2.9
153.06876	1.5
157.06499	5.7
157.10085	4.0
159.08038	13.6
161.05940	2.4
161.09621	6.1
163.03882	1.2
163.11183	1.3
165.05466	2.2
165.06912	1.3
165.09103	6.6
165.12744	2.1
167.10680	1.2
170.07248	3.7
171.08081	3.4
172.05157	1.6
173.06006	3.3
175.07603	2.1
175.11157	4.5
176.60248	1.2
179.10735	1.9
187.07533	10.1
189.05482	2.0
189.09085	4.2
193.12204	6.0
198.06627	1.3
199.07521	1.7
203.07008	4.3
203.10762	1.8
204.07730	7.5
205.04985	2.9
207.10170	6.3
210.06757	3.2
213.12723	1.3
216.07790	2.0
218.09366	1.6
219.10149	3.7
221.11748	3.9
221.15373	1.3
231.10152	6.9
237.11029	1.6
239.10718	3.4
249.11198	100.0
249.15089	3.3
250.11391	2.7
267.06409	2.6
267.11044	14.8
267.15845	24.0
267.18399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1223
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
53.03932	8.0
55.01853	4.1
55.05502	14.4
57.03434	6.9
57.58021	2.9
65.03938	4.0
67.05495	31.1
69.03426	22.5
69.07056	27.4
70.11598	16.6
71.04986	16.2
79.05478	40.8
81.03411	7.9
81.07043	80.0
83.04968	38.7
83.08598	4.1
85.02881	5.6
85.06551	8.6
91.05465	42.4
93.07032	59.3
95.04949	43.4
95.08603	13.0
97.06506	36.2
99.04441	4.6
101.06009	16.0
105.07018	58.1
107.04929	11.4
107.08564	22.8
109.06506	100.0
109.10146	4.8
111.04446	13.7
111.08067	10.0
113.05983	10.6
115.05434	7.9
117.07007	15.7
119.04939	16.3
119.08547	27.6
121.06485	26.4
121.10149	4.7
123.04425	8.9
123.08049	9.6
125.05999	13.6
127.03880	4.0
127.07555	26.8
128.06216	7.5
129.05472	5.9
129.06979	19.5
130.07774	3.4
131.08553	22.9
133.06448	9.6
133.10077	19.0
135.04416	12.1
135.08026	11.0
135.11673	7.9
137.05957	28.9
139.07527	6.1
141.05424	6.6
141.07007	6.2
142.07761	34.2
143.06955	3.9
143.08534	17.0
144.09322	4.7
145.06497	13.1
145.10089	17.8
147.08022	8.0
147.11670	33.4
151.07573	7.3
155.07013	24.6
157.10097	48.4
158.07233	5.0
159.06621	6.0
159.08057	14.3
159.11646	20.4
160.08835	4.9
161.09630	17.7
163.07509	8.8
163.11168	4.9
167.08485	5.2
170.07280	5.2
171.08061	5.2
173.08096	25.9
173.09445	6.9
175.11157	35.9
179.10654	5.5
181.12079	3.5
183.06540	7.1
185.09602	47.7
187.11136	7.2
189.09116	8.9
193.12202	13.0
197.04434	18.0
200.03374	3.3
203.10657	63.9
207.10202	6.1
213.09091	22.2
217.08510	5.1
221.11736	56.3
231.10133	18.5
249.11177	45.5
267.12256	47.1
267.15829	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	267.1222
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
53.03935	8.0
54.50409	4.8
55.01862	10.9
55.05489	22.2
61.93089	6.0
64.19258	5.3
67.05498	51.5
69.03428	32.6
69.07044	16.1
69.75567	12.8
69.75980	28.4
71.04970	14.7
79.05477	58.4
81.03417	8.6
81.07045	97.6
83.04966	34.0
85.06496	6.3
88.84032	5.0
91.05470	53.7
93.07029	82.3
95.04963	63.5
95.08597	50.7
97.06502	21.8
101.06008	11.8
105.07020	91.4
107.04926	23.9
107.08588	45.3
109.06506	100.0
109.10133	12.2
111.04417	6.0
111.08070	62.5
113.05943	8.8
115.05386	7.4
117.06987	18.5
119.04897	12.4
119.08572	36.3
119.86411	5.9
121.06492	53.9
121.10107	11.5
123.08052	11.7
127.07536	17.6
128.06139	9.1
129.05486	8.6
129.07007	26.9
130.07759	5.7
131.08528	26.9
133.06531	12.8
133.10123	19.3
135.08003	13.0
135.11671	25.0
137.05969	61.2
137.09612	20.3
141.06972	10.3
141.09052	5.6
142.07741	33.4
143.08502	18.6
144.09225	5.0
145.06453	21.3
145.10094	36.6
147.07988	12.8
147.11656	26.0
149.13249	6.9
153.12685	7.0
154.07780	6.4
157.10120	47.1
159.08029	20.9
159.11729	30.1
161.09630	48.6
163.11145	47.6
170.07143	7.0
171.07979	7.8
173.08150	5.6
175.11195	41.0
179.10544	6.4
181.12193	23.7
185.09570	39.4
185.97000	6.2
187.11130	21.0
193.12152	13.4
203.10638	53.1
213.09029	17.0
221.11710	67.2
231.09988	19.7
237.49266	6.2
249.11215	68.7
267.06369	10.4
267.12231	52.5
267.15543	10.6
283.54190	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	266.1383
Annotation	Salinosporamide D
Peak:m/z	Relative Intensity
50.66418	0.4
57.03415	0.7
61.63173	0.4
67.05486	1.7
68.22910	0.4
69.03400	0.5
70.06587	0.5
71.78802	0.5
71.79212	0.5
79.05491	0.3
81.03385	0.5
85.02885	0.3
94.06558	6.2
95.04936	0.9
105.03377	1.0
105.07010	0.5
106.06557	1.1
109.06485	0.4
110.06039	1.5
122.06013	8.1
122.06847	0.6
123.06799	12.7
124.07531	0.5
127.03921	0.4
134.05959	1.9
136.07462	0.3
138.05487	32.6
139.05856	0.4
140.07033	1.7
142.82751	0.4
147.06902	0.4
150.05486	28.4
151.06264	17.4
151.07506	0.6
152.07059	2.8
153.07852	0.8
155.02306	0.5
160.07578	1.2
164.07101	0.8
165.09055	0.5
168.06543	100.0
169.07324	4.4
173.08348	0.6
176.07037	0.9
177.07858	0.5
178.06276	1.0
190.08745	0.6
193.08540	0.5
202.12239	1.4
203.10689	0.6
220.13290	5.3
230.11690	2.3
248.12808	7.4
266.13843	63.7
267.14185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1384
Annotation	Salinosporamide D
Peak:m/z	Relative Intensity
50.11156	0.5
63.22908	0.5
67.05489	2.1
69.03426	1.3
69.07078	0.5
71.08607	0.5
71.79074	0.6
77.78610	0.6
78.08315	0.6
79.05479	0.8
79.42339	0.5
81.03394	0.8
81.07023	0.6
84.08145	0.8
85.02861	0.8
86.09706	0.6
91.05438	1.4
94.06552	5.1
95.04969	1.0
97.02864	0.5
105.07024	1.1
106.06529	1.0
109.02812	0.5
110.06010	2.6
119.04964	0.6
122.06018	6.9
123.04362	0.5
123.06792	14.7
127.03922	0.8
134.05992	3.0
136.06161	2.7
136.07561	0.6
137.06009	0.6
138.05479	37.0
139.03830	0.6
140.07042	1.0
147.04358	3.3
148.07550	0.8
150.05486	28.0
150.08928	0.6
151.06271	19.4
152.07028	4.5
154.04900	0.7
160.07568	1.4
162.07706	2.8
162.09042	0.5
164.07027	1.4
168.06543	100.0
169.07298	4.9
176.07016	1.0
176.10667	0.5
177.07773	0.9
178.08609	1.3
195.68066	0.5
198.22385	0.6
202.12257	2.1
206.08080	1.0
220.13286	7.1
230.11668	4.8
248.12845	21.1
248.15501	1.0
266.13849	60.6
267.14355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1431
Annotation	Jesterone
Peak:m/z	Relative Intensity
55.01853	1.4
55.05494	1.6
57.03436	1.2
64.50821	1.2
67.05487	5.5
68.86343	1.2
68.86749	1.1
69.03423	14.4
69.07059	100.0
70.23886	5.6
70.43954	1.1
71.04982	8.1
79.05476	4.4
81.03415	1.4
81.07030	2.2
83.01311	2.1
85.02922	1.3
91.05470	4.5
93.07009	2.7
95.04951	3.9
95.08594	6.6
97.02853	1.4
103.72334	1.2
105.07016	4.0
107.08591	7.3
109.06506	3.9
109.10144	4.4
112.59009	1.3
115.05444	1.9
117.06978	3.0
119.08567	1.8
123.08038	5.5
131.08528	2.1
133.06470	2.5
133.10115	1.4
135.08031	23.1
139.03885	13.7
141.05409	5.7
145.06439	3.2
151.07518	5.9
157.04918	1.7
159.07999	2.5
163.07516	2.5
169.50407	1.4
173.05975	2.6
179.07042	13.3
181.08650	1.3
190.06229	1.4
191.06966	10.5
197.08066	53.8
201.12785	1.9
205.08592	2.4
209.08066	28.1
211.11160	1.2
229.12225	7.1
247.09523	1.2
247.13298	18.4
247.45943	1.2
265.14346	6.5
265.17850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57545	0.3
56.96555	9.3
66.26850	0.3
69.07040	0.8
70.39648	1.4
70.40043	0.6
70.74207	0.3
71.95238	0.4
74.97585	0.6
81.03378	0.4
84.95988	1.0
95.04908	0.5
97.02891	0.5
98.21316	0.4
98.97552	14.6
98.98438	2.4
99.97881	0.6
101.00866	2.0
112.99991	0.4
114.56519	0.4
116.98601	14.3
117.98944	1.0
119.01902	11.5
120.01932	0.4
121.01637	0.8
121.02902	0.4
122.00463	0.4
124.99103	3.0
131.00993	1.0
133.03415	0.7
134.99644	12.2
136.00021	0.5
136.93114	0.8
137.02933	3.3
140.00192	0.9
140.01509	1.5
140.98729	0.4
141.97377	0.6
142.03456	0.5
143.00137	8.7
144.00464	0.4
144.98053	0.4
145.03445	2.4
146.03506	0.5
146.99496	0.7
149.01030	0.4
150.99088	0.6
152.01485	1.1
153.00702	2.8
153.97467	0.5
154.01270	0.9
154.94144	2.1
157.03467	0.4
158.01390	1.1
158.99701	0.9
161.01151	7.9
161.02319	0.6
161.96404	1.4
162.01497	0.5
162.99156	0.5
163.01811	1.4
164.96292	0.6
165.97426	0.5
166.51440	0.4
167.03065	0.5
169.00175	0.5
169.03445	1.6
170.97038	0.5
170.99298	0.6
171.00661	0.5
172.01303	0.4
172.95280	4.1
172.97401	0.5
174.97409	0.5
175.01796	3.6
176.98320	0.7
177.00919	20.4
177.02527	1.0
178.01033	1.2
179.02319	0.4
179.99791	0.6
181.01791	1.3
181.97925	0.8
182.02623	0.7
182.99649	0.7
184.02573	0.7
184.99052	0.6
185.01170	0.4
185.96674	0.6
186.00847	0.9
186.96880	0.9
186.99141	1.3
187.01796	0.7
187.04466	1.0
187.96219	0.7
188.02541	0.5
189.02650	0.5
189.52611	0.9
190.02388	1.2
190.96240	1.6
192.94084	0.4
192.98094	0.4
193.00172	0.5
193.99376	1.7
194.02419	0.6
194.97029	0.8
195.01570	3.0
195.50661	0.5
195.97737	0.6
196.02336	1.9
198.98648	0.7
199.98619	0.6
200.02625	0.7
201.00717	3.2
201.02454	2.2
201.50407	0.6
201.98495	3.7
202.02382	0.6
203.00093	1.3
203.97005	0.6
204.02107	3.0
204.97885	0.7
205.00282	1.0
206.00592	0.9
206.52547	0.4
206.97389	0.4
207.97754	0.7
210.02121	0.4
210.98938	5.2
211.02788	0.6
212.00227	0.5
212.96909	0.7
214.96329	1.8
215.52924	0.5
216.01988	1.0
216.50943	0.4
216.98251	0.7
217.04124	2.9
217.53674	0.4
218.00990	0.8
219.01944	25.5
219.50078	0.5
219.99512	2.4
220.02100	1.6
220.49814	0.5
221.48788	0.4
221.97737	0.7
222.49454	0.6
222.99228	1.0
224.52954	2.3
224.97041	0.4
225.00638	1.8
225.02689	2.5
225.52800	0.5
226.03325	0.6
228.97879	0.6
230.93846	0.5
230.96239	1.6
230.98036	1.4
231.00154	0.7
231.02287	0.7
231.46294	0.5
231.50079	1.1
231.99771	0.5
233.03423	0.5
233.53487	1.5
233.98087	0.7
234.03287	1.9
235.03850	0.5
236.50713	0.7
239.96645	0.8
240.00597	0.6
240.50691	0.8
241.00699	0.5
242.00151	0.5
242.03368	0.6
242.46761	0.5
242.98309	2.8
243.01967	7.9
243.48103	0.5
243.99246	0.6
245.04015	0.7
245.51340	1.0
248.98877	0.4
251.98169	9.0
252.48245	1.5
254.48874	0.5
254.94250	2.5
260.99048	7.7
261.03024	100.0
261.48813	1.3
261.98547	0.5
262.03207	2.8
262.97174	1.4
263.51236	0.7
263.96960	0.5
266.03622	0.7
266.06296	1.4
269.99200	0.6
271.97565	0.7
272.94760	1.2
275.00891	0.5
280.94894	1.9
284.04590	5.0
285.01346	0.5
285.04663	0.4
288.92178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
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
53.03946	3.9
55.01870	3.6
55.05499	11.9
57.07075	3.5
65.03950	5.1
67.05495	25.2
68.99776	3.2
69.03426	39.5
69.07062	4.9
70.38475	13.0
71.04971	10.2
72.94996	3.3
79.05476	22.4
81.07041	15.6
83.04978	7.4
85.02918	3.4
91.05480	47.6
91.65623	3.0
93.03363	5.7
93.07034	37.7
95.04954	44.5
95.08575	19.9
97.02879	3.6
97.06547	9.3
98.21341	4.8
99.04463	4.7
103.05421	4.4
105.07022	64.6
107.04924	6.4
107.08570	22.6
109.06509	38.7
109.10156	5.3
111.04435	30.0
111.08078	12.9
113.05967	18.5
115.05405	4.0
117.06998	13.5
119.08563	91.1
120.08043	4.5
121.02845	10.7
121.06492	49.2
121.10132	14.3
123.08038	22.0
127.03837	3.4
128.06244	8.9
129.06985	13.4
130.07767	4.0
131.08543	45.4
133.06477	11.2
133.10135	17.1
135.04343	5.0
135.08038	88.3
137.02344	4.0
137.09579	16.8
139.02888	4.0
139.03885	11.4
139.07512	9.1
140.21271	3.1
141.06982	9.8
142.07773	10.3
142.59822	3.2
143.08553	17.3
144.05682	6.5
144.09395	11.5
145.06483	14.1
145.10103	32.1
146.07211	6.5
147.08029	45.6
147.11697	12.7
149.05989	8.4
149.09619	12.6
151.07529	5.5
153.01785	9.3
154.02161	6.1
155.02275	14.8
155.08557	9.5
155.22571	3.5
156.09334	7.8
157.06482	6.9
157.10150	17.6
158.07259	22.4
158.10863	4.8
159.08049	35.2
159.11679	45.9
160.08833	5.6
161.05972	3.9
161.09618	32.9
161.13261	6.6
163.07497	4.4
165.09106	35.9
168.09302	6.9
169.10120	8.4
171.08072	5.7
171.11713	9.5
172.08817	23.7
173.09610	22.2
173.13206	24.5
174.10286	3.5
175.07544	74.1
175.11174	32.9
183.11664	12.7
185.09615	11.3
186.10428	8.2
187.07576	4.4
187.11159	43.0
189.09068	12.2
189.12677	16.4
193.08574	19.3
193.10124	6.8
196.08835	13.0
199.11119	19.0
201.12737	38.8
203.10645	56.1
205.12180	6.3
211.11191	17.7
217.12222	28.3
219.13757	8.2
229.12219	28.4
235.13283	10.4
247.13258	53.0
265.05911	7.0
265.14285	100.0
266.13916	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	265.1064
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03924	8.5
55.01865	12.7
55.05493	7.8
57.03428	2.5
59.04984	3.0
65.03902	4.1
67.05481	6.2
69.03056	3.0
69.03418	54.9
69.07050	4.4
71.04961	2.8
71.78755	3.5
72.31616	1.8
73.02893	2.2
77.03884	2.9
79.05478	72.9
81.03386	6.0
81.07031	6.9
83.04967	14.6
84.08124	2.4
85.02882	3.4
91.05462	17.5
93.03384	2.8
93.07011	7.4
95.04951	30.5
95.08601	3.3
97.02864	14.2
97.06507	2.4
99.04409	2.7
101.05989	5.1
103.05437	7.4
105.07017	23.4
107.04935	100.0
107.08539	4.2
108.05742	2.2
109.02863	4.0
109.06490	9.3
109.10100	2.9
111.04405	5.4
111.83646	2.2
115.03886	5.0
115.05421	10.9
117.03883	2.0
117.07015	16.7
118.60767	1.9
118.80652	1.9
119.04964	3.0
119.08569	6.6
120.08060	2.8
121.06464	7.3
121.10088	4.1
122.07115	2.1
123.07983	3.9
127.03870	4.9
128.06204	5.6
129.05377	2.5
129.06950	14.5
130.07811	2.8
131.01947	2.6
131.04898	10.9
131.08546	21.4
133.06470	17.3
133.10132	4.2
135.04390	67.6
135.08023	2.4
137.11320	1.8
139.03836	5.8
141.06947	6.0
142.07745	8.6
143.08522	6.0
144.05721	4.5
145.06458	23.8
145.10098	15.5
147.08031	2.3
149.05946	5.4
149.09634	3.0
151.07527	4.5
152.06076	2.3
153.05420	2.6
153.06960	6.0
155.08508	21.5
157.04984	4.2
157.06447	5.8
157.10138	4.7
158.07248	8.1
159.08008	22.5
161.05914	6.9
161.09563	6.8
165.06982	7.4
167.06934	2.3
167.08459	2.5
168.05635	3.9
169.06244	2.3
169.96155	2.2
170.07211	2.8
173.05942	17.3
173.09596	29.2
175.07483	3.0
175.11166	3.1
177.09093	9.8
178.08571	4.0
183.08041	21.6
185.09604	8.0
187.07539	7.4
189.09074	13.0
190.06268	5.5
191.10599	6.3
201.09067	49.6
203.06915	3.1
203.10680	2.1
205.08530	13.5
211.07547	10.4
217.08536	8.6
219.10121	46.4
229.08554	19.4
247.09612	25.2
247.13219	4.6
253.04546	2.1
253.54573	3.3
265.10675	66.6
265.14151	5.4
265.18143	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1067
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
51.02363	2.0
53.03927	5.0
55.01864	11.5
55.05503	9.4
57.03411	6.1
57.07021	1.6
59.04975	4.3
65.03934	3.0
67.05475	6.3
69.03422	60.3
69.07041	4.1
69.25697	1.4
71.04967	3.6
71.07738	4.6
73.02892	7.3
77.03910	1.8
79.05482	80.1
81.03391	3.7
81.07032	3.6
83.04973	13.7
85.02878	5.6
87.04420	2.5
91.05465	13.3
93.07039	8.2
95.04958	27.2
95.08609	3.3
97.02888	8.2
99.04409	1.8
101.05997	3.9
103.05437	7.5
103.09002	1.7
105.04478	2.3
105.07024	20.9
107.04939	100.0
107.08575	3.2
108.05694	3.1
109.06491	8.3
111.04401	5.7
113.05930	2.0
115.03893	8.3
115.05397	5.5
116.06184	2.2
117.06981	11.9
119.04904	5.3
119.08575	4.3
121.02904	2.2
121.06477	9.1
121.10110	2.8
125.05968	3.2
127.03851	3.1
128.06158	5.1
129.05469	2.4
129.07005	12.9
130.07689	2.6
131.04912	13.0
131.08545	12.8
132.05635	1.7
132.07979	1.8
133.04980	8.4
133.06483	17.0
133.10092	3.3
135.04396	75.9
135.08022	4.0
137.05952	2.7
139.03819	2.2
139.11119	1.7
141.06949	4.0
142.07808	8.9
143.02992	1.7
143.04826	1.9
143.08498	6.8
144.05659	3.4
145.06461	10.7
145.10135	14.9
147.08069	3.7
147.11685	2.2
149.05980	3.2
149.09584	3.3
151.03819	2.5
151.07515	7.4
153.01801	3.9
153.05406	1.9
153.06963	4.9
155.02179	1.8
155.08542	17.6
157.04889	3.4
157.06410	2.5
157.10101	4.7
158.07219	7.4
159.08026	24.2
161.05911	6.4
161.09555	5.7
163.07474	3.2
165.06982	8.9
167.08563	2.5
168.05667	4.6
169.06409	3.5
171.08047	2.0
172.08868	2.4
173.09602	22.7
177.09108	12.3
183.08032	24.3
185.09544	7.6
187.07498	2.9
189.09070	12.7
191.10612	4.7
195.10060	2.4
201.07182	3.0
201.09076	51.8
203.10600	1.7
205.08492	2.7
211.07547	8.8
219.10129	47.0
229.08635	18.7
237.11133	2.3
247.09627	27.1
247.12204	2.3
247.13121	2.1
265.10654	64.8
265.14386	3.6
265.17993	2.1
266.10947	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53378	1.0
55.05500	1.9
56.40044	0.9
57.07061	1.5
60.04519	100.0
67.05501	2.9
69.07065	6.8
70.99046	3.4
79.05473	4.0
81.07044	36.4
82.11776	1.0
83.08616	2.1
83.85388	1.0
91.05499	1.9
93.07037	29.3
95.08593	13.9
97.10174	2.1
105.07008	1.6
107.08595	11.9
109.10132	12.0
121.10132	96.3
123.11702	5.5
135.11676	7.2
149.13251	24.7
163.14803	1.3
205.19502	50.8
229.49883	1.3
239.87595	1.1
249.12717	1.3
264.23138	2.5
265.12372	2.0
283.95535	1.0
285.03281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.07068	2.6
60.04515	85.7
67.05486	3.2
69.07055	6.3
70.36047	2.8
71.08606	0.7
79.05476	4.5
81.07044	38.2
83.08614	1.7
85.06530	0.8
91.05467	2.2
93.07031	29.6
95.08592	14.1
97.10148	1.8
99.81784	0.6
105.07026	1.6
107.08578	12.9
109.10144	13.4
111.11666	0.8
121.10126	100.0
123.11688	6.3
135.11673	9.9
135.12637	0.8
149.13228	28.2
163.14812	1.5
181.52116	0.6
195.08018	0.7
205.19487	54.4
206.19266	0.8
207.06406	0.6
249.09076	0.7
264.13013	1.3
264.23166	17.6
265.12222	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	264.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
54.24559	0.7
55.01859	0.9
55.05491	1.2
57.03440	3.8
57.07059	3.2
60.04499	2.9
61.02904	3.7
67.05481	1.2
68.99780	0.8
69.03414	12.2
69.07037	1.6
70.06575	1.7
71.03355	2.3
71.04981	1.3
81.03397	4.1
85.02893	68.5
91.03925	1.7
97.02882	11.1
99.04422	1.5
102.09164	100.0
103.05419	0.8
109.02844	6.5
112.06203	0.8
116.07073	3.1
117.07453	1.6
120.08073	2.8
121.08466	4.1
123.04409	8.9
124.07561	2.7
127.03900	13.1
128.04250	1.6
134.06790	0.9
137.02315	3.4
138.02637	2.4
142.08574	0.8
145.04948	7.2
146.49342	0.7
153.01808	17.3
154.02141	20.9
163.06018	1.0
176.04359	0.8
191.06859	0.8
195.12888	0.7
215.30379	0.7
246.11340	1.8
261.77585	0.9
264.05862	11.4
264.11926	4.1
264.14566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74597	0.7
67.01841	0.7
68.99775	0.8
70.06596	2.9
71.25013	0.7
71.25353	0.7
81.03399	1.2
94.06561	1.9
100.91717	0.5
116.07079	8.5
117.73103	0.5
118.67173	0.5
120.08094	11.9
127.03914	2.6
130.06512	40.5
131.06900	0.6
132.04431	16.8
137.02325	7.3
153.01810	45.7
154.02133	0.9
157.07597	100.0
158.05998	42.8
158.08046	1.3
159.06320	0.7
171.02901	0.7
175.08650	59.2
196.54211	0.5
199.08661	3.3
203.08133	21.3
204.06546	1.1
217.05112	0.6
217.09735	10.0
221.09203	25.4
245.04347	1.5
245.09190	13.3
263.05518	16.7
263.10233	8.5
263.13730	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1638
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
53.03942	0.4
55.01863	0.5
55.05495	1.1
57.07074	2.1
59.04986	1.3
67.05484	1.2
69.03414	1.1
69.07052	1.3
71.04987	0.6
71.23889	0.3
71.81367	0.4
71.81730	0.4
79.05490	3.0
81.03394	0.4
81.07049	6.0
83.04564	0.5
83.04978	4.7
85.06521	1.5
88.07605	0.7
91.05482	4.2
93.07027	3.9
95.04971	4.0
95.08592	2.0
97.06508	2.5
99.04427	0.9
105.07013	6.4
107.04932	1.2
107.08587	4.7
109.02899	0.3
109.06520	2.6
109.10136	1.5
111.04444	1.9
112.84282	0.4
115.05453	0.8
117.07021	2.8
118.94673	0.4
119.08572	11.7
121.06479	2.4
121.10131	2.0
123.08044	1.5
125.05973	1.4
128.06189	1.4
129.06989	1.3
131.08521	1.3
133.06444	0.8
133.10115	8.0
135.08035	6.7
135.11646	0.7
137.05946	0.5
137.09607	1.9
141.06949	0.5
142.07803	0.7
143.08537	4.1
145.06494	1.8
145.10110	1.6
146.07242	1.4
147.08035	10.7
147.11708	0.9
149.09616	1.6
153.01805	1.4
156.09291	0.7
157.10107	3.0
159.07991	1.0
159.11687	3.7
160.08896	0.5
161.05997	0.5
161.09598	10.0
161.13268	1.2
162.16676	0.4
163.07523	3.1
163.11156	0.6
165.09131	0.8
169.10178	0.6
170.10893	1.1
171.08075	0.7
171.11696	0.7
173.09612	0.6
173.13185	1.3
174.06682	0.5
175.07455	0.4
175.11206	0.7
175.14783	1.5
177.09087	1.8
179.08527	0.5
179.10712	1.8
185.09576	0.8
185.13229	2.1
187.11182	0.5
189.09062	5.9
189.12703	0.7
190.09805	0.7
194.10860	0.6
199.11115	0.4
199.14842	0.8
201.12758	0.6
203.10628	0.5
203.14322	5.6
204.18352	0.5
205.12259	0.4
207.10123	6.4
207.11925	0.6
215.22000	1.4
217.15889	0.7
221.45052	0.4
227.14267	1.2
245.15375	3.6
248.15622	0.6
263.16391	100.0
263.23929	3.6
264.16769	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0548
Annotation	Maclurin
Peak:m/z	Relative Intensity
52.09598	0.2
53.03946	0.3
58.46947	0.2
67.01855	3.1
68.99779	2.1
69.03415	1.5
71.05008	0.3
71.81396	0.3
79.01837	0.3
81.03401	2.1
81.07027	0.4
83.01316	0.4
85.02908	0.4
91.05490	0.3
94.06596	0.3
95.08601	0.4
97.02882	1.3
99.67054	0.2
105.07001	0.6
107.08570	0.3
111.00783	0.4
111.04396	0.3
112.10119	0.2
119.08593	0.4
121.10079	0.3
123.08041	0.4
125.02312	0.4
127.03894	5.8
129.01778	0.4
133.06508	1.4
137.02319	15.0
138.05475	0.5
147.04359	0.8
153.01805	100.0
154.02155	0.5
159.08020	0.2
159.11531	0.2
161.09547	0.2
165.09090	0.3
171.02875	6.5
171.04248	0.3
173.05939	0.2
175.03877	1.6
179.03320	0.3
189.05457	0.3
193.04889	0.6
199.03809	0.4
203.03407	2.5
217.04953	2.0
221.04503	0.3
245.04431	7.6
245.11716	0.5
263.05475	34.4
263.13248	0.8
264.05655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40145	0.4
60.88420	0.4
65.86008	0.4
70.73123	0.4
70.94318	0.9
70.94691	1.0
76.32278	0.4
77.00931	1.1
82.99902	1.6
89.00925	0.7
101.00860	16.5
112.89635	0.5
113.00918	1.5
115.02459	0.8
119.01905	36.6
131.01886	9.0
133.03502	0.7
137.02919	4.6
139.02422	0.9
142.03545	0.7
143.01877	34.7
144.01912	0.7
145.03433	2.5
149.02939	1.5
153.69249	0.5
155.01877	4.6
157.03447	4.9
159.01479	0.6
161.02934	100.0
162.01732	0.5
162.03110	1.5
163.04514	0.7
167.01929	0.8
173.02937	13.3
175.04449	1.4
179.03981	3.0
184.04529	3.3
185.02921	3.9
191.03966	9.7
203.03978	35.8
204.04124	0.9
221.05048	6.1
233.04852	1.2
239.06093	3.8
245.05026	0.6
248.17427	0.5
263.05951	40.9
264.06082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0546
Annotation	Maclurin
Peak:m/z	Relative Intensity
55.01860	0.2
57.42245	0.2
59.05212	0.2
64.05762	0.2
67.01853	1.7
68.99773	1.3
69.03420	1.3
70.06581	0.3
71.10419	0.6
81.03400	1.8
83.01337	0.3
86.11810	0.2
97.02888	1.0
111.00777	0.3
127.03897	5.3
135.08061	0.6
137.02319	15.6
153.01805	100.0
154.02153	0.6
171.02887	0.8
174.78542	0.2
175.03844	1.5
187.11133	0.2
193.04924	0.6
203.03448	0.4
203.10666	0.3
221.04541	0.2
245.04350	1.3
245.11700	0.4
263.05472	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0547
Annotation	Maclurin
Peak:m/z	Relative Intensity
51.02372	0.2
67.01859	1.8
68.99770	1.4
69.03421	1.5
71.05334	0.4
78.54073	0.2
81.03409	1.9
83.01321	0.4
86.94166	0.2
92.65080	0.2
97.02895	1.0
111.00753	0.3
125.02283	0.2
127.03909	5.6
130.34709	0.2
137.02325	16.2
147.04434	0.3
153.01811	100.0
154.02135	0.6
171.02861	0.3
175.03896	1.8
179.03268	0.3
179.11191	0.2
193.04976	0.5
203.03394	0.4
205.01292	0.3
207.34976	0.2
245.04538	1.1
263.05484	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	263.0547
Annotation	Maclurin
Peak:m/z	Relative Intensity
53.22775	0.2
53.79301	0.2
55.01869	0.4
67.01864	1.7
68.99759	1.3
69.03413	1.7
69.43404	0.2
71.23666	0.4
79.01828	0.2
81.03401	1.7
83.01357	0.3
97.02892	0.9
111.00756	0.3
125.02313	0.3
127.03905	5.4
129.30159	0.2
137.02324	14.2
139.03801	0.2
147.04407	0.3
153.01804	100.0
154.02161	0.7
171.02852	0.7
175.03900	1.6
193.04968	0.3
194.92975	0.2
203.03386	0.8
234.90671	0.2
245.04416	1.6
263.05475	29.4
264.05829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01540	0.2
67.01867	1.5
68.99783	0.9
69.03419	1.5
69.54353	0.2
70.91922	0.3
70.92272	0.8
81.03406	2.1
83.01329	0.4
85.46610	0.2
97.02876	1.0
111.00788	0.3
127.03901	5.1
137.02327	15.2
153.01810	100.0
154.02142	0.4
171.02916	0.6
175.03935	1.3
179.03297	0.3
193.04971	0.7
203.03378	0.6
227.63557	0.3
245.04556	1.2
263.05481	33.5
264.05890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0547
Annotation	Maclurin
Peak:m/z	Relative Intensity
51.62484	0.2
61.33659	0.2
65.96963	0.2
66.84055	0.2
67.01856	2.2
68.99770	1.0
69.03414	1.4
70.06594	0.3
70.92226	0.5
70.92562	0.4
71.62611	0.2
79.01826	0.2
81.03417	2.2
83.01318	0.4
97.02872	0.9
107.04911	0.2
113.12204	0.2
116.07065	0.7
120.08086	1.1
127.03903	6.1
130.06503	4.1
132.04427	1.5
137.02321	16.4
147.04373	0.4
153.01807	100.0
154.02151	0.8
157.07593	10.3
158.05988	5.0
168.07785	0.2
171.02870	0.7
175.03871	1.6
175.08652	6.4
179.03360	0.2
189.05412	0.3
193.04951	0.5
199.08656	0.4
202.53116	0.2
203.03381	0.7
203.08153	2.4
217.09668	1.2
221.09181	2.7
232.78342	0.2
245.04489	1.7
245.09224	1.6
263.05481	30.9
263.10110	0.8
264.05954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24567	10.5
76.02841	2.5
77.00204	2.5
84.15286	3.1
97.02872	3.0
101.00874	16.7
113.00863	5.1
119.01900	35.3
121.79923	2.4
131.01875	16.2
143.01892	39.0
149.02913	3.6
155.01901	11.5
161.02943	100.0
173.02962	35.2
185.02934	4.5
191.03963	15.5
203.04002	23.0
204.04054	2.9
221.04990	2.9
263.01736	21.5
263.05582	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.6
63.04612	2.4
65.48791	2.9
69.77020	5.4
69.77435	15.6
73.31548	2.6
85.02893	4.1
101.00847	14.5
113.00823	3.1
119.01902	32.4
121.54733	2.7
131.01898	13.0
137.02979	4.1
143.01881	34.7
145.03476	3.0
153.01807	25.3
155.01888	9.6
161.02939	100.0
163.03891	3.5
173.02948	35.0
174.04324	3.4
185.02913	4.6
191.04013	22.9
203.03995	25.6
221.04872	3.3
239.05940	3.7
263.01645	40.8
263.05591	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0548
Annotation	Maclurin
Peak:m/z	Relative Intensity
54.20839	0.2
54.95977	0.2
61.83735	0.2
67.01859	1.5
68.99783	0.8
69.03421	1.4
71.13638	0.5
71.19641	0.2
81.03400	0.4
83.01342	0.3
85.02913	0.6
97.02880	0.8
109.02891	0.2
127.03922	0.7
130.05008	1.0
134.09618	0.9
137.02336	7.5
137.03329	0.3
153.01813	100.0
154.02151	0.7
157.43120	0.2
171.02870	0.7
245.04404	0.2
253.79114	0.2
262.37717	0.2
263.05484	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	14.3
67.03673	10.6
71.52931	10.7
71.53254	15.4
77.68446	14.5
97.89853	10.7
103.15028	10.2
111.45200	10.4
119.01886	23.2
126.60851	10.9
129.74844	11.0
131.01913	17.7
143.01875	38.0
148.90813	10.9
161.02945	100.0
169.58913	12.2
173.02940	26.5
185.00443	10.9
185.02806	12.6
191.04085	12.2
191.16853	11.6
203.03966	19.4
263.01602	71.5
263.05994	21.0
274.69043	10.1
274.90640	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	262.1798
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
50.84771	0.4
57.07070	2.8
65.87680	0.3
69.57575	3.8
70.06582	6.9
71.04969	0.4
71.08604	1.9
81.07010	0.4
84.08124	1.0
87.04456	26.4
88.07622	6.6
94.84682	0.3
95.08594	0.5
102.09200	0.6
105.06999	0.6
106.08633	0.9
114.09124	2.5
118.05769	0.6
118.06528	8.2
118.08651	0.9
119.24113	0.4
129.94371	0.3
130.08633	0.4
132.08072	3.9
132.10184	10.4
133.06473	1.3
133.08858	2.1
134.09631	0.6
137.02383	0.6
146.09627	3.7
150.11232	8.9
153.01819	3.7
156.08858	0.4
168.03909	0.4
176.14323	64.8
177.14731	0.9
186.18411	0.5
200.20084	0.7
203.03438	0.5
205.57683	0.4
218.21127	3.2
232.13261	0.4
262.04257	1.1
262.17996	100.0
262.23737	54.2
263.05463	1.6
263.09457	0.4
263.12732	0.7
263.18344	1.4
263.23959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2162
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05494	0.8
57.07061	0.5
57.60558	0.3
58.06320	0.4
58.06593	7.3
59.51720	0.2
67.05485	1.4
68.38789	0.3
68.44042	0.3
69.07068	3.0
70.06571	0.3
70.67574	0.3
70.96394	0.9
79.05479	1.2
81.07050	2.1
82.07383	0.3
83.08605	0.8
84.04499	2.0
91.05441	1.4
93.07054	2.3
94.06559	0.5
94.07347	0.2
95.08601	3.6
97.06497	0.4
105.07018	3.3
106.07399	0.3
107.08598	1.8
108.08115	0.5
108.08895	0.4
109.08936	0.3
109.10152	0.6
110.10467	0.2
112.07605	1.2
117.06997	0.6
119.08573	2.1
121.06469	0.9
121.10133	1.6
122.09615	0.4
131.08565	6.9
133.10136	0.5
135.11685	0.7
136.11198	7.8
136.12218	0.4
143.08556	0.8
145.10118	3.6
147.11644	0.8
148.33775	0.3
149.09619	0.6
159.11719	0.6
161.13240	0.3
163.14804	1.7
164.10786	0.3
165.12709	0.6
168.13808	0.7
171.11685	0.4
174.12718	0.3
176.14281	0.3
177.16345	0.5
178.15939	0.3
185.13254	0.7
187.14804	1.7
203.17873	0.6
205.15897	1.8
206.15338	1.3
227.17865	0.3
242.19164	0.4
244.10370	0.4
244.20500	1.5
262.04263	0.7
262.21646	100.0
263.21945	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38736	0.4
53.03922	1.7
53.62584	0.6
55.01853	0.7
55.05269	0.7
55.05503	8.6
57.03412	0.6
57.07071	3.2
65.03923	0.9
67.05494	29.3
69.03413	1.2
69.06734	0.7
69.07056	8.6
70.60053	1.1
70.60419	1.0
71.04976	2.2
71.08597	1.0
71.90500	0.5
75.74014	0.4
77.03877	0.6
79.05480	37.2
81.07044	34.6
83.04967	1.3
83.08594	5.6
85.06525	2.7
91.04920	0.9
91.05468	18.3
93.07029	53.4
95.04951	4.3
95.08591	25.9
97.06521	2.6
97.10151	2.8
99.04376	0.6
99.08086	2.3
105.07017	18.3
107.04968	0.7
107.08578	35.1
109.06495	2.0
109.10143	10.2
111.04404	1.5
111.08070	2.1
117.07027	4.5
119.08569	12.6
120.08822	0.5
121.06480	1.4
121.10123	30.2
123.08047	1.1
123.11697	4.2
124.80420	0.5
125.05972	0.7
129.06990	1.4
131.08551	11.6
133.10112	9.1
135.08069	0.8
135.11674	23.5
136.12022	1.1
137.09607	0.9
137.13254	1.2
142.07733	0.7
143.08510	0.6
145.06487	0.5
145.10107	14.3
147.11679	9.1
149.05942	0.8
149.09769	0.5
149.13237	21.5
153.05437	0.5
153.12720	0.7
155.08588	0.9
157.10112	1.2
158.07149	0.7
159.11682	8.5
161.13234	7.8
163.11165	1.3
163.14801	14.4
165.12759	1.2
167.07104	0.6
167.08540	0.6
167.14320	0.6
169.10147	0.6
173.06061	0.5
173.09590	2.9
173.13222	7.8
175.07475	0.8
175.11232	0.6
175.14845	2.6
177.12775	0.6
177.16386	4.1
179.14310	0.8
182.10962	0.8
185.09520	0.6
187.11163	0.8
187.14806	5.7
191.14236	1.0
197.13222	2.9
201.09074	11.9
201.16377	1.9
202.09337	0.6
203.10674	4.9
205.08566	0.6
205.15775	0.7
210.10498	0.6
215.10707	0.7
215.14261	0.8
215.17838	0.7
217.19576	0.6
219.10118	1.2
233.22646	1.3
234.71162	0.5
243.10263	2.7
243.13808	9.9
243.21053	24.9
244.21300	0.8
261.11212	5.6
261.14627	4.8
261.22104	100.0
262.22232	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02360	0.5
53.03941	2.0
53.14051	0.4
55.01857	0.7
55.05234	0.5
55.05503	8.9
57.03426	0.9
57.07062	2.4
65.03911	0.9
67.05495	30.2
69.03420	0.8
69.07058	8.9
71.04974	1.5
71.08605	1.2
79.05479	37.7
81.07043	34.9
83.01314	0.7
83.04945	0.8
83.08607	5.0
85.06508	2.8
90.87962	0.4
91.05469	21.2
93.07030	54.0
94.07362	0.5
95.04964	3.8
95.08593	26.8
97.06514	2.9
97.10149	2.6
98.21455	1.0
99.08097	2.7
103.05435	0.6
105.04469	0.4
105.07015	14.2
105.82182	0.4
107.08578	36.5
109.06497	2.7
109.10136	11.2
111.08052	2.6
111.11668	0.5
111.48334	0.4
113.09625	1.1
117.06992	5.1
119.08563	11.0
121.06432	0.6
121.10128	30.9
122.10471	0.5
123.04432	0.5
123.08043	1.3
123.11703	3.3
125.09594	1.0
130.07764	0.6
131.08546	10.4
133.10104	10.8
135.06660	0.4
135.08017	0.6
135.11668	26.8
137.09586	1.3
137.13245	1.3
139.11159	0.8
143.08572	0.5
145.10098	10.3
146.10458	0.5
147.11658	9.3
149.13235	21.9
151.11157	0.7
151.14809	0.4
153.05414	3.3
153.12759	0.6
159.08047	0.5
159.11673	9.8
161.13234	10.5
163.14803	16.5
164.37495	0.4
165.05450	3.2
165.12738	1.0
173.13237	8.0
173.14690	0.3
173.96623	0.4
175.14809	3.1
175.36868	0.4
177.16367	4.4
179.06995	2.5
179.14296	1.1
187.14783	5.4
189.16319	0.9
191.14333	0.5
201.16348	2.4
203.07010	5.1
204.07286	0.6
205.08603	0.8
205.15863	0.8
215.10744	0.6
215.17949	1.5
217.19588	0.6
219.10123	0.7
219.17340	0.5
228.07648	0.7
233.22639	0.9
243.10117	3.9
243.21054	26.0
244.21332	1.1
261.11203	17.4
261.22104	100.0
262.11490	1.3
262.22342	3.7
281.20184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02361	0.6
53.00298	0.4
53.03934	2.0
53.23903	0.4
55.01864	0.6
55.05235	0.6
55.05502	10.4
57.03426	1.0
57.07063	3.3
65.03917	1.2
67.05494	27.3
69.03421	0.5
69.07056	8.0
69.96731	2.0
69.97158	1.0
71.04971	2.3
71.08623	1.0
77.03936	0.6
79.05480	40.2
81.07042	34.3
82.07372	0.5
83.04961	0.7
83.08592	4.4
85.06535	3.1
87.62812	0.4
91.05463	18.6
92.14237	0.5
92.54608	0.4
93.07028	53.6
93.36167	0.4
94.07352	0.8
95.04948	4.1
95.08591	23.8
96.36497	0.4
97.06516	3.4
97.10137	2.0
99.04440	0.7
99.08073	1.9
103.05441	0.5
104.98280	0.4
105.04520	0.9
105.07014	15.2
105.07722	0.9
107.04935	0.7
107.08577	35.6
108.08937	0.6
109.06527	1.5
109.10139	10.3
111.04426	1.6
111.08061	2.0
113.09621	1.0
117.07004	5.1
119.08563	11.1
119.09409	0.7
121.10125	30.9
122.10455	0.9
123.08062	1.1
123.11697	3.9
125.05973	0.6
125.09545	0.9
129.06941	0.5
130.07770	0.8
131.08546	10.9
133.10109	10.5
133.11125	0.4
135.08101	0.9
135.11668	25.1
136.12065	0.6
137.09589	1.3
137.13243	1.4
143.08559	0.4
145.10103	12.1
147.11658	9.1
149.09586	1.1
149.13229	22.6
151.11162	0.8
151.14795	0.6
153.05490	0.5
153.12790	0.9
155.08508	0.7
157.10110	0.5
159.11681	8.6
161.13234	9.1
163.11197	0.6
163.14798	15.2
165.12711	0.8
165.16507	0.6
169.10136	0.4
173.09578	1.3
173.13258	8.6
174.13628	0.4
175.14804	3.1
177.12848	0.4
177.16371	4.8
179.14310	1.1
187.14806	5.7
189.16292	1.1
191.14217	0.5
193.83490	0.5
197.13217	1.1
201.09081	4.8
201.16417	2.4
203.08839	0.6
203.10658	2.7
203.17978	0.7
205.15923	0.6
215.14278	0.5
215.17989	1.4
217.19589	0.7
219.11662	0.6
225.12788	0.7
228.07732	0.9
233.22626	0.9
243.10091	2.9
243.13821	5.0
243.21059	25.0
244.14052	0.5
244.21413	0.8
253.08775	0.5
261.03769	0.9
261.11206	3.0
261.14780	3.9
261.22095	100.0
262.22473	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	261.1482
Annotation	1-(4-Hydroxyphenyl)-1-decene-3,5-dione
Peak:m/z	Relative Intensity
53.03931	2.4
55.05508	1.7
57.07059	2.6
66.72414	0.7
67.05497	1.4
68.99776	10.6
69.03415	1.2
69.07046	1.9
70.06575	0.7
71.04975	6.7
71.77610	1.2
77.03931	0.9
79.05482	1.8
81.07033	2.0
84.08142	0.8
85.06528	2.1
91.05457	3.4
93.07054	3.1
95.04966	5.7
95.08591	5.4
99.04466	0.6
99.66879	0.6
105.03377	100.0
105.07007	2.8
106.03709	1.2
107.08572	3.8
109.06495	0.6
109.10149	2.1
113.06009	1.1
113.09630	17.6
117.07027	0.9
119.08566	3.2
121.06490	1.4
121.10133	3.7
123.04392	1.2
123.08054	14.8
123.08920	1.1
123.11603	1.0
128.06139	0.9
131.04852	1.3
131.08548	1.6
133.10123	3.4
135.08049	1.4
135.11679	3.0
137.09674	1.1
141.09084	13.8
143.08565	1.5
145.10081	2.7
147.04387	21.3
147.11667	2.3
151.03880	2.0
157.10118	0.7
159.11679	1.6
161.13199	1.1
163.11180	0.7
171.07965	1.0
173.09576	0.8
173.13266	2.0
187.03844	2.6
187.14809	2.0
189.09120	1.0
190.02551	1.6
197.13220	1.3
201.08954	1.1
201.16309	0.7
203.17915	1.8
204.03552	0.8
205.04825	0.8
214.21677	1.5
215.03342	1.1
215.14346	0.9
225.12517	1.2
233.04211	2.5
243.02840	2.0
243.10049	1.5
243.13794	21.5
243.17410	0.9
243.20949	3.2
245.03940	0.8
246.01695	0.8
246.04189	2.9
261.03821	26.3
261.06689	7.9
261.14838	39.4
261.18286	2.2
261.22086	4.1
261.26080	1.2
262.04196	1.9
262.15128	1.5
262.23795	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	261.039
Annotation	alpha-D(+)Mannose 1-phosphate
Peak:m/z	Relative Intensity
56.91649	0.2
60.71342	0.2
67.01834	0.2
68.99777	0.5
69.98151	1.3
74.90896	0.2
81.75051	0.2
91.05470	0.2
98.21379	0.4
103.05444	0.3
107.01298	0.2
117.03351	0.2
131.04922	0.4
145.02823	1.0
153.01805	0.7
159.04379	0.6
163.03889	0.4
187.03876	24.9
188.04208	0.7
193.04973	0.6
205.04918	1.6
215.03355	6.4
219.02924	0.5
232.03662	0.6
233.04527	0.3
243.02855	18.3
244.03340	0.4
246.04192	0.3
261.03900	100.0
262.04251	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12132	0.8
55.77972	0.8
56.96554	13.0
57.03428	1.2
57.05814	1.0
61.02886	0.8
63.53499	0.8
69.03421	1.7
69.07057	2.1
70.17326	3.9
70.24834	0.9
72.08154	0.9
73.02925	1.5
81.03400	1.0
84.04491	7.4
84.08128	2.8
84.96030	2.8
85.02898	3.8
86.09683	10.5
88.51595	0.8
97.02872	3.1
97.06508	4.1
98.20742	1.0
98.97566	16.9
99.04443	1.0
101.00864	1.6
102.05554	0.9
110.07179	0.7
110.97504	3.9
112.99100	0.9
113.03477	2.0
113.08386	2.9
115.00715	0.8
115.02398	1.2
116.98604	11.2
119.01862	4.1
126.09140	2.6
127.03873	3.2
128.98546	3.7
130.04979	8.9
130.08618	1.0
131.00145	1.1
131.01875	2.9
133.03458	2.2
134.99640	5.7
135.05051	1.0
138.52037	0.9
140.98578	2.2
143.00172	3.8
143.01909	1.4
145.03436	1.8
146.99605	3.2
147.07611	5.4
148.03851	2.1
148.05977	0.8
149.01160	1.4
154.08589	5.1
155.01907	1.0
157.04428	1.7
158.01376	0.9
158.99615	6.2
159.04973	1.7
160.04503	0.8
161.01234	2.9
161.02899	1.5
168.67546	0.9
170.99617	3.1
171.02722	1.0
171.05048	1.8
173.01250	1.5
173.02997	2.6
173.06654	0.8
175.02765	0.9
177.00661	5.5
179.02148	1.0
180.04614	1.5
187.02664	1.0
189.00670	4.0
189.06096	1.6
191.02234	2.2
195.04729	2.3
200.09174	1.8
201.00691	4.5
201.03648	3.7
207.01839	0.8
217.11810	2.0
219.01718	7.1
219.03514	0.9
221.05070	3.3
229.03180	27.8
237.02805	7.9
243.04761	3.5
243.13408	3.9
261.05807	100.0
261.09415	84.4
261.14200	2.4
279.03809	3.8
279.09647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.039
Annotation	Norswertianin
Peak:m/z	Relative Intensity
55.26645	0.2
55.88758	0.2
59.22958	0.1
68.99793	0.6
71.11758	0.4
75.38586	0.2
81.03387	0.2
95.04967	0.2
103.05486	0.2
114.24073	0.2
117.03359	0.4
123.04395	0.4
131.04877	0.3
145.02763	0.9
151.03882	0.4
153.01816	0.8
159.04375	0.5
163.03845	0.4
187.03877	24.5
188.04234	0.5
191.03339	0.2
192.04123	0.2
193.04900	0.6
198.47382	0.2
205.04912	1.2
215.03357	8.0
219.02831	0.6
232.03615	0.5
233.04385	0.6
233.19821	0.2
237.03908	0.4
243.02859	17.9
244.03352	0.4
261.03900	100.0
262.04245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.5
57.89985	0.1
69.03802	0.1
70.80759	0.4
70.81160	0.3
71.95219	0.2
82.13190	0.1
82.99842	0.2
84.96026	0.8
98.97569	10.2
99.97896	0.3
100.97174	0.3
100.97968	0.2
101.00861	1.4
102.96872	0.8
110.97559	0.4
112.99123	0.2
116.98610	8.0
117.98920	0.2
118.98281	0.4
118.99038	0.4
119.01907	6.6
120.02042	0.2
120.97890	0.7
128.98576	0.6
131.00125	0.3
134.99646	4.9
136.99243	0.2
137.02924	1.5
138.98921	0.5
140.00209	0.2
140.98627	0.6
142.03419	0.2
143.00128	0.5
146.99646	0.5
149.01265	0.3
149.04855	0.2
153.00757	0.7
155.00067	0.2
158.01308	0.2
158.99686	1.7
161.01241	0.3
161.03006	0.2
165.66592	0.2
165.99513	0.2
170.99596	0.6
173.01212	0.7
175.02895	0.3
177.00903	12.7
178.01038	0.6
182.99748	0.3
188.09753	0.1
189.00667	1.2
191.02258	0.6
193.04025	0.2
195.01820	0.4
200.02592	0.2
201.00789	1.7
217.04050	2.3
219.01965	19.6
220.02217	1.0
222.31204	0.1
225.00842	2.0
231.01726	0.3
236.95776	0.2
237.02832	1.0
237.98737	0.6
238.98297	0.2
242.03548	0.4
243.01950	7.4
244.02110	0.4
246.00464	0.1
261.00006	3.8
261.03018	100.0
262.00241	0.3
262.03152	4.7
263.03561	0.4
266.03592	0.2
275.04639	0.3
278.96838	1.2
279.00571	6.7
279.03824	0.6
284.04636	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	261.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.8
56.96559	48.7
57.11330	0.7
69.03423	0.9
69.50522	5.7
69.50944	2.9
70.09092	0.9
71.95251	1.3
74.97588	1.4
84.04491	1.8
84.08172	0.9
84.96023	3.3
85.02882	2.5
86.09689	7.3
93.03411	1.0
94.28201	0.8
97.02892	1.3
98.20734	1.3
98.97570	100.0
99.04445	1.4
106.13467	0.8
110.97549	2.5
114.99869	1.1
115.00683	21.0
116.98607	87.6
119.01836	1.2
127.03853	0.9
128.98601	3.7
130.04979	1.6
131.00151	1.1
133.01704	14.2
134.99643	58.2
140.00163	2.7
140.98569	5.1
143.00163	2.4
144.13860	1.1
146.99637	1.8
147.04413	1.5
148.06071	1.8
151.02783	0.8
153.00688	8.7
155.00024	1.3
155.73033	0.8
156.03354	1.1
157.01691	5.7
158.01270	2.6
158.99638	30.4
161.01227	2.2
161.02760	1.3
163.03894	5.3
170.99634	2.5
173.01312	1.9
173.02892	1.0
175.02774	32.7
177.00688	54.4
182.03401	1.7
188.54948	1.2
189.00699	4.4
189.04179	2.8
189.05844	1.2
191.02242	1.1
193.03835	7.7
195.01750	10.8
198.04324	1.2
200.02313	1.4
201.00682	14.1
219.01759	25.3
229.03076	0.8
237.02792	12.4
261.02917	5.3
261.05853	3.1
261.09540	1.8
279.03879	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	260.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44501	3.2
56.96561	46.5
63.35452	3.5
69.07043	7.9
70.40898	5.9
70.41307	10.1
78.60149	2.8
81.03403	4.0
84.96033	3.7
85.02895	7.3
89.48218	3.0
98.97568	100.0
101.00864	9.9
114.91425	3.2
116.98611	82.0
119.01906	58.0
120.67670	3.0
124.99101	13.9
127.00687	3.2
128.98576	3.5
130.29912	3.3
134.04512	4.6
134.99658	49.8
136.93089	4.1
137.02940	18.0
143.00172	38.9
143.01895	15.0
144.06552	5.2
145.03413	9.0
148.00449	4.6
153.00679	7.3
154.94183	6.9
157.97461	5.6
158.01256	4.1
158.99644	9.9
160.99492	5.2
161.01237	24.8
161.02950	22.6
168.00290	4.6
170.00009	9.7
172.94063	6.7
172.95233	11.8
173.02866	6.0
174.97655	4.9
175.98610	7.0
177.00725	23.7
177.02284	8.3
181.03496	3.9
182.97079	4.2
183.00754	9.2
184.04549	4.6
187.04536	4.7
188.02507	8.7
189.00769	9.4
190.95183	6.4
192.01256	4.5
192.98573	4.1
193.95900	4.9
195.01672	10.0
195.96823	4.9
196.01402	18.9
197.00494	7.3
199.04445	7.0
203.99512	7.3
204.01216	4.0
205.01973	5.4
210.01254	5.8
210.98315	3.8
213.00156	10.7
213.96785	5.5
214.00023	5.0
214.96582	37.1
215.49998	4.7
217.02682	5.0
217.99596	6.0
219.01839	14.6
222.94754	12.2
223.02924	5.5
224.50822	6.0
228.00084	4.8
229.51817	4.4
230.93930	4.8
231.01727	43.9
231.93271	5.4
232.03362	7.2
234.00546	6.3
236.00340	4.3
236.94096	11.3
236.98534	55.7
237.00479	5.0
237.02774	8.0
237.98251	18.2
238.52216	6.2
240.02220	27.1
245.00819	5.4
245.49165	8.2
245.98732	12.2
248.00368	6.8
248.51353	6.4
249.02939	3.6
254.94884	8.2
255.03893	8.1
257.00983	6.6
260.00110	23.7
261.00250	6.2
261.03027	38.1
272.94275	16.3
278.00989	25.7
279.03738	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05491	8.8
57.03399	2.3
57.07055	2.7
65.79735	2.0
67.05502	10.6
68.80272	1.9
69.03429	2.3
69.07066	33.9
69.47205	16.4
69.47624	7.5
71.04989	31.4
79.05473	7.9
81.07054	21.1
83.04970	3.4
83.08588	5.5
85.06526	23.9
86.83253	2.1
91.05444	9.3
91.50751	2.0
93.07032	15.8
94.59513	2.0
95.04935	5.1
95.08588	18.6
97.06525	4.4
102.45170	2.4
105.07011	29.0
107.08577	19.7
107.40526	2.0
109.06506	12.9
109.10123	17.1
111.08070	16.3
115.05405	2.1
117.06976	6.4
119.07756	4.0
119.08559	60.7
121.10135	13.2
123.08071	2.6
123.11701	24.9
129.06926	2.3
130.07768	2.5
131.08556	12.4
133.07739	1.8
133.10124	40.4
135.08038	24.0
135.11624	3.5
135.80266	1.9
137.09575	4.6
142.07799	2.3
143.08543	7.3
145.10104	30.3
147.07996	2.3
147.11662	18.7
149.09604	2.8
156.09341	4.2
157.10158	13.5
159.11673	32.2
160.12399	2.9
161.13231	41.1
163.11177	3.7
165.12700	2.0
171.11632	14.1
173.13293	10.2
175.11246	4.4
175.14801	100.0
176.15511	5.8
177.12744	4.9
177.16313	4.8
180.03726	3.6
181.03868	6.6
185.13229	15.8
189.12762	5.5
189.16376	6.3
199.04897	6.3
199.14812	3.5
201.16382	25.6
203.07004	7.6
203.14270	7.6
215.17877	5.6
217.19545	3.8
241.19495	17.7
259.08664	5.2
259.13281	12.4
259.20544	84.3
259.23300	4.1
269.25803	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	259.1325
Annotation	Heritonin
Peak:m/z	Relative Intensity
50.71652	0.4
51.02388	0.3
52.27440	0.3
52.40506	0.4
53.03928	1.0
55.01849	1.0
55.05501	2.4
55.98626	0.3
57.03431	0.8
57.07063	0.6
65.03933	0.6
67.01852	0.3
67.05509	2.4
69.03420	38.4
69.07063	2.1
70.21655	1.8
71.04970	0.8
79.05486	4.4
81.03378	0.4
81.07043	2.9
83.01334	2.9
83.04960	1.4
85.02895	3.1
91.05467	11.1
93.03434	0.8
93.07033	5.2
95.04959	2.1
95.08588	2.1
97.02869	0.4
97.06513	0.8
101.05960	0.5
103.05460	0.7
105.03375	1.6
105.07018	23.2
107.04943	1.7
107.08579	7.1
109.06493	2.1
109.10137	0.4
113.02350	4.3
115.03945	0.5
115.05453	1.4
116.06217	0.7
117.06995	6.3
119.04930	7.0
119.08563	18.9
121.02856	0.6
121.06497	2.3
121.10171	1.6
123.08060	0.9
125.05907	0.6
125.87975	0.3
127.03924	0.8
128.06201	4.6
129.06979	5.8
130.07761	2.7
131.08553	16.4
132.09386	2.2
133.06487	2.3
133.10114	4.7
135.08035	0.8
135.11604	0.4
137.05943	0.8
139.03888	1.9
141.06947	2.6
142.07758	6.3
143.08548	12.1
144.09319	1.7
145.06459	1.1
145.10104	28.4
146.10884	9.0
147.08015	1.7
147.11665	24.9
147.12895	0.6
148.12015	0.5
149.13199	0.5
151.07439	0.8
152.06180	0.6
153.05452	1.1
153.06976	1.6
154.07721	1.1
155.08522	5.1
156.09332	5.1
157.06497	1.7
157.10107	13.0
158.07266	3.4
158.10831	1.3
159.08060	2.8
159.11662	3.5
160.05203	0.7
161.05936	0.7
161.09584	1.0
161.13223	0.7
164.11757	0.3
165.06966	5.1
166.07794	0.8
167.07179	0.3
167.08548	7.2
168.09190	0.7
169.06387	0.5
169.10112	4.2
170.10876	4.1
171.08038	4.1
171.11679	5.7
172.08838	2.1
172.12459	0.5
173.09622	4.6
173.13225	1.4
175.07515	2.6
175.11142	2.6
177.05408	0.9
179.07014	1.3
179.08534	1.1
180.09309	3.9
181.10106	2.0
182.10895	7.1
183.08037	2.3
183.11696	0.4
184.08795	0.8
185.09637	2.2
185.13228	9.4
186.13997	2.1
187.11247	0.4
187.14801	1.4
189.05461	1.6
189.09097	1.5
191.07005	1.4
195.11671	10.5
196.12424	0.9
197.13223	6.0
198.10384	3.6
199.07526	1.2
199.11180	2.4
200.11798	0.8
201.09100	1.0
203.07004	16.3
204.07681	1.2
208.08798	1.2
211.07552	1.0
212.08348	0.5
213.12712	22.7
214.13387	0.8
215.07109	0.6
215.10739	0.5
215.14325	2.4
216.04012	0.7
217.08568	5.5
223.11198	4.3
226.09839	2.6
231.10184	0.5
231.13756	1.5
241.12221	11.2
241.19569	1.0
244.03679	4.1
244.10748	0.5
259.06009	13.2
259.13266	100.0
259.20511	3.5
259.28235	1.6
260.06354	0.6
260.13647	1.3
271.70337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0962
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
51.13921	0.9
53.03939	5.4
55.01862	2.6
55.05496	0.9
60.07489	0.8
64.14081	0.7
65.03944	2.3
67.05498	5.2
68.99789	3.9
69.03406	1.6
69.07048	1.4
69.91432	0.7
70.63342	2.5
70.63696	1.1
71.01349	7.5
75.22694	1.0
77.25249	0.7
79.05478	1.6
81.03433	0.8
81.07030	1.2
83.04982	1.2
91.05464	7.5
93.03407	1.0
93.07038	3.0
95.04952	10.7
97.02881	3.5
97.06504	5.2
103.05410	1.3
105.07010	4.2
109.02869	13.6
110.03609	1.4
111.04408	1.2
115.05456	9.0
117.07008	2.7
119.08567	2.4
121.02858	19.5
121.06484	3.2
123.04422	9.2
128.06198	4.0
129.06985	5.1
131.04961	1.5
131.08589	2.3
132.05763	1.6
133.06483	6.3
135.04407	1.5
137.02341	1.8
137.05948	2.1
139.05415	1.9
141.06958	8.4
142.07788	1.0
143.04892	2.1
143.08556	3.5
145.06485	2.7
146.60655	1.0
147.04407	3.1
147.08047	0.8
148.14081	0.8
149.02327	100.0
149.06035	2.4
150.03015	4.1
152.06213	1.9
157.06473	10.0
157.10150	1.5
159.04431	1.0
160.05185	45.6
161.05965	85.0
162.06331	1.2
163.03899	7.2
163.07513	1.1
165.05466	1.4
166.07837	0.8
167.03516	0.9
167.08569	6.2
169.06422	4.5
171.04419	1.4
171.08052	2.8
173.02373	1.9
173.05986	3.6
174.06750	1.9
175.03934	2.0
175.07570	5.3
184.05202	3.4
185.05968	17.7
185.09622	1.1
186.06676	1.3
187.07562	2.8
189.05478	3.7
189.09087	87.5
190.09477	2.0
195.08044	10.2
197.05957	2.2
198.06779	2.0
199.07530	1.3
200.04625	1.1
201.05412	1.0
203.07048	3.6
203.10638	1.1
213.05460	23.4
213.08992	8.2
215.07019	31.1
217.05238	1.4
217.08586	30.8
218.08968	1.1
230.05586	1.1
231.06506	74.3
231.09833	4.6
232.06845	3.2
241.04910	8.0
241.08652	3.1
259.06012	72.7
259.09650	74.1
259.61362	0.8
260.03400	0.9
260.06375	3.4
260.10052	2.4
275.61703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66259	0.3
53.03925	0.5
55.01873	1.9
55.05497	1.6
56.05030	12.5
56.15331	0.4
58.99576	3.7
65.03323	0.3
65.03932	0.6
66.47974	0.3
67.05493	0.5
68.05019	1.7
69.03423	1.0
69.07054	0.6
70.02943	2.1
70.06583	0.7
70.99564	1.0
71.77280	0.5
73.01144	0.6
74.02439	0.5
74.06046	0.4
76.02211	0.7
76.03987	1.4
79.05472	3.0
80.04993	1.8
81.05800	0.4
81.07043	3.0
82.06591	0.4
83.04984	0.5
84.04494	2.5
84.08124	1.5
85.01123	5.6
85.06479	0.5
86.00645	3.6
86.48018	0.3
86.99045	2.1
87.02670	2.5
88.02200	1.1
88.03969	0.4
91.05453	1.3
93.07017	0.5
94.06549	1.8
95.04951	1.0
95.08603	0.7
96.08119	1.6
97.01117	1.7
97.02876	1.0
97.08907	0.4
98.09681	21.2
99.05548	0.7
100.11250	5.5
102.05525	5.0
105.03365	0.6
105.07044	0.9
106.06574	0.7
108.08103	1.3
109.06474	0.3
109.08905	0.5
110.09666	4.6
110.19370	0.3
111.02599	0.4
111.04430	1.6
112.03966	3.2
112.81426	0.4
113.04215	8.5
113.04936	0.7
114.03738	1.1
115.05803	0.7
116.01666	7.9
116.04947	0.7
118.05291	0.4
121.02873	0.9
121.06448	0.4
122.09655	1.6
123.04445	0.6
123.10451	0.6
127.03868	0.5
130.05031	2.5
130.06879	2.9
130.08606	2.4
131.06050	1.1
133.07628	2.2
135.04413	0.9
139.03883	1.6
139.05768	0.8
143.02663	2.0
143.06004	0.7
144.01122	1.9
145.06097	1.2
146.05943	0.6
147.04417	0.6
149.02301	2.5
151.03903	0.4
153.05476	0.6
156.08411	14.5
156.10190	17.8
157.06392	0.4
158.07106	2.6
162.02159	2.3
163.03870	1.6
165.01801	0.5
169.05003	0.6
170.07120	7.1
181.04932	0.6
183.02821	0.6
184.69501	0.4
185.05894	0.5
187.07469	0.7
188.08173	29.1
189.03300	1.3
190.09822	0.4
199.06013	2.3
199.07521	0.4
200.04733	0.4
206.09297	1.0
209.04391	0.5
213.05367	0.6
213.10727	0.5
214.06079	10.9
214.08025	0.7
215.05609	1.5
215.07314	0.6
216.06862	5.2
230.05600	0.4
231.06491	1.3
231.08690	0.7
232.07153	25.6
234.08766	1.4
241.04893	0.7
241.07130	1.4
242.08426	1.6
244.03645	8.5
259.05972	8.2
259.08270	100.0
259.11090	45.0
260.06430	0.9
260.08765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42285	0.5
55.01861	1.9
55.05487	1.1
57.03418	0.8
57.07058	0.6
59.76003	0.5
60.03577	0.5
67.05493	1.3
68.66854	0.6
69.03423	6.2
69.07065	3.8
70.06591	0.5
71.77429	0.7
79.05488	2.7
80.30611	0.6
81.03410	0.6
81.07047	1.2
84.08112	0.6
85.02882	0.8
89.03908	0.9
91.05459	1.8
93.07028	1.2
95.04963	0.7
95.08575	0.7
96.09046	0.6
97.02880	100.0
97.06516	10.7
98.97575	1.3
105.03374	0.7
105.07028	0.6
107.04971	0.7
107.08568	0.7
107.86850	0.5
115.05421	1.3
116.98621	0.9
117.06992	0.7
119.04835	0.7
121.02872	0.7
121.10120	1.1
128.06223	1.2
128.98586	0.9
129.07036	0.6
131.04964	0.7
131.08528	0.9
133.02820	0.9
133.06425	0.9
133.10187	0.6
135.04337	0.9
139.03877	21.7
141.07002	1.4
145.02818	0.8
146.99673	1.1
147.04425	2.1
149.02345	2.3
157.04912	1.0
157.06468	1.0
159.04430	1.7
159.08115	0.5
160.05200	1.3
161.02301	3.0
161.05951	4.2
163.03899	5.4
167.08577	1.4
169.06487	1.3
171.04514	1.0
173.02341	5.0
173.06042	2.1
175.03859	1.1
175.07526	0.9
185.06018	1.8
185.09700	0.9
187.07524	0.9
188.04655	0.6
189.05438	2.2
189.09093	3.4
193.04959	0.6
195.08069	1.8
197.05994	1.9
200.04758	0.7
202.06331	0.9
203.03395	1.1
203.12737	1.3
213.05435	2.6
213.09135	1.7
215.06993	16.0
216.04320	0.7
217.04915	1.4
217.08617	1.1
218.05283	0.8
227.05609	1.0
229.04910	14.6
230.05722	14.6
231.06505	3.3
231.10086	2.7
240.04057	0.7
241.04886	4.6
241.08711	1.6
241.19626	0.6
243.02985	1.0
244.03651	49.6
245.04073	0.8
259.06058	57.6
259.09677	61.1
260.06323	0.5
260.10007	0.7
277.10669	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	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16772	0.4
50.86837	0.4
55.05531	0.5
57.07055	1.0
67.05498	1.2
68.73648	0.5
69.03423	8.9
69.07056	2.0
69.73828	4.3
71.04965	0.5
79.05479	1.4
89.03925	0.7
95.25131	0.5
96.45304	0.4
97.02881	100.0
97.06516	11.1
107.08468	0.5
112.42419	0.5
113.05996	3.9
121.02880	0.7
133.02866	1.1
135.04391	1.1
138.37883	0.5
139.03888	21.0
145.02808	1.0
153.04056	0.4
157.04961	2.4
159.04353	0.7
161.02287	2.3
163.03899	5.0
171.04449	0.6
173.02344	4.5
185.06026	0.5
193.04755	0.6
207.02924	1.4
215.07045	6.3
244.03629	5.1
259.06030	14.0
259.09647	4.3
259.15439	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	259.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	6.5
71.19281	0.6
71.19610	1.4
85.02887	0.5
97.02880	100.0
97.06512	4.4
104.27414	0.6
123.71098	0.6
139.03886	20.2
157.04947	1.4
163.03941	2.3
173.02351	1.3
197.06427	0.7
215.07040	1.7
231.99059	0.6
244.03786	2.0
259.06055	6.9
259.09543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00677	0.4
52.21325	0.4
60.95367	0.5
69.03415	6.4
71.19553	1.0
71.19897	0.5
92.86462	0.5
97.02879	100.0
97.06525	2.4
97.09663	0.4
108.06583	0.4
110.26507	0.5
139.03883	23.0
157.04973	1.8
163.03854	0.5
166.82169	0.4
173.02368	0.7
215.07022	0.7
216.04163	1.0
244.03619	2.5
258.55115	0.5
259.05963	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	259.0599
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
54.22663	0.1
55.01834	0.6
56.07851	0.1
57.03418	0.2
67.05480	0.2
68.99756	0.2
69.03373	0.1
69.07056	1.1
69.77102	0.9
69.77509	0.3
79.05469	0.8
83.01326	0.2
89.03879	0.2
89.95200	0.2
97.02851	0.5
97.06517	7.4
104.00613	0.2
117.03356	0.4
129.06891	0.2
130.31012	0.2
133.02756	0.3
135.04376	0.7
137.02292	0.2
145.02811	0.5
147.04395	0.4
154.02643	0.2
159.04391	0.3
160.05133	0.3
161.02367	1.3
163.03877	3.1
172.81078	0.2
173.00902	0.3
173.02327	3.5
175.03905	0.2
185.06012	0.2
187.03839	0.4
188.04735	0.9
213.05431	0.2
215.03487	0.2
215.07021	4.2
216.02219	0.2
216.04158	3.3
217.04749	0.2
227.03256	0.2
241.04788	0.2
243.02768	0.3
244.03633	72.6
245.03947	1.3
257.04562	0.2
259.05978	100.0
260.06348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
51.02391	0.1
51.35839	0.1
52.50962	0.1
55.01839	0.2
55.05484	0.3
57.32837	0.1
59.90371	0.1
66.17274	0.1
67.05460	0.2
69.03381	0.5
69.07014	0.4
69.93894	0.5
69.94301	0.4
70.03732	0.2
79.05441	0.4
81.07039	0.2
87.93581	0.1
89.03902	0.2
91.05427	0.1
93.06989	0.2
94.04150	0.2
95.08552	0.3
96.04419	0.5
97.02869	1.0
97.04774	0.6
97.06525	2.3
98.03181	0.5
103.69707	0.1
105.06990	0.2
108.65308	0.2
114.05495	0.2
118.04121	0.1
119.04892	0.2
121.02853	3.2
121.10098	0.1
129.06918	0.3
132.05656	0.1
133.02814	0.2
133.06502	0.3
133.80394	0.2
135.04398	0.3
137.02315	1.0
141.06895	0.2
147.04419	0.3
149.02307	1.1
156.06480	0.2
157.06694	0.3
159.04375	0.3
160.05217	1.1
161.02341	0.7
161.05966	0.2
163.03870	1.2
171.07822	0.1
173.02339	1.2
173.05942	0.1
175.03922	0.3
185.05940	0.5
185.09332	0.1
187.03914	0.2
187.07507	0.2
188.04669	1.6
189.01904	0.2
189.09027	0.1
193.04939	0.2
195.07974	0.1
197.05879	0.2
199.03851	0.4
203.03371	0.3
207.02841	1.5
213.05386	0.4
213.09003	0.2
215.03459	1.0
215.07008	2.5
216.04167	3.7
217.04872	0.4
217.08896	0.2
226.02626	0.2
227.03366	2.6
227.05423	0.3
228.04108	0.6
229.01352	0.2
229.04877	0.2
230.02049	0.2
231.06502	1.4
231.10054	0.5
241.04900	0.6
241.08659	0.4
243.02892	2.2
244.03645	49.8
245.03918	0.8
259.05994	100.0
259.09393	3.5
260.06284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	Alternariol
Peak:m/z	Relative Intensity
52.35257	0.1
55.01866	1.4
55.05505	0.2
57.03418	0.2
65.03922	2.5
66.04727	0.2
66.59438	0.2
67.05490	0.5
68.99401	0.2
68.99773	3.2
69.03415	0.3
69.07062	0.4
70.36124	0.8
71.01331	0.5
79.05486	0.3
81.03419	0.4
83.04990	0.2
88.60555	0.2
91.05464	0.6
93.03387	0.6
93.07037	0.3
95.01325	0.3
95.04961	0.7
97.02873	0.3
97.06529	0.9
103.05443	0.2
105.03392	0.2
105.07003	0.9
107.04930	0.8
107.08575	0.2
109.02865	0.9
110.03624	0.3
111.04435	0.6
115.05444	1.5
117.06976	0.6
119.04917	0.4
119.08597	0.4
121.02852	18.0
121.06473	0.3
121.10094	0.3
123.04415	5.4
128.06189	1.2
129.06982	2.7
131.04866	0.5
132.77019	0.2
133.06488	0.8
134.03658	0.2
135.04404	0.5
135.08060	0.2
137.02319	1.5
139.05432	1.3
139.11157	0.5
141.06023	0.2
141.06914	0.8
143.04924	0.6
143.08530	0.2
145.02843	0.2
145.06462	1.4
147.04390	2.0
147.08029	0.5
149.02324	100.0
150.03122	3.5
151.03893	0.5
152.06255	0.2
155.06094	0.2
157.06470	8.4
157.10089	0.3
160.05185	1.7
161.04683	0.3
161.05960	3.9
163.03876	2.1
163.07513	0.5
165.01804	0.5
167.03386	1.8
167.04904	0.9
167.08574	0.6
168.05705	0.3
169.06435	0.4
169.67773	0.2
171.04384	0.7
171.07968	0.3
173.02322	0.2
173.05962	0.6
174.06712	0.4
175.03877	0.7
175.07533	3.3
182.24399	0.2
184.05209	1.0
185.05960	15.4
185.09491	0.5
187.03983	0.2
187.07550	0.6
189.05464	1.4
189.09093	2.6
195.05521	0.5
195.08061	0.7
197.05998	0.4
198.06709	0.2
199.07376	0.4
200.04689	0.3
201.05527	0.3
202.06274	0.2
203.06990	1.9
203.12749	0.3
212.04588	0.2
213.05444	22.8
213.08987	1.4
214.05862	0.4
215.07024	1.9
215.10628	0.3
217.04965	0.2
217.08623	0.9
223.07372	0.2
231.06499	72.6
232.06779	1.1
237.51125	0.2
241.04926	7.9
241.08510	0.9
242.05565	0.3
259.05991	70.3
259.09406	2.8
260.06281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0599
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
52.89142	0.4
55.01781	1.2
55.02016	0.4
55.05443	0.5
57.03354	0.5
61.63123	0.4
67.05410	0.9
69.03327	1.8
69.06963	5.0
70.19994	1.8
79.05382	3.9
81.06951	0.8
83.08552	0.6
89.03819	1.5
91.05412	0.8
93.06960	0.7
95.04890	0.5
95.08505	0.8
97.02876	13.6
97.06517	30.7
98.21361	0.7
105.06971	0.6
107.04868	0.7
109.06367	0.5
117.03353	1.8
121.10092	0.5
123.11599	0.5
133.02722	1.5
133.06419	0.4
135.04404	2.9
137.05890	1.2
139.03885	3.4
141.06834	0.4
145.02827	1.7
145.10069	0.4
147.04297	0.6
157.06430	0.5
159.04317	1.6
161.02325	6.8
163.03889	14.7
173.02318	13.4
175.03842	0.5
175.07495	0.4
185.05923	0.8
187.03705	0.8
187.07526	0.5
188.04604	1.1
189.05399	0.5
189.09048	0.4
195.19812	0.4
213.05513	0.5
215.06998	17.2
216.04190	3.1
231.06456	0.5
241.04877	0.5
241.08612	0.7
244.03636	65.0
245.04016	1.4
259.05994	100.0
259.09555	10.6
259.16965	1.6
260.06357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	2,6,7-Trihydroxy-9-methylxanthen-3-one
Peak:m/z	Relative Intensity
65.55800	0.1
69.89750	0.5
69.90156	0.3
76.67275	0.1
80.75672	0.1
81.03400	0.3
88.29147	0.1
91.05471	0.2
98.21522	0.2
105.03362	0.2
105.06976	0.1
107.01293	0.1
108.02123	0.2
115.05472	0.3
121.02890	0.2
131.80991	0.1
137.02397	0.1
144.05663	0.3
147.08044	0.2
155.04916	0.4
157.06491	0.2
160.05238	0.4
161.02347	0.7
161.05971	0.7
167.24338	0.1
171.04381	2.0
175.07523	0.7
185.06009	0.3
188.04683	1.6
198.03163	0.1
199.03880	1.9
203.03397	0.3
203.07013	1.6
209.08452	0.1
213.05470	0.4
215.03406	0.4
216.04156	12.2
217.04790	0.4
227.03383	1.2
231.06512	4.3
235.05882	0.1
241.04832	0.2
244.03650	4.6
244.06175	0.2
245.04416	0.5
259.05988	100.0
260.06323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53558	0.2
98.20723	0.4
98.63035	0.2
134.68513	0.2
149.15164	0.2
151.03824	0.4
160.05167	0.3
163.09102	0.2
185.05914	0.4
188.04601	0.4
191.06963	0.5
199.03821	0.4
213.05373	0.8
215.03307	0.3
216.04147	26.3
217.04736	0.7
227.03357	0.2
231.06459	0.6
235.06004	0.5
241.04791	0.3
244.03642	11.2
259.05984	100.0
260.06317	2.0
264.76718	0.2
267.82941	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0599
Annotation	Alternariol
Peak:m/z	Relative Intensity
52.13197	0.6
53.03944	3.6
55.01862	2.5
55.05497	0.9
65.03925	3.3
65.75657	0.7
67.05490	5.1
68.99784	3.4
69.03416	0.7
69.07068	0.9
69.71851	1.2
69.72289	4.2
71.01341	7.6
75.19867	0.6
79.05478	1.4
81.07056	0.7
83.04972	1.4
91.05468	6.5
93.03377	0.8
93.07012	1.5
95.04391	0.8
95.04954	7.9
97.02876	3.0
97.06513	4.9
98.20641	1.2
103.05516	0.6
105.03372	1.4
105.07008	3.2
107.04911	0.8
109.02863	11.1
115.05419	5.8
117.07000	2.8
119.08555	2.3
120.39176	0.6
121.02848	16.1
121.06470	2.7
122.46751	0.7
123.04395	7.2
128.06206	2.7
129.06995	4.6
131.04950	0.8
131.08533	2.3
133.06458	6.8
135.04402	1.7
137.02313	1.4
137.05991	1.9
139.03929	0.8
139.05412	1.5
141.06970	6.1
142.07819	0.8
143.04895	2.3
143.08551	4.0
145.06458	2.3
145.10110	0.7
147.04369	3.4
147.07990	0.9
149.02321	100.0
149.05981	2.9
150.03088	3.7
152.06178	1.7
157.06458	10.6
157.10089	1.8
159.04384	1.3
159.07925	0.8
160.05182	33.5
160.16643	0.6
161.05963	73.9
163.03862	4.1
163.07529	1.2
165.01637	0.6
165.05435	1.1
167.03456	1.0
167.04942	1.1
167.08501	3.9
169.06479	3.0
171.04437	1.2
171.08058	1.6
173.02327	2.7
173.05946	3.8
174.06715	1.2
175.03876	2.5
175.07509	3.4
184.05174	1.8
185.05949	15.6
185.09422	1.2
186.06812	0.9
187.07498	4.1
189.05452	2.6
189.09082	71.2
195.08022	5.8
197.05952	1.9
198.06691	1.0
199.07564	1.0
200.04634	1.1
201.09241	1.2
203.07042	2.9
205.08696	0.8
209.04341	0.9
210.73621	0.7
213.03351	1.0
213.05443	24.8
213.08932	7.1
215.06985	25.1
215.10452	1.3
217.08575	22.9
226.06329	0.9
229.04929	0.8
230.05698	0.8
231.06491	73.9
231.09801	3.7
232.06863	0.8
241.04948	8.2
241.08632	2.1
244.03668	0.8
259.05997	77.0
259.09625	66.6
260.06183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0598
Annotation	1,6-Dihydroxy-5-methoxyxanthone
Peak:m/z	Relative Intensity
55.61039	0.2
69.91069	1.3
72.76667	0.2
76.82372	0.2
81.16058	0.2
82.00532	0.3
86.77893	0.2
97.06490	0.2
105.07032	0.2
106.28678	0.2
108.02021	0.4
121.02843	2.5
134.03543	0.4
141.13353	0.2
147.04382	0.3
171.04353	0.4
171.46227	0.2
184.05164	0.2
187.03853	0.5
193.01274	0.2
198.03223	0.3
199.03795	0.7
207.02855	1.3
215.03398	3.1
216.02063	0.2
216.04124	4.6
220.84256	0.2
227.03366	0.3
241.04745	0.3
243.02905	0.7
244.03630	95.9
245.03903	1.5
259.05978	100.0
260.06302	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	259.0598
Annotation	2,6,7-Trihydroxy-9-methylxanthen-3-one
Peak:m/z	Relative Intensity
55.66452	0.2
61.94080	0.2
67.05496	0.2
70.33017	0.7
70.33430	0.4
74.02822	0.1
79.05465	0.3
81.07018	0.2
88.47762	0.2
91.05447	0.7
92.02607	0.2
93.07000	0.2
97.06513	0.3
121.02839	0.4
129.06929	0.2
151.03911	0.3
153.01819	0.2
160.05177	0.5
185.05957	0.2
188.04570	0.7
215.03297	0.7
215.06879	0.3
216.04144	16.1
217.04623	0.5
227.03374	0.5
228.04118	0.3
230.02219	0.3
231.06494	0.4
235.05916	0.2
243.02954	0.4
244.03636	37.3
245.03951	0.4
250.30319	0.2
259.05978	100.0
260.06244	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	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44032	0.2
54.98628	0.4
56.15517	0.2
56.96557	11.6
69.07038	0.4
70.34857	1.1
71.95254	1.6
72.76260	0.2
83.96386	0.2
88.67200	0.2
98.97569	100.0
99.97926	0.4
100.97176	0.7
107.99466	0.2
116.98606	78.1
117.98937	0.4
118.98219	0.6
118.99023	0.5
134.99638	38.4
136.99130	0.2
137.00063	0.3
140.00188	2.0
143.39430	0.3
151.59615	0.2
153.00684	5.0
158.01266	1.5
174.97636	0.4
176.02367	0.3
177.00906	0.3
181.97455	0.3
182.96063	0.2
186.88513	0.3
216.98695	0.7
219.01988	0.3
234.99675	1.4
240.98618	4.2
258.99731	53.6
259.99924	1.2
277.00781	88.6
278.00934	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	259.0598
Annotation	2,6,7-Trihydroxy-9-methylxanthen-3-one
Peak:m/z	Relative Intensity
61.60332	0.3
72.61408	0.3
94.04178	0.5
94.72390	0.4
121.02853	5.3
123.00906	0.4
137.02324	1.3
160.05190	1.2
179.20616	0.3
188.04716	2.9
215.03326	1.5
216.04166	3.0
227.03331	4.7
228.04080	0.9
229.01225	0.5
230.02110	0.5
243.02863	3.9
244.03639	38.5
245.03963	0.5
248.31871	0.3
259.05988	100.0
260.06314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2108
Annotation	Muurolane-4beta,5beta,10beta-triol
Peak:m/z	Relative Intensity
53.03922	1.7
55.05504	31.6
57.07077	8.2
59.04984	2.8
61.02899	2.1
67.05497	29.8
69.03400	3.9
69.06683	2.0
69.07060	34.2
70.93943	3.4
71.04976	9.9
71.08624	1.9
79.05482	16.3
81.07046	57.6
83.04964	3.9
83.08605	19.8
85.06512	8.8
90.50132	1.5
91.05453	10.1
93.07028	37.2
95.04932	2.3
95.08596	100.0
97.06512	25.9
97.10145	23.7
99.08078	9.4
105.07014	25.1
107.08579	49.9
107.09128	0.8
109.06443	2.4
109.10144	52.0
111.08073	2.6
111.11699	3.6
113.09631	32.9
119.08562	16.6
121.10130	50.3
123.08062	1.9
123.11686	31.1
125.09613	8.6
129.09111	1.3
131.08537	3.0
133.10130	12.9
134.05980	2.0
135.11673	16.4
137.09598	2.2
137.13206	4.8
139.11154	11.4
143.08516	2.0
143.10605	6.6
145.10118	4.0
147.11664	36.6
149.13232	4.0
151.11137	2.5
151.14807	3.3
155.08557	1.9
157.10095	2.9
157.12151	2.9
159.11618	3.7
161.13257	11.5
163.14793	22.9
165.12749	5.7
175.14804	3.1
177.16321	5.9
179.17958	8.1
183.13757	11.0
191.17912	9.8
195.17409	9.5
197.19046	3.3
203.17911	35.6
221.18958	13.4
227.61041	1.7
229.05098	2.8
239.17999	2.0
239.20026	15.4
257.01901	2.5
257.04413	19.3
257.07962	2.9
257.11700	3.2
257.15207	2.4
257.18884	3.4
257.21124	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.71497	0.9
53.03938	1.4
55.01859	1.4
55.05493	4.3
57.03408	1.0
57.07064	2.5
65.03909	1.4
67.05490	9.0
69.03416	2.3
69.06728	1.1
69.07031	5.1
70.21046	5.7
71.04971	4.6
74.79105	1.0
79.05476	10.6
81.07042	9.8
83.04928	1.6
83.08615	2.6
85.06521	2.5
88.07619	1.4
91.05476	11.3
93.07030	20.9
95.04965	6.3
95.08591	12.0
97.06490	1.2
99.08113	1.3
103.05450	2.5
105.06335	2.0
105.07008	23.2
107.04945	1.0
107.07911	1.7
107.08582	16.6
109.02864	1.5
109.06493	8.3
109.10139	12.5
111.04424	1.0
111.08057	3.6
115.05427	2.2
117.06976	8.2
119.08566	22.3
121.10127	91.8
122.10477	1.0
123.08030	6.3
123.11664	2.1
128.06174	3.4
129.06985	5.5
130.07813	1.7
131.08557	14.6
133.06509	1.1
133.10120	8.9
135.04498	1.3
135.07050	2.2
135.08028	30.5
135.11639	2.5
137.05959	2.8
137.09587	6.7
141.06958	1.6
142.07750	4.2
143.08548	16.3
145.06435	1.6
145.10114	14.3
147.07928	1.5
147.11668	2.7
149.09641	5.0
151.11073	1.1
155.08534	3.6
156.09296	1.6
157.10115	16.2
158.10844	1.4
159.11681	11.4
161.09592	2.5
161.13245	2.6
163.11131	3.4
165.05435	5.6
168.09296	1.5
169.03360	1.6
169.10152	9.2
170.10957	1.4
171.11688	9.5
173.06052	1.4
173.09634	1.9
173.13242	14.1
175.14796	2.1
177.12637	2.0
179.03369	1.4
182.10825	1.3
183.11670	7.0
184.12469	1.9
185.13257	1.5
187.11142	3.1
187.14825	2.4
189.12663	1.4
193.04939	55.2
194.05316	1.9
197.04433	1.2
197.13213	6.7
199.14798	33.7
201.05441	4.7
201.12692	4.9
203.03342	3.7
211.14835	2.5
213.16396	7.8
214.17229	2.0
215.14238	1.9
215.17801	5.4
229.04884	14.4
229.15822	1.4
239.03659	5.0
239.17935	14.1
257.04407	100.0
257.11667	4.4
257.15411	4.1
257.18970	93.2
257.26511	6.0
258.04849	7.2
258.19336	4.6
258.27905	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	257.1896
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03925	0.7
55.01871	0.8
55.05498	3.8
57.07059	1.8
57.93750	0.7
59.04974	1.2
61.10203	0.7
67.05505	6.2
69.03412	1.8
69.07051	4.7
70.79273	2.4
71.04971	3.9
76.06855	0.7
77.03909	0.9
79.05477	6.0
81.07047	5.3
83.04971	1.5
83.08610	2.3
85.06537	4.5
91.05463	10.0
93.06426	1.0
93.07032	18.7
95.04974	5.0
95.08592	10.5
97.06495	1.3
99.08087	1.1
103.05455	2.2
105.07007	21.2
107.08587	16.2
109.06513	6.2
109.10134	9.5
111.08065	3.5
115.05418	1.5
117.07004	5.3
119.08566	19.6
121.06522	1.2
121.10128	72.0
123.08067	5.5
123.11655	1.9
125.09568	0.7
128.06236	2.5
129.06970	3.4
130.07747	0.8
131.08559	12.2
133.10091	11.1
135.08034	24.2
135.11662	3.3
135.12563	0.8
137.09596	7.6
141.06966	1.6
142.07780	4.7
143.08546	14.9
144.09314	2.4
145.10092	14.8
145.55902	0.8
147.07994	0.8
147.11671	3.0
149.09634	3.8
155.08537	4.5
156.09343	4.0
157.10115	21.6
158.10944	3.6
159.08055	1.8
159.11650	18.2
161.09544	2.4
161.13281	1.8
163.11119	5.3
167.08510	0.8
168.09355	1.8
169.10089	8.6
170.10846	2.2
171.11653	10.4
173.09578	2.0
173.13240	22.6
174.13982	2.9
175.11122	1.8
175.14774	2.4
177.12726	1.5
182.10902	1.3
183.11687	9.0
184.12433	3.1
185.13188	2.0
187.11183	3.4
187.14825	3.6
189.12709	2.5
195.11627	1.2
196.12440	0.9
197.13240	8.3
199.14790	32.9
201.12698	7.2
209.13249	1.3
210.13930	1.1
211.14798	1.2
213.16348	10.1
214.17053	2.2
215.14336	2.7
215.17902	8.0
224.15588	1.9
239.17917	14.5
257.04544	1.4
257.08063	2.0
257.18973	100.0
257.26443	5.1
258.19339	3.3
258.27823	4.1
265.40479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0803
Annotation	3,7-dihydroxyflavanone
Peak:m/z	Relative Intensity
53.03933	0.5
55.01861	4.8
55.05489	0.2
65.03925	1.3
67.05491	2.6
68.99773	2.5
69.03413	0.8
70.22797	0.6
71.73635	0.1
77.03925	0.3
79.01838	0.3
81.03403	0.7
83.01325	13.8
83.04960	0.3
87.03668	0.1
88.43829	0.1
93.03394	1.7
95.04951	4.7
99.00220	0.2
99.00805	1.4
105.03379	3.5
105.04464	0.2
107.01295	1.8
109.02859	1.4
123.00776	0.6
123.04414	2.4
127.03883	0.8
129.03334	0.2
129.06960	0.2
133.02859	0.4
135.04332	0.2
137.02316	5.5
141.01807	7.6
141.05400	0.3
141.06934	0.1
151.03882	11.4
155.03360	5.1
155.04636	0.2
155.08528	0.4
157.05034	0.1
161.02348	0.6
169.04906	2.2
179.03360	100.0
180.03691	1.2
183.08038	0.3
195.02844	0.1
195.07874	0.1
196.06046	0.2
197.04416	70.8
198.04749	0.7
199.04805	0.2
203.49933	0.1
211.07529	0.5
220.05899	0.3
257.08041	50.7
258.08438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Pinocembrin
Peak:m/z	Relative Intensity
53.03943	0.5
54.51325	0.3
55.05499	1.1
57.07062	0.6
67.01855	4.9
67.05484	1.5
68.99768	2.6
69.03426	1.8
69.07054	1.3
70.60542	1.7
71.04971	0.7
77.12386	0.3
79.00162	0.4
79.05477	3.1
81.03397	0.7
81.07040	2.5
83.04951	0.5
83.08581	0.6
84.08127	0.4
85.06555	0.8
91.05461	3.1
93.07027	1.6
95.04964	1.1
95.08595	2.6
97.02874	0.8
97.06519	0.7
97.10198	0.4
103.05453	16.5
105.03375	0.7
105.06999	1.5
106.86292	0.3
107.04932	2.7
107.08572	1.1
109.10152	0.9
111.00798	0.8
111.08063	0.4
113.09667	0.5
117.07018	1.0
119.08557	1.4
121.10122	1.1
123.04424	1.3
123.11691	0.6
125.02376	0.5
127.03873	0.7
127.11244	0.4
128.06213	0.4
129.01820	1.2
129.07005	0.8
131.04909	38.1
131.08557	1.1
137.09561	0.5
141.06934	0.5
143.08533	1.6
145.06459	0.7
145.10106	1.6
147.08078	0.5
147.11713	0.5
151.03886	2.1
152.07016	0.5
153.01804	91.8
154.02109	0.9
155.08557	0.7
156.09450	0.5
157.10100	2.0
159.11674	1.0
169.10060	0.6
171.02863	26.4
171.11650	1.1
173.05968	2.8
173.13254	0.5
176.98335	0.4
179.03325	1.2
183.11678	0.7
187.14806	0.5
191.06967	0.6
197.13167	0.7
199.14812	3.4
215.06970	2.1
229.04980	1.1
239.07074	0.7
239.18048	0.8
257.04517	6.9
257.08047	100.0
257.19040	4.4
257.26392	0.5
258.08304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01870	4.7
55.05507	1.9
55.28971	0.6
56.05033	0.6
57.03432	7.7
57.07070	0.9
61.02921	5.3
65.03915	0.7
67.05497	9.1
68.99775	0.6
69.03427	3.3
69.07057	1.9
69.89114	2.6
69.89536	2.0
70.06210	1.1
70.06583	15.2
71.01329	1.2
71.04971	1.1
73.02915	2.3
74.02422	1.1
75.04465	2.8
79.05489	6.4
81.03398	2.1
81.07046	13.8
82.63027	0.7
83.01336	0.6
83.04974	2.5
85.02899	5.0
85.06523	2.4
89.02360	0.7
91.03944	1.8
91.05477	6.2
92.05820	1.3
93.07026	8.2
95.04966	3.9
95.08598	23.2
97.02875	1.0
97.06529	1.3
97.10160	1.1
99.04468	0.9
101.11387	0.7
103.05452	3.0
105.07018	39.6
107.04945	3.0
107.08548	3.4
109.06516	5.9
109.10161	5.5
110.07242	1.3
111.04429	2.5
111.08081	0.9
113.06005	1.9
115.03918	0.7
115.05443	0.8
116.07084	13.5
117.06998	1.6
118.06532	1.1
119.07314	3.6
119.08556	4.2
119.09298	0.6
121.06495	2.7
121.10138	2.1
122.03642	2.4
123.04449	1.3
123.08057	19.7
123.11650	0.8
125.05984	0.9
125.09651	1.5
128.06207	1.5
129.06995	1.1
131.04929	1.3
131.08571	2.1
133.06479	50.2
133.10086	4.9
134.05972	1.9
135.04401	1.1
135.08034	2.8
137.05962	100.0
137.09579	9.7
138.06366	0.9
139.03876	1.2
139.11160	3.7
140.06032	1.3
141.05421	0.7
141.09100	1.9
143.08554	1.8
145.06470	0.8
145.10114	1.3
147.04445	0.9
147.07970	1.2
147.11667	1.7
149.09595	1.5
151.07494	1.2
151.11215	1.4
152.07036	2.2
153.05481	0.7
153.09026	0.9
155.05951	0.8
155.08545	0.7
155.10715	0.7
157.10110	1.0
159.06551	1.9
161.09573	6.9
162.06744	0.6
163.07469	4.0
163.11168	0.9
163.25662	0.8
165.09097	28.1
167.10695	3.0
173.05882	0.7
175.07527	3.2
175.11148	3.3
177.09143	1.5
179.10678	8.8
181.08589	3.0
181.36754	0.6
183.10153	13.6
185.46129	0.6
191.10715	3.1
193.12206	4.0
195.10196	1.2
197.11726	3.0
201.05464	2.1
203.03488	0.9
203.10646	4.1
209.11745	2.3
211.07637	0.7
211.13206	1.2
221.08049	1.1
221.11726	6.1
229.04918	1.5
229.08566	1.4
234.98969	1.3
239.07005	0.8
239.12769	10.5
239.16463	1.3
251.11803	1.6
253.09637	1.2
255.11249	0.8
255.49904	0.8
257.04395	6.2
257.08112	3.0
257.13818	26.6
257.26788	1.1
261.10205	2.6
279.11328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0803
Annotation	3,7-dihydroxyflavanone
Peak:m/z	Relative Intensity
51.02389	0.1
51.81828	0.1
53.03931	0.4
55.01598	0.2
55.01863	4.8
55.05493	0.2
59.37261	0.1
61.20251	0.1
62.56337	0.1
65.03928	1.4
67.05498	2.8
68.99774	2.4
69.03418	0.9
69.09934	0.1
71.81564	0.2
77.03934	0.4
79.01830	0.3
79.05489	0.2
81.03407	0.5
83.01328	13.2
83.04962	0.2
89.92098	0.1
91.05466	0.1
93.03402	1.7
95.04958	4.3
99.00806	1.5
105.03384	2.4
105.04475	0.2
107.01304	1.9
109.02847	1.1
117.94324	0.1
123.00787	0.5
123.04415	2.3
125.11063	0.1
127.03945	0.7
129.03363	0.4
133.02838	0.5
135.04405	0.2
137.02319	6.0
141.01808	7.9
141.05463	0.2
151.03883	11.1
153.06873	0.2
155.03362	4.5
155.08508	0.3
161.02312	0.4
167.03281	0.1
169.04947	2.1
177.01939	0.1
179.03368	100.0
180.03720	1.2
183.08037	0.5
197.04425	74.0
198.04797	0.9
199.04897	0.1
211.07591	0.6
220.05936	0.2
257.08047	52.4
258.08435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0798
Annotation	3,7-dihydroxyflavanone
Peak:m/z	Relative Intensity
51.02360	0.2
53.03931	0.5
55.01596	0.3
55.01863	5.0
55.05496	0.2
65.03931	1.5
67.05139	0.2
67.05495	2.8
68.99779	2.3
69.03408	0.7
70.14034	0.3
70.14432	0.4
70.65092	0.2
77.03885	0.3
79.01785	0.3
79.05463	0.2
81.03384	0.7
83.01324	13.9
83.04945	0.4
90.68032	0.1
91.05503	0.2
93.03386	1.5
95.04951	4.5
99.00789	1.4
105.03375	3.4
107.01283	1.9
109.02869	1.2
111.04414	0.1
117.01811	0.2
123.00803	0.5
123.04398	2.3
125.02301	0.2
127.03925	0.8
129.03319	0.3
133.02794	0.3
137.02310	5.5
141.01801	8.0
141.05435	0.3
145.10106	0.2
151.03880	11.2
155.03366	4.3
155.08537	0.4
161.02313	0.5
169.04921	2.2
173.09564	0.4
179.03362	100.0
180.03690	1.4
183.08047	0.5
196.05956	0.2
197.04416	66.8
198.04749	1.2
211.07516	0.6
256.29913	0.6
257.08041	49.5
257.30215	0.2
258.08362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0802
Annotation	3,7-dihydroxyflavanone
Peak:m/z	Relative Intensity
53.03930	0.4
55.01635	0.3
55.01870	4.4
65.03923	0.9
67.05491	2.8
68.99789	1.7
69.03424	0.6
70.67232	0.9
77.03893	0.4
78.91905	0.3
79.05491	0.3
81.03397	0.6
83.01331	13.0
93.03387	1.6
95.04964	4.8
99.00797	1.1
105.03378	2.9
107.01321	1.9
109.02873	0.8
110.84882	0.3
123.00768	0.6
123.04449	1.9
127.03897	0.5
129.03340	0.3
133.02831	0.3
137.02325	5.9
141.00801	0.5
141.01816	6.2
151.03894	10.5
155.03369	3.9
161.02420	0.3
169.04962	1.9
179.03372	100.0
180.03711	0.9
197.04434	53.8
198.04823	0.7
206.08963	0.3
211.07588	0.5
219.52965	0.3
236.43950	0.2
257.08057	47.5
258.08386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0803
Annotation	2,3-Dimethoxyxanthone
Peak:m/z	Relative Intensity
51.02391	0.1
51.44965	0.1
53.00297	0.1
53.03930	0.4
54.55748	0.1
55.01861	5.2
55.05487	0.1
65.03924	1.3
67.05493	3.2
68.99773	2.6
69.00140	0.2
69.03413	0.9
77.03941	0.3
78.68803	0.1
79.01836	0.4
79.05479	0.4
81.03401	0.7
83.01326	15.3
83.04967	0.4
89.03917	0.1
93.03387	2.0
93.03934	0.2
95.04955	5.4
99.00797	1.6
105.03370	3.6
105.04485	0.2
105.07028	0.1
107.01301	1.9
107.01991	0.2
109.02862	1.0
115.05450	0.1
117.01825	0.3
118.41339	0.1
123.00809	0.3
123.04407	2.6
127.03896	1.2
129.03406	0.3
133.02820	0.5
135.04395	0.4
137.02316	4.6
141.01804	8.8
141.05403	0.2
151.03883	11.2
153.06963	0.1
155.03362	6.0
155.08525	0.3
156.03610	0.1
160.93204	0.1
161.02295	0.4
164.01054	0.1
166.11771	0.1
169.04939	3.5
179.03363	81.8
180.03703	0.7
183.08063	0.2
196.06036	0.2
197.04419	100.0
198.04730	1.2
199.04858	0.3
211.07611	0.6
211.11057	0.1
220.06047	0.4
229.12119	0.1
242.09276	0.1
256.26270	0.2
257.08038	52.3
257.26636	0.3
258.08463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.044
Annotation	Lambertellin
Peak:m/z	Relative Intensity
51.97914	0.1
53.47139	0.1
55.01846	0.3
55.26108	0.1
56.86627	0.1
65.03924	0.5
67.01833	0.1
68.99780	0.2
74.05484	0.1
79.01831	0.2
81.03386	0.2
91.05460	0.1
92.02590	0.1
93.03355	0.3
103.01794	0.2
103.05447	0.2
107.01283	0.2
107.04936	0.5
109.02850	0.9
111.04440	0.2
115.05421	0.2
117.07018	1.0
119.04863	0.1
119.72871	0.1
121.02864	0.6
121.03702	0.1
128.06189	0.1
131.04890	0.6
137.02309	0.4
145.06459	1.1
147.04398	0.8
155.04915	1.2
155.06041	0.3
159.04399	0.1
173.05960	1.1
175.03886	0.4
183.04448	0.4
187.03842	0.3
189.05420	0.1
201.05426	3.9
203.03362	3.1
207.02853	0.3
210.11142	0.1
211.03856	0.5
215.03316	0.1
221.04347	0.2
228.04155	0.2
229.04930	12.3
233.04407	0.3
239.03418	1.1
256.26471	0.1
257.04410	100.0
258.04785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0437
Annotation	Lambertellin
Peak:m/z	Relative Intensity
51.24006	0.1
52.78927	0.0
55.01862	0.3
55.05488	0.1
57.59031	0.1
65.03917	0.5
67.01835	0.1
67.05460	0.1
68.99760	0.2
69.07047	0.1
71.79449	0.1
74.54511	0.1
79.01839	0.2
81.03384	0.2
81.07012	0.1
91.05453	0.2
92.02551	0.1
93.03398	0.3
95.08595	0.2
103.01791	0.2
103.05458	0.3
105.07033	0.1
105.37910	0.1
107.01257	0.2
107.04918	0.4
107.08525	0.1
109.02862	1.1
109.10165	0.1
111.04383	0.1
115.05447	0.4
117.06992	1.0
119.08613	0.1
121.02861	0.6
121.03731	0.1
127.05367	0.1
128.06142	0.1
129.06944	0.1
131.04893	0.4
131.08522	0.1
137.02306	0.5
145.06458	1.4
147.03528	0.1
147.04402	0.7
155.04863	1.3
155.06004	0.3
157.06477	0.1
159.04381	0.1
173.05959	1.2
175.03885	0.4
179.03249	0.1
183.04393	0.3
184.05211	0.1
187.03844	0.2
200.04649	0.1
201.05434	4.1
202.06001	0.1
203.03357	3.0
207.02826	0.4
211.03709	0.4
215.03345	0.2
221.04324	0.1
228.04160	0.2
229.04919	12.7
230.05270	0.1
233.04338	0.4
239.03360	1.1
256.26300	0.2
257.04401	100.0
258.04745	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
53.60768	1.3
55.01856	3.0
55.05501	4.2
55.70337	1.4
56.96556	45.5
57.03432	7.7
57.07074	12.4
59.04988	6.4
61.02901	7.1
65.03931	1.4
66.38900	1.4
67.05493	3.4
68.05025	1.7
69.03419	12.2
69.07056	15.1
70.06582	3.2
71.04983	3.6
71.95231	2.3
72.08159	1.8
73.02912	9.0
74.97606	3.6
77.06017	1.6
80.14936	1.8
81.03400	8.2
83.04970	5.5
83.06094	2.7
84.04499	1.8
84.08100	2.1
84.96025	3.3
85.02894	41.7
85.06564	2.5
87.04456	5.7
89.03894	8.5
91.00512	1.9
91.03954	1.8
91.05444	1.7
95.04958	6.0
96.01549	1.5
97.02331	3.1
97.02873	14.7
98.01259	1.7
98.03240	1.5
98.97565	39.3
99.04434	11.9
99.97924	2.0
100.02499	2.8
100.99104	2.2
101.00837	2.0
101.02370	3.8
103.00476	1.5
103.02396	2.4
103.03924	16.7
105.02037	3.5
107.04946	2.9
109.02848	11.3
110.01260	4.2
110.07162	8.0
110.97572	5.7
112.01009	5.3
112.02853	1.5
112.99107	1.9
115.02377	3.4
115.03910	6.2
116.98592	23.2
117.03294	3.5
117.03976	5.6
118.03516	2.3
119.00196	1.8
119.01818	22.9
119.04971	1.7
121.01505	10.3
123.05530	3.2
124.03047	1.5
124.03947	9.3
124.05860	4.5
124.99125	1.4
125.73134	1.4
127.02445	8.9
127.03897	23.6
128.02293	22.6
128.98595	6.9
129.01799	3.5
131.01872	4.5
131.03604	2.1
133.01703	3.7
133.03448	4.8
134.06036	2.3
134.99625	12.3
135.04269	10.8
136.06183	2.7
136.93097	2.6
137.02893	5.8
140.02274	3.6
140.05493	1.9
143.00162	6.4
144.98151	2.5
145.01653	3.6
145.03450	61.4
145.04933	14.3
146.99625	6.4
147.03276	2.9
147.04404	6.3
149.02811	4.6
152.02249	3.1
152.06970	3.0
153.04880	6.8
154.01979	2.1
154.03799	5.2
154.94119	3.1
157.01402	3.1
158.06641	1.9
158.99640	14.2
159.03244	8.2
159.04990	2.3
160.06494	2.8
161.01219	9.2
161.02953	5.0
161.04617	14.2
162.05461	6.4
162.99144	4.1
163.02672	3.5
163.03847	54.1
163.06082	3.9
164.04250	3.2
166.02074	3.1
166.03833	2.6
168.05132	5.5
169.03416	44.3
170.05156	4.0
170.99646	3.2
171.05054	2.9
172.95215	12.3
173.01328	2.8
173.02838	9.0
174.04424	2.2
174.55118	1.7
174.99197	7.5
175.02655	15.5
175.04402	42.9
175.54588	5.7
176.05199	2.1
177.00702	18.9
177.04352	8.2
177.05733	1.5
178.04964	3.4
179.02292	1.8
182.03343	11.2
183.54272	2.5
183.55769	3.2
184.04890	100.0
184.55103	7.3
185.01207	3.3
186.55104	1.5
187.02754	4.5
187.04474	52.7
188.04674	2.0
189.00662	6.3
189.02380	2.8
189.03871	8.7
190.96272	6.6
190.98608	3.0
191.02255	5.7
191.03889	2.8
192.05046	9.1
193.00189	10.3
193.03784	3.2
193.05391	3.8
195.55746	12.3
196.05930	1.8
197.03006	2.6
197.98701	1.6
201.00697	3.2
203.02248	3.4
203.05594	3.2
205.00139	2.0
205.03792	7.4
207.03444	2.3
209.03465	2.0
210.02483	1.6
210.06152	5.7
212.04205	2.6
215.04007	5.7
219.01746	7.8
221.03191	2.1
221.06546	2.0
223.01135	6.9
223.04932	4.5
228.13588	3.5
229.03671	1.9
230.05388	1.6
231.01732	2.1
232.97482	3.0
233.01437	4.0
233.05032	3.7
237.02911	8.2
249.02946	4.7
251.02463	8.7
251.06114	5.4
256.03003	7.8
256.06735	4.6
256.09964	2.1
256.16663	3.3
256.19095	6.4
256.26367	4.1
257.05093	2.1
267.04016	2.6
269.07126	4.9
274.04135	5.7
274.07660	7.6
274.97360	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	255.2314
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
52.81400	2.4
53.03941	3.6
55.01848	3.5
55.05235	3.7
55.05503	64.9
57.03418	5.9
57.06794	4.0
57.07066	71.6
57.84977	2.8
59.04987	2.8
62.49455	2.2
67.05495	39.5
69.07060	100.0
71.04961	7.2
71.08623	43.4
71.81038	4.8
73.06541	4.0
79.05482	29.3
81.07050	55.5
81.36567	2.4
83.04977	10.3
83.08607	61.4
85.06522	6.8
85.10175	26.6
87.04466	2.6
91.05475	8.9
93.07028	42.6
95.08594	51.2
97.06505	31.4
97.10155	48.2
98.98442	21.3
99.08087	4.8
101.05983	3.6
107.08583	37.3
109.06472	3.4
109.10139	25.0
111.08075	17.0
111.11681	11.5
115.07572	7.4
121.10126	36.3
123.11707	19.0
125.09610	23.7
125.13258	4.2
127.11103	3.2
129.09094	7.0
135.11682	43.0
137.13245	9.0
139.11160	19.4
143.10654	4.2
149.13237	33.9
153.12740	19.3
157.12126	4.5
163.14786	20.5
167.14278	11.8
177.16411	5.4
181.15871	7.7
192.08066	2.9
195.17371	3.3
195.21039	4.7
199.16847	2.9
219.21037	55.6
237.18504	3.1
237.22058	35.8
237.47733	2.3
248.52605	2.3
248.77725	2.9
255.06456	2.7
255.13799	14.2
255.15839	3.8
255.23273	6.2
255.27914	10.0
256.30032	8.4
262.92499	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01866	4.6
55.05505	19.4
57.03429	37.5
57.07069	5.6
62.81205	0.8
65.03918	1.4
67.05497	57.7
68.99776	2.5
69.03407	1.8
69.07060	20.5
71.01346	5.4
71.04982	8.7
71.81557	1.5
77.03905	1.1
79.05484	45.7
81.03410	6.2
81.07044	30.2
83.04971	14.0
83.08613	6.2
85.02892	2.6
85.06530	5.6
90.46484	1.0
91.05463	20.6
93.07034	55.8
95.04957	7.1
95.08594	13.3
97.06520	18.5
97.10153	15.6
98.98457	12.4
99.04430	1.5
99.08066	3.0
103.05444	1.0
105.07022	6.4
107.04926	1.2
107.08578	39.1
109.06474	3.3
109.10154	9.9
110.09566	0.9
111.04424	2.0
111.07186	0.8
111.08066	2.7
111.11708	2.1
115.05383	0.9
117.07012	5.5
119.05997	0.8
119.08574	7.9
121.06477	3.5
121.10141	10.1
123.08044	1.0
123.11649	1.8
125.09582	4.5
128.06197	1.2
129.06952	2.6
130.07808	1.2
131.08559	2.3
133.10106	7.6
135.08018	2.9
135.11676	84.7
137.09593	3.0
137.39732	1.0
139.07550	1.1
139.11154	1.5
141.06960	1.7
143.08519	2.4
145.06490	0.9
145.10109	13.4
147.11678	2.1
149.13283	2.5
151.11140	2.1
152.06174	2.9
153.06990	8.0
153.12689	2.9
155.02296	1.6
156.09229	0.9
156.13818	1.5
157.06450	6.7
157.10016	1.5
159.11639	2.0
163.11165	10.2
165.07054	0.9
169.06488	1.1
171.08041	3.9
171.11653	1.8
173.13281	1.0
177.12651	0.9
181.06458	16.1
181.09976	1.4
181.12218	17.7
182.11745	1.1
184.13246	1.7
185.05960	3.4
185.13210	1.1
187.07520	1.3
196.35162	0.8
198.06607	1.0
199.07545	8.8
199.13243	1.6
201.16408	1.0
209.05914	4.6
211.14796	1.2
213.05463	6.7
219.17392	3.2
227.07001	15.5
227.09143	0.7
237.05377	2.4
237.14688	1.7
237.16571	1.2
237.18472	8.7
255.06490	100.0
255.15799	52.9
256.06833	6.1
256.16263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.93986	1.1
53.03923	3.7
55.01858	4.0
55.05505	24.8
56.90350	1.2
57.03429	50.0
57.07044	5.5
65.03905	1.4
67.05495	67.4
69.03400	2.4
69.07059	22.5
71.01350	6.5
71.04983	7.2
71.08598	2.3
79.05482	61.8
81.03397	9.0
81.07043	32.6
83.04966	18.8
83.08604	7.6
85.02871	1.9
85.06509	5.1
91.05468	23.7
93.07031	68.2
95.04944	9.0
95.08591	12.7
97.06513	21.6
97.09574	2.2
97.10149	22.1
98.98459	20.5
99.04422	1.9
99.08065	3.0
105.07002	7.1
107.04876	1.7
107.08578	48.3
109.06456	2.1
109.10123	10.7
111.08030	4.5
117.06979	7.0
119.08553	9.3
121.06405	2.2
121.10123	9.4
124.13590	1.4
125.09609	2.3
127.07610	1.5
133.10129	7.0
135.08061	2.9
135.11676	100.0
143.08492	2.5
145.10132	14.7
153.12709	5.1
160.31891	1.2
163.11151	13.2
171.08049	1.4
181.12206	23.6
199.13217	1.7
255.02811	1.6
255.06445	1.7
255.15840	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	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03935	2.9
55.01851	3.9
55.05502	21.1
56.96549	1.3
57.03431	44.5
57.07047	5.2
61.45658	1.1
65.03929	2.7
66.12283	1.0
67.05496	65.7
69.03403	2.2
69.07061	23.3
69.82581	8.8
71.01342	6.9
71.04979	9.3
72.08144	5.6
79.05484	58.1
81.03413	7.9
81.07048	39.3
83.04524	1.2
83.04971	16.2
83.08620	6.2
85.02859	1.9
85.06527	7.3
86.70020	1.3
91.04935	2.0
91.05473	26.8
93.07032	73.3
95.04968	8.3
95.08595	17.5
97.06516	21.1
97.10156	13.8
98.98466	10.1
99.04424	2.8
99.08067	3.9
105.07024	8.9
107.04922	1.7
107.08582	50.3
109.06483	2.9
109.10144	12.4
111.04369	1.6
111.08054	3.8
111.11684	1.9
115.05429	1.5
117.07000	7.7
119.08591	10.2
121.06457	4.0
121.10129	12.4
123.11653	3.2
125.05947	2.1
125.09589	5.1
130.07736	1.6
131.08516	1.5
133.10118	9.5
135.08032	3.4
135.11678	100.0
136.12012	1.3
137.09590	3.9
139.03867	4.6
139.07535	1.4
140.04147	1.3
143.08482	2.2
145.10114	18.2
147.11736	1.9
149.05965	1.4
149.13182	1.7
151.07584	1.2
151.11134	1.8
153.12665	3.6
159.11627	2.1
161.13139	2.2
163.11182	14.1
167.07129	1.7
173.13188	2.1
175.14824	1.8
181.08540	1.1
181.12212	24.7
199.13306	2.7
201.16400	2.5
211.09763	1.6
219.10060	1.5
219.13863	2.4
219.17368	3.6
222.55606	1.8
228.92540	1.2
237.14722	2.3
237.18362	4.1
255.06371	2.4
255.10176	2.4
255.15839	63.9
255.21675	3.4
260.01062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
55.01863	4.3
55.05500	31.1
56.32509	2.3
57.03426	40.9
57.07061	12.2
67.05145	4.9
67.05491	72.9
69.07057	30.1
69.46395	2.5
70.51222	6.7
70.51646	5.0
71.01335	6.0
71.04976	8.8
71.08620	6.1
79.05477	63.1
81.03394	8.3
81.07040	42.2
83.04964	19.3
83.08603	11.7
85.06526	9.2
91.05470	30.2
93.07032	76.1
95.04948	8.7
95.08587	19.8
97.06520	19.2
97.10160	15.1
98.98449	43.6
99.08075	4.7
103.61121	2.2
105.07022	7.8
107.07845	3.4
107.08572	57.3
107.09252	4.3
109.06429	2.7
109.10140	14.8
111.04388	2.5
111.08053	4.6
111.11671	2.5
113.06010	2.5
117.06995	6.0
119.08569	13.0
121.06522	3.3
121.10121	12.6
123.11675	3.2
125.09624	6.7
131.08514	2.9
133.10130	7.3
135.08055	2.9
135.10645	4.9
135.11673	100.0
137.09612	5.7
145.10107	21.4
149.13208	3.8
153.09167	2.8
153.12721	5.1
163.11153	14.9
169.10097	3.2
171.07991	3.2
181.12196	17.7
197.13174	3.2
199.11557	2.7
213.16299	2.4
219.17332	2.8
219.21040	5.6
228.50380	2.3
237.14803	2.7
237.18456	7.0
255.03011	2.9
255.06265	2.8
255.10347	5.1
255.13615	4.3
255.15727	72.5
255.20247	3.5
272.18680	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.3
53.96573	1.8
55.01854	3.0
55.05505	29.8
57.03431	49.1
57.07048	7.2
67.05499	73.4
69.03403	3.0
69.07059	29.2
71.01337	4.2
71.04973	8.8
71.08603	2.1
71.81687	3.1
71.99863	1.7
78.79857	1.7
79.05031	3.6
79.05486	72.8
81.03384	9.4
81.06612	2.7
81.07050	36.3
83.04971	19.5
83.08626	8.3
85.06525	7.6
91.05476	31.9
93.07036	86.4
95.04985	9.0
95.08604	16.4
97.06513	25.7
97.09599	1.7
97.10171	19.4
98.98454	24.4
99.04452	2.5
99.08053	5.4
105.07005	10.3
107.04945	3.5
107.08582	53.6
109.06501	2.2
109.10149	11.8
111.08047	5.5
111.11622	2.1
117.06959	7.6
119.08563	10.8
121.06480	4.0
121.10137	14.5
125.09551	5.0
127.03915	1.9
130.07724	2.2
131.08591	2.8
133.10095	7.3
135.08069	2.7
135.11679	100.0
136.12007	1.9
137.09579	4.3
139.07472	2.2
143.08524	2.9
145.10126	22.9
159.11594	2.1
163.11143	13.7
181.12207	19.0
197.13237	2.2
199.13155	2.7
237.18452	4.3
255.10268	3.9
255.15843	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.69061	2.3
52.13424	2.7
55.01855	4.2
55.05516	13.6
57.03424	19.0
57.07071	3.2
67.05495	36.2
69.07060	100.0
71.01336	4.4
71.04980	19.4
71.82167	3.2
79.05486	25.7
80.81254	2.6
81.03413	8.2
81.07043	14.1
82.19001	3.1
83.01344	2.6
83.04961	10.8
83.08598	4.7
85.06520	7.4
87.08082	7.0
91.05453	10.6
93.07034	33.7
95.04958	6.3
95.08591	8.6
97.06519	6.4
97.10173	20.6
98.98444	10.1
99.04455	4.2
105.06991	5.5
107.08576	29.0
110.39539	2.7
111.45802	2.5
113.05992	67.2
119.08529	7.0
121.06480	3.0
121.10133	42.9
122.84962	2.7
125.09612	9.7
135.11674	44.8
137.09569	3.4
138.88675	3.1
139.11143	28.4
143.10640	2.8
145.10092	7.6
151.07513	22.5
153.12718	4.0
163.11182	4.9
167.10751	5.0
169.08578	56.7
177.01779	3.5
181.12224	11.9
185.11674	4.3
187.09680	16.4
191.14207	5.0
193.15891	2.9
195.02893	15.2
209.15295	9.0
211.17122	4.8
213.08975	6.2
214.21648	2.5
237.14728	5.4
250.04166	2.6
255.10178	6.1
255.13680	13.2
255.15903	51.9
255.17992	3.6
255.21085	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	254.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	6.9
57.03425	5.4
57.07065	9.4
59.04974	7.3
61.10284	4.1
67.05482	16.0
69.07036	18.6
69.88592	18.1
69.89021	11.5
71.04968	6.9
71.43891	3.4
79.05480	12.5
81.07048	44.7
83.04942	7.3
85.06516	13.4
91.05464	16.5
93.07025	44.4
95.04968	5.7
95.08569	33.0
97.06526	13.4
98.98452	34.3
100.36555	4.0
105.07026	27.3
107.08574	21.9
109.10126	16.1
111.08047	17.5
113.05973	6.4
117.06968	4.2
119.08553	55.2
121.10125	100.0
125.09587	6.4
131.08510	4.2
133.10118	18.7
135.11667	17.0
139.11168	34.6
145.10130	21.1
159.11639	41.2
161.13240	69.5
163.11137	5.9
169.08597	7.9
173.13271	5.2
175.14848	7.4
177.16360	18.5
198.07674	3.9
201.16354	63.7
219.17374	47.8
237.18486	56.1
255.13698	5.9
255.15955	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	255.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.5
55.05510	1.2
56.96557	13.8
57.03429	4.9
57.07060	1.4
59.04966	1.0
61.02921	4.9
67.05490	1.0
69.03423	6.6
69.07047	1.3
69.62481	8.0
71.01344	1.1
73.02572	0.8
73.02902	5.9
79.05494	1.4
80.05008	2.4
81.03421	1.8
81.07040	2.0
83.04955	1.0
83.08612	1.5
84.04494	1.1
85.02885	11.9
89.03922	0.9
95.04955	1.0
97.02860	5.7
97.06512	1.0
98.20678	1.0
98.97574	4.9
98.98445	6.4
99.04468	1.5
100.99118	1.5
106.02911	5.8
109.06562	0.8
109.10103	1.1
110.07145	3.8
112.07594	1.4
115.02424	1.2
115.03921	3.0
116.98621	2.6
117.03999	1.4
119.00169	0.9
119.01869	5.0
123.05534	100.0
123.53563	0.8
124.03932	15.4
127.03904	3.2
128.98582	2.5
130.08643	3.1
131.01909	0.9
133.03423	1.5
133.04945	3.7
134.99651	2.0
135.05098	1.5
138.05487	2.2
143.01889	1.6
145.03459	7.4
145.04939	2.8
146.99646	2.6
151.03923	1.1
158.99706	1.7
159.04907	1.6
161.01218	1.6
161.02890	1.9
162.99136	1.5
163.03947	5.5
165.00679	1.6
165.54659	1.6
168.03490	1.0
168.05243	2.1
169.03336	4.2
174.04437	2.3
174.55247	5.0
177.00731	1.4
184.04514	1.4
186.04350	2.6
187.04466	4.0
189.00626	1.2
189.02441	1.5
189.03999	1.5
190.96564	0.9
190.98546	4.0
199.04353	1.3
200.04369	1.1
203.03976	1.4
204.05457	2.9
208.99646	8.4
209.02927	1.2
212.04173	1.0
214.00253	1.0
219.01685	1.0
227.04103	1.3
228.05440	1.2
231.01439	0.9
232.04709	1.4
233.01382	1.8
245.05038	2.2
249.02774	1.5
250.03186	1.4
251.02499	3.3
255.06346	11.6
255.08476	1.5
255.10139	1.3
255.13815	1.3
256.03027	3.7
274.04147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2158
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03917	3.0
55.01860	3.3
55.05502	61.9
57.07068	24.7
59.04987	2.9
66.92344	1.4
67.05498	51.0
68.27859	1.5
69.03404	3.4
69.07056	100.0
71.04973	6.7
71.08603	4.7
79.05479	21.3
80.07346	1.5
81.03409	1.5
81.07046	80.0
82.07355	1.5
83.04957	6.0
83.08609	62.3
85.06532	8.0
91.05469	22.9
92.01299	1.6
92.44005	1.4
93.07029	33.7
95.04945	3.8
95.08592	68.5
97.06531	10.4
97.10155	50.8
98.21565	2.9
98.98451	83.4
99.04409	2.8
99.08080	7.6
100.98892	1.6
105.07018	22.6
107.08577	25.0
109.06484	5.3
109.10150	31.9
111.08058	6.5
111.11712	20.3
113.05994	3.0
113.09623	3.9
115.07537	3.2
116.99491	2.6
119.08558	27.5
121.10139	32.6
123.08068	8.9
123.11694	17.2
125.09592	6.6
125.13241	6.8
127.03889	4.2
127.07490	2.6
129.09108	1.6
131.08557	1.7
133.10110	31.8
135.11678	29.2
137.09595	10.8
137.13213	8.9
139.11186	10.9
141.09108	1.9
147.11661	20.1
149.13232	7.0
151.11217	10.6
151.14812	9.0
153.01804	17.1
153.12747	6.2
155.10677	1.9
157.12093	1.6
161.09618	3.8
161.13242	19.1
163.07404	1.7
163.14760	3.1
165.12756	9.7
169.12204	1.8
171.13724	1.7
174.99236	3.6
175.14812	9.0
177.16350	2.0
179.14262	8.3
183.13849	2.5
189.16335	6.6
191.17984	4.4
193.08569	2.1
193.15796	2.3
193.19495	8.8
209.15343	1.7
217.19481	52.6
229.54785	1.7
235.16933	3.2
235.20540	39.7
246.02274	1.6
253.10715	2.8
253.14240	5.0
253.19019	2.5
253.21608	31.3
254.17339	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2159
Annotation	11-Methoxyopposit-4(15)-en-1beta-ol
Peak:m/z	Relative Intensity
53.03929	1.4
55.01856	1.0
55.05499	9.4
57.03418	1.7
57.07070	7.1
59.04978	2.6
67.05205	0.9
67.05497	11.7
69.03398	2.3
69.06699	1.0
69.07055	13.1
71.04977	4.9
71.08618	1.9
71.79668	1.2
71.80055	1.2
72.60869	0.8
73.06538	2.0
75.26365	0.8
79.05480	6.4
81.07048	23.3
83.04956	2.0
83.08616	4.5
85.06516	3.8
86.32387	0.9
87.07591	1.1
87.08098	21.9
91.05467	9.4
93.07041	13.5
95.04945	3.3
95.08595	36.4
97.06511	2.3
97.10152	2.5
98.98457	100.0
99.04456	4.7
99.08068	1.6
103.73811	0.9
104.21451	0.9
105.07019	26.6
107.08585	19.6
109.06476	3.1
109.09428	1.7
109.10151	21.8
111.04383	2.3
111.08071	2.4
111.11699	1.4
113.06020	1.1
113.09649	3.1
114.96880	0.8
116.99498	4.5
117.07008	1.6
119.08567	29.6
120.08886	1.0
121.06435	1.1
121.10136	16.9
121.11990	0.9
123.08038	2.8
123.10875	1.5
123.11696	15.1
125.09573	1.8
127.07566	1.4
131.08551	1.0
133.10115	15.3
135.11664	13.5
135.68987	1.0
137.09593	2.7
137.13219	2.2
139.11143	1.7
140.01073	1.6
141.05473	1.3
145.10123	1.9
147.11673	38.4
148.11964	0.9
149.09608	1.5
149.13231	6.8
151.11159	2.7
157.10057	1.2
159.11642	2.2
161.13258	11.0
163.14827	9.2
165.09097	1.0
165.12752	3.3
167.38708	0.9
174.99214	2.2
175.14781	3.3
176.98924	2.0
177.16368	8.4
179.10609	0.9
182.10863	1.1
183.11650	1.0
193.08505	0.9
193.12265	1.1
195.10161	1.9
197.09840	1.1
197.11664	2.7
197.92342	0.8
201.16283	0.9
203.17941	46.6
204.18268	1.0
217.12204	1.0
217.15904	1.9
217.19406	0.9
221.18971	16.5
235.09464	1.3
235.15089	2.1
235.16989	2.1
235.20618	1.5
253.08559	1.9
253.12149	3.1
253.14351	4.4
253.18181	2.3
253.21619	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.01866	2.3
55.05503	16.0
57.03428	3.9
57.07072	11.4
58.35274	1.0
59.05000	2.1
62.82288	1.1
65.03934	1.7
67.05495	22.3
68.43272	1.0
69.03415	4.5
69.07061	25.1
71.04613	1.4
71.04987	25.5
71.08622	2.9
71.81069	1.3
71.81490	1.8
79.05489	9.6
81.07048	34.7
83.04965	6.5
83.08612	13.9
85.02880	2.7
85.06534	5.9
89.72781	1.2
91.05453	10.8
93.07029	18.4
95.04958	23.1
95.08598	27.4
97.02851	1.1
97.06522	6.6
97.10166	9.4
98.98456	100.0
99.03796	2.0
99.04442	40.4
99.08056	6.0
101.06004	1.3
105.07020	21.3
107.08585	21.4
109.06489	5.1
109.10149	37.8
111.08087	5.5
111.11715	6.4
113.06007	2.5
113.09633	1.6
116.98653	1.2
116.99501	4.0
117.07005	2.4
119.08559	26.5
121.06485	2.1
121.10126	18.4
123.04433	1.3
123.08071	5.0
123.11674	7.2
125.09600	10.4
127.03885	2.3
127.07547	5.3
127.11169	2.1
129.05440	4.2
131.08473	5.5
133.10120	15.4
135.08044	1.7
135.11674	12.8
137.05994	2.4
137.09592	5.7
137.13211	3.9
139.03893	3.9
139.07555	1.6
139.11162	2.9
141.09073	2.4
143.08580	2.6
145.10147	7.5
147.07985	2.6
147.11671	21.5
149.09639	2.8
149.13275	5.7
151.11116	3.2
151.14793	1.6
153.01807	5.6
153.09233	1.1
153.12717	3.6
157.10072	3.3
159.11679	10.5
161.09618	4.2
161.13229	15.9
163.03960	1.3
164.12683	1.2
165.09111	2.9
165.12756	4.1
173.13333	1.3
174.99165	3.4
175.07535	1.3
175.11177	3.9
175.14799	8.0
176.98935	2.5
177.12735	2.5
179.10635	2.2
179.14334	4.5
189.12773	1.5
189.16356	10.0
191.17924	3.5
193.15878	4.6
196.08600	2.2
197.11632	2.3
199.14825	4.7
207.17433	3.1
210.06764	1.4
217.12329	2.1
217.15871	15.5
217.19411	8.0
235.09604	3.6
235.13210	3.9
235.14986	1.5
235.16951	26.6
235.20384	5.7
253.04839	1.3
253.08389	2.6
253.10536	4.0
253.14020	6.1
253.16138	0.7
253.17964	18.7
253.21602	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	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
54.56074	0.5
55.01867	0.7
55.05497	1.6
57.03422	0.7
57.07059	1.2
59.04982	1.0
67.05500	3.4
67.37461	0.5
69.03419	0.8
69.07063	2.5
69.58782	1.8
69.59203	2.4
71.04982	27.9
79.05476	2.2
81.03402	2.2
81.07047	7.3
83.04964	1.8
83.08611	1.3
85.02866	0.5
85.06531	1.4
91.05473	3.2
93.07035	4.6
95.04957	14.0
95.08596	6.0
97.02870	0.4
97.06519	1.4
97.10165	0.6
98.98453	27.6
99.04441	100.0
100.04793	1.1
100.98852	0.5
105.07001	2.8
107.08586	3.8
109.02880	0.6
109.06481	0.9
109.10153	3.0
113.05978	1.0
113.09661	0.5
114.41471	0.4
116.99514	0.7
117.06990	0.7
119.08566	16.8
120.08855	0.5
121.06455	0.6
121.10132	6.5
123.04442	1.2
123.08049	1.6
123.11685	0.5
125.09618	0.4
127.07516	0.9
129.06981	0.5
131.08563	1.8
133.10088	2.6
135.08037	0.9
135.11667	2.6
137.09615	1.5
137.13254	2.4
139.03864	1.0
139.11151	2.2
141.09134	0.9
142.07745	0.5
143.08609	0.8
145.10173	0.8
147.11642	1.7
149.13229	1.0
151.11179	0.6
157.10086	2.3
159.11665	13.1
161.09688	0.5
161.13208	1.6
165.09142	1.0
169.04993	1.0
171.11560	0.5
173.13327	0.6
174.99181	0.6
175.11201	1.3
175.14801	4.8
176.98938	0.5
177.12750	5.0
183.02881	1.3
189.12662	0.5
189.16325	1.0
193.12248	0.9
193.15919	0.5
197.11641	1.1
199.14796	2.2
207.13719	0.5
217.15872	5.8
235.09657	1.2
235.13228	1.4
235.15004	0.8
235.16940	8.9
235.20514	0.6
247.06602	0.4
253.04765	0.5
253.08626	1.2
253.14098	0.7
253.18040	9.4
254.17993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03936	0.8
55.05490	2.2
57.03418	0.8
57.07061	1.4
59.04978	1.0
67.05492	3.0
67.09351	0.6
69.03410	1.3
69.07055	3.0
70.13505	0.5
71.04979	25.3
71.79305	0.8
79.05466	1.9
81.03399	1.4
81.07044	7.6
83.04990	1.0
83.08591	1.2
85.02905	0.6
85.06526	1.5
91.05471	4.1
91.39777	0.5
93.07026	5.5
95.04952	15.2
95.08596	7.4
97.02853	0.6
97.06508	2.1
97.10156	1.0
98.98450	34.1
99.04436	100.0
100.04766	0.8
105.03394	0.6
105.07014	3.6
107.08575	4.4
109.06487	1.7
109.10141	3.5
111.08055	1.0
113.06004	1.1
113.09616	0.7
116.00922	0.6
116.99498	1.5
117.07032	1.5
118.22700	0.5
119.08560	17.0
121.06510	0.7
121.10104	7.5
123.04359	1.0
123.08071	1.2
123.11687	0.9
125.09605	0.5
127.07552	0.9
129.06969	0.6
131.08556	2.0
133.10114	2.9
135.11694	2.7
137.09625	1.4
137.13239	2.3
139.03917	1.6
139.11179	2.0
141.05463	0.5
141.09088	1.4
143.08542	1.4
144.09302	0.8
145.10068	1.0
147.11687	1.8
149.13191	1.3
151.11214	0.7
153.12689	0.8
157.10107	2.1
159.11665	14.1
161.09648	0.6
161.13240	0.8
163.68785	0.6
165.09111	1.2
169.04974	1.2
171.11888	0.5
173.13219	0.7
174.99239	0.6
175.11157	1.2
175.14775	4.4
176.98912	1.2
177.12727	5.2
179.10629	1.1
179.14442	0.5
183.02882	1.7
189.12744	0.8
189.16360	1.1
193.12155	0.9
197.11705	1.4
199.14778	2.9
217.15825	8.3
231.07135	0.6
235.13145	1.1
235.16960	9.4
253.04996	1.0
253.08522	1.9
253.18059	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	253.1795
Annotation	[2R-[2alpha(2R*,4E),5beta]]-2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-hydroxy-6-methyl-4-hepten-3-one
Peak:m/z	Relative Intensity
51.17360	0.8
51.68702	0.7
55.05497	3.1
55.62595	1.0
57.07068	77.6
61.02877	0.7
65.03928	2.7
67.05499	21.3
68.03658	0.7
69.03432	1.2
69.07066	4.3
70.53317	3.5
71.05001	3.6
71.08622	100.0
79.05482	2.7
81.03392	0.9
81.07046	11.2
83.04966	1.3
83.08615	1.7
85.06532	2.6
91.05466	4.2
93.07021	4.8
95.04958	57.8
95.08591	8.2
97.02869	0.9
97.06505	1.9
97.10162	1.2
98.98456	71.8
99.04456	1.6
99.08067	0.8
105.07014	4.7
106.29314	0.7
107.08584	5.3
109.06532	1.2
109.10124	5.0
111.04420	2.9
111.08090	0.9
112.06166	0.7
113.05984	1.9
113.13252	4.8
116.99497	3.4
119.08593	5.2
121.10143	2.7
123.08058	2.1
123.11687	8.5
131.08585	1.0
133.10129	5.5
135.11681	6.0
137.09589	1.8
140.01007	1.6
141.12746	3.4
147.11685	3.9
149.13300	1.0
151.07506	1.1
151.11188	1.6
157.10109	1.6
159.11702	1.7
161.09596	2.3
161.13292	1.8
165.09024	0.9
167.10703	1.0
173.13223	1.6
174.99196	2.3
175.11137	1.5
175.14766	1.1
176.98946	1.9
177.12662	0.7
179.10603	1.9
183.11781	0.8
189.16411	1.9
193.12263	1.8
197.11690	1.8
207.13737	1.0
207.17447	1.3
217.15874	3.5
235.17020	4.4
253.08580	1.4
253.12219	2.1
253.14337	2.8
253.17981	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	253.1795
Annotation	(+)-Epitodomatuic acid
Peak:m/z	Relative Intensity
51.78682	0.8
53.03947	1.3
54.42060	0.8
55.01867	0.8
55.05502	9.5
56.34069	0.8
57.03418	1.2
57.07067	79.5
59.04976	1.7
66.66762	0.9
67.05492	21.6
69.03404	1.7
69.07056	6.6
71.04984	3.5
71.08620	100.0
71.80633	1.1
79.05484	3.3
81.03423	1.2
81.07045	16.2
81.07487	1.4
82.67911	1.0
83.01331	0.8
83.04959	2.3
83.08598	2.8
84.44091	0.8
85.06527	2.5
85.10165	1.0
87.08095	18.6
91.05471	6.8
93.07031	7.1
95.04955	55.8
95.08591	14.5
97.02880	2.8
97.06503	1.8
97.10136	1.3
98.98454	80.9
99.04494	1.9
105.07014	11.2
107.08587	8.8
109.06519	2.6
109.10126	9.0
111.04438	3.7
111.08041	1.4
111.11751	1.0
113.02373	1.5
113.05988	1.5
113.13252	6.6
116.99499	2.8
117.07041	1.4
119.08564	11.6
121.10119	6.1
123.04411	1.0
123.08064	3.0
123.11696	12.1
127.07478	1.1
131.08604	1.4
133.10109	8.1
135.11710	2.0
137.05945	1.0
137.09610	3.2
137.13289	2.1
139.07538	1.6
140.01064	1.8
141.05373	1.2
141.12711	3.6
143.08521	0.8
145.10069	1.3
147.08067	2.5
147.11664	15.5
149.13235	3.0
151.11165	1.7
159.11646	1.4
161.09634	1.6
161.13260	3.0
161.74242	0.9
165.09062	4.8
165.12732	1.0
169.04958	3.6
169.09998	1.1
174.99225	2.5
179.07077	1.4
179.08496	1.0
179.10645	1.9
182.10892	1.0
183.10254	1.4
183.11781	1.5
189.16432	2.4
193.12213	1.3
197.11708	1.4
197.13293	1.4
203.17932	14.8
207.37289	1.0
217.15991	1.2
221.19014	3.6
235.09442	2.2
235.17056	2.3
235.20699	1.4
238.09886	1.0
253.12148	5.7
253.14369	4.1
253.16524	0.9
253.18027	9.0
253.21703	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03930	3.3
55.01862	5.7
55.05502	9.9
57.03433	3.5
57.07069	7.5
67.05497	15.3
69.03420	5.7
69.07059	11.3
71.04988	12.4
71.78864	2.1
79.05483	23.4
81.03392	2.0
81.07043	39.0
83.04960	5.7
83.08605	5.3
85.02910	1.1
85.06541	7.4
91.05466	16.9
93.07034	39.5
93.13805	1.0
95.04954	9.7
95.08591	22.5
97.02856	2.6
97.06532	11.7
97.10155	3.0
98.98452	100.0
99.04437	8.8
99.08086	13.1
101.06001	1.7
104.53007	1.0
105.07013	27.7
107.04945	2.5
107.08582	25.8
109.02885	2.8
109.06505	17.7
109.10170	9.6
111.04424	2.8
111.08078	5.2
111.11718	1.2
113.05984	11.7
113.09692	1.6
116.99508	3.4
117.07018	3.1
119.04979	2.1
119.08564	21.5
121.06490	38.3
121.10110	8.2
123.04429	2.0
123.08083	5.3
123.11692	4.7
125.05997	1.8
125.09639	1.9
125.52980	1.0
127.03907	3.4
127.07534	14.7
128.06210	1.7
129.07002	5.1
129.09099	1.5
131.08578	6.3
133.06522	1.7
133.10103	21.5
133.11049	1.8
135.04388	2.5
135.08037	12.5
135.11678	4.8
137.05977	4.3
137.09607	4.3
139.07510	11.5
141.05466	3.0
141.09091	4.5
142.07733	3.3
143.08580	7.6
145.10123	7.1
147.08034	3.9
147.11665	23.3
149.09573	3.1
149.13269	3.9
151.07553	2.6
151.11182	2.2
153.01808	3.6
153.09087	3.1
155.08545	1.2
156.09331	3.0
157.10127	14.2
159.11647	3.0
161.09586	4.6
161.13245	9.6
163.14825	1.6
165.07039	1.5
165.09064	6.0
165.12749	8.0
166.07568	1.5
166.08769	1.6
167.10747	1.5
171.11659	11.2
173.09631	2.3
173.13257	2.5
174.99187	2.4
175.07584	1.5
175.11172	17.8
175.14832	3.5
176.98920	2.6
179.10648	2.2
179.14325	1.3
181.10150	1.4
183.02960	1.4
183.10236	2.6
183.13719	1.2
184.08827	1.2
189.08951	1.1
189.12730	17.8
189.16391	2.4
191.14360	1.8
193.06471	1.3
193.12218	9.9
193.15933	1.2
197.11693	3.8
199.11163	15.8
199.14821	2.7
207.13803	9.0
217.12212	50.2
217.15858	4.8
217.19571	1.8
218.12537	1.7
235.09563	3.4
235.13268	50.3
235.16861	9.4
235.20583	1.6
236.12946	4.9
253.04980	2.7
253.08536	2.2
253.14223	23.1
253.18089	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	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15413	0.4
52.86788	0.5
55.05508	0.6
56.96555	1.9
57.03423	1.4
57.07057	1.3
59.04989	1.3
61.02905	1.8
69.03419	5.0
69.07042	1.1
70.14838	2.8
71.04968	0.7
73.02932	0.8
73.06544	100.0
74.06110	0.6
79.05487	0.5
81.03400	1.7
81.07044	1.1
85.02892	20.7
87.04424	0.5
91.03945	0.9
91.07581	5.9
95.04954	0.6
95.08585	1.0
97.02880	4.6
98.98454	33.6
99.04451	1.7
105.07038	0.9
109.02862	1.7
110.07176	0.7
116.99487	0.8
127.03926	3.7
135.04279	0.5
136.06165	1.0
136.07582	0.6
143.00169	0.7
143.30414	0.5
145.04950	2.9
147.04395	0.9
147.66478	0.5
153.01872	0.8
161.01251	1.1
163.06010	0.8
165.05417	0.6
176.60858	0.5
197.11684	0.8
223.15253	0.6
231.01767	0.6
237.02966	0.5
249.02792	1.2
253.16220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59691	0.4
52.00177	0.4
55.05512	1.8
57.03427	0.8
57.07066	53.8
66.32987	0.4
67.01875	0.5
67.05507	2.1
69.03422	0.9
69.07065	1.9
70.12309	2.3
71.04980	1.3
73.01955	0.4
79.05488	1.0
81.03410	0.7
81.07044	3.0
83.04965	0.6
83.08611	1.1
85.06528	10.8
91.05500	1.1
93.07043	1.0
95.04943	0.7
95.08598	2.5
97.02943	0.8
97.06555	0.6
97.10159	0.7
98.20628	0.4
98.98451	33.9
99.04431	0.5
105.07032	1.4
107.08585	1.4
109.06525	0.7
109.10132	2.6
113.06000	0.6
116.99471	1.1
119.08572	1.7
121.06517	0.5
121.10119	0.9
123.08058	0.8
123.11688	0.5
127.03900	18.9
127.07554	3.6
131.08527	0.5
133.10115	1.7
135.11717	0.7
137.02367	0.4
137.09579	0.4
141.05472	1.0
147.11729	1.1
149.09610	0.5
149.13150	0.5
153.01805	100.0
154.02150	1.4
159.11696	0.4
161.13179	0.4
167.03358	3.7
169.04988	1.0
174.99258	0.6
176.98882	1.0
179.03447	0.6
179.14317	0.5
189.16284	0.6
193.08716	0.4
197.16519	0.4
217.12300	0.5
217.15904	0.6
235.13202	0.7
235.16908	1.0
253.08118	1.0
253.10658	20.2
253.14264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1068
Annotation	CHEBI:70192
Peak:m/z	Relative Intensity
50.31511	1.0
50.80349	0.8
51.52353	0.9
52.60212	0.9
53.03915	1.4
54.43740	0.8
55.01859	4.0
55.05502	7.2
56.96552	1.2
57.03433	8.7
57.07069	5.3
64.66474	0.8
65.03933	3.5
65.16780	0.9
67.05497	9.0
68.99792	1.9
69.03412	3.6
69.07066	16.1
70.06576	1.8
71.04973	7.1
71.77629	1.9
74.04177	0.8
79.05475	9.3
81.03419	1.5
81.07047	16.3
83.04977	8.5
83.08608	4.4
85.02905	2.6
85.06533	3.8
87.76579	0.9
91.05464	11.1
93.03402	1.3
93.07024	8.6
95.04975	5.7
95.08591	13.1
97.02892	2.0
97.06511	9.1
97.10148	3.3
98.98455	83.4
99.04435	2.9
99.08084	15.9
100.98868	1.7
103.05471	2.0
105.03400	0.9
105.07024	9.1
107.04952	1.7
107.08580	9.8
109.02859	1.6
109.06522	4.9
109.10143	7.2
111.04434	6.0
111.07990	2.3
111.11726	1.6
113.06009	5.8
113.09606	2.7
115.05428	1.0
116.99483	3.8
117.07005	2.7
118.07788	2.6
119.04955	1.3
119.08566	14.3
121.02872	2.9
121.06499	2.9
121.10134	6.0
123.04406	3.6
123.08019	3.1
123.11695	3.1
125.09601	2.1
127.03015	1.0
127.03916	2.7
127.07555	9.0
128.06212	3.4
129.06993	14.7
131.04900	2.2
131.08575	5.0
133.06487	2.6
133.10112	6.2
135.04355	0.8
135.08020	1.8
135.11670	2.8
137.05957	2.6
137.09604	2.2
139.03882	15.4
139.11095	1.1
141.05418	1.1
141.09088	4.2
143.08548	1.5
143.25835	1.0
145.06416	2.2
145.10129	1.1
146.07291	1.6
147.04408	2.8
147.08029	5.4
147.11674	4.0
149.02371	1.3
149.09622	1.3
149.13222	1.6
151.07532	1.2
151.11157	2.6
152.09642	1.0
153.05492	1.8
155.03387	7.9
156.04167	3.7
157.04950	4.5
157.06488	5.3
157.10036	1.6
157.58707	1.0
158.07281	2.6
159.04430	2.8
159.07913	1.2
161.05928	3.0
161.09586	18.1
161.13217	1.9
163.03886	2.0
163.07506	1.7
163.11234	1.6
165.05525	1.2
165.09091	6.6
165.12796	1.9
168.00526	1.4
169.04947	65.8
169.10092	1.5
171.08055	1.2
171.11685	2.0
173.05894	1.1
173.13229	1.7
174.06769	13.5
174.99225	3.1
175.07509	9.3
175.11197	1.8
175.14714	2.5
176.04704	1.7
176.98952	2.3
177.05469	4.9
179.03339	5.3
179.06969	1.3
179.10709	1.3
181.05013	1.3
181.08539	1.3
183.02873	24.8
183.06541	2.4
183.10136	1.9
185.05936	2.5
186.01645	2.0
189.05475	3.8
189.09088	36.7
189.12646	1.6
189.16391	2.5
191.03366	1.7
191.07027	13.6
192.07747	1.7
193.04953	3.6
193.08659	1.4
193.12230	1.8
197.08070	2.5
197.11742	2.4
199.14796	2.1
203.07054	6.6
204.07805	3.0
205.04929	4.1
206.05743	7.6
207.06560	9.6
207.10133	23.8
207.13737	1.6
209.08067	15.9
210.06769	0.9
217.08652	7.7
217.12221	3.8
217.15855	2.9
217.19501	1.6
219.06534	1.2
220.07245	5.2
221.08162	1.1
232.09544	1.0
235.09621	100.0
235.13307	3.5
235.16911	5.9
236.09892	1.5
253.05022	1.0
253.08501	5.3
253.10710	16.2
253.13808	4.5
253.15855	0.9
253.18172	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	253.1067
Annotation	Dihydrocitrinin
Peak:m/z	Relative Intensity
53.03933	0.7
55.05497	2.8
57.06809	1.1
57.07066	16.7
67.05485	2.5
68.99786	1.4
69.03405	2.9
69.07040	2.1
69.64225	5.8
69.64629	1.1
71.04984	1.4
73.06583	0.9
77.03915	0.7
79.05466	1.8
81.07050	4.3
83.08619	1.4
85.06512	1.2
91.05465	2.4
93.07018	2.3
95.04946	3.4
95.08607	3.8
97.06474	1.0
98.98452	53.5
99.08101	1.1
105.07020	2.9
107.04939	3.2
107.08560	2.9
109.02842	0.9
109.06515	1.0
109.10117	1.2
115.05429	2.1
116.99500	2.1
117.06992	1.4
119.08568	2.8
121.06467	2.3
121.10129	2.2
123.04415	3.9
123.11672	1.0
125.09591	1.4
133.10098	2.1
135.04422	1.1
135.08003	1.0
135.11726	0.8
137.02307	0.9
137.05931	1.0
139.07515	0.7
143.08543	0.8
145.10127	1.3
147.07973	3.1
147.11722	1.8
149.05969	11.5
151.03876	8.1
151.07619	0.8
159.11673	0.8
161.02386	0.8
161.05888	0.9
161.09628	0.9
162.06778	1.1
162.10857	0.7
163.07532	2.1
163.11125	1.2
165.01828	0.8
165.05443	2.9
175.07492	3.0
176.08276	1.2
176.98837	0.9
177.12790	1.4
178.48201	0.9
179.03372	100.0
181.08586	0.8
182.37312	0.8
189.09082	2.3
191.10646	37.6
192.10927	1.0
193.04948	2.2
197.05864	1.2
207.10118	11.3
209.11765	1.1
225.05475	1.4
235.09621	32.8
235.13107	1.8
235.16934	2.8
235.62581	1.2
236.10155	0.9
236.12344	1.0
253.04874	3.0
253.10551	1.7
253.13834	1.7
253.18062	2.5
253.63690	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	253.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76419	0.3
55.01865	0.6
55.05504	1.1
57.03423	0.6
57.07068	67.0
67.01870	1.5
67.05508	1.1
68.99773	0.7
69.03413	1.2
69.07058	1.9
70.16758	0.5
70.17166	1.3
71.04992	0.5
79.05498	0.7
81.03431	0.7
81.07048	3.3
83.04945	0.5
83.08606	0.6
85.02866	0.3
85.06533	12.5
86.41316	0.4
87.04472	0.3
91.05464	0.7
91.18937	0.3
93.07039	1.1
94.84103	0.3
95.04964	0.6
95.08604	1.8
95.61109	0.3
97.02897	0.6
98.98455	9.5
99.04458	0.5
99.08083	0.5
105.07043	1.6
106.63569	0.3
107.08602	1.0
109.02859	0.6
109.06512	0.8
109.10125	1.1
109.39467	0.3
111.08043	0.5
113.05981	0.3
113.09694	0.4
119.08561	1.4
121.10133	1.3
125.09640	0.4
127.03903	44.2
127.07542	11.4
128.04260	0.5
129.05435	0.5
131.08562	0.3
133.10106	0.7
135.11694	0.6
137.13229	0.5
147.11726	0.6
149.13249	0.4
151.03886	2.3
153.01811	100.0
154.02139	0.8
157.10062	0.5
161.13235	1.3
169.04939	7.7
171.02875	0.9
174.99243	0.5
176.98810	0.4
179.03424	0.4
189.12679	0.3
189.16359	0.5
199.14821	0.5
217.15848	1.0
219.18729	0.3
235.09637	1.2
235.13283	0.4
235.16997	1.7
253.10686	20.6
253.17992	0.8
254.10959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1068
Annotation	Pyrenochaetic acid B
Peak:m/z	Relative Intensity
53.03940	0.5
55.01858	1.0
55.05505	3.0
57.03428	1.7
57.07067	3.6
65.03924	0.6
67.05492	4.8
68.99792	1.2
69.03409	0.8
69.07051	1.3
70.28745	1.6
71.01340	0.4
71.04981	1.8
79.05476	3.1
81.03401	1.0
81.07044	3.9
83.01319	0.3
83.04967	1.4
85.02890	7.6
85.06529	5.3
91.05473	4.7
93.07034	1.9
95.04947	1.6
95.08580	1.7
96.08113	0.3
97.02911	0.3
97.06514	0.8
97.10169	0.3
98.97797	0.6
98.98452	12.8
99.04452	0.3
99.08083	0.7
105.07014	3.4
107.04919	1.3
107.08576	1.2
109.02867	2.3
109.06506	4.1
109.10123	1.7
111.04438	0.7
111.08090	0.4
113.05994	1.0
115.05450	0.6
117.06989	1.4
119.04945	1.9
119.08578	2.1
121.06499	0.9
121.10145	1.1
123.04409	3.5
123.08067	1.4
123.11666	0.6
125.02284	0.3
125.09678	0.4
127.03914	1.8
127.07510	0.8
128.06226	2.4
129.06990	0.5
131.04974	0.3
131.08542	1.5
132.05624	0.3
133.02812	0.5
133.06459	2.5
133.10100	1.8
134.03606	0.6
135.04393	2.4
135.08020	0.8
135.11647	0.6
137.02361	0.4
137.05934	1.7
137.09622	0.6
139.03860	0.6
141.05457	2.4
141.07047	0.4
143.08522	3.5
145.06471	2.4
145.10052	0.6
146.07245	0.8
147.04385	41.7
147.08014	5.1
147.11664	0.9
148.04767	0.6
149.02278	0.4
149.05991	0.9
149.09557	0.8
149.13234	0.4
150.03087	1.3
151.03886	3.6
151.07484	0.9
151.11069	0.3
152.06258	0.4
153.01810	0.8
153.05423	0.6
157.06361	0.4
157.10118	0.5
159.08099	0.4
160.05164	0.9
161.02364	0.3
161.05963	5.0
161.09604	5.2
161.13239	0.4
163.03937	1.8
163.07497	1.8
165.05450	7.0
165.09105	1.0
167.03378	9.6
169.04877	0.6
171.04265	0.5
171.08012	4.5
171.11546	0.4
173.05978	2.7
174.06766	1.5
174.99222	0.4
175.03918	4.5
175.07527	5.6
175.14708	0.5
176.98885	0.5
177.05423	4.3
179.03383	1.2
179.07039	1.4
179.10637	0.4
181.04930	0.9
181.10130	0.4
183.02885	1.0
184.05182	1.1
188.04669	2.3
189.05476	1.3
189.09081	21.4
189.16322	0.4
191.07010	3.4
192.07779	1.5
193.04951	1.7
193.08559	1.3
193.15829	0.3
197.04424	1.2
199.07500	4.3
202.06274	0.4
205.15915	0.4
206.05739	0.8
207.06488	0.8
207.10139	3.4
217.08568	33.1
217.12054	0.8
217.15755	0.6
218.08919	0.4
235.09615	100.0
236.09956	1.7
253.05003	1.1
253.10678	54.8
253.18019	1.2
254.11005	1.0
271.67087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1067
Annotation	3-O-Acetylniduloic acid
Peak:m/z	Relative Intensity
53.03946	1.3
53.58562	0.3
55.01863	5.5
55.05500	13.4
57.03428	4.0
57.07064	69.6
58.51374	0.3
65.03933	0.6
67.01856	0.6
67.05499	4.0
68.99784	1.8
69.03415	2.0
69.07052	2.4
71.04980	7.0
71.80504	0.6
79.05482	6.7
81.03394	3.1
81.07042	15.6
83.01339	2.3
83.04965	47.4
85.02888	1.1
85.06525	11.0
91.05465	10.0
91.06032	0.4
93.07034	5.0
95.04952	2.9
95.08594	4.3
97.02881	1.5
97.06514	0.6
98.98447	23.9
99.04438	25.9
99.08077	0.9
100.98904	0.5
101.02336	0.4
103.05456	0.6
105.03365	0.5
105.07009	7.9
107.04919	3.8
107.08569	6.2
109.02858	10.2
109.06499	16.7
109.10130	2.7
111.04408	2.3
111.08072	0.4
115.05441	1.1
116.06178	0.6
116.99504	0.9
117.06975	2.1
119.04923	1.0
119.08559	11.7
121.02868	0.5
121.06480	5.0
121.10102	1.2
123.04414	9.8
123.08047	38.2
124.08377	0.7
124.40327	0.3
125.02350	3.5
125.05963	1.1
127.03904	7.9
127.07527	11.8
128.06190	4.4
129.05443	0.5
129.06976	3.7
131.04866	0.7
131.08545	1.2
132.05685	0.9
133.06458	1.8
133.10103	4.1
135.04390	19.2
135.08028	8.7
137.02304	3.4
137.05951	7.1
137.09581	6.9
139.03873	1.7
141.05365	0.5
143.08531	5.1
145.04939	0.6
145.06444	2.1
146.07249	1.5
147.04382	1.5
147.08015	14.5
149.04893	0.4
149.05899	2.5
149.09624	0.7
151.03882	10.6
151.07520	5.3
151.11151	1.2
153.05435	1.6
155.03351	1.2
155.07025	0.5
155.08510	0.5
157.06477	1.0
160.05209	0.5
161.05940	1.0
161.09593	6.2
163.03870	1.3
163.07513	8.9
164.08308	3.6
165.05443	0.8
165.09085	28.5
167.03401	1.9
167.07030	0.5
167.08466	0.8
169.04935	22.6
169.10133	1.0
171.06485	2.2
171.08005	2.8
173.05885	0.4
174.06721	1.2
174.99232	0.5
175.04089	0.8
175.07521	20.1
176.98969	0.6
177.05385	2.2
178.28537	0.4
179.03377	1.6
179.07031	1.1
179.10614	3.4
181.04936	1.4
181.28459	0.4
182.10812	0.5
183.10202	3.5
183.11591	0.8
189.09082	22.2
191.06989	1.1
192.07735	0.7
192.09351	0.4
193.08572	31.9
197.04420	0.5
197.11639	0.4
197.13367	0.8
198.65511	0.4
199.07497	3.7
206.05728	0.7
207.10127	11.0
209.13165	0.5
211.09608	10.2
211.11053	0.4
217.08562	47.0
218.08890	0.4
225.11125	0.7
235.09607	89.9
236.09917	1.1
253.10640	100.0
253.16064	2.1
253.19427	1.5
254.10974	0.6
273.15979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05497	2.8
57.06809	1.1
57.07066	16.7
67.05485	2.5
68.99786	1.4
69.03405	2.9
69.07040	2.1
69.64225	5.8
69.64629	1.1
71.04984	1.4
73.06583	0.9
77.03915	0.7
79.05466	1.8
81.07050	4.3
83.08619	1.4
85.06512	1.2
91.05465	2.4
93.07018	2.3
95.04946	3.4
95.08607	3.8
97.06474	1.0
98.98452	53.5
99.08101	1.1
105.07020	2.9
107.04939	3.2
107.08560	2.9
109.02842	0.9
109.06515	1.0
109.10117	1.2
115.05429	2.1
116.99500	2.1
117.06992	1.4
119.08568	2.8
121.06467	2.3
121.10129	2.2
123.04415	3.9
123.11672	1.0
125.09591	1.4
133.10098	2.1
135.04422	1.1
135.08003	1.0
135.11726	0.8
137.02307	0.9
137.05931	1.0
139.07515	0.7
143.08543	0.8
145.10127	1.3
147.07973	3.1
147.11722	1.8
149.05969	11.5
151.03876	8.1
151.07619	0.8
159.11673	0.8
161.02386	0.8
161.05888	0.9
161.09628	0.9
162.06778	1.1
162.10857	0.7
163.07532	2.1
163.11125	1.2
165.01828	0.8
165.05443	2.9
175.07492	3.0
176.08276	1.2
176.98837	0.9
177.12790	1.4
178.48201	0.9
179.03372	100.0
181.08586	0.8
182.37312	0.8
189.09082	2.3
191.10646	37.6
192.10927	1.0
193.04948	2.2
197.05864	1.2
207.10118	11.3
209.11765	1.1
225.05475	1.4
235.09621	32.8
235.13107	1.8
235.16934	2.8
235.62581	1.2
236.10155	0.9
236.12344	1.0
253.04874	3.0
253.10551	1.7
253.13834	1.7
253.18062	2.5
253.63690	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	252.1227
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
55.05496	1.7
56.05028	7.6
56.96545	2.5
67.05497	1.5
69.03436	0.8
69.07063	0.6
69.87341	4.0
70.06572	1.8
74.02429	7.1
79.05463	1.7
81.07039	4.3
82.06571	5.6
83.04955	0.9
84.08125	1.5
85.02923	1.0
86.09706	0.9
88.03987	1.0
88.80758	0.6
91.05468	1.8
93.07032	0.7
94.03978	0.5
97.06590	0.5
98.98454	25.3
105.06998	1.0
107.04917	0.7
107.08576	1.5
108.04482	0.9
109.02901	0.8
109.06487	2.3
111.04445	1.1
116.07085	0.6
116.99507	1.3
117.06987	3.3
119.03546	0.9
119.08565	0.8
119.46031	0.5
120.08118	0.8
121.06509	2.9
122.06006	0.7
123.06779	3.6
124.07581	11.2
125.05962	1.4
128.07089	3.0
133.10182	0.7
134.04362	0.8
135.08040	5.0
136.06165	81.1
137.05956	48.0
138.06248	0.8
145.06488	2.0
145.10085	2.6
146.09653	0.7
147.04395	0.9
147.08012	1.6
149.05969	2.1
151.07558	0.8
155.08507	0.8
158.07236	2.4
161.05983	1.6
161.09622	3.4
163.07523	26.3
164.10725	1.6
171.08014	0.8
173.09607	9.1
174.96860	0.8
174.99220	1.2
179.10579	1.2
185.04791	2.1
188.10602	1.1
189.09073	7.3
190.12201	3.9
191.10614	3.5
199.07524	0.8
203.05905	3.3
205.98877	0.6
206.11739	35.3
217.08614	1.2
221.07031	0.6
229.03859	4.0
234.11162	1.1
234.13121	10.7
234.15361	1.8
235.09660	2.0
247.04860	1.9
252.12260	100.0
252.14600	39.2
253.12512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1089
Annotation	deoxyadenosine
Peak:m/z	Relative Intensity
53.03926	0.3
55.01871	0.5
55.05502	0.3
56.96551	1.7
57.03428	0.6
67.05527	0.3
69.03409	1.1
69.07036	0.3
70.06581	0.5
71.04970	1.2
71.79683	0.4
72.08158	0.4
73.02897	1.2
73.06535	1.2
74.02428	0.4
74.97594	0.2
79.05486	0.3
80.05006	0.2
81.03404	0.9
81.07043	0.4
82.06591	0.3
84.04490	0.3
84.08141	0.8
84.95976	0.2
85.02898	1.9
85.06506	0.2
86.09679	0.4
88.03980	0.6
91.05472	0.7
94.04041	0.3
94.06541	0.8
95.04964	0.3
97.02895	1.0
98.06059	0.3
98.97592	0.6
98.98455	15.1
99.04455	1.4
105.07028	0.3
107.04935	0.3
108.04496	0.3
109.02829	0.3
110.07146	0.3
111.04427	0.2
111.05572	1.1
112.07638	0.2
114.45493	0.2
116.98617	0.5
116.99502	0.5
117.05486	2.5
119.03548	0.7
119.04886	0.5
121.02865	0.4
122.06016	0.9
123.04445	0.3
123.04597	0.3
123.05539	1.8
123.06808	1.7
124.07574	0.8
127.03883	0.5
128.98618	0.3
129.10277	0.4
134.05997	0.3
134.99654	0.5
136.06169	100.0
136.70866	0.2
137.04562	0.5
137.05676	0.2
140.01091	0.2
140.07037	0.5
143.00145	0.2
146.05962	0.3
146.99641	0.4
147.04387	1.5
150.05423	0.2
152.04292	0.2
153.01846	0.3
158.99687	0.3
160.07576	0.4
161.01233	0.5
161.05951	0.4
163.03902	0.4
163.97723	0.7
172.95137	0.3
174.99179	0.4
176.99049	0.3
177.00656	0.3
178.08653	0.3
179.11777	4.0
180.03557	0.2
181.98856	0.3
184.02776	0.2
185.01167	0.3
186.96823	1.0
186.99129	0.5
189.00658	0.4
193.08455	0.2
204.97809	0.8
205.98759	1.5
206.08124	2.1
206.15387	0.6
210.00742	0.2
212.55536	0.2
219.01601	0.3
225.00650	0.2
229.00323	0.9
229.07751	0.2
234.07628	2.0
234.14867	3.7
241.03481	0.2
246.98860	0.3
250.04271	0.3
252.08591	1.2
252.10876	3.2
252.15912	7.1
252.23154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
67.05473	0.6
69.07038	0.5
70.02935	0.7
70.06603	0.4
71.77001	0.3
71.77411	0.4
73.96214	0.4
79.05498	0.9
81.07072	0.4
84.08118	0.7
85.02877	0.6
86.09690	0.4
87.00813	2.9
88.82845	0.4
91.05476	1.5
93.07037	1.7
94.06554	0.6
98.98457	15.1
101.05981	0.4
103.05453	6.2
104.03426	1.2
105.07014	0.7
106.06521	0.9
106.07310	0.4
107.04940	1.8
107.08589	0.4
108.04508	0.5
114.05531	0.5
116.99474	0.5
118.06531	8.8
118.07327	0.8
120.08087	100.0
121.08414	0.7
122.06010	0.4
123.06803	2.2
128.04918	0.8
131.04904	1.0
136.06169	9.0
136.07600	0.5
145.06444	0.4
146.05986	17.7
148.07555	0.5
149.05989	0.6
164.07045	1.0
166.08636	2.1
174.99159	0.4
188.07043	17.8
192.06555	1.7
206.08095	74.6
206.15395	1.0
206.74023	0.4
207.08395	1.5
216.06459	0.5
234.07663	2.0
234.15001	5.4
252.08769	2.0
252.14249	2.5
252.15936	5.4
252.19662	1.0
252.23088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12261	0.4
55.05507	0.9
57.33454	0.3
70.64401	1.2
77.54961	0.4
79.05451	0.8
81.07011	0.4
84.08079	0.4
86.09707	0.6
87.00826	2.5
91.05484	1.6
93.07020	1.7
98.20701	0.4
98.98451	15.1
103.05448	5.8
103.74413	0.4
104.03462	0.8
106.06558	0.8
107.04932	1.6
108.66644	0.4
116.99485	0.4
117.06999	0.5
118.06525	9.2
120.08084	100.0
121.08417	1.5
123.06801	0.8
128.04953	1.2
131.04890	1.0
136.06160	6.8
145.06494	0.6
146.05989	18.1
147.06259	0.6
164.07066	0.7
166.08601	2.5
179.06995	0.5
188.07040	17.4
192.06572	1.3
206.08092	71.5
207.08435	1.2
234.07581	2.4
234.14954	1.4
252.08664	1.6
252.14044	2.2
252.16095	1.4
252.23207	0.6
267.95270	0.4
271.99527	0.4
272.05435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03934	1.9
55.01847	2.8
55.05505	9.0
56.96558	1.6
57.07061	7.0
59.04988	6.4
67.05499	11.0
69.03424	8.3
69.07072	7.7
69.24744	1.4
70.08492	2.8
70.08895	7.0
71.01341	1.7
71.04615	2.6
71.04987	39.7
79.05484	10.2
81.07043	15.6
83.04975	9.2
83.08617	9.7
85.06523	7.8
91.05479	12.4
93.07040	13.7
95.04961	15.6
95.08602	18.4
97.06542	10.7
98.98458	100.0
99.04434	3.1
99.08092	2.0
101.33691	1.3
105.07025	18.1
107.04926	4.8
107.08572	19.4
109.06520	8.6
109.10130	13.1
111.08076	7.5
113.05978	9.5
113.09621	2.3
116.99516	3.3
117.07008	5.6
119.08563	27.2
121.06484	6.3
121.10138	31.8
123.08041	13.4
123.11691	4.8
125.05956	15.0
125.09582	2.4
127.07554	2.1
130.07767	2.4
130.11234	1.3
131.08531	11.2
133.06433	2.3
133.10143	10.1
135.08022	6.9
135.11659	6.7
137.09608	31.6
143.08537	2.7
145.06483	1.7
145.10097	22.4
147.08035	50.0
147.11655	10.5
149.09605	11.6
149.13312	2.6
151.07533	5.8
151.11116	4.0
151.14767	2.4
153.09129	2.4
155.10611	3.0
157.10098	2.0
159.11694	4.7
161.05963	1.6
161.09583	1.9
161.13235	3.2
163.11163	42.2
163.14807	3.7
165.09074	2.3
167.10736	2.1
169.08643	2.2
173.05927	1.4
173.09592	3.4
173.13197	7.9
174.99182	4.7
175.11140	11.3
177.09042	3.2
177.16148	1.6
178.83098	1.2
179.14301	14.4
181.12192	8.4
187.14839	7.9
189.12701	2.9
191.06952	1.8
191.10698	2.1
191.14281	17.1
193.12201	4.9
195.10188	3.1
197.13191	2.9
205.12149	1.6
205.15907	6.1
207.06645	1.6
207.13773	6.0
209.08157	1.6
215.14319	9.9
233.08041	1.6
233.15346	54.4
233.18866	2.3
234.15352	1.3
251.16394	73.9
251.20016	2.7
252.16273	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01851	8.1
55.05495	11.0
56.96566	3.3
57.03428	28.6
57.07057	3.5
59.04992	25.8
65.03922	5.3
67.05499	25.4
69.03421	32.0
69.07043	3.3
70.01744	14.9
71.04983	2.6
73.02913	2.9
75.04469	11.3
78.82478	2.2
79.05469	12.0
81.03386	3.0
81.07066	5.4
83.04972	74.4
85.02893	27.6
88.07623	22.7
90.16027	2.3
91.05457	11.0
93.03401	7.6
93.07037	7.8
93.69312	2.2
95.04946	10.4
95.08571	2.8
97.06518	58.4
97.91756	2.3
98.97637	2.7
101.06008	26.5
105.07064	2.6
109.02925	2.5
111.04431	100.0
115.07538	2.2
119.03500	3.4
119.04934	53.5
119.05730	4.7
121.02869	7.1
121.06490	8.6
125.05968	67.8
127.03905	5.7
129.05479	29.8
137.05922	3.8
143.00177	2.8
143.07013	80.4
149.05977	13.1
159.06529	21.1
161.01237	3.0
163.03973	2.4
163.07611	4.7
167.07036	49.8
185.08093	9.3
189.09013	3.0
199.09644	27.3
203.06999	2.6
207.13969	2.2
217.10724	14.9
231.06551	4.4
231.10225	2.6
249.11191	5.3
249.14873	2.4
249.19072	2.5
267.03970	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	251.1638
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03918	0.9
55.05503	5.9
57.03415	0.8
57.07056	1.7
57.70559	0.5
59.04984	1.5
67.05498	5.7
69.03410	1.6
69.07056	10.3
70.71321	2.6
71.04979	2.5
78.02346	0.7
79.05479	6.5
81.03399	0.7
81.07046	9.6
83.04975	10.9
83.08609	1.2
83.22324	0.6
91.05458	7.3
93.07032	23.6
94.07345	0.6
95.04935	3.8
95.08587	8.3
97.06513	2.6
97.10129	1.0
98.98451	83.0
99.04433	1.4
103.05444	1.1
105.07014	7.5
107.04954	1.1
107.08574	7.1
109.06514	3.2
109.10123	3.7
111.04423	11.7
111.08040	1.4
111.11682	3.1
115.05465	0.9
116.99497	3.1
117.07003	2.1
119.08588	3.3
121.06509	3.3
121.10124	37.3
123.08040	3.9
123.11668	0.8
125.05978	1.4
125.09628	1.6
128.06276	0.7
129.06956	0.9
131.08531	3.1
133.06499	0.9
133.10107	2.3
135.08031	3.0
135.11671	2.0
137.09605	1.7
139.03882	0.8
139.11177	3.1
145.06476	0.8
145.10077	4.3
147.08128	1.4
147.11589	1.7
149.09593	15.0
151.07497	1.2
159.08060	1.3
159.11636	2.4
161.05969	0.8
161.09616	0.8
163.07527	1.1
163.11140	1.9
167.10657	100.0
168.11017	1.9
169.10127	0.8
173.09639	1.8
173.13242	1.2
174.99187	4.7
175.11145	1.0
177.09189	1.6
177.12732	1.3
181.08502	1.2
187.07578	1.0
187.11160	1.9
187.14766	1.0
191.06999	1.1
191.10750	1.6
191.14252	1.2
193.08586	1.5
205.08617	1.6
205.12254	1.6
205.15816	1.1
205.98796	0.8
215.10701	1.7
215.14316	1.8
215.17812	0.9
221.07988	1.2
229.00450	0.7
233.08069	1.6
233.11687	2.7
233.15347	3.8
234.15099	0.7
251.06915	1.0
251.08905	1.3
251.12704	1.6
251.16370	16.3
251.20045	2.6
252.12260	1.3
252.16080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.25867	0.4
54.09136	0.4
55.01860	0.9
57.03416	0.7
57.07053	0.9
57.86267	0.4
59.04978	2.1
64.77537	0.4
67.05479	1.3
69.03424	0.7
69.07045	1.0
70.01118	3.0
79.05462	1.4
81.07027	1.6
85.06537	0.7
91.05467	5.6
93.07016	1.5
95.04939	1.4
95.08575	1.3
103.05465	0.6
105.07008	3.6
107.04925	1.9
107.08595	0.6
109.06505	0.8
109.10133	0.7
115.05441	4.1
116.06219	2.0
117.06277	0.5
117.06981	3.0
119.04898	0.7
119.08543	0.9
121.06447	0.8
121.10112	1.3
123.04420	3.9
128.06207	7.2
129.06996	16.0
130.07784	1.2
131.04903	1.7
131.08551	13.6
132.05704	1.1
133.06485	2.7
133.10156	2.3
135.11662	0.5
137.05962	0.8
141.06975	6.3
142.07736	2.8
143.08546	2.5
144.05679	6.5
145.06482	4.3
146.07257	2.8
147.04358	0.9
147.07997	1.5
147.11661	0.7
152.06154	0.9
153.05588	0.9
153.06952	2.0
155.05981	1.0
156.05627	0.8
157.06474	8.4
157.10028	0.6
158.07185	1.4
159.04457	0.6
159.08035	22.2
160.05185	0.6
160.08421	0.5
161.05954	2.3
161.09595	6.8
163.07527	0.5
167.07021	1.3
167.08530	0.6
169.06403	1.1
169.07610	1.5
170.07254	6.6
171.04401	0.9
171.08032	5.4
171.11722	0.9
172.05145	3.3
173.05995	3.0
173.49004	0.5
174.06770	2.5
174.66508	0.5
175.07556	2.8
178.06352	0.9
179.06958	0.5
185.05946	1.3
186.06786	0.9
187.07521	13.6
187.99438	0.7
188.04778	0.6
188.08200	1.0
189.05476	2.5
189.09056	7.1
190.06201	1.0
192.07744	0.7
198.06711	1.2
199.07466	2.3
201.05336	1.5
203.07001	5.4
203.10602	0.5
203.14305	0.7
204.07802	9.9
205.08510	1.7
205.74803	0.5
206.09305	0.8
213.12511	0.5
216.07715	3.5
217.08508	0.9
218.09380	0.8
219.10104	1.2
221.08041	1.2
221.11632	3.0
231.06476	0.9
231.10120	6.1
231.13779	1.5
231.17374	0.7
234.08733	0.6
249.11188	100.0
249.14694	2.9
249.18349	1.7
250.11676	3.1
250.13910	0.6
260.86813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
55.05490	0.4
57.07059	0.5
59.04984	0.9
63.69016	0.2
65.17657	0.2
67.05479	0.9
69.03402	0.2
69.07056	0.7
71.04965	0.2
77.51000	0.2
79.05463	0.9
81.07017	0.9
83.01323	0.3
83.04961	0.3
83.08585	0.3
84.46882	0.2
85.02885	0.2
85.06532	0.7
91.05463	0.7
93.07034	1.0
95.04932	0.4
95.08581	1.4
103.05436	0.2
105.07016	0.8
107.08578	0.8
109.06501	0.4
109.10157	0.4
119.08554	1.0
121.06538	0.3
121.10113	0.6
123.04428	0.3
123.08030	0.7
123.11739	0.2
129.06996	0.3
131.08516	0.2
133.10083	0.7
135.08081	0.3
135.11656	0.4
137.05989	0.3
143.08498	0.5
143.12555	0.2
145.10060	0.3
146.07233	0.3
147.04327	0.2
147.07982	0.5
147.11664	0.6
149.09578	0.2
151.07516	0.2
157.10101	0.5
161.05949	0.3
161.09630	0.6
161.13347	0.3
163.07440	0.3
165.09026	0.3
167.03407	0.4
170.07423	0.2
170.31812	0.2
175.07527	0.8
175.11156	0.4
177.05479	0.3
179.03316	0.2
179.08447	0.2
189.09082	0.9
189.12793	0.3
191.10847	0.2
192.04146	0.5
193.04944	0.8
203.06947	0.4
203.10440	0.3
203.14270	0.6
207.06483	0.3
207.10185	0.3
213.12639	0.3
219.06488	24.1
220.07263	23.5
221.07813	0.7
231.06400	0.3
231.10146	0.8
231.13681	2.0
231.17311	0.3
234.08749	0.5
249.11172	100.0
250.11514	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.12661	0.4
51.99097	0.4
53.03934	0.9
54.95823	0.4
55.01853	1.0
55.05494	0.7
55.19978	0.4
57.03420	1.5
57.07047	0.7
59.04979	1.4
59.92228	0.5
67.05492	2.1
69.03416	3.8
69.07048	0.8
70.06578	1.4
71.04973	1.2
71.81158	0.7
73.02905	0.7
79.05473	1.7
81.03398	2.0
81.07041	2.9
83.04961	1.3
85.02893	3.8
85.06557	0.6
87.00817	1.6
91.05467	7.0
93.07025	1.9
95.04941	1.5
95.08602	1.6
97.02876	1.9
97.06504	1.4
99.04436	1.4
102.03664	0.5
103.05464	1.0
105.01839	0.9
105.03392	0.8
105.07022	4.2
107.04926	2.1
107.08575	1.5
109.02866	1.6
109.06533	0.7
111.04406	0.9
115.05449	4.2
116.06212	1.9
116.06994	0.6
117.07015	2.7
119.04922	1.1
119.08556	1.5
121.06468	1.1
121.10143	1.2
121.12163	0.5
123.04415	6.2
123.08060	0.6
125.05983	0.6
127.03887	2.2
128.06207	6.0
129.06987	15.9
130.07768	1.0
131.04892	2.2
131.08549	14.3
132.05685	1.1
133.06499	3.2
133.10115	2.0
135.08032	0.6
135.11655	0.7
139.11076	0.4
141.06964	7.8
142.07787	3.3
143.04892	1.6
143.08531	4.3
144.04642	0.7
144.05695	7.3
145.06467	5.1
145.10110	1.0
146.07217	2.7
147.04372	2.5
147.07994	1.2
147.11693	0.9
149.05833	0.6
149.13217	0.9
151.07527	0.6
152.05946	0.8
153.05630	0.4
153.06952	1.9
155.05997	1.0
156.05687	1.1
157.06488	7.8
157.10098	1.2
158.07242	1.9
159.08035	24.1
159.11694	0.6
160.05164	1.4
161.05956	6.9
161.09599	6.9
163.07610	0.7
165.05473	0.8
167.07025	0.7
167.14262	0.9
169.05093	0.5
169.06421	1.5
169.07591	2.0
170.07269	7.1
171.04399	1.0
171.08043	6.4
172.05199	3.2
173.05942	3.5
173.09584	0.8
174.06754	1.4
175.07544	3.4
175.11183	0.7
177.05487	1.0
177.12753	0.7
178.06319	1.0
179.07001	0.9
184.05217	0.7
185.05978	1.2
185.09569	1.1
186.06763	0.5
187.07523	14.6
188.08151	1.0
189.05460	4.2
189.09088	7.6
189.12660	0.5
190.06105	0.8
191.06993	1.4
193.08679	1.0
195.13739	3.1
198.06761	1.6
199.07521	2.7
201.05440	1.4
203.03340	0.9
203.06985	5.3
203.10576	1.6
203.15448	0.8
204.07825	10.1
205.04919	1.0
205.08536	2.3
206.09349	0.8
207.06490	5.3
213.09085	0.6
213.13005	0.5
213.14842	1.7
216.07822	3.1
217.08624	0.9
218.09468	0.5
219.06589	0.6
219.10109	1.5
220.07320	0.5
221.08110	1.2
221.11604	2.1
222.26756	0.4
231.03020	0.6
231.06636	1.0
231.10124	6.3
231.15196	0.4
234.08904	1.3
249.03995	1.4
249.11195	100.0
250.11287	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03941	0.4
55.01849	0.7
55.05499	0.8
57.03415	0.4
59.04987	1.0
67.05491	1.9
68.99768	0.9
69.03403	1.1
69.07049	0.6
69.94762	2.2
76.07608	0.3
79.05480	1.8
81.03402	0.4
81.07046	2.0
81.28909	0.3
83.04945	0.7
85.02886	0.6
85.66496	0.3
91.05469	7.9
93.07054	1.6
95.04952	1.4
95.08595	2.5
97.02872	0.9
97.06501	1.5
97.73278	0.3
98.97556	0.5
103.05416	0.8
105.07014	3.6
107.04948	1.8
107.08559	1.1
109.06493	0.6
109.10121	0.5
111.00790	1.1
111.04395	0.5
115.05443	3.6
116.06217	2.7
116.98663	0.4
117.06988	3.3
119.04906	0.4
119.08568	7.6
121.06498	1.2
121.10141	0.6
123.04418	0.9
123.08060	4.7
125.05962	0.4
128.06207	6.3
129.06985	15.5
130.07747	0.5
131.04890	2.1
131.08543	13.8
132.05687	0.8
133.06453	2.1
133.10095	1.6
135.08005	0.4
135.11693	0.5
137.05887	0.4
137.09587	4.0
139.03893	2.3
141.06963	7.0
142.07750	3.2
143.04916	0.6
143.08530	3.4
144.05675	7.2
145.06477	4.0
145.10107	0.8
146.07233	3.0
147.04402	1.1
147.08018	2.1
147.11656	0.6
149.05963	0.7
151.03888	0.9
152.06154	1.1
153.05573	1.8
153.06815	1.6
153.09166	0.4
155.04939	0.4
155.06071	0.7
156.05652	1.5
157.06461	7.4
157.10115	0.6
158.07210	1.5
159.08026	22.3
160.05199	0.9
160.08453	0.4
161.05940	4.1
161.09607	6.3
163.03908	0.5
165.05444	1.2
165.09084	3.7
167.07019	1.0
167.08467	0.4
169.05229	0.3
169.06467	1.2
169.07602	1.4
170.07233	6.3
171.04356	0.5
171.08025	5.6
172.05150	2.6
173.05939	2.6
173.09821	0.4
174.06746	1.8
175.07512	3.2
175.11255	0.4
176.04683	0.3
177.05455	0.3
178.06235	0.7
179.10710	0.4
184.04979	0.5
185.05933	0.8
185.09625	0.5
186.06706	0.9
187.07520	15.2
188.08229	1.1
189.05464	2.4
189.09071	7.7
190.06206	0.9
191.07011	1.0
193.04939	0.4
193.08556	0.7
198.06770	1.9
199.07446	2.2
200.08247	0.5
201.05466	1.3
203.07016	5.5
203.10597	1.1
203.14258	0.5
204.07782	10.7
205.08571	3.1
206.09319	0.9
207.10089	1.9
213.08994	0.9
216.07785	3.1
217.08615	0.9
218.09415	1.0
219.10080	1.4
221.08005	0.5
221.11679	2.7
231.06625	0.6
231.10139	6.8
234.08763	0.5
249.11185	100.0
250.11629	2.1
260.33316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.72739	0.5
57.03425	0.8
69.03416	1.1
70.73847	1.2
70.74191	0.8
83.74928	0.5
91.05465	6.3
97.02879	0.8
103.05476	0.6
104.47553	0.5
105.07013	3.0
107.04932	1.8
115.05433	3.5
116.06211	2.3
117.06992	1.9
119.04966	0.6
119.76561	0.5
121.06448	0.5
122.04176	0.5
128.06209	6.6
129.06989	15.2
130.07813	0.5
131.04890	1.4
131.08543	14.2
132.05696	0.6
133.06441	1.7
133.10123	1.1
141.06982	6.3
142.07755	3.6
143.04878	0.7
143.08575	2.8
144.05682	7.9
145.06479	4.9
146.07243	1.9
147.04405	1.1
147.07986	0.9
152.06133	0.7
153.06973	1.9
154.57777	0.6
155.04845	0.7
155.06035	0.8
156.05685	1.6
157.06454	8.1
158.07239	2.0
159.08040	22.8
159.09349	1.1
160.05173	1.3
160.08453	0.6
161.05956	3.4
161.09598	5.8
167.07031	1.2
169.06387	1.4
169.07620	2.2
170.07249	7.0
171.04391	1.3
171.08035	4.4
172.05183	2.5
173.05997	3.3
174.06696	2.3
175.07500	2.3
178.06242	1.0
181.06425	0.7
185.05934	0.8
187.07538	15.0
188.08177	1.0
189.05469	2.7
189.09093	8.6
190.06158	0.6
191.07001	0.8
194.30914	0.6
198.06683	1.6
199.07504	2.7
201.05449	1.7
203.07010	6.3
203.10716	0.9
204.07813	9.9
205.08521	1.2
206.09280	0.9
216.07771	3.2
218.09381	1.6
219.10132	1.5
221.08017	0.9
221.11655	2.0
231.06607	0.6
231.10127	6.0
234.08852	0.8
249.11192	100.0
250.11517	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	249.1117
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
69.03401	1.8
70.89721	1.6
79.05494	1.0
81.07037	1.3
83.04958	0.5
85.02868	0.7
91.05468	5.2
93.07034	0.9
95.04930	0.8
95.08598	0.6
103.05473	0.8
103.90255	0.6
105.03371	1.3
105.07009	5.7
107.04926	1.9
107.08627	0.7
109.82890	0.5
115.05442	4.2
116.06236	2.9
117.07036	2.8
119.04894	1.2
119.08547	1.4
120.96999	0.6
121.06451	1.2
128.06194	7.1
129.07001	15.3
130.07819	0.7
131.04892	1.9
131.08543	14.3
132.05713	0.9
133.06487	3.0
133.10129	1.6
141.06950	6.4
142.07773	3.8
143.08525	3.9
144.05696	6.5
145.06480	4.5
145.10127	0.5
146.07272	2.8
147.04355	1.6
147.08014	1.1
147.11656	0.9
153.01787	2.6
153.06982	1.7
155.05981	0.9
156.05653	1.4
157.06480	7.5
157.10115	1.9
158.07228	1.8
159.08038	22.7
160.05161	1.0
161.05963	3.4
161.09608	5.9
167.07025	0.8
169.06438	1.3
169.07648	1.5
170.07253	6.6
171.04822	1.0
171.08022	5.1
172.05165	2.7
173.05951	3.3
173.09634	1.4
174.06732	2.5
175.07515	2.3
175.11156	1.6
177.05476	0.7
185.05965	0.9
185.09581	2.1
187.07512	12.9
188.08292	0.8
189.05452	2.5
189.09052	7.6
190.06168	1.0
191.06929	1.1
193.08537	0.7
198.06728	1.5
199.07510	2.2
201.05470	1.2
203.06935	4.3
203.10602	2.8
204.07788	12.2
205.08524	2.1
206.09361	1.1
207.06435	0.6
213.09004	1.3
216.07771	2.6
217.08577	1.1
218.09392	1.1
219.10057	1.5
221.08119	0.9
221.11615	3.2
231.06461	1.8
231.10092	5.2
234.08745	0.9
249.11191	100.0
250.11472	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
53.03942	0.8
53.66655	0.8
55.01841	1.0
55.05479	1.7
57.03419	1.0
57.07063	5.8
59.05000	5.8
63.53904	0.8
65.03915	1.4
67.05495	14.5
69.07046	1.6
69.59855	6.8
70.06564	1.2
77.50645	0.8
79.05479	3.3
81.07037	3.5
83.01315	1.1
83.17310	0.9
85.06055	1.3
85.06532	23.5
91.05435	3.1
93.07032	2.2
95.04913	1.5
95.08578	2.3
97.28844	0.8
105.07011	9.2
107.08582	1.4
109.06474	2.9
109.10065	0.8
117.06924	1.3
119.08534	3.8
121.06494	2.1
121.10084	1.6
123.04367	1.6
123.08093	1.0
129.06973	1.2
131.08569	1.6
133.06477	3.5
133.10074	2.4
135.04370	0.9
135.08035	1.7
137.05003	1.0
137.05898	5.6
141.05411	2.7
142.07758	2.1
143.08524	1.9
144.98476	1.0
145.06551	1.1
145.10092	1.0
147.04393	2.5
147.08055	2.7
147.11655	2.0
148.05138	1.1
149.05954	1.5
153.05455	0.9
157.10075	3.4
160.08789	1.4
161.05957	28.1
161.09552	3.5
162.06369	0.9
163.03882	3.2
164.04633	5.3
165.05438	4.1
175.07553	5.2
175.11211	5.1
175.14830	1.6
177.05472	2.5
183.52266	0.9
185.09590	2.5
188.08218	1.9
189.05467	9.0
189.09055	3.7
191.03323	1.3
191.06993	4.7
193.04935	20.0
193.08578	2.3
201.05527	0.8
202.06187	4.1
203.06982	1.5
203.10638	17.7
205.08537	5.9
207.06482	3.1
213.09070	1.4
231.06497	2.0
231.10129	33.6
231.13657	1.4
232.10449	0.9
249.11172	100.0
249.15059	4.3
249.18468	3.6
249.36133	0.8
250.11534	2.9
256.19019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1115
Annotation	Isoevodionol
Peak:m/z	Relative Intensity
55.05491	1.1
57.03421	0.5
57.07067	6.1
59.05001	0.6
65.03922	1.0
65.70406	0.2
67.05494	8.6
67.85926	0.2
69.03399	0.4
69.61600	2.6
77.32078	0.2
79.05479	1.6
81.07027	0.4
83.01324	0.8
83.04929	0.3
85.06530	15.6
88.89906	0.3
91.05458	1.7
95.04966	0.4
105.07013	7.0
107.04899	0.6
107.08566	0.5
109.06474	1.3
115.05433	0.3
117.77804	0.2
119.04913	0.5
119.08563	1.8
121.06477	1.1
129.06927	0.7
131.08542	0.5
133.06445	2.0
133.10129	0.4
135.04407	0.7
137.05951	3.9
141.05444	1.6
142.07748	2.5
143.08505	0.7
145.06497	0.6
145.10072	0.6
146.07272	0.7
147.04407	2.7
147.08018	1.1
147.11658	0.9
148.05154	1.9
149.05942	1.0
157.10095	3.2
159.08072	0.5
159.11703	0.4
160.08801	0.8
161.05952	29.8
161.09521	1.3
162.06410	0.4
163.03844	2.9
164.04672	3.4
165.05447	5.0
167.08566	0.2
170.07187	0.4
173.05940	0.5
174.06702	0.4
175.04021	0.3
175.07549	3.2
175.11154	4.7
177.05464	3.0
185.09605	2.8
187.03796	0.3
187.07541	0.6
187.11113	0.6
188.04607	0.3
188.08281	1.9
189.05437	6.8
189.09079	4.3
191.03345	1.0
191.07013	1.1
193.04945	15.1
193.08572	1.9
194.05261	0.6
198.06758	0.3
201.05534	1.4
202.06200	3.1
203.10638	20.1
204.10968	0.4
205.08440	0.3
207.06493	2.7
207.10095	0.6
213.09065	1.2
216.07787	0.6
217.08511	0.3
221.11624	0.5
231.10123	32.9
232.10448	0.8
249.11182	100.0
250.11482	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	249.1117
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01866	0.5
55.05478	0.5
55.19995	0.5
57.03415	0.7
57.07062	0.8
59.04980	1.0
67.01833	1.0
67.05482	1.2
69.03395	0.9
69.07054	0.5
71.04985	3.8
71.81166	0.6
76.12782	0.4
79.05476	1.4
81.07021	1.9
83.01360	0.6
91.05470	1.7
93.07036	0.6
95.04935	1.3
95.08589	0.7
98.33271	0.5
105.07017	3.3
109.06495	2.8
109.10123	0.5
115.05444	0.6
119.08549	2.5
121.06473	1.4
121.10114	0.4
123.04398	0.8
123.08028	0.7
128.06145	0.9
129.07019	3.6
133.06497	0.9
133.10118	1.9
135.08015	0.8
137.05954	1.5
141.06961	0.9
142.07773	4.7
143.08549	0.8
145.06483	1.1
146.07214	0.7
147.08029	2.8
147.11592	0.8
149.05956	7.1
151.07501	1.1
157.10127	3.5
159.08006	1.4
160.08812	1.6
161.05983	3.6
161.09586	6.5
162.06734	0.6
163.03867	0.7
163.07495	0.9
165.05455	1.5
165.09081	1.6
167.08501	0.6
170.07234	1.2
175.07504	5.6
175.11197	4.3
177.05443	19.7
178.06242	19.1
179.07008	6.3
179.10701	0.8
185.09612	23.3
187.07574	0.5
188.08328	4.2
189.05438	0.7
189.09077	5.1
191.06929	1.3
193.04991	0.9
195.06467	0.8
198.06721	0.8
201.05432	1.1
202.06137	0.5
203.10645	34.3
204.10971	0.6
207.06493	2.8
207.08481	0.5
207.10065	3.1
207.11726	0.6
213.09077	6.2
215.06947	0.6
216.07828	6.9
221.11710	2.5
231.10141	63.8
232.10463	1.2
249.11169	100.0
250.11552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94650	3.9
71.46587	10.9
72.56949	4.0
81.89322	4.1
98.97575	12.8
116.98604	5.7
117.00598	4.9
153.28481	4.1
154.29716	4.7
249.03674	100.0
258.37854	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	249.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01859	2.7
55.05505	6.5
56.05030	1.3
56.96555	100.0
57.03426	11.7
57.07061	6.6
58.96148	1.7
58.99853	3.5
59.05011	6.0
60.95825	2.2
61.02919	8.5
65.03921	1.7
67.05492	2.4
69.03417	23.1
69.07044	4.1
70.06567	2.9
71.04982	6.4
71.80064	1.5
71.95255	2.0
72.08132	1.3
73.02898	12.9
73.06525	4.2
74.06074	2.0
74.97593	5.2
77.00919	1.6
79.05465	3.6
81.03407	10.6
81.07047	8.3
83.01311	1.3
83.04955	4.2
84.96021	13.2
85.02891	37.9
86.03199	2.1
86.06055	1.5
86.09683	2.3
87.04434	4.4
88.99151	1.5
89.00759	1.9
89.03887	5.3
91.03944	2.0
91.05455	3.1
92.01267	1.4
94.02679	1.4
95.04939	3.2
96.01533	1.3
97.02881	28.2
97.06477	1.9
97.99148	1.8
98.01285	2.3
98.03168	1.6
98.06010	1.8
98.97564	43.0
99.04438	7.7
99.08068	4.4
100.02486	1.7
100.99127	3.1
101.00813	3.3
101.02362	1.8
102.05547	1.5
102.97034	2.8
103.02317	1.3
103.03913	3.7
104.90813	1.4
105.00191	1.2
105.02046	4.7
105.03873	4.4
105.07012	1.8
107.01828	1.5
107.04955	1.4
109.02865	10.9
109.04552	1.4
110.01270	2.7
110.03100	1.9
110.07143	2.2
110.97551	4.0
111.02076	1.2
111.04443	3.5
112.99136	1.9
113.02331	1.6
114.02563	4.0
115.00680	5.1
116.07081	1.4
116.98599	39.3
117.02039	1.2
117.03282	2.7
117.03979	2.2
118.02771	2.1
118.03515	2.9
119.00183	4.0
119.01826	21.9
119.04923	4.1
121.01630	3.5
123.01221	2.3
123.02004	2.0
124.02819	2.4
124.04614	3.5
124.99102	12.0
125.06001	2.0
126.04368	1.9
127.00675	2.4
127.03902	18.4
128.02292	15.2
128.52438	1.7
128.98602	11.6
129.03935	2.6
130.04671	1.5
131.00125	6.3
132.02568	1.4
132.04326	4.2
133.01698	5.7
133.03389	1.8
134.05969	6.1
134.99634	26.8
135.04364	8.7
136.04695	1.4
136.06142	1.9
137.02820	5.5
138.02548	1.6
138.04396	2.2
139.05171	1.8
140.02257	1.4
140.98599	1.7
141.02200	5.1
141.03972	1.3
143.00140	48.4
143.01866	2.1
143.03850	1.7
144.98099	3.1
145.01822	6.0
145.02675	2.1
145.03488	2.3
145.04950	4.4
146.02168	1.3
146.04170	1.5
146.99619	10.2
147.03178	6.8
147.04280	2.8
149.01204	16.8
149.02444	1.5
149.02878	1.4
151.02719	2.8
151.03903	3.3
151.08652	2.2
151.53113	1.3
152.02263	2.4
153.00664	5.3
153.04752	1.5
153.05833	1.9
154.03879	3.2
155.04648	5.5
156.03557	3.6
157.01691	2.4
157.03448	1.5
158.01222	1.3
158.99637	17.4
159.03133	5.9
159.04958	7.5
160.05157	1.5
161.01201	83.0
161.02788	4.9
161.04721	8.7
161.06548	2.6
162.01666	1.7
162.03465	2.7
162.06274	4.7
162.99126	7.0
163.02702	7.4
163.03900	32.5
164.04176	9.4
165.00691	5.4
165.04340	2.2
166.01701	1.5
167.00099	1.5
167.02255	4.9
168.03622	12.5
168.05414	69.9
168.55531	6.3
169.01544	1.5
169.04515	1.7
170.03494	1.9
170.05112	4.2
170.99539	3.7
173.01276	2.9
173.02849	3.5
173.04836	9.6
173.52945	1.5
174.99165	8.9
175.02725	4.7
175.04187	1.5
176.03419	2.5
176.05046	1.7
176.55243	3.7
177.00745	23.5
177.02206	2.3
177.04147	43.8
177.05939	81.6
177.54239	5.0
177.56116	7.4
178.00952	2.0
178.04810	4.1
179.02258	11.0
179.05869	2.4
179.56245	2.3
181.00111	3.1
182.03325	6.7
182.04988	1.3
182.06651	4.5
184.02841	5.6
184.04845	3.4
185.01219	19.7
185.02989	3.9
186.04593	1.5
186.99115	3.9
187.02756	5.4
187.04472	2.2
187.10785	1.4
188.04710	2.6
188.54926	5.8
188.56735	15.6
189.00713	14.8
189.02332	2.5
189.04298	4.0
189.06836	1.7
191.02477	6.2
191.03915	5.2
191.05777	10.0
193.00201	13.2
195.01759	3.2
197.03751	2.5
200.02350	2.2
200.04353	1.7
200.07629	2.7
201.00713	4.6
202.98599	4.0
203.02254	18.7
203.03929	2.7
203.05554	1.7
205.00142	7.5
205.03671	2.7
206.02571	4.3
207.01790	10.8
207.03535	1.9
207.05353	2.5
207.97552	4.0
208.02754	1.3
208.04587	3.3
209.03127	1.8
209.06903	2.8
213.00723	3.1
216.04265	1.3
217.03668	1.8
219.01703	10.2
219.03511	1.8
221.03223	2.4
221.05130	1.6
223.01196	9.5
225.02730	2.8
226.03737	3.0
226.05611	7.3
227.04138	1.7
228.04230	1.6
229.03903	1.8
231.01617	8.4
231.05133	2.3
231.07162	2.2
231.09894	1.3
231.13734	1.7
232.03659	3.4
237.02759	7.5
240.05699	2.1
243.01724	2.0
244.04749	1.7
248.99194	8.4
249.02682	27.0
249.06247	2.6
249.08618	2.1
249.11201	2.3
249.14871	2.2
249.18552	1.4
250.02934	1.6
250.09268	2.4
261.02841	2.0
263.04578	1.3
267.00259	6.8
267.03824	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0914
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
51.24794	0.3
51.30589	0.3
56.05024	0.3
57.03423	0.3
61.85214	0.3
62.62971	0.3
63.79617	0.3
69.03415	0.5
69.07062	0.4
69.80563	0.4
69.80898	2.6
71.01369	0.3
71.05000	0.3
72.08131	0.5
72.59923	0.3
81.03410	0.4
84.08131	0.7
85.02894	0.5
86.09695	1.2
93.75683	0.3
96.04461	0.3
97.02861	0.4
109.02879	0.3
118.06543	0.7
118.96800	0.4
121.02083	0.3
121.02832	1.6
122.03191	1.2
124.07507	0.4
129.06993	2.1
132.08066	1.2
135.04355	0.3
140.14355	0.9
141.45393	0.4
150.07722	0.8
153.01819	2.1
154.02158	2.4
155.07246	0.3
156.08067	5.9
159.06767	6.1
160.07564	4.3
163.03874	1.5
167.07204	0.4
173.13815	0.3
182.69484	0.3
183.06763	0.9
184.07552	32.3
185.08279	1.8
186.09119	10.8
186.14824	1.5
188.07039	42.0
212.07039	53.4
228.76334	0.4
230.08101	21.4
248.09132	100.0
249.09413	1.0
249.15723	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	248.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
53.07125	1.0
55.01855	3.3
55.05500	3.6
56.96559	69.9
57.03431	5.0
57.07068	2.3
59.04992	1.9
60.04531	1.2
61.02920	6.2
65.03935	2.5
67.05492	5.2
69.03430	13.2
69.07059	2.6
70.06587	1.8
70.98117	1.6
71.04983	4.2
71.80511	1.5
71.95249	1.8
72.08151	1.9
73.02919	6.6
74.97614	2.3
77.00897	1.4
79.05489	5.0
81.03405	5.2
81.07012	1.2
81.64895	1.1
83.04956	2.5
84.04514	1.8
84.08131	3.9
84.96035	6.7
85.02901	25.3
85.06524	1.8
86.03221	1.3
86.06054	4.3
86.09682	5.2
87.04469	2.9
87.10032	1.5
89.03912	11.2
91.05466	3.5
94.06554	4.1
95.04943	3.9
95.08585	1.5
96.01549	1.8
96.56084	1.2
97.02879	13.2
97.06512	1.9
97.52067	1.7
98.01292	1.4
98.06039	2.8
98.97571	43.9
99.04454	4.2
101.02357	1.8
102.05518	1.5
103.03944	2.3
104.01328	1.2
107.04959	3.9
108.39935	1.1
109.02850	5.5
110.01258	3.4
110.97562	4.2
111.04443	2.2
112.99139	2.5
115.00670	1.9
116.98608	40.3
117.03343	10.0
117.04057	1.5
119.01858	9.0
119.04938	4.4
120.01972	2.4
121.01659	6.2
121.51997	1.6
122.02020	2.3
122.06015	6.1
124.99129	3.6
125.03648	1.4
127.03936	9.3
128.02292	9.3
128.98601	6.3
129.10236	1.5
130.08606	2.1
130.52560	1.3
131.00169	3.4
131.01895	3.9
133.01704	2.8
134.03595	1.6
134.06042	1.4
134.99641	29.3
135.04378	21.5
135.05307	1.1
136.04732	2.5
136.06113	2.7
137.02841	1.8
139.02711	2.9
140.00220	2.5
141.02237	2.9
143.00145	18.3
143.01880	2.7
144.03398	1.6
144.98085	1.9
145.01665	2.2
145.02846	11.3
145.03619	2.8
145.05026	3.4
146.02161	1.5
146.91827	2.2
146.99625	5.2
147.03221	3.0
147.04359	15.6
149.01190	3.8
150.05492	18.9
151.02786	1.2
151.03900	1.5
152.04153	1.2
153.00716	5.7
154.03825	2.8
155.04666	1.8
156.03503	2.2
158.01262	5.3
158.99666	8.3
159.03317	4.2
159.04985	3.1
160.06480	2.8
161.01219	28.9
161.02861	4.4
161.04683	10.3
162.05135	3.0
162.99161	3.6
163.03882	100.0
164.04211	7.8
165.00748	2.5
166.03976	2.3
167.04546	9.8
168.05376	3.0
168.06645	1.7
169.03481	6.0
169.04872	1.5
170.05164	22.0
170.55418	2.6
170.99631	4.7
171.03389	1.5
171.04974	3.9
173.01321	2.0
173.02940	4.0
174.99152	3.8
175.02763	2.8
175.04440	1.3
175.54228	1.7
176.03362	6.1
176.05182	12.2
176.55310	1.8
177.00714	14.5
177.04298	6.3
177.05902	2.8
178.04770	1.8
179.02287	5.1
179.05914	2.9
181.04889	2.6
181.55991	2.0
182.03375	3.7
182.99617	2.2
184.55130	2.0
185.01288	5.7
185.03867	4.9
185.05563	2.5
186.05699	3.1
186.99167	1.9
187.02847	2.8
187.04530	6.5
187.05997	1.3
189.00710	11.9
189.02391	2.3
189.04358	8.2
189.05951	2.0
191.02252	2.3
191.03925	2.0
193.00217	6.5
195.01778	1.3
195.05385	2.5
197.02882	1.5
199.04596	2.5
200.04529	1.2
200.07375	2.3
201.00703	3.9
201.02489	1.5
203.02240	6.6
203.03970	3.0
205.00198	1.8
205.03827	3.1
206.04111	4.3
206.06949	2.9
207.01704	7.3
207.05394	6.3
212.07695	1.5
215.04028	3.7
219.01735	4.5
221.03128	1.9
223.01259	3.0
224.01529	2.2
224.08034	4.9
225.00610	1.5
227.04050	4.0
230.06927	12.6
230.10345	2.3
230.98218	1.7
231.01675	7.7
233.05067	2.7
237.02858	5.4
239.06857	1.6
243.01807	3.1
245.05087	3.5
248.02994	8.8
248.08002	32.0
248.11336	3.4
248.99251	3.9
249.02736	16.3
249.05261	1.5
249.06410	2.1
254.03413	1.7
255.03851	1.6
261.02805	1.8
266.08972	2.3
267.00247	3.3
267.03918	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	247.0599
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
52.87300	0.2
55.01861	0.8
58.15756	0.2
62.70594	0.2
65.03920	0.7
67.01859	1.6
67.05508	0.4
68.34674	0.2
68.99766	1.3
69.03423	1.6
70.48011	0.4
79.05467	0.4
79.51339	0.2
81.03402	0.3
81.07058	0.3
83.01337	0.3
91.05465	0.6
93.07050	0.3
94.87722	0.2
95.08562	0.2
97.02876	0.9
98.20832	0.2
105.07015	0.4
107.04967	0.2
107.08596	0.2
107.10299	0.2
111.00763	0.4
111.04418	1.8
117.06975	0.2
121.02854	11.2
121.06495	0.3
121.10091	0.3
125.07079	0.4
131.08534	0.5
153.01810	100.0
154.02167	0.8
171.02820	0.3
175.03928	0.5
177.09082	0.3
187.07413	0.2
187.11185	0.3
201.05379	0.5
201.09213	0.3
217.08519	0.2
229.04962	0.5
229.12187	0.4
243.78528	0.2
247.06003	27.6
247.13365	0.8
247.16960	0.3
248.06355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
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
50.10778	1.3
50.14139	1.3
52.50706	1.3
52.68800	1.4
53.03925	3.9
55.05483	4.8
57.03425	3.4
64.78593	1.5
65.03916	5.0
67.05513	7.6
68.99760	1.6
69.03425	16.5
69.07043	2.0
70.19144	8.4
71.01332	2.7
71.04961	5.2
72.25795	1.5
79.05473	25.2
81.03393	1.4
81.07053	8.7
83.04967	15.4
83.49387	1.3
85.02900	14.2
85.06542	2.4
85.08376	1.3
85.11809	1.4
91.05462	18.4
93.03378	2.6
93.07021	15.5
95.04963	7.9
95.08570	3.2
97.02852	5.7
103.03950	9.8
105.07016	15.1
107.04929	1.9
107.07910	2.0
107.08584	31.9
109.02860	17.9
109.06503	14.4
109.10134	4.3
111.04420	4.8
115.05441	3.9
116.06163	2.0
117.07023	8.7
119.04905	1.9
119.08556	20.4
121.02867	2.9
121.06478	18.9
121.10120	10.5
123.04390	1.9
123.08044	2.9
127.03877	3.0
128.06184	4.1
129.07007	6.8
130.07849	1.4
131.08559	19.1
133.06464	2.9
133.10115	10.1
135.08032	100.0
137.05957	6.8
137.09576	4.4
141.05432	8.6
141.06979	1.7
142.07724	2.8
143.08505	10.6
144.05664	1.8
144.09332	10.3
145.04955	14.7
145.06436	9.9
145.10089	13.6
147.07990	3.9
149.09601	20.6
150.10352	4.1
151.11179	2.7
153.01808	3.2
153.06958	2.8
153.09079	2.1
155.08533	4.6
157.10114	3.4
158.07249	2.1
158.10857	12.3
159.08017	13.9
159.11679	29.3
160.08778	3.0
161.09601	4.9
163.07544	16.4
163.11206	3.1
165.09155	2.1
168.09341	2.8
169.10098	3.1
170.10884	3.2
171.08072	3.8
172.08858	13.5
173.05937	1.5
173.09605	26.5
173.11850	2.5
173.13242	38.1
173.14665	1.4
175.03897	2.6
175.07472	3.2
177.09053	4.1
177.89760	1.4
183.11685	10.6
185.13161	1.9
186.10374	22.2
187.07509	4.5
187.11153	87.1
188.11577	1.6
189.09087	1.8
191.07016	25.1
196.08803	3.4
199.07634	2.7
201.12724	71.0
202.13129	2.0
205.08444	2.0
205.12198	11.5
211.11156	10.4
214.09830	2.8
215.22626	1.6
219.13788	6.1
229.12210	77.0
247.05856	3.3
247.09653	5.6
247.13260	85.9
264.10471	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0599
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
55.01862	0.8
55.05486	0.5
57.03425	0.4
57.07077	0.4
65.03928	1.7
67.01865	1.6
67.05500	0.7
68.99784	1.5
69.03428	2.1
69.07062	0.3
69.80851	2.2
70.06580	0.4
72.08131	0.4
79.01829	0.3
79.05480	0.6
81.03401	0.7
81.07056	0.5
83.01300	0.7
83.04957	0.8
85.02908	0.7
85.06539	0.4
87.04463	0.3
91.05484	1.1
93.07004	0.6
95.04953	1.2
97.02872	1.5
105.06994	1.4
106.77457	0.3
107.04951	0.5
107.08565	0.9
109.06514	0.8
111.00722	0.4
111.04429	3.0
117.90512	0.3
119.08556	0.8
120.54003	0.3
121.02855	53.5
121.03867	1.9
121.06478	0.9
123.08055	0.9
124.07576	0.4
125.06052	0.4
125.07887	0.5
125.09627	0.5
126.87393	0.3
128.06247	0.4
129.07010	0.4
129.09148	0.3
131.08560	0.8
133.06487	0.5
133.10120	0.5
135.04404	0.5
135.08025	0.6
137.02336	2.9
137.05923	0.5
141.06985	0.3
143.08521	0.7
145.05090	0.3
145.06374	0.5
145.10101	0.9
153.01811	100.0
154.02155	1.0
155.08553	0.5
156.08064	0.7
157.10133	0.6
159.06778	0.4
159.08025	0.5
159.11719	0.6
161.09622	0.5
163.03893	1.8
163.07509	0.4
164.04146	0.4
165.09148	0.4
171.02876	1.1
171.11575	0.3
172.08861	0.4
173.06064	0.6
173.09636	0.4
173.13309	0.5
178.07849	0.3
183.06607	0.8
184.07622	1.7
187.07437	0.3
187.11192	0.7
188.07059	1.8
189.09097	0.6
191.06984	0.8
199.11157	0.7
201.05428	0.9
201.12762	0.8
203.10681	0.3
205.05029	0.4
212.07047	2.5
217.12221	0.5
229.05220	1.6
229.07051	0.5
229.12311	1.0
230.08130	0.9
239.08125	0.3
247.06001	54.5
247.13075	2.8
248.06392	1.2
248.09172	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	247.0598
Annotation	2,3',4,6-Tetrahydroxybenzophenone
Peak:m/z	Relative Intensity
55.01861	0.5
65.03927	0.7
67.01856	1.6
68.99793	1.1
69.03429	1.6
70.86092	0.3
70.86440	0.8
72.88779	0.3
73.40380	0.3
83.01353	0.5
87.73887	0.2
92.93742	0.2
97.02873	0.8
102.54825	0.3
111.04433	1.9
121.02855	11.8
126.18967	0.3
153.01811	100.0
154.02180	1.4
171.02892	1.0
175.03938	0.2
178.54218	0.3
238.86812	0.2
247.05994	27.1
248.06346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
57.07050	0.3
67.05486	0.5
68.86568	0.2
69.07054	1.0
69.50530	0.5
69.50937	1.9
70.06586	1.0
70.70297	0.2
79.05488	0.4
81.07056	1.9
82.06564	1.9
83.08599	0.6
84.08118	0.3
91.05458	1.1
93.07037	2.2
94.06564	0.5
95.08043	0.3
95.08585	1.9
96.08108	0.6
98.09708	0.2
102.75125	0.2
105.07016	2.8
107.08567	2.8
108.08095	1.4
109.10157	1.5
110.09671	1.2
119.08579	2.4
121.10127	1.8
122.09608	0.3
123.11703	0.7
131.08545	1.4
133.10100	1.5
135.11671	0.8
145.10107	1.9
147.11647	2.0
149.13226	1.5
152.14325	1.9
159.11697	1.6
159.53204	0.2
161.11989	0.3
161.13251	0.5
161.14575	0.2
165.05450	0.7
168.42288	0.2
173.13275	1.3
186.13995	0.3
187.14807	0.7
188.14310	0.5
189.16377	1.2
201.16348	0.3
203.16692	0.9
204.17503	0.9
218.19110	0.4
229.08591	0.3
229.19498	1.0
246.22145	100.0
247.09531	0.4
247.22507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65448	0.7
56.89368	0.8
59.89549	0.8
60.13689	0.8
67.23926	0.9
69.04447	0.9
71.38954	1.9
71.42857	0.9
72.08127	1.7
92.16813	0.9
114.64589	0.7
124.98522	1.0
134.66757	0.9
145.76169	0.8
163.03897	1.1
190.94588	0.8
229.03157	25.5
247.04227	100.0
247.07857	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	245.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
55.66311	1.9
57.07054	2.8
64.76331	2.0
66.92178	2.0
67.05486	7.6
68.99807	2.2
69.03410	4.4
69.07063	11.5
69.80048	15.5
71.04964	4.4
77.56919	2.0
77.64172	2.1
79.05462	8.7
81.07053	20.3
83.04970	22.0
83.08601	6.7
85.06500	5.0
86.09706	3.1
91.05465	5.7
93.07033	21.3
95.04942	3.8
95.08602	18.9
97.06506	5.1
99.04404	2.2
99.08092	16.1
105.07016	13.2
107.04923	2.4
107.08580	32.1
109.06517	5.2
109.10117	9.9
111.04430	2.3
111.08091	4.1
119.08557	14.5
119.22856	2.3
121.06486	6.2
121.10146	25.6
123.08045	14.3
123.11655	4.7
125.09595	3.4
127.89146	2.2
131.08522	4.5
133.10104	12.3
135.08029	6.4
135.11671	12.7
135.62837	2.2
137.09593	3.5
139.07500	4.0
142.03133	4.7
145.10098	3.5
147.04411	2.7
147.11678	5.9
149.09602	41.6
149.13225	19.3
151.11151	5.9
153.09047	12.5
161.06015	2.7
161.13255	10.6
163.11169	2.9
163.14804	9.4
167.10658	2.4
173.13240	9.7
175.03874	6.4
179.14325	16.3
189.05574	2.6
191.14273	21.3
197.15366	4.5
199.03938	5.0
203.03360	3.0
209.15346	45.8
217.04926	3.3
227.08485	3.4
227.16368	12.0
245.04422	100.0
245.11661	2.8
246.04707	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	246.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98882	0.9
67.05498	6.0
68.99753	1.1
69.03407	1.9
69.07059	8.0
69.27527	0.8
69.81907	5.6
70.06568	1.3
71.04969	1.9
81.07036	3.4
81.69604	0.8
82.06549	1.3
85.06542	1.6
93.06996	2.3
94.06528	1.0
95.04944	6.8
95.08589	5.5
97.02839	0.9
105.06976	2.3
107.08582	2.4
108.08105	1.2
109.06503	1.2
109.10141	100.0
110.10461	1.2
119.08577	6.1
121.06462	2.3
121.10099	1.2
123.11691	13.4
127.11177	42.0
133.10109	6.4
137.09605	11.1
139.07484	1.5
143.08533	0.9
151.11160	2.8
155.10696	4.3
161.09573	6.1
169.12204	1.3
173.11755	10.0
173.13148	1.4
179.10657	24.4
183.13811	1.6
191.06961	1.9
196.78319	1.0
197.11710	58.2
198.11891	1.1
200.04190	1.4
211.13243	20.9
219.06415	1.2
228.03752	1.0
229.14339	3.8
232.97095	1.0
238.17934	1.4
246.04758	42.5
246.11417	1.1
246.15553	1.1
246.17970	5.3
246.22139	25.9
246.24306	2.1
246.67882	1.6
247.05074	1.6
247.09753	1.3
247.13264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0441
Annotation	beta-L-Fucose 1-phosphate
Peak:m/z	Relative Intensity
67.01848	0.4
68.99780	1.7
69.90790	0.3
69.91216	0.4
98.20714	0.2
107.04909	0.1
115.05460	0.2
121.02863	0.1
121.06457	0.2
124.00597	0.1
131.29111	0.1
137.02312	1.4
147.04378	0.5
148.21138	0.1
161.05934	0.2
171.04376	2.5
175.03835	0.3
176.04706	0.5
177.05440	3.3
189.05362	0.5
199.03865	3.2
203.03366	3.0
217.04953	1.4
221.04410	2.3
227.03366	1.5
228.04131	0.2
238.17892	0.1
245.04410	100.0
246.04779	1.6
268.05325	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	245.0441
Annotation	beta-L-Fucose 1-phosphate
Peak:m/z	Relative Intensity
50.73937	0.1
55.05481	0.3
65.03944	0.2
66.59977	0.1
67.01853	0.4
68.99420	0.2
68.99777	2.9
71.16766	0.2
71.17097	0.3
74.30146	0.1
75.97939	0.1
77.65554	0.1
81.07058	0.1
83.08601	0.1
83.74659	0.1
84.50446	0.1
87.86694	0.1
91.05445	0.2
93.07022	0.2
103.05433	0.2
105.03355	0.2
105.07030	0.6
107.04922	0.2
109.02852	0.4
109.10050	0.1
111.00783	0.4
115.05443	0.4
119.32423	0.1
121.06477	0.8
125.09601	0.2
133.06425	0.5
135.04353	0.3
137.02325	1.0
143.04939	0.2
147.04413	1.0
153.01724	0.1
161.02319	0.5
161.05975	1.0
167.03346	0.2
171.04376	1.7
175.03889	0.2
176.04634	0.2
177.05424	1.4
189.05460	2.5
189.11162	0.2
199.03853	1.4
203.03352	2.1
217.04933	8.9
220.16850	0.1
221.04431	1.2
223.99768	0.1
227.03441	0.9
238.17851	0.2
240.19615	0.2
245.04416	100.0
246.04794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.7
60.26881	0.6
69.60670	1.6
69.61079	4.7
69.82968	0.6
70.06578	2.5
77.00889	0.7
81.90469	0.8
82.06546	0.9
82.99858	1.7
84.04518	3.4
84.04936	0.6
84.08129	1.1
85.02892	2.6
94.32146	0.6
97.02886	1.0
98.97583	2.0
99.02900	1.1
101.00864	17.2
109.02873	1.2
113.03466	1.3
113.05444	0.9
114.05500	1.1
115.02423	0.7
116.98644	1.8
117.03996	8.5
119.01909	96.2
120.02062	1.6
130.04945	3.4
131.01866	1.6
133.03464	0.9
135.05038	7.3
137.02951	29.0
141.03912	3.7
142.03496	1.6
142.04976	1.2
143.01904	1.6
145.03455	2.1
149.01244	0.7
155.01913	0.9
157.03426	2.6
159.05022	100.0
160.05183	1.2
161.01514	1.2
161.02945	9.2
173.02974	2.1
173.04575	0.8
175.04507	1.1
177.06084	43.8
178.06267	0.8
178.91621	0.8
182.03949	0.9
182.06624	3.1
184.09682	2.8
185.02943	15.9
191.04045	0.7
193.00293	0.8
194.27341	0.6
197.02963	0.8
200.07680	0.8
201.06136	1.4
201.12326	3.9
203.03995	53.6
217.05418	0.7
221.05054	6.1
226.05667	1.8
227.04053	0.9
227.10287	0.6
233.04938	0.7
243.02438	0.6
245.05029	12.6
245.11395	0.9
245.15269	0.9
263.06012	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0442
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
55.01857	0.2
67.05482	0.2
68.99776	0.6
70.06588	0.2
70.49696	0.4
81.07050	0.2
95.01313	0.9
95.04924	0.3
95.08603	0.1
107.01267	0.1
109.10088	0.1
111.79288	0.1
115.05424	1.4
121.02879	0.5
123.00776	8.2
133.06479	0.3
141.01797	0.8
142.03207	0.2
143.04901	0.5
147.04393	0.3
149.94521	0.1
151.00259	3.0
161.05954	0.2
169.01303	6.7
171.04391	9.8
176.96928	0.3
189.05450	0.5
199.03883	4.7
203.03352	0.3
217.04950	2.9
227.03374	3.5
228.04128	0.7
244.03697	0.2
245.04419	100.0
246.04768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0443
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
67.05475	0.2
68.99776	1.0
71.50049	0.4
79.05479	0.2
79.38966	0.2
80.45092	0.2
81.07020	0.2
86.09678	0.5
102.72139	0.2
103.05424	0.4
105.07014	0.5
105.34045	0.2
115.05440	1.4
119.04933	0.2
128.80962	0.2
130.04250	0.2
131.04953	0.5
133.06458	0.5
142.03188	0.4
143.04935	1.0
145.06418	0.2
147.04419	1.1
155.04938	1.0
157.07594	0.2
161.05971	1.1
171.04388	2.8
175.03877	1.5
177.05473	0.6
189.05460	1.2
199.03903	3.6
200.04601	0.2
203.03418	0.3
217.04974	1.6
227.03381	0.7
227.08458	0.9
244.03638	0.5
245.04428	100.0
246.04880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.4
61.36784	0.2
62.07043	0.3
64.80563	0.3
69.76210	1.4
69.76639	0.8
73.15309	0.3
82.99834	0.3
98.20737	0.6
98.97571	2.4
99.97975	0.5
101.00871	3.5
102.00933	0.8
102.96840	0.6
116.98617	2.2
117.98919	0.6
119.01906	25.7
120.01983	5.2
120.97912	0.7
121.01632	1.2
130.96857	0.3
131.01891	1.1
134.99638	1.5
135.99956	1.0
137.02942	9.5
138.03026	1.4
138.98894	0.5
139.02597	0.4
142.03461	3.3
143.01874	0.9
145.03424	0.5
153.00781	0.4
154.01009	0.5
155.01910	0.3
157.03462	0.8
160.00067	0.7
160.04529	1.2
161.02942	9.5
173.02950	1.1
175.04547	0.9
177.00938	3.2
178.01035	19.2
179.00670	4.9
179.03986	9.3
183.99902	0.4
184.04463	1.4
185.02913	0.9
187.04529	0.3
191.04065	0.5
192.30113	0.3
194.04143	0.4
196.02086	0.4
197.02834	0.3
201.02763	0.5
202.01050	1.3
202.05563	1.5
203.03990	2.2
218.04196	3.3
219.01941	1.8
220.02100	23.5
221.01718	9.0
221.04793	1.5
222.02309	0.4
226.00977	2.1
226.05585	0.4
227.00621	0.5
243.03624	0.6
244.02007	7.7
244.04301	0.5
245.01826	1.2
245.05014	2.8
262.03171	100.0
263.02832	18.2
263.05786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.044
Annotation	1,3,5-Trihydroxyxanthone
Peak:m/z	Relative Intensity
54.35096	0.2
55.01841	0.4
57.07053	0.2
61.49151	0.1
61.92629	0.2
62.06067	0.8
67.05476	0.3
68.99768	0.5
70.01531	0.9
72.15123	0.1
95.01320	0.8
95.04946	0.4
115.05412	1.1
120.75684	0.1
121.02860	0.5
123.00769	7.1
141.01810	1.1
143.04924	0.4
147.04372	0.3
151.00230	2.2
159.45972	0.2
161.06059	0.3
165.05450	0.2
169.01297	6.4
171.04387	9.1
189.05426	0.5
199.03865	4.3
203.03349	0.3
209.10136	0.2
210.34312	0.2
217.04947	2.5
227.03362	3.0
228.04123	0.7
240.60953	0.2
244.03755	0.4
245.04407	100.0
246.04781	1.3
251.51396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1377
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
52.34645	0.2
53.03925	0.5
55.01861	0.4
55.05503	3.8
56.61759	0.2
65.03928	0.6
67.05482	0.9
69.03423	1.5
69.07063	0.4
69.69242	2.0
71.04994	0.6
79.05479	0.8
81.03432	0.3
81.07027	1.6
83.04972	2.8
91.05466	3.5
93.07046	0.9
95.04977	0.5
95.08588	0.7
97.02967	0.2
99.04442	5.5
103.05453	0.5
105.07016	7.6
107.08569	0.7
107.95753	0.2
109.06509	0.8
111.04429	48.3
112.04735	0.3
115.05456	0.9
115.90721	0.2
116.06252	0.4
117.06998	4.8
119.08568	6.5
123.08068	0.3
125.05970	0.5
128.06194	1.0
129.06990	3.7
130.07776	4.6
131.08554	4.4
133.10098	0.8
137.05951	0.9
141.06947	0.8
142.07797	1.1
143.08539	3.9
144.09328	1.4
145.06453	0.8
145.10106	25.2
146.10484	0.4
147.11697	0.7
151.07507	0.9
153.06953	1.2
154.07787	1.2
155.08542	6.8
156.09329	1.6
156.19371	0.2
157.06483	0.6
157.10101	2.6
158.07245	1.7
159.07996	1.5
159.11678	1.3
161.05960	0.5
165.06940	0.8
166.07701	0.3
167.08548	4.5
168.09340	0.7
169.10115	3.0
170.10735	0.3
171.08025	0.4
171.11647	1.6
172.08835	1.2
173.09602	9.8
173.13217	0.5
175.07462	0.4
181.10103	1.2
182.10899	6.2
183.08061	1.1
183.11557	0.6
185.09604	1.0
186.13980	0.4
187.07472	0.7
187.14772	0.6
188.08322	0.9
189.08997	0.3
192.09308	0.5
195.08017	2.3
195.11717	0.5
196.08824	0.6
197.13237	13.4
199.11166	1.4
200.11885	0.7
201.09082	43.6
202.09418	0.7
207.11684	0.7
210.10371	2.3
213.09082	2.2
214.13466	0.8
215.10741	1.6
215.14258	2.6
225.12726	4.7
227.10568	0.4
228.11426	3.4
243.13773	100.0
244.14154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1376
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
53.03931	0.6
55.05501	3.3
65.03925	0.6
67.05494	1.0
69.03422	1.4
69.07056	0.4
71.04984	0.6
79.05493	1.1
81.03393	0.4
81.07050	1.8
83.01373	0.2
83.04965	2.7
83.17761	0.2
91.05466	3.9
93.07025	0.8
95.04967	0.3
95.08577	0.8
97.02901	0.2
98.20632	0.4
99.04440	6.5
103.05437	0.4
105.07014	6.7
107.08587	0.6
108.05719	0.2
109.06493	0.5
111.04424	47.8
115.05456	0.6
116.06196	0.3
117.07000	4.3
119.04956	0.3
119.08561	5.7
121.06477	0.4
123.04425	0.3
123.08041	0.4
125.05978	0.8
128.06192	1.4
129.06976	4.2
130.07770	4.4
131.08562	4.8
131.09550	0.3
131.21449	0.2
132.09299	0.3
133.10072	0.6
135.04514	0.2
135.08049	0.3
137.05978	0.8
141.06976	1.5
142.07756	1.2
143.08525	3.9
144.09294	1.4
145.06470	0.9
145.10103	26.3
147.08084	0.3
147.11661	1.1
149.05914	0.2
151.07504	0.7
152.06245	0.2
153.06960	1.1
154.07742	0.8
155.08531	6.3
156.09338	1.7
157.06421	0.5
157.10110	2.6
158.07227	1.6
158.10895	0.3
159.08011	1.6
159.11623	0.9
163.07550	0.3
165.07001	0.7
167.08522	4.3
168.05676	0.3
168.09302	0.9
169.10104	3.4
171.07993	0.8
171.11665	1.7
172.08821	1.4
172.12477	0.2
173.09595	10.1
173.13268	0.4
174.10112	0.2
175.07465	0.4
180.09285	0.3
181.06488	0.2
181.10115	1.2
182.10880	6.6
183.08092	0.9
183.11630	0.5
184.08769	0.2
185.09569	0.8
185.13231	0.3
186.06754	0.3
187.07457	0.9
187.11185	0.3
187.14761	0.8
188.08313	0.9
192.09335	0.6
195.08041	2.2
195.11650	0.4
196.08818	0.4
197.13228	14.5
199.11153	1.3
199.14940	0.2
200.11911	0.5
201.09077	45.5
202.09430	0.7
207.11703	1.0
208.47394	0.2
209.09637	0.3
210.10341	2.5
213.09076	2.3
214.09882	0.3
214.13487	0.7
215.10628	1.5
215.14282	2.6
225.12704	4.6
227.10606	0.4
228.11394	3.2
234.90181	0.2
243.13765	100.0
244.14087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	18.7
55.05501	2.8
56.96552	0.5
57.03419	2.2
57.07068	2.8
65.03903	0.7
67.05143	0.8
67.05496	11.3
69.03421	38.5
69.07048	1.7
71.04621	0.7
71.04983	10.4
71.79158	0.6
73.02902	2.8
75.04419	0.4
78.36993	0.4
79.05487	3.1
81.03400	0.7
81.06554	0.6
81.07045	11.4
83.04974	2.8
83.08595	1.1
84.96037	0.7
85.06039	0.6
85.06534	9.3
87.04385	0.5
91.05457	3.4
93.07034	9.1
95.04961	10.5
95.08595	4.6
96.24835	0.4
97.02847	1.2
97.06525	4.5
98.97572	2.3
99.04453	2.8
99.08047	0.7
101.06007	1.2
105.07021	5.8
107.04947	0.8
107.08567	4.1
109.06512	4.9
109.10143	7.2
111.04458	0.5
111.08070	16.5
113.05990	4.8
115.03917	6.9
115.07603	0.9
116.98607	1.0
117.07001	0.6
119.04886	0.6
119.08551	2.0
121.06493	3.3
121.10132	1.9
123.08056	2.6
123.11683	4.5
125.05975	0.6
125.09609	0.5
127.03928	0.5
127.07510	0.6
129.05421	0.6
131.08568	0.7
133.06476	1.0
133.10101	7.7
135.08034	0.9
135.11673	1.7
137.05962	1.4
137.09589	4.3
139.07524	13.1
141.05426	1.1
143.08495	0.9
145.10135	0.5
147.08032	0.5
147.11671	0.9
149.05969	0.8
149.09624	2.7
151.07530	1.2
151.11163	13.1
155.06989	0.9
158.99693	0.5
159.06517	0.8
161.09610	6.3
161.13182	0.6
163.11192	1.3
165.09096	0.5
167.07027	4.9
169.04947	0.8
169.12206	1.8
170.99640	0.5
173.08037	1.5
179.10654	10.3
185.08070	100.0
186.08444	1.4
189.09067	1.6
189.12735	0.8
197.05952	0.7
197.11722	6.9
204.07245	0.9
207.10117	4.4
207.13766	0.6
210.10304	0.4
213.07767	2.8
213.57880	0.7
215.07011	0.5
215.12801	0.6
222.08325	1.6
225.07405	0.6
225.11172	4.9
225.14832	2.5
231.08820	2.0
243.06522	1.7
243.12106	4.7
243.15913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1013
Annotation	Viteralone
Peak:m/z	Relative Intensity
53.03933	0.4
55.01847	0.7
55.05497	1.1
57.03407	0.6
57.07063	0.8
58.25701	0.3
59.47188	0.3
67.05492	1.4
69.03413	0.7
69.07052	0.9
69.61430	0.3
70.45885	1.1
71.04969	0.5
79.05498	0.4
81.03400	0.5
81.07043	2.8
83.04960	0.9
83.08617	0.6
85.06529	0.5
91.05457	1.2
93.07011	1.0
95.04942	0.8
95.08594	1.3
97.06477	0.5
98.21500	0.5
99.04444	0.6
99.08041	0.4
105.07037	1.5
107.08557	0.4
109.10101	0.4
113.06039	0.3
115.05435	0.7
116.06242	0.3
117.06998	0.6
119.08563	1.1
121.06454	0.4
121.10112	0.6
123.04427	1.0
123.08019	0.4
123.11640	0.7
127.07517	0.4
128.06180	1.1
129.06972	1.5
131.08536	1.8
133.10129	0.6
139.03894	0.4
140.06201	2.7
141.05437	0.6
141.07005	3.1
143.08530	0.6
144.09306	0.5
145.06432	1.1
145.10094	0.9
147.04359	0.6
148.41899	0.3
152.06232	0.3
153.06969	1.9
154.07747	4.1
155.04828	0.5
155.08490	1.1
157.06454	0.9
158.07277	0.9
159.07962	0.9
159.11665	1.3
160.05156	1.1
161.05936	1.2
165.06946	0.7
167.08519	1.2
168.05692	3.9
169.06438	3.0
169.10112	5.3
171.08086	1.6
172.08797	0.8
173.05954	5.6
173.09619	0.4
174.06758	3.5
175.07462	1.0
178.07736	0.6
179.08548	3.4
179.10687	0.5
181.05048	0.4
181.06374	1.5
182.07233	3.5
183.04379	0.4
183.08064	1.5
185.05974	4.8
186.06744	8.2
187.07532	7.2
187.11124	1.3
189.08965	0.5
195.08031	0.6
196.05182	1.6
197.05965	7.2
197.09608	7.3
198.06747	0.7
199.07521	2.5
200.04640	1.1
200.08298	12.7
201.05463	2.0
201.09090	3.3
207.08237	0.6
207.10138	1.1
210.06783	2.0
211.07411	0.5
213.05453	4.9
213.09007	1.1
214.06223	23.0
215.07002	2.5
215.10651	39.4
216.11063	1.2
225.05563	0.4
225.09117	7.5
225.11182	0.7
226.09344	0.4
228.04114	1.5
228.07730	0.6
243.06638	5.9
243.10141	100.0
244.03656	1.2
244.10428	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1014
Annotation	Viteralone
Peak:m/z	Relative Intensity
50.27602	0.3
50.50862	0.4
55.01848	1.0
55.05481	1.2
57.03417	0.6
57.07059	0.7
63.00011	0.4
67.05478	1.1
69.03407	0.6
69.07064	0.5
69.91373	0.9
69.91783	2.1
71.04984	0.7
76.98027	0.3
79.05470	0.4
81.03416	0.4
81.07032	1.6
83.08633	0.5
85.06512	0.5
91.05457	0.9
95.04939	0.7
95.08573	0.7
97.06511	0.5
99.14703	0.4
105.07008	1.2
107.08564	0.5
109.10115	0.8
111.08093	0.5
111.76323	0.3
115.05387	0.9
117.06988	1.0
119.08474	0.4
123.04402	1.7
123.11674	0.4
128.06221	1.1
129.06970	1.7
131.08522	1.0
133.10164	0.6
139.03893	0.7
139.05321	0.5
140.06203	2.2
140.28618	0.4
141.06976	3.6
143.08533	0.6
145.06456	0.9
145.10066	0.5
147.04391	0.6
152.06268	0.4
153.06970	1.7
154.07785	5.0
155.04955	0.5
155.08508	1.5
157.06459	1.2
157.10106	0.4
158.07199	1.1
159.07986	1.2
159.11700	2.1
160.05174	1.6
160.27597	0.4
161.05951	1.1
165.06972	0.7
167.08542	1.4
168.05663	4.0
169.06427	2.9
169.10104	8.1
171.08118	1.1
172.08821	1.3
173.05971	5.6
173.09659	0.6
174.06747	4.7
175.07507	1.5
178.07773	1.1
179.08525	4.6
181.04988	0.6
181.06459	1.5
182.07256	4.9
183.08029	1.7
185.05940	5.2
186.06726	9.1
187.07501	9.3
187.11169	0.8
195.08107	1.2
196.05199	1.7
197.05942	6.4
197.09592	8.4
197.10966	0.2
198.06747	0.5
199.07521	3.0
200.06416	0.7
200.08287	14.5
201.05463	1.8
201.09079	4.4
207.08023	1.5
210.06721	3.0
213.05446	3.5
213.09030	1.1
214.06218	24.2
214.09698	1.0
215.07022	3.0
215.10645	52.0
216.11057	1.5
221.31886	0.4
225.09068	11.3
225.12636	0.4
225.14836	0.7
232.09683	0.5
243.10136	100.0
244.03723	1.1
244.10472	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0649
Annotation	Moracin M
Peak:m/z	Relative Intensity
55.01840	0.2
60.16861	0.2
67.05473	0.5
69.03427	0.2
70.93712	0.5
71.36230	0.2
74.11990	0.2
79.05480	0.2
81.07054	0.9
81.28156	0.2
87.51156	0.2
91.05463	0.2
93.07005	0.3
95.04962	0.3
95.08593	0.3
103.05424	0.2
105.03362	0.5
105.06973	0.3
107.04891	0.2
107.08562	0.3
117.06994	0.3
119.04913	0.2
121.02864	0.6
131.04865	0.3
132.07791	0.2
133.10100	0.2
139.15283	0.2
144.05664	0.5
145.06451	0.4
147.04369	1.0
149.05841	0.2
155.04880	2.9
171.04376	0.8
172.03703	0.3
172.05179	5.0
173.09439	0.3
175.03847	0.5
183.04376	3.5
187.07498	0.3
197.05957	0.6
199.03917	0.2
200.04654	13.3
201.05354	0.7
211.03853	2.5
212.04660	2.4
213.05489	0.4
215.03191	0.2
215.07018	0.4
215.10451	0.2
215.14221	0.2
228.04138	30.8
229.04660	0.6
243.06491	100.0
244.06856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1013
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
53.03923	1.5
55.01867	6.5
55.05499	2.5
55.93499	1.3
56.96564	1.4
57.03435	2.3
57.07067	1.9
61.02906	2.2
65.03916	3.4
65.86816	1.0
67.05489	5.2
69.03413	4.4
69.07059	1.5
70.06589	3.5
70.91191	1.2
71.04969	2.2
71.79912	1.6
72.93769	3.6
77.03901	1.5
79.05471	3.1
81.03397	2.3
81.07052	5.7
83.04948	1.3
84.04510	1.6
84.08131	16.0
85.02906	2.6
85.06523	1.4
86.09705	2.9
89.03875	1.4
90.94793	1.8
91.05466	27.3
93.07035	3.2
95.04961	11.8
95.08601	4.1
97.02890	2.6
97.06535	4.0
98.97602	1.4
99.04402	2.3
105.07027	5.5
107.04916	8.0
107.08569	2.3
107.96368	1.2
109.06522	5.9
110.03632	1.9
111.04412	2.8
115.05463	2.7
116.98599	2.4
117.06976	2.8
118.04145	1.7
119.04929	35.2
119.08582	5.3
121.06497	10.6
121.10126	3.0
121.49362	1.1
123.04427	7.7
123.08060	3.0
125.05967	5.6
128.06198	2.3
129.06978	3.5
131.04921	2.2
131.08562	1.9
133.02856	3.4
133.06500	4.2
133.10127	4.5
134.03641	2.1
134.99631	1.9
135.04405	3.6
137.05940	7.4
140.04672	13.0
141.06949	11.5
143.08536	2.6
145.06468	4.6
145.10066	1.4
147.04395	2.3
147.08009	8.4
149.02356	1.9
149.05974	9.4
149.96182	1.3
150.96910	1.6
151.03943	1.8
153.05664	2.1
153.06960	23.4
154.07790	3.8
155.07045	13.8
155.08557	23.6
157.06488	1.9
159.08011	1.4
165.05557	4.3
165.06975	90.3
165.09215	2.9
166.07425	3.5
167.08412	1.5
168.05753	3.8
169.04973	2.3
169.06442	3.2
169.08609	1.2
172.92352	1.4
179.07074	2.0
179.08572	2.4
179.10664	2.1
180.04153	3.7
181.04956	11.3
181.06488	4.2
182.07288	4.8
183.08026	88.4
184.08383	2.1
187.07594	1.6
189.09113	2.1
193.04915	3.3
193.06482	5.7
193.07762	4.4
195.06494	1.6
195.08165	1.9
197.05988	4.7
197.07980	2.9
197.09633	5.9
197.13303	1.5
199.07555	1.7
201.09137	2.6
207.06528	3.5
207.08342	2.1
207.10184	5.6
210.06779	1.7
211.07512	100.0
212.08249	5.0
215.07059	2.5
215.10542	2.2
223.09229	1.8
225.05637	2.2
225.07533	4.2
225.09152	4.0
225.11264	4.8
228.07901	2.3
243.06555	10.3
243.10202	58.7
243.13914	2.8
243.17290	4.9
244.10501	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	Moracin M
Peak:m/z	Relative Intensity
55.01850	0.1
55.05487	0.1
57.03407	0.1
67.05485	0.3
71.81113	0.2
81.07032	0.4
89.40660	0.1
92.02611	0.4
95.04958	1.4
95.08577	0.3
105.03364	0.3
107.01298	3.6
112.52203	0.1
115.05418	0.2
115.28781	0.1
116.06218	0.1
123.04417	0.8
123.11659	0.2
125.02275	0.1
125.05952	0.1
127.19186	0.1
128.06172	0.3
135.04407	1.5
144.05670	0.8
145.06456	0.2
153.01778	0.2
155.04892	0.8
156.05617	0.2
159.08014	0.4
171.04372	0.5
172.05183	1.9
173.05762	0.1
183.04367	0.5
184.05179	0.4
187.07513	1.1
197.06084	0.3
200.04657	22.7
201.05330	0.7
201.82585	0.1
211.03816	0.3
212.04691	0.5
213.05414	0.3
215.06993	3.7
228.01852	0.3
228.04146	7.2
243.06493	100.0
244.06856	1.3
248.89053	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	243.0651
Annotation	Moracin M
Peak:m/z	Relative Intensity
54.02460	0.2
54.53657	0.2
63.30826	0.2
69.69289	1.5
98.21420	0.4
110.77144	0.2
114.09506	0.2
121.02058	0.4
121.02860	5.0
124.99503	0.2
125.54610	0.2
135.86325	0.2
139.19168	0.2
144.05716	0.4
158.03622	0.5
172.05231	0.9
177.72899	0.2
186.03096	0.5
199.03862	0.6
200.04668	15.4
201.04948	0.3
212.04602	0.3
215.06998	0.3
228.04156	31.1
229.04424	0.3
243.06509	100.0
244.06871	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	0.2
58.07260	0.1
59.52449	0.1
65.03931	3.7
66.59377	0.2
67.05483	0.4
68.99783	0.2
69.62750	1.5
81.07068	0.4
91.05460	0.2
95.04935	0.2
98.21442	0.3
100.11243	0.3
103.05473	0.8
105.03374	0.4
109.10069	0.2
111.04424	1.6
114.65035	0.1
114.81292	0.2
118.59193	0.2
119.04909	0.2
121.02831	0.5
121.03955	0.6
123.07996	0.2
123.11810	0.2
130.82451	0.2
131.04935	1.5
142.15910	0.9
147.00739	0.2
147.04379	0.3
159.04390	0.9
184.20685	0.2
186.22166	0.3
187.03883	2.9
192.51306	0.2
200.04648	0.2
215.03372	11.0
216.03909	0.2
228.04158	0.3
242.28415	2.4
243.02866	100.0
243.28671	0.8
244.03314	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	242.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31061	0.7
55.01865	0.8
55.05486	1.2
56.17588	0.6
56.96551	2.1
57.03415	0.8
60.03577	0.6
61.00861	0.9
61.01141	12.2
69.03415	0.9
69.07058	1.7
70.06583	2.0
72.93784	0.7
74.06085	1.0
78.03781	30.2
78.99152	0.6
81.03407	0.9
81.07043	0.8
83.06112	1.7
83.08609	0.7
84.04469	1.8
84.08131	1.9
85.02892	2.4
86.09693	1.7
91.05472	1.1
92.52264	0.5
93.07020	1.1
95.04963	11.7
97.02863	1.0
97.06535	0.9
98.97582	2.2
110.07164	0.6
115.03893	1.0
115.75159	0.5
116.98612	2.1
121.06521	1.4
123.04416	100.0
129.10133	0.6
130.05009	1.6
134.05940	0.7
134.99658	1.6
138.05475	0.7
145.04924	1.0
146.99689	0.6
147.07677	0.8
150.09146	1.6
150.96843	0.7
152.07068	1.0
155.04643	0.7
162.05522	0.7
163.03871	3.0
165.05458	47.6
166.05879	0.8
176.98584	0.6
177.00655	1.0
178.08685	0.7
189.03870	1.1
195.03601	0.7
196.09647	6.9
210.08701	0.8
217.09151	0.6
219.01804	1.7
224.09233	0.8
237.00734	1.0
237.02832	2.5
242.04727	0.7
242.10088	12.0
242.15187	1.4
242.19040	0.6
242.24858	0.8
260.04480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45412	1.0
54.98642	1.0
56.96558	73.6
57.03434	0.8
58.06585	2.2
60.78442	0.8
64.89921	0.9
69.03400	1.9
69.16922	0.8
71.02322	1.8
71.02695	2.0
71.95255	2.4
73.02923	1.4
73.06551	1.1
74.97599	1.2
84.08127	1.2
84.79449	0.9
85.02895	3.3
86.96183	0.8
97.02889	3.9
98.97571	100.0
106.66090	0.9
115.00685	35.4
116.98608	97.2
119.01914	6.1
119.03589	1.0
123.04426	1.2
131.01886	1.5
132.04433	1.2
133.01717	25.1
134.99643	68.4
137.02863	1.8
140.00191	1.8
140.04134	1.0
140.98595	5.3
146.99567	1.1
151.02783	2.7
152.07108	1.1
153.00681	10.8
155.04634	4.3
157.01683	5.9
158.01245	3.3
158.99632	36.9
159.03299	1.4
161.04628	3.7
163.03897	1.6
164.05231	1.7
170.05162	22.3
170.06573	1.6
170.55371	1.7
173.01279	1.3
173.02864	1.1
175.02762	35.3
176.02231	1.0
177.00693	79.9
177.04326	3.4
178.01071	0.9
181.56010	2.4
182.99834	0.9
189.00734	1.4
193.03851	11.9
195.01756	14.7
195.05389	1.5
196.09695	4.1
200.02330	3.6
201.00710	10.7
201.02454	5.2
219.01753	20.3
219.03549	5.8
237.02797	12.2
242.10228	6.1
242.15758	15.4
255.03943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1795
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
54.41711	0.7
55.05510	2.3
57.03436	2.9
57.07067	100.0
59.65621	0.7
63.28478	0.7
67.05509	2.6
69.03407	1.4
69.07061	4.7
70.06583	0.9
71.04970	5.2
71.79424	1.1
74.66585	0.8
79.05498	2.4
81.07050	7.8
83.01338	1.6
83.04980	0.9
83.08608	1.4
84.08105	0.8
85.02869	0.9
85.06529	15.7
85.88498	0.8
91.05471	2.3
93.03722	1.5
93.07039	3.3
95.04967	1.6
95.08583	5.5
97.06515	1.5
97.10167	1.5
99.08072	0.8
105.07008	1.8
107.08590	2.1
109.06514	3.1
109.10136	1.5
111.04438	1.3
111.08114	1.1
111.11730	1.0
113.05946	1.4
113.09637	14.5
117.06982	1.5
117.71871	0.7
119.08585	1.6
121.10134	3.8
123.08053	10.6
123.11665	0.9
125.09639	1.5
127.07537	25.9
128.06181	1.0
129.07014	1.6
131.08575	1.2
134.99677	1.0
135.11694	1.3
137.09650	1.4
139.11168	15.3
141.06950	1.1
141.09081	12.8
142.07785	3.0
143.08588	2.2
145.10127	1.6
151.11147	1.1
152.06195	2.5
157.06468	0.9
157.10081	1.9
157.12233	1.0
159.11732	0.9
165.07133	0.9
167.08597	1.8
170.07266	1.2
171.08080	1.3
171.11710	1.0
177.16322	1.0
185.09644	3.2
195.08063	3.7
195.11861	0.7
198.06740	3.6
199.07547	1.5
205.12341	0.8
213.09023	4.2
213.12509	1.2
223.07584	1.8
223.13463	1.4
223.16899	34.1
226.06256	1.3
227.09175	1.5
236.78494	0.7
240.69685	1.1
241.08566	76.8
241.12195	4.1
241.17924	50.8
242.08852	4.4
242.18173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1796
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
55.05507	1.4
57.03432	2.5
57.07068	100.0
58.07427	0.8
59.04993	1.0
67.05497	1.3
69.03418	1.0
69.07057	2.3
70.09299	2.5
71.04986	5.5
71.08617	0.6
71.23381	0.5
79.05493	1.7
81.07047	5.9
81.57454	0.7
83.08639	1.1
85.06532	19.1
93.07040	1.8
95.04965	0.8
95.08585	3.3
97.10147	1.3
99.08096	1.2
105.07059	0.6
107.08577	1.5
109.06508	1.9
109.10152	1.0
111.08045	0.7
113.09634	16.8
119.08587	0.8
121.10110	2.8
123.08063	13.4
123.11713	0.7
127.07541	28.8
129.67932	0.6
135.11768	0.5
137.09598	2.1
139.11162	17.1
141.09088	14.0
147.11740	0.6
149.09673	0.5
149.13284	0.6
151.11189	1.7
167.06955	0.6
169.12236	0.7
171.83624	0.5
181.08701	0.8
185.13234	0.6
223.16901	39.4
241.04918	0.9
241.08626	0.8
241.17949	51.8
242.18333	1.0
242.28394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91034	0.3
55.01852	0.5
55.05497	0.3
56.96555	5.4
57.03419	1.1
57.07074	0.3
58.06592	13.3
61.02905	1.1
62.06064	0.2
67.05468	0.4
69.03427	1.5
69.07064	0.3
70.06578	2.5
71.04967	0.5
72.08135	0.7
73.02902	1.4
78.03779	0.7
81.03392	1.1
81.07056	0.6
83.04950	0.4
84.04478	0.7
84.08126	7.6
85.02897	3.2
85.06529	0.5
95.04947	0.3
95.09547	0.2
96.04460	0.2
97.02885	1.9
97.52076	0.5
98.06054	0.4
98.09666	1.2
98.97570	12.7
99.04466	0.6
101.00833	0.4
104.10728	4.1
109.02863	0.5
110.01268	0.4
110.97552	0.7
115.00655	0.9
115.03917	0.3
115.52098	0.3
116.00197	0.2
116.07073	0.3
116.98607	12.2
119.01884	2.2
121.01673	0.2
123.04449	1.5
125.01823	0.3
127.03883	1.1
128.02310	0.4
128.10698	3.6
128.98624	1.3
130.52599	0.3
131.00194	0.3
131.01883	0.6
133.01685	0.8
134.99637	7.6
137.02869	0.6
140.00174	1.4
140.98602	0.3
143.00180	0.5
143.01843	0.5
144.10152	0.8
145.01608	0.4
145.04976	0.4
145.06017	0.3
146.02321	0.4
146.99591	0.9
149.02809	0.5
151.02684	0.3
152.02252	0.4
152.07056	0.6
153.00661	1.2
155.02853	0.4
155.04601	0.4
158.01195	3.5
158.99643	2.6
160.53619	1.1
161.01210	0.7
161.02974	1.2
163.04138	0.4
165.05479	0.8
168.10146	0.7
169.04382	0.5
169.54150	0.4
170.03378	0.5
170.99666	0.4
173.01260	0.3
173.02951	0.7
174.04396	0.3
175.02742	1.5
175.04219	0.4
176.02278	1.8
177.00699	5.9
182.03352	1.1
182.99808	0.4
189.00647	0.9
189.04034	0.5
191.03862	1.9
193.03856	0.6
195.01764	2.0
196.09668	5.1
200.02301	1.4
200.04390	2.0
201.00641	0.7
201.02457	0.9
203.03928	0.5
205.01936	0.3
209.05000	0.6
213.15936	0.4
218.03452	0.7
219.01717	1.8
219.03532	1.0
221.03149	0.3
231.01443	0.3
237.02803	1.6
241.15436	100.0
242.15816	1.3
255.03879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1066
Annotation	CMPF
Peak:m/z	Relative Intensity
54.93861	0.8
55.01856	1.2
55.05489	2.6
57.03163	1.1
57.03424	10.4
57.07048	3.8
65.03919	2.3
67.01857	1.2
67.05153	1.6
67.05494	22.8
68.99783	1.6
69.03422	1.6
70.53158	3.5
79.05473	2.4
81.07054	4.8
81.07427	0.8
83.01330	9.2
83.04967	1.8
85.06528	55.6
91.05445	5.7
93.07044	4.8
98.21554	1.0
99.08104	1.4
103.05383	1.0
107.04903	1.2
107.08549	1.4
109.06482	6.5
111.04401	3.1
115.05473	1.0
117.06992	1.3
121.06495	14.0
121.10085	1.1
123.08041	1.6
125.05966	1.9
127.03907	3.9
127.07530	13.7
131.08508	4.9
133.06395	1.0
135.04369	2.2
135.08058	5.7
139.03885	8.6
139.07460	1.1
140.04610	1.1
141.06976	1.1
144.05635	1.0
147.17789	1.0
148.99838	0.8
149.05962	5.3
149.09598	2.4
153.05444	48.3
155.03363	10.7
156.04160	5.8
157.04910	4.0
159.08035	5.3
161.05942	1.6
163.03873	1.9
163.07504	6.6
167.03325	4.2
167.07018	100.0
168.07324	1.8
169.04930	2.6
169.06386	1.2
177.05412	3.2
177.09096	6.4
179.07024	2.3
181.04971	2.6
181.08572	50.2
183.02774	1.0
183.06487	1.9
185.04428	9.9
187.07497	8.2
190.06248	2.7
193.04887	1.6
194.05661	6.1
195.10167	8.0
205.08574	56.3
206.08949	1.6
223.09616	61.8
224.09866	1.1
241.10661	96.1
242.11087	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1067
Annotation	(-)-Cycloepoxydon
Peak:m/z	Relative Intensity
55.01877	0.9
55.05507	0.6
57.03427	0.7
57.07070	4.3
59.04998	1.0
65.03945	0.5
65.21904	0.3
65.25484	0.3
67.01858	0.5
67.05505	1.1
69.03433	0.8
70.93215	1.1
79.05492	1.9
81.07072	0.4
83.00932	0.4
83.01326	2.2
83.04974	0.9
85.02901	0.5
85.06539	2.1
91.05492	1.1
91.89758	0.4
93.07055	1.0
95.01324	1.3
95.04937	0.8
107.04951	1.8
107.08572	0.6
111.04421	3.6
119.04921	1.2
121.06524	1.9
123.04411	0.7
125.05966	1.0
129.07065	0.4
131.08554	2.3
135.04373	3.8
137.05994	0.4
139.03882	6.8
141.05458	0.4
143.08559	0.6
144.63918	0.4
145.02812	0.9
149.09615	1.1
150.63412	0.4
153.05446	12.1
157.04948	0.8
158.34866	0.3
159.08038	3.1
163.03893	13.7
163.07562	0.7
165.05489	0.8
167.03368	2.1
167.07014	1.1
167.08382	0.4
169.04951	7.5
177.05475	1.3
177.09070	1.9
179.07088	0.4
180.04169	1.0
181.04941	21.4
181.08510	0.9
183.02887	2.0
183.06543	1.3
185.04439	61.5
186.04816	1.0
187.07509	2.8
190.06279	0.6
194.05748	0.6
195.06422	0.5
195.10181	2.0
199.05969	3.6
199.11180	0.6
205.08571	7.2
208.07201	0.6
213.12555	0.4
223.09621	12.4
226.09729	0.6
241.10664	100.0
241.15710	4.1
242.11020	2.6
251.61327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1067
Annotation	(-)-Cycloepoxydon
Peak:m/z	Relative Intensity
50.57024	0.6
52.93945	0.5
53.03921	0.6
55.01846	0.8
55.05485	1.9
57.03413	1.0
57.07068	5.5
57.61252	0.5
59.04967	1.2
65.03928	1.2
67.01838	0.6
67.05463	2.4
69.03384	1.2
69.07037	1.1
71.04939	1.0
71.80606	0.7
75.88727	0.5
79.05482	3.1
81.07005	2.3
83.01326	3.2
83.04923	1.6
85.02866	1.1
85.06528	3.6
85.23897	0.5
91.05433	2.1
93.06986	2.0
95.01265	1.5
95.04874	0.6
95.08563	1.5
97.06472	0.7
97.10139	0.8
99.04420	0.6
105.06992	0.9
107.04906	2.6
107.08549	1.5
109.06446	0.8
111.04409	4.1
117.06976	0.8
119.04884	0.9
119.08509	0.7
121.02740	1.0
121.06483	2.6
121.10069	1.4
125.05900	2.1
128.06136	1.1
129.06906	1.6
131.08484	2.4
135.04391	4.1
135.08023	0.5
139.03867	8.4
139.11157	0.7
141.05397	0.7
141.06927	0.9
142.07684	0.6
143.08466	2.4
145.02771	1.2
145.10043	1.3
149.09612	1.1
150.03093	1.1
153.04269	0.8
153.05443	15.2
153.06732	0.5
155.03284	0.8
155.08438	1.6
156.04143	0.7
156.09242	0.9
157.04976	1.2
157.10109	2.7
159.08032	2.8
161.06081	0.6
163.03891	15.2
163.07454	0.9
165.05652	0.5
165.06960	2.8
166.07910	0.5
167.03326	2.3
167.06923	2.5
167.08446	1.4
169.03650	0.6
169.04947	8.2
169.09944	0.8
170.10716	0.8
171.07941	1.1
171.11543	1.6
177.05452	1.4
177.09111	2.6
179.08447	0.5
180.04103	1.1
180.09251	1.7
181.04936	21.3
181.08414	0.9
181.10002	0.7
182.10805	1.3
183.02888	2.7
183.04242	0.5
183.06389	1.2
183.07918	0.9
184.03194	0.6
185.04430	64.0
185.13158	1.7
186.04691	1.2
187.07544	3.5
194.05640	0.8
195.06396	1.0
195.10065	2.0
195.11595	3.9
197.13150	1.0
198.10374	1.4
199.05995	3.4
199.07520	0.8
199.11037	1.4
203.81351	0.5
205.08603	8.7
211.07413	0.9
213.12700	3.7
216.33081	0.6
223.09485	12.5
223.11166	1.6
226.09737	1.8
239.49969	0.6
241.10539	100.0
241.15730	4.6
241.19463	3.6
242.10789	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	241.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.1
56.96554	20.6
57.03436	1.5
57.07082	0.7
58.06592	14.0
61.02906	1.3
67.69286	0.7
69.03407	3.0
70.06577	2.7
70.08504	1.5
70.08924	2.7
71.04961	1.2
71.07405	0.7
73.02897	1.8
74.97573	1.0
81.03400	2.1
83.04942	1.5
84.04476	1.2
84.08131	6.4
84.81454	0.6
85.02895	5.7
97.02879	3.7
98.09670	1.6
98.97564	37.2
99.04425	2.2
101.00822	1.2
110.97551	1.4
113.02350	0.9
115.00682	5.3
116.98604	31.7
119.01881	3.9
127.03893	3.7
128.02298	2.6
128.10695	3.1
128.98582	1.6
131.01831	1.0
133.01718	3.4
133.03311	0.9
134.05881	1.0
134.99638	19.7
137.06541	0.9
138.05255	1.6
140.00165	2.2
143.00145	1.3
143.01859	2.4
144.10118	1.0
145.01665	0.9
145.03375	1.0
145.04941	1.3
146.54988	1.2
146.99535	1.3
147.05791	4.3
147.55852	0.9
148.03845	1.7
149.01161	1.1
151.02748	0.9
151.53090	0.9
152.07016	1.0
153.00684	2.3
154.03806	4.3
154.53993	1.0
155.04637	1.3
157.02541	1.0
158.01245	5.9
158.99596	7.5
160.06578	0.8
161.02896	2.3
163.02704	1.0
163.04254	3.0
168.10188	1.2
169.04376	2.7
170.05164	1.8
170.99637	0.9
173.02849	0.9
174.99051	1.0
175.02766	4.9
176.02275	1.8
177.00684	16.7
177.02309	1.0
182.01234	1.0
185.06514	0.9
189.00504	1.2
189.02306	0.8
191.03897	1.5
193.00143	0.8
193.03795	2.0
195.01663	5.1
196.09697	5.3
198.04480	1.0
200.02287	3.3
201.00670	2.5
201.02396	1.7
209.03731	1.3
217.00079	0.8
218.03329	1.4
219.01730	3.7
219.03542	1.7
221.05061	1.4
227.03877	0.7
237.02768	3.5
241.11313	2.8
241.15427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21896	0.5
51.57887	0.6
55.01847	0.7
55.05507	0.9
56.96557	9.3
57.03420	3.1
58.06319	1.2
58.06592	15.4
61.02922	2.8
69.03411	3.2
70.06564	1.9
71.04967	1.0
71.79685	0.6
71.80135	0.8
73.02898	4.1
79.05495	0.8
81.03418	1.2
81.07040	1.4
83.04955	1.2
84.04482	1.4
84.08131	9.6
84.96013	1.1
85.02892	7.5
85.06543	0.7
88.51597	0.7
93.07000	0.6
95.04906	0.7
97.02892	3.1
97.52081	1.0
97.82288	0.6
98.09674	1.5
98.97573	24.6
99.04439	1.2
101.00894	1.0
104.01260	0.7
104.10722	2.0
110.01277	0.9
110.97554	1.7
111.04398	0.6
113.02335	1.0
115.00631	1.0
115.03925	0.6
116.98604	21.6
119.01913	3.5
122.99507	0.6
123.04400	1.4
126.05485	0.6
126.07484	0.6
126.70370	0.6
127.03890	2.0
128.02254	1.6
128.10710	3.9
128.98561	2.5
131.01869	0.9
133.01704	1.2
133.03517	0.6
134.99638	14.3
135.04459	0.6
137.02902	1.4
140.00206	1.9
140.98572	0.6
143.00131	0.8
143.01826	1.6
144.10202	1.6
145.03442	0.6
145.04889	1.1
145.05969	0.6
146.99606	1.2
148.03731	0.8
149.02882	0.7
151.04001	0.8
152.02280	1.1
152.07086	0.7
152.65247	0.7
153.00652	1.8
158.01242	7.6
158.99641	2.9
160.53610	1.7
161.01199	0.7
161.02888	1.7
163.03839	1.3
168.10182	0.8
169.04471	0.7
169.54236	0.9
170.99716	0.7
173.02907	1.0
175.02748	1.8
176.02277	2.5
177.00708	11.5
181.05006	0.8
182.01184	0.8
184.32175	0.6
189.00644	1.9
191.03862	3.3
195.01747	3.3
196.09680	4.3
200.02293	3.5
200.04353	3.3
200.53154	0.7
201.00673	1.6
201.02423	1.0
203.03920	1.0
209.05006	1.1
211.71443	0.6
216.99890	0.8
218.03325	1.5
219.01732	2.6
219.03528	1.5
220.04053	0.8
230.01740	0.8
235.15755	0.6
237.02811	3.3
241.15446	100.0
242.10114	0.9
242.15712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05495	0.9
56.86658	0.5
56.96306	0.5
56.96560	7.1
58.06593	14.0
60.95821	0.5
68.37807	0.4
69.03410	1.2
69.07073	0.6
69.10822	0.4
70.06580	2.0
70.82116	1.0
70.82478	0.9
71.04969	0.8
71.95200	0.5
73.02897	1.1
81.03393	1.2
81.07053	0.6
83.04970	0.7
84.08131	8.6
85.02896	3.3
95.04911	0.4
95.08628	0.6
97.02875	2.1
98.09660	1.2
98.97569	19.0
110.97524	0.7
115.00634	0.8
116.98606	18.2
119.01821	0.7
127.03905	1.0
128.10718	3.1
128.98584	0.5
133.01703	1.1
134.99637	11.1
135.04349	1.0
135.09114	0.4
138.09062	0.6
140.00172	1.6
140.98610	0.6
144.10161	1.3
145.01700	0.7
145.05008	0.7
146.99525	0.7
152.97151	0.5
153.00723	1.6
154.03833	0.7
155.04633	1.6
158.01213	4.3
158.99629	2.1
160.06512	1.3
161.01166	0.5
163.02785	0.5
163.03860	2.9
164.04144	1.0
168.10236	1.0
169.04414	2.2
169.54558	0.5
175.02754	1.9
176.02306	1.5
177.00699	8.0
177.05980	0.5
178.04926	0.9
188.55086	0.4
189.00652	0.6
192.02051	0.4
195.01773	3.5
196.09698	4.6
199.07343	0.6
200.02322	1.2
201.00742	1.0
207.01653	0.6
213.15977	0.6
219.01685	1.2
236.01187	0.7
237.02867	1.1
241.15445	100.0
242.10065	0.7
242.15744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	10.8
70.32796	10.1
81.54272	2.2
84.96077	2.5
98.20818	2.5
98.97575	22.0
116.98614	16.5
119.01948	5.1
124.99090	2.6
125.85551	2.2
134.99660	8.4
135.20456	2.3
136.93089	3.2
137.02937	2.7
138.96483	2.7
141.00485	2.8
143.00195	11.9
147.05077	2.5
154.94243	3.0
156.96184	3.5
156.97467	73.1
158.01271	2.8
158.03619	2.9
160.90750	2.6
161.01273	4.9
169.01871	4.5
172.95192	4.8
173.33446	2.2
174.98534	88.1
177.00644	3.4
179.99141	5.6
180.97389	2.7
181.49063	2.2
183.00659	3.2
196.01526	7.3
198.00156	5.1
198.98552	40.4
206.01050	2.2
216.96317	5.5
216.99629	100.0
217.05678	2.6
222.00360	2.7
222.05234	3.3
228.03148	2.6
231.01714	11.2
234.99690	4.5
237.52374	3.1
239.98187	3.1
240.02019	9.2
240.06273	4.2
240.09175	2.8
258.02997	11.1
259.02499	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	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	14.4
57.08069	1.9
65.71877	1.7
66.52459	2.0
69.03403	2.4
70.47326	1.8
71.79831	2.4
71.95259	2.3
73.02930	2.2
84.17516	1.8
84.57127	1.9
98.97572	100.0
101.06015	2.1
116.98607	81.4
119.01891	5.2
134.99643	34.4
139.95471	1.8
140.00151	5.6
153.00710	7.4
156.97464	38.4
157.97542	11.3
158.01271	14.6
158.93440	2.7
158.97188	2.7
174.98508	47.7
175.98570	13.1
176.02325	3.0
176.94568	3.1
176.98293	4.6
177.00662	15.5
186.48711	3.1
190.00818	2.4
194.96550	2.0
195.01718	8.2
198.95735	2.0
198.98590	16.1
199.98625	9.7
200.98253	2.9
203.97050	8.6
204.47118	2.2
205.46333	2.2
206.47366	3.7
208.49260	2.3
212.97574	3.6
214.96130	4.8
216.99561	32.2
217.99710	17.5
218.99419	6.8
226.03085	2.4
226.46741	6.8
226.96808	2.4
227.46663	3.5
258.97067	4.0
258.99768	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.38947	1.3
55.01848	3.2
55.05508	18.0
57.03418	4.3
57.07070	11.9
59.04984	4.9
67.05194	2.2
67.05502	29.0
69.03397	3.0
69.07054	19.3
70.06575	1.9
71.04982	13.2
71.08604	4.4
71.81398	2.5
77.05265	1.3
79.05483	12.7
81.07043	44.4
83.04966	3.6
83.08606	8.0
85.02888	2.7
85.06535	39.1
89.05991	1.8
91.05472	8.2
93.07041	24.6
94.76901	1.5
95.04948	6.5
95.08593	100.0
96.08099	2.2
97.02866	2.1
97.06516	7.0
97.10179	4.3
98.27286	1.3
99.04387	1.9
99.08090	12.1
104.81844	1.4
105.03386	2.4
105.07021	20.2
106.98868	1.3
107.07912	2.5
107.08588	34.9
109.06509	9.4
109.10139	33.1
111.08052	3.7
111.11677	2.1
113.09611	6.1
119.08564	32.2
121.06511	2.1
121.10134	45.3
123.08069	4.7
123.11700	17.9
124.02553	1.4
124.73602	1.4
125.05987	1.7
125.09633	7.7
127.11185	6.9
133.10120	16.5
135.11693	15.5
137.09605	5.1
137.13261	8.2
139.11176	4.8
141.12683	1.6
147.11650	24.2
149.13234	4.3
151.11128	4.1
155.03331	2.4
155.10614	2.3
161.09589	2.6
161.13243	10.8
163.14815	17.4
165.09125	2.8
165.12784	5.3
169.10112	1.7
175.14813	6.4
177.16385	9.6
179.10693	1.9
179.14265	3.2
181.15677	2.1
183.02820	4.7
193.15883	2.0
196.12544	1.7
203.10574	1.6
203.14334	1.8
203.17931	40.0
207.06439	1.9
220.16943	3.7
221.08092	2.0
221.11737	3.7
221.15312	5.9
221.18979	22.9
222.18399	1.7
238.17952	5.2
238.68147	7.7
239.08792	7.6
239.14519	1.6
239.18385	8.9
239.20134	7.6
239.68927	3.4
240.19505	6.2
257.62741	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.74798	1.6
55.05501	9.3
57.03423	2.8
57.07060	4.9
63.73766	2.1
67.05489	26.9
69.07059	28.8
69.67286	3.9
69.67701	10.5
71.04980	16.5
79.05465	15.9
81.07044	56.6
81.71697	2.0
83.04957	3.0
83.08611	10.1
85.06518	4.5
85.72564	1.9
91.05471	28.8
92.01181	1.8
93.07040	24.7
95.04952	2.6
95.08594	58.6
97.06528	5.5
97.10172	4.6
98.21473	3.3
105.07020	57.6
107.08585	36.5
109.06541	2.2
109.10139	78.0
111.08082	3.5
111.11751	2.0
119.08562	37.8
121.10131	27.0
123.08076	2.4
123.11696	12.5
133.10109	36.0
135.11679	30.8
137.13252	7.6
145.10165	4.1
147.11665	87.3
148.12024	2.2
149.13271	10.2
151.11111	3.8
161.13228	13.9
163.14828	6.6
165.12737	46.2
165.14050	3.4
169.10179	2.2
175.14781	9.7
177.16382	5.8
183.02910	2.7
183.11765	2.9
191.17905	22.6
197.13205	2.3
203.17924	80.1
205.54857	1.9
209.18942	3.2
221.18974	100.0
238.18120	2.9
238.68164	5.4
239.08942	3.4
239.20108	67.9
240.19598	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05504	10.0
57.03413	2.1
57.07061	6.0
59.05009	1.4
59.29033	1.4
64.07355	1.3
65.03951	1.4
67.05497	27.0
69.07063	29.3
70.06570	2.4
70.70557	5.6
71.04987	3.3
71.08613	1.6
79.05479	20.1
81.07047	74.3
82.07382	1.9
83.08610	9.4
85.02862	2.4
85.06529	1.6
89.06026	2.7
91.05473	28.8
93.07027	24.5
93.56499	1.4
95.04970	3.7
95.08594	67.8
97.06521	5.8
97.10163	7.7
99.08108	2.0
105.07020	53.4
107.08585	25.4
109.06512	3.3
109.10149	41.3
111.08083	2.2
111.11719	2.8
113.09618	2.5
115.07562	2.4
119.08560	34.1
121.10117	18.9
123.08055	3.9
123.11691	19.3
125.09602	2.1
125.13283	2.1
131.08551	2.5
133.10117	31.9
133.95326	1.3
135.11659	10.3
137.05965	6.7
137.09605	4.0
137.13251	5.9
141.05400	2.1
141.09064	2.6
145.10144	3.8
147.11667	74.4
149.13222	3.9
151.07495	2.8
151.11182	6.0
153.05420	15.0
161.06096	1.5
161.13234	19.3
163.14790	11.1
165.05478	4.5
165.12741	32.7
169.04956	18.1
175.14835	7.0
177.16374	3.6
179.07028	4.1
179.14284	9.6
183.02902	1.9
183.10074	1.4
183.11714	3.1
191.17903	2.2
203.17928	76.8
204.18333	2.2
220.17075	1.7
221.08107	6.3
221.11671	3.3
221.18987	100.0
222.18858	3.5
238.18002	2.5
238.68146	6.5
239.08936	5.6
239.12741	39.3
239.16257	1.6
239.20204	40.3
239.68835	2.3
240.19652	6.7
241.19978	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03933	2.6
55.01846	3.9
55.05500	22.0
57.03405	3.3
57.07066	12.9
59.04977	7.4
65.03938	1.9
66.71040	1.8
67.05499	37.4
68.76991	1.7
69.03396	5.6
69.07056	33.3
70.06565	4.5
70.76388	2.0
71.04980	12.4
71.08619	3.0
71.80882	3.1
72.81020	1.6
79.05487	22.8
81.03378	2.4
81.07045	63.8
82.06567	2.3
83.04971	10.8
83.08614	12.5
84.08153	2.2
85.02875	3.0
85.06534	10.6
85.10159	3.1
89.06005	6.1
91.05473	21.6
93.07032	31.2
95.04960	21.4
95.08591	100.0
96.08127	3.5
96.08855	2.0
97.06518	8.6
97.10149	8.6
99.04422	3.4
99.08080	6.1
101.05980	1.9
105.03344	2.6
105.05495	2.2
105.06329	3.4
105.07018	60.2
107.04949	2.1
107.08574	43.9
108.08123	2.8
109.05952	1.5
109.06518	18.3
109.10146	42.6
111.04412	2.6
111.08041	6.2
113.05972	6.0
117.07012	5.8
119.08566	54.4
120.32143	1.6
121.06507	4.4
121.10136	30.7
122.91749	2.0
123.08066	11.4
123.11690	21.1
125.05952	3.1
125.09601	5.8
127.07533	4.1
129.06958	2.8
131.08560	4.3
133.06451	2.9
133.08521	3.4
133.10117	28.1
135.08028	3.8
135.11662	15.7
137.09581	7.1
137.13228	6.7
139.11139	2.9
143.08543	6.4
145.10124	11.4
147.08032	4.5
147.11668	61.5
149.13223	11.1
151.07506	2.9
151.11140	7.4
157.10107	2.8
159.11671	7.2
161.09598	3.2
161.13220	26.4
162.13573	2.0
163.11160	5.5
163.14828	18.2
165.07031	2.2
165.12733	7.1
175.11206	3.9
175.14793	7.5
177.16365	20.1
179.06963	2.2
179.14287	7.1
185.13206	11.4
187.14967	2.0
197.13075	2.5
203.14293	12.1
203.17928	89.9
204.18324	2.1
220.16960	6.7
221.07910	1.9
221.15469	20.3
221.18954	40.7
228.65604	1.8
231.22884	1.8
238.17996	11.2
238.68118	13.5
239.06914	2.5
239.08931	13.5
239.12512	2.9
239.14394	2.5
239.16286	12.7
239.18466	17.4
239.20134	14.1
239.24669	2.5
239.68848	5.9
240.19559	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03934	1.6
55.01860	2.8
55.05505	17.4
57.03427	3.9
57.07065	12.4
59.04992	3.6
65.03944	1.4
67.05501	36.6
69.03426	4.6
69.07065	26.2
70.06590	5.5
70.81666	5.0
71.04980	14.9
71.08634	2.3
73.06564	1.7
79.05479	16.0
81.07050	43.0
83.04974	5.4
83.08611	10.2
85.02885	6.7
85.06538	45.8
89.06018	4.2
91.05482	10.5
93.07033	30.7
93.47137	1.5
94.06568	1.8
95.04958	8.0
95.08598	100.0
97.06540	7.7
97.10157	5.7
99.04463	2.7
99.08080	14.2
101.05961	1.4
104.73093	1.3
105.03406	2.5
105.07031	25.6
107.08584	38.2
108.08186	2.7
108.08860	1.5
109.06510	16.2
109.10143	38.7
110.09634	1.5
111.04418	3.1
111.08071	5.9
113.09634	4.5
117.06984	1.4
119.08572	32.5
120.08882	1.4
121.06509	6.1
121.10133	42.9
122.09667	1.6
123.04424	3.0
123.08023	6.9
123.11695	16.1
125.05975	1.6
125.09634	6.5
127.07534	1.4
127.11178	5.8
131.08548	3.6
133.06447	1.7
133.08594	1.4
133.10121	16.8
135.08043	4.1
135.11703	9.6
137.05975	2.3
137.09615	7.7
137.13258	4.0
139.07549	1.7
139.11154	3.6
142.07831	1.7
145.10100	2.2
147.11659	21.1
149.05916	1.6
149.09656	1.3
149.13255	3.8
151.07510	1.6
151.11140	3.2
151.14828	2.1
153.12666	1.4
153.77509	1.4
155.08517	2.4
155.10672	2.8
157.10123	1.8
161.05885	1.9
161.09657	3.4
161.13258	13.0
163.07469	1.8
163.11205	2.4
163.14801	13.5
165.07068	1.4
165.09116	1.9
165.12733	2.4
169.09940	2.0
175.11160	6.6
175.14844	6.0
177.16399	8.5
179.07042	2.8
179.10666	3.1
179.14267	4.2
181.08623	3.3
181.15852	1.6
183.11624	2.2
185.13322	1.4
193.12218	2.8
193.15852	2.1
197.13182	2.4
203.10712	6.9
203.17932	33.0
220.16968	5.8
220.85886	1.5
221.08092	2.0
221.11656	6.9
221.15501	7.8
221.17226	2.0
221.18980	16.3
222.18640	4.3
238.18036	10.1
238.68134	19.7
238.85077	2.2
239.06905	1.9
239.08942	9.5
239.12784	4.2
239.16325	2.5
239.18387	31.2
239.68961	6.6
240.19580	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78149	0.6
53.96734	0.5
55.05551	3.0
57.03477	4.5
57.07069	5.8
65.03990	1.9
66.40968	0.6
66.41747	0.5
67.05154	1.1
67.05495	28.8
69.03470	0.7
69.75513	1.9
69.75951	2.8
79.05537	2.2
81.07043	6.9
83.00621	0.6
83.01330	12.0
83.02972	0.5
83.05013	0.8
85.06532	57.8
89.05590	0.6
89.06088	2.4
91.05533	1.7
93.07063	0.6
95.05009	0.6
95.08646	1.2
97.06572	0.8
99.08087	3.2
105.07082	1.2
109.06494	8.5
109.10184	1.0
111.04452	0.8
115.84943	0.5
119.08639	1.5
121.06508	1.2
121.10167	0.9
123.08060	2.8
125.06036	2.4
127.07535	24.0
131.08560	0.6
133.08607	1.3
133.10193	0.7
135.08022	0.8
137.05948	10.2
137.09579	4.5
138.06717	2.8
139.07593	1.6
142.07796	1.2
147.08034	0.7
147.11710	1.3
149.09659	2.1
151.07526	39.0
152.07848	0.9
153.05429	4.2
154.06232	3.7
155.07008	11.3
157.10164	1.7
159.08101	1.5
160.08907	1.3
161.09564	0.9
162.06769	0.7
163.07539	1.2
164.08356	0.8
165.05440	1.2
165.09096	8.2
167.07039	3.1
175.07574	1.1
175.11217	2.9
177.09065	7.5
178.09843	1.1
179.07089	1.2
179.10664	13.2
181.08621	1.3
183.06534	7.1
183.10178	3.6
185.09558	1.2
185.96109	0.6
188.08304	4.6
191.07005	3.6
192.07784	14.9
193.08691	2.7
193.12216	16.4
194.07288	0.7
194.12524	0.6
195.10173	0.7
195.26744	0.6
202.09982	0.5
203.10657	10.2
206.09355	2.6
221.11713	99.9
222.12038	2.6
239.12746	100.0
239.18184	1.9
240.13164	3.4
240.19595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.091
Annotation	10-Norparvulenone
Peak:m/z	Relative Intensity
55.01857	0.8
55.05486	1.2
57.07063	0.6
67.05472	1.8
68.99776	2.5
69.03399	0.8
69.07046	1.7
69.69307	4.3
70.06587	0.6
70.67214	0.5
71.04956	1.2
71.08621	0.6
79.05469	2.4
81.07037	3.0
91.05453	1.5
91.18229	0.5
93.07027	2.1
95.04974	1.1
95.08574	1.7
96.08112	0.5
105.07008	2.3
107.04930	4.4
107.08604	2.4
108.08138	0.6
109.06513	0.7
109.10172	2.8
119.08545	1.1
121.06494	1.4
121.10117	0.7
123.04424	4.7
123.08018	0.8
123.11696	0.5
125.22608	0.5
129.06993	1.0
131.08586	1.0
133.10156	0.6
135.04419	0.7
135.08015	1.3
137.02312	1.2
137.05960	0.8
141.06969	0.6
145.40184	0.5
147.04393	0.9
147.08058	1.0
148.05252	0.6
149.05951	1.9
149.09628	2.7
151.03862	2.0
160.05128	0.8
161.02408	0.4
162.06801	2.5
162.07880	0.5
163.07593	0.8
165.01857	3.1
165.09155	0.7
175.07513	9.2
175.11163	0.6
177.09081	65.1
178.09435	0.8
179.03371	100.0
180.03726	0.7
190.44623	0.5
191.07069	0.6
193.08517	4.0
193.12236	0.7
195.10091	1.1
220.16933	1.2
221.08055	53.1
222.18634	0.5
238.17957	1.5
238.68134	3.6
239.08910	2.0
239.12766	0.8
239.18698	6.0
239.68695	0.8
240.19574	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	239.1274
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
55.05514	3.3
57.03428	4.7
57.07069	5.0
65.03944	2.4
66.37951	0.6
67.05496	24.4
69.96918	3.5
69.97326	1.4
71.04978	0.7
75.80239	0.8
79.05495	1.1
81.07043	6.3
83.01330	10.2
83.04986	0.9
85.06531	51.5
89.06055	1.5
91.05475	1.3
93.07023	0.8
95.08585	0.9
97.06519	0.7
99.08074	2.1
105.07053	1.5
109.06496	8.9
109.10121	1.0
114.20345	0.6
119.08612	1.1
121.06570	0.9
123.08052	2.7
125.05987	2.8
127.07539	20.0
137.05959	9.6
137.09604	3.4
138.06744	2.6
139.07497	0.9
139.11209	0.7
141.09181	0.9
142.07745	0.9
147.07983	0.8
147.11632	1.0
149.09601	2.4
151.07524	36.4
151.11156	0.8
153.05453	2.2
154.06218	3.6
155.07019	11.4
157.10147	1.7
159.07950	0.9
160.08846	0.6
163.07497	0.9
164.08327	1.7
165.05481	1.2
165.09088	7.0
167.07018	2.6
175.07545	1.4
175.11203	2.3
177.05499	1.2
177.09088	5.0
178.09906	1.1
179.07045	1.0
179.10649	11.4
181.08583	1.5
183.06516	7.4
183.10152	4.1
188.08316	4.2
191.07030	4.2
192.07768	11.6
193.08521	1.3
193.12218	18.7
203.10666	7.8
206.09322	3.1
220.16953	1.1
221.11705	91.6
222.12109	1.8
230.68367	0.6
238.17920	1.0
238.68106	1.3
239.12752	100.0
239.18300	3.9
239.68956	1.7
240.13115	2.7
240.19576	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	239.091
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
53.03923	0.6
55.01855	0.9
55.05491	2.6
57.07053	2.0
65.03946	1.0
67.05493	3.9
68.99764	2.4
69.03414	1.6
69.07047	2.7
70.06577	0.9
71.04962	2.8
71.08608	1.1
71.14200	1.9
74.51661	0.7
79.05488	3.3
81.07041	6.8
82.40259	0.7
83.04958	1.8
83.08582	1.5
83.12048	0.6
85.02874	1.1
85.06493	1.0
89.06015	1.2
91.05470	2.5
93.07027	3.1
95.04985	1.3
95.08583	5.7
97.02863	0.9
97.06502	0.9
97.10197	0.8
101.06178	0.6
105.07027	4.3
107.04949	5.9
107.08565	3.4
109.06484	3.2
109.10154	5.4
111.04432	1.0
115.28842	0.7
119.04921	0.9
119.08558	2.6
119.38212	0.6
121.06461	2.6
121.10117	1.0
123.04391	4.7
123.08038	1.1
123.11725	1.1
125.05872	0.7
125.42161	0.6
129.07028	0.8
131.08548	2.0
133.10114	1.3
134.21468	0.7
135.04384	0.7
135.08015	1.4
135.11610	0.9
137.02307	1.1
137.05940	1.8
137.09599	0.8
141.09088	1.7
147.04408	2.0
147.08067	0.8
147.11681	1.3
148.04979	0.8
148.41039	0.6
149.02219	0.7
149.05959	2.3
149.09616	2.7
151.03911	2.2
151.07530	1.5
151.11166	0.9
153.05299	0.6
160.05150	1.3
161.06001	0.7
161.09615	1.0
162.06758	2.0
165.01816	4.0
166.17194	0.6
175.07532	9.0
175.11122	1.7
177.09091	60.5
179.03374	100.0
179.10643	1.9
180.03720	1.3
183.02869	0.7
183.06546	0.6
193.08594	3.7
193.12234	0.7
195.10149	1.2
196.17017	0.8
203.10670	1.9
220.16890	1.0
221.08064	51.1
221.11722	2.5
221.15312	1.1
221.17368	0.8
224.12131	0.5
238.17963	2.2
238.68211	4.6
239.08925	4.8
239.12761	2.0
239.16327	1.4
239.18655	7.3
239.69028	1.3
240.19504	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	239.091
Annotation	10-Norparvulenone
Peak:m/z	Relative Intensity
55.01843	1.9
55.05479	3.1
57.03430	4.6
57.07045	4.4
67.01839	2.0
67.05501	4.6
68.99770	1.2
69.03394	2.9
69.07035	3.8
71.01302	0.8
71.04963	1.5
71.08593	1.3
71.16811	0.9
71.81584	1.0
77.95005	1.0
79.05450	3.7
81.07058	6.4
83.01323	5.6
83.04955	2.4
83.08577	0.9
85.06491	1.9
85.10126	1.1
86.93612	0.9
89.06027	5.3
91.05468	5.8
93.07037	2.0
95.04951	1.5
95.08566	5.5
97.06459	1.4
99.04434	2.0
101.02345	1.1
103.05415	1.1
105.07008	4.5
107.04937	2.4
107.08560	1.2
109.02840	3.8
109.06467	2.5
109.10121	2.8
111.04352	1.2
115.05450	1.8
117.07020	1.6
119.04941	5.0
119.08558	6.1
121.06466	1.5
121.10085	1.2
123.04391	1.9
123.08047	1.8
123.11729	1.3
125.05946	1.6
127.03873	2.2
128.06151	1.7
129.06996	7.6
131.85497	1.1
133.06419	4.1
133.08543	2.1
137.02342	1.6
137.05943	5.4
147.04425	1.2
147.08025	7.1
151.03824	1.2
151.07462	3.1
155.03357	8.8
155.08516	1.3
156.04114	1.4
157.06509	4.8
160.05159	2.7
161.05949	5.5
165.01811	1.1
165.05389	2.8
165.09064	1.2
169.03647	1.5
169.04947	18.1
169.10054	1.0
175.07518	17.0
177.05518	5.0
179.03355	2.3
179.07043	7.2
181.04874	1.1
181.28458	1.0
183.02867	100.0
183.06459	26.2
185.05896	1.4
193.04944	2.7
193.06891	0.9
193.08548	4.6
195.06445	3.0
197.08049	10.9
197.13106	1.3
198.18385	1.2
203.06998	36.4
203.08908	2.0
206.05640	4.4
207.06522	1.5
210.05156	2.1
211.09593	4.3
211.14874	1.5
220.16884	3.5
221.08058	70.6
221.10420	4.1
221.15207	1.6
221.17194	1.5
222.08656	1.3
222.18404	2.6
229.67574	1.2
230.18159	1.2
238.18015	5.0
238.68176	12.1
239.09021	44.8
239.10854	2.5
239.14102	5.0
239.16351	1.8
239.18613	23.7
239.68913	5.9
240.19563	7.5
254.49779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05489	0.2
57.07046	0.6
67.01851	3.0
67.05482	0.8
69.07050	0.3
69.65268	1.8
70.06557	0.3
71.04980	3.1
71.08617	0.3
74.00802	0.2
79.05491	0.2
81.07033	0.5
83.01324	6.5
83.08597	0.2
86.91154	0.2
88.07016	0.2
89.05985	0.5
92.02432	0.2
93.07051	0.3
95.04928	1.1
95.08575	0.7
98.21129	0.9
99.04451	0.3
122.09592	0.3
123.04405	5.3
141.05453	3.1
151.03888	2.8
153.05548	0.3
169.04935	100.0
170.05298	0.8
180.09299	0.2
183.02794	0.3
211.09554	0.5
221.08083	1.2
221.30382	0.2
222.18425	0.2
237.33893	0.2
238.18004	0.4
238.68156	0.9
239.09016	0.8
239.14392	0.4
239.18573	2.0
239.68936	0.2
240.19569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.091
Annotation	(-)-EI 1941-2
Peak:m/z	Relative Intensity
50.53625	0.4
52.06414	0.4
53.96449	0.4
54.96636	0.3
55.01863	0.3
55.05498	1.6
57.07073	1.2
59.04995	1.1
67.01859	1.1
67.05502	2.0
68.99789	0.8
69.03436	0.6
69.07053	1.2
70.06594	0.8
70.40456	1.8
71.01355	0.5
71.04967	0.8
77.06919	0.4
79.05473	1.2
81.07043	2.4
83.01331	1.0
83.04971	4.0
83.08605	0.4
85.06524	0.5
89.06010	1.4
91.05466	1.2
93.07058	1.4
95.04900	0.5
95.08600	1.6
99.04408	0.4
105.07009	1.2
107.04943	0.4
107.08562	1.2
109.02876	1.9
109.06503	1.3
109.10142	0.9
119.08556	1.7
123.08085	0.7
123.11679	0.5
125.05928	0.5
127.03849	0.8
129.06993	1.0
133.06505	0.6
133.08591	0.7
133.10130	0.6
137.02310	1.8
137.05981	0.6
137.13292	0.6
143.08577	0.5
147.08052	1.3
147.11633	0.7
151.03896	0.5
151.07524	1.7
155.03374	4.5
155.08455	0.6
157.06461	0.9
161.05951	1.0
163.03873	1.0
165.05421	0.4
169.04965	1.2
169.10120	1.0
173.07565	0.4
175.07518	2.6
179.07034	1.0
181.04984	1.2
181.10034	0.5
183.02866	93.0
183.11723	1.1
184.03214	0.9
193.04959	0.6
193.08585	1.3
195.11755	0.7
197.13223	1.3
201.03961	0.5
203.06970	3.6
206.05650	1.1
211.14796	0.7
220.16914	1.0
221.08069	9.5
221.10657	1.6
221.17172	0.7
221.19061	0.7
222.18378	0.5
238.17990	1.1
238.68187	3.0
239.09090	100.0
239.14160	2.0
239.18445	6.1
239.68854	0.7
240.09467	0.7
240.19504	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	239.0911
Annotation	Sclerotinin B
Peak:m/z	Relative Intensity
53.00334	0.8
53.03987	1.6
55.01918	4.6
55.05318	0.6
55.05552	2.4
57.03445	0.8
57.07113	2.0
59.05024	1.0
67.05497	10.1
67.88251	0.5
68.99821	1.3
69.03421	20.0
69.07113	2.4
70.06630	0.8
71.04984	17.2
71.08642	0.6
71.48235	0.5
71.80817	0.9
72.69840	0.5
79.05485	7.2
79.14580	0.6
81.03468	1.9
81.07050	5.6
83.01393	2.2
83.05025	1.5
83.08677	0.7
85.06540	4.3
89.06071	1.5
91.05476	8.1
91.09517	0.5
93.07039	12.1
94.06630	0.8
95.04959	13.0
95.08598	9.9
96.08138	0.5
96.45713	0.5
97.02940	2.3
97.06573	1.1
97.10172	0.6
98.60438	0.5
99.04448	19.5
99.08128	0.9
103.05520	2.2
105.07027	15.5
107.04950	4.6
107.08601	3.5
108.08163	0.6
109.02865	10.8
109.06511	45.4
109.10214	2.2
111.04475	1.5
111.08110	0.7
113.05991	16.6
114.38779	0.7
115.05504	1.5
117.07067	1.8
119.05022	0.5
119.08567	6.2
121.06496	13.3
121.07278	1.0
121.10173	1.8
122.07353	1.2
123.04420	10.8
123.05224	0.7
123.08063	12.2
123.11790	0.8
125.02326	4.5
127.03915	6.8
129.07059	2.0
133.06482	13.2
133.08606	0.5
133.10158	1.3
135.04466	1.0
135.08105	1.4
135.11708	0.7
137.02325	3.6
137.05980	5.9
137.09641	2.3
139.03938	1.1
141.05479	2.9
141.09061	1.0
143.04974	0.6
145.04994	1.1
147.08043	12.9
147.09131	0.7
147.11740	1.6
149.05969	21.9
149.09680	1.1
150.06750	4.5
151.03897	7.2
151.07527	43.2
155.03415	1.5
157.04977	2.9
157.06325	0.7
158.46056	0.5
161.05963	30.9
161.13298	1.0
163.03973	2.4
163.14772	0.8
165.09113	4.2
167.03326	2.8
169.04950	29.2
169.08633	3.7
169.10014	1.0
175.07530	39.4
177.05476	0.8
177.09074	0.6
178.06244	1.5
179.07019	50.0
180.07491	0.8
185.05957	0.7
185.13098	0.6
193.08578	12.1
193.10191	1.0
197.08087	9.5
203.07014	50.5
203.17941	1.2
204.07338	0.8
220.16968	1.7
221.08069	100.0
221.19032	1.4
222.08345	1.5
230.18196	0.6
238.18005	2.1
238.68127	5.0
238.84979	0.7
239.09097	89.6
239.14217	2.1
239.18527	6.4
239.68921	1.7
239.97641	0.6
240.09380	1.1
240.19595	3.7
247.77826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
52.46850	0.3
53.03912	0.4
55.01868	0.9
55.05507	1.8
56.77951	0.3
57.03427	0.5
57.07071	1.9
64.91124	0.4
67.01853	0.7
67.05490	3.6
67.86194	0.3
68.99779	0.8
69.03423	1.6
69.06733	0.3
69.07056	2.1
69.97364	1.6
69.97778	0.6
70.06576	0.9
71.04983	12.6
71.08620	0.8
72.81658	0.3
79.05481	1.9
81.03392	0.6
81.07058	4.4
82.06580	0.4
83.04972	6.5
83.08595	0.7
85.02901	1.2
85.06535	1.1
89.06018	1.1
91.05473	1.4
93.07034	2.7
95.04958	2.7
95.08598	3.7
96.08131	0.4
97.02887	0.9
97.06516	1.2
99.04443	1.2
99.08078	0.5
101.47034	0.3
105.03393	1.4
105.07017	2.7
107.04938	0.5
107.08580	2.0
108.08079	0.7
109.02837	0.6
109.06510	1.5
109.10141	1.3
111.00764	0.3
111.04444	1.8
111.08047	0.8
113.05994	8.2
113.09575	0.3
113.28548	0.3
114.53267	0.3
117.05476	1.0
119.08575	2.2
121.06488	0.8
121.10126	1.1
122.09682	0.5
123.04406	0.6
123.08055	1.3
123.11715	1.1
125.02351	0.5
125.05953	0.5
125.09613	0.4
127.03899	33.5
131.08527	0.7
133.06494	0.4
133.10135	1.7
135.08034	0.8
135.11687	0.6
137.13240	0.4
147.08069	0.5
147.11690	0.8
149.09653	0.5
151.03864	1.2
151.07536	0.7
151.11110	1.1
153.01808	100.0
154.02130	0.5
155.04912	0.7
157.04973	0.6
157.10083	0.5
159.11652	0.5
161.09608	0.8
161.13206	0.8
165.09042	0.6
169.04942	5.1
171.02870	0.8
175.11143	1.3
175.14812	0.7
179.10596	0.6
185.13234	0.5
193.08577	0.8
193.12181	1.1
203.10774	0.6
203.14317	0.7
211.03813	0.6
220.16940	1.2
221.08047	1.3
221.11696	1.2
221.15291	1.6
221.17152	0.5
222.18500	1.0
230.18178	0.4
238.18031	1.6
238.68172	1.5
239.03659	2.2
239.09077	24.3
239.12886	0.9
239.16380	1.8
239.18686	7.0
239.68875	0.6
240.19589	3.2
241.19832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
55.05492	0.6
56.96560	7.2
67.05490	0.9
69.07066	0.5
70.06564	0.6
71.04978	0.8
71.80296	0.6
75.68260	0.5
79.05483	20.1
80.78754	0.5
84.08129	0.6
87.00819	2.7
89.03902	4.2
89.06018	1.8
90.04274	0.5
91.05499	0.6
94.06571	0.6
95.04945	1.8
97.02872	0.8
98.97541	0.7
104.03421	0.6
106.06542	100.0
107.04939	15.0
107.06857	0.9
108.05294	0.6
111.04424	0.5
117.03355	3.5
120.08076	1.8
121.02853	0.7
124.99147	1.3
132.04430	8.6
132.05357	0.9
133.08606	0.6
135.04398	35.7
136.04782	0.7
137.01816	0.8
142.04951	0.7
143.00142	4.1
145.02762	5.2
146.03201	0.6
146.05960	0.7
146.09627	0.9
147.04395	1.1
148.07552	0.8
150.05466	1.2
152.07092	2.0
161.01181	5.0
163.03888	46.9
164.04253	3.2
169.01724	1.6
170.99573	1.0
174.05498	2.6
174.12794	0.8
174.37190	0.5
179.02214	1.1
185.01231	2.5
187.02792	2.5
188.02321	0.8
189.00726	2.2
192.06525	61.7
192.10231	1.6
192.13866	1.0
193.06860	1.1
197.02841	2.3
203.02339	1.8
206.03368	2.1
207.01671	0.8
213.00705	2.2
215.03903	4.4
220.06021	2.6
224.04417	2.1
226.54552	1.0
231.01738	9.6
237.00633	0.9
238.07126	1.5
238.10765	1.1
238.14421	1.4
238.17943	4.3
239.09029	0.7
249.02794	12.0
250.03185	0.8
254.03383	0.8
255.01672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.46914	2.2
55.01860	4.7
55.05500	10.7
57.07063	5.0
59.04995	5.5
61.02901	5.8
67.05491	16.1
67.13705	2.4
69.07057	23.9
69.53479	24.9
71.04983	24.7
71.08620	3.1
79.05476	14.2
81.07041	45.8
83.04967	4.0
83.08602	12.3
85.06523	33.7
91.05476	18.2
93.07026	48.2
95.04971	6.0
95.08590	45.4
95.82817	2.4
97.06499	12.9
97.10180	3.9
99.04409	3.2
99.08084	6.6
101.05986	2.2
105.07007	52.9
107.08582	44.4
109.06497	4.5
109.10137	33.2
111.08068	19.0
113.05992	10.4
113.09658	4.7
115.52846	2.3
117.06991	6.0
119.08559	71.2
121.06468	2.6
121.10130	96.4
123.08038	4.9
123.11670	7.1
125.09604	13.8
127.11167	4.6
129.09041	3.6
131.08507	13.4
133.10098	30.1
135.11674	17.3
137.09544	4.1
139.11131	20.3
145.10106	33.6
147.11656	8.1
149.09589	3.5
149.13246	8.7
159.11676	49.4
161.11891	5.0
161.13232	100.0
163.11151	7.6
173.13240	9.5
175.14810	14.1
177.12778	5.6
177.16324	18.5
179.14365	3.8
191.14255	5.4
191.17926	5.6
201.16348	69.0
201.18161	4.8
210.94017	2.5
219.10147	8.1
219.17393	43.8
237.11154	6.1
237.18468	38.4
241.70702	2.3
256.67514	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	237.1846
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
55.05507	20.6
57.03407	2.5
57.07067	8.2
59.04980	2.2
66.98952	1.9
67.05490	9.6
68.56001	1.4
69.03435	2.3
69.07057	100.0
70.09174	9.9
71.04979	5.2
71.08666	1.7
72.80092	1.5
73.06558	2.4
77.29762	1.8
79.05471	7.5
80.68334	1.7
81.07044	29.8
83.01331	7.2
83.04954	5.1
83.08600	7.9
85.06501	2.3
88.78757	1.6
91.05461	10.6
93.07028	35.2
95.04955	3.3
95.08601	14.6
97.06516	7.3
97.10154	3.1
98.20651	1.9
101.85770	1.5
105.07016	13.8
107.08572	26.6
109.06510	17.5
109.10140	13.5
111.04429	20.7
111.08048	4.0
111.11703	25.3
117.06971	2.5
119.08561	8.9
121.06506	8.5
121.10134	26.7
123.08068	2.4
123.11694	8.0
125.05955	2.5
125.09643	2.7
131.08546	4.6
133.10100	10.2
135.08018	9.0
135.11650	14.9
137.09637	2.5
137.13231	5.2
139.07584	2.4
145.10107	12.1
147.11690	6.5
149.05939	2.1
149.09598	5.0
149.13254	11.2
151.11165	4.6
153.09103	2.9
153.12727	15.6
159.11649	9.6
161.13217	7.3
163.07550	3.4
163.11171	8.1
165.05611	1.8
165.12779	2.3
167.10599	4.3
173.09550	2.6
175.14844	5.3
176.08336	2.8
177.05479	10.0
177.09068	12.0
177.12694	4.0
177.16386	5.5
181.12164	6.6
191.10657	4.7
191.17929	8.4
195.13870	2.2
201.09090	4.4
201.16313	11.5
204.07796	3.0
210.47630	1.8
219.10130	52.5
219.17412	19.6
237.11089	37.6
237.18471	66.9
238.11734	1.8
238.17938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.00317	1.9
54.06640	1.4
55.05496	2.3
55.68171	1.4
57.07067	1.6
57.93866	1.6
67.05485	4.8
69.07056	4.9
70.83196	4.5
71.04982	100.0
79.05467	2.6
81.07048	10.5
83.08613	2.0
88.66599	1.5
89.06022	21.1
91.05489	2.9
93.07020	17.0
95.08592	3.7
97.06518	3.4
97.15938	1.4
105.07006	11.2
107.08567	12.3
107.22026	1.6
109.10180	8.3
114.33795	1.6
117.06974	1.9
119.08557	7.4
121.10106	8.9
123.11652	1.5
127.11162	20.8
133.10092	2.6
135.08073	2.6
135.11691	3.8
139.36055	1.6
139.49951	1.5
145.10112	16.9
147.11671	33.7
149.13234	55.9
151.11185	3.5
159.11679	4.4
160.64835	1.7
191.06982	1.6
201.16359	6.7
219.17421	53.6
237.14754	2.0
237.18462	13.8
238.17990	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Atlantolone
Peak:m/z	Relative Intensity
54.33952	2.7
55.05502	33.4
57.07071	13.6
63.44988	2.8
67.05493	27.8
69.03410	3.1
69.07058	77.6
69.86543	21.4
71.04981	17.7
79.05484	21.9
81.07041	100.0
83.04971	33.3
83.08606	18.7
85.02908	3.1
85.06537	7.4
87.04536	2.8
91.05484	13.8
93.07034	55.6
95.04939	10.8
95.08596	73.7
97.06520	29.8
97.10152	14.1
99.08070	5.0
105.07012	26.6
107.08575	69.8
109.06471	16.3
109.10141	57.3
111.08039	7.8
111.11705	7.8
111.18957	2.7
113.06016	3.7
117.06980	4.4
118.40061	3.5
119.08538	18.0
121.06474	13.0
121.10143	50.2
123.08037	9.4
123.11694	41.6
125.05962	4.1
125.09605	7.9
131.08513	7.9
133.10115	21.1
135.08040	13.3
135.11674	54.4
137.13231	20.2
139.11171	6.3
145.10089	31.8
147.11613	6.4
149.09586	6.0
149.13234	10.5
151.11139	5.0
153.02155	3.1
153.12695	9.4
159.11731	29.6
161.13231	12.8
163.11139	19.5
163.14821	15.5
173.13339	3.2
175.14819	4.2
177.09097	3.4
177.12704	6.4
179.14265	11.0
191.17903	49.3
201.16342	27.4
209.18974	9.1
219.10072	13.8
219.17395	46.5
237.11140	7.1
237.18454	60.2
244.13098	2.7
252.70702	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
51.40125	1.4
53.95653	1.6
55.01866	1.6
55.05500	16.4
57.03442	1.6
57.07063	10.1
59.04995	3.7
65.03931	2.0
67.05495	26.2
69.07059	37.1
69.80302	12.3
69.80706	3.1
71.04974	7.2
71.08625	1.5
78.90182	1.6
79.05484	38.6
81.07044	71.3
83.01344	3.5
83.04922	3.9
83.08594	10.9
84.10868	1.5
91.05462	21.1
93.07030	56.8
95.04950	6.9
95.08588	73.6
97.06526	5.9
97.10166	8.4
99.08063	1.5
105.07011	40.7
107.08578	100.0
109.06495	6.6
109.10139	45.3
111.08051	2.7
111.11719	4.4
115.55190	1.5
117.06990	12.1
119.08548	21.3
121.06467	2.8
121.10126	53.2
123.11685	27.2
125.09570	2.0
129.06998	2.3
130.07776	4.5
131.08537	13.0
133.10097	40.6
135.08089	3.1
135.11671	53.3
137.09633	3.1
137.13260	2.4
139.11165	5.2
141.12720	2.3
143.08528	2.3
145.10106	66.4
147.11673	7.2
149.09610	1.9
149.13225	11.7
158.10887	2.1
159.11674	27.7
160.94376	1.5
161.13251	7.9
163.11200	8.0
163.14841	2.3
164.11584	1.7
173.13177	3.5
175.14784	3.6
177.05447	4.9
177.09096	5.0
177.12817	4.2
177.16371	2.1
191.10701	1.9
191.17920	46.7
193.52986	2.1
201.16347	52.3
219.10168	18.8
219.17403	37.8
237.11113	16.5
237.16269	3.1
237.18449	20.5
244.94002	1.7
252.83513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1482
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.02375	0.5
51.92746	0.4
53.03939	0.9
53.98204	0.4
55.01869	0.8
55.05500	3.1
57.03413	0.8
57.07067	3.2
59.04981	1.7
65.03935	0.6
67.05496	5.4
69.03407	1.6
69.07064	5.0
70.92653	1.5
71.04982	2.9
79.05486	5.0
80.16425	0.4
81.03429	0.7
81.07045	10.9
83.04965	4.3
83.08598	1.9
85.02894	5.4
85.06529	2.0
91.05460	6.6
93.07030	13.8
95.04958	5.6
95.08596	6.9
97.02897	0.5
97.06517	3.9
97.10148	0.6
99.04445	3.7
99.08098	0.8
103.05438	0.7
105.07008	7.6
107.04924	1.0
107.08575	10.5
107.09255	0.9
109.06507	12.3
109.10147	5.3
111.04456	0.6
111.08060	2.9
113.09576	0.6
115.05476	0.7
117.06994	3.2
119.08571	6.6
121.06492	8.8
121.10135	8.0
123.04414	0.5
123.08073	3.2
123.11693	2.4
125.05956	0.6
125.09572	0.9
127.07543	0.6
127.11165	0.5
128.06158	0.6
129.06987	2.1
130.07710	0.6
131.08559	6.8
133.06464	0.7
133.09184	0.6
133.10123	6.9
135.08043	10.2
135.11676	5.4
136.08759	1.0
137.05960	6.6
137.09608	1.0
137.13219	0.8
139.03859	0.5
139.07512	3.3
139.11171	0.6
142.07793	0.5
143.08540	1.3
144.09305	4.0
145.10098	5.1
147.11676	3.0
149.05954	0.7
149.09604	2.8
149.13254	2.9
151.07547	3.3
151.11169	1.6
153.09074	1.4
155.03409	0.6
157.10100	1.7
158.11075	0.5
159.08049	0.9
159.11676	23.4
160.11984	0.5
161.09587	1.4
161.13243	2.6
163.07512	8.7
163.11133	2.7
163.14838	0.8
164.08287	0.8
164.50938	0.4
173.09621	1.1
173.11958	0.6
173.13248	3.7
175.11223	0.6
175.14830	1.4
177.09053	1.4
177.12727	7.6
177.16293	2.3
179.10741	2.0
179.14369	0.4
181.00955	0.4
181.08586	11.9
181.12178	0.6
186.10300	0.5
191.06964	0.6
191.10674	1.8
191.14204	2.2
191.17949	1.7
192.06526	1.6
193.08623	0.6
195.13806	1.1
201.12727	1.7
201.16351	4.6
207.17465	0.6
219.10258	2.4
219.13818	7.9
219.17397	8.5
237.07549	1.9
237.14819	100.0
237.18318	8.6
237.22147	1.9
238.15143	2.0
238.18021	2.0
241.11626	0.4
254.07919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1117
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03945	0.4
55.01881	0.5
55.05515	0.5
57.03430	5.9
65.03940	0.2
67.05501	0.5
69.03426	1.0
69.03738	0.1
69.07045	0.3
71.05003	0.4
71.61057	0.2
71.61397	0.3
78.00147	0.1
79.05486	1.4
81.03411	0.2
81.07047	1.8
81.85863	0.2
83.01329	10.2
83.04977	0.6
85.02910	0.6
91.05468	2.8
93.07033	2.2
95.04963	0.8
95.08582	1.0
103.05467	0.4
105.07012	3.0
105.15937	0.2
107.04955	0.3
107.08574	2.7
109.02880	0.6
109.06499	1.8
109.10107	0.2
111.04444	0.7
112.42148	0.2
115.05437	0.8
116.06236	0.5
117.06998	1.8
119.04940	0.4
119.08577	1.0
121.02859	0.2
121.06480	3.1
121.10136	1.6
123.04453	0.5
123.08028	0.3
127.03924	0.3
128.06204	0.2
129.07008	0.9
130.07785	1.8
131.04898	0.2
131.08575	2.0
133.06517	0.6
133.10133	0.3
134.07214	0.3
135.04408	0.2
135.08035	5.8
135.11644	1.1
136.78809	0.2
137.05975	0.7
137.09610	0.5
139.03896	2.1
141.06923	0.2
142.07747	0.4
143.08545	0.4
144.05672	0.2
145.06479	0.7
145.10109	4.7
147.04420	0.2
147.08066	0.4
147.11555	0.2
148.08807	0.5
149.05968	3.2
149.09596	3.5
151.11226	0.3
153.05475	0.4
153.06953	0.4
155.08521	1.5
158.07243	1.7
159.08022	1.3
161.05969	2.9
162.06741	2.9
163.03793	0.2
163.07524	6.4
163.11140	3.3
165.05464	2.3
165.09050	0.2
173.06050	0.2
173.09605	4.6
173.11082	0.2
175.07597	0.6
176.08307	3.8
176.09752	0.3
177.05513	3.1
177.09084	17.8
181.04938	0.4
181.08614	0.4
182.01823	0.2
183.08009	0.3
186.06747	0.5
189.05428	0.4
190.06201	1.8
191.07047	1.0
191.10649	9.8
195.06303	0.2
201.09084	6.8
202.09543	0.2
203.07022	0.3
204.07782	3.4
207.17416	0.4
219.10136	100.0
220.10481	1.4
221.87238	0.2
237.11182	46.6
237.18449	0.7
238.11508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1112
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03928	0.6
55.01849	1.3
55.05499	1.1
57.03428	1.6
57.07066	0.4
59.04977	0.3
59.31643	0.2
65.03930	0.4
67.01854	0.6
67.05500	1.2
68.69218	0.2
69.03429	1.1
69.07066	2.5
71.04982	0.5
71.51714	0.6
73.09152	0.2
74.16875	0.2
79.05479	2.5
81.03427	0.4
81.07045	5.0
81.24943	0.3
83.01330	11.2
83.04976	1.0
83.08614	0.6
85.02901	0.5
91.05463	3.5
93.07037	4.8
95.04955	1.4
95.08606	3.6
97.06544	0.5
99.04449	0.4
103.05466	0.6
105.07027	4.1
107.04957	0.9
107.08579	3.5
109.02876	0.5
109.06502	5.3
109.10135	0.9
109.15303	0.2
111.04424	1.0
111.11736	0.4
115.05435	0.4
117.07018	2.1
119.04953	0.4
119.08562	1.4
121.02854	0.8
121.06491	5.7
121.10135	2.5
123.04405	0.4
123.08064	0.8
123.11691	0.7
125.63074	0.3
127.03926	0.7
128.06294	0.3
129.06970	0.6
130.07748	1.7
131.04886	0.6
131.08556	1.9
132.05743	0.3
133.06480	0.6
133.10132	0.6
135.04430	0.4
135.08038	5.9
135.11639	1.7
137.05994	1.1
137.09595	0.4
137.13271	0.5
139.03883	2.9
143.08575	0.5
145.06458	0.5
145.10112	6.0
147.08005	0.4
147.11711	0.3
148.05112	0.4
148.08806	0.5
149.05971	5.6
149.09599	2.5
149.13249	0.5
152.51952	0.3
153.05426	1.0
153.06783	0.3
153.12694	0.7
155.08542	2.1
158.07230	1.5
159.04446	0.5
159.08057	1.1
159.11774	0.4
161.05939	1.8
162.06746	1.7
163.03839	0.3
163.07523	3.8
163.11171	2.5
165.05469	2.7
173.08237	0.2
173.09601	5.9
175.07545	0.7
175.14705	0.3
176.08279	2.9
177.05460	27.9
177.09074	20.3
181.05135	1.7
181.08572	0.9
183.07948	0.3
186.06685	0.4
189.05421	1.3
190.06203	0.9
191.07004	0.4
191.10660	6.2
191.17975	0.8
192.06522	0.5
195.06503	1.1
199.04990	0.7
201.09091	6.4
201.16356	0.6
203.06961	1.8
204.07803	11.8
211.25107	0.2
219.10139	100.0
220.10493	1.3
237.11186	94.4
237.18146	1.8
238.11578	1.3
238.18088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1114
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03930	0.3
53.34946	0.1
55.01859	0.8
55.05497	0.5
57.03426	5.7
65.03925	0.5
67.05496	0.8
68.29161	0.1
69.03413	1.1
71.04977	0.4
71.51697	0.2
71.52013	0.2
77.03912	0.2
79.05476	1.8
81.03403	0.3
81.07043	2.6
83.01327	11.5
83.04961	0.9
85.02878	0.6
85.30832	0.1
91.05466	2.9
93.03432	0.1
93.07028	2.6
95.04952	1.0
95.08588	1.3
98.37154	0.1
102.00478	0.1
103.05441	0.4
103.24780	0.1
105.07014	3.0
107.04936	0.6
107.08573	3.0
109.02845	0.7
109.06501	2.7
109.10164	0.2
111.04405	0.6
115.05409	0.7
116.06197	0.5
117.06998	2.1
119.04895	0.3
119.08568	1.1
121.02887	0.3
121.06490	3.2
121.10137	1.3
123.04413	0.4
123.08027	0.4
125.05993	0.2
127.03902	0.5
128.06168	0.4
129.06999	0.7
130.07774	1.3
131.08553	2.9
133.06497	0.9
133.07343	0.2
133.10092	0.3
134.07246	0.4
135.04401	0.3
135.08029	7.9
135.11642	1.1
137.05957	0.6
137.09634	0.3
139.03882	2.1
141.06926	0.3
142.07767	0.3
142.55460	0.1
143.08551	0.4
144.05685	0.2
145.06488	0.8
145.10104	5.6
145.87099	0.2
147.04388	0.3
147.08020	0.6
148.08783	0.6
149.05954	3.9
149.09592	3.8
151.03835	0.1
153.05437	0.6
153.06984	0.4
155.08513	1.8
157.06491	0.2
158.07256	2.2
159.08006	1.2
160.08806	0.2
161.05957	3.1
162.06740	3.5
163.07526	6.9
163.11153	3.3
165.05469	2.2
165.06836	0.3
165.09108	0.2
166.42879	0.1
173.05977	0.3
173.09601	5.6
173.11127	0.3
175.07520	0.9
176.08313	4.3
177.05469	7.6
177.09076	19.7
178.09328	0.2
181.04929	0.6
181.08562	0.8
183.08025	0.4
186.06686	0.6
189.05460	0.5
190.06244	1.9
191.07047	1.0
191.10635	10.0
195.06491	0.3
195.10088	0.3
201.09074	6.7
203.07079	0.5
204.07784	4.7
219.10129	100.0
220.10463	1.2
237.11174	54.7
238.11554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1115
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03944	0.4
55.01861	0.8
55.05505	0.6
57.03428	4.4
57.07083	0.3
60.41618	0.1
62.34818	0.2
65.03906	0.4
65.30053	0.2
67.01852	0.3
67.05495	1.2
69.03420	1.1
69.07062	0.6
70.04758	0.6
70.05176	0.5
70.62295	0.1
71.04990	0.7
79.05475	1.6
81.03398	0.4
81.07045	3.7
83.01328	11.0
83.04982	0.8
83.08627	0.3
85.02895	0.9
85.06548	0.3
86.48506	0.1
91.05462	2.6
93.07034	3.0
95.04953	0.8
95.08591	2.0
95.98549	0.2
97.06558	0.2
98.20775	0.3
99.04465	0.3
103.05485	0.4
105.07013	3.3
107.04959	0.5
107.08578	4.0
109.02866	0.5
109.06498	2.6
109.10162	0.6
111.04420	0.7
115.05424	0.7
116.06226	0.4
117.07014	2.4
119.04900	0.5
119.08544	1.0
121.02850	0.3
121.06500	3.2
121.10142	2.0
123.04413	0.6
123.08054	0.5
123.11662	0.3
123.35639	0.2
125.09591	0.3
127.03913	0.5
128.06148	0.3
129.06960	1.1
130.07761	1.2
131.08546	2.4
133.06483	0.6
133.10123	0.6
134.07265	0.3
135.04433	0.2
135.08037	6.8
135.11626	1.8
137.05974	0.7
137.09641	0.2
139.03899	2.4
141.06967	0.3
143.08543	0.5
144.05740	0.3
145.06473	0.5
145.10112	5.3
147.04333	0.3
147.08052	0.6
147.11693	0.2
147.60298	0.2
148.08791	0.4
149.05963	3.5
149.09602	3.7
149.13159	0.3
153.05470	0.5
153.06876	0.4
154.07803	0.2
155.08495	1.6
158.07271	1.8
159.08054	1.1
159.11688	0.6
160.08884	0.2
161.05959	3.0
161.13234	0.4
162.06743	3.4
163.03842	0.2
163.07520	6.4
163.11148	3.6
165.05466	2.5
165.06792	0.3
173.05867	0.2
173.09595	5.3
174.10016	0.2
175.07501	0.9
176.08321	3.7
177.05473	7.7
177.09085	19.8
178.06236	0.2
179.14355	0.5
181.04999	0.6
181.08537	0.6
183.08052	0.3
186.06705	0.3
189.05437	0.6
190.06216	1.6
191.07065	0.9
191.10645	10.4
191.17876	0.2
195.06462	0.3
195.10147	0.2
201.09085	6.7
201.16345	0.5
202.09683	0.2
203.06993	0.5
204.07785	4.7
219.10133	100.0
220.10490	1.2
237.11179	52.9
238.11536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1112
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03952	0.3
55.01853	0.8
55.05502	0.5
57.03426	5.3
57.03709	0.3
57.07077	0.2
65.03929	0.3
67.05486	0.8
69.03419	1.0
69.07059	0.2
70.98375	0.4
71.04987	0.3
77.03931	0.1
79.05478	1.6
79.13998	0.2
81.03407	0.3
81.07040	2.4
83.01328	11.4
83.04961	0.8
83.08571	0.2
85.02892	0.9
85.06525	0.1
91.05466	3.0
93.03391	0.1
93.07039	2.2
95.04955	1.0
95.08601	1.2
95.34858	0.1
97.06532	0.2
99.04494	0.1
103.05463	0.4
105.07013	3.2
107.04929	0.6
107.08580	3.0
109.02883	0.5
109.06507	2.0
109.10160	0.3
111.04416	0.7
114.35043	0.1
115.05441	1.0
116.06211	0.4
117.07005	2.2
119.04933	0.5
119.08569	1.2
121.06480	2.7
121.10135	1.5
123.04413	0.4
123.08038	0.5
123.11663	0.2
125.05982	0.3
127.03904	0.6
127.07521	0.2
128.06209	0.3
128.19376	0.1
129.06953	0.8
130.07777	1.6
131.07613	0.1
131.08536	2.4
133.06470	0.7
133.10127	0.5
134.07266	0.3
135.04399	0.2
135.08029	7.0
135.11665	1.3
137.05956	0.7
137.09567	0.2
139.03867	1.9
141.06900	0.3
142.07726	0.3
143.08562	0.5
144.05632	0.2
145.06458	0.7
145.10100	4.9
147.04369	0.3
147.06914	0.1
147.08015	0.6
148.08839	0.4
149.05962	3.8
149.09583	4.1
153.05438	1.2
153.06960	0.4
154.07715	0.2
155.08510	1.8
157.10300	0.1
158.07248	1.8
159.08043	0.9
160.08826	0.2
161.05951	3.1
161.09700	0.2
162.06744	3.9
163.03891	0.3
163.07524	7.2
163.11154	3.7
165.05464	2.5
167.06996	0.3
173.05940	0.2
173.09598	5.1
175.07494	0.9
176.08313	4.3
177.05521	2.8
177.09085	18.6
178.09421	0.2
181.04947	0.4
181.08588	0.8
183.07962	0.3
186.06694	0.6
189.05428	0.6
190.06235	1.9
191.07101	0.9
191.10641	10.5
192.06473	0.6
195.10133	0.3
201.09067	7.1
201.16382	0.2
203.07127	0.2
204.07782	3.0
209.11688	0.2
217.08501	0.2
219.10130	100.0
220.10458	1.3
237.11169	44.1
238.11505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1114
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
52.52000	0.2
53.03936	0.4
55.01859	0.8
55.05500	0.5
57.03432	7.4
57.22804	0.2
64.14164	0.2
65.03923	0.5
67.05502	0.6
69.03432	1.5
69.99214	1.4
71.04972	0.3
76.71327	0.2
79.05480	1.6
81.03408	0.4
81.07057	1.9
83.01331	11.2
83.04961	0.9
85.02891	0.7
91.05470	2.7
93.07030	2.1
95.04930	0.9
95.08582	0.8
95.13344	0.2
98.20729	0.3
105.07022	3.4
106.17840	0.3
107.04942	0.3
107.08591	3.1
109.02867	0.8
109.06496	2.1
111.04417	0.8
115.05409	0.5
116.06214	0.5
117.06997	2.2
119.04932	0.3
119.08543	1.1
121.06489	2.8
121.10141	1.2
123.04404	0.4
123.08030	0.4
125.05931	0.2
127.03880	0.4
127.07542	0.3
128.06108	0.6
129.06976	0.9
130.07765	1.8
131.08546	2.4
133.06491	0.9
133.10071	0.3
134.07231	0.5
135.04372	0.3
135.08041	7.5
135.11681	1.1
137.05968	0.9
139.03905	2.3
141.06914	0.3
142.07791	0.2
143.08519	0.3
144.05719	0.3
145.06435	0.9
145.10106	5.2
147.04361	0.3
147.07967	0.4
148.08791	0.6
149.05972	3.7
149.09596	4.5
153.05444	0.7
153.06938	0.3
155.08546	1.7
158.07216	2.1
159.07983	1.2
160.08784	0.3
161.05968	3.5
162.06740	4.9
163.07526	7.0
163.11159	3.8
165.05458	3.1
173.09598	5.6
173.11104	0.3
175.07545	0.8
176.08315	4.0
177.05595	1.9
177.09088	18.9
179.06908	0.2
181.08511	0.5
183.07990	0.3
186.06728	0.6
189.05481	0.4
190.06230	1.9
191.07043	1.0
191.10654	10.8
195.10126	0.4
201.09077	7.6
204.07796	3.0
219.10138	100.0
220.10484	1.1
237.11189	43.3
238.11536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1112
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
50.51490	0.2
50.81116	0.2
53.03936	0.3
54.51633	0.2
55.01873	0.9
55.05495	0.5
57.03424	1.1
65.03934	0.6
67.01848	0.6
67.05488	0.6
68.99777	0.2
69.03419	0.8
70.35783	0.8
70.36175	0.5
71.04984	0.5
73.68278	0.2
79.05467	2.0
80.96567	0.2
81.03425	0.2
81.07039	3.0
83.01325	11.9
83.04983	0.9
85.02877	0.6
91.05457	3.2
93.03349	0.3
93.07034	3.0
93.92514	0.2
95.04951	1.0
95.08588	2.4
98.20818	0.3
103.05471	0.7
105.07008	2.8
107.04953	0.8
107.08566	2.7
109.02854	0.8
109.06499	4.8
111.04404	0.6
115.05466	0.5
117.07029	1.6
119.04913	0.7
119.08582	0.8
120.05650	0.3
121.02849	0.7
121.05614	0.4
121.06482	5.8
121.10118	1.6
123.04456	0.5
123.08057	0.5
127.03883	0.8
128.06303	0.3
129.06993	0.6
130.07773	1.5
130.31123	0.2
131.04903	0.4
131.08542	1.8
133.06491	0.7
135.04414	0.3
135.08023	5.4
135.11696	0.7
137.05963	1.0
139.03871	2.8
143.08588	0.6
145.06438	0.4
145.10095	6.1
147.08012	0.6
148.05147	0.4
148.08812	0.6
149.05959	5.2
149.09595	2.6
151.39384	0.3
153.05412	0.9
153.06967	0.3
155.08542	2.2
158.07251	1.6
159.04393	0.5
159.08084	0.6
161.05951	2.0
162.06741	1.7
163.07509	4.3
163.11147	2.2
165.05435	2.8
173.09590	5.4
173.11111	0.3
175.07544	0.8
176.04694	0.5
176.08292	2.5
177.05444	31.3
177.09064	20.6
178.05844	0.2
179.03294	0.3
181.04955	2.0
181.08612	0.6
189.05412	2.2
190.06184	1.0
191.06914	0.4
191.10623	4.6
195.06471	1.4
201.09055	6.4
203.06979	1.5
204.07788	12.1
219.10129	100.0
220.10489	1.5
237.11171	95.2
238.11501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1114
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03945	0.3
55.01865	0.8
55.05508	0.4
57.03426	6.3
58.39217	0.2
65.03935	0.4
67.05488	0.6
68.99786	0.2
69.03412	1.0
69.75997	1.4
71.04980	0.4
73.33217	0.2
77.03899	0.2
79.05480	1.6
81.03414	0.4
81.07035	1.8
83.01328	11.0
83.04967	0.9
85.02898	0.8
91.05458	3.3
93.07030	2.6
95.04969	0.5
95.08613	0.7
103.05483	0.4
103.50504	0.2
105.07005	3.0
107.04952	0.4
107.08576	2.8
109.02875	0.6
109.06499	1.9
111.04440	0.6
115.05450	0.5
116.06184	0.5
117.06999	2.0
119.04907	0.4
119.08550	1.0
121.06477	2.7
121.10136	1.3
123.04402	0.6
123.08041	0.3
125.06008	0.2
127.03918	0.4
129.07011	0.9
130.07771	1.4
131.08540	2.5
133.06447	1.0
133.10132	0.2
134.07289	0.4
135.04398	0.2
135.08031	7.0
135.11662	1.0
135.43414	0.2
137.05969	0.8
137.09554	0.2
139.03886	2.1
143.08560	0.4
144.05707	0.2
145.06436	0.8
145.10092	4.4
147.04367	0.5
147.08041	0.5
148.08861	0.3
149.05959	3.8
149.09605	4.1
153.05455	1.5
153.06807	0.3
155.08521	1.8
158.07256	2.0
159.08000	0.8
160.08766	0.2
161.05946	3.6
162.06750	4.0
163.07515	6.3
163.11160	3.5
165.05460	2.6
173.09587	5.3
174.10257	0.2
175.07468	1.0
175.11169	0.3
176.06772	0.3
176.08302	4.3
177.05565	1.9
177.09087	18.2
178.06178	0.2
178.09454	0.3
181.04944	0.3
181.08582	0.4
183.08041	0.6
186.06773	0.4
189.05473	0.5
190.06233	1.9
191.06979	0.9
191.10635	10.2
201.09074	6.6
203.07072	0.2
204.07788	2.8
219.10130	100.0
220.10452	1.2
237.11179	42.8
238.11470	0.5
251.96973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.111
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03942	0.5
55.01880	0.8
55.05516	0.3
56.20269	0.2
57.03426	6.0
65.03932	0.3
67.05495	0.5
69.03421	1.0
70.83323	0.4
70.83681	0.6
79.05489	1.4
81.03401	0.3
81.07052	2.0
83.01326	10.2
83.01823	0.6
83.04961	1.0
85.02905	0.8
91.05461	3.4
93.07030	1.9
95.04974	1.0
95.08611	0.8
100.84843	0.2
103.05497	0.4
105.07016	2.7
107.04928	0.6
107.08584	3.0
109.02872	0.6
109.06489	2.2
111.04433	0.7
112.44421	0.2
115.05448	0.6
115.77930	0.3
116.06193	0.4
117.07008	2.0
119.04898	0.4
119.08566	0.8
121.06487	2.6
121.10129	1.1
123.04413	0.5
123.08064	0.5
128.06267	0.3
129.07001	1.1
130.07791	1.6
131.08545	2.1
133.06454	0.7
133.10094	0.3
134.07280	0.3
135.08029	7.3
135.11668	1.0
137.05951	0.5
137.09613	0.3
139.03896	2.1
143.08545	0.5
144.05644	0.3
145.06464	0.6
145.10109	4.7
147.04378	0.4
147.08058	0.5
148.08780	0.3
149.05946	3.2
149.09608	4.0
151.71468	0.3
153.05449	1.4
155.08557	2.0
158.07239	1.5
159.08025	1.1
161.05930	2.8
162.06728	3.6
163.07518	6.5
163.11159	3.9
165.05479	2.6
171.04399	0.3
173.09587	5.8
175.07547	0.9
176.08310	4.2
177.05568	2.3
177.09085	19.1
177.25183	0.3
178.09399	0.3
181.04881	0.3
181.08615	0.5
186.06734	0.5
190.06250	2.1
191.06987	0.9
191.10640	10.1
201.09076	7.2
204.07787	3.2
219.10130	100.0
220.10495	1.4
237.11177	43.7
238.11420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1113
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03947	0.3
53.85364	0.2
55.01874	0.7
55.05510	0.6
57.03430	6.1
59.99901	0.2
65.03939	0.4
67.05484	0.6
69.03423	1.2
69.96814	0.6
69.97234	0.9
71.04976	0.3
79.05470	1.5
81.03397	0.4
81.07050	1.8
83.01329	10.0
83.02978	0.2
83.04977	0.7
85.02908	0.7
85.06512	0.3
91.05453	3.1
93.07030	1.9
95.04967	0.8
95.08601	0.7
105.07015	2.8
107.04954	0.6
107.08577	2.7
109.02864	0.7
109.06496	1.8
111.04392	0.6
115.05473	0.8
116.06212	0.5
117.06997	2.4
119.04903	0.5
119.08591	0.6
121.06481	2.8
121.10134	1.2
123.04438	0.4
123.08071	0.4
127.03907	0.3
127.07541	0.3
128.06233	0.3
129.06987	0.9
130.07779	1.6
131.08537	2.3
133.06451	1.1
134.07260	0.3
135.08035	7.4
135.11708	1.0
137.05977	1.0
137.09668	0.2
139.03889	1.9
141.06940	0.2
142.07718	0.3
143.08604	0.3
144.05658	0.3
145.06439	0.7
145.10107	5.3
147.08124	0.3
148.08774	0.3
149.05971	3.2
149.09610	4.0
152.55069	0.3
153.05435	0.8
153.06841	0.3
155.08524	1.8
158.07263	2.0
159.08026	1.0
161.05946	3.1
162.06752	3.7
163.07530	6.6
163.11156	3.5
165.05455	2.2
173.09599	4.9
175.07547	0.9
176.08296	4.6
177.05525	2.5
177.09091	18.1
181.04889	0.2
181.08569	0.3
183.08035	0.3
186.06763	0.5
189.05385	0.3
190.06190	1.8
191.07082	1.0
191.10640	11.3
195.10106	0.3
201.09103	6.1
203.32610	0.2
204.07791	3.0
219.10135	100.0
220.10460	1.0
237.11180	44.5
238.11409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1802
Annotation	Lidocaine
Peak:m/z	Relative Intensity
53.36835	0.2
57.37949	0.2
58.06590	3.3
63.92343	0.2
69.91174	0.6
69.91594	0.6
85.50895	0.2
86.09695	100.0
87.10027	0.4
123.17889	0.2
134.34792	0.2
151.15633	0.2
180.55785	0.2
195.13130	0.2
211.07022	0.2
213.78151	0.2
235.18030	24.4
244.18895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	12.3
56.72971	1.6
57.07067	17.8
62.87276	1.7
65.03918	2.3
67.05496	23.4
67.78323	1.6
69.07059	39.7
71.04977	6.9
73.06567	1.7
73.70270	1.6
79.05481	32.8
81.07047	39.1
83.04996	2.3
83.08592	9.6
85.06545	1.9
86.09688	18.8
87.08098	12.7
91.05465	52.8
93.07034	35.9
95.04948	6.5
95.08594	47.4
95.09206	2.5
97.10204	2.3
103.05415	2.8
105.07014	68.1
107.08588	33.3
109.06525	3.6
109.10141	50.1
111.08053	14.4
117.06993	6.6
119.08567	80.1
121.10120	25.1
123.08029	4.4
123.11674	21.3
125.13289	3.0
125.70616	1.7
131.08530	3.3
133.10117	36.2
135.08055	1.7
135.11697	4.4
137.13173	1.8
147.11665	74.8
149.13254	4.9
151.11162	35.7
156.09348	2.2
161.13219	19.7
162.99963	2.0
166.02979	2.0
171.11623	2.7
173.13304	2.3
175.11206	3.0
175.14801	9.5
177.16405	2.5
179.03311	2.9
179.10661	5.0
179.14279	5.2
189.09013	1.8
199.11205	4.0
203.17928	100.0
204.18240	2.2
217.12178	2.5
217.15875	4.2
235.09569	8.1
235.13222	10.4
235.16798	29.6
235.20378	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	237.1116
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03936	0.4
54.07650	0.2
55.01867	0.8
55.05496	0.6
57.03435	1.6
57.07078	0.2
58.49839	0.2
65.03934	0.6
67.01859	0.6
67.05500	0.9
68.99785	0.3
69.03417	1.0
69.81217	0.9
69.81644	0.9
71.04988	0.7
79.05470	1.6
81.03398	0.3
81.07042	3.8
83.01329	12.1
83.04978	1.1
85.02899	0.6
91.05452	3.3
91.35814	0.3
93.03411	0.4
93.07034	2.9
95.04972	1.3
95.08584	2.4
97.02880	0.3
103.05450	0.7
105.07014	3.2
107.04948	0.7
107.08573	2.1
109.02876	0.7
109.06510	4.6
111.04433	0.6
115.05470	0.5
116.06274	0.3
117.07001	1.9
119.04919	0.4
119.08582	0.9
121.02859	0.7
121.06483	5.5
121.10130	1.5
123.04454	0.3
123.08070	0.5
125.06037	0.4
127.03919	0.5
129.06989	0.7
130.07777	1.4
130.49065	0.2
131.04874	0.6
131.08572	1.8
133.06490	0.8
135.04416	0.4
135.08037	6.1
135.11682	0.7
135.76079	0.2
137.05969	0.9
139.03850	2.6
143.08521	0.3
144.05634	0.3
145.06483	0.5
145.10103	6.2
148.05215	0.4
148.08784	0.6
149.05946	5.9
149.09593	2.9
153.05394	1.3
155.08510	1.9
158.07251	2.2
159.04416	0.5
159.08037	0.9
161.05946	2.5
162.06696	1.3
163.03838	0.2
163.07521	5.3
163.11166	2.5
165.05473	2.1
165.06886	0.4
167.44179	0.3
173.09598	5.1
175.07529	1.0
176.04721	0.8
176.08315	3.2
177.05450	32.1
177.09064	21.6
178.23860	0.2
179.03365	0.4
181.04895	1.5
181.08606	0.7
183.07954	0.5
186.06763	0.4
188.28375	0.3
189.05446	1.8
190.06261	0.7
191.07013	0.4
191.10645	5.5
195.06522	1.4
201.09074	6.3
203.07001	1.6
204.05801	0.3
204.07790	13.5
219.10132	100.0
220.10475	1.3
237.11174	91.3
238.11456	1.0
242.74541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	Rishitinol
Peak:m/z	Relative Intensity
51.16305	1.1
53.03932	1.2
55.05503	6.4
56.55770	1.2
57.07065	16.9
58.06567	1.6
59.04964	1.7
65.03910	1.1
67.05491	18.1
69.03400	2.9
69.07041	5.1
71.04982	23.9
71.80754	2.1
73.01161	1.1
79.05090	1.1
79.05476	12.5
81.03383	1.7
81.07042	34.0
83.04935	3.6
85.06503	4.0
86.09693	49.4
91.04974	1.4
91.05463	12.4
92.86177	1.0
93.07026	20.9
93.70296	1.3
95.04978	5.8
95.08585	42.9
95.38097	1.3
97.02748	1.0
97.06470	5.2
99.04393	1.8
99.08083	1.3
105.07011	22.2
107.08572	28.7
109.02888	1.4
109.06508	12.0
109.10123	9.9
111.04385	1.8
111.08027	4.5
117.07005	7.6
119.08557	23.7
121.10115	7.9
123.04411	2.4
123.08049	89.0
123.11649	1.2
127.07529	10.6
127.11108	1.7
128.06186	2.3
129.06944	3.9
131.08533	15.0
133.10107	20.1
135.07982	5.0
135.11685	8.3
137.08624	1.9
137.09596	34.9
142.07700	4.2
143.08536	12.1
144.09233	3.6
144.59303	1.3
145.10085	7.2
147.07988	2.1
147.11678	14.2
149.09515	2.7
151.03770	1.4
151.11151	5.7
156.09222	1.2
157.10097	27.5
159.11673	41.8
161.09589	8.9
161.13170	2.6
165.12726	16.8
169.10185	1.3
171.11649	5.8
173.13252	7.6
175.11188	16.0
175.13446	1.8
175.14798	26.9
177.12720	10.4
179.10620	20.2
184.12369	1.6
189.12776	1.8
189.16307	3.5
192.11382	1.3
193.15807	5.2
199.14783	88.5
200.15062	1.9
206.05690	1.8
215.90381	1.1
217.15846	66.9
218.16138	1.3
235.08049	1.5
235.09662	9.5
235.13091	3.1
235.16811	100.0
235.20610	2.5
236.16933	2.0
243.17123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	(+)-12-Hydroxy-alpha-cyperone
Peak:m/z	Relative Intensity
53.03922	1.7
55.01850	1.5
55.05510	6.2
57.07063	15.1
59.04978	1.5
67.05490	17.2
69.03393	5.5
69.07056	8.0
69.82390	1.2
70.06432	1.1
71.04984	13.7
79.05477	11.4
81.07040	28.5
83.04931	5.1
83.05383	1.2
83.08590	2.6
85.02893	11.8
85.06509	4.4
86.09171	2.2
86.09687	43.7
91.05468	13.4
93.07024	28.6
95.04957	6.4
95.08009	1.8
95.08589	35.6
97.06490	3.5
99.04415	2.3
101.05969	5.0
103.05444	1.4
105.06350	1.3
105.07008	24.6
107.07914	1.5
107.08571	20.3
107.61448	1.2
109.06504	10.1
109.10133	8.4
111.04394	2.4
111.08064	1.8
117.07010	5.8
119.07746	1.8
119.08558	30.8
121.06426	4.3
121.09389	1.2
121.10119	14.6
123.04385	1.7
123.08045	61.6
123.11639	2.1
125.09595	2.3
127.07500	4.4
129.06981	3.7
131.08537	13.9
133.06461	1.6
133.09201	1.9
133.10112	25.3
135.07997	5.2
135.11661	11.8
137.05948	1.8
137.08615	1.9
137.09592	31.2
139.07483	2.7
142.07722	2.5
143.08487	4.9
144.09290	2.1
145.10052	5.3
147.07933	3.3
147.11653	12.5
149.09590	10.6
149.13203	4.1
151.07448	2.1
151.11101	3.7
151.14717	5.4
156.09341	1.4
157.10107	15.9
159.11668	30.6
161.09583	11.4
161.13127	2.2
163.11121	1.5
165.09030	3.2
165.12717	7.7
171.11560	2.2
173.13194	6.1
175.11188	12.0
175.13406	2.1
175.14795	27.3
177.12752	12.4
179.03407	2.3
179.06906	1.6
179.10641	19.9
189.12701	2.6
189.16301	7.6
193.15810	8.5
197.04300	2.9
199.14786	31.6
201.33067	1.1
207.17285	1.3
217.08528	3.3
217.12355	2.2
217.15846	48.2
218.16136	1.4
223.59924	1.3
229.58601	1.3
235.09514	10.1
235.13428	5.8
235.16826	100.0
235.20615	2.6
236.17091	2.7
254.96811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0961
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
53.53305	0.2
55.05495	0.3
57.07069	1.8
66.94366	0.2
67.05492	0.3
69.07050	0.4
69.27766	0.3
70.05424	0.2
70.12513	1.5
79.05476	0.3
81.07033	1.0
83.08575	0.3
86.09698	4.5
91.05457	0.9
91.69275	0.2
92.21018	0.2
93.07018	0.9
95.04948	0.3
95.08593	0.9
97.06489	0.4
98.20763	0.3
105.07015	1.0
107.08566	1.1
109.06513	0.5
109.10132	0.4
119.08562	1.0
121.10153	0.7
123.04440	0.4
123.08018	0.4
123.11691	0.3
131.08542	0.7
133.10086	0.8
135.07982	0.5
135.11716	0.4
143.08456	0.3
145.10052	0.3
151.07655	0.4
153.01802	0.3
157.10104	0.4
161.09583	0.5
161.13208	0.5
172.09525	0.3
174.47382	0.2
175.11278	0.4
175.14799	0.6
178.05817	0.3
178.12968	0.2
179.03366	1.1
179.10667	1.3
182.10603	0.3
183.10168	0.3
189.16373	0.9
191.06978	0.3
192.04094	0.4
193.04958	0.6
199.14880	0.4
205.04942	20.0
206.05728	25.9
207.06369	0.9
211.91119	0.3
217.15816	1.2
220.07280	0.4
235.09630	100.0
235.16727	5.8
236.09984	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	235.169
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.08728	1.2
53.03927	2.4
55.01855	3.0
55.05506	12.2
57.03411	1.8
57.07069	17.7
57.19358	1.2
58.06583	1.7
59.04975	3.8
62.55396	1.3
67.05495	23.3
69.03429	8.9
69.07063	20.4
69.85443	9.7
71.04993	9.5
77.15698	1.2
79.05492	16.3
81.03390	1.5
81.06622	2.2
81.07050	33.6
83.04947	5.1
83.08582	5.1
85.06487	4.5
86.09698	48.1
91.05473	18.9
93.06527	2.0
93.07039	27.5
95.04964	11.1
95.08017	1.8
95.08595	35.5
97.06522	13.6
99.04520	1.4
99.08076	2.7
103.05425	2.5
105.06347	2.4
105.07018	40.3
107.04908	2.6
107.08586	40.5
109.06514	10.7
109.10144	21.7
111.04421	2.1
111.08038	5.3
115.05412	1.7
117.06982	7.4
119.08569	90.7
121.06441	5.3
121.09270	1.5
121.10124	24.1
123.04435	2.1
123.08068	6.2
123.11681	9.4
128.06181	3.9
129.06958	4.5
131.08542	21.5
133.06445	2.9
133.10112	57.8
135.08037	20.5
135.11693	13.1
137.09598	8.4
139.03815	1.6
139.11089	4.1
142.07726	4.1
143.08539	12.6
144.09358	2.1
145.06470	2.9
145.10100	15.0
146.07220	2.6
147.08066	8.1
147.10596	2.0
147.11676	28.2
149.09550	5.6
149.13234	4.3
151.11157	9.6
151.14774	1.7
155.08557	2.2
156.09279	4.8
157.09085	1.3
157.10144	17.5
158.10764	3.8
159.07988	1.8
159.11685	14.4
160.08839	2.2
161.09601	65.4
161.13223	7.9
164.29187	1.4
170.10829	1.7
171.11656	7.7
173.13248	20.2
175.11209	12.0
175.13422	1.7
175.14803	21.7
176.11920	1.5
177.12709	7.8
179.10660	18.7
184.12425	2.9
187.11195	2.5
187.14752	5.5
189.12714	3.2
189.16368	22.5
191.14253	5.3
191.17865	1.5
193.12158	1.4
193.15793	4.2
199.14807	14.2
217.15868	91.0
217.19171	15.3
218.16098	2.7
234.45012	1.5
235.05901	1.5
235.09679	9.3
235.13046	3.9
235.16855	100.0
235.20284	19.1
236.17172	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	235.0961
Annotation	Pyrenochaetic acid A
Peak:m/z	Relative Intensity
50.21189	0.6
51.49754	0.6
53.03952	1.4
55.05513	3.2
57.03417	1.3
57.07071	8.3
59.04985	0.7
67.05498	4.9
69.03437	1.9
69.07067	3.4
71.05007	2.9
79.05472	4.8
79.28474	0.6
81.07054	6.0
83.01345	1.6
83.04999	2.0
83.08633	1.8
85.06541	1.3
86.09695	17.7
91.05465	7.0
93.07018	9.8
95.04986	2.0
95.08582	6.9
97.06558	1.4
99.04493	1.0
105.07018	30.6
107.04974	2.2
107.08585	6.6
109.06535	2.0
109.10152	6.0
115.05489	1.4
117.07046	2.3
119.08570	10.9
121.06506	2.9
121.10120	6.8
123.04435	1.1
123.08053	1.0
123.11701	1.5
128.06238	3.9
129.07018	2.0
129.74359	0.6
131.04922	0.9
131.08572	4.1
132.05702	0.7
133.06499	1.9
133.10114	35.5
135.04440	2.9
135.08041	1.3
135.11673	1.2
137.05963	2.3
137.09587	1.7
137.13269	1.5
141.05432	0.6
143.08542	8.2
145.06500	0.9
145.10136	1.4
146.07233	3.3
147.04424	1.9
147.08023	4.0
147.11671	3.9
148.05196	1.1
149.05994	1.4
149.09589	1.3
149.13228	1.1
151.07594	0.9
151.11191	1.4
156.09372	3.3
157.06447	0.8
157.10135	1.7
159.08069	0.7
159.11729	2.8
161.05962	11.3
161.09602	37.1
161.13272	2.0
163.03865	7.5
163.11174	0.9
164.04669	12.1
165.05447	1.5
165.09117	2.1
171.08049	8.6
171.11662	8.9
173.13228	1.6
174.06772	3.1
175.07559	4.7
175.11192	2.5
175.14787	3.2
177.12679	3.4
179.03456	1.8
179.07141	0.8
179.10648	6.5
189.09087	73.5
189.16364	2.3
190.09464	1.3
191.14232	0.7
193.08531	3.2
193.12241	0.7
197.04463	0.9
199.07574	5.1
199.11142	7.1
199.14745	1.4
201.05489	1.0
202.06255	5.2
202.09842	0.8
203.17958	2.3
217.08585	87.5
217.12155	3.7
217.15770	4.6
218.08844	2.3
235.09622	100.0
235.13263	19.5
235.16922	34.9
235.20651	1.5
236.09959	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	235.0961
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
57.07071	1.3
60.43195	0.2
67.05491	0.3
69.07056	0.5
70.01711	1.1
75.72357	0.2
79.05470	0.3
81.07053	0.7
86.09693	3.4
91.05463	0.5
93.07028	0.9
93.26966	0.2
95.04951	0.3
95.08589	0.7
97.06524	0.4
105.07014	1.0
107.04939	0.2
107.08575	1.0
109.06516	0.3
109.10145	0.4
119.08591	0.7
121.06479	0.4
121.10121	0.5
123.04451	0.4
123.08048	0.2
123.11695	0.3
128.52823	0.2
131.08537	0.5
133.10114	0.5
135.07996	0.4
135.11710	0.4
145.10204	0.2
147.11682	0.4
147.20139	0.2
149.09612	0.3
151.07501	0.3
153.01881	0.2
157.10101	0.4
159.11667	0.4
161.09637	0.4
163.03874	0.2
173.13243	0.2
175.11143	0.3
175.14845	0.5
178.02632	0.4
179.03381	1.1
179.10677	0.8
189.16425	0.7
193.04959	0.4
199.14778	0.3
205.04944	19.3
206.05727	26.0
207.06389	0.9
213.10052	0.2
217.15858	1.0
218.96844	0.2
220.07349	0.5
235.09631	100.0
235.16771	5.4
236.09967	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0954
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
53.03936	0.3
55.05491	0.9
57.07067	2.3
58.06588	0.5
67.05479	1.0
69.03423	0.3
69.07049	0.9
69.65837	1.7
69.66260	0.7
70.48833	0.2
71.04971	0.8
71.25163	0.2
76.62933	0.3
79.05474	1.3
81.03435	0.3
81.07043	3.2
81.46252	0.3
83.04967	0.7
83.08620	0.5
85.06526	0.6
86.09180	0.6
86.09695	10.2
87.47292	0.2
91.05459	1.6
93.07008	2.3
95.04952	1.1
95.08598	2.2
97.06515	0.6
97.10149	0.4
99.04446	0.6
99.08057	0.5
105.07011	3.8
107.08580	2.7
109.06496	0.8
109.10136	1.5
111.04430	0.3
111.08038	0.5
115.05431	0.3
117.06987	0.7
119.08572	3.1
121.06500	0.6
121.10146	1.6
123.04408	0.6
123.08057	0.6
123.11676	0.4
125.09647	0.4
127.07472	0.4
131.08528	1.0
133.06458	0.3
133.10086	2.4
135.08017	0.5
135.11713	1.3
137.05934	0.3
137.09616	0.6
143.08519	0.8
145.06461	0.4
145.10065	0.7
147.08052	0.6
147.11642	1.7
149.09608	0.4
149.13254	0.3
151.07524	0.6
153.01808	0.5
157.10138	0.8
159.11664	1.3
161.09573	0.9
161.13246	3.9
165.09093	0.4
173.05936	0.7
173.13298	0.4
175.07475	0.5
175.11139	0.6
175.14775	0.8
177.12727	0.5
179.03378	1.2
179.10686	1.6
189.09119	0.6
189.16324	1.7
193.04881	0.3
199.14758	0.6
205.04939	19.0
206.05711	25.0
207.06207	1.0
217.08548	0.6
217.15887	2.5
217.19356	0.5
218.11023	0.3
220.07248	0.4
235.09615	100.0
235.16733	9.1
235.20596	0.8
236.09975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0959
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
51.07354	0.1
52.82634	0.1
55.01873	0.1
55.05478	0.2
57.03421	0.1
57.07061	0.6
58.06569	0.1
67.05475	0.3
68.99786	0.1
69.07030	0.2
69.66003	0.3
69.66425	0.3
71.04965	0.1
71.35812	0.1
72.85165	0.1
79.05488	0.3
81.03384	0.1
81.07037	0.7
83.04963	0.1
85.06527	0.1
86.09692	2.4
89.10118	0.1
91.05453	0.3
93.07028	0.5
95.04921	0.1
95.08579	0.5
97.10128	0.1
98.20765	0.1
99.04453	0.1
99.08059	0.1
105.06992	0.5
107.04928	0.1
107.08587	0.6
109.02826	0.1
109.06477	0.2
109.10110	0.2
119.08551	0.4
121.06499	0.1
121.10126	0.4
123.04415	0.5
123.08027	0.1
123.11667	0.1
127.11150	0.1
129.06995	0.1
131.08501	0.2
133.06479	0.1
133.10115	0.4
135.08002	0.1
135.11642	0.2
137.05933	0.1
137.09625	0.1
139.03828	0.2
143.08524	0.1
143.65186	0.1
145.06474	0.1
145.10124	0.1
147.08083	0.1
147.11612	0.3
149.09700	0.1
151.07465	0.3
151.11234	0.1
153.01826	0.3
157.10046	0.1
159.11617	0.2
161.09589	0.2
161.13220	0.2
163.03830	0.1
165.01759	0.1
165.05405	0.1
165.09116	0.1
171.11726	0.1
173.13318	0.1
175.11206	0.2
175.14793	0.2
177.05411	0.1
178.02577	0.3
178.06194	0.1
179.03386	1.1
179.10670	0.4
187.18657	0.1
188.04535	0.1
189.16301	0.2
192.04140	0.1
193.04996	0.4
196.92497	0.1
203.07048	0.1
205.04927	22.0
206.05707	26.8
207.06317	0.9
217.08562	0.1
217.12186	0.1
217.15816	0.3
217.19405	0.1
218.10910	0.1
219.06435	0.2
220.07286	0.9
235.09610	100.0
235.16942	2.0
236.09935	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0959
Annotation	Pyrenochaetic acid A
Peak:m/z	Relative Intensity
51.83390	0.2
52.55426	0.3
53.03939	1.1
55.01866	1.5
55.05493	0.4
57.03418	0.4
57.07061	0.9
59.05001	0.2
65.03941	0.5
67.01840	0.2
67.05485	0.7
69.03423	3.7
69.07024	0.3
71.04969	1.0
71.81698	0.5
72.35242	0.2
78.62984	0.3
79.05472	1.1
81.03405	0.4
81.07037	0.7
83.01331	2.1
83.04974	1.5
86.09694	4.0
91.05461	2.9
93.07043	2.3
95.04951	0.8
95.08598	0.7
101.01649	0.2
103.05453	0.6
105.07017	20.7
106.07345	0.3
107.04947	1.3
107.08547	0.5
109.02864	0.4
109.06512	0.5
109.10142	0.2
109.97220	0.2
115.05412	0.7
117.07007	0.9
118.04177	0.3
119.04949	0.4
119.08579	2.3
121.06497	1.8
121.09993	0.2
121.35335	0.2
123.04398	0.7
123.08028	0.3
125.05959	0.7
127.03891	0.4
128.06215	4.2
129.06985	0.8
130.07765	0.4
131.04935	0.5
131.08530	1.0
133.06494	1.4
133.10112	25.0
135.04405	2.3
137.02316	0.6
137.05986	1.7
137.09605	0.6
139.03922	0.6
141.01828	0.6
141.05421	0.5
143.08545	6.5
145.06470	0.9
145.10143	0.6
146.07260	3.0
147.04411	1.3
147.08029	2.6
148.05157	0.7
149.05949	1.6
151.03860	1.0
151.07536	1.4
153.05498	0.4
155.03400	0.3
155.05931	0.3
158.07399	0.3
159.08034	0.5
160.08875	0.3
161.05966	9.9
161.09604	30.8
162.09874	0.3
163.03885	4.9
164.04660	8.2
165.05476	4.5
165.09146	1.1
169.04941	0.5
171.06555	0.5
171.08035	7.2
172.08437	0.3
173.09610	0.4
174.06737	2.6
175.07529	2.3
177.05482	0.5
179.03378	9.5
179.07018	2.4
179.10634	0.8
185.24731	0.3
189.09082	62.8
190.09421	1.1
193.08574	3.1
193.74518	0.2
197.04422	5.6
199.07532	4.6
201.05528	0.5
202.06247	4.3
203.17731	0.3
207.10249	1.1
217.08577	73.0
218.08942	1.2
221.09203	0.2
235.09621	100.0
235.13396	2.8
235.16974	1.9
236.09917	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0958
Annotation	GTRI-02
Peak:m/z	Relative Intensity
51.02366	0.5
53.03909	0.6
55.01858	5.8
55.05477	0.7
57.03425	3.5
57.07038	1.7
65.03889	1.4
67.05457	2.0
68.82993	0.5
69.03403	0.8
69.75706	1.8
69.76136	1.9
79.05489	5.4
81.03381	0.9
81.07018	1.6
83.01300	0.7
85.06517	0.7
86.09691	12.8
91.04937	0.7
91.05464	9.0
92.51733	0.5
93.03403	0.5
93.06529	0.4
93.07027	5.7
95.04926	2.1
95.08569	0.6
103.05414	0.9
105.03313	0.6
105.07015	9.0
107.01231	1.1
107.04912	1.7
107.08564	3.7
109.02836	1.5
109.06474	0.9
115.05405	1.8
116.06194	0.6
117.06260	0.4
117.06966	2.4
119.04906	1.1
119.08554	4.8
121.02787	0.6
121.06464	1.4
121.10126	4.8
123.04342	0.7
127.03860	0.5
128.06204	6.2
129.06967	1.8
131.04913	0.7
131.07719	0.4
131.08554	3.9
132.05669	0.5
133.06456	2.8
133.10117	3.6
135.04398	3.3
135.08032	23.0
136.08374	0.4
137.02345	2.4
143.08556	5.2
145.06474	3.7
146.07225	1.5
147.04372	3.0
147.07985	4.3
149.09592	10.7
151.03882	0.8
151.07532	0.5
153.01729	0.5
153.06885	0.4
155.03409	0.5
155.06047	0.5
157.06429	0.7
159.04335	0.8
160.05150	1.1
161.05940	3.8
161.09589	10.0
163.03871	5.0
163.07559	2.5
170.70651	0.6
171.08035	5.1
173.05917	0.9
174.06760	5.3
175.03909	3.6
175.07524	16.1
177.05469	0.5
179.03352	3.5
179.10645	0.7
181.04890	1.4
189.05449	1.2
189.09077	17.4
190.09404	0.5
193.04933	0.7
197.04385	3.1
199.07533	6.2
202.06232	0.5
207.10143	0.6
217.08566	100.0
218.09010	2.4
235.09625	22.1
235.13164	0.7
235.17972	2.5
236.09976	0.5
236.16498	0.7
245.79004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0956
Annotation	Methyl taboganate
Peak:m/z	Relative Intensity
51.66579	0.1
53.03921	0.3
55.01597	0.2
55.01863	3.4
55.05489	0.2
55.16363	0.1
57.07050	0.5
65.03926	0.4
67.05497	1.5
68.99774	1.6
69.03417	0.6
71.81474	0.2
77.03930	0.2
79.01846	0.2
79.05473	0.1
81.03402	0.6
83.01329	7.9
83.04979	0.3
86.09687	1.3
91.05453	0.2
93.03409	0.8
93.07012	0.2
95.04959	2.6
95.08585	0.3
99.00801	0.9
105.03384	1.0
105.07017	0.2
107.01299	1.0
109.02862	1.4
123.00813	0.4
123.04427	1.9
127.03905	0.7
133.02866	0.4
133.10106	0.3
135.04427	0.2
137.02318	5.0
141.01808	6.3
141.05440	0.2
151.03880	9.1
153.05446	0.4
155.03360	3.7
160.32372	0.2
161.02321	0.4
165.05464	0.7
169.04922	1.4
177.05409	0.2
179.03369	97.7
180.03690	1.1
189.09012	0.4
193.08566	0.4
197.04425	63.7
198.04788	1.0
207.10156	0.9
217.08623	0.9
235.09615	100.0
236.09993	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	235.096
Annotation	Methyl taboganate
Peak:m/z	Relative Intensity
51.05203	0.2
53.03950	0.4
55.01867	9.7
55.05490	0.3
57.07061	1.0
65.03915	0.4
66.30822	0.2
67.05499	1.6
68.58875	0.2
68.99760	1.2
69.03415	0.8
69.96896	1.4
79.01858	0.3
79.05470	0.4
81.03416	0.4
81.07054	0.2
83.01333	9.5
83.04956	1.0
85.48863	0.2
86.09702	2.5
91.05487	0.3
93.03393	0.8
93.07059	0.3
95.01311	0.2
95.04961	2.6
95.08598	0.3
98.20757	0.2
99.00809	0.6
105.03403	1.0
105.06997	0.6
107.01305	0.6
107.04931	0.3
107.08618	0.2
109.02876	1.2
119.08520	0.3
123.00796	2.4
123.04415	2.2
125.02285	0.2
127.03880	0.9
133.02849	0.4
133.10103	0.3
137.02332	4.2
141.01819	5.6
151.03891	7.4
155.03363	2.9
161.02298	0.6
169.04953	3.5
179.03375	100.0
180.03725	1.2
189.09108	0.5
192.09319	0.2
193.08586	0.5
197.04437	56.9
198.04753	0.7
207.10049	0.2
215.35678	0.2
217.08594	0.5
217.12102	0.5
220.05917	0.3
235.09624	91.6
235.16570	2.3
236.09984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1745
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
53.03952	3.6
55.01868	4.4
55.05508	28.2
57.03416	6.0
58.06524	2.6
59.04999	3.4
60.47279	2.9
67.05502	33.1
69.03407	7.4
69.07063	33.0
70.93465	9.0
71.04983	13.6
79.05481	18.5
81.07044	70.7
83.04952	7.4
83.08585	17.0
85.06535	18.3
91.05466	37.2
93.07037	33.7
95.04928	11.7
95.08003	5.5
95.08595	100.0
97.06528	21.0
97.10136	9.8
99.08059	8.1
103.05440	2.7
103.38702	2.9
105.07021	40.6
107.04922	7.8
107.08579	17.8
109.06495	7.8
109.10116	15.9
111.04435	5.4
111.08037	5.7
113.09608	3.6
115.05418	6.8
117.06979	11.1
119.04858	4.4
119.08560	54.6
121.06485	10.0
121.10154	22.7
123.08064	12.2
128.06180	10.3
129.06999	17.6
131.04889	7.9
131.08543	24.3
133.02850	3.5
133.06532	3.8
133.10117	36.2
134.10796	2.7
135.08003	5.4
135.11674	19.3
137.02361	4.2
137.05908	3.6
137.09583	5.6
137.13234	13.0
141.06947	2.9
143.08531	3.5
144.05637	4.8
145.06436	9.5
145.10103	16.5
147.07997	4.7
147.11671	8.5
149.09601	6.4
151.03909	3.4
155.07094	3.3
155.08473	4.9
156.09427	3.1
157.10109	8.5
159.04369	3.8
159.08029	24.1
159.11595	14.0
161.05983	4.6
161.09608	3.1
161.13248	85.2
163.03922	21.6
163.07579	3.8
163.11131	6.1
172.05165	12.2
173.05945	5.4
173.08133	4.0
173.09555	9.0
173.13257	14.6
175.11145	4.9
177.05414	6.8
177.09070	4.4
179.14290	60.0
187.07518	44.8
187.11154	5.8
187.14764	10.4
191.03354	44.8
191.10661	3.8
192.03693	3.5
193.91124	2.8
197.13278	7.5
197.15335	33.7
200.04697	17.2
205.04880	6.3
205.08496	6.3
205.15884	4.3
212.90277	2.8
215.07002	82.9
215.10620	7.0
215.14241	9.9
215.16225	3.5
216.07320	5.8
217.10640	10.9
233.04604	14.1
233.08037	95.8
233.11723	8.7
233.15320	61.9
233.18997	6.4
234.08499	6.4
234.11208	2.5
236.92500	2.8
243.30202	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	234.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20260	1.8
53.03944	3.8
55.01860	5.6
55.05505	8.3
56.96557	90.1
57.03426	11.8
57.07069	5.8
59.04998	4.0
61.02920	17.0
67.05493	5.2
69.03419	47.9
69.07060	7.3
70.06576	9.6
71.04987	4.9
71.79842	3.3
71.95251	3.6
72.08141	9.9
73.02898	12.8
74.06070	4.7
74.97597	6.7
81.03404	12.3
83.01328	2.0
83.04964	14.5
84.04492	5.8
84.08131	20.7
84.96030	5.2
85.02894	64.7
85.06536	5.2
86.06057	6.5
86.09694	4.5
87.04467	12.1
88.02222	2.3
88.03947	2.3
88.07605	11.5
89.00805	2.6
89.03886	1.8
89.06034	2.8
90.01504	3.9
90.94821	1.9
91.03944	3.5
95.04948	3.0
96.01547	2.9
97.02877	38.2
97.03469	2.9
98.01292	6.4
98.06026	3.6
98.97572	41.6
98.98215	2.2
99.04432	11.5
100.99106	2.1
101.00748	3.8
101.02355	2.6
101.06017	4.7
105.02070	3.1
106.01002	2.3
107.01768	3.1
107.04955	1.7
109.02859	16.7
110.01269	14.4
110.07156	4.4
110.97575	6.0
111.04429	16.2
112.07552	3.9
112.99086	4.3
113.06010	2.0
115.00697	14.5
116.98605	28.6
118.02817	1.8
119.01798	26.3
119.51927	2.6
121.02884	1.9
121.06466	1.6
124.02803	2.9
124.99105	2.6
126.02576	2.0
127.03903	25.6
128.01353	2.5
128.02298	47.2
128.23450	1.5
128.52461	4.5
128.98592	9.5
129.05495	6.4
130.08629	4.9
130.52583	2.1
131.00175	3.3
131.01804	3.9
133.01715	25.3
134.99640	18.8
135.03084	1.5
135.04439	5.7
136.06131	3.1
137.01840	2.9
137.02824	15.1
137.05936	2.6
139.00642	1.6
139.03296	1.7
139.53079	2.7
140.00150	1.9
140.02339	2.2
140.98485	2.0
141.01297	2.1
141.03040	2.2
143.00186	10.4
143.01878	2.5
144.06483	2.0
145.01666	2.3
145.02757	2.3
145.04941	9.0
146.08131	6.6
146.99637	12.1
147.03198	2.5
147.04420	3.5
147.05775	5.0
148.03848	7.5
149.01231	4.8
149.02841	2.9
150.01758	3.0
151.02745	3.7
151.03888	2.1
152.07170	1.7
153.00676	2.4
153.03035	10.2
153.05721	9.9
153.55908	3.8
154.94124	1.8
155.04648	4.0
155.06973	16.1
155.54912	2.0
157.01657	2.4
158.11777	2.7
158.99644	17.6
159.03287	3.1
161.01227	24.6
161.02885	9.6
161.04689	4.3
161.06578	12.3
161.54750	4.0
162.03603	100.0
162.06496	15.5
162.53793	9.8
162.98981	2.2
163.03888	17.8
165.00696	4.0
165.04333	2.2
167.02226	1.7
169.04376	2.0
170.05173	2.8
170.08134	2.3
170.55260	2.3
170.99637	4.8
171.04120	69.8
171.05725	2.8
171.54393	6.6
173.01285	3.0
173.02910	5.0
173.04855	6.8
173.08055	16.5
173.54451	14.7
173.57158	2.7
174.99117	11.8
175.02757	7.5
177.00687	20.8
177.04248	4.1
179.02246	17.7
179.07642	7.3
182.03316	20.8
182.53584	3.7
182.54967	4.2
183.04927	2.1
184.02901	2.2
185.01233	3.9
186.99112	2.7
187.02740	3.2
188.07790	4.2
188.09334	3.9
188.97041	3.0
189.00697	7.6
191.02396	2.9
191.03897	14.5
191.05600	2.7
191.54002	5.3
192.98529	2.9
193.00185	25.4
193.03784	4.8
194.05681	2.5
197.03284	6.1
198.03879	2.7
199.09592	1.9
201.00710	6.5
203.02237	9.6
203.07654	3.3
206.98077	3.4
207.01782	2.2
211.02762	3.8
213.03323	2.3
216.07320	7.2
217.10666	44.1
217.15303	10.1
219.01775	13.5
219.05397	4.6
221.03275	6.3
225.05214	2.4
231.01704	3.3
233.98256	3.7
234.07933	5.0
234.10008	8.2
234.13307	4.0
234.18076	20.2
235.16924	2.4
237.02831	9.0
237.06459	3.8
245.03313	4.3
249.02956	2.5
253.00229	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	233.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
55.05506	18.3
56.09499	2.7
57.03412	6.7
67.05499	25.8
69.03410	4.7
69.07053	22.0
71.04951	8.2
71.61703	4.4
79.05484	15.1
81.07047	55.3
83.04961	8.0
83.08590	10.8
85.06533	18.2
91.05450	22.4
93.07034	19.4
95.04970	7.0
95.08594	64.1
97.06512	21.3
97.10152	3.7
99.08081	6.4
102.73162	2.6
105.03391	7.0
105.07020	28.5
107.08567	10.6
109.06490	5.7
109.10143	9.1
111.04420	6.4
111.97578	3.1
112.59702	2.5
113.09608	4.2
117.06977	4.7
119.08553	36.1
121.06509	3.3
121.10114	10.7
121.29403	2.6
123.08041	8.9
128.06194	11.3
129.07011	16.7
131.04921	3.3
131.08540	12.0
133.10101	24.5
135.08034	42.4
135.11682	15.5
137.13213	13.2
137.19139	2.9
141.06987	4.1
144.05649	6.1
145.06448	4.8
145.10072	6.9
147.08076	4.3
149.09557	3.4
157.06471	4.0
159.08047	16.2
159.11665	8.1
161.05928	5.4
161.13229	69.6
172.05154	7.4
172.08766	7.4
173.05954	7.0
173.08138	5.9
173.09590	12.3
173.13263	5.5
177.09039	4.0
179.14259	50.1
181.68828	2.8
187.07529	54.6
187.11145	15.8
189.09012	4.2
197.15326	31.6
200.04686	15.4
205.04904	4.3
205.08382	3.4
215.04980	6.2
215.07010	100.0
215.10541	9.5
215.14268	4.2
216.07272	5.2
217.10654	9.7
233.04515	5.0
233.08047	92.9
233.11732	10.1
233.15071	15.5
234.08289	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	233.1532
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03929	1.5
55.05488	2.4
55.47070	0.5
57.03411	0.7
57.07055	1.8
59.04979	0.8
65.51815	0.5
67.05485	2.3
69.03423	4.6
69.07030	2.0
71.04971	1.9
71.81531	1.1
77.03921	0.6
78.73241	0.5
79.05482	32.9
81.07040	3.4
83.04955	1.7
83.08598	3.7
85.02896	1.5
85.06516	3.5
91.05468	5.5
93.07032	5.3
95.04961	5.3
95.08583	3.3
97.06517	2.1
105.04478	0.7
105.07011	10.0
107.04935	33.1
107.08575	8.8
109.06480	2.0
109.10106	0.8
111.04442	0.8
111.08075	3.0
113.05989	0.9
115.05433	0.9
116.06151	0.6
117.07008	3.3
119.08556	14.0
121.06445	1.8
121.10094	5.2
123.08033	1.7
125.09587	1.8
128.06204	1.9
129.06981	5.6
131.08545	15.0
133.06435	0.7
133.10110	8.6
135.08025	4.1
135.11671	1.0
137.09587	5.9
141.06949	0.6
142.07762	1.5
143.08533	2.8
144.05638	1.0
144.09369	0.7
145.06453	1.4
145.10109	13.4
147.08020	14.0
147.10565	1.1
147.11661	14.4
149.09619	4.8
149.13217	2.0
155.08585	1.3
156.09337	1.5
157.06451	0.7
157.10085	7.4
158.10867	2.6
159.07999	4.2
159.11658	2.4
160.08841	1.9
161.09648	1.0
161.13281	0.9
163.07549	0.7
163.11153	2.9
167.08604	0.9
169.10158	0.8
171.11662	1.4
172.05136	1.2
172.12416	1.1
173.05931	1.0
173.09586	1.7
173.13239	9.4
174.10342	0.7
175.11160	20.7
177.09090	1.0
182.10867	2.1
187.07501	9.8
187.14729	3.9
189.12723	7.5
191.14281	43.1
197.13231	2.3
200.04610	2.3
215.04936	1.3
215.06995	19.0
215.14258	9.3
216.07237	0.9
217.15762	0.6
233.04456	1.3
233.08052	17.8
233.15324	100.0
234.08490	0.6
234.15594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
54.80483	1.1
55.01851	2.3
55.05492	4.5
56.05032	10.2
56.96550	4.9
57.03407	3.8
57.07054	2.6
58.06577	2.9
59.04982	2.3
61.02910	2.1
65.03922	2.0
65.61689	1.2
65.85825	1.4
67.05484	6.5
69.03400	4.4
69.07051	2.5
70.06564	2.3
71.04954	3.5
71.79471	1.3
72.08135	3.0
74.06068	72.0
75.04469	1.5
76.02196	2.4
79.05490	11.3
80.30492	1.5
80.87906	1.4
81.03406	11.5
81.06605	2.2
81.07043	33.4
83.04963	11.9
83.08578	1.4
84.04489	2.7
85.02871	5.9
86.09698	16.8
91.05466	48.4
93.07046	8.9
95.04955	6.5
95.08572	4.9
97.02852	3.8
97.06514	2.7
99.04401	2.2
99.08072	1.7
101.05956	1.9
103.05426	3.6
105.07012	21.0
107.04940	16.1
107.08564	2.8
109.06503	11.4
111.04425	3.6
113.05984	3.1
115.05418	2.5
116.06200	1.9
116.98598	2.3
117.06950	3.8
119.08614	1.9
121.06488	57.1
121.10156	1.6
123.08054	39.5
125.05968	2.9
127.03880	2.8
128.06226	11.2
129.05472	1.9
129.06979	16.8
131.04907	3.4
131.08533	5.1
132.10184	10.1
133.06474	12.8
135.08038	12.7
137.05954	1.8
137.09660	1.4
141.09106	7.7
144.05656	5.0
145.06430	4.5
145.10103	2.4
147.04242	1.4
147.08029	56.4
149.05956	1.6
150.96849	2.1
151.07469	8.0
155.04875	1.4
155.07011	3.6
157.06444	4.1
157.07591	2.0
159.08037	14.1
159.11586	1.9
161.05928	1.8
161.09581	1.6
165.09070	3.8
169.08612	3.9
171.04356	1.4
171.12138	2.6
172.05191	10.9
173.05875	2.5
173.08083	5.4
175.07390	1.9
177.05388	2.2
183.10109	5.0
187.02489	2.8
187.07503	54.5
187.11121	1.6
187.14349	9.4
188.07559	3.2
191.14220	1.6
200.04623	14.7
201.11087	1.6
205.04907	3.1
205.08548	3.3
215.07008	100.0
215.13992	5.0
216.07336	3.5
217.10663	10.4
233.04236	3.0
233.08031	79.0
233.15146	15.2
233.18880	2.0
234.07858	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	233.1169
Annotation	Mansorin B
Peak:m/z	Relative Intensity
55.01852	1.7
55.05505	10.6
57.03421	1.5
65.03931	1.3
67.05500	8.7
69.03432	1.6
69.07047	1.3
71.81911	2.0
79.05473	3.1
81.07035	4.5
82.85013	1.1
83.01334	1.7
83.04966	9.0
91.05477	6.8
93.07037	14.8
95.04958	8.9
95.08593	3.9
99.04439	1.3
103.05438	1.3
105.07029	7.4
107.08593	2.5
109.06509	5.9
111.04439	7.3
113.06013	1.5
117.06993	3.9
119.04936	2.9
119.08569	3.1
121.06496	5.8
121.25430	1.1
123.04411	3.1
123.08052	2.6
128.06201	2.1
129.06998	6.3
131.08536	9.7
133.06525	7.6
135.08063	13.0
137.05965	16.5
139.03877	16.6
141.05455	41.0
144.09363	6.5
145.06403	1.9
145.10091	4.9
147.08002	3.2
149.05991	2.6
149.09615	3.0
149.13153	1.2
151.07568	6.4
154.07762	3.1
157.06451	1.7
157.10081	1.6
158.07314	1.4
159.08084	7.7
159.09125	1.1
159.11693	26.3
160.08792	1.7
161.05977	1.4
163.07527	6.1
163.11186	1.7
165.05469	9.4
167.07028	1.4
169.10094	4.8
172.08820	12.7
173.09584	6.1
174.10342	3.3
175.07550	7.2
176.08191	1.6
177.05463	15.0
177.09103	5.9
177.12730	5.3
178.06235	13.3
179.07008	2.2
187.07541	3.2
187.11163	29.8
189.09119	1.7
190.09819	9.4
191.07010	19.2
191.10625	5.1
192.07747	6.7
200.04605	1.4
200.08324	3.5
204.07793	1.8
205.08571	10.2
205.12215	36.5
215.07054	7.9
215.10660	61.8
218.09375	11.0
233.08308	9.9
233.11700	100.0
233.15395	4.9
234.11909	2.2
236.38170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79215	0.5
66.59032	0.5
70.14745	2.2
84.10231	0.5
97.02871	0.5
101.00830	0.8
118.13446	0.5
119.01865	2.1
143.01900	2.4
161.02939	4.7
233.06277	100.0
234.06639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0805
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.03927	0.7
55.01841	0.6
55.05478	1.4
55.40003	0.6
57.07051	0.5
67.05466	1.8
68.30486	0.5
69.07062	3.5
70.90188	1.2
70.90543	1.4
73.33938	0.5
77.18453	0.5
79.05489	3.8
79.81478	0.5
81.07027	2.6
82.53085	0.5
83.04961	0.6
85.10114	0.5
91.05463	4.7
93.07021	3.0
95.04942	1.9
95.08595	3.7
97.06483	2.6
103.05444	0.7
105.07012	4.5
107.04901	2.3
107.08549	2.4
107.86533	0.6
109.06453	0.8
109.10128	1.1
111.04395	0.7
115.05440	1.5
116.06192	1.9
117.06994	1.3
119.08561	4.8
121.06486	1.2
121.10091	2.2
123.07987	1.1
123.11705	0.8
128.06201	10.9
129.06989	18.5
130.07741	0.8
131.04893	2.2
131.08553	7.9
133.10083	2.2
135.07997	1.6
135.11649	0.6
137.05928	3.5
139.03867	0.8
141.06989	0.7
143.08485	0.8
144.05661	2.6
145.06454	3.2
145.10092	3.1
145.87485	0.7
147.04388	1.8
147.08020	4.1
147.11630	1.7
149.09586	0.8
150.03104	0.7
155.04883	0.8
155.06012	1.4
156.05635	1.4
157.06448	2.4
157.07584	1.3
157.10081	0.7
159.04404	0.6
159.08034	14.9
159.11646	3.1
161.09578	0.7
161.13258	0.6
163.03818	0.6
163.07503	0.8
163.11090	0.8
172.05171	9.3
173.05910	2.5
173.09668	1.2
173.13187	1.5
175.07536	1.0
175.11125	1.0
177.05482	3.7
177.09123	1.2
185.05933	1.7
187.07520	50.9
187.14793	2.1
188.07779	0.8
191.14287	1.7
200.04660	15.9
205.04886	1.5
205.08578	3.1
215.06996	100.0
215.14268	2.5
216.07338	0.7
217.10526	0.7
233.08052	81.6
233.11424	6.1
233.15295	12.1
233.19002	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
56.96562	13.1
57.60618	1.5
69.03391	2.7
70.12442	7.1
72.08142	19.4
76.89942	1.3
76.93610	1.2
83.65634	1.5
84.04492	1.8
84.08121	1.4
85.02868	2.1
86.09687	4.0
89.98246	1.2
91.50648	1.4
98.97550	4.2
100.11193	1.7
100.99134	3.4
101.00855	1.5
104.07088	2.4
110.97546	1.5
111.00178	1.7
116.98594	2.1
119.01901	4.7
128.98506	2.4
135.03064	1.5
143.01851	4.0
144.98073	1.6
146.99623	3.3
158.99670	1.6
161.02939	9.2
162.99152	2.3
165.00677	3.8
170.11627	1.4
172.97618	1.8
180.01767	1.6
190.93207	1.2
190.98625	3.7
191.03967	2.9
208.99734	5.7
233.04390	3.9
233.06291	100.0
234.06625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.2
55.05498	20.2
57.03418	5.8
57.07056	12.0
67.05489	16.2
68.99800	5.0
69.03423	34.3
69.07066	25.5
69.83447	29.9
71.04980	8.7
79.05463	22.9
79.96371	3.6
81.03419	26.5
81.07036	43.2
83.04973	4.9
83.08607	22.2
85.02901	21.6
85.06543	3.7
87.00826	8.2
91.05482	8.0
91.24634	4.2
91.57060	3.6
93.07021	42.4
95.04961	6.4
95.08597	66.0
97.02871	10.5
97.10164	18.1
99.04424	10.6
99.08085	6.5
105.03399	7.5
105.07018	5.5
106.89463	4.2
107.04958	3.6
107.08590	52.3
107.98323	3.4
109.10136	23.0
111.08062	5.4
117.52277	3.6
121.10120	62.6
123.11701	10.9
127.03913	23.2
128.06230	4.7
135.11664	28.3
137.13290	4.8
139.11142	7.8
142.07767	7.7
149.13280	3.7
150.68832	5.0
153.01825	40.4
157.10129	7.3
160.78049	3.3
165.11153	3.5
171.08098	5.7
177.16365	100.0
185.09538	11.8
195.17474	24.4
213.05511	9.0
213.09152	13.6
213.18416	4.5
216.04166	20.9
231.06599	64.1
231.10228	17.2
231.13759	6.3
237.66847	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05501	13.4
57.03409	1.9
57.07071	7.7
59.04999	1.5
67.05488	14.0
69.03418	9.4
69.07058	20.4
71.04971	6.4
71.78649	2.6
72.08125	1.5
79.05482	16.4
81.03408	5.5
81.07043	45.7
83.04951	1.7
83.08605	15.7
85.02891	4.9
85.06536	13.0
86.09641	1.8
87.00780	2.3
91.05457	3.3
91.57788	1.3
93.07033	30.9
95.04936	3.3
95.08594	62.0
97.02891	2.2
97.06542	2.3
97.10161	10.9
98.60350	1.4
99.04459	3.0
99.08072	6.0
105.03348	1.7
105.07005	6.3
107.04993	1.7
107.08578	47.5
108.24978	1.4
109.02869	2.1
109.06481	1.9
109.10135	30.5
111.08076	4.3
111.11732	1.7
115.05432	1.6
117.06992	2.3
119.08609	3.5
121.09271	3.3
121.10129	54.6
123.11713	11.0
125.09608	2.6
125.13241	2.0
127.03918	3.7
128.06187	2.0
129.06989	5.0
131.08583	2.2
133.10123	2.9
135.11667	17.6
137.13237	10.1
139.11208	4.3
139.83716	1.3
141.06972	1.4
142.07790	2.0
143.08496	2.9
145.10072	2.1
146.80626	1.5
147.08037	1.6
149.13245	6.4
151.14832	3.9
153.01797	6.5
157.10089	2.7
159.08087	1.6
159.11642	2.2
160.05116	2.4
161.05959	2.4
165.16391	6.0
167.08638	1.6
171.07980	1.5
175.07602	2.0
177.16367	100.0
183.17451	4.8
185.05939	2.2
185.09651	4.8
189.09131	1.7
195.13762	1.7
195.17436	28.0
197.21570	1.5
203.07080	3.7
203.10550	1.6
213.09058	5.0
213.12746	2.8
213.18538	3.0
216.04161	18.5
231.02849	1.9
231.06499	18.4
231.10071	11.2
231.13826	4.3
231.19476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01880	2.5
55.05500	15.6
57.07061	8.1
64.65779	1.8
67.05487	14.5
69.03407	7.3
69.07054	23.4
71.04970	5.2
71.08601	2.2
71.78661	2.8
72.02537	1.7
72.08125	3.7
73.92210	1.7
79.05469	14.7
81.03408	4.0
81.07039	38.3
83.04967	3.2
83.08607	16.8
84.08114	1.8
85.02856	3.0
85.06517	13.2
91.05466	5.1
91.16317	1.7
93.07020	31.0
95.04968	3.3
95.08586	63.3
97.02894	2.6
97.06458	2.4
97.10159	11.5
99.04398	1.9
99.08080	6.6
105.07010	6.7
107.08575	45.4
109.10138	27.6
111.08079	2.4
111.11703	3.6
115.05453	2.8
115.68284	1.6
119.08572	6.0
121.10118	54.9
123.11712	9.5
127.03872	3.3
128.06194	3.2
135.11673	16.0
137.13228	7.8
139.11145	4.5
141.20039	2.0
142.07709	2.2
143.08549	4.4
145.06499	2.0
147.11664	2.3
149.13248	8.4
151.14790	3.1
153.01785	7.3
157.06488	2.8
157.10133	2.7
159.11639	2.5
160.05180	2.1
161.05931	3.3
165.16368	8.8
170.07240	2.5
171.08064	2.6
171.11674	2.2
175.07495	4.0
177.16354	100.0
183.17477	4.0
185.05975	2.0
185.09631	6.3
185.13297	4.5
185.15076	1.7
189.05458	5.3
195.08008	5.2
195.17416	39.2
203.03365	2.5
203.07088	10.0
203.10617	4.3
213.05617	2.0
213.09128	12.0
213.18452	4.4
216.04137	29.2
216.06055	3.2
231.06512	35.1
231.10048	13.5
231.13672	3.7
231.17471	2.6
231.19435	3.3
232.03703	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	231.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.05501	13.4
57.03409	1.9
57.07071	7.7
59.04999	1.5
67.05488	14.0
69.03418	9.4
69.07058	20.4
71.04971	6.4
71.78649	2.6
72.08125	1.5
79.05482	16.4
81.03408	5.5
81.07043	45.7
83.04951	1.7
83.08605	15.7
85.02891	4.9
85.06536	13.0
86.09641	1.8
87.00780	2.3
91.05457	3.3
91.57788	1.3
93.07033	30.9
95.04936	3.3
95.08594	62.0
97.02891	2.2
97.06542	2.3
97.10161	10.9
98.60350	1.4
99.04459	3.0
99.08072	6.0
105.03348	1.7
105.07005	6.3
107.04993	1.7
107.08578	47.5
108.24978	1.4
109.02869	2.1
109.06481	1.9
109.10135	30.5
111.08076	4.3
111.11732	1.7
115.05432	1.6
117.06992	2.3
119.08609	3.5
121.09271	3.3
121.10129	54.6
123.11713	11.0
125.09608	2.6
125.13241	2.0
127.03918	3.7
128.06187	2.0
129.06989	5.0
131.08583	2.2
133.10123	2.9
135.11667	17.6
137.13237	10.1
139.11208	4.3
139.83716	1.3
141.06972	1.4
142.07790	2.0
143.08496	2.9
145.10072	2.1
146.80626	1.5
147.08037	1.6
149.13245	6.4
151.14832	3.9
153.01797	6.5
157.10089	2.7
159.08087	1.6
159.11642	2.2
160.05116	2.4
161.05959	2.4
165.16391	6.0
167.08638	1.6
171.07980	1.5
175.07602	2.0
177.16367	100.0
183.17451	4.8
185.05939	2.2
185.09651	4.8
189.09131	1.7
195.13762	1.7
195.17436	28.0
197.21570	1.5
203.07080	3.7
203.10550	1.6
213.09058	5.0
213.12746	2.8
213.18538	3.0
216.04161	18.5
231.02849	1.9
231.06499	18.4
231.10071	11.2
231.13826	4.3
231.19476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1587
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.03922	1.8
55.01858	4.4
55.05500	14.0
57.03411	3.2
57.07043	3.8
58.00275	0.8
59.04975	1.6
66.14894	0.9
67.01873	0.9
67.05191	1.2
67.05486	10.7
68.99748	1.5
69.03426	6.8
69.06702	1.5
69.07053	23.0
70.06558	0.9
71.04974	5.0
71.08598	2.5
71.11021	1.5
79.05486	6.7
81.03412	2.1
81.06550	1.1
81.07040	16.4
83.04950	3.7
83.08602	21.7
85.02865	2.9
85.06498	2.4
87.00812	1.0
87.21286	0.8
91.05457	8.9
93.07029	16.0
95.04939	2.3
95.08581	10.7
97.02862	2.1
97.06515	9.7
97.10148	4.6
99.04421	2.1
99.08038	1.2
101.05990	1.2
103.05466	1.2
105.03346	3.0
105.07006	9.3
107.04945	1.2
107.08562	11.6
109.02856	1.3
109.10126	6.4
111.08047	5.9
112.34997	1.0
115.05414	5.1
115.07536	1.6
117.07007	8.9
119.04884	1.3
119.08519	4.7
121.06445	1.0
121.10120	5.7
123.04395	5.6
123.11695	1.9
125.09583	3.0
125.13246	1.1
127.03848	1.4
128.06139	4.4
129.06989	11.6
131.04887	2.6
131.08560	7.7
133.06482	2.0
133.10077	3.9
135.04404	2.1
135.07959	0.9
135.11707	5.6
141.06934	1.5
142.07776	5.8
143.04866	4.1
143.08539	8.4
144.05658	1.4
145.06480	2.1
145.10115	5.6
147.04366	6.5
147.07986	2.5
147.11636	1.3
148.86259	0.9
149.05920	2.6
149.09703	0.9
149.13223	28.9
152.06165	3.7
153.01794	8.4
155.08560	1.1
157.06497	7.0
157.10094	12.3
159.08055	1.5
159.11649	6.1
160.05133	2.7
161.05945	16.0
161.09544	1.8
163.07460	2.1
165.06837	1.2
167.08533	9.3
167.14265	14.7
170.07210	1.8
171.04337	5.3
171.07999	3.6
171.11678	2.1
173.05937	6.7
174.03015	1.1
174.06709	11.2
175.03876	1.6
175.07515	18.8
177.09088	1.6
177.12686	3.1
184.05142	3.2
185.05959	7.9
185.09586	12.7
185.13240	4.5
185.15202	1.0
187.07481	2.3
187.14764	1.4
188.08153	1.7
189.05443	8.2
189.09041	6.5
189.12752	1.0
195.07996	12.7
195.13780	3.3
195.17287	1.0
198.06766	2.7
201.09042	1.1
202.06186	3.6
203.06950	4.7
203.10576	7.3
208.92386	1.0
213.09062	19.0
213.12689	5.2
213.14641	1.3
213.16550	1.4
216.04150	22.8
231.02779	2.4
231.06567	30.5
231.10100	100.0
231.13760	14.6
231.15634	27.2
232.06805	1.4
232.10390	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	231.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31837	0.8
55.01863	2.7
55.05497	2.7
56.05022	2.6
56.96550	3.6
57.03422	2.0
57.07062	2.2
60.08157	56.0
61.08484	0.9
67.05487	1.9
67.10235	0.8
68.99779	1.1
69.03425	9.8
69.07054	2.7
70.06573	2.7
71.04976	1.1
72.08147	28.7
73.02879	1.3
77.65081	0.8
79.05484	2.1
81.03396	4.1
81.07040	2.6
83.04961	1.8
83.06091	5.9
83.08617	1.2
84.04495	100.0
84.08112	1.9
85.02882	8.5
86.09695	23.3
87.00826	1.0
89.03916	1.7
91.05458	2.4
93.07048	1.9
95.04939	2.7
95.08566	2.0
97.02877	3.9
97.06538	0.9
98.06052	2.1
98.97570	1.5
99.04441	2.0
99.35915	0.8
102.05524	2.8
105.07046	0.8
107.04951	2.0
109.02861	1.7
111.04432	1.5
111.08128	1.1
113.02351	1.4
116.98569	1.1
117.03289	1.0
119.04927	2.5
119.08551	0.9
124.51436	0.9
125.10744	12.4
126.05500	3.7
126.09141	76.6
127.03897	2.5
127.68400	1.0
129.06631	1.7
130.04990	95.6
131.82048	1.0
132.10208	1.0
135.04405	2.8
139.07516	1.1
143.00153	3.0
143.08556	2.1
143.11787	36.9
144.00417	1.1
145.02768	1.5
145.06479	1.3
147.03270	1.7
147.04356	8.9
148.04726	4.6
157.06403	1.1
158.97255	0.9
161.01193	5.6
163.03879	12.8
164.04234	3.3
167.10555	1.0
170.11736	2.2
171.07707	1.4
171.11278	20.0
172.06067	8.5
172.09671	21.7
174.03072	1.4
175.03969	1.8
175.07532	1.2
176.98444	1.4
185.01146	1.3
185.12842	39.2
185.16367	1.2
186.02155	2.9
187.04410	1.4
188.04659	2.7
188.98419	2.4
189.04152	1.5
189.12331	23.1
203.03557	1.4
203.06998	3.1
206.99533	1.4
210.56250	1.1
213.05423	2.7
213.09306	1.4
213.10265	1.1
213.12317	14.6
214.01669	1.8
216.04158	36.7
216.97955	1.1
217.04489	1.5
231.03114	5.3
231.06465	29.2
231.10304	3.3
231.13429	25.1
231.16934	4.5
232.06454	0.9
233.05081	1.1
234.05270	1.5
235.04878	1.8
249.02823	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0648
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
53.03932	1.3
55.01853	0.4
65.91449	0.3
67.01844	1.8
68.99781	0.7
69.03414	1.1
69.07055	0.3
69.32290	0.3
69.95015	2.1
77.03945	0.4
81.03442	0.3
83.01258	0.4
85.02919	0.4
95.04961	3.0
95.32742	0.3
97.02875	0.7
98.20670	0.5
105.03377	26.6
105.04522	0.9
106.03659	0.4
111.02751	0.3
124.23569	0.4
153.01805	100.0
154.02200	0.6
168.14407	0.3
171.02863	0.9
216.04118	0.9
231.06485	34.6
232.06789	0.6
246.38295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0649
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	2.7
55.05509	0.9
57.03421	0.7
57.07065	0.6
60.46441	0.5
66.06673	0.5
67.05487	0.7
68.99777	3.0
69.03420	7.5
69.07050	1.4
70.85423	1.9
71.04991	0.9
72.08155	0.6
79.01848	0.7
81.03400	3.7
81.07043	1.6
83.01329	95.5
83.04956	0.7
83.08611	0.8
85.02898	3.0
87.00815	1.3
91.05463	2.0
93.07024	1.2
95.04982	0.8
95.08600	0.9
97.02888	2.1
97.18104	0.5
99.04443	1.3
101.43066	0.5
105.03403	3.2
105.07027	1.8
107.01309	9.3
109.02876	1.7
115.05457	1.2
115.34716	0.5
116.92247	0.5
117.07001	0.7
119.04932	0.6
119.08575	1.7
121.10173	0.8
122.13513	0.5
125.02367	1.5
125.65090	0.5
125.96036	0.5
126.43295	0.6
127.03915	2.3
128.06242	1.7
129.03352	24.4
129.06987	9.7
133.10092	0.6
141.06973	1.0
142.07805	0.9
143.08578	1.6
145.06479	1.2
145.10156	1.2
147.04391	1.4
147.08080	0.9
149.13322	0.6
153.01811	59.5
154.02052	0.7
157.06506	1.1
157.10123	2.0
159.11696	1.0
161.05962	2.7
161.09581	1.0
171.02870	18.9
171.04346	1.0
171.07993	1.2
171.11685	1.2
173.09572	0.8
175.07571	0.9
177.05560	0.6
184.05159	0.5
185.05960	34.1
185.09561	2.1
185.13213	1.0
188.04718	1.3
190.06190	3.7
197.01018	0.8
203.07034	0.9
203.10774	1.1
203.14160	0.7
213.05446	100.0
214.05766	1.7
216.04161	11.4
231.06505	47.4
231.09918	6.0
231.13763	3.8
231.17435	1.8
232.06912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01854	1.6
55.05493	3.3
56.96549	0.6
57.03416	1.0
57.07060	1.2
59.04975	1.4
65.03925	1.1
67.05495	8.5
68.99775	1.4
69.03422	9.8
69.07056	3.0
71.01347	4.0
71.04981	3.1
71.13009	1.2
71.13346	1.0
72.08147	1.5
73.02901	1.5
79.05482	3.6
80.02929	0.6
81.03411	4.3
81.07045	9.2
83.04960	2.7
83.08620	4.0
85.02902	3.6
85.06529	2.3
91.05449	3.9
93.07034	6.9
95.04957	42.8
95.08591	5.7
97.02888	6.7
97.06528	1.0
97.10143	0.6
98.97591	0.8
99.04427	2.1
105.01851	0.6
105.07008	4.6
107.04935	0.7
107.08582	7.6
109.02872	1.4
109.06482	1.9
109.10134	6.5
111.04412	1.0
111.08045	3.0
113.05994	46.7
114.06292	0.8
115.05472	1.0
119.04916	1.6
119.08570	1.3
121.02836	4.4
121.06499	1.3
121.10094	5.7
123.04418	3.1
123.08070	1.1
123.11694	3.1
125.06058	0.7
125.09595	0.7
127.03927	2.0
128.06223	3.0
133.06483	0.9
133.10109	5.1
135.08046	2.7
135.11690	1.2
141.05447	100.0
142.05756	1.6
142.07732	0.7
143.08543	10.9
145.06435	0.9
145.10141	0.6
146.07196	0.7
147.04425	2.7
148.04716	1.8
151.11168	23.5
153.01791	0.8
157.06482	0.7
157.10120	1.2
161.05933	0.7
161.09607	15.0
167.10680	1.2
171.07965	0.9
175.03851	1.1
175.07573	0.7
175.09566	0.8
177.16386	5.9
179.10658	15.4
179.12140	1.2
183.17537	0.7
185.05988	0.9
185.09567	2.0
188.04633	0.7
195.08089	1.7
195.13675	0.8
195.17400	1.3
197.11739	5.1
198.06854	0.7
203.03380	1.5
203.07028	2.0
203.14153	0.7
211.07257	1.1
213.09166	2.5
213.11002	0.6
213.12965	0.7
216.04163	9.2
220.07774	0.9
231.03061	4.8
231.06500	12.5
231.10199	2.9
231.12257	5.4
231.14122	0.9
231.17482	0.8
249.03513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1795
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05503	13.2
57.03437	11.0
57.07062	14.3
66.26740	7.5
67.05500	71.2
67.48351	6.6
69.03420	10.1
69.07057	45.1
71.04979	13.4
71.37767	16.5
79.05450	14.1
81.07056	56.5
83.04973	14.7
83.08599	13.0
84.41172	6.9
85.06546	10.4
87.23088	7.1
91.05468	11.7
91.30540	7.8
93.07030	27.4
95.08590	100.0
97.06522	8.6
98.78469	7.9
105.07035	12.9
107.08588	36.7
109.06486	9.6
109.10133	94.9
111.08036	8.8
119.08569	69.2
121.10131	12.4
123.08028	18.5
123.11691	54.3
130.96681	8.4
133.10120	21.8
135.11658	57.6
137.09605	22.9
147.11699	15.8
149.13249	18.3
155.10632	7.9
173.11765	10.2
175.14775	69.4
183.08069	8.7
192.17151	7.7
193.15918	58.2
211.16928	31.4
229.04994	19.8
229.08443	9.8
229.14322	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	229.1544
Annotation	Pro Ile
Peak:m/z	Relative Intensity
52.51690	0.2
55.01848	0.4
56.36919	0.3
56.96547	0.9
57.03411	0.7
58.06589	4.8
59.07366	1.0
60.08154	6.1
61.02933	0.4
68.05012	0.6
69.03402	0.5
70.06580	28.5
70.32808	1.0
72.08156	0.4
73.02911	0.7
73.51099	0.2
81.35268	0.3
84.08136	0.4
85.02891	0.8
87.98647	0.2
96.08109	1.0
97.02853	0.5
98.06023	0.7
98.97555	1.0
101.00789	0.3
110.97517	0.4
112.04041	0.3
114.05511	3.3
114.09150	1.6
116.07072	0.9
116.98583	0.6
119.01851	1.2
124.07586	2.7
126.09123	0.5
127.03914	0.3
128.02284	0.8
128.98607	0.3
135.76364	0.2
139.06136	0.2
142.08617	26.6
143.08913	0.4
146.02298	0.3
146.99527	0.3
148.03842	0.8
157.04433	0.5
170.08122	1.7
177.02251	0.3
182.03117	0.3
183.02292	0.5
184.04678	0.3
199.03592	0.4
213.03325	0.3
220.05946	0.5
229.03117	2.0
229.15437	100.0
230.15808	1.1
238.83118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03922	1.0
55.01860	6.0
55.05505	6.6
57.03434	6.0
57.07041	2.9
59.04974	1.2
64.61162	1.1
67.05148	1.9
67.05499	36.9
69.03407	2.2
69.07059	10.6
71.04995	4.9
71.77286	0.9
71.81115	1.0
71.81573	1.6
79.05486	10.1
81.07049	47.4
83.01348	1.1
83.04950	4.6
83.08604	6.4
85.02882	1.5
85.06515	3.9
86.06022	1.7
91.05479	18.9
93.07046	10.2
95.04963	4.8
95.08586	14.9
97.06511	9.8
99.00801	2.8
99.08049	1.8
101.06004	1.3
105.06349	1.6
105.07022	27.7
107.04924	1.4
107.08586	9.7
109.06528	6.1
109.10140	28.1
111.08042	1.2
113.05965	2.6
115.05445	1.1
117.07005	1.8
119.07746	1.5
119.08567	24.8
121.10123	16.5
123.08044	2.8
123.10867	1.7
123.11693	19.1
127.07529	1.5
128.06165	2.0
129.06979	7.9
131.08560	5.4
133.10124	9.1
135.07986	1.9
137.09547	3.0
141.06949	1.2
142.07730	2.7
143.08531	1.3
145.10123	2.6
147.07954	2.0
147.11670	73.2
149.09630	3.2
155.08496	1.4
157.08922	1.1
157.10120	18.4
159.08029	1.0
159.11636	1.2
165.11328	1.8
165.12738	33.4
165.16380	2.3
168.09279	1.3
169.10098	1.2
173.09618	1.4
173.11804	7.8
175.11172	17.5
179.78368	1.0
180.82567	1.2
181.46054	1.0
183.11679	3.2
183.13786	1.9
186.06328	1.2
193.12276	6.4
201.05367	1.6
211.11435	1.1
211.13232	2.5
212.09247	1.3
218.45932	1.0
225.96262	1.5
229.04956	12.9
229.14287	100.0
229.23518	3.0
230.10153	1.5
230.14648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03931	0.9
55.01872	4.1
55.05507	5.0
57.03432	5.0
57.07061	1.6
59.04973	0.9
65.03924	1.8
67.05165	1.4
67.05501	23.9
69.03422	1.9
69.07057	7.4
70.06584	1.8
70.49490	1.2
70.49876	1.2
71.04972	3.7
79.05481	7.9
81.03394	2.9
81.07048	28.6
83.04963	2.8
83.08608	5.6
85.02876	1.4
85.06521	3.2
85.54577	0.8
86.06058	1.3
91.05471	14.6
93.07045	6.9
95.04959	4.8
95.08602	8.1
97.02876	2.3
97.06524	6.0
98.06021	1.1
98.20818	1.0
98.97575	1.3
99.00818	1.6
99.08088	1.7
105.07018	13.8
107.01318	4.1
107.04965	0.8
107.08580	7.4
109.02859	2.4
109.06516	5.1
109.10143	13.5
111.04417	1.0
111.08038	1.9
113.06007	1.1
115.05418	1.5
116.98592	1.2
117.07014	2.3
119.08572	15.3
121.02859	2.0
121.10130	10.6
123.08068	1.6
123.11687	11.5
129.06963	3.6
131.04968	0.9
131.08554	2.1
133.10123	6.2
137.02303	1.4
137.09573	2.8
137.13251	1.1
141.06956	1.0
142.07750	1.3
145.06496	2.1
145.10132	2.1
147.04341	0.9
147.08015	1.5
147.11671	42.0
149.09599	2.2
151.11171	1.0
155.04892	4.6
157.10114	11.0
159.11778	1.0
165.12746	18.2
167.07108	1.0
167.08432	0.8
173.05936	3.1
173.09584	1.2
173.11710	5.8
175.11174	10.2
183.04359	2.5
183.11696	1.5
183.13751	1.1
187.11249	1.1
193.12251	6.4
200.35219	0.7
201.05450	8.5
201.12703	1.1
211.03944	4.3
211.11279	1.2
211.13287	4.0
212.04207	1.0
221.32889	0.7
229.04944	100.0
229.08241	5.6
229.12370	3.0
229.14294	62.4
229.23491	1.9
230.05257	5.2
230.14606	1.7
247.02344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.28093	3.9
55.01852	17.0
55.05500	23.4
57.03417	14.2
57.07066	7.3
59.04984	4.3
61.37232	3.4
67.05489	88.8
69.07059	18.6
70.06577	5.6
71.04982	7.1
71.06944	4.0
71.50844	5.8
71.51199	5.9
79.05480	20.9
81.07045	95.7
83.04974	9.3
83.08601	12.9
85.06518	8.6
85.99449	3.7
88.07620	5.8
91.05463	31.3
92.08585	3.4
93.07045	10.5
95.04881	5.3
95.08591	20.5
97.06532	11.1
99.08083	5.2
102.09151	5.2
105.07020	46.0
107.08568	10.9
109.06500	6.1
109.10139	66.2
119.08540	36.9
121.10116	32.0
121.82880	4.1
123.08023	4.6
123.11687	36.6
129.06964	7.9
133.10098	6.7
145.10104	4.7
147.11664	100.0
157.10181	10.2
162.42165	3.6
165.12741	55.0
173.11746	17.2
175.11198	10.6
183.11688	10.0
183.13617	3.4
193.12375	7.9
229.04945	10.0
229.08575	9.3
229.12201	13.6
229.14194	63.8
229.23524	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49226	0.9
52.38430	0.8
53.26754	0.7
55.01851	3.5
55.05510	4.0
57.03394	0.8
57.07055	1.0
65.60677	0.9
67.05497	9.0
69.03419	1.2
69.07053	3.5
70.87664	0.8
71.04980	1.3
71.24380	1.3
71.24702	1.3
72.42987	0.8
79.05459	3.3
81.03372	0.9
81.07044	16.0
83.04964	2.0
83.08591	2.4
85.06528	1.8
91.05472	18.2
93.07008	3.3
95.04948	2.7
95.08588	3.8
97.06520	2.0
99.08109	1.0
100.11240	1.0
105.07010	7.1
105.45672	0.9
107.01289	0.9
107.04944	32.5
107.08572	2.5
109.02859	1.5
109.06503	1.3
109.10131	4.6
111.04415	1.8
117.06982	1.2
119.04929	11.4
119.08580	6.1
120.05697	2.7
121.02835	2.5
121.10123	4.7
123.04370	1.6
123.11689	7.7
123.76558	0.8
125.09605	1.2
127.07491	1.0
128.25290	0.9
129.07028	0.8
135.04405	21.5
136.05147	2.7
138.56241	0.9
141.06923	1.6
145.06485	2.8
147.08009	1.0
147.11664	18.4
153.06990	1.6
155.04883	3.9
155.08533	2.5
157.10159	1.2
165.06982	6.9
165.12721	10.7
173.05917	2.2
173.11729	1.1
175.11180	1.5
181.06311	1.0
183.08035	4.6
183.13675	0.8
183.15636	1.3
187.03868	1.1
193.12231	1.5
201.05435	4.1
211.03891	1.7
211.07521	3.6
211.15140	2.3
229.04941	100.0
229.08447	34.1
229.14233	7.8
229.16100	1.0
229.23486	1.3
230.05336	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	229.143
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.04333	1.0
55.01869	6.0
55.05500	6.9
57.03410	3.8
57.07035	2.4
65.03915	1.8
67.05492	39.0
69.07055	10.3
69.81889	3.4
69.82314	4.3
70.06579	1.6
71.04961	4.7
74.98919	1.2
79.05471	10.9
81.03401	1.4
81.07042	43.8
83.04958	4.2
83.08606	6.3
85.02894	2.2
85.06531	5.4
86.06075	1.9
91.04932	2.1
91.05465	24.8
93.07026	12.0
95.04947	5.2
95.08596	15.1
97.06506	10.3
97.10180	1.1
98.06054	1.7
99.00787	2.7
99.04391	1.6
105.07008	24.7
106.07353	1.3
107.04944	1.5
107.08566	8.6
109.06513	7.3
109.09430	1.7
109.10143	24.3
109.10873	1.6
111.04407	1.1
111.08062	1.3
113.05987	3.7
115.05437	1.2
115.06400	1.2
119.08554	23.0
121.10120	17.0
123.08034	3.4
123.11685	21.7
127.07508	1.9
129.07021	6.7
131.08565	6.0
133.10104	7.5
137.09604	1.6
137.13232	1.9
142.07707	1.7
143.08521	1.9
145.10133	2.8
147.11664	71.5
148.11987	1.7
149.09584	3.0
155.08496	2.3
155.10626	1.7
157.10100	15.8
159.11737	1.7
165.12737	31.1
165.16270	1.7
173.09618	3.1
173.11734	9.1
173.13156	1.7
175.11166	15.0
183.11650	3.7
183.13689	1.6
187.11137	1.8
193.12097	3.6
194.08054	1.4
201.05354	1.5
201.12711	1.9
201.16393	1.2
211.11337	1.3
211.13181	4.1
229.04958	8.9
229.08530	3.3
229.12358	5.5
229.14273	100.0
229.23471	3.0
230.14587	3.3
243.87811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0857
Annotation	Resveratrol
Peak:m/z	Relative Intensity
53.03926	1.3
55.01855	3.1
55.05475	2.1
57.03406	1.9
57.07042	1.3
60.72156	0.6
65.03916	1.5
67.05491	8.6
68.99775	2.7
69.03425	1.4
69.07037	2.0
70.06556	1.4
70.85806	1.3
70.86164	1.1
77.03915	0.7
79.03356	0.6
79.05491	5.0
81.03403	1.9
81.07051	6.4
83.04951	0.7
83.08601	1.3
85.02872	1.1
85.06528	1.8
86.06023	0.6
91.05468	39.9
93.07024	2.8
95.04964	4.7
95.08596	6.3
97.02862	0.7
97.06510	0.7
98.75938	0.6
99.08037	0.7
105.07005	2.7
107.04939	97.7
107.08577	2.1
108.05247	0.9
109.02861	2.4
109.10141	6.1
110.03632	1.1
111.04412	5.1
115.05430	2.0
115.07581	0.6
117.06989	1.1
119.04926	30.3
119.08566	2.3
120.05713	10.3
121.02864	5.2
121.06456	0.6
121.10133	1.7
123.04426	4.4
123.08028	1.2
123.11707	2.4
125.09602	1.7
128.06265	0.8
129.06985	1.3
131.04887	1.4
131.08569	1.5
133.06493	1.1
133.10126	1.1
135.04396	70.3
135.11688	0.8
136.05196	6.0
137.09637	0.9
141.06969	3.8
144.05699	0.7
145.06482	5.4
145.10092	1.1
147.04408	0.8
147.11664	5.4
153.06985	3.7
155.04944	1.6
155.08549	5.0
157.06482	1.4
157.10112	1.0
159.08080	1.7
163.14812	1.3
165.06985	17.8
165.12718	2.9
168.05702	1.5
168.09286	0.7
169.02670	0.6
169.06479	1.3
173.05959	1.6
173.09679	1.2
173.11804	1.6
175.11133	0.7
175.14821	1.2
181.06470	1.3
181.15781	0.6
182.07199	0.6
183.08025	12.7
183.09627	0.8
183.11703	0.7
185.05775	0.5
187.03841	0.8
187.07600	2.1
193.06412	3.4
193.15939	1.1
197.05972	0.8
199.74036	0.6
201.05495	1.9
201.09166	2.5
211.07533	9.8
211.09390	0.8
211.16879	6.4
222.09865	0.6
229.05022	41.7
229.08553	100.0
229.14345	2.9
229.16101	1.3
230.08908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80300	0.2
52.64750	0.2
55.01864	0.5
55.05490	0.8
57.03422	0.5
57.07069	0.5
59.89291	0.2
65.03931	0.5
67.05494	3.0
68.99770	0.4
69.03431	0.3
69.07056	0.9
70.06569	0.4
70.94771	0.5
71.04976	0.5
71.08622	0.2
79.01835	0.4
79.05486	1.0
81.03394	0.6
81.07041	3.6
83.04979	0.3
83.08593	0.7
85.02885	0.2
85.06511	0.6
91.05460	1.8
93.03406	0.3
93.07027	1.0
95.04950	0.5
95.08579	0.9
96.46632	0.2
97.02863	0.3
97.06503	0.8
98.97572	0.3
99.00820	0.3
99.04474	0.3
99.08052	0.3
103.05456	0.4
105.03371	0.2
105.07020	1.2
107.01301	4.4
107.08566	0.9
109.02864	2.3
109.06485	0.4
109.10136	2.5
111.04423	0.4
111.08046	0.4
115.05448	0.5
117.07007	1.7
118.35686	0.2
119.08583	1.9
121.02855	2.9
121.10092	1.2
123.08019	0.3
123.11699	1.0
128.06190	0.4
128.30212	0.2
129.06964	0.8
131.04890	0.8
131.08531	0.8
133.10144	0.6
137.02351	0.2
137.09538	0.3
139.05443	0.2
143.08546	0.2
145.06483	2.1
145.10077	0.8
147.04387	0.4
147.08102	0.2
147.10565	0.4
147.11664	5.1
153.01808	0.2
154.02531	0.3
155.04893	1.4
155.06001	0.4
155.08525	0.4
157.10133	1.4
159.04428	0.6
159.08009	0.2
165.12741	2.2
167.07019	0.3
169.06511	0.2
173.05969	3.3
173.11705	0.8
175.11195	1.0
183.04390	0.7
183.08075	0.4
183.11664	0.6
187.03903	1.0
187.10945	0.3
193.12227	0.6
196.71951	0.2
200.04659	2.2
201.05434	10.8
201.09242	0.4
201.12674	0.3
207.63783	0.2
211.03760	0.4
211.07489	0.4
211.11253	0.3
211.13173	0.4
228.23201	1.0
229.04929	100.0
229.08612	4.1
229.14183	6.6
229.23524	0.6
230.05235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0492
Annotation	2,7-Dihydroxyxanthone
Peak:m/z	Relative Intensity
50.94502	0.1
55.05490	0.2
56.67997	0.1
57.03413	0.3
65.03939	0.2
67.05492	1.1
68.99776	0.2
70.81267	0.5
71.04987	0.2
75.08199	0.1
81.07031	0.4
95.08582	0.2
103.05366	0.1
105.97799	0.1
107.01286	0.6
109.10177	1.0
115.05406	0.2
117.06970	0.4
121.02869	0.2
128.06102	0.2
131.04903	0.4
145.06505	0.7
155.04904	3.9
155.06120	0.2
170.69048	0.1
173.05975	0.9
173.11690	0.4
183.04425	0.9
183.11624	0.2
187.03944	0.8
201.05437	3.9
211.03842	2.3
212.04524	0.2
228.04068	0.4
228.23155	0.4
229.04929	100.0
230.05205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0493
Annotation	2,7-Dihydroxyxanthone
Peak:m/z	Relative Intensity
50.80300	0.2
52.64750	0.2
55.01864	0.5
55.05490	0.8
57.03422	0.5
57.07069	0.5
59.89291	0.2
65.03931	0.5
67.05494	3.0
68.99770	0.4
69.03431	0.3
69.07056	0.9
70.06569	0.4
70.94771	0.5
71.04976	0.5
71.08622	0.2
79.01835	0.4
79.05486	1.0
81.03394	0.6
81.07041	3.6
83.04979	0.3
83.08593	0.7
85.02885	0.2
85.06511	0.6
91.05460	1.8
93.03406	0.3
93.07027	1.0
95.04950	0.5
95.08579	0.9
96.46632	0.2
97.02863	0.3
97.06503	0.8
98.97572	0.3
99.00820	0.3
99.04474	0.3
99.08052	0.3
103.05456	0.4
105.03371	0.2
105.07020	1.2
107.01301	4.4
107.08566	0.9
109.02864	2.3
109.06485	0.4
109.10136	2.5
111.04423	0.4
111.08046	0.4
115.05448	0.5
117.07007	1.7
118.35686	0.2
119.08583	1.9
121.02855	2.9
121.10092	1.2
123.08019	0.3
123.11699	1.0
128.06190	0.4
128.30212	0.2
129.06964	0.8
131.04890	0.8
131.08531	0.8
133.10144	0.6
137.02351	0.2
137.09538	0.3
139.05443	0.2
143.08546	0.2
145.06483	2.1
145.10077	0.8
147.04387	0.4
147.08102	0.2
147.10565	0.4
147.11664	5.1
153.01808	0.2
154.02531	0.3
155.04893	1.4
155.06001	0.4
155.08525	0.4
157.10133	1.4
159.04428	0.6
159.08009	0.2
165.12741	2.2
167.07019	0.3
169.06511	0.2
173.05969	3.3
173.11705	0.8
175.11195	1.0
183.04390	0.7
183.08075	0.4
183.11664	0.6
187.03903	1.0
187.10945	0.3
193.12227	0.6
196.71951	0.2
200.04659	2.2
201.05434	10.8
201.09242	0.4
201.12674	0.3
207.63783	0.2
211.03760	0.4
211.07489	0.4
211.11253	0.3
211.13173	0.4
228.23201	1.0
229.04929	100.0
229.08612	4.1
229.14183	6.6
229.23524	0.6
230.05235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.07237	2.7
53.03919	3.9
55.01847	8.1
55.05495	23.4
57.03426	53.7
57.07054	7.8
59.04981	6.5
64.72695	2.5
67.05489	21.7
69.03398	5.5
69.07056	22.8
69.51311	22.8
69.51720	5.5
71.04984	24.9
75.04465	57.8
79.05466	14.8
81.07039	24.2
83.04953	15.5
83.08615	13.9
85.06519	13.5
91.05452	9.8
92.85868	2.7
93.07023	37.8
95.04958	27.6
95.08599	44.6
97.06512	27.5
97.10115	3.9
99.04436	42.2
99.08079	6.5
100.11243	27.3
102.17017	3.6
103.05435	3.4
105.07024	17.0
107.04958	3.6
107.08584	64.2
109.06495	17.2
109.10139	61.5
110.06042	5.0
110.97076	3.1
111.04437	4.5
111.08042	21.4
111.11708	4.4
113.05972	4.4
113.09650	4.5
117.07046	3.2
119.08556	14.7
121.06498	6.6
121.10117	58.2
122.07261	6.8
123.04443	3.3
123.08043	15.4
123.11688	18.2
125.05952	4.0
125.09641	13.5
127.11186	4.4
131.08543	9.8
133.10112	36.2
135.08031	29.0
135.11682	47.4
137.09596	93.6
137.13214	4.9
139.07489	2.9
139.11136	30.9
141.11517	5.4
145.10104	7.1
147.11668	21.4
149.09628	19.6
149.13245	44.4
149.14354	5.2
151.11151	10.0
153.09079	13.2
153.12718	100.0
155.10730	3.1
158.10889	3.5
163.11180	10.2
163.14835	26.0
163.64357	6.7
165.12752	14.1
167.07028	10.0
169.08644	13.4
169.12151	3.5
171.10126	4.0
173.13246	31.1
177.05441	4.4
181.12213	5.6
182.15424	5.1
183.13776	5.4
191.10620	5.3
191.12587	6.3
191.14265	62.7
209.11769	3.8
209.15285	34.8
210.14928	3.1
213.17789	12.3
220.11543	3.3
227.10606	3.3
227.12761	8.2
227.16322	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
52.72059	1.4
55.05512	2.3
57.07058	6.3
59.04998	1.5
67.05476	6.1
67.55074	1.5
69.03439	1.7
69.07049	4.0
71.04982	51.6
71.10728	3.9
73.47324	1.5
79.05487	2.5
81.07021	1.5
85.06525	10.7
91.05454	2.1
93.07055	2.4
95.04945	4.0
95.08575	12.1
97.10136	3.7
100.11193	1.7
107.08588	3.4
109.10109	2.0
113.05989	74.9
113.09628	48.0
121.10154	10.8
121.49236	1.7
123.08047	51.8
125.09609	1.7
135.11716	4.0
137.09610	7.9
139.11156	46.1
141.09082	38.5
155.10629	4.5
167.06973	11.9
191.14285	3.9
192.45987	1.6
196.28291	1.7
209.15343	100.0
211.25078	1.4
227.16383	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03924	3.7
55.01857	3.1
55.05499	24.1
56.13007	2.0
57.03427	6.9
57.07059	5.6
58.46254	2.1
59.04983	2.7
59.89069	2.1
60.26601	2.2
64.56660	2.5
67.05496	18.1
69.03411	9.4
69.03755	2.2
69.06736	2.9
69.07067	24.9
70.13515	2.2
70.33141	10.9
71.04980	13.7
75.12569	2.3
79.05483	17.2
81.07050	42.5
83.04974	100.0
83.08617	14.1
83.09013	2.3
85.02879	3.2
85.06519	5.3
91.05464	15.5
93.07040	57.6
95.04957	26.1
95.08593	51.8
97.06521	19.4
97.10150	3.5
99.04420	5.6
99.08088	24.7
100.11236	5.0
105.03381	18.1
105.07012	25.2
106.03732	3.5
107.04932	4.9
107.08584	83.5
109.06506	22.1
109.10142	28.9
111.08074	12.3
115.07558	3.9
117.06985	3.6
119.08557	22.7
121.06493	11.9
121.10133	68.5
123.08051	26.8
123.11675	16.5
125.05981	3.7
125.09614	10.7
127.07528	10.2
127.11172	8.8
131.08549	17.7
133.10106	40.8
135.08031	22.5
135.11688	22.1
137.09601	11.1
137.13225	4.2
139.07474	7.6
139.11162	12.9
145.10138	8.1
147.11694	12.8
148.29074	2.7
149.05913	2.7
149.09610	64.6
149.13235	58.7
151.11156	19.9
153.09087	40.8
155.10670	3.2
158.10880	3.4
161.13249	15.2
163.14796	22.3
165.12675	2.8
167.07045	13.9
167.10663	9.2
167.14238	3.1
171.10286	3.1
173.13219	31.0
179.14258	9.2
191.14293	46.8
209.08148	2.9
209.15343	61.2
224.04317	2.9
227.16377	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05489	14.2
57.03428	51.3
57.07054	9.1
58.06232	3.2
59.04992	5.2
67.05503	17.2
69.03422	4.8
69.07054	20.2
70.13460	13.1
70.13869	8.9
71.04985	13.5
75.04475	54.0
79.05466	10.5
81.07045	26.2
83.04960	12.0
83.08604	4.2
85.06520	7.3
89.07154	3.3
91.05460	11.5
93.07020	24.0
95.04971	22.8
95.08593	39.5
97.06514	25.9
98.20602	5.0
99.04430	16.4
100.11221	11.3
105.07019	14.3
107.08581	58.8
109.06499	12.9
109.09415	4.6
109.10141	70.7
109.26750	3.3
110.71879	3.1
111.08038	20.7
112.60424	3.3
113.09620	6.7
115.07520	4.5
119.08576	11.9
121.06496	6.1
121.10123	72.5
122.07278	4.3
123.08022	20.0
123.11681	5.3
125.09592	10.0
127.11192	6.5
131.08568	10.3
133.10120	27.6
135.08037	24.0
135.11655	38.1
137.09590	100.0
137.13106	3.5
138.10384	8.6
139.11134	31.4
139.43062	3.5
143.01900	3.3
145.10072	7.0
147.11655	21.2
149.06004	3.8
149.09596	23.6
149.13246	37.2
151.11171	6.7
153.09081	14.4
153.12715	92.1
154.13074	3.2
158.10864	4.0
161.02914	5.1
163.14827	26.7
165.12726	9.4
167.07042	12.4
173.13229	26.4
177.55696	4.0
182.15503	3.9
191.10626	5.3
191.14275	63.7
207.10365	8.1
209.11934	3.4
209.15265	27.1
210.14914	4.1
227.12807	5.0
227.16328	62.2
228.17049	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03918	1.0
55.01855	1.4
55.05505	8.3
57.03423	0.9
57.07063	2.0
59.04990	0.7
60.21632	0.6
64.23933	0.5
65.03930	1.0
67.05136	1.2
67.05498	21.3
69.03428	1.1
69.07062	6.2
71.04984	100.0
71.07071	2.0
72.05328	0.6
72.93816	0.5
74.11170	0.5
79.05487	10.9
81.07047	32.7
83.04985	1.9
83.08617	6.0
85.06530	3.9
91.05482	5.6
93.07035	14.3
93.07585	1.0
95.04990	2.7
95.08595	19.7
97.06528	4.0
97.10141	3.4
99.04472	1.0
99.08128	0.9
100.11248	7.1
103.05477	0.6
105.07039	2.6
107.04971	0.5
107.08582	7.1
109.06510	1.8
109.10155	3.4
111.04429	0.7
111.08090	2.3
113.06001	1.8
113.09650	1.0
113.96409	0.7
117.06987	3.5
119.08583	1.3
121.06505	1.9
121.10144	3.0
123.08097	2.1
123.11718	1.1
125.05975	0.7
125.09629	3.4
127.07568	0.9
129.06999	0.7
131.08560	3.9
131.97485	0.9
133.10115	5.4
135.08064	2.2
135.11687	12.0
137.05960	0.8
137.09650	1.1
138.09102	0.5
139.07622	0.8
139.11176	1.4
140.04698	0.6
141.09081	1.0
143.08575	1.1
145.10161	1.5
149.05937	1.1
149.09645	0.7
149.13225	7.0
151.11075	0.6
153.09114	0.8
157.10135	1.2
159.11684	7.9
163.11206	0.9
167.07021	5.8
171.11710	0.9
173.13379	0.6
175.14854	1.7
177.05542	1.8
177.12744	4.2
181.04984	0.7
181.10153	0.6
182.08102	0.8
185.09639	0.9
189.11208	1.0
191.06987	0.6
193.15878	1.0
195.13841	2.1
196.11400	0.5
198.68488	0.6
199.03911	1.3
200.09116	0.9
209.08032	0.9
209.09821	0.9
209.15140	4.7
227.03416	1.3
227.07120	0.8
227.10654	2.4
227.12802	5.2
227.14444	1.7
227.16406	1.8
227.17912	2.3
228.12485	1.1
228.23337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03926	1.6
55.01852	1.6
55.05254	1.4
55.05505	16.6
56.96553	1.2
57.03407	5.4
57.07069	6.1
59.04988	7.4
65.03912	2.0
67.05197	1.4
67.05491	13.6
68.36557	1.3
69.03407	5.4
69.07059	13.3
70.06563	1.7
70.13126	3.1
70.13544	4.1
70.21574	1.2
71.04984	21.2
73.02889	2.7
73.06541	2.0
73.74653	1.3
75.04471	1.7
79.05470	9.6
81.03391	2.1
81.07038	18.7
83.04964	9.2
83.08608	7.9
84.08125	1.5
85.02851	1.7
85.06526	15.0
86.09676	3.9
91.05463	7.6
93.06438	1.9
93.07023	24.4
95.04955	100.0
95.08587	14.1
97.06519	18.5
97.10143	3.8
99.04433	14.8
99.08070	19.7
100.11227	5.0
100.50344	1.1
101.05978	4.5
103.05404	2.4
105.07018	8.7
107.04916	3.6
107.08587	23.4
109.06497	18.6
109.10140	22.5
109.86400	1.3
111.04368	2.1
111.05543	2.9
111.08068	9.6
111.11728	1.2
113.05998	3.4
115.07546	8.3
117.06993	2.6
119.08561	9.9
121.06498	6.1
121.10107	22.4
123.04372	2.8
123.08018	5.6
123.11717	6.5
125.05942	2.0
125.09612	9.3
127.07513	6.9
131.04836	1.7
131.08569	10.7
131.97417	1.6
133.10109	31.1
134.03564	1.5
135.04384	1.3
135.08015	7.8
135.11681	6.6
137.05891	2.9
137.09604	6.1
139.11172	7.5
140.04643	5.0
143.10637	5.2
144.35493	1.1
145.10150	5.8
147.08041	1.3
147.11644	7.0
149.05928	4.2
149.09596	7.6
149.13237	8.2
151.11179	7.2
153.05521	1.6
153.09090	37.0
155.06966	5.8
158.10944	1.4
161.13234	1.3
163.03870	8.9
163.07523	1.8
163.11131	3.8
163.14784	4.7
165.12646	1.5
167.07027	29.4
167.10663	2.8
167.14270	1.7
171.10150	18.6
172.79253	1.3
173.13239	14.3
177.05505	7.7
178.13258	1.2
179.14275	4.2
181.04897	4.6
181.08513	2.2
184.47238	1.2
191.10580	4.7
191.14281	16.0
200.28471	1.2
209.08025	5.6
209.11678	4.6
209.15306	28.7
227.07063	2.1
227.12720	2.9
227.16351	70.4
227.23557	1.6
249.02690	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
52.87256	1.7
55.05506	11.0
57.03414	3.4
57.07068	10.4
59.04980	2.7
59.22060	1.8
62.01199	1.7
62.67264	1.7
64.77773	1.5
67.05489	13.2
69.03400	4.9
69.07064	11.0
70.06573	3.3
71.04982	59.7
79.05473	7.9
81.07034	6.5
83.04950	3.2
83.08597	4.2
84.08116	2.5
85.06530	9.4
87.59350	1.8
91.05447	5.6
93.07018	5.5
95.04927	6.2
95.08591	19.9
97.06503	2.8
97.10150	6.0
98.20702	5.2
100.11222	13.5
100.92900	1.8
103.05438	2.1
105.06965	2.3
107.04935	1.8
107.08556	6.2
109.06470	2.7
109.10108	4.9
111.08032	2.8
113.05996	86.9
113.09624	45.5
119.08517	2.1
121.06489	2.2
121.10133	11.7
123.04427	1.9
123.08060	55.5
125.09579	7.1
131.08525	2.1
133.10112	2.2
135.11661	2.9
137.09595	10.2
139.11156	48.4
141.09099	43.7
143.08505	2.9
145.10034	2.4
149.05939	3.5
149.13181	2.1
153.09029	1.9
155.10628	3.5
163.11153	2.1
167.07021	21.3
173.13300	2.0
177.05379	7.6
181.15819	2.5
185.09583	1.8
188.47179	1.8
189.11220	2.5
191.10654	2.2
191.14264	4.5
209.07976	3.0
209.15334	100.0
217.55565	1.7
218.23137	2.4
227.06934	2.8
227.10609	4.1
227.12859	11.0
227.16345	97.9
228.12218	2.1
228.16724	4.1
228.23174	7.4
229.62637	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01860	3.8
55.05509	15.4
56.05022	7.6
56.96556	20.9
57.03431	2.7
57.07056	4.1
65.03903	2.4
67.05488	6.2
68.05027	11.0
69.03400	3.8
69.07065	10.3
70.06579	1.8
71.02262	2.4
71.02591	3.5
71.04981	3.8
73.51498	1.8
79.05477	17.7
80.05000	8.1
81.03410	2.5
81.07044	100.0
82.06563	6.3
83.04969	4.6
83.08598	5.9
84.04492	98.8
84.08143	2.1
85.02893	18.9
85.06528	1.7
86.06049	6.4
87.04493	1.7
89.03901	10.9
90.04232	2.3
90.37513	1.7
91.05462	5.1
93.07025	6.9
94.06559	19.6
95.04948	14.7
95.08582	6.2
96.04465	10.8
96.08114	3.4
97.02828	2.4
97.06522	6.0
97.10153	3.3
98.06094	1.4
98.09679	22.2
98.97574	3.5
99.04457	2.1
100.11252	5.6
101.07140	10.1
102.05508	8.6
103.05482	3.1
105.06998	3.5
107.04946	7.2
107.08577	6.1
108.08126	1.7
109.06506	5.4
109.10126	3.9
110.06024	4.7
111.04443	2.8
111.08054	3.6
111.11742	1.5
112.07585	2.1
113.96387	3.0
114.05514	48.0
117.03366	10.2
119.08546	3.5
121.02837	1.8
121.06526	9.5
121.10136	4.3
122.06024	12.8
123.04380	4.1
123.08041	2.0
124.07582	2.1
124.99158	2.9
125.06003	1.7
127.07502	2.0
128.01263	3.4
128.07053	2.2
130.04985	90.4
131.04956	3.6
131.97443	3.6
133.10127	2.9
134.03566	1.8
135.04395	19.7
135.08043	2.2
135.09880	1.7
135.11670	3.3
136.07570	6.1
136.11191	16.1
137.05971	5.2
138.09132	3.0
139.03888	3.1
139.11162	2.3
140.04646	1.8
140.07033	10.9
142.04974	79.7
143.00172	12.2
145.02809	12.7
146.70872	1.5
149.05972	8.5
151.00645	1.7
151.03870	2.6
152.04689	1.8
152.07054	2.8
153.05498	2.5
153.06836	1.6
153.09166	2.8
155.07037	3.9
155.67761	1.6
156.06534	6.4
161.01192	14.6
163.03885	97.9
164.04201	8.6
164.07068	6.1
164.10669	14.9
166.08620	3.3
167.07021	54.4
168.06538	35.7
173.13237	2.2
177.05470	15.6
179.02249	2.4
181.04944	5.4
181.09860	2.7
181.13387	9.1
182.11810	4.0
185.01178	6.5
187.02754	3.9
189.00696	5.2
191.14272	3.2
191.16086	1.4
192.03703	2.3
192.06549	4.7
203.02243	7.6
204.04614	1.7
206.03368	2.2
209.09430	14.8
209.15346	3.7
210.11229	99.1
227.04083	1.7
227.06972	2.5
227.10406	4.4
227.13904	77.2
231.01762	16.3
249.02795	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	227.1274
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.32715	0.8
53.03920	2.5
55.01871	7.3
55.05503	13.1
56.51616	0.9
57.03428	2.8
57.07049	2.8
65.03909	1.8
67.05499	16.3
68.16650	0.9
69.03419	1.4
69.07063	9.4
70.12386	1.9
70.12797	3.4
71.04977	4.6
73.02904	2.3
78.04685	1.8
79.05482	23.5
79.27155	0.8
81.03395	3.0
81.07049	17.9
83.04971	4.4
83.08602	10.5
85.06537	1.3
91.05473	10.7
93.07030	36.2
95.04956	7.2
95.08592	38.8
97.02858	3.5
97.06516	4.4
97.10146	3.5
99.04435	4.5
99.08070	0.8
100.11240	3.5
103.05456	4.7
105.07012	6.9
107.04938	11.5
107.08582	27.0
109.06470	2.8
109.10142	2.2
111.04411	2.7
111.08076	1.2
113.06019	1.2
117.06994	7.3
119.04902	1.0
119.08553	9.4
121.06503	14.6
121.10117	13.1
122.03620	1.1
123.04388	6.5
123.08034	1.7
124.05209	1.7
125.05964	2.3
125.09620	1.5
130.07773	2.1
131.04938	6.0
133.10175	2.1
133.78632	0.8
135.04399	2.0
135.08064	2.8
135.11674	46.5
137.05966	5.8
137.09528	0.9
139.07510	1.8
140.04633	3.0
143.08521	1.8
145.10114	31.2
147.04330	1.3
148.05171	1.6
149.05962	11.2
152.04655	1.5
153.12718	1.8
154.28308	0.9
155.07115	1.1
155.08516	1.0
159.04356	3.0
163.11168	65.3
165.05530	1.4
167.07019	81.5
168.07344	0.8
173.09567	1.5
173.13181	0.9
177.05449	24.3
181.12177	13.9
191.06989	1.3
209.08037	7.6
209.11612	1.6
209.15265	2.1
221.49519	0.9
227.09111	2.7
227.12746	100.0
228.06773	0.9
228.13188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
53.03944	2.3
55.01857	3.2
55.05500	24.6
57.03419	5.1
57.07064	2.7
57.91285	1.0
59.04983	2.4
65.45319	1.1
67.05489	15.1
68.99785	10.5
69.03422	5.9
69.07066	11.0
69.45921	11.9
71.01356	1.2
71.04973	4.6
71.25760	1.3
73.02901	1.3
73.47916	1.1
78.04696	1.5
79.05485	15.5
81.07040	20.9
81.07500	1.7
83.04965	5.0
83.08603	41.3
85.02863	1.9
85.06525	3.3
85.10178	4.7
86.09694	1.2
91.05038	0.6
91.05465	30.4
93.07037	20.8
95.04953	34.2
95.08598	6.4
97.06509	3.1
97.10170	7.8
99.04480	1.3
99.08083	2.1
99.31631	1.2
100.11250	10.8
101.02373	7.0
103.05455	4.0
105.03345	1.7
105.07019	4.3
107.04942	4.8
107.08573	55.4
109.02918	1.3
109.06503	28.8
109.07236	2.1
109.10139	15.2
111.04424	5.2
111.08063	100.0
113.09651	1.1
115.05488	2.0
117.03395	1.0
117.06950	1.5
119.03397	6.2
119.04948	3.0
119.08533	2.1
121.06497	9.0
121.10141	8.5
123.04398	6.1
123.08064	2.4
123.11649	2.3
124.05196	2.2
125.05974	1.3
125.09608	24.6
126.34199	1.1
127.07558	3.4
131.04927	4.3
131.08566	3.8
133.10133	1.8
135.08037	13.9
135.11687	4.2
137.05948	14.9
137.06927	1.7
139.11147	1.2
140.04695	4.1
143.10622	1.4
145.10110	1.5
148.05275	1.0
149.05972	9.9
149.09598	10.0
149.13301	1.6
151.07458	5.6
152.04700	1.1
153.09084	58.7
153.12700	2.4
155.07007	10.7
157.10109	1.2
159.04440	1.3
163.11168	5.1
163.14749	1.5
165.05405	1.2
167.07024	71.6
167.10638	6.5
169.08578	84.1
171.04401	4.6
171.07913	1.3
173.09761	1.4
177.05449	19.8
177.09106	4.3
181.05019	1.4
181.08531	1.6
181.12210	2.0
185.11696	26.2
186.07236	1.5
189.11208	4.2
191.07022	1.7
191.10663	3.6
191.14265	1.5
191.17941	1.9
195.10132	68.9
199.03874	3.0
199.07463	1.7
209.08083	7.6
209.11691	5.0
209.15417	4.1
227.03410	6.7
227.06932	2.3
227.10529	3.4
227.12668	22.7
227.17990	5.0
227.19766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03931	1.0
55.01865	5.8
55.05487	3.8
56.24451	0.7
57.03415	1.6
57.07053	1.4
58.52927	0.8
59.04978	0.9
61.56119	0.7
63.20765	0.7
65.03928	4.9
67.05502	4.4
69.03415	2.0
69.07053	4.5
71.03527	2.2
71.04983	3.9
71.41721	0.7
73.02905	36.4
79.05466	3.8
81.07038	5.6
82.04191	1.3
83.04968	2.1
83.08597	1.4
85.02876	4.3
85.06512	1.5
89.93140	0.7
91.03921	0.8
91.05464	3.7
93.03381	1.6
93.07029	8.6
95.04955	19.1
95.05546	0.7
95.08600	5.8
97.02904	0.7
97.06493	5.3
99.04427	2.9
99.08102	4.3
100.11240	8.6
101.05992	1.1
103.05443	1.2
105.03365	3.0
105.07023	3.4
107.04925	2.0
107.08589	6.9
108.02058	1.1
109.06514	3.7
109.10148	3.4
110.03644	3.4
111.04419	2.8
111.08047	0.7
115.07547	1.7
119.04915	1.0
119.08564	1.7
121.06486	3.0
121.10101	5.8
123.04401	7.6
123.08029	2.0
123.11691	1.7
125.02332	2.3
125.05988	1.9
125.09590	1.7
127.07508	2.3
131.08585	1.4
133.10112	6.8
135.08020	1.3
135.11652	1.7
137.05988	1.4
138.03123	1.2
139.11171	1.9
140.04660	50.4
142.02563	2.2
145.10175	1.3
147.11667	2.6
149.05978	2.0
149.09592	2.0
149.13184	1.4
153.05469	2.2
153.09117	4.1
155.07004	66.0
156.07338	1.2
163.14775	1.3
167.07022	14.3
167.10645	1.2
171.06497	6.4
173.08104	4.9
173.13240	3.5
177.05429	3.5
179.07024	3.0
181.04932	100.0
182.05324	1.9
187.18533	0.7
191.14281	3.8
209.08057	23.3
209.11726	0.8
209.15175	3.6
227.06879	1.6
227.09105	27.7
227.12688	2.4
227.16167	8.4
228.09485	0.8
232.60477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03929	1.7
55.01865	3.2
55.05502	6.3
57.03444	1.0
57.07086	1.4
65.03918	0.8
67.05493	6.9
69.03434	0.9
69.07051	5.2
69.07375	0.4
71.04978	3.0
71.79865	0.5
73.02916	1.1
77.03928	0.3
78.04689	2.1
79.05026	0.7
79.05484	12.2
81.03426	1.3
81.07044	9.0
83.01334	0.4
83.04972	1.7
83.08605	4.2
85.06535	0.9
89.03916	0.9
91.05465	7.7
93.03438	0.4
93.07030	17.4
95.04955	5.3
95.08593	16.0
97.02874	1.8
97.06503	2.3
97.10138	1.8
99.04438	2.3
99.08105	0.6
100.11244	4.2
103.05446	6.4
105.03387	0.7
105.04473	0.5
105.06995	2.7
106.04162	1.9
107.04938	6.7
107.08578	11.4
109.02904	0.3
109.06500	1.9
109.10102	1.5
111.04453	1.0
111.08087	1.2
111.11665	0.4
113.09660	0.4
115.05466	0.4
117.03383	0.9
117.06993	3.5
119.04926	1.3
119.08577	3.6
120.05688	0.6
121.05602	0.6
121.06490	12.3
121.10126	5.4
122.03634	0.8
123.04411	7.0
123.08061	1.6
124.05214	2.8
125.05965	1.0
125.09624	1.3
127.07459	0.3
129.07051	0.3
130.07785	0.7
131.04913	5.5
131.08600	0.6
133.02808	0.9
133.10126	1.2
134.03625	1.4
135.04366	1.6
135.08011	1.5
135.11679	17.5
136.12013	0.3
137.05951	8.4
137.09647	0.3
139.07539	0.8
139.11148	0.9
140.04666	3.0
143.08566	0.5
145.02831	0.9
145.10097	8.9
147.04439	1.1
148.05118	1.6
149.05954	14.6
149.09509	0.4
149.13225	0.6
151.03940	1.5
152.04633	2.0
153.09036	0.3
153.12737	0.5
155.07018	1.7
155.08411	0.4
159.04396	3.7
162.03072	0.4
163.03854	1.4
163.07510	0.8
163.11163	24.6
165.05460	1.4
166.06201	0.5
167.07014	100.0
168.07370	1.5
169.08559	0.6
171.08035	0.4
173.09526	0.6
173.13228	0.5
176.04541	0.7
177.05446	28.4
178.06021	0.6
179.06966	0.4
180.07788	0.3
181.04929	0.5
181.08556	1.3
181.12212	5.5
189.11229	0.4
191.07007	2.0
191.10634	0.7
194.05650	0.9
195.06575	0.7
195.10291	0.3
209.06494	0.3
209.08044	10.2
209.11710	0.8
209.15141	1.7
227.06834	1.0
227.09268	3.3
227.12718	37.2
227.16371	1.9
227.17836	1.0
227.19873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03936	1.0
55.01859	1.0
55.05505	2.7
57.03413	0.9
57.07056	1.3
59.04985	1.3
65.03940	0.7
67.05498	1.7
69.03429	2.7
69.07043	3.7
71.05002	2.9
71.22596	1.2
73.02918	1.1
73.06536	0.6
78.04708	2.5
79.05476	4.2
81.03394	1.0
81.07049	3.8
83.04969	1.4
83.08607	2.2
85.02882	0.9
85.06530	1.2
86.09703	0.6
89.03888	1.1
91.05473	6.4
93.07032	7.6
95.04956	18.4
95.08595	3.0
97.04028	0.5
97.06516	3.7
97.10169	1.5
99.04433	2.4
99.08075	5.6
100.11240	6.6
103.05462	5.6
105.03368	0.8
105.07008	2.6
106.04162	1.5
107.04951	2.8
107.08577	3.8
109.06492	3.6
109.10126	2.0
111.08080	1.7
113.06033	0.5
115.03918	1.4
115.07557	1.5
117.03333	0.8
117.07023	0.6
119.04913	1.6
119.08600	1.5
121.05618	0.6
121.06493	10.3
121.10139	3.8
122.03603	1.0
123.04418	6.3
123.08061	1.6
123.11685	1.1
124.05193	1.9
125.05968	1.0
125.09575	2.5
127.07569	2.5
129.05486	0.6
131.04901	5.0
131.08548	1.5
133.02850	1.4
133.10110	6.2
134.03606	1.6
135.04379	1.4
135.08008	1.8
135.11664	0.9
137.05951	7.9
137.09554	1.3
139.11140	2.0
140.04684	4.2
145.02786	1.1
145.10132	0.8
147.04384	1.4
147.11693	1.3
148.05159	1.3
149.05972	13.6
149.13237	1.7
151.03906	1.8
151.11134	0.9
152.04662	1.8
153.09079	5.9
155.07021	4.0
159.04425	3.5
163.03897	0.8
163.14824	1.8
165.05505	0.7
167.07022	100.0
168.07373	1.5
171.10101	1.3
173.13211	3.2
176.04655	0.6
177.05452	28.1
179.14217	0.6
181.04961	2.5
181.08621	1.3
185.68941	0.5
191.07120	0.8
191.10750	0.6
191.14272	3.2
194.05696	1.2
195.06465	0.6
209.08083	11.0
209.11699	0.7
209.15179	4.5
227.08768	5.7
227.16200	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	227.091
Annotation	chaetoglocin A
Peak:m/z	Relative Intensity
53.03941	1.3
54.26867	0.6
54.74099	0.5
55.01874	0.8
55.05275	0.6
55.05508	2.6
57.03440	0.9
57.07082	1.0
59.86916	0.5
64.60470	0.6
65.03950	0.6
67.05490	3.0
68.99782	1.6
69.03428	2.3
69.07063	2.0
70.67060	2.2
71.04992	2.3
79.05479	3.0
81.07059	2.3
83.01328	6.4
83.04982	1.7
83.08623	1.2
85.06539	1.7
91.05454	2.6
93.07034	3.0
95.04951	3.8
95.08615	1.5
97.06541	1.6
97.10170	1.7
99.08083	0.7
100.11234	4.0
103.05494	0.7
105.07034	1.0
107.04946	2.6
107.08568	3.5
109.06516	1.8
109.10242	0.5
111.04435	1.5
111.08048	1.2
113.05975	10.6
115.05432	1.1
117.06989	4.2
118.90348	0.5
119.08562	0.6
121.06490	9.3
121.10138	0.9
123.04433	1.5
125.06016	1.2
125.09633	1.2
127.03908	3.0
127.07443	0.5
132.37383	0.5
135.08032	6.0
139.03896	0.9
139.07526	1.8
143.08533	0.6
145.06425	4.4
146.03375	0.6
148.05168	0.8
149.05962	6.3
149.13191	0.8
153.05440	8.5
155.03345	6.8
156.04166	4.7
157.04970	0.8
163.07524	11.0
167.07010	100.0
168.07362	2.1
173.05960	5.6
181.08612	9.3
184.03229	1.0
185.09584	0.7
185.13200	0.6
188.55237	0.8
191.06996	84.2
192.07385	1.3
194.05696	1.6
196.90781	0.6
209.08047	43.4
210.08347	0.7
227.09077	46.9
227.12698	2.2
227.14258	1.5
227.17766	2.6
228.09448	1.0
228.12166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
53.16842	0.4
55.01859	1.8
55.05501	3.4
57.03415	1.6
57.07051	1.3
59.04969	0.4
63.57265	0.4
65.03942	0.8
65.84275	0.4
67.05502	2.0
69.03420	2.5
69.07061	3.0
70.40376	1.4
71.04975	2.2
72.93782	0.6
73.02898	1.2
77.17193	0.4
78.04692	2.9
79.05482	3.3
79.78211	0.4
80.82926	0.4
81.03394	0.9
81.07035	3.0
83.04948	1.5
83.08617	2.3
85.02901	0.8
85.06526	1.2
86.09677	1.0
89.03897	0.9
91.05476	6.4
93.07034	7.3
94.84637	0.4
95.04955	16.1
95.08599	2.4
96.05734	0.5
97.02889	0.7
97.06510	2.9
97.10122	0.8
99.04442	3.0
99.08096	3.3
100.11243	10.1
102.50989	0.4
103.05446	6.1
105.03361	0.9
105.07027	2.0
106.04156	1.7
107.04936	4.0
107.08581	3.6
109.06493	3.1
109.10134	2.0
111.04430	1.1
111.08065	0.9
113.96404	0.5
115.03916	0.8
117.03367	1.5
117.06966	0.4
119.04921	1.9
119.08582	1.7
120.05627	0.4
121.06487	11.7
121.10133	3.9
122.03596	0.7
123.04413	7.1
123.08059	1.1
123.11668	0.9
124.05199	2.7
125.05978	0.8
125.09605	1.3
127.07526	1.9
131.04903	5.9
131.08528	1.6
133.02859	0.8
133.10101	4.4
134.03656	2.1
135.04378	1.3
135.08060	0.8
135.11693	1.0
137.05956	7.8
137.09532	0.8
139.11174	1.4
140.04671	4.3
143.10692	0.7
145.02846	1.1
145.10036	0.6
147.04393	1.2
147.11679	1.0
148.05145	1.6
149.05959	14.0
149.09586	0.7
149.13243	1.1
151.03894	2.2
151.11095	0.9
152.04672	1.6
153.09059	4.2
153.12589	0.4
155.07042	3.4
159.04390	4.0
163.03871	0.7
163.07506	0.8
163.11174	1.1
163.14784	0.7
165.05464	1.1
167.07016	100.0
168.04149	0.6
168.07359	1.2
171.10135	1.1
173.08141	0.6
173.09546	0.5
173.13240	2.1
176.04633	1.0
177.05452	27.0
179.06992	0.5
179.14394	0.4
181.04889	2.4
181.08508	1.6
181.09967	0.6
183.06584	0.4
191.06993	1.2
191.10660	1.2
191.14334	2.4
194.05756	1.0
195.06612	0.9
197.08104	0.4
199.07498	0.4
209.08081	10.5
209.11511	0.7
209.15384	2.6
227.07166	0.4
227.08966	5.0
227.12531	0.4
227.16483	5.2
234.82387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	chaetoglocin A
Peak:m/z	Relative Intensity
50.20187	1.2
53.03935	2.7
55.87625	1.1
67.05494	2.0
69.03419	2.9
69.55997	11.4
69.56327	2.2
70.75410	1.0
71.42342	1.0
79.05482	1.9
83.01326	9.6
85.06556	2.1
91.05462	1.7
93.07007	2.5
95.04958	3.5
96.87212	1.0
105.77157	1.1
107.04940	2.6
107.08571	2.7
109.06515	1.8
111.04430	1.6
113.05994	9.0
115.05421	1.6
117.07006	3.1
121.06479	9.2
127.03885	2.5
135.08049	7.5
145.06482	4.2
149.05974	8.1
153.05446	8.0
155.03374	8.4
156.04198	5.3
163.07524	11.7
167.07019	100.0
173.05957	5.2
181.08557	9.6
191.07005	86.6
191.80910	1.1
192.07344	1.6
193.60764	1.2
194.05795	1.8
200.53497	1.2
209.08070	43.0
227.09128	54.0
227.12599	2.3
228.09532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	chaetoglocin A
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	0.7
55.05495	1.8
57.03418	0.7
57.07058	0.7
60.40873	0.3
65.03953	0.5
67.01854	0.3
67.05482	2.1
68.99773	1.7
69.03416	2.5
69.07065	1.1
71.04979	1.9
71.80684	0.4
73.06522	0.5
76.99296	0.3
77.03926	0.4
77.94136	0.3
79.05479	2.9
80.33582	0.3
81.07037	1.1
83.00843	0.6
83.01327	7.6
83.04972	1.4
83.08613	0.8
85.02874	0.4
85.06544	2.2
91.05465	3.0
93.07029	3.3
95.04952	3.4
95.08598	1.5
97.06510	0.8
97.10133	0.4
100.11240	1.4
103.05440	1.0
105.07022	0.8
107.04935	2.8
107.08588	3.8
109.06487	1.6
111.04436	1.3
111.08090	0.6
113.05990	11.5
115.05421	1.8
117.06998	4.8
119.08561	0.5
121.06492	9.8
123.04424	0.9
125.05968	0.7
125.09624	0.6
127.03941	2.3
127.07513	0.4
135.08028	7.2
137.02383	0.4
139.03906	1.7
139.07498	1.6
141.05321	0.3
145.06477	4.3
148.05188	0.6
149.04839	0.5
149.05963	6.5
153.05446	8.5
153.08936	0.4
155.03378	7.6
156.04153	5.3
157.04956	0.9
157.10107	0.8
163.06187	0.7
163.07526	11.2
167.07018	100.0
168.07326	1.2
173.05960	5.7
176.04716	0.6
181.08578	9.7
185.09619	0.6
191.07007	83.6
192.07349	1.3
194.05670	1.7
197.09482	0.3
209.08057	41.0
210.08321	0.5
227.09103	50.1
227.12712	1.3
227.14323	1.8
227.17680	1.1
228.09406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05497	5.6
56.47142	1.3
57.03423	1.6
57.07070	3.2
59.04987	2.6
67.05500	3.4
69.03413	2.0
69.07056	5.0
70.37486	1.9
70.37869	2.1
71.04620	2.6
71.04983	37.2
79.05471	5.2
81.03400	2.7
81.07046	9.5
83.04974	4.4
83.08610	9.5
85.02882	3.9
85.06517	3.0
91.05460	4.6
93.07031	5.4
95.04955	2.5
95.08599	12.2
97.06519	11.1
99.04441	100.0
99.08081	2.2
100.49258	1.4
105.03355	1.6
105.07012	6.8
107.04926	1.9
107.08576	35.9
109.06508	30.5
109.10131	3.2
111.08053	1.9
113.09640	4.5
115.35370	1.2
115.96803	1.2
119.08573	7.6
121.06499	2.4
121.10125	17.4
123.08062	24.7
123.11690	17.4
125.05997	2.0
125.09594	8.3
125.17551	1.2
127.07524	1.8
131.08545	3.3
133.10081	1.8
135.11746	1.7
137.06006	1.5
137.09589	4.6
137.13243	1.8
139.11142	3.6
145.10085	1.5
147.11670	11.5
149.09583	17.5
151.07541	3.4
155.10681	2.0
161.13232	3.1
163.11156	3.9
165.09114	2.2
165.12715	16.3
167.10646	33.2
171.11670	1.7
177.12730	1.5
179.14285	3.9
183.13783	41.4
189.12759	10.2
207.10277	1.7
207.13747	13.9
213.29849	1.2
225.14793	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
53.03918	1.4
54.22185	1.1
54.90840	1.1
55.01847	1.2
55.05500	6.2
57.03422	2.3
57.07059	7.3
61.27767	1.1
65.03899	1.4
67.05490	18.0
68.91087	1.1
69.03410	1.7
69.07058	12.8
70.06193	1.0
70.06551	1.9
70.93066	1.2
70.93436	3.8
71.04957	4.1
71.08597	1.6
75.04449	1.3
79.05475	13.3
81.03377	2.1
81.07040	29.3
83.04965	8.4
83.08599	2.3
85.02898	1.3
85.06527	9.2
91.05463	37.2
93.07025	31.3
95.04946	10.9
95.08591	8.7
97.06495	3.6
99.04414	4.4
100.11228	1.2
101.94984	3.7
105.03378	5.6
105.03949	1.1
105.07009	49.8
107.04898	2.3
107.08579	10.8
109.06496	28.6
109.10135	9.6
111.08023	2.1
117.06995	1.2
119.04865	1.4
119.08550	15.5
119.96011	3.0
121.10139	6.0
123.08059	8.1
123.11677	6.5
127.07499	2.1
129.06953	1.6
131.08557	9.8
133.06421	3.0
133.10101	99.6
135.11613	1.4
137.05948	6.0
137.09503	1.5
137.97011	2.1
141.09003	1.6
145.10016	1.6
147.08005	1.6
147.11659	80.5
149.09579	5.4
149.13223	1.5
151.07539	6.7
151.11154	100.0
155.06996	2.0
157.10091	2.4
160.98666	2.6
161.09641	1.2
161.13293	1.2
165.09068	1.8
165.12741	11.1
167.10574	3.2
169.04958	1.6
169.08617	14.3
169.10014	2.4
175.11169	18.4
179.10556	1.5
183.11642	1.6
189.12695	1.2
193.12225	18.9
197.13020	1.2
207.06393	1.4
207.10045	3.2
207.13776	20.6
207.17162	1.1
212.18649	1.3
225.09023	3.4
225.11116	3.5
225.12946	2.4
225.14764	44.0
225.19518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03937	1.4
55.05499	8.0
56.96557	1.3
57.07060	6.8
59.04990	3.4
67.05485	5.9
69.03420	3.0
69.07065	7.2
70.08620	1.4
70.40994	5.0
71.01321	1.7
71.04980	39.8
73.80781	1.2
79.05479	8.3
81.03400	4.1
81.07042	15.0
83.04974	7.3
83.08617	6.6
85.02891	5.5
85.06535	3.4
91.05464	8.2
93.07035	6.8
95.04951	4.7
95.08578	18.7
97.06519	17.5
98.97552	2.0
99.04439	100.0
99.08073	1.6
103.07686	1.4
105.03371	3.2
105.07011	16.1
107.04935	3.1
107.08573	43.6
109.06501	29.1
109.10146	5.7
110.81084	1.3
111.08062	3.5
111.11710	3.0
113.05997	1.8
113.09627	5.6
117.07090	1.5
119.04910	1.8
119.08580	7.7
121.06495	2.8
121.10123	20.3
123.08056	29.4
123.08918	2.5
123.11687	19.2
123.12536	1.8
125.05987	3.2
125.09622	12.8
127.07513	1.3
131.08546	4.5
133.10101	8.6
135.08006	3.1
135.11725	2.3
137.05942	2.7
137.09555	4.6
137.13193	4.3
139.07552	2.4
139.11166	6.1
141.09073	2.6
141.12714	3.0
143.08577	1.7
145.10086	3.3
147.04416	1.7
147.08011	2.0
147.11678	12.6
149.09592	16.2
151.07564	4.4
151.11171	2.2
156.68805	1.3
161.09622	5.5
161.13223	5.2
163.11163	1.6
165.05397	1.3
165.09109	4.5
165.12718	17.6
167.06984	2.1
167.10657	30.4
171.11676	2.3
179.07031	3.3
179.10594	3.1
179.14275	3.6
180.04105	1.9
181.06470	3.7
183.13774	43.3
186.11969	1.5
189.09006	2.4
189.12682	9.6
191.14226	1.8
191.98730	1.3
195.13824	3.4
207.13782	15.9
214.08600	3.9
225.07368	2.6
225.09271	2.5
225.11232	2.4
225.14781	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	225.1481
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.34568	1.5
53.03938	2.4
55.05503	5.8
55.51448	1.7
57.03427	4.7
67.05495	6.4
68.72941	1.4
69.03425	4.0
69.07069	3.0
71.04986	38.3
71.24456	4.5
79.05486	4.7
81.03407	35.2
81.07054	11.1
83.04963	4.6
83.08611	6.5
83.81739	1.6
85.02892	18.1
91.05466	4.6
93.07030	5.2
93.66046	1.4
95.04971	4.0
95.08592	10.8
97.06524	2.7
99.04445	100.0
105.03351	2.4
105.07036	6.7
107.04987	1.6
107.08587	32.6
109.06504	21.2
109.10121	3.0
111.04382	2.2
111.08106	2.4
112.95228	1.6
113.09667	4.8
119.08575	7.2
121.10135	13.4
121.93742	1.6
123.04416	9.1
123.08060	27.0
123.11691	13.9
125.05930	1.8
125.09633	13.7
127.11171	1.8
133.10194	3.1
135.08032	3.8
136.05238	2.3
137.05962	1.7
137.09633	4.6
137.13278	1.7
139.11171	2.9
141.09076	2.5
141.12703	2.4
145.10114	1.9
147.11691	10.3
149.09636	12.6
151.03856	1.6
151.07559	11.0
153.01811	14.6
153.09140	3.9
161.13251	3.4
163.11176	2.9
165.09123	1.9
165.12720	11.8
167.10643	30.9
175.03709	1.7
179.07042	4.7
179.10522	1.8
183.13791	33.7
183.15280	2.8
189.09146	2.0
189.12724	6.5
207.06516	4.1
207.13756	17.1
225.07457	12.5
225.11125	2.2
225.14807	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.59472	2.0
53.03933	5.5
54.22464	2.2
55.01857	7.4
55.05501	15.6
55.34521	2.7
57.03419	5.0
57.07063	6.3
59.04993	3.4
67.05506	17.1
69.03422	18.3
69.07044	7.0
70.50162	2.6
70.59723	2.6
71.04977	5.9
71.53907	3.3
71.54253	5.5
73.02894	4.3
79.05484	16.3
81.03406	6.3
81.07046	34.5
83.04979	32.8
84.00117	2.5
85.02906	17.7
88.86873	2.3
91.05459	18.8
93.07050	22.2
95.04964	11.0
95.08597	54.7
97.06511	10.6
97.10121	3.6
99.04398	4.6
103.43922	2.6
105.07011	36.7
107.08580	53.2
109.02891	6.3
109.06509	60.9
109.07214	5.1
109.10173	5.6
111.08060	3.1
117.06950	4.5
119.08568	41.2
121.06478	6.0
121.10141	32.0
122.10900	5.1
123.08057	100.0
123.11665	14.2
125.09621	5.1
131.08525	3.3
133.06464	10.3
133.10114	16.0
135.08060	3.7
135.11668	54.0
135.12650	3.8
137.09586	4.4
137.13222	6.3
139.07561	4.8
141.09100	38.5
147.08012	9.1
147.11665	32.4
149.09601	10.6
151.07509	18.6
159.11636	4.1
160.67760	2.6
161.09509	4.3
161.13255	45.8
163.11157	5.1
165.12825	6.9
167.10677	9.1
169.08594	5.8
171.11644	5.0
177.12776	7.4
179.14337	8.0
180.04214	2.9
189.12708	24.5
195.13806	5.1
207.06517	4.1
207.13776	71.3
207.35678	2.7
225.07332	3.1
225.14819	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03930	4.3
55.01855	5.9
55.05495	17.4
57.03416	6.0
57.07059	7.1
59.05004	4.6
67.05491	18.1
69.03421	21.7
69.07046	10.5
69.79259	22.4
69.79688	10.5
71.04969	15.1
79.05473	18.7
81.03396	9.1
81.07043	42.3
81.37914	3.7
83.04978	43.9
83.08623	7.4
85.02883	23.3
85.06538	5.7
89.37729	5.0
91.05463	13.1
93.07024	29.4
95.04951	13.9
95.08599	59.3
97.06519	27.1
99.04416	15.7
99.08062	6.8
105.07009	48.3
107.04929	7.5
107.08575	76.7
108.30002	4.3
109.02911	4.2
109.06508	48.5
109.10127	13.3
111.08102	5.9
117.06960	4.9
119.08556	52.9
121.06464	9.7
121.10125	48.4
123.08044	76.0
123.11706	15.9
125.05957	5.9
125.09591	11.5
130.04999	6.3
131.08546	5.1
133.06462	10.0
133.10089	20.6
135.08046	7.6
135.11673	64.3
137.09595	14.1
137.13208	5.5
141.09085	45.6
143.08534	6.1
145.10115	6.1
147.07997	13.0
147.11656	40.7
149.09602	33.0
151.07520	25.8
151.11137	6.3
159.11565	8.2
161.09528	7.7
161.13202	49.8
162.09087	9.2
163.11186	9.8
165.09146	7.0
165.12747	8.4
167.10718	12.7
169.08578	5.8
171.11630	7.6
177.12706	14.4
179.10504	4.8
179.14336	11.7
180.10233	4.2
189.12665	34.8
195.13815	8.0
207.13782	100.0
208.09715	7.8
225.14777	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01859	1.6
55.05499	6.0
57.07057	3.2
59.04990	1.6
67.05498	6.4
69.03417	5.4
69.07057	5.5
70.06591	1.3
71.04980	43.5
71.36684	1.5
72.08133	1.5
79.05482	6.0
81.03419	2.7
81.07043	13.0
83.04984	9.4
83.08593	6.4
85.02911	4.4
85.06529	1.9
85.42224	1.3
85.44186	1.4
91.05466	7.9
93.07030	11.5
95.04945	9.0
95.08610	12.1
97.06519	5.9
99.04442	100.0
99.08061	1.7
105.03384	3.2
105.07001	13.7
107.04951	4.3
107.08578	33.9
107.78006	1.3
109.06508	30.4
109.10150	5.6
111.08102	1.9
113.09634	4.2
115.07582	2.6
119.08577	10.1
121.06485	1.6
121.10126	15.6
121.55392	1.3
123.08056	26.3
123.11700	12.4
125.06020	3.2
125.09611	7.7
131.04245	1.3
131.08543	4.3
133.06467	1.7
133.10104	3.5
135.08066	4.4
136.16151	1.6
137.09605	5.3
139.11189	1.7
145.10103	3.0
147.04274	1.4
147.08075	3.8
147.11665	11.9
149.09610	28.0
151.07512	6.5
151.11153	3.5
159.11601	1.8
161.09615	3.1
161.13280	5.7
163.11200	4.5
165.09123	2.6
165.12772	11.4
167.10651	32.8
169.08609	1.9
171.11671	3.1
179.14331	5.1
180.04193	3.4
183.13774	29.6
189.09108	2.6
189.12712	13.7
193.05040	2.9
207.06558	3.1
207.13766	11.9
225.09305	1.9
225.11298	2.9
225.14832	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1118
Annotation	Senkyunolide I
Peak:m/z	Relative Intensity
53.03945	0.5
55.01870	0.4
55.05505	1.3
57.03424	0.4
57.07068	6.3
59.04989	0.7
65.03933	0.4
67.01859	1.1
67.05495	3.6
68.99789	1.1
69.03420	0.6
69.59021	0.7
69.59447	2.3
71.04974	0.6
78.19849	0.3
79.05482	1.2
81.07046	2.7
81.40386	0.3
83.01323	2.3
83.04951	0.4
83.08622	0.5
85.06524	4.9
88.78519	0.3
91.05483	0.8
93.07024	0.6
95.04967	1.6
95.08588	1.3
97.02926	0.3
99.04458	0.7
99.08076	0.5
99.34490	0.3
105.07008	0.8
107.04939	0.5
107.08552	0.6
109.06500	4.9
109.10159	0.6
111.08074	0.4
119.04942	0.6
119.08566	0.8
123.04418	3.0
123.08061	0.5
123.11673	0.5
125.02271	0.5
125.05982	1.1
127.07558	0.9
133.02885	0.3
133.06456	0.6
133.10139	0.7
137.05957	23.7
137.09599	0.4
138.06293	0.4
141.04439	0.5
141.05453	5.2
143.08559	0.5
147.04422	0.7
147.11731	0.3
149.09639	0.3
151.03885	0.9
151.07500	2.5
153.05447	16.1
161.09671	0.7
165.05460	26.0
165.09103	1.1
165.12695	0.5
167.03365	3.8
167.06993	2.4
169.04942	73.8
170.05275	0.7
171.08040	0.4
174.06793	0.6
177.05437	0.4
178.06297	0.7
179.07001	2.6
179.10648	4.4
180.04175	0.7
183.06506	4.4
189.09071	1.3
192.07802	0.4
207.10139	15.7
225.11182	100.0
226.11490	1.9
230.43414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1119
Annotation	3,4,5-Trimethoxycinnamyl alcohol
Peak:m/z	Relative Intensity
55.05508	3.3
57.03431	6.1
57.07065	4.4
59.04973	0.6
59.21337	0.6
65.03941	2.4
67.05135	1.4
67.05497	29.8
68.39979	0.6
68.99776	1.3
69.03431	1.0
69.07050	0.7
69.79503	3.9
69.79910	1.3
71.04958	1.4
77.71871	0.6
79.05479	2.2
81.07037	8.6
83.01327	9.6
83.04994	0.8
83.08599	0.9
85.06532	68.9
86.06891	0.8
91.05460	1.5
93.07045	1.0
95.04971	2.3
95.08616	1.8
99.04455	2.0
99.08099	2.1
105.03398	0.9
105.07015	1.7
107.08599	1.6
109.06501	16.9
109.10159	1.6
113.05973	0.7
117.06987	0.8
121.06458	0.6
121.10091	0.9
123.04433	2.7
123.08038	4.3
123.11720	1.0
125.02353	1.0
125.05982	1.0
125.09671	0.8
127.07539	31.4
133.10143	1.5
135.08015	1.6
137.05960	41.4
137.09579	3.8
139.03854	1.1
139.11165	1.5
140.04691	1.5
141.05435	9.8
143.08481	1.3
151.03880	1.4
151.07512	6.2
151.11148	1.0
153.05438	5.3
161.06003	0.8
161.09625	2.7
163.07555	4.1
164.08310	0.7
165.05443	3.2
165.09108	11.1
167.07082	3.0
167.10849	0.6
169.04951	9.7
169.08600	3.2
174.06786	3.3
177.05450	2.1
178.06230	7.5
179.06978	2.5
179.10646	19.5
180.04111	0.7
181.08478	1.0
183.10152	2.6
189.09082	8.5
192.07677	0.7
207.10139	100.0
208.10475	2.0
225.11185	86.6
226.11507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1118
Annotation	Diplodiol
Peak:m/z	Relative Intensity
51.36783	0.3
53.03969	1.1
55.19419	0.4
57.03457	1.2
57.07098	1.2
67.05483	2.5
69.03453	1.6
69.49110	4.2
71.04994	2.0
72.94624	0.4
79.05513	0.7
81.07091	1.2
82.73139	0.3
83.01328	12.4
83.04996	0.8
83.69786	0.3
85.06536	3.5
91.05508	1.1
93.07060	0.7
95.04951	4.1
95.08626	1.4
97.06562	0.7
98.20663	0.7
99.04487	0.4
105.06988	2.9
107.08613	0.6
109.06512	1.7
109.10160	0.5
111.04451	0.6
113.05991	22.0
119.08578	0.6
121.06531	1.4
123.08054	5.2
123.11747	0.5
125.05941	2.6
127.07518	1.8
128.06242	0.8
129.07014	0.4
131.08569	0.4
133.10103	2.5
136.08925	0.4
137.05963	4.3
137.09596	2.7
138.06744	2.8
139.03893	0.5
139.07579	1.2
143.08571	2.2
145.10014	0.4
146.07234	3.2
147.08047	0.7
150.99100	0.3
151.07524	17.1
151.11180	1.0
153.05484	1.5
154.06215	3.4
155.07047	3.0
155.08513	0.4
161.09586	6.4
163.07465	0.5
164.08354	2.4
165.09100	3.3
169.08574	4.9
171.07979	1.7
174.06718	2.3
177.05411	2.0
179.10649	29.1
180.11038	0.7
182.70421	0.5
189.09077	21.4
191.06856	0.7
192.07777	18.4
207.10136	100.0
208.10478	1.5
210.10332	0.5
225.11168	66.0
226.11455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1119
Annotation	Vibralactone B
Peak:m/z	Relative Intensity
50.93818	0.6
53.03926	1.2
55.01851	1.3
55.05501	4.6
57.03423	1.3
57.07068	9.8
59.04979	2.2
59.77142	0.7
65.03915	0.8
67.01844	0.8
67.05492	8.2
68.99773	1.5
69.03428	8.4
69.07063	3.8
70.06602	0.9
71.01325	0.8
71.04990	5.8
71.08601	0.9
71.81192	0.8
71.81610	0.8
75.17570	0.6
79.05490	5.4
81.03411	1.2
81.06628	0.6
81.07051	11.1
83.01327	3.1
83.04951	3.6
83.08629	3.5
85.02882	2.5
85.06534	6.2
91.05462	7.3
93.07031	8.1
95.04975	3.5
95.08595	13.6
97.02857	0.8
97.06524	3.7
97.10149	1.5
98.97598	0.7
99.04444	6.5
99.08065	2.0
101.95029	0.7
105.03343	2.5
105.07015	8.0
105.88093	0.6
107.04925	2.2
107.08577	7.1
109.06512	8.4
109.10130	4.9
111.04387	2.1
111.08097	3.0
113.05943	1.1
115.03922	5.8
117.06985	0.8
119.04910	1.8
119.08579	8.5
121.06423	0.7
121.10138	4.5
123.04444	4.0
123.08053	5.9
123.11678	2.8
125.05950	2.8
125.09592	1.8
127.07523	1.4
129.05513	3.7
129.06955	1.0
131.08499	1.1
133.06450	0.9
133.10117	6.0
135.04375	0.8
135.08035	1.0
135.11678	4.3
137.05956	24.2
137.09598	2.2
137.13222	1.0
139.03876	1.5
139.07504	1.4
141.05478	5.0
141.06421	0.8
141.06961	0.8
143.07025	1.0
143.08531	1.1
145.10083	2.1
147.04353	2.3
147.08035	1.3
147.11653	3.0
149.09572	2.6
151.03891	1.2
151.07515	4.2
151.11153	1.4
153.01833	0.9
153.04227	1.0
153.05449	14.4
155.07033	1.2
159.11681	1.0
161.09601	1.6
161.13237	10.9
163.03822	1.8
164.04605	0.8
165.01755	0.8
165.05473	25.6
165.09105	1.1
165.12669	3.5
167.03448	3.8
167.07039	4.0
167.10600	4.2
169.04950	72.2
171.11635	2.4
175.03813	1.2
178.07756	0.8
179.06992	3.7
179.08528	2.7
179.10616	4.7
179.14217	2.3
180.04123	3.3
182.07265	1.2
183.06479	3.9
183.13745	2.2
189.09035	1.9
189.12726	5.3
189.16307	1.6
193.04945	1.9
195.06454	1.1
197.02928	1.1
197.09593	1.4
202.06671	0.9
207.06407	1.3
207.08171	1.3
207.10147	14.9
207.13782	9.3
207.17380	1.2
210.06682	2.9
214.06490	1.2
215.03951	0.9
225.09071	14.0
225.11159	100.0
225.14447	11.7
226.11560	1.4
233.08621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	Spiromassaritone
Peak:m/z	Relative Intensity
57.03433	1.8
67.01865	0.8
67.05463	0.8
68.99780	1.8
69.03415	0.7
69.89469	1.7
69.89883	0.8
71.04971	1.7
79.05502	0.4
81.03427	0.4
81.07051	0.8
83.04968	0.8
85.06497	0.5
86.77900	0.3
91.05461	0.4
93.06999	0.4
95.04955	2.6
95.08622	0.7
97.06524	0.5
98.20662	0.3
99.04446	2.8
99.08080	0.4
105.07024	1.2
109.06509	1.7
111.00780	0.9
111.04445	0.7
113.05978	0.9
115.72106	0.4
123.04419	56.1
123.08051	2.6
127.03918	3.8
129.01717	0.5
133.06470	1.0
139.03885	7.0
151.04005	1.9
151.07526	26.5
152.08141	0.4
153.01811	81.7
154.02158	0.3
155.03386	2.4
155.06975	0.4
161.05974	1.6
165.01817	2.0
165.05415	0.7
168.66006	0.3
171.02879	1.2
175.95622	0.4
179.07021	32.9
180.07388	0.6
188.44635	0.4
189.69763	0.4
197.08067	7.3
207.06511	20.7
207.13820	0.5
208.07019	0.6
225.07549	100.0
226.07896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1117
Annotation	Senkyunolide I
Peak:m/z	Relative Intensity
55.05488	1.8
57.03418	1.8
57.07070	7.2
59.04981	1.1
65.03601	0.4
65.03922	1.3
67.05495	12.1
68.99779	1.2
69.03394	1.0
69.07066	0.6
69.13534	0.3
69.24847	0.4
71.01337	0.4
71.04983	0.7
71.20345	1.1
79.05457	1.4
81.03392	0.4
81.07044	4.6
83.01323	4.5
83.04949	0.7
85.06532	28.2
91.05453	1.5
91.75875	0.5
95.04948	1.3
95.08575	1.3
97.06531	0.5
99.04418	0.8
99.08075	2.0
101.95017	0.8
105.03380	0.8
105.06995	0.6
107.08546	0.6
109.06508	8.9
119.08527	0.6
119.96040	0.4
121.06506	0.7
121.10112	0.7
123.04416	2.7
123.08041	2.2
125.05946	1.6
127.07540	11.7
133.06522	0.6
133.10097	1.1
135.08011	0.4
137.05957	30.6
137.09569	1.6
137.41304	0.4
139.03864	0.6
139.07469	0.6
139.11110	0.6
140.04651	0.6
141.05437	7.1
141.09081	0.5
143.08522	1.0
146.07190	0.5
147.04398	0.5
151.03876	1.1
151.07541	4.1
153.05449	11.5
161.09612	1.7
163.07521	1.7
165.05452	16.1
165.07767	0.6
165.09102	4.8
167.03328	2.5
167.07033	2.3
169.04939	51.0
169.08578	1.1
170.05254	0.8
174.06731	1.3
177.05429	0.6
178.06221	3.8
178.99817	0.4
179.07072	2.8
179.10648	10.4
183.06544	2.2
183.10136	1.3
189.09084	4.7
192.07782	0.8
207.10135	44.8
208.10500	0.9
225.11182	100.0
225.14816	2.5
226.11467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1277
Annotation	Maokonine
Peak:m/z	Relative Intensity
56.96534	0.8
58.06591	4.3
59.04990	1.5
64.76611	0.7
67.05511	0.8
68.05016	1.2
69.03422	1.5
70.06610	1.3
71.44778	1.1
71.45123	0.7
72.08144	2.3
72.55240	0.6
79.05475	4.6
81.03393	1.0
81.07050	1.7
82.06583	0.8
83.04971	1.2
84.08141	1.6
85.02901	0.9
86.09700	0.9
91.05460	11.2
91.77443	0.6
93.07051	1.1
95.04960	2.1
95.08567	0.8
97.02872	0.7
103.05445	11.4
105.03411	1.3
105.07011	35.1
107.04958	4.6
107.08582	1.2
109.06487	0.6
110.06032	1.1
111.04400	0.7
111.08030	0.7
115.05451	0.9
117.07020	1.5
118.06524	13.3
119.04938	3.4
119.07319	1.4
120.08080	21.8
121.08389	0.9
123.04413	2.6
128.06200	5.0
130.06508	2.6
131.04918	3.8
131.07326	3.3
131.08569	1.6
132.08081	2.2
133.10085	0.9
136.07553	12.8
136.08519	1.3
143.08536	4.9
146.99629	0.7
147.04352	3.2
147.08092	1.1
149.02278	1.2
150.02679	1.8
150.09050	0.8
158.09613	0.7
160.11188	100.0
161.06062	0.8
161.11545	1.8
165.05444	2.7
165.09018	0.7
175.03816	1.0
178.08859	4.0
178.12238	97.2
179.12561	1.8
182.08113	1.8
206.08057	0.6
206.11714	15.0
207.06514	2.3
219.01730	0.7
224.09201	2.8
224.12769	50.7
225.04182	1.5
226.04259	2.4
227.03954	0.9
228.02208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02275	1.1
56.96543	1.5
64.71604	1.1
69.83041	3.8
69.83452	4.4
74.85427	1.0
82.20820	1.1
84.96024	3.3
98.21415	2.2
98.97562	3.5
101.00866	19.8
114.91068	1.1
116.98610	2.1
119.01899	100.0
120.02021	1.4
124.02395	2.2
134.99770	1.2
137.02936	33.6
137.03987	1.7
138.03174	1.4
142.03474	63.4
143.03651	1.8
158.09543	1.2
160.04549	20.3
161.02927	19.3
165.05127	2.3
177.00928	16.5
179.03987	40.1
184.04581	4.2
187.99272	6.4
188.49312	2.2
190.49548	4.6
190.99542	2.5
196.99571	1.3
199.50052	24.1
200.00055	10.4
200.49997	2.0
201.00732	3.3
202.00302	4.2
202.05595	4.8
202.11113	1.1
202.50394	1.9
208.50467	1.5
209.00797	2.0
211.00832	11.1
211.50908	3.9
215.44814	1.2
217.03889	1.3
219.01996	11.7
219.50746	1.1
220.02124	2.1
238.95569	2.6
239.95338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0913
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
56.96545	0.6
71.46411	0.4
71.46745	0.5
91.05461	11.2
93.07019	0.3
95.04948	1.6
97.10918	0.3
107.04942	0.4
117.78185	0.3
118.06496	0.5
119.04922	15.0
120.05310	0.4
123.03514	0.7
123.04413	11.1
132.08084	0.3
136.07552	100.0
137.07893	0.7
147.04379	5.8
165.05444	17.9
169.85869	0.3
178.08603	21.7
182.08092	20.1
201.00598	0.3
206.08083	0.6
224.09111	1.0
237.12381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52375	0.3
53.03937	0.6
55.01870	0.5
55.05506	0.9
56.96554	100.0
57.03428	1.3
57.07051	0.7
57.89928	0.3
61.02909	0.9
62.53243	0.3
65.03938	0.7
67.05482	1.8
67.37466	0.3
69.03421	1.3
70.06573	0.3
70.96335	0.9
70.98109	0.5
71.04986	0.8
71.95252	5.3
72.08149	0.6
73.02905	2.0
74.97596	2.3
77.00919	0.3
77.01572	0.4
80.84910	0.3
81.03413	0.6
83.04972	1.2
84.04465	0.5
84.08124	1.1
84.96037	2.1
85.02875	2.7
88.92418	0.3
91.05475	1.0
93.03383	0.4
95.04959	1.5
95.08585	0.4
97.02856	1.8
97.99189	0.5
98.97570	4.3
99.04445	1.5
100.02455	0.4
101.00838	0.6
102.01525	0.4
102.97046	0.4
103.02322	0.7
109.02869	1.5
110.01307	0.5
110.97563	1.0
111.00235	0.4
111.02031	0.5
111.04448	0.6
112.04942	0.3
113.02372	0.4
115.00697	1.3
116.01260	0.4
116.98608	3.7
117.03990	1.2
118.03543	0.5
119.01863	5.9
119.03598	0.4
119.04939	1.5
123.04423	0.9
125.01807	0.6
127.03912	3.3
128.02315	0.7
128.98615	1.7
129.10262	0.6
131.01898	1.3
132.01982	1.3
132.03484	0.3
133.01711	1.6
134.02286	0.8
134.99658	2.2
135.05016	0.5
136.06178	2.5
136.07542	5.1
137.02910	1.5
139.00630	3.0
142.03484	2.1
143.00139	0.8
143.01027	0.4
143.01917	0.7
143.53322	0.5
145.04916	0.8
146.99641	1.8
147.04355	4.0
148.04794	0.5
149.02870	0.5
150.01758	0.6
150.02946	1.1
151.02766	0.3
152.53876	1.3
155.03670	1.1
156.03442	0.4
157.01686	7.9
158.97430	0.4
158.99615	1.2
159.03226	0.4
159.05037	0.6
160.02785	0.4
160.04572	1.1
161.01195	1.4
161.02844	1.8
161.04401	0.3
161.54460	1.8
164.98630	0.4
165.05373	0.8
170.05095	0.7
171.03142	0.5
173.01213	1.4
173.02892	1.3
173.04504	0.5
174.04385	0.5
175.02756	49.4
176.98326	0.7
177.00688	2.6
178.01045	1.0
178.02608	0.7
178.08563	1.6
179.02319	0.6
179.03973	0.6
182.08069	0.8
182.99576	3.7
183.02948	0.5
183.05083	0.6
184.04530	0.8
185.01233	0.5
185.02863	0.6
187.02728	0.6
189.00691	0.5
189.04077	1.0
191.02284	0.4
191.04053	0.4
192.03769	0.6
192.05438	2.4
193.03809	38.1
198.04338	2.7
201.00674	38.0
201.02161	1.4
201.04178	2.7
201.06053	4.9
203.04024	0.6
204.02650	0.7
211.04878	1.0
212.98296	0.5
216.05383	1.2
219.01724	48.8
219.05260	1.2
220.02077	0.6
224.02151	2.6
224.04010	0.4
224.09419	0.6
224.11209	2.3
226.04300	0.5
237.02769	3.0
242.03159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Stachyline C
Peak:m/z	Relative Intensity
53.03925	2.0
55.01866	6.2
55.05504	24.4
57.03439	1.0
57.07066	3.4
58.99577	1.8
59.04987	2.1
59.94579	0.6
61.01132	0.8
67.05487	4.0
69.03413	2.9
69.07059	1.8
71.05003	1.8
71.80712	1.1
71.81091	0.8
73.02907	0.8
77.00623	3.0
79.05486	8.4
79.18018	0.9
80.05789	0.8
81.03425	3.5
81.07046	5.9
81.85397	0.7
83.04973	33.7
83.08610	22.3
85.02895	6.2
85.06521	1.6
86.94939	0.8
86.99052	1.2
89.00612	1.1
91.05471	11.0
93.07036	19.3
94.06561	0.7
95.04961	6.5
95.08589	4.7
97.02866	2.6
97.06519	11.1
98.98462	0.8
99.04442	1.7
101.09615	1.2
103.05447	1.6
105.00097	1.9
105.07008	6.3
107.04947	6.6
107.08581	6.2
109.02861	0.9
109.06511	9.2
109.10165	2.3
111.04433	1.6
111.08086	2.3
117.07006	2.3
119.08578	5.3
121.02827	1.8
121.06494	100.0
121.10127	2.7
122.06851	1.0
123.08039	8.3
125.05981	45.6
125.09573	1.0
129.06949	0.9
131.08551	4.5
132.95863	0.8
133.06456	1.5
133.10133	4.4
135.04442	1.4
135.08038	2.9
135.11688	3.1
137.09590	3.9
139.07526	2.0
144.09372	0.9
145.10103	5.0
147.08028	4.8
147.11674	1.3
149.02328	8.2
149.05965	6.0
149.09647	3.1
149.13249	1.2
151.07526	0.8
153.09129	0.8
159.08110	3.6
159.11690	5.1
161.09564	2.0
161.13188	0.7
162.06702	0.7
163.07594	1.3
163.11168	11.3
163.66304	0.8
165.09073	4.2
167.07025	74.5
169.10114	0.8
173.02910	0.7
175.11252	0.8
176.23627	0.8
177.09131	4.1
177.12752	4.3
179.06964	1.1
181.03998	1.4
181.12251	3.2
187.07559	1.3
187.11194	2.5
193.12361	1.2
195.13811	0.8
205.04933	0.7
205.08662	7.4
205.12250	8.7
223.05957	1.5
223.09702	4.9
223.13252	20.5
223.16924	1.7
224.13322	0.7
225.04282	3.1
227.02164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
55.01852	7.1
55.05505	17.2
56.96534	4.4
57.03415	4.0
57.07076	4.6
57.66395	2.7
59.04995	43.1
61.02906	5.8
64.37513	2.4
65.32269	2.3
67.05492	12.1
69.03423	17.1
69.07071	12.1
71.03845	9.2
71.04974	6.8
79.05480	14.3
81.03394	5.8
81.07050	13.2
83.01344	2.5
83.04973	22.4
85.02896	19.5
85.06514	8.2
85.67117	2.3
87.04467	2.6
89.06029	23.6
91.05470	22.8
93.07040	43.3
95.04967	18.4
95.08587	20.2
97.02881	5.4
97.06512	4.8
97.10143	10.1
98.97559	4.0
99.04438	4.1
103.05447	2.8
103.07552	10.8
105.07022	24.7
107.04923	4.7
107.08587	29.2
109.02842	3.1
109.06509	33.7
109.10153	9.2
111.04417	4.6
111.08059	12.1
113.05987	10.7
115.05415	3.1
115.83894	2.4
116.98602	4.3
117.07002	6.9
119.08582	25.2
121.06497	66.2
121.10139	19.5
123.04423	4.4
123.08080	19.6
125.06002	5.0
125.09582	5.3
129.06995	4.0
131.08565	11.5
133.10129	16.9
135.08046	35.3
135.11703	12.7
137.09631	20.1
139.07512	8.7
142.92099	2.9
143.08510	3.2
144.09320	4.4
145.06461	3.4
145.10150	18.9
146.07259	2.8
147.08006	10.8
147.10104	3.3
149.02330	21.4
149.05956	9.3
149.09607	89.8
149.13200	5.1
151.07545	2.5
151.11147	3.2
153.09116	7.5
158.99724	2.5
159.08051	7.3
159.11682	21.2
161.09604	21.2
163.07533	2.8
163.11177	35.2
165.09117	32.6
167.07025	9.4
172.08813	3.2
175.11156	4.5
177.00751	2.5
177.04213	4.2
177.09100	8.1
177.12698	38.2
179.10701	25.4
179.77715	2.5
181.08585	3.0
181.12181	5.1
187.11157	15.8
195.13705	3.2
205.04988	4.6
205.08653	9.1
205.12219	62.7
223.02274	6.6
223.06012	9.5
223.09630	10.4
223.13269	100.0
225.04237	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	223.0956
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03928	0.3
55.01849	0.4
57.03415	0.4
60.45953	0.2
65.03911	0.2
67.05478	0.4
69.03110	0.2
69.03419	2.5
71.81425	0.3
79.05483	1.6
81.03403	0.2
81.07051	0.4
83.01331	12.5
83.04944	0.2
84.01630	0.2
85.02877	0.5
91.05462	5.1
93.07037	3.1
95.04958	0.9
95.93967	0.2
101.76289	0.2
103.05460	0.4
105.07005	1.5
107.04923	0.5
107.08576	2.2
109.02857	0.4
109.06528	1.1
113.06051	0.2
115.05437	0.9
116.06210	1.3
117.07008	1.7
119.04890	0.6
119.08559	0.5
121.06490	7.7
121.10131	2.5
123.04393	0.3
123.08049	0.6
129.06987	1.0
131.08549	6.0
133.06512	1.1
133.10103	0.3
134.07240	0.9
134.34131	0.2
135.08038	10.7
138.51811	0.2
141.06947	0.3
144.05678	0.9
145.06447	0.8
146.07239	0.3
147.04350	0.9
149.05998	1.5
149.09599	8.7
153.05432	0.9
159.08037	10.3
161.05983	1.3
162.06741	13.6
163.07526	15.4
164.07874	0.3
165.05507	0.2
166.05779	0.7
167.05980	1.6
177.09090	25.5
178.09459	0.3
181.08647	0.3
187.07527	8.0
188.08054	0.2
190.06198	1.1
205.08574	100.0
206.08916	1.3
223.09624	35.7
224.09981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.096
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03955	0.4
55.01866	0.7
57.03425	0.6
57.49311	0.1
67.05500	0.5
69.03421	2.0
69.45819	0.4
69.46227	1.4
79.05489	1.5
81.03409	0.3
81.07053	0.3
83.01328	12.7
85.02896	0.3
91.05464	5.6
93.03410	0.2
93.07030	3.0
95.04962	0.8
95.08612	0.2
102.43512	0.1
103.05479	0.3
105.07013	2.1
106.07837	0.2
107.04931	0.5
107.08575	2.5
109.02866	0.4
109.06490	1.1
109.10126	0.2
115.05463	1.0
116.06223	1.0
117.07012	1.8
119.04930	0.5
119.08573	0.5
121.02922	0.2
121.06490	8.0
121.10134	2.6
123.04463	0.3
123.08059	0.7
128.06184	0.2
129.06992	1.0
131.08549	6.1
133.06512	0.8
133.10097	0.2
134.07243	1.1
135.08035	10.1
137.05931	0.2
141.06966	0.5
144.05707	0.9
145.06477	0.8
146.07278	0.3
147.04369	0.9
148.05220	0.2
149.02298	0.2
149.05972	1.6
149.09596	9.1
153.05467	1.6
159.08031	10.9
161.05974	1.3
161.09673	0.2
162.06740	14.6
163.07518	15.3
167.05911	0.3
177.09085	24.1
178.09392	0.3
181.08531	0.4
187.07526	7.9
190.06218	1.1
205.08569	100.0
206.08916	1.4
223.09618	38.6
224.09962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0959
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03932	0.5
55.01863	0.6
57.03419	0.5
58.42632	0.3
58.74565	0.3
67.05476	0.4
69.03422	2.5
70.63992	0.3
71.82043	0.4
79.05473	1.7
81.07043	0.6
83.01332	12.4
85.02869	0.3
91.05474	5.7
93.07037	3.0
95.04945	1.0
103.05502	0.3
105.07018	2.2
107.05019	0.6
107.08591	2.1
109.02875	0.5
109.06497	1.1
115.05419	1.1
116.06196	1.6
117.06990	1.8
119.04909	0.6
119.08567	0.3
121.06495	7.1
121.10117	2.1
123.04412	0.4
123.08022	0.6
129.06981	1.2
131.08548	6.5
133.06433	1.0
134.07251	1.1
135.07028	0.6
135.08041	10.5
141.07014	0.6
144.05710	1.1
145.06468	1.0
146.07298	0.4
147.04414	0.9
149.05981	1.6
149.09599	9.4
153.05438	0.8
159.08040	9.6
161.05927	1.4
162.05380	0.7
162.06746	14.5
163.07529	14.5
164.07870	0.3
165.05440	0.3
166.05766	0.7
167.05992	1.7
177.09093	25.4
181.08620	0.5
187.07516	7.6
188.58775	0.3
190.06210	1.3
205.08580	100.0
206.08893	1.1
223.09627	36.2
224.09760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.096
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.02385	0.2
53.03942	0.2
55.01862	0.6
55.05508	0.3
57.03420	0.7
59.04987	0.2
65.03938	0.3
67.05492	0.5
69.03423	2.3
69.47272	2.2
69.92146	0.2
79.05489	1.7
80.13507	0.2
81.03393	0.4
81.07037	0.4
83.01329	11.8
83.04982	0.4
85.02872	0.6
88.92281	0.2
91.05460	5.5
93.07031	3.0
95.04972	1.0
95.08581	0.4
103.05466	0.3
105.07018	2.3
107.04949	0.7
107.08581	2.4
109.02863	0.3
109.06470	1.0
113.05952	0.2
114.01569	0.2
115.05410	1.0
116.06213	1.3
117.06991	1.5
119.04922	0.6
119.08565	0.8
121.06488	7.1
121.10113	2.2
123.04390	0.4
123.08057	0.6
125.05986	0.4
129.06981	0.8
131.07550	0.3
131.08543	6.1
133.06458	1.0
133.10120	0.3
134.07277	0.8
135.04398	0.3
135.08034	9.9
137.05984	0.4
139.07524	0.3
141.06955	0.6
144.05681	0.9
145.06465	0.9
147.04385	0.8
147.07974	0.2
148.05122	0.2
149.02315	0.6
149.05974	1.7
149.09599	9.6
153.05438	2.4
159.08032	9.3
161.06039	1.0
162.06738	13.9
163.07520	14.2
166.05804	0.2
167.05931	0.8
167.07159	0.4
177.09082	23.5
181.08522	0.5
187.07513	7.0
190.06226	0.8
205.08569	100.0
206.08913	1.1
223.09616	39.2
223.16878	0.5
224.09836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0955
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03932	0.4
55.01859	0.8
55.05500	0.2
57.03426	0.5
59.04969	0.2
67.05495	0.5
67.27032	0.1
69.03423	2.4
69.63338	1.5
79.05476	1.5
81.03386	0.4
81.07038	0.3
83.01327	12.0
85.02874	0.4
91.05461	5.6
93.06496	0.3
93.07034	3.4
95.04942	1.1
95.08567	0.3
97.06548	0.2
101.74883	0.2
103.05428	0.2
105.03360	0.2
105.07001	2.7
107.04924	0.7
107.08572	2.2
109.02876	0.5
109.06504	1.5
109.10149	0.2
111.04365	0.2
113.05968	0.2
115.05418	1.1
116.06208	1.4
117.07016	1.8
119.04926	0.5
119.08585	0.7
121.06487	7.3
121.10117	2.4
123.04416	0.3
123.08049	0.8
125.05927	0.4
127.03869	0.3
128.06281	0.2
129.06970	1.1
131.04942	0.3
131.08548	6.1
133.06500	0.8
133.07362	0.1
133.10072	0.3
134.07257	1.1
135.04390	0.2
135.08031	10.5
137.05978	0.2
138.06268	0.2
139.06511	0.4
141.06940	0.4
144.05690	0.9
145.06458	0.9
146.07269	0.3
147.04375	0.9
148.05200	0.3
149.02361	0.8
149.05959	1.8
149.09593	9.3
153.05452	3.2
155.05843	0.2
159.08035	11.1
161.05956	1.5
161.09616	0.3
162.06737	13.6
162.48425	0.2
163.07521	15.7
165.05460	0.6
165.06781	0.2
166.05782	2.8
167.03514	0.2
167.05971	6.0
171.57159	0.2
173.02588	0.2
173.13239	0.2
177.09087	25.5
178.09531	0.2
181.08559	0.6
187.07516	8.4
190.06229	1.4
193.10168	0.2
205.08569	100.0
206.08905	1.4
223.09625	38.1
223.12186	3.6
224.09943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.096
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.14688	0.2
53.03935	0.3
53.46549	0.2
55.01864	0.5
57.03439	0.5
67.05507	0.4
69.03426	2.0
69.72475	1.6
70.93470	0.2
79.05482	1.1
81.07059	0.3
83.01331	12.5
85.02890	0.5
91.04919	0.4
91.05466	5.3
93.07033	3.1
95.04950	0.7
103.05458	0.3
105.07012	2.0
105.73935	0.2
106.07826	0.3
107.04945	0.5
107.08568	2.3
109.02879	0.3
109.05798	0.2
109.06468	1.1
113.06011	0.3
115.05442	1.4
116.06248	1.5
117.07001	1.7
119.04936	0.6
119.08553	0.5
121.06491	7.5
121.10135	2.4
123.04461	0.3
123.08044	0.6
124.66324	0.2
128.06209	0.3
129.06943	0.7
131.08553	6.3
133.06433	0.8
134.07243	1.1
135.08035	10.8
135.11629	0.2
141.06981	0.2
144.05693	0.7
145.06470	0.9
147.04369	0.8
148.05113	0.3
149.06012	1.6
149.09607	9.6
153.05426	1.1
159.08041	10.4
161.05977	1.6
162.06744	14.9
163.07529	15.4
165.05396	0.3
177.09094	25.4
178.09398	0.3
181.08534	0.3
187.07529	7.7
190.06154	1.7
205.08575	100.0
206.08923	0.9
223.09627	38.8
224.09946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0958
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03955	0.3
55.01865	0.8
57.03424	0.6
57.44467	0.2
58.23164	0.2
65.03931	0.2
67.05511	0.4
69.03413	2.4
69.48186	2.0
72.39729	0.2
79.05487	1.4
81.03407	0.3
81.07067	0.2
83.01326	12.4
83.04910	0.2
85.02894	0.4
91.05465	5.6
93.07024	3.2
95.04956	0.8
103.05431	0.4
105.07011	2.1
107.04920	0.5
107.08584	2.2
109.02856	0.2
109.06503	1.2
109.10176	0.2
111.04431	0.2
113.05976	0.2
115.05421	1.0
116.06206	1.3
117.07014	2.3
119.04912	0.4
119.08562	0.6
121.06487	7.3
121.10131	2.2
123.04453	0.3
123.08045	0.6
128.06155	0.2
129.06995	1.1
131.08546	5.8
133.06458	0.7
133.10101	0.4
134.07256	1.1
135.08032	9.7
141.06960	0.5
144.05688	0.8
145.06509	0.9
146.07269	0.3
147.04396	0.9
148.05177	0.3
149.05948	1.7
149.09593	9.3
153.05452	0.3
159.08032	10.0
161.05936	1.5
162.06737	13.2
163.07518	14.9
167.07028	0.4
169.85452	0.2
177.09084	25.8
178.09421	0.3
181.08559	0.7
181.75349	0.2
187.07512	7.0
190.06238	1.0
205.08568	100.0
206.08905	1.2
223.09618	37.1
224.09839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0954
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
50.93774	0.3
53.03911	0.5
55.01840	0.5
57.03393	0.3
60.94726	0.3
66.33714	0.3
69.03412	2.0
70.03516	2.0
79.05474	1.7
81.03419	0.4
83.01323	12.1
89.41463	0.3
91.05473	4.8
93.07031	3.3
95.04922	1.0
105.07024	2.4
107.04913	0.8
107.08588	2.3
109.02788	0.5
109.06461	1.3
115.05408	1.4
116.06251	1.6
117.07021	1.7
119.04919	0.5
119.08553	0.6
121.06489	7.0
121.10114	2.3
123.08035	0.8
129.06963	0.8
131.08546	6.3
133.06458	0.9
134.07225	0.9
135.08034	9.5
141.06911	0.6
144.05666	1.0
145.06464	0.7
146.07187	0.4
147.04358	0.8
149.05959	1.6
149.08372	0.4
149.09592	9.7
153.05382	1.1
159.08029	10.3
161.05951	1.5
162.06737	15.3
163.07520	14.9
165.05429	0.4
166.05763	0.9
167.03404	0.4
167.05890	1.7
177.09082	25.4
178.09502	0.5
181.08563	0.7
187.07532	7.5
190.06216	0.9
205.08568	100.0
206.08914	1.0
223.09621	38.2
224.10017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0957
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.61167	0.2
53.03946	0.3
55.01867	0.9
55.05506	0.2
56.50599	0.2
57.03427	0.8
57.07055	0.3
67.05505	0.3
69.03426	2.1
71.05008	0.2
71.36314	0.7
77.03938	0.3
79.05488	2.1
81.07057	0.6
83.01326	12.7
83.04955	0.3
88.08423	0.3
91.05466	5.6
93.07037	3.4
95.04947	1.0
95.08616	0.4
103.05527	0.2
105.07017	2.3
107.04964	0.6
107.08573	2.7
109.02873	0.5
109.06506	1.3
109.10130	0.4
114.04517	0.2
115.05420	1.3
116.06220	1.0
117.07008	1.8
119.04881	0.5
119.08550	0.7
121.06494	8.4
121.10136	2.6
123.08044	0.9
129.06975	1.1
131.08560	5.9
133.06494	0.7
134.07277	0.9
135.08035	10.8
141.06960	0.7
144.05724	0.8
145.06439	0.7
146.07246	0.3
147.04420	0.8
149.02335	1.1
149.05965	1.3
149.09601	9.9
151.03879	0.2
153.05472	0.7
159.08029	10.0
161.05937	1.6
161.09676	0.3
162.06741	12.8
163.07524	15.4
166.05795	1.3
167.03435	0.5
167.05951	2.2
177.09085	24.4
181.08649	0.4
187.07524	7.4
190.06239	1.2
205.08571	100.0
206.08945	1.4
223.09613	37.5
223.11795	1.3
224.09935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.096
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03979	0.4
55.01908	0.8
55.05553	2.6
57.03482	1.2
57.07122	2.4
59.05032	0.8
65.03988	0.5
67.05498	2.0
69.03423	2.9
69.07057	6.7
69.68594	3.3
71.05047	1.2
71.08652	0.6
79.05481	3.1
80.05032	0.4
81.03433	0.4
81.07046	4.5
83.01328	12.7
83.04979	1.0
83.08596	2.4
85.02932	0.7
85.06580	0.7
91.05461	5.9
93.07025	7.2
95.04967	2.1
95.08584	3.9
97.06564	0.9
97.10222	1.3
98.98492	0.9
103.05512	0.4
105.07010	3.5
107.05012	1.1
107.08576	5.5
108.04533	0.6
109.02909	0.8
109.06570	1.5
109.10136	2.8
111.08085	0.9
111.11748	0.4
113.06035	1.3
115.05513	1.0
116.06287	1.3
117.06987	2.1
119.08599	1.3
121.02901	0.6
121.06485	8.4
121.10117	4.7
123.08117	1.6
123.11733	1.7
125.05988	0.6
129.07027	0.9
131.05023	0.5
131.08546	7.2
131.09442	0.5
133.06532	0.9
133.10185	0.7
134.07277	0.9
135.04480	0.5
135.08031	12.0
135.09055	0.7
135.11732	1.6
137.06070	0.6
137.09589	0.4
139.03877	0.9
139.07588	0.7
139.11214	0.5
141.07039	0.7
144.05716	1.0
145.06499	0.7
145.10104	0.9
146.07175	0.4
147.04404	0.9
147.11754	0.7
149.02324	6.7
149.04991	0.4
149.05956	2.0
149.09589	9.5
149.10661	0.7
149.13235	2.9
151.47745	0.4
153.05458	1.9
153.09062	0.5
159.08038	9.9
161.05988	1.2
162.06737	14.3
163.03928	0.9
163.07521	14.9
163.08885	0.9
163.11185	1.3
165.07025	0.5
165.09119	0.5
166.07726	0.4
167.03371	2.3
167.07042	1.1
173.13318	0.8
177.05556	1.0
177.09077	25.2
177.16321	0.6
180.09354	0.5
181.08569	1.8
187.07521	8.2
190.06229	1.4
193.10222	0.7
195.08099	0.5
195.11620	0.7
205.08566	100.0
205.15811	1.3
205.19452	2.1
206.08955	1.3
223.05986	2.0
223.09584	40.7
223.13213	2.3
223.14871	1.0
223.16693	3.2
223.20486	7.0
225.04234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.096
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03934	0.3
55.01861	0.6
57.03420	0.6
67.05482	0.5
68.51501	0.2
69.03419	2.1
69.95985	1.2
79.05475	1.9
81.07053	0.3
83.01328	12.4
83.05010	0.2
85.02868	0.3
91.05457	4.6
91.05984	0.4
93.07037	3.5
95.04947	1.0
103.05458	0.4
105.07015	2.2
107.04957	0.7
107.08545	2.1
109.02889	0.3
109.06509	1.0
115.05435	1.1
116.06243	1.7
117.07006	1.5
119.04912	0.7
119.08545	0.5
121.06484	7.0
121.10120	2.3
123.04398	0.2
123.08050	0.5
129.06984	0.8
131.08549	6.6
133.06435	0.5
134.07249	0.9
135.08035	9.5
141.06993	0.6
144.05711	0.8
145.06500	0.7
147.04384	0.8
148.05173	0.5
149.05925	1.6
149.09595	8.8
159.08025	9.5
161.05971	1.1
162.02953	0.3
162.06737	13.6
163.07515	14.5
167.07079	0.3
177.09082	23.6
178.09441	0.5
187.07518	7.2
190.06195	1.3
205.08566	100.0
206.08908	1.2
223.09610	35.2
224.09949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0955
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
50.40331	0.1
53.03942	0.2
55.01868	0.6
55.05500	0.3
57.03427	0.6
57.07072	0.2
65.03939	0.2
67.05494	0.4
68.99789	0.2
69.03418	2.5
69.07064	0.1
69.46899	1.2
71.04976	0.1
72.69903	0.1
75.84785	0.1
76.29131	0.1
77.03928	0.2
79.05481	1.6
79.83872	0.1
81.03404	0.3
81.07052	0.5
83.01328	13.0
83.04956	0.3
85.02886	0.4
85.06583	0.1
91.05468	5.6
92.05746	0.1
92.06293	0.1
93.07030	3.4
95.04947	1.1
95.08594	0.4
95.20107	0.1
99.04439	0.2
103.05477	0.3
105.07016	2.3
106.07798	0.2
107.02744	0.1
107.04955	0.5
107.08576	2.1
107.09251	0.2
109.02892	0.3
109.06507	1.2
109.10105	0.2
111.04440	0.2
113.06016	0.2
115.05427	1.1
116.06221	1.2
117.07004	1.9
119.04936	0.6
119.06032	0.1
119.08585	0.6
121.02888	0.2
121.06490	7.2
121.10120	2.5
123.04430	0.3
123.08037	0.7
125.34840	0.1
128.06206	0.2
128.08812	0.1
129.06976	1.0
131.04962	0.2
131.08549	6.3
133.06470	0.9
133.10107	0.3
134.07253	1.1
135.08032	9.7
136.08400	0.2
137.05962	0.2
137.09564	0.1
139.03934	0.1
139.07527	0.2
141.06960	0.5
144.05678	1.0
145.06485	1.0
146.07266	0.3
146.95206	0.1
147.04352	0.8
147.08160	0.1
148.05145	0.2
149.02301	0.8
149.05957	1.6
149.09596	9.4
150.09991	0.2
151.07564	0.1
153.05432	0.3
153.09193	0.1
159.08034	10.5
160.08716	0.1
161.05956	1.3
161.09631	0.4
162.06740	14.9
163.07518	16.0
164.07899	0.2
165.05678	0.1
165.06990	0.3
167.07092	0.2
167.10670	0.1
169.06384	0.1
177.09085	25.2
178.09444	0.3
179.08490	0.2
180.09274	0.2
181.08527	0.6
181.10109	0.4
187.07520	7.1
188.08058	0.2
190.06248	1.3
193.10205	0.2
195.11671	0.2
205.08569	100.0
206.08894	1.4
208.08806	0.3
208.12483	0.2
223.09598	38.0
223.14691	1.0
224.09901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02592	2.2
56.96553	23.9
57.07066	5.1
58.69329	2.3
60.95848	3.6
69.16408	2.8
71.75817	4.0
73.64317	2.4
93.07011	2.6
93.22215	3.1
98.97570	85.3
100.02460	3.5
102.96860	10.8
115.81960	2.4
116.98607	100.0
118.03499	2.6
119.01907	20.7
120.01991	21.3
120.97902	7.5
121.01627	7.7
134.56378	2.8
134.99649	76.7
137.02902	8.3
138.03088	6.7
138.98935	9.5
139.02667	4.4
140.00201	8.4
151.01726	3.2
153.00676	12.8
156.97456	16.7
157.03474	8.2
158.01248	35.0
158.99641	3.0
161.91467	2.7
162.03120	5.3
172.04523	3.2
174.98534	29.2
176.02281	11.3
177.00749	7.9
180.04100	14.6
181.00069	4.6
198.98814	5.3
199.00948	4.3
199.04482	8.2
199.08206	7.7
200.04056	4.2
216.99783	21.1
217.01752	3.4
217.05661	8.3
217.09186	7.6
222.07625	3.5
222.14984	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	223.096
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
51.02359	0.2
53.03948	0.3
55.01868	0.6
55.05516	0.2
57.03430	0.6
57.07053	0.2
63.66307	0.1
65.03918	0.2
67.05495	0.7
68.99776	0.2
69.03426	2.3
70.00370	1.0
71.04984	0.2
79.05483	1.4
81.03426	0.4
81.07051	0.5
83.01332	13.2
83.04984	0.3
85.02908	0.4
91.05466	5.5
91.06036	0.3
93.07037	3.6
95.04958	1.2
95.08595	0.5
103.05470	0.2
105.07014	2.5
106.07820	0.1
107.04948	0.7
107.08568	2.3
109.02867	0.3
109.06516	1.2
111.04436	0.2
113.06008	0.2
115.05428	1.1
116.06232	1.5
117.07008	1.8
119.04952	0.4
119.08567	0.6
121.06496	7.7
121.09274	0.2
121.10117	2.7
123.04453	0.3
123.08060	0.8
128.06241	0.2
129.06985	1.2
131.08553	6.4
133.06485	0.6
133.10149	0.2
134.07260	1.2
135.04419	0.2
135.08037	10.1
137.06056	0.3
141.06953	0.7
144.05663	1.1
145.06453	0.8
146.07253	0.3
147.04401	0.7
148.05179	0.3
149.02310	0.8
149.05986	1.6
149.09604	10.0
153.05476	0.4
159.08035	10.1
160.08531	0.2
161.05974	1.2
161.09566	0.2
162.06741	14.3
163.07526	14.6
164.07867	0.2
165.05449	0.2
167.06976	0.2
177.09090	26.2
178.09425	0.3
181.08586	0.4
187.07526	7.9
190.06247	1.1
205.08577	100.0
206.08961	1.6
218.25203	0.2
223.09618	37.1
223.16878	0.5
224.09964	0.5
225.04193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09993	0.3
56.96554	1.6
57.41703	0.3
62.09302	0.3
70.12646	1.8
70.79504	0.3
71.70119	0.3
77.66631	0.3
89.14346	0.3
92.96039	0.3
98.20734	0.4
98.97572	2.8
102.27606	0.3
102.94416	0.3
116.98602	2.4
118.00415	0.3
119.01907	3.1
120.95397	0.9
120.97900	0.3
124.99106	0.4
134.99637	1.0
137.02901	0.9
138.96356	3.5
143.00151	1.3
156.97461	75.9
157.97574	1.6
158.01230	0.8
161.01166	0.7
165.02441	0.3
165.23996	0.3
174.98517	100.0
175.98608	2.7
176.98949	1.0
179.99017	4.1
180.97420	1.2
188.02599	1.0
189.00020	0.4
189.50450	1.3
198.00136	3.0
198.50922	0.4
198.98511	27.5
199.00002	1.0
199.98642	0.7
207.51392	0.4
210.03023	0.6
212.45839	0.4
216.99568	70.2
217.99757	1.9
219.00323	0.4
219.51576	0.4
222.00127	1.2
223.03001	0.3
232.03293	0.5
240.01141	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
56.89088	0.1
57.03413	0.2
57.07058	0.2
67.05492	0.7
68.99796	0.2
69.03385	0.1
69.07043	0.4
71.04969	0.6
71.17591	0.2
71.17930	0.2
78.95294	0.1
79.05479	0.6
81.07043	3.1
83.04974	0.1
83.08598	0.1
85.06542	0.1
86.35954	0.1
91.05478	0.7
93.07028	1.6
95.04948	0.3
95.08600	1.3
99.08055	0.4
103.05461	0.1
105.07011	1.3
107.04957	0.1
107.08575	2.3
109.06487	0.3
109.10143	0.8
111.04384	0.1
111.08041	0.1
115.50490	0.1
117.06932	0.1
119.08566	1.8
120.70484	0.1
121.10127	0.5
123.04411	0.5
123.08047	0.2
123.11673	0.7
127.11163	0.3
129.07030	0.1
131.04919	0.2
133.06480	0.1
133.10101	1.1
135.08034	0.2
135.11673	4.2
137.02328	0.2
137.05937	0.4
139.03825	0.2
143.08495	0.1
147.08032	0.2
147.11673	1.1
149.02304	0.8
149.05960	0.2
149.13257	0.3
151.03819	0.2
151.11195	0.1
153.01813	0.5
159.11581	0.2
161.05914	0.3
161.09627	0.2
161.13246	0.6
163.03854	0.1
163.14783	0.4
165.01839	0.4
165.05420	0.3
165.09134	0.1
165.12683	0.2
175.07539	0.5
175.11230	0.1
175.14801	0.3
176.07753	0.1
177.09109	0.1
177.16212	0.1
178.02435	0.2
179.03401	0.7
179.07034	0.2
183.02863	0.1
189.05496	0.1
193.08582	0.2
203.06963	0.2
203.10614	0.2
203.17911	1.4
205.04938	12.2
206.05710	22.1
207.06044	1.3
221.08055	100.0
221.18964	1.5
221.21793	0.6
222.08397	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03921	1.2
55.05490	5.5
56.20802	1.3
57.07043	3.8
59.04988	1.8
63.71840	1.1
67.05492	16.4
67.18903	1.2
69.03416	1.1
69.07060	13.3
69.65299	8.5
69.65715	1.9
71.04987	5.9
71.08585	1.1
79.05489	9.2
81.07047	30.5
83.04948	3.0
83.08613	6.4
85.06533	2.0
91.05483	10.8
93.07029	21.2
95.04913	1.8
95.08590	54.0
97.06493	2.8
97.10143	2.6
98.21435	1.5
101.62849	1.1
105.06323	2.4
105.07013	41.0
107.08573	37.9
107.09111	0.9
109.06471	2.9
109.10142	43.2
111.08062	4.4
113.09607	1.2
116.98687	1.1
119.08561	71.3
121.06421	1.1
121.10116	25.2
123.08039	2.8
123.11678	14.2
125.09542	1.8
131.08551	1.6
133.10109	34.1
134.99648	1.5
135.11644	9.3
137.05969	1.4
137.09569	3.4
137.13199	2.1
145.10107	2.0
147.11664	54.8
149.13203	7.8
151.11157	5.0
159.11537	2.0
161.09587	2.1
161.13239	24.0
163.14812	14.8
165.05492	9.6
165.12720	4.0
175.07402	1.8
175.11200	1.4
175.14801	25.8
177.16368	4.3
203.17924	100.0
204.18234	3.4
221.08084	7.9
221.11684	6.4
221.15399	6.7
221.18976	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03931	1.7
55.01851	3.1
55.05502	12.0
57.03422	2.0
57.07069	7.1
57.57587	1.1
59.04979	3.4
62.68186	1.1
63.91338	1.0
65.03922	1.7
67.05493	20.8
69.03423	7.2
69.07062	13.8
71.04979	6.0
71.79472	2.0
73.06517	1.5
79.05479	21.3
80.04983	1.0
81.07043	55.0
83.04978	8.5
83.08610	7.6
83.27944	1.0
85.02872	1.6
85.06533	2.5
91.05465	19.5
93.07029	28.6
95.04956	12.2
95.08594	60.8
97.02869	2.3
97.06507	5.0
97.10162	5.3
99.08063	3.8
103.05405	1.6
105.07018	55.3
107.04922	4.3
107.08575	37.5
109.06504	35.6
109.10140	32.8
111.04432	1.2
111.08040	2.5
111.11689	1.4
115.05444	2.1
117.07008	7.0
119.04916	1.6
119.08565	54.4
120.08871	1.5
121.06519	9.2
121.10133	19.9
122.07265	1.4
123.08029	9.1
123.11685	17.9
124.03942	12.4
125.05997	2.1
125.09630	5.2
127.07520	3.6
128.06213	1.6
129.06972	5.4
130.07721	1.1
131.08546	11.3
133.06491	6.8
133.10110	33.4
135.08055	6.7
135.10667	1.1
135.11667	20.8
137.05949	3.6
137.09595	14.8
137.13260	2.8
139.11156	3.4
141.07030	1.1
142.07776	9.9
143.08516	4.6
144.09331	2.4
145.06465	4.9
145.10091	9.3
146.10905	2.8
147.04366	1.8
147.08025	4.6
147.11668	44.5
149.02324	2.4
149.13210	7.3
151.07579	2.0
151.11160	11.8
157.10118	16.4
159.07983	2.9
159.11658	5.9
161.05971	5.5
161.09607	13.2
161.13249	14.2
163.07529	2.4
163.11218	2.1
163.14821	13.5
165.05476	6.9
165.09058	1.8
165.12711	10.7
175.07466	2.6
175.11163	17.6
175.14748	7.2
177.05437	2.2
177.09067	3.0
177.12704	1.2
177.16370	9.2
178.06250	1.3
179.07054	2.3
185.09547	7.5
185.13147	1.2
193.08560	1.4
193.12213	2.7
193.15877	1.3
203.07042	4.1
203.10631	16.3
203.14272	2.4
203.17921	67.0
205.04907	2.3
206.05736	3.5
206.16304	1.6
221.04507	1.8
221.08112	22.7
221.11685	27.8
221.15358	9.3
221.18979	100.0
222.11278	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	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.68245	1.0
55.05509	5.5
57.07059	5.5
59.04973	3.8
65.03916	1.1
67.05486	8.4
69.07059	12.4
71.04983	12.2
71.08611	1.6
79.05482	9.1
81.07047	26.1
81.42963	1.1
83.08593	4.7
85.06533	3.7
90.76643	1.1
91.05463	6.9
93.07031	14.7
95.08003	2.3
95.08591	39.0
97.06466	1.1
97.10156	2.2
105.07018	33.2
107.08578	40.7
108.78323	1.1
109.06477	1.9
109.09407	1.7
109.10140	26.4
111.11711	3.4
113.09641	1.6
116.98672	1.9
119.08567	26.4
121.10124	17.4
123.08001	1.2
123.11691	8.1
125.09629	1.8
125.69801	1.1
133.10106	22.1
135.11687	8.4
137.05925	2.0
137.09604	1.6
137.13226	3.3
145.10110	1.4
147.11667	42.2
149.13237	3.2
151.11107	1.9
159.11607	1.8
161.11893	1.7
161.13240	26.5
163.14799	30.5
165.05472	12.0
165.12753	3.9
175.14795	8.2
177.16344	10.5
203.17935	100.0
204.18321	3.6
221.08080	2.6
221.11697	4.4
221.15352	3.6
221.18979	69.3
222.19272	2.3
229.95912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.82994	0.7
53.03934	0.9
55.05500	5.3
57.07059	2.2
58.67291	0.8
59.04982	1.4
63.68293	0.8
67.05497	8.5
69.07059	10.5
69.85656	4.7
69.86053	1.3
71.04966	2.6
71.08617	0.9
79.05481	6.2
81.03418	1.6
81.07046	26.6
83.01322	0.8
83.04972	1.5
83.08609	3.0
85.06522	2.8
91.05470	8.1
93.07036	14.0
94.94706	0.9
95.04955	1.5
95.08595	31.4
96.79682	0.8
97.06515	2.3
97.10166	1.8
99.08038	1.0
104.38203	0.8
105.06332	1.5
105.07021	22.6
107.08578	24.6
109.02869	2.4
109.06501	7.0
109.10148	24.3
109.95328	0.8
111.08085	3.3
111.11710	1.1
119.08566	29.2
121.10137	13.2
123.08024	1.5
123.11712	8.4
125.09599	1.1
127.03900	2.0
131.08511	0.9
133.09164	1.6
133.10109	17.6
135.11690	4.3
137.02312	1.2
137.05975	7.4
137.09608	2.3
137.13272	1.8
141.01801	1.0
147.11676	27.2
149.13231	3.8
151.03850	0.8
151.11177	1.6
161.13232	13.3
163.14812	7.4
165.05463	100.0
165.12749	3.3
166.05818	3.0
175.14795	8.1
177.16354	1.8
179.03377	3.7
197.04510	2.3
203.17937	62.4
203.46382	0.8
204.18260	1.8
221.08151	20.5
221.11722	32.9
221.18982	29.6
221.21175	0.9
222.08463	1.2
222.12048	2.1
222.19377	1.1
236.33957	0.7
236.88420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.1
54.17925	0.9
55.05499	7.2
57.03426	1.0
57.07054	3.0
67.05492	9.8
69.07064	10.6
70.47179	2.9
71.04984	13.3
79.05484	16.1
81.07046	70.4
82.07370	1.2
82.65129	1.1
83.04945	1.7
83.08604	4.4
85.06521	1.3
85.08259	0.9
86.70676	0.9
91.05471	10.4
93.07034	30.0
95.04944	2.0
95.08591	22.6
96.08940	1.1
96.30453	1.1
97.06506	2.3
99.08075	4.3
105.07014	25.4
107.08581	54.6
108.08917	1.1
109.06488	2.2
109.09394	1.4
109.10131	20.1
111.08068	2.2
113.09595	1.4
117.06943	1.6
119.08572	39.9
119.86932	0.9
121.10117	9.7
123.08061	3.0
123.11694	15.6
125.09620	2.2
127.11178	5.7
133.09186	1.2
133.10121	21.5
135.11676	100.0
136.11963	2.2
137.09575	3.1
137.13235	2.4
145.10100	2.1
147.08127	2.0
147.11668	21.2
149.13254	6.6
151.11142	1.7
152.80353	1.0
159.11612	1.3
161.05971	2.7
161.13222	10.9
163.14861	4.5
165.05478	5.5
165.12776	2.7
175.07477	2.7
175.11136	1.5
175.14825	2.8
176.14380	1.3
177.09077	3.9
177.16336	1.9
179.03378	6.3
185.13087	1.1
191.06915	0.9
193.08562	1.2
203.07027	1.7
203.14275	1.3
203.17935	37.7
204.13867	1.2
221.04407	1.9
221.08052	7.8
221.11652	4.4
221.15598	5.6
221.18994	30.7
235.43231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.63144	1.8
54.86803	1.5
55.05508	9.9
57.03420	5.2
57.07060	6.3
58.53957	1.7
67.05503	20.3
69.07056	23.3
71.04974	6.2
79.05476	13.9
81.07050	50.0
83.04968	3.7
83.08601	7.4
85.06532	6.4
85.86626	1.8
91.05003	2.4
91.05476	20.8
93.07030	33.2
95.08596	70.5
96.57730	1.7
97.06517	7.6
97.10174	3.5
98.19476	2.5
98.20638	2.6
105.07018	58.0
107.08588	40.2
109.06507	5.7
109.10141	45.9
111.08102	5.1
117.07035	2.1
119.08568	51.7
121.10136	28.1
123.08101	2.5
123.11693	19.2
125.09618	2.1
127.11148	2.9
131.08525	2.5
133.10115	51.7
135.11670	11.7
137.09563	5.6
137.13261	4.1
147.11664	61.0
149.13252	14.8
151.11157	6.3
159.11694	3.6
160.12560	2.3
161.13268	24.3
163.14798	25.8
165.05431	19.8
165.12769	5.0
175.14832	13.3
177.16338	18.5
190.28423	2.0
203.07042	2.4
203.10629	2.4
203.17940	100.0
204.18272	2.6
209.13000	2.0
221.08089	13.6
221.11687	14.6
221.15428	4.2
221.18996	99.8
229.52026	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	1.6
55.05497	11.3
57.03404	1.3
57.07053	4.5
57.28051	1.0
59.04983	1.4
59.52662	1.0
64.18604	1.0
67.05184	1.6
67.05492	19.1
67.60721	1.2
69.07059	19.3
71.04964	3.5
71.05530	1.9
71.45025	1.1
79.05484	13.4
81.07042	100.0
83.08604	7.6
85.02850	1.4
91.05466	10.8
93.06496	1.8
93.07030	23.5
95.04961	2.4
95.08590	96.4
96.08961	1.3
97.06524	5.5
97.10142	4.0
99.08088	1.4
105.06327	2.1
105.07014	36.3
107.08575	42.5
107.09322	2.3
109.06473	4.8
109.09410	2.1
109.10141	39.1
111.08031	2.2
111.11684	1.8
113.09624	1.5
117.07010	2.2
119.08557	44.6
121.10130	19.7
123.08018	4.0
123.11694	20.9
131.08524	2.2
133.10114	30.2
135.11670	14.3
137.09535	2.1
137.13193	4.0
145.10117	3.4
147.08005	1.6
147.11659	42.4
149.13173	2.5
151.07541	6.9
151.11159	1.7
159.11658	2.3
161.13223	22.7
163.11160	1.5
163.14819	6.0
164.44083	1.1
165.05469	9.7
165.09082	1.8
165.12755	6.0
175.14781	4.9
177.16312	2.0
179.14250	2.0
203.14310	2.0
203.17923	43.5
204.18097	1.4
221.08083	3.1
221.11652	3.9
221.13257	1.6
221.15379	37.0
221.18939	39.8
221.21149	2.0
222.15596	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.27713	0.7
55.05499	6.5
55.10538	0.7
57.07058	1.4
67.05186	0.6
67.05492	5.0
69.07062	4.0
70.19524	3.9
71.04984	1.6
73.06541	4.6
76.01847	0.7
79.05486	3.7
81.07046	8.5
83.08595	1.7
85.06537	1.0
91.05470	6.4
93.07030	11.6
95.04967	1.3
95.08592	10.1
98.20737	0.8
105.07013	31.2
106.52026	0.7
107.08580	11.8
109.06472	0.7
109.10142	9.7
113.54543	0.6
119.08559	19.9
121.10107	8.4
123.08106	0.8
123.11698	3.4
125.77897	0.8
131.08528	1.3
133.10109	7.4
135.11655	2.7
137.09541	1.2
145.10129	1.7
147.11664	100.0
148.12015	2.9
149.13234	26.8
150.13625	1.1
151.11206	1.3
161.13234	5.5
163.14839	2.7
165.05469	3.6
165.12761	1.7
175.11243	0.8
175.14806	1.7
177.16389	0.7
180.24759	0.6
203.14406	0.6
203.17935	19.8
204.18372	0.9
221.08055	1.3
221.11710	1.7
221.15503	1.4
221.18977	13.2
232.46056	0.7
236.37788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	0.5
55.01852	0.4
55.05502	4.7
57.07061	2.7
59.04977	1.2
65.03914	0.4
67.05496	9.9
69.03410	1.0
69.07058	9.1
69.90836	1.5
69.91251	1.3
71.04979	13.5
79.05482	7.8
81.07042	23.4
83.04950	0.8
83.08607	3.6
85.06520	2.2
91.05461	7.4
93.06426	1.0
93.07027	14.7
95.04953	1.2
95.08589	43.1
96.08926	0.8
97.06527	1.0
97.10126	1.6
98.97568	0.5
99.08015	0.5
103.05431	0.4
103.50009	0.5
105.07015	22.2
107.04937	0.7
107.08576	42.4
109.06487	1.4
109.10140	22.8
110.10431	0.5
111.08085	0.7
111.11720	0.5
112.14706	0.4
112.29171	0.4
113.09644	0.6
115.05407	0.4
119.08566	18.7
120.08900	0.9
121.06506	0.8
121.09247	0.9
121.10130	17.7
122.10397	0.5
123.08057	1.1
123.11689	5.1
125.09628	2.1
129.07037	0.5
131.08522	0.8
133.10109	17.7
134.12392	0.4
134.99646	0.5
135.08040	0.5
135.11650	5.9
137.09608	1.4
137.13231	2.7
139.11104	0.5
145.10095	1.4
147.08011	0.8
147.11661	36.5
147.26892	0.5
148.12007	0.7
149.02405	0.4
149.05879	0.6
149.13237	2.3
151.07506	0.5
151.11180	1.2
151.14738	1.1
153.12743	0.5
159.11591	1.0
160.12408	0.5
161.05899	0.6
161.13246	12.4
163.11172	0.5
163.14795	17.5
164.15059	0.5
165.05460	3.0
165.12732	3.7
175.07533	2.6
175.14799	6.3
177.16356	6.8
179.06940	0.5
179.14308	0.7
192.90630	0.5
201.16254	0.6
203.17926	100.0
204.18280	4.1
205.04909	1.5
206.05708	3.5
221.04744	0.6
221.08060	21.5
221.11317	2.5
221.15370	2.3
221.18968	37.6
222.08386	0.9
222.19287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03927	5.6
55.01851	5.0
55.05494	13.3
57.03416	4.0
57.07054	4.9
59.04970	4.1
65.03908	2.7
66.06432	1.6
67.05497	15.0
68.62476	1.5
69.03416	10.9
69.07060	8.1
71.04971	9.7
71.17585	4.3
72.08102	1.5
79.05476	24.9
81.07040	59.2
83.04971	19.1
83.08610	2.5
85.02873	6.3
85.06500	5.2
87.04437	2.8
90.49161	1.5
91.05457	45.3
93.07025	44.1
93.07944	1.5
93.60715	1.4
95.04967	16.3
95.08588	17.6
95.90749	1.4
97.02853	4.0
97.06521	11.4
98.97547	3.5
99.04449	4.5
99.08057	6.6
101.06017	10.9
103.05461	3.6
105.04478	2.5
105.07011	85.6
107.04919	7.4
107.08583	25.3
109.02851	3.1
109.06498	100.0
109.10152	12.1
111.04426	2.7
111.08068	2.6
115.05436	9.6
117.07005	24.6
119.04907	5.1
119.07748	3.4
119.08562	54.1
121.06481	24.5
121.10112	9.1
123.04414	2.2
123.08035	4.5
123.11650	3.0
125.05910	2.8
127.07535	11.7
128.06195	6.6
129.06981	21.0
130.07732	4.8
131.04895	2.8
131.08548	44.8
133.06494	12.9
133.09178	3.0
133.10110	38.8
135.08040	15.4
135.11679	4.4
137.05952	10.9
137.09573	4.9
141.06976	4.6
142.07762	40.2
143.08516	14.1
144.09302	7.3
145.06491	12.4
145.10101	42.8
146.07205	4.5
146.10912	15.1
147.04359	2.3
147.07988	8.4
147.11664	54.7
149.02307	1.9
149.05968	2.6
151.07492	2.5
151.11153	2.5
157.10106	64.1
159.08000	4.6
159.11676	19.3
160.05168	2.1
160.08769	3.8
161.05956	37.6
161.09608	24.4
161.13243	6.0
163.07509	11.2
165.05470	8.4
165.06618	1.7
165.09045	2.8
165.12688	2.0
170.07248	2.1
173.09506	1.7
175.07523	9.4
175.11153	57.4
175.14743	5.3
177.05484	2.0
177.09071	6.2
177.12682	5.1
179.06966	1.7
179.10625	4.3
185.09593	31.2
187.60506	2.0
193.12140	7.9
193.15822	2.3
203.06934	4.7
203.10637	78.8
203.14278	2.6
203.17902	7.4
206.05733	2.1
221.04399	3.7
221.08211	16.5
221.11676	84.8
221.15034	16.0
221.17409	2.0
221.18735	5.6
222.11884	1.9
222.53629	1.5
231.08936	2.8
231.65201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.6
55.01851	5.0
55.05494	13.3
57.03416	4.0
57.07054	4.9
59.04970	4.1
65.03908	2.7
66.06432	1.6
67.05497	15.0
68.62476	1.5
69.03416	10.9
69.07060	8.1
71.04971	9.7
71.17585	4.3
72.08102	1.5
79.05476	24.9
81.07040	59.2
83.04971	19.1
83.08610	2.5
85.02873	6.3
85.06500	5.2
87.04437	2.8
90.49161	1.5
91.05457	45.3
93.07025	44.1
93.07944	1.5
93.60715	1.4
95.04967	16.3
95.08588	17.6
95.90749	1.4
97.02853	4.0
97.06521	11.4
98.97547	3.5
99.04449	4.5
99.08057	6.6
101.06017	10.9
103.05461	3.6
105.04478	2.5
105.07011	85.6
107.04919	7.4
107.08583	25.3
109.02851	3.1
109.06498	100.0
109.10152	12.1
111.04426	2.7
111.08068	2.6
115.05436	9.6
117.07005	24.6
119.04907	5.1
119.07748	3.4
119.08562	54.1
121.06481	24.5
121.10112	9.1
123.04414	2.2
123.08035	4.5
123.11650	3.0
125.05910	2.8
127.07535	11.7
128.06195	6.6
129.06981	21.0
130.07732	4.8
131.04895	2.8
131.08548	44.8
133.06494	12.9
133.09178	3.0
133.10110	38.8
135.08040	15.4
135.11679	4.4
137.05952	10.9
137.09573	4.9
141.06976	4.6
142.07762	40.2
143.08516	14.1
144.09302	7.3
145.06491	12.4
145.10101	42.8
146.07205	4.5
146.10912	15.1
147.04359	2.3
147.07988	8.4
147.11664	54.7
149.02307	1.9
149.05968	2.6
151.07492	2.5
151.11153	2.5
157.10106	64.1
159.08000	4.6
159.11676	19.3
160.05168	2.1
160.08769	3.8
161.05956	37.6
161.09608	24.4
161.13243	6.0
163.07509	11.2
165.05470	8.4
165.06618	1.7
165.09045	2.8
165.12688	2.0
170.07248	2.1
173.09506	1.7
175.07523	9.4
175.11153	57.4
175.14743	5.3
177.05484	2.0
177.09071	6.2
177.12682	5.1
179.06966	1.7
179.10625	4.3
185.09593	31.2
187.60506	2.0
193.12140	7.9
193.15822	2.3
203.06934	4.7
203.10637	78.8
203.14278	2.6
203.17902	7.4
206.05733	2.1
221.04399	3.7
221.08211	16.5
221.11676	84.8
221.15034	16.0
221.17409	2.0
221.18735	5.6
222.11884	1.9
222.53629	1.5
231.08936	2.8
231.65201	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Flossonol
Peak:m/z	Relative Intensity
51.78712	1.7
51.98035	1.5
53.03939	3.6
55.01854	4.6
55.05507	13.8
56.73868	1.6
57.03425	2.6
57.07058	5.1
59.04982	5.0
65.03922	2.0
67.05485	16.4
68.13899	1.4
69.03417	14.0
69.07043	7.4
69.71370	3.3
69.71776	13.0
71.04974	5.9
79.05474	23.7
80.34811	1.3
81.03397	3.4
81.07046	32.6
83.04975	18.9
83.08597	2.3
85.02876	5.7
85.06504	3.2
85.55193	1.5
87.04434	2.2
91.05466	43.5
93.07039	40.1
95.04961	21.4
95.08594	13.8
97.02893	3.7
97.06528	11.1
99.04439	6.1
101.06005	12.6
103.05447	4.0
105.07018	94.0
106.07312	1.6
107.04959	9.9
107.08591	26.2
109.02870	3.1
109.06506	64.8
109.10139	8.0
111.04414	4.5
111.08091	3.8
114.70275	1.5
115.05444	8.7
117.07010	24.9
119.04943	5.7
119.08564	53.4
121.06491	26.9
121.10122	6.0
123.04393	5.1
123.08025	8.3
123.11697	3.5
125.05963	3.5
127.03957	1.6
127.07533	2.0
128.06210	5.9
129.06989	21.5
130.07745	6.2
131.04961	1.8
131.08549	46.0
133.06480	15.7
133.10117	35.4
135.08034	14.9
137.02263	3.2
137.05971	14.7
137.09573	3.8
139.07529	3.6
141.06966	3.9
142.07764	40.8
143.08557	15.1
144.09319	6.1
145.06450	10.5
145.10106	40.0
146.07195	3.9
146.10881	13.8
147.08037	10.2
147.11668	51.4
149.05966	3.3
149.13223	1.9
151.07523	3.6
153.09029	2.6
157.10110	72.6
158.13968	1.5
159.08102	4.6
159.11690	23.1
160.08823	3.5
161.05966	12.0
161.09613	29.4
161.13246	4.3
163.07538	8.0
163.11087	2.5
165.05435	8.3
165.09065	2.5
167.08546	2.8
170.07303	3.6
173.09593	2.0
175.07512	10.6
175.11172	65.0
175.14728	3.0
177.05478	7.4
177.09108	10.2
179.03421	5.1
179.10637	4.5
180.91743	1.6
185.09608	30.7
185.13158	3.7
191.07213	1.7
193.12238	7.0
193.15742	2.9
200.78575	1.9
203.07028	4.8
203.10651	74.2
203.14421	2.3
203.17906	2.5
205.04988	2.0
216.21201	1.8
221.04428	5.3
221.08382	15.3
221.11713	100.0
221.15321	9.0
221.18753	3.9
222.11836	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01872	0.4
55.05500	0.8
57.03444	0.4
57.07059	0.7
67.05485	1.6
68.99796	0.4
69.03414	1.1
69.07047	1.3
69.11599	0.4
69.60377	0.7
69.60786	2.6
71.04980	0.7
76.71063	0.3
79.05488	2.0
81.03397	0.4
81.07038	4.3
83.04984	1.8
85.06541	0.3
91.05450	3.3
93.07035	3.5
95.04970	2.3
95.08584	2.2
97.06492	0.7
99.04447	0.5
99.07991	0.4
101.05981	0.3
103.05479	0.3
105.03369	0.3
105.07015	6.3
107.04935	0.9
107.08591	2.5
109.06503	6.2
109.10129	1.0
109.52739	0.3
111.08102	0.5
115.05432	1.3
116.06219	0.5
117.07006	4.5
119.04943	1.0
119.08571	3.7
121.06468	1.6
121.10130	1.3
123.04475	0.5
123.08047	1.4
123.11663	0.4
125.05997	0.4
127.07513	0.6
128.06201	1.1
129.06999	1.3
131.04926	0.5
131.08542	2.0
133.06483	1.1
133.10101	2.6
134.07246	0.9
135.08032	1.8
135.11638	0.7
137.05968	0.9
137.09644	0.4
142.07790	1.5
143.08554	1.4
144.05675	0.5
145.06454	1.6
145.10095	2.7
146.63420	0.3
147.04385	0.4
147.08034	1.1
147.11662	3.9
149.05960	0.6
151.03894	0.5
157.10123	3.2
159.08081	0.4
159.11678	1.0
160.05156	0.5
161.05963	1.5
161.09602	2.9
161.13202	1.0
162.06749	4.5
163.07478	0.8
163.11118	0.6
165.05429	1.6
165.09088	0.6
171.08037	0.7
175.03932	0.4
175.07571	2.6
175.11163	3.7
175.14813	0.7
177.09084	100.0
178.09439	0.9
179.03368	0.9
185.09578	1.3
191.10638	0.6
193.04913	0.4
203.06973	0.7
203.10652	4.0
203.14301	0.7
203.17953	1.1
205.04938	4.4
206.05719	8.6
221.04456	1.4
221.08061	48.5
221.11386	6.8
221.15181	2.3
221.17305	1.9
221.19090	0.7
222.08380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Precocene II
Peak:m/z	Relative Intensity
50.99261	0.1
53.03930	0.4
53.53437	0.1
55.01851	0.6
65.03936	0.3
68.84354	0.1
69.07040	0.1
69.68998	0.1
70.24545	0.2
70.24950	0.4
74.70651	0.1
79.05482	0.8
81.03405	1.0
81.07047	1.1
82.67399	0.1
83.01305	0.6
91.05467	1.2
95.04953	0.3
109.02874	2.4
109.06501	5.2
115.76750	0.1
119.04927	0.8
127.03901	2.0
137.05960	6.9
147.04381	0.3
153.05464	1.0
165.05452	100.0
166.05792	0.9
179.07011	0.3
183.06610	0.3
221.11707	35.4
222.12077	0.6
232.50726	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03935	0.4
55.01865	0.6
60.67719	0.2
64.79366	0.1
65.03928	0.3
65.05859	0.1
69.03422	0.2
71.81865	0.2
72.12225	0.1
79.05487	0.8
81.03400	1.1
81.07028	1.3
83.01329	0.5
91.05457	1.1
95.04942	0.3
99.51743	0.1
103.54394	0.1
103.90823	0.1
109.02859	2.8
109.06501	5.5
112.70107	0.1
119.04927	0.7
127.03893	2.0
137.05951	7.7
147.04370	0.4
153.05472	1.0
153.42317	0.1
165.05446	100.0
166.05811	1.0
177.15558	0.2
179.07109	0.1
183.06564	0.3
221.11693	30.7
222.12062	0.5
239.70306	0.1
239.75604	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1168
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03937	0.4
55.01867	0.6
65.03922	0.2
69.03423	0.1
69.50354	1.2
79.05483	0.7
81.03409	1.0
81.07043	0.9
83.01329	0.5
91.05463	1.2
95.04987	0.3
109.02867	2.3
109.06503	4.4
118.35931	0.1
119.04913	0.5
127.03895	2.1
137.05957	7.1
142.24551	0.1
147.04355	0.3
153.05464	0.9
165.05455	100.0
166.05775	1.0
179.07004	0.3
183.06516	0.2
206.07986	0.2
221.11708	33.5
222.12083	0.4
228.63528	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03936	0.5
54.12108	0.2
55.01851	0.8
59.30263	0.2
65.03913	0.3
67.05489	0.3
69.03420	0.3
69.07047	0.5
79.05482	1.1
80.61584	0.2
81.03402	1.1
81.07040	1.7
83.01316	0.5
83.04994	0.2
91.05473	2.0
93.07007	0.5
95.04960	0.4
95.08588	0.6
103.42630	0.2
105.07020	0.5
107.08572	0.5
109.02870	1.4
109.05769	0.3
109.06509	4.9
109.10129	0.4
117.07049	0.2
119.04906	0.7
119.08572	0.5
121.06493	0.7
121.10107	0.4
127.03896	3.1
133.06511	0.3
133.10104	0.5
135.08043	0.6
135.11642	0.2
137.05959	7.0
147.04382	0.4
147.08049	0.3
147.11650	0.5
151.07515	0.3
153.05449	1.1
161.05952	0.4
161.09666	0.2
161.67064	0.2
162.02898	0.2
163.07538	0.5
165.05455	100.0
166.05840	1.0
168.14850	0.2
175.07501	0.6
175.14859	0.3
179.06995	0.5
179.10574	0.2
183.06470	0.6
203.07059	1.4
203.10684	0.4
203.17966	0.4
206.08228	0.4
221.08098	1.6
221.11703	35.9
221.18835	0.4
222.12077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96543	2.6
57.07048	0.7
64.84272	0.6
69.48586	7.2
75.79967	0.6
82.02913	1.7
85.02880	0.6
94.06545	4.6
97.02860	0.9
98.21388	1.7
98.97552	2.6
114.55761	0.6
115.05393	0.7
116.98623	1.0
119.67128	0.7
120.08120	1.0
130.06503	82.9
131.06862	1.5
132.04428	43.1
134.99609	0.7
138.04526	0.6
148.07576	3.3
157.07590	61.1
158.05983	82.2
159.06313	1.3
159.09079	1.1
175.08640	100.0
176.07016	1.5
185.07187	1.6
186.05498	2.0
199.19440	0.6
202.70425	0.6
203.08115	39.5
204.06535	4.8
204.08272	0.9
221.09184	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	221.1168
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03931	0.5
55.01856	0.9
57.07075	0.2
65.03951	0.2
67.05490	0.4
69.07056	0.2
69.62041	1.1
79.05474	0.8
81.03413	1.0
81.07050	1.7
83.01328	0.6
83.08590	0.2
85.02929	0.2
91.05479	1.3
93.07026	0.3
95.04948	0.4
95.08585	0.7
104.91460	0.1
105.06997	0.4
107.08575	0.3
109.02866	1.9
109.06502	5.1
109.10157	0.3
115.75985	0.1
119.04903	0.5
119.08575	0.4
119.81901	0.1
121.06401	0.2
121.10114	0.3
123.11652	0.4
127.03901	2.2
133.10112	0.3
137.05957	7.3
147.04387	0.3
147.11627	0.5
152.04179	0.1
153.05464	1.1
161.05940	0.2
161.13284	0.1
163.14760	0.2
165.05450	100.0
166.05786	0.9
175.14815	0.2
177.16324	0.3
179.03358	0.2
179.07063	0.3
180.03732	0.3
183.06540	0.5
198.04688	0.4
203.07047	0.2
203.17949	0.5
213.23344	0.1
220.54684	0.1
221.11697	33.3
221.18916	0.9
222.12041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	Siderin
Peak:m/z	Relative Intensity
53.03915	0.3
55.05493	0.8
57.07057	0.6
67.01858	0.3
67.05508	1.2
69.07057	0.9
79.05459	0.7
81.07050	2.7
81.38869	0.2
83.04976	0.2
83.08597	0.3
85.06569	0.2
91.05468	1.1
93.07034	1.5
95.04929	0.7
95.08586	2.8
97.06518	0.4
97.10120	0.2
105.07016	2.9
107.08579	2.7
109.06475	0.6
109.10120	1.7
111.08061	0.2
115.05503	0.2
119.08564	1.9
121.06514	0.3
121.10122	1.6
123.04415	0.3
123.08024	0.4
123.11673	0.9
133.10103	1.4
134.99690	0.2
135.11670	1.0
137.05952	0.4
137.09605	0.3
145.10187	0.2
147.08009	0.4
147.10570	0.3
147.11670	3.4
149.13228	0.8
151.03958	0.2
151.11168	0.2
153.01846	0.5
159.11710	0.2
161.05890	0.2
161.13281	1.0
163.14807	1.4
165.01897	0.4
165.05443	2.2
165.12709	0.6
175.07535	0.3
175.11174	0.3
175.14777	0.6
177.05508	0.2
177.16383	0.4
178.02617	0.4
179.03391	0.6
179.10553	0.2
185.13148	0.3
203.07014	0.3
203.10666	0.3
203.14223	0.2
203.17935	4.3
205.03413	0.1
205.04932	11.0
206.05716	19.7
206.16277	0.2
207.06035	0.4
210.62688	0.2
221.08054	100.0
221.18971	3.5
222.08371	1.8
240.74603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.1
55.05501	0.4
57.07055	0.2
67.05502	0.7
68.99783	0.2
69.07039	0.4
70.13791	0.5
71.04981	0.6
71.38342	0.1
72.15717	0.1
72.76287	0.1
75.47318	0.1
79.05478	0.7
81.07046	2.8
83.08579	0.1
91.05459	0.5
93.07033	1.6
95.04939	0.3
95.08591	0.9
97.10161	0.1
99.08086	0.2
100.70512	0.1
103.05423	0.1
105.07011	1.1
107.08570	2.1
109.06481	0.3
109.10139	0.9
111.08056	0.2
117.07018	0.1
119.08568	1.6
121.02645	0.1
121.10106	0.4
123.04391	0.5
123.08002	0.1
123.11666	0.5
127.11152	0.3
129.06981	0.2
131.04912	0.2
131.08539	0.1
132.48953	0.1
133.06468	0.2
133.10107	1.0
135.11671	3.4
137.02324	0.1
137.05945	0.4
137.13315	0.1
139.03889	0.2
143.08513	0.1
146.63350	0.1
147.08064	0.1
147.11623	0.9
149.02284	0.5
149.05887	0.2
149.13202	0.3
151.03874	0.2
151.07523	0.2
151.11150	0.2
153.01802	0.4
159.11449	0.1
161.05916	0.3
161.09583	0.1
161.13268	0.5
163.03876	0.1
163.14769	0.1
165.01799	0.4
165.05426	0.3
165.09143	0.1
175.07564	0.5
175.14789	0.1
177.16249	0.1
178.02475	0.2
178.06235	0.1
179.03398	0.7
179.06926	0.1
183.02754	0.1
193.08499	0.1
203.06941	0.3
203.10591	0.2
203.17912	1.2
203.20906	0.1
205.04936	12.0
206.05714	20.9
207.06001	0.2
210.96712	0.1
219.81850	0.1
221.08054	100.0
221.19000	1.1
221.21872	1.2
222.08386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0803
Annotation	6,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
53.03925	0.1
55.05501	0.4
57.07055	0.2
67.05502	0.7
68.99783	0.2
69.07039	0.4
70.13791	0.5
71.04981	0.6
71.38342	0.1
72.15717	0.1
72.76287	0.1
75.47318	0.1
79.05478	0.7
81.07046	2.8
83.08579	0.1
91.05459	0.5
93.07033	1.6
95.04939	0.3
95.08591	0.9
97.10161	0.1
99.08086	0.2
100.70512	0.1
103.05423	0.1
105.07011	1.1
107.08570	2.1
109.06481	0.3
109.10139	0.9
111.08056	0.2
117.07018	0.1
119.08568	1.6
121.02645	0.1
121.10106	0.4
123.04391	0.5
123.08002	0.1
123.11666	0.5
127.11152	0.3
129.06981	0.2
131.04912	0.2
131.08539	0.1
132.48953	0.1
133.06468	0.2
133.10107	1.0
135.11671	3.4
137.02324	0.1
137.05945	0.4
137.13315	0.1
139.03889	0.2
143.08513	0.1
146.63350	0.1
147.08064	0.1
147.11623	0.9
149.02284	0.5
149.05887	0.2
149.13202	0.3
151.03874	0.2
151.07523	0.2
151.11150	0.2
153.01802	0.4
159.11449	0.1
161.05916	0.3
161.09583	0.1
161.13268	0.5
163.03876	0.1
163.14769	0.1
165.01799	0.4
165.05426	0.3
165.09143	0.1
175.07564	0.5
175.14789	0.1
177.16249	0.1
178.02475	0.2
178.06235	0.1
179.03398	0.7
179.06926	0.1
183.02754	0.1
193.08499	0.1
203.06941	0.3
203.10591	0.2
203.17912	1.2
203.20906	0.1
205.04936	12.0
206.05714	20.9
207.06001	0.2
210.96712	0.1
219.81850	0.1
221.08054	100.0
221.19000	1.1
221.21872	1.2
222.08386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1692
Annotation	Fabianine
Peak:m/z	Relative Intensity
64.38554	0.2
71.10747	0.5
71.11081	0.3
91.05479	0.3
93.06988	0.4
95.04963	0.3
96.84621	0.2
105.03397	0.3
105.06992	0.3
107.08542	0.3
118.06526	6.0
120.08100	0.3
121.06508	0.2
132.08063	1.8
133.08824	0.8
133.10056	0.3
134.09647	0.5
146.09598	2.3
152.04291	0.3
162.09120	4.3
163.11212	0.3
176.10730	3.2
176.14326	22.8
177.09100	0.4
177.11400	1.1
177.12814	0.3
177.14592	0.4
190.12238	2.5
191.13042	0.3
202.15926	0.9
203.17795	0.2
204.14532	0.3
205.04865	0.3
205.15808	1.6
206.05678	0.3
220.16931	100.0
221.04367	0.3
221.08037	3.1
221.15396	0.3
221.17302	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
54.79873	0.7
55.01858	1.0
57.07069	5.8
59.04991	3.9
67.05498	5.3
69.07058	5.0
70.02939	4.3
70.95671	1.0
70.96028	2.0
72.04507	14.4
73.02901	3.2
73.76625	0.7
74.02438	1.2
78.29859	0.6
81.07030	0.7
83.04960	0.8
85.06535	9.5
86.09686	1.7
87.08099	2.7
90.05544	100.0
92.08593	0.6
95.04960	6.1
96.08120	2.7
98.02402	14.1
98.06052	1.4
98.93703	0.6
100.03982	2.2
103.07574	8.1
113.06012	2.9
116.03436	12.1
124.07582	14.9
131.07011	1.3
132.10141	0.8
133.35719	0.6
140.10666	0.8
142.08621	8.3
156.10199	1.6
158.11740	3.0
160.09666	2.3
166.08658	2.0
172.47635	0.6
174.11279	1.9
184.09680	20.0
202.10722	28.1
205.15854	0.8
211.27376	0.6
219.47633	0.6
220.11783	39.7
220.17853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89911	0.4
55.01853	0.8
55.05489	0.7
56.01365	0.4
57.07062	6.2
59.04985	4.3
65.03934	0.5
66.49577	0.5
67.05491	4.8
69.07054	5.3
69.48335	3.0
69.48761	1.6
70.02942	5.0
72.04502	13.8
73.02913	3.0
74.02428	1.2
81.07069	0.5
83.04970	1.4
85.06040	0.7
85.06530	9.5
86.09703	2.0
87.08087	1.4
90.05539	100.0
95.04955	5.8
96.08112	1.9
98.02398	14.4
98.42976	0.5
100.03965	2.4
103.07558	7.6
113.05991	2.9
113.22142	0.5
116.03433	15.4
118.61427	0.4
124.07572	16.5
132.04425	0.8
142.08618	7.4
144.21004	0.4
156.10146	1.1
158.05928	0.6
158.11723	1.1
160.09665	1.9
166.08611	2.8
174.11214	2.6
175.08647	0.8
184.09660	19.6
202.10703	30.0
204.14618	1.0
205.15833	2.0
220.11765	43.9
220.17714	4.7
221.11938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03937	1.4
55.05510	5.3
55.83062	1.0
57.07056	2.1
59.04970	1.2
59.33548	0.9
60.94802	0.9
67.05488	6.0
69.03420	20.8
69.07060	11.5
69.63566	7.2
69.63976	1.4
71.04979	2.1
79.05485	5.4
81.07051	23.1
83.04958	1.9
83.08598	4.7
85.06530	2.8
91.05466	7.1
93.07030	21.7
95.04932	2.8
95.08585	10.8
97.06524	2.6
97.10119	0.9
98.16862	1.0
98.20728	2.0
105.07026	15.1
107.04941	1.1
107.07899	1.5
107.08578	14.9
109.06523	5.0
109.10136	12.2
111.08072	3.7
113.09630	0.9
117.06996	3.7
119.03443	0.9
119.08581	13.5
121.06481	12.9
121.10128	11.7
123.08072	4.3
123.11696	11.7
125.09560	1.2
130.07831	1.1
131.08551	6.8
133.10141	7.2
135.08035	14.8
135.11674	17.6
137.09593	1.9
137.13268	1.2
138.70685	0.8
145.10121	17.6
147.11678	5.4
149.09572	3.4
149.13283	2.0
157.10112	1.2
159.11673	14.9
161.09625	2.9
161.13237	10.3
161.22072	1.0
163.07501	1.0
163.11174	8.6
173.09674	1.1
173.13214	3.0
175.14778	4.9
176.11942	2.3
177.09032	1.1
177.12747	3.0
177.16411	1.7
189.16422	1.1
191.10674	1.7
191.17958	2.8
201.09062	1.5
201.16362	12.1
203.14322	6.3
219.06572	1.8
219.10129	11.1
219.17422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05490	7.9
57.03426	2.5
57.07048	4.8
59.04996	2.1
61.80360	1.6
67.05480	8.6
67.76360	1.4
68.85291	1.3
69.07056	17.3
69.71265	5.0
69.71687	6.9
71.04996	6.9
76.66299	1.3
79.05468	8.4
81.07043	22.3
83.04945	2.5
83.08591	6.3
85.06511	6.8
91.05476	16.5
93.07032	20.7
95.04929	3.6
95.08591	38.0
97.06514	8.8
97.10159	2.8
98.20811	2.2
105.07017	50.1
107.08574	38.6
109.06488	3.4
109.10143	25.7
111.08054	3.3
113.09541	1.8
117.06959	8.4
119.08561	58.6
119.09415	2.8
121.06500	2.0
121.10123	24.9
123.08054	3.2
123.11683	5.3
125.09621	3.5
127.11170	6.3
129.07002	2.2
130.07713	1.8
131.08534	14.4
133.10107	25.1
135.07974	4.7
135.11668	11.4
137.09563	2.9
144.09312	3.4
145.10107	39.8
147.11691	10.9
149.09636	2.2
149.13229	4.7
159.11668	50.7
159.80609	1.4
161.13239	78.0
163.11168	8.2
173.13235	9.1
175.14809	12.1
177.12801	1.8
177.16377	5.1
186.13950	1.8
187.72905	1.4
191.14255	14.4
191.17905	12.4
201.16356	46.4
203.14293	7.4
219.10052	4.2
219.17413	100.0
220.17627	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03927	1.0
55.05502	5.8
57.07060	3.0
67.05503	7.2
69.03413	3.6
69.07057	14.9
69.75593	7.4
69.76012	2.7
71.04990	1.6
71.08630	1.2
79.05476	5.3
81.07041	20.9
82.61257	1.0
83.04974	2.0
83.08590	3.2
85.06516	1.2
91.05476	10.0
93.07032	16.5
95.04955	6.7
95.08600	14.8
97.06528	4.3
105.07016	19.8
107.08585	21.1
109.06501	7.3
109.10152	12.7
111.08047	3.0
113.01384	0.9
115.05482	1.3
117.07008	5.7
119.08558	17.0
121.06493	19.3
121.10133	16.6
123.08065	4.4
123.11695	12.1
130.07753	2.2
131.08554	7.3
133.10120	15.4
135.08044	26.4
135.11668	11.1
137.09615	2.5
139.11163	1.6
143.08562	1.6
144.09300	1.6
145.10101	19.1
147.11678	5.1
149.09595	5.1
149.13254	3.0
152.39063	1.0
157.10072	1.6
159.11681	16.5
161.09619	2.1
161.13191	6.3
163.11168	10.5
173.13214	2.9
175.14816	23.8
176.11920	2.4
177.09157	1.4
177.12752	5.2
177.16359	2.8
191.17972	6.5
201.16371	20.4
203.14230	2.4
219.10150	9.9
219.17422	100.0
220.17670	2.4
233.95044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.01857	1.1
55.05503	6.0
57.03424	1.7
57.07058	2.0
57.24531	1.0
67.05495	8.9
69.03415	2.3
69.07061	26.4
70.33910	5.1
71.04987	6.6
79.05471	5.3
81.07049	17.8
83.01318	4.0
83.04976	1.7
83.08596	3.9
85.06503	2.9
91.05457	7.9
93.07035	16.0
95.04970	7.3
95.08595	23.3
97.06494	3.5
97.10151	1.6
98.18111	1.3
105.07022	25.0
107.04945	1.5
107.08580	21.2
109.06513	6.4
109.10145	22.0
111.08080	3.4
117.06981	4.0
119.07734	1.9
119.08568	24.7
121.06507	7.9
121.10126	19.3
123.08030	2.6
123.11710	7.3
125.09598	2.5
131.08551	8.4
133.10124	11.7
135.08061	10.6
135.11681	16.4
137.09605	9.9
137.13210	3.0
143.08537	1.8
145.10112	22.5
147.11655	6.7
149.09595	9.3
149.13271	5.9
151.11148	2.3
159.11682	15.1
161.13268	14.3
163.07454	2.1
163.11176	15.2
165.05438	1.2
173.09605	2.6
173.13222	5.1
175.14783	16.2
176.08345	1.8
176.11978	1.4
177.05473	3.2
177.09076	4.0
177.12746	10.0
177.16365	3.1
191.10641	3.1
191.17952	10.2
201.09087	2.4
201.16380	23.0
203.14247	1.3
204.07863	2.1
219.10133	28.2
219.17421	100.0
220.17807	2.7
228.31519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Dihydroeuparin
Peak:m/z	Relative Intensity
53.03930	0.4
55.01853	0.8
55.05511	0.7
57.03427	5.1
57.07067	0.3
63.00319	0.1
65.03918	0.3
67.05489	0.8
68.99774	0.2
69.03416	1.4
69.07059	0.3
71.04964	0.3
79.05479	2.2
81.03393	0.6
81.06609	0.2
81.07042	2.5
83.01326	10.6
83.04945	0.9
85.02882	0.8
91.05463	3.7
93.07031	2.6
95.04951	1.0
95.08598	0.9
97.06485	0.3
98.20676	0.3
103.05450	0.4
105.04521	0.2
105.07010	3.9
107.04945	0.7
107.08578	3.4
109.02824	0.4
109.06489	2.2
109.10137	0.5
111.04414	0.6
113.53072	0.1
115.05433	1.0
116.06208	0.6
116.15897	0.2
117.06998	2.4
119.04888	0.4
119.08569	1.6
121.06490	3.0
121.10144	1.8
123.04404	0.6
123.08064	0.7
127.03899	0.5
128.06157	0.5
129.06999	0.9
130.07759	2.1
131.04872	0.2
131.08539	2.5
133.06477	0.9
133.10139	0.7
134.07217	0.4
135.04459	0.7
135.08031	7.6
135.11636	1.3
137.05940	0.7
137.09569	0.5
139.03867	1.9
141.06970	0.5
142.07735	0.3
143.08496	0.7
144.05688	0.4
145.06502	0.9
145.08989	0.3
145.10100	5.1
147.04358	0.4
147.08032	0.6
147.11674	0.3
148.05151	0.3
148.08795	0.4
149.05949	3.6
149.09598	4.0
151.11255	0.1
153.06972	0.4
154.07719	0.2
155.08549	1.3
157.10051	0.2
158.07249	1.8
159.08061	1.4
159.11655	0.6
160.08783	0.3
161.05956	3.4
161.13223	0.4
162.06731	3.4
163.03860	0.4
163.07521	6.3
163.11143	3.8
165.05457	2.4
165.06824	0.2
173.05956	0.2
173.09596	5.1
175.07504	1.1
176.08293	4.1
177.05528	2.8
177.09076	19.0
178.09471	0.3
178.10884	0.2
181.04900	0.9
181.08449	0.2
183.07956	0.2
186.06787	0.5
189.05386	0.5
189.09009	0.1
190.06190	2.3
191.07022	0.9
191.10641	10.7
201.09067	7.0
201.16374	0.4
202.09634	0.2
203.07042	0.2
203.14297	1.3
204.07791	3.5
219.10129	100.0
219.17313	5.6
220.10420	2.0
223.37457	0.2
238.93126	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	219.1012
Annotation	Eupatoriochromene
Peak:m/z	Relative Intensity
51.02382	0.3
53.00315	0.2
53.03937	1.4
55.01847	0.7
57.03422	0.4
57.07065	5.3
65.03928	1.6
67.01856	0.5
67.05495	1.5
68.99776	0.3
69.03426	0.2
69.07059	0.7
71.04980	0.2
71.82057	0.2
77.03932	0.5
79.05480	10.6
81.03387	0.8
81.07044	0.7
83.01325	0.8
83.04958	0.2
89.03902	0.9
91.05461	1.8
92.27654	0.1
93.03383	0.6
93.07025	0.6
95.01324	0.5
95.04957	4.6
95.08617	0.1
99.00801	2.3
99.01418	0.2
103.05452	0.3
105.03408	0.2
105.04460	0.7
105.07008	0.8
107.04936	8.0
107.08594	0.3
109.02857	2.9
109.03613	0.2
109.06470	0.2
109.84621	0.2
117.01887	0.3
117.03355	1.2
117.06965	0.2
119.04943	0.2
119.08562	0.4
121.02830	0.5
121.06487	0.7
123.04367	0.2
127.03921	0.3
129.07034	0.1
131.08554	0.4
133.06468	0.3
135.04393	38.0
135.07941	0.8
136.04744	0.5
137.02301	0.4
137.05995	0.3
139.03903	0.3
145.10132	0.8
149.05962	1.3
149.09630	0.5
151.03870	1.5
153.05482	0.3
155.08585	0.3
159.08047	0.5
161.05951	1.4
162.06625	0.2
163.03876	58.1
164.04245	1.0
165.09102	0.3
173.09581	1.1
174.16637	0.1
176.06961	0.2
176.08325	0.2
177.05446	9.3
177.09023	1.5
181.04927	68.5
182.05263	1.1
191.10614	0.8
201.09070	2.9
201.16324	0.3
204.06488	2.3
219.10127	100.0
220.10466	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	219.1013
Annotation	Dihydroeuparin
Peak:m/z	Relative Intensity
52.60843	0.1
52.88344	0.1
53.03932	0.4
55.01858	0.7
55.05494	0.5
57.03428	5.0
65.03922	0.4
67.05497	0.7
69.03425	0.9
69.07042	0.2
69.92191	0.8
70.17455	0.1
71.04975	0.4
72.00462	0.1
79.05482	1.8
81.03390	0.4
81.07044	1.9
83.01329	10.2
83.04976	0.7
85.02874	0.6
91.04913	0.2
91.05464	3.4
91.06036	0.2
93.03400	0.3
93.07031	2.3
93.84801	0.1
95.04963	1.0
95.08589	1.0
103.05466	0.2
105.07017	3.3
107.04968	0.7
107.08578	2.7
109.02864	0.5
109.06501	2.3
109.10120	0.2
110.24686	0.1
111.04420	0.7
115.05447	0.8
116.06189	0.3
116.06958	0.1
117.07007	2.2
119.04906	0.6
119.06013	0.1
119.08554	1.1
120.09367	0.1
121.02847	0.3
121.06480	2.8
121.10130	1.3
123.04406	0.5
123.08018	0.4
127.03881	0.3
128.06180	0.4
129.06998	0.9
130.07782	1.8
131.07616	0.1
131.08551	2.2
133.06480	0.8
133.10114	0.5
134.07292	0.3
135.04398	0.3
135.08031	7.8
135.11691	0.9
136.08406	0.2
137.05954	0.8
137.09555	0.3
139.03880	1.7
141.06999	0.3
142.07736	0.3
143.08525	0.3
144.05664	0.3
145.06490	0.9
145.10104	4.4
147.04401	0.3
147.08051	0.5
148.05194	0.1
148.08748	0.3
149.05977	3.0
149.09592	3.3
151.07521	0.2
153.06967	0.4
154.07774	0.2
155.08528	1.8
158.07254	2.0
159.04385	0.1
159.08017	1.4
160.05170	0.1
161.05954	2.8
161.13367	0.1
162.06741	3.0
163.03827	0.2
163.07515	6.8
163.11162	3.3
165.05476	2.7
165.06883	0.1
165.09120	0.1
173.05940	0.2
173.09601	5.2
175.07542	0.9
176.08308	3.8
177.05490	5.1
177.09082	18.8
178.06012	0.1
178.09428	0.3
181.04930	0.2
181.08551	0.3
183.08009	0.3
186.06781	0.6
189.05441	0.4
190.06241	1.6
191.07043	1.1
191.10645	9.5
201.09077	7.1
202.09381	0.3
203.07042	0.3
203.14253	0.1
204.07791	3.6
219.10130	100.0
220.10469	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05490	0.5
56.95533	0.2
57.03414	0.5
57.06810	0.3
57.07071	4.4
58.06586	0.4
58.07405	1.8
62.06070	0.3
67.05482	0.6
69.07049	0.7
70.06583	6.9
70.82043	0.9
71.04975	0.6
71.06914	3.0
71.08623	2.2
72.08959	1.4
79.05462	0.7
81.07037	1.0
88.07621	10.2
89.07367	0.5
89.07938	4.7
91.05459	1.0
92.17493	0.2
93.07021	0.9
95.04958	0.4
95.08595	0.5
97.02850	0.2
97.06497	0.4
102.09167	2.6
103.05465	2.4
103.09501	1.6
105.03358	0.2
105.07030	1.6
106.08658	5.1
107.04955	0.3
107.09041	2.2
109.06520	0.5
109.10123	0.6
111.08109	0.2
115.05451	0.6
117.07018	1.1
119.08585	1.3
120.81763	0.2
121.06482	0.3
121.10139	0.9
123.04415	2.8
128.06221	0.3
129.06987	1.4
130.07733	0.2
131.03979	0.4
131.04910	4.7
131.08571	1.4
133.06520	0.3
133.10109	1.0
135.04414	0.3
135.08049	0.5
135.11661	0.7
141.06982	0.3
143.04872	0.3
143.08528	0.3
144.05719	0.3
145.06477	1.9
145.10104	2.4
147.11664	0.3
148.05171	0.3
149.05966	7.8
151.03903	0.5
151.07417	0.2
154.89944	0.2
155.08543	0.9
157.06435	1.3
157.17812	0.4
158.07246	0.7
159.08058	0.6
159.11688	1.2
160.05194	1.9
161.05972	4.4
161.13225	0.7
163.03853	0.4
163.07529	0.2
163.11223	0.3
166.18938	0.3
169.22580	0.2
173.05954	0.6
173.09631	3.0
173.13245	0.4
174.06766	0.5
174.18546	0.3
175.07530	4.1
175.18861	0.9
177.05458	0.3
177.09090	1.0
183.08028	0.8
186.06638	0.3
189.09076	3.4
190.06230	0.6
191.06961	0.3
191.10657	5.7
192.88666	0.2
201.09073	3.2
201.16333	1.2
201.20416	6.8
203.14285	1.0
218.21031	0.3
219.10152	6.1
219.17407	5.6
219.21465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.04181	0.3
55.01870	0.9
57.03424	0.4
57.06793	0.4
57.07066	6.0
58.39369	0.2
65.03933	1.8
66.55997	0.2
67.01854	0.8
67.05496	2.2
68.10268	0.2
68.99781	0.4
69.03406	0.2
69.07055	1.1
74.54351	0.2
77.03921	0.6
78.20312	0.2
79.05485	12.8
81.03395	1.4
81.07038	1.0
83.01325	0.6
83.04955	0.3
88.33085	0.2
89.03902	1.0
91.05473	2.5
93.03393	0.7
93.07021	0.7
95.01320	0.6
95.04957	5.8
95.08594	0.6
99.00797	3.0
99.85107	0.2
103.05494	0.3
105.03384	0.2
105.04514	1.0
105.07014	1.0
107.04939	9.1
107.08582	0.6
109.02868	4.2
109.06437	0.2
117.01846	0.3
117.03354	1.6
118.06493	0.3
119.08582	0.8
121.02812	0.6
121.06487	1.0
121.10143	0.3
127.03922	0.3
131.08556	0.7
133.06490	0.4
133.10114	0.5
135.04398	47.0
135.07899	0.6
135.11658	0.3
136.04756	0.6
137.02415	0.4
137.06009	0.3
145.10081	1.1
149.06012	1.1
149.09715	0.2
150.50127	0.2
151.03871	1.5
153.05481	0.5
155.08521	0.4
159.07994	0.5
159.11673	0.3
161.05954	1.5
161.13307	0.2
162.06741	0.2
163.03882	61.8
163.11148	0.4
164.04231	0.7
165.09081	0.2
173.09590	0.9
176.06990	0.3
177.05450	10.5
177.09062	0.9
181.04933	80.2
182.05310	1.0
191.10738	0.5
201.09070	3.0
201.16371	0.3
203.14276	0.4
204.06473	2.4
219.10138	100.0
219.17184	2.1
220.10461	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Dihydroeuparin
Peak:m/z	Relative Intensity
55.01865	0.5
55.05502	0.7
57.03414	0.4
57.07067	3.7
58.06581	0.5
58.07396	2.1
66.43398	0.2
67.05476	0.8
69.07045	0.8
70.06583	6.7
70.85980	1.0
71.04964	0.4
71.06921	2.9
71.08623	2.2
72.08952	1.2
74.63544	0.3
79.05470	1.0
81.07045	1.8
83.05034	0.4
83.08594	0.3
88.07619	9.9
88.77996	0.3
89.07384	0.4
89.07941	4.5
91.05457	1.6
93.07014	1.2
95.04940	0.5
95.08589	1.0
97.06482	0.7
98.20693	0.3
102.09164	2.9
103.05454	3.6
103.09502	1.7
105.07024	2.8
106.08649	4.9
107.04941	0.5
107.09096	1.9
109.10143	0.9
112.14853	0.3
115.05444	0.8
116.06210	0.3
117.07018	2.1
119.08582	1.6
121.06532	0.4
121.10101	1.1
123.04424	3.9
128.06194	0.9
129.06996	2.6
130.07768	0.5
131.04906	8.1
131.08557	2.8
133.06493	0.5
133.10085	0.9
135.11703	0.9
137.05913	0.5
141.06984	0.5
143.08566	0.6
144.05716	0.7
145.06474	2.4
145.10083	3.4
147.08020	0.7
147.11646	0.6
147.19313	0.3
149.05960	12.0
149.13222	0.5
150.98404	0.2
151.03894	1.1
155.08546	1.5
157.06476	1.5
157.17914	0.3
158.07236	1.1
159.08012	1.5
159.11694	1.7
160.05173	3.4
161.05965	6.3
161.09581	0.3
161.13251	1.3
162.06650	0.3
163.03897	0.5
163.07498	0.6
163.11176	0.5
172.05142	0.3
172.71727	0.3
173.05972	0.9
173.09595	4.8
173.13171	0.6
174.06760	0.8
175.07515	5.8
175.14857	0.5
175.18874	0.9
177.05496	0.5
177.09100	2.1
177.12672	0.4
183.08022	1.0
186.06689	0.5
189.09079	4.9
190.06297	0.7
191.10645	9.4
201.09062	5.1
201.16348	1.7
201.20424	6.5
202.09396	0.3
203.14256	1.6
211.59259	0.3
219.06625	0.3
219.10138	8.9
219.17677	7.6
219.21469	100.0
220.21678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01860	0.9
65.17065	1.0
67.05486	1.5
69.07073	0.8
71.10762	1.9
76.98476	0.8
79.05466	1.5
81.07038	1.8
91.05462	8.8
93.07016	2.5
95.04945	1.3
95.08581	1.8
101.08311	0.8
103.05397	1.5
105.07005	3.3
107.08572	2.2
109.06481	0.8
115.04678	1.0
115.05414	6.3
116.06216	2.2
117.07017	5.6
119.08579	2.0
121.06486	0.9
121.10101	1.8
128.06206	7.5
129.06978	28.4
130.07756	2.7
131.04898	6.6
131.08549	33.4
132.05586	1.0
133.10152	2.7
135.07990	2.0
137.05942	3.1
141.06960	26.9
143.04878	1.4
143.08577	2.0
144.05717	4.6
145.06488	5.1
145.10098	3.3
146.07213	2.2
147.08034	0.9
151.03877	1.8
151.07533	1.0
155.08507	1.5
156.05708	1.0
157.06459	16.7
157.10104	1.2
158.07249	18.7
159.04396	2.9
159.08031	22.9
159.11639	6.5
160.05170	3.1
161.09573	3.0
161.13206	1.2
163.07497	2.2
168.05679	1.1
169.06442	11.3
169.07726	1.3
170.07248	6.5
171.04468	1.0
173.05927	3.5
173.09598	2.5
173.13213	2.0
174.06738	61.1
175.07483	8.4
177.09132	1.2
185.05965	1.1
186.06770	13.6
187.07414	1.8
188.08298	3.7
189.09081	80.6
190.09360	1.8
191.07014	1.0
191.10660	7.0
201.09070	33.4
201.12750	2.7
201.16319	2.0
203.14273	4.0
219.10132	100.0
219.13736	7.3
219.17314	12.8
220.10527	2.0
226.26550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.30724	0.6
50.51548	0.5
55.05497	1.3
57.07077	0.5
58.37127	0.6
67.05480	1.7
69.03424	0.8
69.07078	0.7
69.25087	0.6
70.43501	1.2
70.43897	1.1
79.05476	1.8
81.07036	1.8
83.83559	0.5
85.06529	0.6
91.05466	8.7
92.04970	0.6
93.07014	1.7
95.04961	0.9
95.08582	1.3
98.20681	0.6
103.05434	1.6
105.07026	3.2
107.08568	1.4
109.06487	0.7
115.05431	6.8
116.06203	2.2
117.07012	2.7
119.08579	2.9
121.06487	0.7
121.10145	1.6
123.08063	0.7
123.11758	0.7
128.06204	6.6
129.06992	26.0
130.07724	1.8
131.04930	5.8
131.08553	25.4
133.06509	0.6
133.10112	2.0
137.05969	3.2
141.06969	25.3
143.04912	2.3
143.08542	2.0
144.05667	3.6
145.06471	5.2
145.10103	3.3
145.11066	0.5
146.07254	3.4
147.08109	0.8
147.11655	1.2
148.05167	1.2
151.03903	1.5
155.08516	0.6
157.06467	16.5
158.07260	14.2
159.04381	2.3
159.08043	20.9
159.11644	1.6
160.05185	4.1
161.09615	2.9
161.13249	1.0
162.06728	0.9
163.07541	1.9
168.05641	0.8
169.06467	10.4
169.07748	1.1
170.07257	5.2
171.08012	0.7
173.05965	3.9
173.09612	1.8
174.06747	52.1
175.07504	8.9
175.14806	0.7
176.08305	0.7
177.09123	0.7
183.08008	1.0
185.05920	0.9
186.06744	12.7
187.07445	1.3
188.08339	2.7
189.09087	72.9
190.09416	1.7
191.07028	0.8
191.10637	5.9
201.09091	33.1
201.16360	2.5
203.14288	3.4
219.10136	100.0
219.17389	18.6
220.10498	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70565	22.0
54.02966	24.1
71.33067	36.7
71.33405	41.1
72.43749	26.6
84.08121	40.3
98.20771	27.2
98.97562	31.9
118.04728	27.7
133.92979	23.8
164.25642	26.9
200.64268	27.2
219.02672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.55931	0.7
55.05496	1.2
57.03415	1.4
58.73204	0.8
63.02359	0.7
67.05486	1.8
69.07042	1.2
69.77917	3.4
69.78348	3.0
77.51928	0.7
79.05475	1.4
80.51860	0.8
80.59900	0.8
81.07030	2.6
83.04931	1.0
85.43417	0.8
91.05457	7.4
91.70719	1.0
93.07016	1.9
95.08570	2.8
98.20702	1.4
103.05437	2.3
105.07043	5.0
107.04957	1.1
107.08556	2.5
108.83502	0.8
109.10126	1.5
115.05448	7.2
116.06216	2.1
117.06992	2.8
119.08547	3.5
121.10094	2.1
128.06213	6.3
129.06995	27.3
129.07976	1.4
130.07797	2.2
131.04910	5.5
131.08560	27.9
133.10126	4.0
137.05980	2.8
141.05908	1.4
141.06978	25.7
142.07764	0.9
143.04904	1.3
143.08508	1.7
144.05681	3.1
145.06462	5.2
145.10153	5.1
146.06136	0.9
146.07187	3.8
148.05161	1.0
157.06487	14.1
158.07275	13.4
159.04379	2.2
159.08047	20.4
159.11641	3.0
160.05168	4.1
161.05838	1.1
161.09601	3.3
161.13239	4.2
163.07510	1.6
163.11241	1.0
168.05644	1.5
168.64439	0.9
169.06436	11.9
169.07741	1.1
170.07233	4.9
171.07944	1.2
173.05969	2.9
173.08154	0.8
173.09604	2.1
173.13295	1.4
174.06760	53.4
175.07526	10.3
175.08926	1.3
175.14787	1.1
176.08331	1.2
181.07576	0.8
185.05937	1.1
186.06760	13.3
187.07486	1.5
188.08263	3.9
189.09091	69.1
190.09491	1.2
191.07068	1.3
191.10632	6.0
196.20023	0.8
201.05508	1.2
201.09099	29.1
201.16347	3.9
203.14302	5.7
214.08014	0.7
219.10143	100.0
219.17404	27.5
220.10374	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72250	1.3
56.96565	8.0
67.39767	1.7
70.14635	5.3
70.15057	3.4
71.95258	2.0
83.04966	1.9
84.05287	1.8
87.77922	1.5
98.97570	100.0
106.65267	1.7
111.04432	2.3
112.04726	2.7
116.98609	92.4
119.01872	3.4
129.48703	1.3
134.99640	57.3
140.00183	4.3
153.00719	9.0
156.07368	5.6
158.01222	14.0
158.99625	1.5
172.01598	1.8
173.07956	1.5
174.08401	4.0
176.02303	4.7
176.05887	2.4
177.00713	20.4
191.59952	1.3
195.01746	14.2
203.50436	1.4
218.11055	5.2
219.02008	2.8
219.07153	2.3
220.90599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01860	1.1
55.05504	9.7
57.03432	2.0
57.74292	0.4
59.04990	1.0
61.02916	0.7
67.05483	1.1
69.03419	43.4
69.07061	0.6
69.59344	1.1
69.59760	2.8
71.01347	0.8
73.02907	1.5
79.05495	0.5
81.07056	0.8
83.04966	14.5
83.08606	0.6
85.02892	83.9
85.06514	0.8
87.04458	1.5
87.89956	0.4
89.02380	1.1
89.06019	4.6
91.05477	1.1
95.08596	0.5
97.02877	100.0
98.21525	0.7
99.04447	0.7
101.06005	6.5
105.07013	1.5
107.08580	0.7
111.04427	21.3
111.08096	0.5
113.05978	2.0
115.03915	8.9
119.08560	1.4
121.10154	0.7
127.03881	5.6
127.07548	2.5
128.06183	0.6
129.05457	6.1
129.06920	0.8
131.08545	1.3
133.10103	0.9
137.06021	0.6
139.01498	0.7
139.03896	1.8
142.07791	0.6
143.08569	1.0
145.10129	0.6
147.06532	0.5
147.07956	0.5
147.11615	0.5
155.07010	26.8
156.05699	0.4
157.04948	8.8
157.10106	1.2
159.11705	0.9
161.05956	1.3
161.09543	1.1
161.13216	0.5
173.08076	20.9
173.13216	0.5
175.11113	0.6
187.07603	0.4
189.09055	0.9
199.09631	2.2
199.14726	0.6
217.05061	0.6
217.08624	1.7
217.10649	19.2
217.15764	3.5
217.19475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.05496	5.5
55.26176	0.4
57.03415	1.3
61.32225	0.4
67.05477	0.6
69.03418	3.9
69.69210	1.6
69.69631	1.6
71.90495	0.4
73.02895	1.3
74.59901	0.4
81.07052	1.4
83.04965	7.2
85.02889	100.0
85.06562	0.4
86.03223	0.6
86.23114	0.4
89.02374	0.6
89.06027	2.2
91.05449	0.9
96.48447	0.4
97.02876	15.9
97.03485	0.9
99.04476	0.6
101.06020	3.0
105.07018	1.0
109.06530	0.9
111.04420	11.3
113.05991	1.2
113.83776	0.4
115.03916	6.7
117.25507	0.4
119.08559	0.5
121.06500	1.0
127.03894	7.4
127.04764	0.7
127.07549	1.6
129.05472	3.6
129.06996	0.9
131.08537	0.7
133.06476	0.5
134.00748	0.5
139.53712	0.4
142.07832	0.5
143.08559	0.9
155.07011	14.6
156.05800	0.5
157.05005	1.4
157.10022	0.8
159.11705	1.0
161.06015	0.7
161.09563	0.5
171.11703	0.9
173.08060	11.0
183.29390	0.5
199.09676	1.1
199.11301	0.8
199.14748	0.7
217.04999	0.7
217.06969	0.6
217.08633	1.1
217.10579	10.1
217.15935	1.5
217.19449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
57.03427	1.5
59.05008	0.5
61.02906	0.9
69.03421	25.1
69.95395	3.5
73.02891	1.1
83.04968	7.0
85.02894	100.0
87.04471	1.0
87.22142	0.4
89.02381	0.5
89.06020	2.3
91.05495	0.5
97.02879	63.2
98.21467	0.5
101.06010	2.9
111.04426	10.6
113.05993	1.5
115.03925	8.5
127.03910	5.5
127.07545	1.3
129.05438	2.6
133.38884	0.5
155.07008	12.7
156.05695	0.8
157.04951	7.4
173.08070	12.1
199.09593	0.8
215.19626	0.5
217.08600	1.2
217.10663	10.0
217.12689	0.9
217.15950	0.8
226.62054	0.5
228.44405	0.5
229.07018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05503	8.4
57.03417	0.8
59.04994	1.0
67.05502	0.9
69.03423	38.8
71.69058	1.6
73.02908	2.3
83.04971	14.4
85.02894	49.2
87.04442	1.6
89.02382	1.8
89.06029	5.2
95.04946	1.1
95.58110	0.9
97.02882	100.0
101.06002	7.1
104.74332	0.8
105.07013	1.5
111.04432	22.9
113.05994	1.7
113.41199	1.0
115.03925	10.4
119.08551	1.6
127.03889	2.9
127.07581	2.8
129.05461	6.4
131.08527	0.8
139.03906	6.2
140.90811	0.8
143.08554	1.7
146.37032	1.0
155.07014	28.0
156.05679	1.8
157.04956	18.0
157.10107	1.5
158.21300	0.8
159.11687	1.8
161.05984	3.3
161.09618	1.2
171.11661	0.9
173.08080	24.9
175.07430	1.2
199.09657	1.4
217.08636	2.8
217.10620	21.0
217.15872	2.9
220.17912	1.0
230.95270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1638
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
55.05504	23.4
57.03417	4.2
57.07057	3.2
62.16313	1.6
63.49340	1.4
67.05492	29.9
67.42353	1.5
69.07057	27.0
69.91096	11.5
71.04987	15.9
73.06508	2.0
74.09699	3.3
79.05464	15.3
81.07045	80.7
82.43324	1.7
83.04953	4.7
83.08607	22.1
85.06533	21.3
87.83683	1.6
89.76993	1.5
90.16440	1.8
91.05457	20.4
93.07034	19.1
95.04953	2.0
95.08591	100.0
97.05937	2.5
97.06515	23.5
97.10177	11.0
98.98455	6.0
99.08085	8.6
101.06001	4.1
105.07010	23.8
107.08572	8.8
109.06496	3.6
109.10131	9.0
111.08047	4.9
113.09613	3.1
115.07563	2.0
119.08561	42.4
121.10107	13.3
123.08044	6.6
131.08530	2.5
132.95857	2.4
133.10110	23.9
135.11679	21.7
137.09592	5.7
137.13234	17.3
139.01576	6.7
141.09059	2.3
145.10143	2.0
150.96846	3.5
159.04378	2.0
161.02292	4.9
161.13237	80.1
165.59442	1.7
173.02321	15.0
179.14290	43.6
187.07500	2.6
191.97112	2.5
197.15367	17.9
209.74992	1.8
211.51314	1.6
211.87022	1.6
215.06938	9.4
215.10519	3.4
215.14301	2.6
215.17955	3.3
224.71465	1.7
228.74785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1639
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03928	2.0
54.72218	1.0
55.01865	1.7
55.05503	23.4
57.03421	4.0
57.07078	2.1
59.66962	1.2
67.05493	29.9
69.07056	25.0
70.40204	2.9
71.04981	11.6
74.09715	2.2
79.05487	17.5
81.07045	73.5
81.41663	1.1
83.04964	5.6
83.08606	20.1
85.06533	25.1
91.05468	17.8
93.07036	20.6
95.04979	1.5
95.08592	100.0
97.06518	23.4
97.10150	9.2
98.32854	1.3
98.98471	1.8
99.08076	11.0
101.06025	1.7
105.07013	25.8
107.08575	9.3
109.06521	3.6
109.10141	7.6
111.08070	3.6
113.09644	1.8
115.07571	3.7
117.06999	1.8
119.08566	37.2
119.09407	2.2
120.97876	1.1
121.10125	10.5
123.08060	7.3
127.07534	2.7
133.10107	26.8
135.11670	18.6
137.09590	3.9
137.13226	17.6
139.01587	4.0
141.09105	2.2
151.14839	1.8
158.49951	0.9
161.13234	83.6
162.03592	1.1
162.13582	1.7
179.14290	44.2
197.15332	17.9
197.16969	1.3
203.52180	1.0
215.10583	1.1
215.14217	1.1
215.17789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1638
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03932	2.1
55.01851	2.2
55.05503	22.5
57.03429	6.0
57.07058	3.1
57.94695	1.2
65.03938	1.4
67.05498	33.6
68.65546	1.2
69.03411	2.1
69.07059	28.3
71.04981	16.3
71.07944	2.7
72.93770	1.5
73.06553	1.8
74.09695	2.7
79.05481	16.7
81.07043	80.2
83.04938	5.6
83.08605	20.9
85.06534	22.6
88.50766	1.4
91.05467	19.9
93.07024	19.5
95.04952	3.6
95.08592	100.0
96.69257	1.2
97.05946	1.8
97.06516	21.7
97.10131	8.9
98.97563	2.8
98.98434	4.0
99.08082	12.1
101.05982	2.8
105.07018	24.3
106.97356	1.4
107.08565	12.3
109.06479	2.9
109.10137	12.1
111.08060	4.2
113.09618	3.3
115.05441	1.7
115.07536	2.1
117.06997	2.0
119.07733	2.7
119.08563	42.1
121.10124	11.6
123.08086	6.8
127.07482	1.5
131.08546	3.6
132.95793	1.7
133.10106	31.0
134.10497	1.3
134.99603	1.9
135.11667	18.6
137.09584	4.0
137.13234	18.3
139.01558	4.7
141.06960	4.9
141.37822	1.3
149.13280	1.2
150.96822	2.5
151.11156	3.7
151.14796	2.4
155.10611	1.5
159.08020	1.4
161.13234	83.2
162.13609	1.7
169.06473	5.4
169.10107	1.3
172.08815	1.9
173.05969	2.3
173.09608	1.9
179.10655	5.0
179.14285	46.8
187.07448	6.8
197.05971	4.8
197.15318	18.0
200.04613	2.4
215.07005	13.6
215.10602	8.5
215.14215	2.8
215.16319	1.5
216.12297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05499	3.0
56.96561	17.5
57.03419	6.7
57.19250	2.0
58.06595	2.4
61.02906	8.9
65.03948	3.3
67.05502	15.6
69.03416	14.6
70.06557	5.5
71.62689	4.1
72.08147	47.0
73.02921	10.4
77.24261	2.2
81.03397	2.7
83.04949	2.0
85.02884	12.9
93.03374	7.9
95.01277	2.5
95.04952	3.6
97.02885	8.0
98.97572	14.5
98.98508	6.1
99.04431	2.6
101.00868	4.5
107.03445	7.5
110.01320	2.4
110.97536	4.3
111.04394	2.5
113.02354	8.5
116.01247	3.7
116.07070	3.6
116.98624	7.6
119.01893	24.6
125.01775	4.4
125.04489	19.0
128.02322	3.2
128.98622	3.6
130.05069	2.6
131.01826	2.6
133.03473	2.8
134.02293	5.2
134.99646	4.9
137.02937	3.9
139.01544	8.2
143.00166	2.9
143.02751	4.7
144.03502	2.6
146.02309	2.8
146.99644	4.1
148.06071	14.0
149.02840	3.1
153.03975	3.1
158.90443	2.3
161.01228	2.2
161.02855	4.9
164.57538	2.4
169.03419	4.8
169.13336	9.9
170.03354	5.3
170.99626	3.9
171.04997	3.8
173.02872	3.5
177.00781	4.8
185.01166	2.9
187.02838	3.7
187.04533	9.0
189.00687	2.7
192.05080	8.2
197.02913	3.9
197.06459	2.4
201.00729	4.4
206.02678	4.3
206.04437	6.0
210.06059	7.1
211.04480	2.4
215.01624	100.0
215.05090	25.8
215.07106	3.8
215.13918	30.9
219.01743	5.2
230.97913	2.1
233.05067	2.5
237.02756	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	214.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16787	0.8
53.03932	0.9
54.81923	0.7
55.01862	1.2
55.05505	43.9
56.05031	1.0
57.03416	3.1
57.07059	2.2
59.84200	0.7
65.03934	0.9
66.31654	0.7
67.05167	1.3
67.05500	23.8
68.99792	0.8
69.03410	1.7
69.07058	45.8
69.61034	6.5
70.06573	0.9
70.07397	0.8
71.04976	5.0
73.06537	2.5
79.05476	13.0
80.09355	0.7
81.07047	76.5
83.04969	5.3
83.08609	41.1
85.06537	7.4
91.05479	11.8
92.45031	0.8
93.07028	18.0
95.04946	1.8
95.08595	91.7
96.08926	1.2
97.06523	13.9
97.09587	1.3
97.10159	14.0
98.09693	1.2
99.08083	3.5
101.06005	2.9
105.06351	1.4
105.07019	16.4
107.08587	7.8
108.08945	0.9
108.61816	0.9
109.06545	4.3
109.10143	11.7
111.08076	4.2
113.06004	0.9
113.09614	1.5
115.07552	2.2
117.06985	1.8
119.08563	26.2
121.10135	7.7
123.08069	8.5
123.11728	0.9
127.07534	2.6
127.11192	1.6
131.08499	0.8
133.10115	19.3
135.11676	13.7
137.09615	6.4
137.13242	20.4
141.06935	1.5
141.09035	1.8
149.13252	1.7
151.14844	1.5
155.10690	1.0
161.13240	49.5
173.02309	1.0
179.14290	13.8
183.07568	0.8
193.66125	0.8
196.16954	16.6
197.05946	1.4
214.17995	100.0
215.07008	9.4
215.18311	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93542	1.2
53.03934	3.4
55.01854	2.0
55.05505	47.0
56.05024	1.6
56.05828	1.4
57.03430	3.3
57.07056	2.6
67.05496	25.7
69.03427	2.4
69.07062	45.5
69.83347	6.4
69.83778	4.1
70.06586	2.0
71.04982	5.2
73.06541	2.1
79.05482	13.9
81.07047	76.8
83.04957	6.1
83.08609	42.8
84.08112	2.3
84.08903	1.4
85.02924	2.6
85.06519	5.8
86.78748	1.4
90.94835	1.7
91.05482	12.9
91.63340	1.4
93.07037	16.6
94.07352	1.4
95.04950	3.0
95.08598	100.0
97.06512	15.6
97.10159	16.0
98.09675	4.9
98.21426	2.9
98.98425	2.3
99.08071	3.5
100.07638	2.3
100.11243	7.3
101.05998	2.6
101.11562	3.5
105.07024	20.7
107.08589	8.4
108.05304	2.2
109.06510	4.7
109.10149	13.0
111.08057	3.7
113.09633	1.8
115.07509	2.7
117.06990	1.8
119.08575	31.4
121.10152	9.4
122.06020	1.8
123.08060	10.6
132.95831	3.5
133.10095	21.4
135.11688	13.8
137.09605	5.7
137.13231	20.8
139.01534	4.8
141.00027	2.4
141.07065	1.8
141.09126	2.4
141.11510	2.8
141.61591	4.6
149.13289	1.7
149.96042	1.5
150.96860	5.5
151.14777	2.0
154.08632	2.3
158.20163	1.4
159.04375	2.7
159.07976	2.0
159.11623	1.9
161.02402	4.0
161.13248	52.5
167.06975	1.7
173.02377	7.9
179.14331	11.5
182.15375	2.8
183.15736	2.5
187.07536	2.0
191.97194	2.0
196.16931	17.8
197.05931	2.6
199.18150	2.0
200.18372	2.1
213.67966	9.5
214.05779	1.7
214.17999	93.8
215.07050	15.0
215.10632	6.6
215.14233	1.7
215.18294	5.4
228.37566	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.96272	0.9
54.15669	1.1
55.01862	1.9
55.05505	30.0
57.03426	2.9
57.07069	14.2
59.04991	1.3
64.55133	0.8
65.03889	1.5
67.05497	20.3
69.03414	1.5
69.07061	34.7
69.91308	7.3
71.04986	6.3
71.08619	1.9
74.00875	0.9
74.50893	0.8
79.05482	19.4
81.07047	56.0
83.04972	2.1
83.08608	23.9
85.06541	9.9
91.05439	6.7
93.07034	44.6
95.04965	1.9
95.08597	89.1
97.06536	3.2
97.10154	15.0
99.08079	6.3
105.07018	4.4
107.04942	1.9
107.08582	63.1
109.10146	35.1
111.08076	5.9
111.11684	6.2
119.08634	1.7
121.10134	75.4
123.11694	11.1
125.09582	4.8
131.54416	0.9
135.08022	1.0
135.11679	29.0
137.13245	13.9
139.11157	10.0
149.13219	7.2
151.14821	3.9
153.12749	3.3
157.12268	2.4
165.16341	8.2
167.07083	2.0
176.68893	1.0
177.16370	100.0
178.16701	2.1
183.17451	2.9
185.09904	2.8
195.06546	1.9
195.17412	20.6
195.19003	1.8
213.05455	2.6
213.09311	3.3
213.18484	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	213.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58671	1.1
53.03941	2.1
55.01876	2.0
55.05503	30.2
56.96546	1.2
57.03423	3.5
57.07069	11.7
59.04987	1.8
65.24641	1.1
67.05499	18.6
69.03422	4.3
69.07061	34.0
70.06593	1.6
70.07388	1.2
70.75027	4.5
71.04991	7.3
71.08608	2.2
72.08170	1.4
73.35394	1.1
79.05485	17.6
81.03436	1.3
81.07045	54.5
83.04977	5.5
83.08609	30.5
84.65459	1.4
85.02898	2.7
85.06523	11.2
86.09696	3.1
88.07628	3.8
91.05456	7.4
91.58101	2.2
93.07030	45.0
94.06573	1.2
95.04961	3.6
95.08591	81.9
97.06526	4.7
97.10156	13.3
98.97572	1.6
99.08073	7.4
100.07597	1.2
100.11234	14.3
105.06984	6.0
107.04923	7.5
107.08578	57.0
109.06487	1.7
109.10141	33.6
111.04431	1.6
111.08046	7.9
111.11705	4.9
112.07575	1.2
113.09609	1.2
119.06064	1.2
119.08557	2.6
121.10130	77.0
123.08038	1.8
123.11681	14.0
125.09617	5.7
128.06239	1.4
133.10072	1.4
135.11682	25.9
137.13243	12.6
139.05402	1.5
139.11183	9.6
140.04752	1.6
141.07431	2.6
141.11482	11.6
141.61597	2.0
142.07716	1.4
145.10072	1.2
149.09598	1.3
149.13231	7.9
150.16286	1.3
151.03827	1.8
151.14835	3.8
152.06187	2.1
153.09087	2.3
153.12766	4.9
153.67352	1.2
154.12271	4.5
155.11086	1.2
157.10165	1.4
159.11707	1.2
163.03870	2.1
163.07538	2.3
165.16368	7.8
167.07027	7.9
167.08780	4.8
171.04546	1.3
177.00731	1.9
177.12903	2.8
177.16360	100.0
178.16667	1.3
182.15425	6.2
183.15749	1.7
183.17433	3.1
185.05968	1.7
185.09961	13.5
195.06509	7.8
195.08075	3.5
195.10124	2.5
195.13791	1.8
195.17456	17.2
199.18074	8.2
213.05573	5.7
213.09306	16.0
213.11206	2.1
213.12796	1.4
213.14627	2.0
213.17928	15.1
213.67943	2.0
225.15959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03931	1.1
55.01629	0.7
55.01864	8.5
55.05504	40.1
57.03415	1.6
57.07056	1.9
59.04977	1.7
65.49509	0.5
67.05132	0.9
67.05496	17.9
69.03413	3.9
69.07056	9.2
69.34997	0.5
70.06587	0.7
71.04982	45.7
71.08629	0.4
71.47947	1.0
79.05487	12.1
79.83151	0.5
80.05817	0.7
81.03410	1.0
81.07047	19.8
83.04982	3.6
83.08606	26.6
85.02879	0.5
85.06540	5.3
87.04017	0.6
87.04464	6.8
87.04935	1.0
88.07616	1.1
91.05468	4.3
93.07031	13.0
95.04946	1.5
95.08585	6.8
97.06518	64.0
97.10153	44.7
98.06814	0.6
99.08061	1.3
101.05974	1.1
101.09630	1.3
105.07001	2.2
107.04936	2.2
107.08579	14.9
109.06473	1.8
109.10142	12.1
111.08051	3.4
115.05449	0.7
117.07005	3.0
119.08569	1.2
121.06506	1.4
121.09375	0.5
121.10087	3.2
123.08036	0.8
123.11671	0.6
125.09614	27.2
127.03944	0.6
127.07534	0.5
128.06271	0.6
129.06993	0.9
131.08546	2.9
133.10110	2.4
135.08040	4.5
135.11684	4.6
139.07478	0.7
140.04744	0.6
142.07684	1.0
143.10577	0.7
147.11711	1.0
149.09599	0.9
149.13252	3.9
153.09076	1.7
155.06940	0.6
157.06500	0.8
157.10072	0.6
159.11671	3.4
167.07040	1.9
167.08730	2.2
167.14307	1.1
171.07976	0.5
171.10185	0.7
177.12743	5.1
177.16299	1.1
184.09814	0.8
185.05951	1.2
185.09918	4.7
189.11192	5.9
195.06499	3.3
195.08034	1.0
195.13779	31.8
196.14096	0.6
213.05467	16.1
213.09312	5.5
213.14822	100.0
214.05774	0.8
214.15199	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03930	3.8
55.01858	3.8
55.05503	17.2
57.03427	4.8
57.07064	4.2
59.05004	2.6
67.05495	85.5
67.05861	4.3
68.99747	2.3
69.03422	4.0
69.07060	21.3
70.06575	5.5
70.50984	3.6
70.51402	6.5
71.04993	13.4
79.05480	33.0
81.03407	4.4
81.07047	100.0
83.01324	2.1
83.04961	6.9
83.08621	17.7
84.08077	3.2
85.06523	12.5
88.07619	5.9
91.05463	25.9
93.06450	3.9
93.07032	63.2
95.04933	11.8
95.08028	3.3
95.08598	53.1
97.02894	2.1
97.06514	19.7
97.10158	2.8
99.04440	5.1
99.08083	8.5
105.07009	10.5
107.04949	9.5
107.08583	30.5
109.06490	5.3
109.10181	9.2
110.07149	2.7
111.04465	2.4
111.08073	8.1
113.06018	2.8
113.09627	2.4
117.07017	18.2
119.08600	3.4
121.06469	2.1
121.10094	12.9
125.06039	2.3
127.03913	2.6
129.06984	6.2
131.08553	18.4
133.10127	22.1
135.04420	4.1
135.08070	4.6
135.11668	39.8
137.13261	2.8
139.03958	1.9
139.11197	3.2
140.04640	7.6
141.00008	2.1
141.07300	3.3
147.11678	2.3
149.09612	4.0
149.13239	48.7
151.03914	4.4
151.11127	3.7
153.05396	2.5
153.09082	2.8
155.07028	5.7
155.40657	2.0
157.06494	2.2
157.10158	6.5
159.11667	45.8
163.03882	4.8
163.07475	2.3
167.07014	8.2
167.08781	4.5
171.11667	4.3
177.12740	27.7
177.16333	7.3
181.04951	6.4
185.09987	20.8
186.10103	1.8
195.06532	23.7
195.08165	3.0
195.10100	2.1
195.13750	30.3
195.17474	2.2
204.78087	1.8
213.05537	11.2
213.07280	4.1
213.09409	27.2
213.12700	7.1
213.16533	10.9
213.18214	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	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03937	1.2
55.01866	9.5
55.05506	42.8
57.03419	1.0
57.07034	0.6
59.04996	1.5
65.03925	0.7
67.05143	0.8
67.05499	18.3
69.03428	4.6
69.07063	8.8
69.51965	7.7
71.04985	46.7
79.05487	12.2
81.03387	1.0
81.07053	19.0
83.04977	3.6
83.08614	27.4
85.06528	4.2
86.73039	0.8
87.04463	7.7
88.07619	0.8
91.05463	3.8
91.31923	0.6
93.07036	13.9
95.04946	1.0
95.08593	8.3
97.06525	65.6
97.10162	41.0
97.10728	1.1
99.08054	0.8
101.09648	1.6
105.07028	1.9
107.04918	0.7
107.08581	15.2
109.06519	1.3
109.10154	11.5
111.08073	3.3
117.07006	2.8
121.06415	0.9
121.10116	2.5
123.08034	0.8
125.09621	26.4
131.08611	3.1
133.10100	4.6
135.08020	4.0
135.11691	3.1
143.10623	1.0
149.09590	1.0
149.13229	3.4
153.09090	1.3
159.11655	4.3
167.07025	0.8
167.14345	1.1
177.12738	7.1
180.51367	0.7
185.06071	0.8
185.09875	2.4
189.11180	5.7
193.81412	0.7
195.06476	1.8
195.08057	0.9
195.13789	34.8
195.15608	1.6
213.05508	4.8
213.09283	3.6
213.14839	100.0
214.15240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03923	2.1
53.91719	0.8
55.01858	8.8
55.05504	38.8
57.03416	3.2
57.07055	2.0
59.04984	1.7
61.91873	0.8
67.05152	1.2
67.05495	18.8
67.69695	0.8
68.99778	1.6
69.03419	7.4
69.07057	15.5
70.06564	2.0
71.01331	1.9
71.04984	42.3
71.77162	1.1
71.77615	1.4
73.06565	1.6
79.05479	14.8
81.03395	2.1
81.06564	0.9
81.07044	24.5
83.04970	7.6
83.08608	30.5
85.02889	6.0
85.06528	7.2
86.09689	1.4
87.04458	9.3
88.07606	2.4
91.05459	7.4
93.06455	0.9
93.07030	17.9
95.04937	3.2
95.08588	13.3
97.02867	0.8
97.06518	61.4
97.10158	41.0
99.04422	2.0
99.08076	3.3
101.05985	1.4
101.09600	1.6
103.05458	1.6
105.07005	4.4
107.04935	8.4
107.08578	20.3
109.02845	1.3
109.06472	2.2
109.10136	14.0
111.04436	1.5
111.08060	6.5
113.05938	1.1
115.05415	2.2
115.07548	1.2
117.06979	3.9
119.08546	2.0
120.10664	0.9
121.06509	1.6
121.10107	9.7
123.04421	1.0
123.08057	1.9
123.11656	1.7
125.05993	1.9
125.09617	24.5
127.03888	2.1
127.07566	1.1
128.06172	5.0
129.07022	6.7
131.08539	3.1
133.10106	4.3
135.04355	0.9
135.08034	6.1
135.11696	9.3
139.05402	2.7
139.11189	1.2
140.04654	2.3
141.07030	0.8
141.09027	1.3
142.07761	4.1
143.08478	1.0
145.06458	1.8
147.11603	0.8
149.09593	1.5
149.13255	6.0
151.11267	1.0
152.04692	0.9
152.06181	2.7
153.05406	1.7
153.09099	3.3
153.12698	4.3
155.07057	1.9
155.08461	1.1
157.06456	7.7
157.10118	3.9
159.11697	5.4
163.03979	0.9
163.07527	4.1
163.48763	0.9
165.06978	1.1
165.12679	0.9
167.07007	11.6
167.08673	4.0
167.10617	1.4
167.14255	2.9
169.06532	1.1
170.07275	3.0
171.04427	1.3
177.05513	0.9
177.12733	8.3
177.16356	10.4
184.05165	5.4
185.05920	9.3
185.09706	12.4
185.12946	0.8
189.11174	5.3
195.02969	1.2
195.06464	7.0
195.08070	2.8
195.10126	3.1
195.11928	1.9
195.13783	39.3
195.17436	2.4
198.06757	1.9
213.05486	50.9
213.07420	2.5
213.09175	23.0
213.14816	100.0
214.05681	1.4
214.15190	1.8
226.93217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50142	1.3
53.03915	1.8
53.80701	1.5
55.01848	4.9
55.05500	17.9
57.03427	13.7
57.07060	3.4
64.85390	1.5
67.05492	77.4
67.63826	1.4
69.07051	28.3
70.93295	4.6
71.04977	8.4
71.88415	1.3
79.05481	37.2
81.03394	1.5
81.07043	100.0
83.04965	10.1
83.08607	19.4
83.95538	1.6
85.06528	8.9
87.62268	1.5
88.07592	4.8
91.05470	22.0
93.07027	70.7
95.04949	6.9
95.08593	28.5
97.06033	1.7
97.06521	17.5
97.10125	2.7
99.08077	6.2
105.07002	7.9
107.04945	2.6
107.08575	34.1
109.06484	3.5
109.10133	2.9
111.08055	10.4
117.06987	10.5
119.08544	3.2
121.10123	20.1
123.08033	1.9
131.08565	13.8
133.10110	7.8
135.08089	2.1
135.11673	17.6
139.11115	1.6
140.04633	1.8
141.07391	2.5
143.08661	1.6
147.11641	1.8
148.27980	1.6
149.13235	57.2
157.10083	4.1
159.11658	25.0
163.03960	1.8
167.07011	2.7
167.08936	4.2
171.11699	3.1
177.12718	14.0
185.10019	18.4
195.06500	13.8
195.13783	16.5
213.05458	13.9
213.09480	14.3
213.12791	3.0
213.16333	4.5
216.40335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.50142	1.3
53.03915	1.8
53.80701	1.5
55.01848	4.9
55.05500	17.9
57.03427	13.7
57.07060	3.4
64.85390	1.5
67.05492	77.4
67.63826	1.4
69.07051	28.3
70.93295	4.6
71.04977	8.4
71.88415	1.3
79.05481	37.2
81.03394	1.5
81.07043	100.0
83.04965	10.1
83.08607	19.4
83.95538	1.6
85.06528	8.9
87.62268	1.5
88.07592	4.8
91.05470	22.0
93.07027	70.7
95.04949	6.9
95.08593	28.5
97.06033	1.7
97.06521	17.5
97.10125	2.7
99.08077	6.2
105.07002	7.9
107.04945	2.6
107.08575	34.1
109.06484	3.5
109.10133	2.9
111.08055	10.4
117.06987	10.5
119.08544	3.2
121.10123	20.1
123.08033	1.9
131.08565	13.8
133.10110	7.8
135.08089	2.1
135.11673	17.6
139.11115	1.6
140.04633	1.8
141.07391	2.5
143.08661	1.6
147.11641	1.8
148.27980	1.6
149.13235	57.2
157.10083	4.1
159.11658	25.0
163.03960	1.8
167.07011	2.7
167.08936	4.2
171.11699	3.1
177.12718	14.0
185.10019	18.4
195.06500	13.8
195.13783	16.5
213.05458	13.9
213.09480	14.3
213.12791	3.0
213.16333	4.5
216.40335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.21667	1.1
53.03925	1.6
53.38789	1.1
55.05501	20.0
57.03417	3.0
57.07065	12.0
67.05492	8.4
69.03412	2.2
69.07072	6.1
70.93139	3.6
71.04969	2.1
79.05485	5.9
81.07043	12.2
83.04967	9.0
83.08613	3.1
85.06538	6.3
88.07619	6.3
89.93009	0.9
91.05474	6.1
93.07027	17.1
95.04948	3.7
95.08604	13.3
97.06516	7.7
105.07008	7.6
105.51719	1.0
107.04948	4.0
107.08584	24.7
109.06512	6.3
109.10137	4.0
110.07104	1.1
111.04430	100.0
111.08056	5.2
112.24120	1.0
113.05978	1.4
116.14352	1.0
117.07033	2.2
119.08572	3.2
119.15304	1.4
121.06482	3.9
121.10162	6.4
122.07293	1.7
123.08073	2.0
123.97968	1.0
125.05982	29.9
125.09632	1.2
127.07557	2.6
129.07001	2.3
130.07727	1.6
133.10104	1.7
135.08032	16.4
135.11681	22.4
137.09683	1.3
137.13234	2.4
138.18365	1.1
139.07506	5.1
140.04614	2.6
141.07346	3.3
143.08559	5.4
145.10106	18.4
149.13232	4.0
153.12723	7.1
155.07048	1.3
156.09334	1.7
157.10135	6.1
159.11731	1.5
163.03821	1.4
163.09787	1.6
163.11166	26.2
165.88591	1.1
166.08653	1.2
167.07037	3.7
167.08995	5.5
167.10928	1.1
171.07845	1.5
171.11636	4.1
181.12218	68.5
183.11592	1.2
184.09610	3.2
185.10030	24.5
185.13171	1.8
195.06506	15.9
195.12140	1.0
195.13828	7.4
198.10399	1.3
213.05492	2.4
213.07458	2.0
213.09523	21.1
213.12714	6.4
213.14590	2.6
213.16382	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	213.1118
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03937	1.6
55.01853	1.8
55.05505	12.2
57.03423	1.1
57.07077	3.3
58.41565	0.5
58.86158	0.4
59.04985	1.0
65.03907	0.5
65.62086	0.4
67.05501	7.8
69.03424	2.7
69.07059	11.9
69.91005	3.6
70.06571	1.5
71.04986	2.8
71.08608	1.2
77.03912	0.8
77.66898	0.4
78.04700	2.1
79.05485	13.5
81.03400	1.1
81.07050	17.3
83.04971	2.2
83.08611	9.1
85.02876	0.9
85.06528	3.3
86.09683	1.5
88.07619	1.6
89.86627	0.5
91.05471	7.0
93.07033	15.5
94.06558	0.8
95.04960	4.1
95.08595	24.9
97.06533	2.8
97.10159	4.9
98.97539	1.0
99.08071	1.8
103.05462	7.3
105.04485	1.0
105.07014	6.6
106.04170	0.9
107.04942	52.7
107.08581	20.0
109.02844	0.7
109.06483	1.8
109.10143	10.6
111.04440	1.1
111.08058	2.8
111.11714	1.4
115.05434	3.8
115.07570	0.5
116.98603	1.1
117.06992	2.5
119.06037	1.4
119.08582	1.4
120.05683	1.5
120.06435	0.8
121.06493	1.5
121.10131	22.2
122.03558	0.6
123.04418	5.5
123.08124	0.7
123.11701	4.2
124.05214	3.3
125.05980	1.7
125.09590	2.8
127.03879	1.3
128.06221	0.8
129.07005	0.9
131.04897	1.9
131.08528	0.6
133.06479	0.9
133.10123	1.1
135.04449	0.6
135.08043	14.6
135.09065	0.8
135.11668	8.8
137.05997	0.7
137.09651	0.7
137.13246	3.4
139.03958	0.6
139.07510	1.1
139.11208	3.0
140.04674	1.7
141.07359	1.1
142.07765	1.3
145.07590	1.0
147.04401	1.4
149.05962	1.1
149.09621	1.9
149.13266	4.5
151.03867	1.8
151.14810	1.6
152.04662	2.1
152.06171	0.8
153.09061	1.0
153.12744	1.3
154.06264	2.3
154.07384	0.5
155.07045	1.0
157.10123	1.0
157.12247	0.5
159.11635	0.9
163.03920	1.1
163.07530	27.5
165.05473	1.1
165.16389	2.0
167.07024	100.0
167.08566	3.4
168.07387	1.0
170.88524	0.4
177.09114	0.7
177.12822	0.8
177.16373	24.8
180.07799	3.7
181.08597	0.8
183.17393	0.6
184.05193	1.3
184.09735	0.9
185.05931	1.2
185.09950	8.2
188.47920	0.5
195.06541	4.6
195.08148	2.0
195.10139	20.3
195.13805	1.5
195.17436	5.5
198.06848	0.6
213.05557	3.9
213.09265	11.0
213.11417	4.1
213.18449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0907
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
55.01872	1.1
55.05497	0.9
57.05190	0.4
65.03926	1.7
65.36617	0.3
65.85912	0.3
66.02966	0.3
67.05504	0.7
69.03416	1.3
69.07060	0.7
70.06581	0.6
71.04999	0.4
71.30519	0.7
72.08170	0.4
74.06042	0.4
79.05482	1.5
81.03399	0.5
81.07069	0.9
83.04984	0.6
86.09692	0.5
88.07613	1.1
91.05466	81.3
93.07044	0.9
94.46978	0.3
95.04951	4.3
95.08634	0.6
97.02908	0.5
97.06516	0.6
98.05959	0.4
98.97590	0.4
105.03378	1.0
107.04937	10.7
107.08611	0.8
111.04452	0.6
115.95341	0.4
119.04926	100.0
120.05740	8.3
121.02843	1.9
121.06441	0.4
121.10098	0.7
124.17778	0.4
125.05946	1.0
127.03921	0.5
128.06168	0.6
129.07011	0.4
135.04430	1.0
139.04033	0.5
140.04691	1.2
140.07028	0.7
141.07347	1.5
142.07706	0.5
142.49149	0.5
143.08575	0.4
144.05669	0.8
145.06418	0.4
148.97339	1.4
149.13185	0.4
151.03865	1.7
151.07492	0.4
152.06161	5.1
152.07129	0.5
153.05434	0.7
155.06995	1.1
157.06500	1.8
157.10098	0.4
163.03853	0.9
165.05641	0.5
165.06969	5.5
166.07687	1.7
167.07037	1.2
167.08533	8.2
167.10083	0.6
169.06467	1.2
170.07263	0.7
171.08037	0.4
176.06177	2.2
177.05525	0.7
177.06953	5.0
178.07736	0.5
181.06432	1.0
183.08118	0.4
184.09738	0.8
185.09970	6.5
189.97539	0.6
194.07243	1.2
195.06467	4.8
195.08040	5.9
196.36931	0.4
198.06725	1.4
207.98662	0.4
213.09122	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	1.8
55.05500	2.5
55.93500	0.3
57.03426	0.4
59.04995	0.6
63.00033	0.9
65.03924	0.8
67.05490	3.1
68.99769	0.3
69.03417	1.0
69.07047	1.2
70.06580	0.5
71.04986	3.0
72.93763	0.5
77.03907	0.4
78.04704	1.8
79.05479	8.5
81.03397	0.5
81.07043	3.7
83.04969	2.6
83.08604	1.8
85.02885	0.5
85.06539	0.9
87.04437	0.6
88.07617	0.7
89.06019	0.5
91.05466	4.9
92.07105	0.3
93.07019	2.8
94.04196	0.4
95.04958	3.4
95.08589	1.4
97.06519	3.9
97.10122	1.6
99.04444	0.7
99.08090	0.5
103.05449	6.8
105.07011	6.3
106.04163	1.2
107.04939	53.6
107.08565	3.3
108.05275	0.5
109.06510	1.3
109.10127	0.9
111.04415	0.7
111.08057	0.9
115.05454	3.2
117.06977	2.2
119.04954	0.7
120.05724	1.8
121.06498	1.7
121.10123	1.4
122.03604	0.4
123.04413	5.5
123.08060	0.4
124.05215	3.2
125.05968	1.2
125.09633	1.8
127.03918	1.2
127.05360	0.3
129.06935	0.4
131.04922	2.0
131.08546	0.8
133.06462	0.7
133.10101	0.9
134.03662	0.4
135.04398	0.5
135.08029	15.7
135.11684	0.9
137.05972	1.0
139.03871	2.2
139.07539	0.4
139.11240	0.3
140.04636	1.2
141.07436	0.6
145.07591	0.7
147.04401	1.2
148.05165	0.4
149.05988	0.8
149.09615	0.7
149.13222	1.0
151.03909	2.0
152.04613	2.0
153.01884	0.7
153.09006	0.4
154.06247	2.2
154.74980	0.3
155.06993	1.1
157.06505	0.6
159.11670	0.8
163.07524	29.9
164.08049	0.4
165.05481	1.1
167.07016	100.0
167.14291	1.1
168.07373	1.0
175.58517	0.3
177.09113	0.6
177.12706	0.6
180.07773	2.9
181.08575	0.6
184.09608	0.4
185.10007	4.2
195.06514	2.8
195.10133	19.6
195.13759	2.6
212.98428	0.4
213.05495	1.7
213.07362	0.5
213.09335	3.8
213.11215	4.8
213.14633	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	213.0755
Annotation	Gelsemide
Peak:m/z	Relative Intensity
53.03939	1.1
55.01853	2.0
55.05495	0.7
55.38190	0.5
57.03430	7.4
57.03687	1.0
57.07069	0.6
60.86132	0.5
65.03931	0.7
68.99779	1.4
69.07053	0.9
70.06577	0.6
70.13544	0.4
71.04993	0.7
71.81260	0.9
77.37423	0.5
79.05476	1.2
81.03394	0.6
81.07023	1.5
83.01327	3.3
83.04974	0.8
83.08640	0.5
85.06547	0.5
88.07619	2.4
91.05473	5.2
93.03392	2.5
93.07021	6.8
95.04934	2.2
99.04432	1.6
103.05464	2.6
103.66213	0.5
105.04482	0.5
105.06992	0.6
107.04942	1.9
109.02867	12.4
111.04432	0.6
111.08049	0.7
121.06483	14.1
121.10130	0.6
129.35197	0.5
131.04921	1.5
135.04401	1.9
139.07487	0.7
140.04713	0.8
141.07346	1.5
142.07758	1.0
143.08592	1.7
146.52518	0.4
149.05969	18.6
151.03835	0.5
153.05446	10.1
155.07034	0.6
157.10155	1.4
159.04402	1.8
164.04678	5.5
167.07037	7.8
167.08995	2.6
171.07967	1.2
171.11674	1.0
177.05449	71.4
178.05803	1.5
183.08064	0.6
185.10004	8.9
185.13354	1.1
195.06516	40.9
196.06741	0.8
198.10318	1.0
213.07558	100.0
213.09367	7.0
213.12782	5.8
213.16379	2.0
214.07870	1.7
214.21609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0755
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03931	1.0
55.01854	2.2
55.05501	4.9
57.03419	1.4
57.07072	1.0
59.04993	70.2
61.28630	0.9
67.01858	2.4
67.05481	2.3
68.99780	2.7
69.03409	4.2
69.07049	2.6
69.66168	0.9
70.06582	1.5
70.41746	3.2
71.04977	2.4
72.08144	1.4
79.05487	4.9
80.91615	0.8
81.03402	1.9
81.07039	3.6
82.61983	0.8
83.04959	3.2
83.08598	1.8
85.02893	0.8
85.06512	2.0
86.09674	1.0
87.04459	36.1
88.04837	0.9
88.07605	2.8
91.05478	5.1
93.07009	7.7
95.04967	3.3
95.08585	4.0
97.02895	0.9
97.06526	1.9
99.04426	3.7
103.05454	1.8
105.05487	2.5
105.07026	2.7
107.04945	18.2
107.08565	3.3
109.02874	1.3
109.06472	1.9
109.10130	1.2
110.03764	1.1
111.00759	2.1
111.04425	3.6
111.08095	2.3
115.05427	1.2
117.06960	1.2
119.04983	1.7
119.08549	1.3
120.05668	1.4
121.06494	1.7
121.10157	1.1
121.34048	0.8
123.04416	2.5
125.05947	1.9
125.09612	1.1
127.03902	89.7
128.06160	0.9
131.08510	1.1
135.04375	1.0
135.08061	5.7
135.11678	1.8
136.36899	0.8
137.05962	3.5
137.09589	1.6
139.03888	28.6
139.07564	1.3
140.04710	2.9
149.05865	0.9
149.09599	1.9
149.13252	1.2
151.03864	1.7
152.04626	1.2
153.01813	100.0
153.09114	1.1
155.07048	2.7
157.10069	1.1
159.11668	1.2
163.03934	1.8
163.07507	7.7
165.05437	3.0
167.07028	57.2
167.08569	1.8
171.02953	0.9
176.48444	0.8
177.05505	2.0
177.09146	1.6
177.12802	1.8
180.07851	1.2
185.05873	1.1
185.09988	5.8
195.06505	34.0
195.10211	8.2
195.13757	1.8
196.06837	1.1
202.54453	0.8
213.05420	3.3
213.07487	5.8
213.09348	7.1
213.11223	3.1
213.12939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.15211	0.7
53.03930	1.4
54.40932	0.9
54.98605	0.8
55.01859	1.4
55.05249	1.2
55.05501	18.2
57.03428	7.7
57.07068	5.4
59.04989	1.2
67.05158	1.7
67.05497	24.2
69.03407	3.4
69.07056	13.9
69.80336	5.6
71.04984	7.1
71.08614	1.8
73.06538	0.9
79.05482	7.2
81.03390	1.0
81.07045	30.9
83.04525	1.0
83.04975	11.1
83.08602	13.4
83.87239	0.8
85.06523	6.3
87.08060	1.0
87.82164	0.8
87.99535	0.8
91.05460	7.2
93.07031	22.5
95.04953	4.1
95.08591	53.7
97.06519	10.0
97.10156	4.4
99.08057	3.4
105.07021	11.7
107.08578	28.5
109.06510	16.0
109.10140	100.0
110.10457	1.3
111.08064	43.4
113.05993	2.2
113.09668	1.0
119.08565	42.3
121.06483	1.4
121.10126	29.0
122.07302	1.2
123.04388	1.2
123.08054	45.4
123.11689	17.6
125.09599	7.0
127.07546	1.4
127.11171	3.3
131.08568	1.8
133.10109	43.1
135.11678	50.5
137.09599	99.6
137.13196	5.6
138.10413	8.0
139.11143	4.2
140.07048	1.0
145.10098	1.1
147.11699	9.7
149.09581	1.5
149.12114	1.5
149.13242	16.9
151.11191	5.7
151.14786	10.0
151.45670	0.7
153.12712	1.4
155.10635	0.9
163.11166	2.3
163.14780	1.0
165.12741	11.8
165.16376	4.9
166.08609	1.3
167.07002	3.0
167.10652	0.8
175.14803	68.9
178.13487	2.3
179.07008	4.2
184.09627	4.3
193.08633	1.3
193.12193	1.9
193.15849	44.9
205.89578	0.8
211.16902	41.6
212.09106	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.4
57.03425	1.5
57.07066	4.3
59.04983	2.0
67.05503	27.4
69.03423	10.0
69.07066	17.0
69.75497	10.7
69.75816	3.0
71.04986	7.8
72.90741	1.1
76.02148	1.2
79.05490	5.4
81.03415	1.3
81.07046	26.9
81.07489	2.3
83.04972	11.7
83.08608	11.8
85.06535	3.3
87.82932	1.1
91.05476	3.6
93.07040	12.8
95.04969	3.3
95.08595	50.6
97.06521	2.0
97.10146	2.3
98.20670	1.4
99.04443	10.0
99.08095	3.7
105.07021	8.2
107.08579	25.1
109.06508	12.8
109.10146	100.0
111.08091	3.1
113.09650	3.4
119.08569	25.8
121.10153	11.3
123.08044	17.0
123.11708	11.6
125.09624	3.7
131.08557	1.5
133.10110	21.6
133.11018	1.7
135.11681	66.6
137.09602	22.1
137.13287	1.3
139.11099	3.0
147.11647	2.8
147.33589	1.7
149.13226	7.0
151.11166	12.2
151.14784	11.1
153.12738	3.9
163.14784	2.9
165.16408	3.4
166.08556	1.3
175.14830	25.5
175.16356	1.2
177.73769	1.4
177.75681	1.3
179.07011	3.6
184.09680	5.0
192.26706	1.5
193.08511	1.2
193.15898	29.5
211.09592	1.7
211.16939	17.8
212.09247	4.4
234.32257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.1
57.03413	2.7
57.07063	3.4
59.04980	3.6
61.83958	0.9
63.86312	0.9
67.05499	20.3
69.03406	1.9
69.06741	1.2
69.07066	14.7
70.07392	6.5
71.04989	7.9
78.10661	1.0
79.05486	6.6
81.03411	3.1
81.07047	24.8
83.04958	3.9
83.08608	10.6
85.06523	6.8
91.05464	4.3
93.07030	17.0
95.04971	2.9
95.08593	100.0
96.08939	1.3
97.06517	4.0
97.10146	3.2
98.21423	1.4
99.04437	1.6
99.08080	2.1
101.06004	1.4
105.07020	7.6
107.08575	18.8
109.06489	3.7
109.10139	38.9
111.08061	5.4
112.57325	1.0
115.07578	6.5
117.67632	1.1
119.01917	1.1
119.07741	1.3
119.08573	16.7
121.06501	1.2
121.10120	12.1
123.08046	6.2
123.11688	11.6
125.09620	3.4
127.93738	0.9
131.08508	1.5
133.10107	15.6
135.11674	29.0
137.09587	15.5
137.13193	2.4
139.11198	4.9
140.07056	1.1
142.34970	0.9
145.83264	1.0
147.11642	4.3
149.09650	1.0
149.13220	6.2
151.11183	1.8
151.14777	1.8
153.12752	2.4
163.14801	18.6
165.12726	2.0
165.16365	3.6
166.08606	2.2
167.07077	3.2
175.14809	23.8
177.71570	0.9
179.06987	1.3
181.15839	4.6
184.09612	5.7
193.15871	24.5
211.05907	1.3
211.16904	61.4
211.79013	1.0
212.09126	4.6
212.17177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01854	3.2
55.05507	24.6
57.03418	7.0
57.07068	15.5
59.05013	4.8
67.05497	44.2
69.03411	5.7
69.07063	34.2
70.11378	4.5
70.11782	6.8
71.04992	16.3
71.08607	2.1
74.32087	2.2
74.54141	2.0
79.05476	12.4
81.03425	2.1
81.07050	61.5
83.04953	15.9
83.08605	15.1
85.02891	8.8
85.06531	16.1
89.26803	2.4
91.05482	14.2
93.07033	42.2
93.64240	1.9
95.04973	13.3
95.08595	100.0
97.06516	11.3
97.10149	7.7
99.04425	4.6
99.08097	2.1
105.07027	25.4
107.08586	55.3
109.06509	20.0
109.10136	66.2
111.08084	13.0
111.11687	4.0
113.05964	5.4
119.08568	63.7
119.09433	3.9
121.10115	16.0
123.08044	14.5
123.11691	41.6
125.09636	8.8
133.10120	24.6
135.11679	70.8
137.09608	23.5
139.11150	4.7
147.11665	7.6
149.13210	14.6
151.11182	6.1
151.14832	11.0
153.12761	8.4
155.10669	3.6
163.14845	4.2
165.16420	3.5
175.14804	40.7
193.15866	25.7
211.16919	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	211.1689
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01873	4.6
55.05503	27.9
57.03424	6.1
57.07056	18.7
59.04979	10.5
67.05195	4.0
67.05500	50.1
69.03413	8.1
69.07055	39.4
69.64626	31.8
71.04980	20.1
79.05492	17.2
79.37894	2.9
81.03387	5.3
81.07048	57.1
83.04965	15.6
83.08588	14.3
85.02859	6.6
85.06522	18.5
91.05453	13.6
93.07034	53.6
95.04953	12.9
95.08008	5.7
95.08593	100.0
97.06525	16.1
97.10156	5.1
98.66914	3.7
99.08092	4.6
105.07003	26.7
107.08573	51.5
109.06540	18.6
109.10133	52.1
111.08064	12.7
111.11771	4.6
113.05990	3.8
119.07743	5.4
119.08562	82.4
121.10120	14.0
123.08057	13.2
123.11691	46.2
125.09583	10.3
131.08516	3.6
133.10132	29.9
135.11668	74.5
137.09589	22.8
139.11241	4.4
147.11671	7.5
149.13248	14.1
151.11157	5.9
151.14775	13.2
153.12721	5.9
155.10651	10.9
166.08650	5.5
175.14764	52.5
179.06984	3.9
184.09625	10.9
193.15881	28.3
211.16902	46.5
212.09097	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	6.9
55.05504	42.1
56.96556	3.6
57.03430	13.2
57.07073	5.9
59.05011	1.8
61.76817	0.9
65.03935	4.1
67.01844	1.0
67.05496	49.2
68.09910	1.0
68.99786	8.8
69.03424	13.1
69.07059	25.2
70.06578	1.4
71.04980	10.0
71.08607	1.5
71.81466	1.7
73.06540	1.7
75.04478	4.9
79.05017	1.8
79.05482	35.8
81.03410	100.0
81.07046	65.3
81.07537	1.9
83.01339	3.5
83.04971	51.5
83.08611	40.8
84.96008	1.5
85.02917	3.1
85.06533	33.0
85.07037	2.0
86.20346	1.2
91.05467	38.5
93.07034	26.1
95.04958	56.2
95.08597	39.6
97.02877	6.3
97.06517	8.3
97.10170	10.9
99.04468	5.0
99.08087	5.6
103.05437	1.9
105.04486	1.0
105.07018	32.9
107.04956	8.2
107.08587	18.8
109.02917	1.5
109.06506	29.1
109.10139	21.1
111.00800	1.5
111.04434	4.7
111.08076	17.1
111.11671	1.3
112.07590	1.7
113.05991	3.8
115.05460	2.0
116.00266	1.4
117.07016	3.1
119.04958	2.5
119.08571	30.4
121.06493	5.8
121.10130	11.6
123.04420	23.3
123.08051	17.5
123.11694	43.3
125.05942	3.0
125.09595	7.3
127.03903	4.6
127.07537	15.0
128.06223	1.2
129.06975	11.2
131.08554	13.4
133.06471	4.8
133.10121	20.9
135.11705	6.2
136.07544	1.5
137.05963	8.0
137.09610	18.8
137.13187	1.8
139.03864	6.2
139.07466	5.8
140.07024	8.4
141.05539	1.2
141.06932	1.8
142.07771	3.2
142.08705	2.0
145.10109	2.2
147.08101	7.5
147.11685	18.5
147.12791	0.8
149.05975	2.8
149.09604	9.9
151.03918	8.2
151.07533	10.6
151.11156	7.3
151.14874	1.5
153.05519	2.2
155.03378	7.4
155.07152	1.1
155.08548	2.9
157.10104	18.0
164.04715	2.2
165.05473	3.1
165.06929	1.5
165.09099	25.1
165.10425	1.8
165.12729	6.4
166.08632	15.1
167.07030	13.9
167.08386	2.0
167.10652	2.8
169.04967	1.8
169.08597	3.5
169.10065	2.3
169.12212	2.4
175.07552	5.9
175.11171	23.9
175.14841	6.0
179.07024	3.4
179.10645	16.9
183.11642	2.2
184.09668	42.3
190.70287	1.2
193.08591	78.9
193.12216	59.9
193.15897	4.8
194.09032	1.2
196.12350	1.3
211.05873	1.6
211.07669	4.5
211.09657	40.5
211.13115	33.1
211.14799	4.0
211.16881	2.7
212.09149	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.46299	1.0
52.83045	1.1
53.03929	5.0
55.01865	7.0
55.05505	49.2
55.43672	1.1
56.96560	1.6
57.03430	13.5
57.07054	3.9
59.04984	1.7
65.03923	2.6
67.05499	37.9
69.03418	11.9
69.07059	19.9
70.16352	6.3
71.04981	11.2
73.33268	1.2
77.36458	1.1
79.05485	35.5
81.03408	100.0
81.07047	50.5
83.04972	48.4
83.05484	2.1
83.08609	41.7
85.02887	2.9
85.06541	6.6
91.04929	2.1
91.05476	33.7
93.07030	27.8
95.04958	36.2
95.08598	33.5
97.02861	3.0
97.06520	10.0
97.10159	9.6
99.04457	2.9
99.08086	7.1
103.05449	1.7
105.03421	1.2
105.06333	1.8
105.07020	29.2
107.04955	6.7
107.08585	21.7
109.06512	13.0
109.10147	35.5
109.36446	1.0
111.04385	2.6
111.08066	26.7
113.05985	1.7
115.05364	1.5
117.07037	2.6
118.58209	1.0
119.04919	1.4
119.07735	2.2
119.08563	34.1
119.09417	2.2
121.06489	2.8
121.10128	17.6
123.04430	4.0
123.07156	1.2
123.08058	19.1
123.11710	10.3
125.09627	5.9
125.10395	1.2
127.07527	3.2
127.11150	1.2
129.06990	13.5
131.08560	14.3
133.06470	4.5
133.10110	28.0
135.08052	1.1
135.11684	20.4
137.06047	1.5
137.09596	32.3
137.10654	1.6
137.13217	2.7
138.10344	2.8
139.03868	3.0
139.11147	1.6
140.07028	3.1
142.07745	2.9
145.10062	1.4
147.08020	4.4
147.10558	2.2
147.11658	20.8
149.05965	3.1
149.09595	8.8
149.13174	5.4
151.03882	2.4
151.07529	2.2
151.11198	2.7
151.14799	2.5
155.03372	4.2
157.10095	18.1
165.12729	7.1
165.16331	2.1
166.08626	3.9
167.07011	8.6
167.10680	2.7
169.04955	1.4
169.10115	2.0
175.11165	22.2
175.14792	23.0
179.06990	4.4
181.08485	1.4
184.09686	12.0
191.92761	1.2
193.08557	3.1
193.12228	56.4
193.15849	17.4
211.07700	2.4
211.09631	9.3
211.13254	32.4
211.16785	15.6
212.09123	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.29451	1.6
53.03931	7.1
55.01859	7.4
55.05505	20.9
56.96548	5.6
57.03430	71.5
57.07059	3.4
65.03916	5.3
67.05497	36.0
69.03419	4.8
69.07058	15.0
69.84075	2.1
71.04985	11.8
71.40382	4.4
74.76521	1.5
75.04448	2.2
79.05483	41.4
81.03406	25.4
81.07048	44.2
83.04967	14.6
83.08608	9.3
85.06542	6.4
88.07065	2.1
91.05470	100.0
93.07035	49.7
95.04959	29.3
95.08605	22.7
97.02858	1.8
97.06506	10.9
97.10149	4.4
99.08075	3.2
103.05450	3.8
105.07021	21.2
107.04951	13.3
107.08576	20.7
109.06519	28.0
109.10145	16.4
111.08075	5.2
113.05974	2.6
115.05436	6.0
117.07020	17.0
119.04898	1.8
119.08574	37.9
120.05703	4.1
121.06499	7.8
121.10153	11.0
122.07227	3.8
123.08066	12.8
123.11697	4.8
125.05989	2.4
125.09639	6.2
125.69620	1.8
128.06201	2.9
129.06969	8.9
131.08565	8.6
131.12732	1.6
133.06465	3.1
133.10127	7.1
135.08035	3.2
135.11734	2.6
137.05956	3.3
137.09612	10.7
137.13225	4.9
139.11180	3.1
140.07054	7.5
147.08025	4.5
147.11667	11.9
149.09592	6.5
149.13223	3.5
151.07498	4.5
157.10112	6.3
159.11761	2.0
165.12746	7.2
166.08618	13.0
167.10637	7.8
169.10037	1.9
169.12334	2.1
175.11208	8.6
175.14833	4.1
177.12724	2.3
184.09683	39.7
193.08575	3.7
193.12219	18.3
211.09633	6.1
211.13176	22.9
211.14799	3.2
211.16977	2.6
212.09157	27.4
226.68578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01889	2.3
55.05506	6.0
56.96569	1.5
57.03429	5.3
57.07068	2.5
59.05005	1.2
65.03953	1.6
67.05499	20.9
68.99787	8.2
69.03443	1.8
69.07061	3.1
69.31108	0.5
69.87891	3.3
70.12038	0.5
71.04994	2.8
76.45825	0.5
79.05495	4.6
81.03418	6.0
81.07053	17.7
83.01359	2.1
83.04972	3.9
83.08615	3.5
85.02914	1.6
85.06537	36.8
91.05476	5.7
93.07026	4.6
94.06563	0.5
95.04966	5.4
95.08601	11.5
97.02956	0.7
97.06543	1.5
97.10171	0.9
98.06063	0.5
99.04466	0.7
99.08101	2.3
105.07027	5.9
107.04949	1.1
107.08591	6.2
109.06509	25.2
109.10139	5.0
111.00824	2.3
111.04446	1.2
111.08095	1.7
113.05986	4.0
116.00218	1.0
117.07009	0.6
119.08574	7.3
121.06532	1.9
121.10169	2.0
123.04423	28.2
123.08057	17.7
123.11727	2.4
125.06053	0.9
125.09609	6.1
127.03889	4.0
127.07548	18.2
129.06999	1.4
131.08536	1.0
133.06496	1.5
133.10147	2.2
135.11697	1.8
137.05978	7.5
137.09616	4.1
137.13240	0.6
139.03905	7.2
139.11157	0.7
140.07048	2.8
142.08641	0.8
147.08064	4.1
147.11696	2.4
147.58423	0.6
149.05991	2.2
149.09676	0.9
149.13171	0.6
150.06812	0.6
151.03897	6.1
151.07552	7.0
151.11206	1.6
151.14888	1.0
153.05486	2.0
155.03363	6.3
157.10104	1.1
160.05118	0.8
163.03903	0.8
164.04713	3.2
165.05478	3.0
165.09103	34.2
165.12775	0.9
165.16365	1.0
166.08569	5.2
167.07048	3.3
167.10669	0.7
169.08582	4.3
169.10011	1.2
175.07535	7.7
175.11159	1.6
175.14830	2.3
178.06261	1.5
179.07047	0.8
183.06540	0.6
183.11636	0.7
184.09682	15.1
184.70399	0.5
193.08592	100.0
193.12143	4.1
193.15877	1.8
194.08887	1.7
196.12404	0.6
211.09627	48.9
211.13153	2.5
211.14873	1.3
211.16930	1.9
212.09126	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.80108	1.3
53.03930	3.6
54.66954	1.1
55.01872	6.2
55.05505	39.8
57.03431	12.8
57.07060	3.0
59.04989	2.3
64.34666	1.0
65.03925	1.5
65.13177	1.0
67.05499	35.7
69.03426	9.2
69.07061	13.6
70.27000	4.3
71.04988	6.6
74.18207	1.1
74.22359	1.1
76.56934	1.0
79.05488	31.6
81.03410	100.0
81.07047	42.0
83.04968	56.3
83.08608	35.5
85.02890	2.6
85.06533	5.3
91.04917	2.0
91.05470	33.8
93.07029	20.6
95.04955	37.9
95.08593	26.2
97.02882	3.5
97.06512	7.5
97.07005	0.9
97.10137	8.0
99.04457	2.5
99.08064	4.2
105.07024	27.8
107.04950	7.0
107.08587	12.6
109.06493	7.9
109.10137	11.3
111.04430	3.4
111.08066	19.5
113.05985	2.5
115.05461	2.2
117.06997	2.1
119.04929	2.1
119.08566	23.5
121.06496	1.7
121.10135	10.3
123.04375	4.2
123.08022	7.8
123.11669	4.3
125.09625	5.5
129.07001	12.7
131.08553	11.9
131.90839	1.1
133.06468	2.2
133.10110	15.3
135.11653	5.3
136.28482	1.3
137.05939	1.5
137.09608	5.5
137.13232	1.4
140.07063	3.2
142.07732	3.1
145.10083	1.6
147.08052	4.3
147.11679	18.3
148.70197	1.0
149.09587	8.0
149.13252	1.8
151.04028	1.1
151.07570	3.0
151.11189	2.5
151.14751	1.2
155.03430	2.1
155.08543	1.9
157.10112	20.2
165.09081	2.8
165.12727	5.4
166.08649	3.6
167.06998	5.5
167.10677	3.9
169.10095	1.7
175.11157	22.9
175.14784	3.3
179.07039	3.4
181.10048	1.9
183.11632	1.2
184.09673	13.6
193.04903	1.0
193.08562	4.0
193.12222	58.7
193.15942	2.7
196.12445	1.9
211.07634	2.2
211.09618	4.4
211.13202	26.7
211.14828	3.1
211.16911	4.2
212.09154	10.9
212.19347	1.2
214.76541	1.2
231.34837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Cladobotrin IV
Peak:m/z	Relative Intensity
55.01865	1.3
55.05501	4.0
57.03429	4.5
57.07062	4.0
59.55229	0.6
61.57688	0.6
65.03919	3.4
67.05493	40.6
68.99783	3.9
69.03418	1.7
69.07062	1.1
69.83898	3.1
69.84323	1.5
71.04977	1.1
72.29790	0.5
79.05083	0.6
79.05473	3.7
81.03407	1.5
81.07043	13.1
83.04965	1.9
83.08617	1.3
85.02914	1.0
85.06528	90.0
86.06840	0.7
91.05467	2.7
93.07023	1.4
95.04943	2.1
95.08592	2.9
97.06535	1.2
98.21416	1.2
99.04423	0.5
99.08073	4.3
105.07019	2.6
107.04901	0.9
107.08570	3.0
109.02779	0.6
109.06499	30.6
109.10155	1.5
109.18695	0.6
111.00768	0.9
111.04423	0.8
111.08101	0.8
111.88876	0.5
119.04926	1.0
119.08573	2.6
119.91187	0.6
120.47657	0.5
121.06516	1.1
121.10113	0.8
123.04409	40.4
123.08055	13.3
123.11677	0.8
124.04761	0.7
125.09627	7.0
126.76266	0.5
127.03894	10.4
127.07531	39.8
128.07896	0.6
129.06984	1.4
133.06447	0.9
133.10132	1.1
133.81955	0.6
135.11678	1.3
137.05966	6.1
137.09601	1.6
139.03879	9.9
147.08023	2.2
147.11667	0.9
149.05972	3.4
151.03891	6.2
151.07512	9.2
153.05438	3.6
155.03377	12.2
157.10095	0.7
160.05205	1.8
163.03839	1.3
164.04631	4.9
165.05469	2.2
165.09085	17.8
165.10422	1.2
167.07025	4.3
169.04846	0.6
169.08574	7.2
175.07521	9.3
175.14825	0.9
179.07008	5.2
184.09669	1.4
193.08575	100.0
194.08882	1.9
211.09616	67.4
212.09203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
50.70851	0.3
55.05518	0.4
57.07063	5.2
59.04986	1.7
65.03912	0.5
67.01836	1.9
67.05492	3.1
68.99780	1.7
69.03410	0.5
70.65215	0.3
71.01334	0.4
71.03780	0.9
74.27931	0.4
79.05493	0.6
81.03400	0.8
81.07037	0.8
83.04970	0.6
85.02882	0.6
85.06525	2.9
88.60571	0.4
95.04945	2.4
95.08569	0.6
96.98797	0.4
109.02872	1.0
109.06504	0.9
111.00816	0.5
111.04395	0.5
123.04413	24.9
123.07990	0.5
127.03892	6.3
127.07520	1.2
135.61433	0.4
137.05962	1.6
139.03883	22.8
140.80568	0.4
141.57492	0.4
151.03880	36.3
152.04234	0.5
153.01790	4.0
153.05428	3.1
155.03366	100.0
156.03690	1.0
165.05440	2.2
165.09074	3.1
167.07011	0.9
169.04926	7.1
175.07555	1.1
178.06174	0.5
192.56421	0.4
193.06808	0.8
193.08562	14.9
211.09622	96.2
212.09898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03943	2.3
55.01861	0.9
55.05494	1.7
57.03425	1.5
57.07058	0.6
65.03924	0.5
67.05488	4.4
68.99788	1.2
69.03414	1.5
69.07048	1.6
71.04992	2.6
71.30765	0.8
79.05492	2.2
79.54206	0.4
81.03410	1.7
81.07050	4.0
83.01328	11.3
83.04955	2.0
83.08606	1.5
85.06531	4.5
91.05470	3.8
93.07007	1.7
95.04953	7.5
95.08597	2.7
97.02866	0.6
97.06526	0.8
99.04414	0.8
105.07009	1.7
107.04927	0.9
107.08591	1.2
109.06502	4.8
109.10146	1.1
111.08056	0.9
113.05993	30.4
117.06995	0.7
119.04865	0.4
119.08559	3.8
121.06503	0.7
121.10130	0.9
123.04431	2.6
123.08052	4.8
124.05174	1.2
125.05985	1.2
125.09602	2.5
127.07579	1.0
127.75961	0.4
129.06995	1.8
132.05713	1.1
135.04343	0.4
135.11705	0.5
137.05960	24.3
137.09592	1.7
140.04707	0.7
141.05481	2.3
147.08015	5.6
147.11642	1.7
149.05927	0.6
150.06735	2.3
151.07524	4.0
153.05409	0.8
155.06998	2.6
157.06464	0.9
160.05193	1.8
165.09097	38.5
166.08560	0.7
167.07051	2.6
169.08614	2.5
175.07516	18.5
177.05463	0.5
178.06226	6.1
179.06935	0.5
184.09692	2.8
193.08582	100.0
194.08940	1.2
205.55942	0.5
211.09625	51.0
212.09322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01876	0.7
55.05501	0.7
67.05499	1.3
68.99790	2.1
69.07069	0.8
71.04957	0.6
71.18020	0.9
79.05481	0.7
80.59122	0.5
81.03402	1.1
81.07050	1.5
83.04970	1.4
91.05466	3.6
93.07034	1.4
95.04328	0.5
95.04943	1.8
95.08595	1.6
99.08105	0.9
103.05461	0.7
105.07020	10.6
107.08573	1.2
109.06527	0.7
109.10136	0.7
117.06998	0.9
119.04913	2.2
119.08546	4.5
123.04386	3.7
123.08017	0.5
125.06002	0.5
128.06252	0.7
129.06978	10.6
129.09041	0.6
131.08490	0.6
132.05727	0.7
133.06496	0.7
133.10133	0.9
135.11635	1.1
137.05943	2.1
137.09605	1.0
147.08038	8.6
147.11823	0.6
149.05942	3.0
151.03909	5.2
151.07492	0.7
157.06511	2.7
160.05177	13.0
163.07494	0.9
165.09134	1.5
167.03362	0.9
167.07001	0.6
169.04916	1.6
175.07526	100.0
176.07870	2.4
179.07019	0.7
184.09668	1.9
193.08577	54.2
194.08992	0.8
211.09628	30.1
211.13005	1.1
212.09348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
54.96846	0.3
55.01860	1.2
55.05495	1.7
55.41551	0.3
57.07052	0.5
67.05492	2.1
68.99786	2.2
69.03418	0.4
69.07051	0.8
70.92610	1.0
71.04978	0.8
79.05476	0.9
81.03439	0.3
81.07021	1.8
83.04974	0.7
83.08588	0.3
85.06539	1.2
88.85387	0.3
91.05453	2.4
93.07033	1.5
93.18339	0.3
95.04951	4.5
95.08607	2.6
97.06538	0.6
99.04417	0.4
99.08086	3.5
103.05474	0.4
105.07014	8.9
107.04935	0.8
107.08596	1.8
109.06510	1.2
109.10132	2.1
112.98583	0.3
115.05400	0.4
117.07017	0.7
119.04959	1.7
119.08564	4.4
121.06490	0.8
121.10172	0.4
123.04408	7.2
123.08044	0.6
123.11707	0.4
127.03873	0.3
128.06218	0.6
129.06981	8.1
131.08577	1.2
132.05670	0.7
133.06438	0.6
133.10092	4.1
135.04385	0.5
135.11652	1.1
137.02336	2.4
137.05952	4.4
137.09589	2.5
147.04424	0.6
147.08025	7.7
147.11690	0.6
149.05946	2.7
149.13174	0.4
151.03909	1.3
151.07512	1.3
151.11192	0.7
155.03326	0.4
155.10631	0.9
157.06479	1.9
160.05173	9.4
163.03856	2.6
163.07512	0.6
164.04665	0.9
164.79364	0.4
165.05464	0.4
165.09088	2.0
166.08557	0.3
167.06998	0.7
175.07520	51.8
175.14789	1.1
176.07848	0.8
177.05359	0.4
178.06215	1.1
181.04948	1.1
184.09656	1.3
193.08574	100.0
193.15746	1.9
194.08902	1.5
211.09616	22.1
211.16753	1.4
212.09193	0.5
227.00444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
51.02365	1.0
51.07963	0.6
55.01855	3.3
55.05497	10.4
55.35908	0.7
56.96559	5.3
57.03425	20.5
57.07064	6.6
59.04969	2.2
65.03925	2.1
67.01864	1.1
67.05492	37.2
68.99768	5.3
69.03416	3.6
69.07054	9.0
70.06557	1.5
71.01328	0.8
71.04983	4.6
71.08595	0.9
71.79321	1.1
79.05480	13.8
80.31627	0.7
81.03409	10.2
81.07044	32.5
83.01302	1.0
83.04961	6.4
83.08610	6.6
84.08121	1.7
84.96000	1.2
85.02892	12.1
85.06529	50.6
86.09684	0.9
87.90283	0.7
91.05470	10.6
93.07029	15.9
95.04942	11.4
95.08591	21.6
96.08151	1.0
97.02865	0.8
97.06522	7.5
97.10124	1.8
97.99166	1.1
98.06008	1.4
99.04421	1.5
99.08072	6.2
103.05448	1.1
105.07011	12.8
107.04941	1.8
107.08575	12.1
109.02824	1.7
109.06499	20.6
109.10144	9.7
111.00759	1.1
111.04411	1.9
111.08051	3.4
112.07571	1.6
113.05974	3.4
116.00172	2.1
117.07011	1.5
119.04932	1.1
119.08575	10.5
121.06518	1.7
121.10138	9.9
123.04411	40.0
123.08051	13.8
123.11676	6.3
123.24337	0.7
125.05971	4.1
125.09605	9.3
127.03887	11.1
127.07533	24.2
128.06152	0.7
129.06952	2.2
131.08539	2.6
133.06476	1.3
133.10081	3.9
135.07976	1.1
135.11674	2.5
137.05963	6.1
137.09599	3.8
137.13213	5.8
139.03882	21.3
139.11183	3.6
140.07086	5.6
141.06842	0.7
141.09048	1.0
142.08630	1.6
147.08057	4.4
147.11656	9.6
149.05899	1.8
149.09572	3.6
149.13248	1.2
151.03882	30.2
151.07512	8.9
151.11134	1.9
151.14865	0.9
152.06976	0.7
153.01807	2.3
153.05415	4.4
153.09074	1.5
155.03368	73.8
155.08456	1.6
156.03705	0.8
157.10097	2.9
160.05104	1.0
164.04605	3.1
165.05502	3.5
165.09091	14.1
165.12753	5.0
166.08606	8.8
167.06985	3.4
167.10645	9.0
169.04967	5.0
169.08575	3.8
169.10086	5.4
169.12201	5.5
170.10843	1.3
175.07513	6.3
175.11142	6.4
175.14825	2.6
181.10104	2.0
183.11690	1.7
184.09665	33.1
193.08577	58.1
193.12195	14.2
193.15787	2.4
194.08817	1.0
196.12448	2.6
211.09610	100.0
211.13206	20.7
211.14857	7.3
212.09114	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	211.0963
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03939	2.9
55.01875	1.2
55.05502	3.8
56.96563	1.9
57.03429	10.7
57.07076	1.5
61.42628	0.5
65.03948	0.8
67.05492	8.4
68.99791	1.0
69.03434	1.5
69.07068	4.0
69.18995	0.5
70.23300	0.9
70.23737	1.8
71.04982	4.6
77.03952	0.5
79.05482	5.5
81.02965	0.7
81.03401	3.3
81.07048	7.3
83.01326	10.0
83.04974	3.3
83.08618	1.5
83.86420	0.4
85.02913	0.6
85.06529	5.5
91.05465	14.5
93.07034	6.6
93.07578	0.6
95.04963	9.4
95.08588	6.0
97.06532	2.5
97.10180	0.9
99.04458	0.8
99.08088	0.6
100.96719	0.4
103.05458	0.6
105.03374	0.6
105.07022	4.4
107.04954	1.6
107.08581	3.7
109.06509	8.0
109.10134	3.7
111.04466	0.5
111.08084	1.5
113.05991	32.0
117.06999	2.9
119.04898	0.6
119.08576	9.0
121.06509	1.6
121.10136	2.2
123.04442	3.0
123.08063	7.0
123.11685	0.8
125.05993	1.7
125.09600	4.6
127.07527	0.9
128.06212	0.6
129.06978	2.7
131.08546	0.9
132.05690	1.6
132.79462	0.4
133.06453	0.6
133.10126	1.2
135.08061	0.5
135.11731	0.7
137.05960	24.1
137.09595	2.1
137.13231	0.6
139.03871	0.6
140.04663	1.4
140.07053	2.1
141.05443	3.7
142.08650	0.7
147.08023	5.3
147.11678	3.6
149.05981	0.9
149.09592	1.8
149.13181	0.6
150.06731	2.4
151.07533	4.8
153.05522	0.6
154.18616	0.5
155.03413	0.6
155.07021	2.9
155.08353	0.8
157.06456	1.0
157.10080	0.8
160.05211	1.5
163.03873	0.8
165.09096	39.9
165.12743	1.0
166.08527	2.7
167.10678	3.0
169.08560	2.5
169.10123	1.7
169.12187	0.5
175.07529	18.1
175.11185	1.7
175.14784	1.2
177.05406	0.6
178.06221	6.7
181.10037	1.0
182.10902	0.5
183.11708	0.5
184.09668	9.0
193.08582	100.0
194.08905	1.7
211.09621	49.4
211.13123	2.7
211.15038	3.4
212.09084	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	2.7
55.05504	28.9
57.03431	3.2
57.07053	5.0
59.04987	3.5
64.92200	2.0
67.05488	11.0
69.03416	4.3
69.07047	9.7
71.04977	5.6
71.07057	4.0
79.05089	2.0
79.05484	14.3
79.40977	1.9
79.50965	2.1
79.68714	1.8
81.07064	22.2
83.04974	61.5
83.08604	13.9
85.06532	5.9
91.05467	13.3
93.06516	2.4
93.07040	26.2
95.04955	29.8
95.08595	20.2
97.06513	19.0
97.10163	4.2
99.04449	6.6
99.08080	9.8
105.07024	17.7
107.04978	3.5
107.08578	37.0
109.06511	100.0
109.10139	28.3
111.08110	9.9
113.09641	3.7
114.72972	2.0
117.06995	2.3
119.08572	7.7
121.06496	10.1
121.10140	26.3
123.08061	12.8
123.11680	7.1
125.05931	2.6
125.08739	2.3
125.09568	11.1
127.07474	3.4
131.08551	25.6
133.10127	32.5
135.08041	23.5
135.11658	4.4
136.25150	1.9
137.09628	2.5
139.07556	2.5
139.43008	2.1
145.10074	9.6
147.11679	5.5
149.05945	4.0
149.09607	42.2
149.13226	16.6
151.11168	22.2
153.05492	2.7
153.09093	21.5
153.81216	2.2
163.11212	4.7
163.14830	6.2
163.97618	1.9
167.14305	19.3
173.13217	17.0
177.05492	3.9
191.10677	5.6
191.14284	30.7
209.08105	3.0
209.11707	4.9
209.15350	56.0
214.36008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0598
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
53.03936	0.4
55.01863	0.8
55.05505	0.9
57.03428	3.3
59.05017	0.3
65.03919	0.5
67.01866	0.8
67.05495	1.7
68.08570	0.3
68.99772	4.0
69.03413	2.3
69.07052	1.3
70.06576	0.7
70.34582	1.4
71.04979	1.1
74.75488	0.3
79.05483	2.7
79.34827	0.3
81.03415	1.1
81.07047	4.8
81.98563	0.3
83.01319	0.5
83.05005	0.8
83.08599	0.7
85.02898	2.2
85.06538	1.0
87.79083	0.3
91.05465	6.5
92.57738	0.3
93.07028	2.0
95.04941	3.2
95.08587	2.0
97.02878	0.5
97.06510	1.1
98.21409	0.4
99.04416	2.3
99.08068	0.9
103.05499	0.5
105.07007	2.8
105.49062	0.3
106.04143	0.4
107.04951	0.8
107.08563	1.9
109.02855	1.4
109.06503	6.5
109.10148	1.4
111.00788	1.4
111.08061	0.7
119.04073	0.5
119.04925	8.5
119.05940	0.4
119.06109	0.4
119.08539	2.2
120.19215	0.3
121.06496	1.5
121.10117	0.5
123.04418	3.5
123.07121	0.4
123.08015	0.9
123.11674	0.8
125.09608	1.5
127.03907	4.1
129.06981	0.7
131.08525	0.5
133.10106	1.7
135.07991	0.4
135.11676	0.9
137.05956	58.1
137.09557	1.0
138.06290	0.6
141.05495	0.4
147.04378	1.4
147.07986	0.5
147.11668	1.4
149.05922	2.1
149.13153	0.5
151.03902	3.5
151.07588	1.6
151.11198	0.7
153.01807	72.7
154.02132	0.4
155.08556	0.8
162.41481	0.4
165.05452	34.0
165.09117	0.9
166.05843	0.5
167.07025	8.6
169.04929	0.4
171.02806	2.0
175.07538	3.9
175.11134	0.9
175.14828	0.8
179.07010	4.0
181.08592	1.6
183.06517	8.2
183.07996	0.6
184.09676	1.4
193.04944	29.2
193.08539	3.0
193.12231	1.1
193.15924	0.9
194.05290	0.6
211.05984	100.0
211.09482	2.4
212.06299	1.5
212.09122	0.8
212.11826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.1
55.01855	3.2
55.05505	5.8
57.03418	1.1
57.07065	9.3
59.04980	1.8
65.03926	1.6
67.05488	9.2
68.73138	1.1
69.03421	21.8
69.07066	7.3
70.43211	4.4
71.01382	0.9
79.05482	6.5
80.03094	0.9
81.07044	11.5
83.04974	16.6
83.08596	1.2
85.06532	8.4
91.05463	9.0
93.03352	1.1
93.07029	8.3
95.04940	3.8
95.08590	11.4
97.06518	4.4
103.05460	2.4
105.07024	7.4
106.04143	5.5
106.27746	1.2
107.04937	1.5
107.08573	27.1
107.09322	1.3
109.06493	11.7
109.10130	7.6
111.08040	10.0
119.08556	7.2
121.06481	8.0
121.10114	13.7
123.08047	5.8
123.11694	6.5
123.18526	1.0
125.06003	2.1
125.09610	64.2
131.08556	8.0
133.10114	8.3
134.03610	1.3
135.08032	20.7
135.11676	7.3
137.09584	1.6
143.08511	1.6
145.10085	3.7
147.11674	4.0
149.05954	7.3
149.09616	9.1
149.13254	7.4
150.10384	2.3
151.11145	3.3
153.07881	1.0
153.09082	16.6
158.10838	5.8
161.09615	1.7
163.11154	5.0
163.14784	6.1
165.12724	11.9
173.11847	0.8
173.13235	23.3
174.13644	1.0
176.11951	1.6
177.05453	3.9
181.08548	2.8
183.75356	0.9
191.14284	100.0
192.14731	1.6
203.74644	1.2
209.08066	3.1
209.15343	91.0
210.15662	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.52096	0.3
55.01860	2.4
55.05497	1.3
57.03426	0.5
57.07064	4.0
58.76621	0.3
59.04970	0.5
61.02935	0.5
65.03928	0.9
67.05494	4.0
69.03415	1.2
69.07063	2.0
69.57905	0.3
71.04984	3.0
71.06809	0.8
71.07178	0.7
75.04465	0.5
78.04703	0.6
78.58456	0.4
79.05482	4.1
81.03389	0.4
81.07047	4.8
82.65788	0.4
83.04977	1.4
83.08604	1.2
85.02874	0.7
85.06527	1.0
88.15893	0.3
91.05470	5.2
93.03395	1.2
93.06493	0.6
93.07033	5.9
95.04948	4.8
95.08582	5.4
97.06501	1.2
98.20755	0.4
103.05447	1.4
105.07029	3.5
106.04168	4.3
107.04947	1.1
107.08578	6.3
109.06501	100.0
109.10139	11.7
110.06836	1.5
111.04419	0.6
111.08069	2.0
115.05385	0.5
117.06999	1.2
119.08582	1.8
121.05623	0.4
121.06481	4.9
121.10117	4.0
123.08053	10.5
125.05980	1.1
125.09593	0.9
131.04910	0.5
131.08551	5.9
133.06371	0.5
133.10088	3.1
134.03630	0.9
135.08037	26.4
135.11703	0.9
137.05995	0.9
138.06784	0.3
139.07510	0.8
139.11148	0.9
143.08607	0.7
145.02850	0.5
145.10080	2.7
147.08031	0.6
147.11670	1.7
148.05159	0.6
149.05966	5.5
149.09590	3.0
149.13243	1.2
150.10378	1.0
151.11185	1.9
153.05484	0.4
153.09093	5.6
155.82407	0.3
158.10899	1.4
161.09624	0.9
163.07541	0.6
163.11194	0.6
163.14752	0.7
165.12801	0.6
167.14301	0.7
173.13243	6.1
176.11954	0.7
177.05432	2.6
181.08604	1.1
191.07022	0.8
191.14281	23.3
192.14740	0.7
209.08107	2.3
209.11684	0.4
209.15329	10.0
209.17252	0.6
210.15698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03916	3.9
55.01865	7.9
55.05498	9.5
57.03428	2.6
57.07064	9.3
59.04972	1.6
65.03920	3.0
66.15440	1.5
67.05492	19.3
69.03415	19.7
69.07056	8.7
71.04968	6.1
71.70646	2.3
75.04449	3.1
78.04689	4.5
79.05470	15.1
81.03403	5.0
81.07043	19.5
83.04970	15.6
83.08587	3.9
85.02893	4.6
85.06533	8.2
89.03915	1.8
91.05466	25.4
93.03398	6.6
93.07037	21.7
95.04953	21.2
95.08598	18.5
96.58691	1.2
97.02869	2.6
97.06503	9.1
99.04429	5.1
99.08114	1.8
103.05449	7.6
105.07013	13.4
105.66528	1.3
106.04154	22.6
107.04955	8.5
107.08578	31.3
109.06503	99.2
109.10138	15.2
110.06823	2.4
111.04388	3.3
111.08064	16.1
117.03349	2.5
117.06974	5.2
119.04943	1.7
119.08564	10.8
121.06492	26.3
121.10110	18.6
123.04449	1.8
123.08033	13.0
123.11690	5.5
125.06014	6.8
125.09614	50.5
127.07549	2.5
129.06902	1.6
130.00734	1.2
131.04951	3.2
131.08531	16.0
133.10110	17.2
134.03606	4.6
135.04373	2.6
135.08022	37.4
135.11641	7.9
137.05930	5.4
137.09605	2.0
138.06689	1.6
139.03775	1.3
139.07552	7.6
145.06430	1.5
145.10106	12.7
147.08060	2.0
147.11711	6.6
148.05180	2.4
149.05952	32.9
149.09586	13.0
149.13234	8.3
151.07513	2.8
151.11150	4.9
153.01819	1.9
153.05460	1.6
153.09090	22.4
158.10863	4.8
161.09554	2.1
161.13248	2.3
163.03851	1.5
163.07532	2.1
163.11168	8.7
163.14793	5.8
165.12752	9.4
167.14285	1.9
173.09630	2.2
173.13234	25.8
176.11890	2.0
177.05460	16.1
181.08592	5.8
191.06950	2.0
191.10648	3.9
191.14287	100.0
192.14563	2.2
209.08047	13.2
209.11703	5.0
209.15334	85.8
210.15588	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.8
55.01857	5.6
55.05507	21.3
57.03418	6.9
57.07051	5.0
59.04983	4.4
65.03928	2.1
67.05493	22.2
69.03425	10.9
69.07056	19.4
70.06562	1.9
71.04977	10.5
71.44086	3.4
73.75307	1.5
78.04663	1.9
79.05479	19.5
81.03374	2.5
81.07047	42.2
83.01316	2.3
83.04967	27.4
83.08601	12.6
85.02907	5.0
85.06528	11.6
87.65485	1.7
88.49033	1.6
91.05460	17.2
91.90054	1.7
93.07033	46.5
95.04961	30.9
95.08596	40.5
97.06520	16.7
97.10117	2.5
99.04442	8.4
99.08071	22.3
103.05444	3.9
105.03367	2.2
105.07012	25.9
106.04142	5.6
107.04932	8.7
107.08576	75.0
109.06500	30.8
109.10130	37.8
110.08979	1.7
111.04389	3.7
111.08045	13.7
117.07001	4.6
119.08541	13.7
120.08085	3.3
121.06482	27.0
121.08414	7.6
121.09265	3.7
121.10123	58.2
122.10445	6.3
123.08057	34.1
123.11681	8.1
125.05965	8.8
125.09612	17.1
127.07513	4.2
131.04922	1.8
131.08536	19.6
131.29182	1.7
133.10107	39.4
133.11050	3.0
135.04449	2.4
135.08025	22.5
135.11687	7.5
137.09584	12.5
139.07486	9.6
139.11168	4.7
143.08517	2.4
145.02875	1.9
145.10123	9.1
146.10522	1.9
147.11633	11.1
148.05243	2.0
149.06038	8.4
149.09599	100.0
149.13226	34.8
151.11154	51.8
153.01788	17.1
153.09097	20.3
154.09872	4.9
155.10715	2.1
158.10866	2.9
163.07454	2.1
163.11098	4.6
163.14796	22.9
173.02870	2.3
173.13235	33.3
174.13632	1.7
177.05438	10.2
181.04974	2.2
181.08623	1.9
181.14191	2.8
191.07027	4.5
191.14284	47.2
209.08051	23.4
209.11792	3.0
209.13609	9.5
209.15350	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	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.80566	1.5
53.03934	5.7
55.01866	2.0
55.05505	100.0
57.03427	3.5
57.07056	3.2
59.04990	4.1
65.03950	1.7
67.05492	8.2
68.88862	1.5
69.03423	9.3
69.07074	11.0
69.24574	1.5
69.65724	1.6
71.04977	5.2
71.42573	4.2
79.05495	8.6
81.07043	19.2
82.33766	1.6
83.04971	93.0
83.08107	3.4
83.08607	62.2
85.06522	3.5
91.05483	10.4
93.03383	2.0
93.07034	31.8
95.04954	34.2
95.05520	2.6
95.08585	14.2
97.06511	11.0
97.10131	12.1
99.04441	6.8
99.08099	2.3
105.07020	4.8
106.04174	7.3
107.08583	39.4
109.06510	24.5
109.10139	32.9
111.08077	14.8
113.09624	5.2
119.08583	3.5
121.06503	7.8
121.10125	75.0
123.08044	3.6
123.11686	16.1
125.09586	16.2
125.10358	1.7
131.08546	2.2
133.10112	15.2
135.08087	2.1
135.11664	2.8
145.10168	3.1
149.05933	6.7
149.13249	10.3
151.11160	63.3
153.09103	13.3
163.14787	12.0
167.14294	99.9
168.14642	2.6
173.13243	7.5
177.05481	3.4
181.08574	4.0
191.14264	12.0
209.08179	1.9
209.15343	55.3
209.17282	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.51201	1.8
53.03924	2.7
55.01851	3.1
55.05503	89.6
56.05829	2.2
57.03415	5.8
57.07053	7.3
59.04977	5.9
65.03935	3.0
67.05502	14.5
69.03428	9.8
69.07062	11.4
69.83278	13.3
71.04978	11.3
79.05489	11.7
81.07050	30.5
83.04971	88.8
83.08124	3.3
83.08611	62.3
85.06516	5.7
91.05457	8.5
93.07036	17.5
95.04959	100.0
95.08591	14.7
97.06509	24.3
97.10160	15.1
99.04455	21.7
99.08060	3.0
105.07014	9.6
107.08585	39.7
109.06508	70.8
109.09423	3.1
109.10144	42.7
111.04427	2.2
111.08065	17.7
113.09613	2.9
119.08542	6.4
121.06485	2.6
121.10120	23.5
123.08050	5.5
123.11705	14.3
125.05953	2.8
125.09634	29.4
131.08589	9.9
133.10115	36.3
135.08031	15.4
135.11644	3.2
145.10106	5.7
147.11671	4.1
149.05978	5.4
149.09598	13.3
149.13232	11.9
151.11160	65.8
153.09085	54.5
163.14787	4.9
167.14299	99.9
173.13190	18.0
191.14272	32.2
209.04289	2.5
209.15347	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03936	3.4
54.23643	1.3
55.05506	97.2
57.07064	2.3
59.04991	3.3
65.03933	1.6
67.05510	7.9
69.03418	8.0
69.07053	7.4
70.48622	5.9
71.04971	3.2
79.05496	7.7
81.07041	15.8
83.04971	80.9
83.08610	47.6
83.09087	3.0
85.06527	4.4
91.05459	7.0
93.01051	1.4
93.07032	16.5
94.19980	1.5
95.04958	17.9
95.08609	10.4
97.06511	10.1
97.10151	10.8
97.82574	1.4
103.05480	3.1
105.07015	5.9
106.04166	4.6
107.04922	1.8
107.08581	25.0
109.06485	16.1
109.10143	34.3
109.21405	1.4
111.04417	2.1
111.08056	15.9
113.09624	2.6
120.04396	1.8
121.06487	7.7
121.10126	23.7
123.04433	1.6
123.08070	3.2
123.11693	14.6
125.09637	14.5
127.59850	1.7
131.04874	1.8
131.08530	3.3
133.10126	13.6
134.03651	2.1
135.04378	1.6
135.08008	3.7
137.09605	2.0
145.10086	2.6
149.02394	1.5
149.05969	6.4
149.09587	2.3
149.13268	9.4
151.09940	2.0
151.11163	58.6
153.09140	7.6
163.14851	5.6
167.14301	100.0
168.14651	2.4
173.13275	5.4
173.55338	1.3
177.05446	8.8
181.08626	1.9
191.14337	6.2
209.08063	4.1
209.15349	48.0
210.11015	1.8
228.05392	1.6
228.63699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03920	4.2
54.81086	2.7
55.01857	6.4
55.05505	17.4
57.03411	5.6
57.07053	9.2
59.04990	13.5
60.29237	2.3
67.05488	23.7
69.03415	8.0
69.07063	23.8
71.04980	10.8
71.09235	8.1
73.06534	2.6
79.05479	23.3
81.03400	5.2
81.07043	58.9
83.04964	32.6
83.08601	7.8
85.06529	15.9
91.05463	27.3
93.07026	64.3
95.04963	24.8
95.08589	54.8
97.06503	21.4
98.69028	2.3
98.80912	2.5
99.04440	5.0
99.08076	9.8
103.05411	4.1
105.07026	26.6
106.04147	6.8
107.04937	12.5
107.08575	100.0
109.06486	25.7
109.10137	49.1
111.08025	12.2
113.09627	3.0
117.07001	7.2
119.08536	14.1
121.06491	30.5
121.09277	4.5
121.10121	70.8
123.08058	32.0
123.11658	9.2
125.05960	7.7
125.09585	14.7
131.08545	28.2
133.10107	53.0
135.08029	31.1
135.11620	13.5
137.09567	10.1
139.07498	4.2
139.11134	7.2
145.10100	9.9
147.11664	15.9
149.05969	13.8
149.09590	61.8
149.12129	4.5
149.13229	52.6
151.11156	81.0
152.11481	2.7
153.09094	16.8
158.10867	5.3
163.11160	6.2
163.14790	35.0
167.14384	4.7
173.13245	40.3
176.58461	2.3
177.05406	8.7
181.08501	5.5
191.14276	57.0
207.18593	2.4
209.08060	6.5
209.13422	3.9
209.15346	57.2
210.15172	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	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.68789	1.8
53.03942	3.4
55.01858	5.0
55.05241	4.7
55.05503	92.3
57.03411	4.0
57.07065	3.5
59.04985	5.6
67.05499	12.1
69.03414	7.9
69.07058	11.7
71.04975	8.0
71.14686	5.6
71.15044	3.1
79.05474	9.0
81.03402	2.1
81.07044	19.7
83.04969	92.8
83.08611	54.8
85.06524	5.4
89.06031	3.4
91.05460	9.2
93.07040	27.6
95.04956	37.4
95.08594	18.4
97.06524	13.2
97.10157	9.1
99.04415	9.9
105.07005	10.3
107.08579	39.7
109.06505	44.1
109.10141	32.1
111.08070	23.0
113.94120	2.1
119.08570	3.9
121.06436	2.1
121.10129	67.1
123.08052	7.6
123.11676	17.3
125.09615	19.4
131.08530	4.0
133.10115	16.4
135.08025	9.4
135.11668	2.9
137.09589	2.8
145.10072	5.0
146.79813	2.0
147.04396	6.5
147.11646	2.9
149.09595	4.0
149.13243	15.1
151.11156	58.5
153.09087	21.2
159.31165	2.3
163.14801	14.3
167.14301	100.0
173.13254	13.0
191.14268	19.8
209.04359	2.4
209.15343	67.2
209.60225	2.0
209.62376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03924	2.8
55.05503	80.3
56.52079	1.7
57.03398	3.3
57.07049	4.1
57.21146	1.7
58.84429	1.6
59.04953	6.1
60.70766	1.8
67.05508	12.2
69.03394	8.1
69.07053	12.7
70.06735	5.6
70.07141	3.7
71.04944	6.7
73.42451	1.6
73.59584	1.8
79.05491	9.4
81.07047	19.4
82.06535	3.7
83.04969	56.8
83.08605	51.0
84.08115	3.1
85.06483	5.0
91.05434	7.9
93.07033	38.7
95.04955	53.3
95.08580	13.7
97.06521	8.5
97.10153	9.9
99.04440	11.5
99.08073	1.9
100.11237	10.7
105.07001	9.4
107.08579	42.1
109.05898	2.0
109.06510	25.9
109.10145	33.2
111.08043	11.5
113.53417	1.6
119.08485	5.9
121.06467	1.9
121.10126	100.0
123.07996	3.6
123.11682	11.4
125.09621	16.1
131.08488	5.7
131.46194	2.1
132.37683	1.9
133.10118	18.6
135.07973	4.6
135.11644	2.8
137.09552	2.8
139.08525	2.3
145.10028	3.2
149.05934	4.7
149.09534	2.8
149.13278	8.6
151.11169	54.6
153.08083	1.5
153.09088	20.8
153.18633	1.6
158.10843	2.6
163.14810	19.0
167.14296	74.2
168.14563	2.3
173.13254	8.6
177.05334	5.3
191.06894	2.1
191.14302	16.9
196.08121	1.5
196.36143	1.9
209.04326	2.1
209.08043	2.9
209.13432	3.3
209.15239	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02351	1.2
53.00288	1.3
53.03924	4.4
55.01637	1.1
55.01866	15.1
55.05502	28.4
57.03413	4.5
57.07045	3.8
58.48353	0.9
59.04971	2.9
65.03920	3.5
67.05497	14.0
69.03421	11.3
69.07054	21.1
71.04617	1.6
71.04980	24.5
71.08528	1.0
71.80120	1.7
71.80542	1.3
77.03927	2.0
78.04674	1.7
79.05482	41.3
80.96219	1.0
81.03403	2.8
81.06609	1.9
81.07045	25.7
83.04501	2.0
83.04967	31.2
83.08607	16.2
84.08147	1.3
85.02881	2.8
85.06509	4.1
89.03909	2.1
90.16885	1.2
91.05461	33.8
93.03381	3.7
93.07030	55.9
94.07323	1.1
95.04951	38.6
95.08587	16.8
97.02885	2.8
97.06514	15.8
97.10142	3.1
99.04428	10.3
99.08064	1.6
103.05450	6.5
105.03338	1.2
105.07017	35.9
106.04163	7.6
107.04945	18.8
107.08578	69.9
109.06498	36.5
109.07137	0.7
109.10131	20.1
111.04419	4.6
111.08055	7.2
113.05991	2.3
113.09582	1.1
113.19849	1.1
115.05450	2.4
116.06207	2.0
117.03377	3.2
117.07016	7.7
119.04907	1.8
119.06010	1.5
119.08552	12.8
119.33638	1.1
121.02841	1.3
121.05592	1.8
121.06487	41.9
121.10126	59.4
123.04413	2.3
123.08059	10.3
123.11674	7.1
124.05200	1.4
125.05990	6.8
125.09624	10.1
129.06975	3.9
130.07776	2.8
131.04883	6.5
131.08543	100.0
132.08847	1.3
133.10110	22.0
134.03638	3.4
135.04416	7.0
135.08034	11.7
135.11665	7.2
136.12003	1.2
137.05930	4.4
137.09590	2.1
138.03127	1.7
138.06673	2.0
139.03854	1.8
139.07518	5.4
139.11107	1.8
141.05444	3.1
143.08496	2.0
145.02821	3.1
145.06474	1.8
145.10104	40.5
147.04398	2.4
147.08029	2.9
147.11668	8.0
148.05168	3.2
149.02333	5.7
149.04848	2.0
149.05965	21.6
149.09592	65.5
149.13226	11.9
151.07491	4.1
151.11150	16.8
153.05470	12.2
153.09085	17.5
155.06932	1.6
158.10837	2.3
159.04388	2.6
163.03914	6.9
163.07521	4.4
163.11169	25.2
163.14806	9.8
165.05443	1.5
165.09055	2.8
165.12755	2.1
166.06290	1.2
167.07004	13.1
167.10638	4.0
167.14281	20.3
168.06682	1.2
173.09575	4.6
173.13257	16.9
177.05461	21.5
178.05960	1.3
181.04929	4.2
181.08522	3.4
191.07022	9.0
191.10611	31.8
191.14282	25.0
194.02094	9.0
194.05841	1.5
209.04420	36.0
209.08017	17.6
209.11690	57.7
209.15331	50.4
210.07564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03930	7.5
53.04177	1.6
53.04646	1.8
53.09523	1.6
55.01863	13.5
55.05506	8.9
57.03418	4.4
57.07055	4.3
59.04990	4.5
65.03928	12.1
67.05497	24.7
68.99767	2.1
69.03419	16.5
69.07052	12.5
69.79021	11.8
69.79430	3.3
71.04989	12.3
75.04483	10.8
78.04694	11.5
79.05478	24.2
81.03397	5.8
81.07047	26.2
81.42290	1.7
83.04979	22.3
83.08636	5.6
84.04556	1.7
85.02890	9.6
85.06513	5.1
89.03922	3.9
89.06015	3.1
91.05465	51.6
93.03387	34.0
93.07030	39.5
95.04951	29.6
95.08596	30.0
97.06523	14.4
99.04454	2.9
99.08081	3.4
103.04818	2.7
103.05439	19.0
105.03365	2.4
105.04565	2.0
105.07005	17.0
106.04161	78.5
107.04958	16.7
107.08584	45.4
108.24729	1.8
109.06503	32.3
109.10150	14.5
111.04429	3.7
111.08073	7.2
113.09695	1.8
117.03355	3.8
117.07004	4.7
118.04161	2.5
119.04932	4.3
119.08583	10.7
121.06488	88.5
121.10127	44.5
122.03631	2.4
123.04412	5.3
123.08050	12.4
123.11681	5.6
124.05223	3.1
125.05976	20.5
125.09617	26.5
131.04893	5.1
131.08543	10.7
133.10094	20.5
134.03644	10.6
135.04376	7.1
135.08047	20.6
135.11697	11.7
137.05963	15.4
137.09552	2.9
138.06767	3.4
139.07501	8.5
139.11134	5.8
141.86076	2.0
143.08499	1.9
145.02835	3.6
145.06454	2.6
145.10065	15.2
147.04347	3.0
147.11667	8.5
148.05188	7.6
149.05960	100.0
149.09578	16.2
149.13228	20.6
151.03886	4.3
151.07556	4.0
151.11160	92.2
153.01796	21.0
153.05414	6.8
153.09073	28.5
158.10924	5.1
163.07538	7.1
163.11172	7.7
163.14815	8.6
165.12743	6.9
166.06288	3.3
173.09557	5.4
173.13248	21.5
176.04579	3.2
177.05441	42.0
181.08592	22.9
191.07014	12.8
191.10625	8.5
191.14296	67.0
209.08046	40.1
209.11710	8.5
209.15361	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	209.0806
Annotation	Panepoxydione
Peak:m/z	Relative Intensity
51.02380	0.6
53.03944	2.2
55.01861	4.2
55.05505	6.6
57.03418	1.9
57.07057	1.2
59.04987	2.6
65.03937	1.4
67.01865	0.8
67.05501	7.9
68.99786	1.0
69.03415	2.7
69.07061	4.2
71.04982	3.4
71.81145	1.3
75.04462	0.8
76.40178	0.6
77.03870	0.7
78.04674	0.6
79.05480	8.2
81.03388	4.6
81.07047	9.3
83.04967	11.0
83.08609	3.1
85.02907	0.9
85.06521	1.7
87.04440	0.8
89.03901	1.3
91.05476	10.2
93.03390	2.5
93.07034	12.1
95.04956	24.3
95.08598	7.8
97.06524	9.6
97.10151	0.7
99.04445	5.0
99.08082	1.3
103.05442	2.7
105.04500	0.7
105.07027	6.0
106.04156	7.2
107.04946	5.8
107.08585	12.5
109.06508	21.5
109.10149	5.0
111.04421	2.5
111.08064	2.8
113.05944	1.0
113.09602	0.9
117.03420	0.9
117.06997	2.8
119.04931	1.0
119.08543	3.5
121.06493	10.4
121.10127	11.8
123.04404	2.8
123.08065	4.1
123.11694	1.5
125.05975	3.6
125.09605	1.8
130.07744	0.7
131.04924	1.6
131.08540	5.5
133.10098	10.3
134.03604	1.8
135.08026	6.5
135.11664	4.6
137.05946	1.0
137.09555	2.8
139.03903	0.7
139.07512	1.0
139.11177	0.8
143.08560	1.1
145.06480	1.3
145.10130	5.4
147.11700	2.9
148.05168	1.3
149.04839	1.0
149.05959	11.6
149.09584	7.0
149.13226	4.4
151.03897	2.3
151.11148	7.6
153.01807	77.1
153.09073	13.0
154.02089	0.8
155.08542	0.9
158.10919	0.7
163.03853	1.6
163.07506	2.5
163.11163	4.2
163.14812	3.5
165.12711	2.2
166.06219	0.6
167.14354	3.4
171.02849	1.6
173.09590	1.9
173.13232	5.9
176.04674	2.5
177.05440	7.8
181.08589	2.6
181.12187	0.6
191.07014	13.8
191.10641	4.5
191.14304	12.2
209.04430	3.2
209.08064	100.0
209.11540	3.1
209.15323	19.9
210.08327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03938	5.9
55.01861	14.5
55.05504	2.4
57.03421	2.3
57.07051	1.7
65.03937	10.3
67.05499	5.0
68.99770	1.7
69.03404	2.0
69.07048	3.5
70.55974	3.8
71.04980	1.9
73.77601	0.9
74.38901	0.9
75.04470	9.2
78.04693	12.0
79.05476	8.4
80.06209	1.1
81.03391	3.8
81.07034	3.9
83.04980	3.9
83.08598	1.4
85.02882	11.5
89.03889	5.8
89.06007	2.7
91.05466	40.3
93.03393	25.3
93.07026	20.3
95.04952	24.0
95.08598	4.5
97.06517	9.4
103.05455	21.8
105.03378	3.4
105.04514	1.4
105.07016	3.9
106.04155	75.2
107.04932	6.8
107.08569	6.7
108.05682	1.2
109.06474	7.7
109.10132	2.5
110.03629	1.3
111.04430	5.2
111.08034	1.4
117.03323	5.1
117.07004	1.0
118.04113	1.3
119.04887	5.7
119.08592	1.8
121.06484	76.4
121.10110	4.0
123.04386	4.5
123.08015	3.1
123.11677	2.0
124.05169	2.0
125.05968	20.1
125.09621	2.9
131.04913	7.4
131.08549	2.2
133.02841	1.5
133.10139	1.9
134.03615	11.3
135.04395	4.0
135.08064	5.4
135.11702	2.5
137.05956	14.5
138.06740	3.9
139.07533	6.3
145.01869	1.2
145.02809	7.0
145.10126	2.7
147.04393	2.7
148.05165	7.4
149.05956	100.0
149.09587	4.2
149.13274	1.6
151.03886	1.8
151.07510	3.4
151.11162	2.0
152.08296	1.2
153.05408	6.0
153.09087	18.2
159.04384	2.0
163.03900	3.1
163.07538	7.3
163.11131	3.3
165.05467	1.0
165.12714	6.7
166.06276	3.5
167.06995	3.0
176.04655	1.9
177.05437	48.3
181.08586	27.4
191.07014	8.6
191.10614	8.3
191.14288	3.5
209.04408	2.4
209.06186	2.0
209.08064	29.7
209.11726	3.6
209.15247	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	209.0802
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
53.03945	0.4
55.01866	1.4
55.02135	0.2
55.05514	0.5
57.07076	0.3
58.85518	0.2
65.03942	0.2
65.17508	0.2
67.05511	0.5
69.03425	1.0
69.07067	0.6
71.05007	0.2
71.81757	0.2
71.82219	0.2
79.05482	3.2
81.03418	1.0
81.07045	0.4
83.01328	12.4
83.04954	0.4
91.05470	4.4
93.03413	0.2
93.07035	2.9
95.04939	1.4
95.08616	0.6
97.06538	0.2
103.05451	1.0
105.07023	2.6
107.04932	3.3
107.08578	5.0
109.02867	0.4
109.06507	1.7
109.10125	0.2
111.04398	0.3
113.06019	0.3
115.05455	1.9
117.07003	3.5
119.08568	0.6
121.06486	5.6
121.09345	0.4
121.10133	3.2
123.04417	0.3
123.08042	0.3
129.06900	0.2
131.08600	0.3
133.10146	0.2
135.04419	1.9
135.08034	11.7
135.11655	0.3
137.05936	0.3
137.09579	0.2
139.03932	0.3
140.04688	0.3
141.05562	0.3
145.06465	1.8
145.10117	0.4
147.04457	0.2
147.08055	0.5
148.05176	1.5
149.05956	8.7
149.09619	0.2
151.11220	0.3
153.05450	1.8
153.09119	0.3
163.07520	14.5
163.11194	0.9
164.44949	0.2
173.05939	1.0
177.05281	0.3
179.08517	0.3
191.07007	100.0
192.07440	1.5
209.08057	46.4
209.15240	1.8
210.08308	0.5
219.50311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
53.03939	0.4
55.01848	1.2
55.05515	0.4
60.97018	0.2
65.03925	0.4
67.05500	0.8
68.99780	1.0
69.03430	0.9
69.07062	0.6
69.52550	0.2
71.81734	0.3
75.83515	0.2
78.86243	0.2
79.05484	2.1
81.03385	0.3
81.07053	0.7
83.01328	9.5
83.04974	0.6
85.02884	0.2
91.05470	3.4
93.07024	2.2
95.04958	1.1
95.05505	0.2
95.08598	1.3
96.35695	0.3
97.06512	0.6
99.04440	0.2
103.05447	0.5
105.07022	1.2
107.04914	2.4
107.08575	4.0
109.06502	1.8
109.10180	0.3
111.04428	0.8
111.08077	0.5
113.05976	0.3
115.05418	2.0
115.70302	0.2
117.06992	4.6
117.07777	0.3
119.04920	0.3
119.08624	0.3
120.05724	0.2
121.06487	3.8
121.10143	0.4
123.04409	0.8
123.08040	0.4
125.05975	0.8
125.09614	0.4
131.04904	0.3
135.04359	0.9
135.08035	10.0
135.11688	0.3
139.03873	0.3
139.07585	1.0
141.05345	0.2
145.01620	0.2
145.06464	4.9
147.04382	0.3
148.05151	0.7
149.05962	4.6
149.09595	0.4
151.11159	0.3
151.72333	0.2
153.05440	7.4
153.09077	0.8
163.07527	13.1
163.11189	0.3
165.05441	0.2
166.07620	0.2
167.07010	5.1
169.04880	0.2
173.05962	4.9
176.04704	0.5
177.05458	0.6
181.06960	0.4
181.08572	6.7
181.10109	0.5
191.06999	100.0
192.07323	1.0
194.05734	1.3
197.15486	0.2
199.72879	0.2
209.08055	49.0
209.15367	1.8
210.08362	0.6
215.66757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0803
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
53.03941	0.3
55.01865	1.4
65.03926	0.4
67.05485	0.3
69.03420	0.7
69.59328	0.1
70.42403	0.5
77.03907	0.1
79.05480	3.2
81.03387	0.9
81.07035	0.2
83.01325	12.1
85.02885	0.2
91.05466	4.2
91.06039	0.2
93.03378	0.3
93.07032	2.3
95.04945	1.0
103.05440	0.8
105.07005	1.3
107.04942	2.9
107.08570	4.3
109.02869	0.3
109.06492	1.2
115.05436	2.0
117.07002	3.5
119.04887	0.2
119.06064	0.1
120.05669	0.2
121.06486	5.3
123.08026	0.2
125.05985	0.1
131.04918	0.1
135.04395	1.9
135.08031	11.7
137.05962	0.2
145.06458	2.0
146.07208	0.2
147.04378	0.2
147.08014	0.4
148.05170	1.4
149.05957	8.1
153.05460	1.4
162.06746	0.1
163.07515	15.1
164.07869	0.2
173.05928	1.1
176.04689	0.2
179.03217	0.1
181.08624	0.2
191.06998	100.0
192.07356	1.3
209.08054	46.6
210.08418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.26455	0.7
51.25924	0.7
51.38596	0.7
53.03959	0.9
55.01845	0.8
55.05500	5.2
57.07063	2.9
57.93572	0.7
58.73332	0.6
59.04965	1.1
67.05508	6.7
69.03423	0.9
69.07058	23.8
70.98647	1.0
70.98981	1.7
71.05013	0.8
71.08630	0.9
73.13737	0.7
77.35639	0.8
79.05489	4.8
81.07044	22.2
83.04966	18.6
83.08601	2.2
85.06567	1.2
91.05457	8.4
93.07031	13.5
95.04963	2.5
95.08592	25.7
96.42223	0.7
97.06519	4.8
97.10177	1.4
105.07018	17.1
107.08577	13.8
107.29779	0.7
109.06510	6.4
109.10132	7.7
111.08068	1.3
111.11677	1.2
118.52988	0.7
119.08560	11.0
119.17696	0.7
121.10130	6.6
123.08051	99.1
123.11642	3.5
124.08360	2.0
125.09660	1.1
131.08540	1.1
133.10114	25.4
135.11710	4.7
137.09595	2.3
137.13232	9.0
147.11670	12.7
147.19156	0.7
149.13191	6.5
151.11148	17.5
161.13258	5.9
163.14821	4.6
164.11974	1.1
165.12732	3.3
189.16373	26.2
196.36992	0.8
207.06500	11.2
207.17418	100.0
208.17725	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	209.08
Annotation	3,4-Dimethoxy-trans-cinnamic acid
Peak:m/z	Relative Intensity
53.03946	0.7
53.89251	0.3
54.65231	0.3
54.83258	0.3
55.01862	3.0
55.05503	0.8
55.54737	0.4
57.07064	0.5
58.07048	0.3
67.05479	1.0
69.03418	1.2
69.07059	0.6
69.60153	3.4
71.04992	0.4
79.05473	2.8
81.03412	1.3
81.07028	0.7
83.01325	11.8
83.04966	1.0
91.05463	4.7
93.03359	0.3
93.07014	3.1
95.04967	1.4
95.08601	1.0
96.15390	0.4
97.06551	0.4
103.05431	0.8
105.07028	2.2
107.04925	3.3
107.08577	5.3
109.06499	2.3
109.10172	0.4
111.08033	0.4
115.05435	2.2
117.07001	3.3
119.08555	0.5
121.06487	5.3
121.10085	0.7
123.08053	0.6
131.04881	0.5
133.10136	0.4
135.04387	2.1
135.08028	11.6
135.11655	0.6
145.06497	2.3
148.05180	1.1
149.05952	9.2
149.09541	0.8
151.11208	0.7
153.05428	1.2
153.09094	0.5
162.23569	0.3
163.07516	15.2
163.11107	0.6
166.07863	0.6
167.06955	0.5
167.14262	0.8
173.05963	1.0
173.13281	0.6
177.05406	0.8
181.08588	0.5
191.07001	100.0
192.07242	1.2
209.08052	45.4
209.15274	4.1
209.18967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
54.05621	0.6
55.05502	4.4
57.07062	2.9
59.04987	1.2
63.72263	0.6
65.03914	0.6
65.36916	0.6
67.05499	6.0
69.03413	2.2
69.07057	14.4
70.10429	0.6
71.04979	1.4
71.80999	0.9
79.05466	3.7
81.07044	16.9
83.04969	21.2
83.08608	2.3
85.02887	0.7
85.06528	0.7
87.53566	0.6
91.05465	7.8
93.07038	11.2
95.04949	3.0
95.08591	19.1
97.06507	5.5
97.10149	1.7
105.07017	14.4
107.08581	12.4
109.06495	5.4
109.10143	7.3
111.08073	1.6
111.11708	0.7
119.08559	10.6
121.10121	5.3
123.08051	81.9
123.11671	5.5
124.08395	1.2
125.09600	1.0
133.10104	19.0
134.10320	0.6
135.08063	1.3
135.11671	2.7
137.09621	2.9
137.13240	4.6
147.08061	0.9
147.11674	14.1
147.97543	0.6
149.13217	5.4
151.11162	11.8
161.13226	4.5
162.88179	0.6
163.14809	2.7
164.11974	1.1
165.12750	4.2
167.26015	0.6
189.12801	0.8
189.16368	17.9
192.04094	0.7
207.06499	16.4
207.08299	1.2
207.10091	1.8
207.17416	100.0
208.17772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	1.1
55.01865	2.4
55.05503	6.8
57.03444	1.4
57.07065	1.3
57.85699	0.7
59.04989	10.7
65.03945	0.9
67.05493	5.6
69.03407	2.4
69.07061	3.1
70.09598	2.7
71.04974	8.0
73.06546	3.0
75.15510	0.6
78.47926	0.6
79.05471	4.9
81.03402	0.7
81.07047	13.0
83.04955	1.5
83.08619	1.3
85.02894	100.0
85.06534	1.7
85.90929	0.7
89.06032	3.8
91.05463	14.1
93.07030	6.6
95.04953	3.4
95.08604	6.9
103.05445	1.7
105.03385	1.0
105.07017	18.8
107.04965	1.1
107.08574	8.0
109.06515	7.7
109.10145	15.5
111.04440	2.2
113.09607	0.7
115.05438	4.4
117.07011	2.1
119.04934	6.9
119.08565	18.0
121.06499	2.2
121.10136	12.8
123.04417	28.5
123.08073	6.0
123.11689	63.8
125.05982	8.3
129.07022	1.8
130.07813	1.2
131.04884	1.1
131.08511	3.6
133.02905	1.0
133.06454	4.5
133.10168	3.4
135.11685	1.0
137.02271	1.1
137.05922	1.2
137.09602	2.2
141.05437	1.5
143.04912	5.1
143.08505	2.4
145.10101	9.0
147.04398	12.3
147.08015	7.1
147.11671	21.1
147.96899	0.7
149.02280	1.0
149.09598	15.2
151.03825	0.8
151.07533	6.3
156.09331	4.1
159.08043	1.7
161.05959	16.0
161.09579	3.7
161.13293	3.4
161.14386	0.7
163.03848	1.1
163.11182	3.0
164.04753	0.9
165.05482	2.6
165.12753	3.7
169.08551	1.1
171.11656	2.9
174.10432	2.5
175.03893	5.4
177.05478	2.4
179.06989	6.1
189.05484	3.6
189.09070	1.7
189.12727	13.5
191.07013	0.9
192.04160	2.8
197.01132	0.9
207.04503	1.0
207.04825	0.5
207.06499	21.4
207.10185	2.7
207.13783	57.6
208.09779	0.9
208.14204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.01854	1.0
55.05501	4.4
55.81585	0.6
57.07069	3.1
57.10605	0.7
61.89089	0.7
63.75567	0.7
67.05492	7.4
67.63578	0.6
68.99794	1.0
69.03427	2.2
69.07058	13.2
70.03422	1.3
70.03828	3.0
71.04980	1.9
79.05470	3.9
79.17949	0.6
81.07043	17.7
83.04967	26.6
83.08609	2.2
85.02921	1.2
85.06525	0.9
91.05455	7.9
93.07029	11.4
95.04952	2.5
95.08593	22.4
97.06507	4.7
97.10168	1.8
105.07018	16.0
107.04975	0.7
107.08582	12.4
109.06501	6.2
109.10124	6.0
111.08069	1.7
117.06951	0.7
119.04942	0.9
119.08562	14.4
121.10118	5.6
123.08051	100.0
123.11656	4.3
124.08418	1.0
125.09611	0.6
131.08536	1.3
133.10110	20.8
135.11653	4.0
137.06004	1.2
137.09593	5.2
137.13246	6.4
145.10133	1.5
146.07225	0.8
147.08014	1.9
147.11674	13.0
149.09593	1.5
149.13211	5.4
151.07535	1.5
151.11153	10.6
159.82744	0.7
161.09596	1.4
161.13245	4.8
163.03903	1.3
163.14796	1.9
164.11919	0.9
165.05487	1.0
165.09109	0.7
165.12767	3.9
171.11667	0.8
179.10628	2.2
189.12746	2.4
189.16348	20.3
191.03336	1.4
192.04132	1.8
192.09348	1.6
207.06494	36.7
207.10004	2.5
207.11760	1.8
207.14090	9.0
207.17409	96.7
208.06772	1.8
208.17700	1.9
209.04353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	5.4
55.01846	1.7
55.05503	8.0
65.03917	0.9
67.05496	30.7
68.99776	1.0
69.03406	1.0
69.07059	6.8
71.04970	1.7
71.20934	2.5
73.06546	2.0
74.51747	0.9
77.03894	1.0
79.05485	48.0
81.03401	2.2
81.07043	24.6
83.04959	4.0
83.08593	3.6
83.82706	0.9
85.06516	3.3
86.72524	0.8
91.05468	53.6
93.07034	100.0
95.04961	18.7
95.08598	12.2
97.06516	2.1
97.10143	1.4
105.04479	2.8
105.07019	26.6
107.04928	1.2
107.08583	11.2
109.06506	5.9
109.10166	2.0
111.08056	1.3
115.05497	0.9
117.07047	4.7
119.04897	1.0
119.08575	13.7
121.06474	3.2
121.10157	4.2
123.08043	4.2
127.07543	1.1
129.06984	12.5
130.07774	1.1
131.08548	1.2
131.61162	0.9
133.06462	1.1
133.10097	6.5
137.09601	1.1
143.08577	5.1
145.10101	10.2
147.01704	0.9
147.04384	2.0
147.08035	1.8
147.11670	52.3
149.09489	0.8
150.04013	0.8
161.05951	1.3
161.09581	4.8
161.13235	11.5
164.04652	1.1
165.09067	0.9
165.12714	1.0
171.11678	25.8
179.07002	1.7
189.12726	13.2
192.04141	2.9
200.81688	1.0
207.06509	36.9
207.10023	1.8
207.13783	35.4
208.06805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02079	1.1
55.01862	2.5
55.05495	3.7
56.21095	0.9
57.07069	2.4
59.04992	2.1
59.49265	1.0
60.41674	1.0
67.05481	4.2
69.03415	4.8
69.07043	2.7
69.65334	9.7
71.04971	3.0
79.05474	7.6
81.03388	2.0
81.07047	39.8
83.04962	3.7
83.08634	1.2
85.02884	2.5
85.06526	7.9
91.05476	10.6
93.07026	11.0
94.20941	1.1
95.04955	8.2
95.08604	15.5
97.02894	1.5
97.06469	1.7
98.97560	1.7
105.07019	22.2
107.08577	57.5
109.06503	17.9
109.10136	2.4
112.28020	1.2
117.07003	1.3
119.04918	2.1
119.08551	14.4
121.06499	3.9
121.10139	14.0
123.04396	1.5
123.08051	26.8
123.11691	7.3
128.06273	1.3
129.07024	1.8
131.08559	9.4
133.06482	5.4
133.10118	3.2
135.08023	3.1
136.08879	2.1
137.05983	1.6
137.09608	4.3
137.13264	2.2
145.10118	4.5
147.04410	2.5
147.08026	4.8
147.11662	30.7
149.02290	1.8
149.09589	38.2
151.07524	100.0
156.09328	3.4
161.05948	1.4
161.09573	2.5
161.13243	6.3
163.11174	2.9
164.04701	1.6
165.09155	1.6
165.12737	24.9
171.11673	6.2
174.10399	1.5
176.88640	1.1
177.00728	1.7
179.07001	1.9
189.09059	3.2
189.12730	17.7
207.06490	15.7
207.10005	1.9
207.11816	3.0
207.13785	57.7
208.06897	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.71384	0.9
53.03935	1.1
55.01846	2.8
55.05505	9.6
57.03423	1.7
57.07062	2.8
59.04980	2.4
65.03898	1.6
67.05502	9.2
69.03430	7.6
69.07046	4.4
70.09037	5.7
71.04992	5.8
79.05479	13.0
81.03419	2.9
81.07045	17.0
83.04513	1.5
83.04971	14.6
83.08620	1.2
85.02894	17.2
85.06532	2.4
91.05466	18.0
93.07033	20.7
95.04976	6.0
95.08594	18.0
97.06509	4.4
98.97555	3.4
99.04406	3.1
103.05453	2.3
105.06345	1.8
105.07020	33.4
107.04943	4.1
107.08582	27.1
109.06516	26.7
109.10165	5.7
111.04398	1.1
111.08086	1.3
113.05975	1.1
116.98634	1.6
117.06998	3.0
119.04933	4.9
119.06901	1.1
119.08568	28.2
121.06516	8.9
121.08398	3.3
121.10124	20.4
123.04408	3.4
123.08058	23.5
123.11700	12.4
125.05965	1.5
128.06166	2.3
129.06973	2.7
131.08533	6.7
133.06474	12.2
133.10127	12.5
135.08020	4.4
135.11674	7.6
136.05168	1.8
137.05980	1.9
137.09599	9.0
137.13235	1.9
143.08527	4.7
145.06499	1.9
145.10114	5.9
146.07230	1.8
146.10915	1.1
147.04395	4.6
147.08051	10.7
147.11670	24.3
148.02406	1.6
149.02330	2.1
149.09601	100.0
150.09990	1.2
151.07538	10.3
151.11166	1.5
156.09322	6.0
156.56946	1.1
158.93401	1.0
158.99619	1.3
159.08040	2.1
159.11665	3.9
160.08742	1.6
161.05957	20.5
161.09590	14.3
161.13231	14.4
163.03966	1.5
163.11172	12.0
164.04637	2.2
165.09088	1.9
165.12752	11.4
170.69496	1.2
171.11673	10.1
174.10420	4.1
175.03899	6.8
177.00693	2.0
177.06683	1.4
177.12741	2.8
179.07002	3.8
179.10783	1.2
179.14281	1.3
186.07268	1.4
189.09100	9.0
189.12724	34.8
190.13147	1.1
192.04144	2.1
207.02969	1.0
207.06503	20.7
207.08313	2.3
207.10191	6.8
207.13789	84.4
208.09760	1.4
208.14148	2.2
228.87511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1013
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
50.53121	0.6
56.49025	0.7
67.05489	1.0
71.48382	1.6
79.05469	1.9
81.07044	1.6
83.04951	1.5
83.60815	0.7
91.05471	3.3
93.07029	1.4
95.08579	1.5
105.07004	7.4
107.04973	0.9
107.08593	0.8
109.06474	2.2
109.10139	1.2
117.06998	1.6
117.63976	0.6
119.08564	3.0
121.06499	1.0
123.08064	2.7
127.03900	1.1
128.06215	3.2
131.04852	0.8
131.08568	1.0
133.06483	1.0
133.10115	8.5
135.08026	2.8
137.05956	9.1
137.09607	1.9
138.06702	2.8
143.08546	5.6
145.06483	1.7
146.07275	4.4
147.08040	5.4
151.03976	0.8
151.06340	1.3
151.07530	24.0
161.06042	0.7
161.09596	13.2
163.07523	3.5
165.05450	6.7
165.06703	0.9
165.09105	21.6
166.09485	0.8
167.07051	0.7
171.08092	3.8
174.06755	6.1
177.05405	0.9
178.06239	1.2
179.10670	10.5
180.80635	0.6
189.09087	55.4
190.09407	1.0
192.07755	4.5
207.06549	2.4
207.10143	100.0
208.10497	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	207.0649
Annotation	Scoparone
Peak:m/z	Relative Intensity
52.43025	0.2
55.01859	0.3
60.79833	0.2
67.01845	0.4
67.05490	0.5
68.99771	1.2
69.03416	0.7
69.49755	1.9
76.33348	0.2
79.05469	0.8
81.03383	0.2
81.07025	0.5
85.06508	0.2
91.05457	1.8
93.07032	0.8
95.04949	0.7
95.08577	0.7
97.06518	0.3
99.04446	0.2
103.05448	0.3
105.03393	0.3
105.07005	1.3
107.04948	0.2
107.08577	0.6
109.02866	0.3
109.06492	0.6
109.10140	0.3
111.04422	0.3
115.05478	0.3
118.04147	0.5
119.04933	0.9
119.08555	1.2
121.02870	0.4
121.06479	0.9
121.10131	0.7
123.04422	2.2
123.08029	0.8
123.11602	0.2
131.08559	0.3
131.54559	0.2
133.06474	0.6
133.10106	0.7
136.05165	0.5
137.09593	0.4
139.03842	0.5
139.07516	0.7
142.27776	0.2
143.08565	0.2
145.10168	0.3
146.03568	0.5
147.04376	0.9
147.08040	0.5
147.11676	0.9
149.02315	0.9
149.06041	0.2
149.09511	0.9
151.07520	1.7
153.01715	0.2
161.05960	2.9
161.09589	0.8
161.13185	0.4
163.03871	2.3
163.11180	0.7
164.04691	1.5
165.01836	1.4
165.05408	1.0
165.09187	0.3
165.12764	0.2
171.11687	0.4
174.03061	0.4
179.06999	1.6
183.06529	0.5
189.05435	0.4
189.09091	1.0
189.12712	0.8
191.03384	2.5
192.04149	6.3
205.04953	1.6
207.06496	100.0
207.13748	2.3
208.06848	1.5
209.04431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	6.1
71.79517	1.7
77.38942	1.9
78.95263	1.7
80.94958	2.7
84.96020	2.5
95.02007	1.2
98.97557	3.2
100.02453	1.6
101.00851	9.7
116.98593	3.0
119.01902	63.3
120.02008	2.5
121.01611	3.2
121.97574	3.1
124.02435	5.3
124.93864	1.8
133.03471	1.5
134.99677	1.6
137.02940	27.0
139.02643	1.4
142.03481	100.0
143.01868	2.4
143.03676	2.0
146.91783	2.2
150.02643	1.7
155.00089	1.7
160.04530	45.3
161.02942	11.7
165.05081	6.0
165.96553	4.0
179.03929	3.4
182.99670	3.5
183.06154	5.0
183.97568	5.7
184.04543	10.5
191.14281	1.7
201.00673	17.5
201.02571	4.2
202.05537	2.9
206.08112	2.3
207.06528	2.9
219.01765	3.9
224.04002	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	206.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
55.05505	2.5
57.07067	0.2
65.70775	0.1
69.03439	0.1
70.12438	0.5
72.23155	0.1
78.03437	0.1
79.04252	0.1
79.05466	0.2
80.05010	2.9
81.03395	0.2
81.07047	0.3
83.08613	0.4
88.02251	0.1
91.05479	0.2
93.07037	0.1
95.08593	0.3
96.04488	2.3
97.02863	0.1
105.03306	0.1
105.07037	0.3
107.08582	0.3
108.04486	0.2
115.96427	0.1
116.05305	0.4
121.06518	0.2
121.10145	0.2
122.03132	0.2
122.06816	0.2
122.10368	0.1
124.03938	100.0
125.04254	1.3
135.08061	0.2
135.11723	0.1
136.08476	0.2
136.12070	0.1
137.05997	0.2
140.03441	0.2
145.10075	0.1
146.10394	0.2
147.04333	0.1
147.11691	0.2
149.02353	0.6
150.02681	0.6
163.11015	0.2
178.13072	0.2
189.14165	0.1
191.14247	0.5
206.04395	0.2
206.08258	0.6
206.11729	11.5
206.16101	0.8
207.06502	3.1
207.12019	0.3
207.13780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03919	1.0
53.90575	0.5
55.05509	3.5
55.12359	0.5
57.07054	1.6
59.01835	0.5
67.05492	4.1
67.76276	0.6
69.07057	9.4
69.45751	6.4
71.08607	0.8
79.05489	6.1
81.07045	37.4
83.08589	1.8
91.05460	4.1
93.07032	31.0
95.08594	13.7
96.07455	0.6
97.10157	2.4
98.21413	1.2
105.07004	2.4
107.07839	0.8
107.08574	15.5
109.07590	0.7
109.10141	11.4
111.11664	1.2
119.08599	0.5
121.10126	100.0
122.10473	1.0
123.11680	5.1
135.11668	10.1
137.13260	0.7
145.10066	0.6
149.13243	20.8
163.14738	2.6
177.31276	0.7
205.19504	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	206.0445
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.96572	0.4
57.89489	0.2
63.59829	0.2
67.25513	0.2
68.77723	0.2
69.75227	0.8
69.75661	0.7
72.08147	0.3
73.29251	0.2
80.94963	0.4
81.03407	0.5
84.08156	0.2
85.02906	0.3
91.05464	0.3
97.02921	0.3
98.03246	0.2
98.09717	0.2
105.03383	2.1
105.07016	0.3
109.02847	0.2
111.08861	0.2
116.05290	0.3
117.64635	0.2
121.97545	0.3
123.96453	0.4
132.04434	2.3
133.02838	0.4
144.10126	0.4
149.02364	0.5
150.02660	0.6
151.03854	0.6
160.03975	1.0
160.09546	0.2
161.01228	0.2
165.96619	0.2
178.04974	100.0
179.05328	2.0
183.97563	0.6
191.14268	0.5
206.04463	49.7
206.15378	0.6
207.04744	1.0
207.13818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(E,S)-alpha-bisabolene
Peak:m/z	Relative Intensity
50.41436	0.5
53.03934	0.9
53.88538	0.6
55.05499	4.9
57.07054	1.6
63.37752	0.5
67.05508	4.9
68.36147	0.5
69.07055	10.6
69.27258	0.5
69.62679	0.7
69.62794	0.8
69.63253	4.5
79.05036	0.6
79.05488	7.0
81.07045	41.2
83.01337	2.1
83.08613	4.9
91.05471	4.6
93.07031	39.2
95.04954	1.4
95.08596	16.0
95.09206	0.8
97.10155	2.4
105.07008	3.6
107.08581	19.4
109.06516	0.7
109.10138	14.8
111.11701	1.5
115.07301	0.5
119.08656	0.8
121.06490	2.1
121.10127	100.0
122.10454	0.8
123.08073	0.8
123.11697	7.7
131.08566	1.1
135.08051	1.5
135.11676	11.2
141.06952	0.6
149.09583	2.2
149.13235	32.5
159.08049	2.0
162.06744	2.1
163.07512	2.6
163.14812	1.7
177.09001	3.7
184.58083	0.5
187.07541	1.1
205.08591	14.1
205.10529	0.8
205.19501	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	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
52.10244	0.5
53.03947	1.6
55.01861	0.5
55.05505	5.5
55.11549	0.5
57.03412	0.8
57.07068	2.2
65.03967	0.7
67.05499	4.9
69.03417	1.2
69.07059	11.3
69.68620	2.4
69.69055	2.1
71.34354	0.5
79.05489	9.7
81.03391	0.7
81.07045	41.8
83.01337	6.1
83.08602	5.4
83.91594	0.6
91.05470	6.9
93.07034	39.4
94.07359	0.6
95.04951	1.9
95.08595	16.1
97.02887	1.4
97.10152	2.6
105.07020	4.9
107.08580	20.6
109.02869	0.6
109.06494	0.7
109.10146	14.0
111.11690	1.6
113.82236	0.6
113.96392	0.9
119.08553	1.5
121.06522	3.1
121.10130	100.0
122.10450	1.5
123.08051	1.3
123.11679	6.9
131.08549	3.1
131.97435	1.1
135.08072	3.7
135.11682	9.9
137.13232	0.6
144.05725	0.6
146.93018	0.6
149.02336	4.9
149.05975	1.6
149.09616	3.2
149.13246	33.5
150.13570	1.3
159.08076	3.2
161.05913	0.9
162.06743	3.8
163.07503	4.5
163.14824	2.5
177.09088	8.1
180.26399	0.6
181.78050	0.5
187.07523	2.3
205.08578	38.8
205.12178	2.6
205.19498	18.0
206.08881	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1947
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03934	0.8
55.05499	5.2
56.22054	0.4
57.07057	1.5
67.05494	4.4
69.07051	9.4
69.91776	1.7
69.92192	1.6
71.08614	0.5
71.40059	0.4
79.05479	7.1
80.21450	0.4
81.07043	39.3
83.08604	2.8
91.05467	4.5
93.07027	32.5
95.04931	1.0
95.08593	14.3
97.10170	2.7
98.10505	0.4
98.20754	0.5
105.07005	3.1
107.08578	16.1
109.10140	10.0
111.11694	1.0
119.08570	0.4
121.10125	100.0
122.10463	1.8
123.08064	1.0
123.10844	0.7
123.11685	6.2
135.11664	9.8
137.13217	0.7
149.13229	24.2
150.13586	0.9
156.63197	0.4
163.14801	1.9
205.19487	13.7
210.33629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67803	0.6
53.03941	0.9
55.05507	5.0
57.07062	1.1
63.85682	0.5
67.05497	4.1
69.07058	10.9
71.08612	0.9
71.13376	0.9
76.25159	0.6
79.05483	6.4
81.07046	38.4
82.07374	0.6
83.08614	3.4
91.05479	2.5
93.07033	28.7
95.04971	0.8
95.08593	15.2
97.10166	2.9
98.48083	0.5
105.07024	3.0
105.07613	0.5
107.08578	16.0
108.08916	0.7
109.10143	12.9
111.11696	1.0
119.08542	0.6
121.10129	100.0
122.10471	1.2
123.11689	5.7
135.11685	10.2
149.02290	0.5
149.13232	27.1
163.14828	1.8
189.28174	0.6
201.15800	0.5
205.08614	0.7
205.19502	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(E,S)-alpha-bisabolene
Peak:m/z	Relative Intensity
55.05496	3.9
57.07069	1.0
67.05491	3.2
68.44186	0.5
69.03410	0.5
69.07056	9.6
70.81231	1.7
71.08617	0.7
79.05487	6.5
81.07045	39.0
83.01315	3.3
83.08607	2.3
91.05475	5.2
93.07032	35.0
93.69430	0.5
95.04961	1.2
95.08593	14.5
97.10147	2.3
98.21375	0.6
105.07024	3.3
107.08584	13.4
109.06468	0.5
109.10133	11.7
111.11680	1.0
119.08585	0.9
121.06477	1.9
121.10125	100.0
122.10465	1.6
123.08050	0.6
123.11699	5.0
125.84797	0.5
131.08559	1.7
135.08022	1.8
135.11681	9.1
137.13255	0.7
149.09589	1.8
149.13239	22.2
159.08040	2.1
162.06689	3.1
163.07524	3.1
163.14838	1.5
167.89079	0.5
175.81883	0.5
177.09097	6.2
187.07530	2.1
190.06180	0.7
205.08568	20.8
205.19479	13.0
206.08855	1.1
228.71613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05287	2.1
55.05501	20.6
57.07068	8.6
66.53525	1.5
67.05211	1.5
67.05502	19.3
69.06693	2.5
69.07056	33.7
69.91033	7.2
69.91454	4.0
71.08603	2.7
73.82286	1.4
79.05470	15.6
81.07046	50.6
83.08609	18.4
91.05459	7.6
93.07030	62.5
95.08591	70.9
97.10148	16.2
105.07038	4.1
107.08581	63.2
109.10140	72.1
111.11684	5.0
119.08560	2.7
121.10125	97.4
122.10401	2.3
123.11683	34.4
135.11678	60.7
137.13289	2.4
149.13235	100.0
163.14790	14.3
205.19499	94.0
206.19830	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
50.85849	1.3
55.05495	2.8
57.07072	7.4
57.22718	1.5
60.04507	1.7
65.03924	2.8
67.05478	2.2
68.04996	1.9
69.03416	5.4
69.07042	4.1
70.35555	6.7
70.55375	1.6
79.05458	4.5
79.05885	1.5
81.03393	1.7
81.07054	12.2
83.01347	7.4
85.02898	3.0
85.04839	1.6
88.02213	3.2
91.05445	5.3
93.07037	14.5
95.08590	4.7
97.02858	8.2
97.10147	2.2
99.04445	1.8
105.07014	4.8
107.08568	13.2
109.02869	4.0
109.10151	7.0
116.05327	3.4
119.08532	3.2
120.66515	1.4
121.02845	4.7
121.06479	6.1
121.10129	25.7
123.08054	1.7
123.11678	4.5
123.96451	2.1
125.05943	2.3
127.03864	1.6
127.05813	2.9
131.08530	5.5
135.08044	12.6
135.11679	6.1
136.08766	3.3
144.09285	2.6
145.10091	1.5
149.02319	54.6
149.09599	19.8
149.13248	12.7
150.02631	1.7
157.06409	1.4
159.08037	5.3
159.11662	8.1
161.09573	3.3
162.06747	5.5
162.10321	3.5
163.07597	6.9
163.09766	1.6
163.11168	3.9
164.09314	2.3
172.08789	5.1
175.07571	8.3
177.09117	11.5
177.12714	9.4
187.05980	1.4
187.07564	4.8
187.11137	10.3
190.09856	24.5
205.08614	40.4
205.12210	100.0
205.13974	3.4
205.19463	6.1
206.12270	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	205.0856
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
52.28980	0.1
53.03939	0.3
53.71404	0.2
54.35129	0.2
54.35700	0.2
54.40117	0.2
55.01870	0.8
55.05507	0.3
57.03434	0.9
57.07068	0.2
58.19667	0.1
60.69745	0.2
63.02405	0.2
65.03925	0.4
67.05505	0.6
69.03418	2.1
69.07063	0.3
69.84519	0.4
69.84940	0.9
75.50044	0.2
79.05484	1.9
81.03421	0.6
81.07061	1.2
83.01330	14.7
85.02900	0.3
91.05467	6.9
93.07028	4.4
93.07583	0.3
95.04950	1.1
95.08614	0.4
97.02914	0.5
97.10205	0.2
103.05478	0.5
105.07010	3.0
107.04951	0.5
107.08582	2.9
109.02885	0.6
109.06487	1.2
109.10149	0.5
115.05428	1.5
116.05434	0.4
116.06225	1.7
117.07021	1.7
119.04919	0.8
119.08565	1.1
121.02893	0.3
121.06494	8.8
121.10123	4.4
123.04405	0.4
123.08034	0.8
127.03864	0.3
129.06990	1.0
131.08551	7.2
133.06477	1.0
133.10135	0.3
134.07256	1.3
135.08041	10.5
135.11613	0.3
137.05965	0.4
141.07005	0.5
144.05690	1.1
145.06496	1.0
146.07288	0.2
147.04373	1.2
148.05197	0.3
149.02321	2.1
149.05954	1.8
149.09604	9.5
149.13251	0.7
153.10864	0.2
159.08034	11.5
160.08485	0.3
161.05934	1.4
161.09531	0.2
162.06741	14.1
163.07527	16.6
164.07896	0.4
177.09088	28.6
178.09436	0.5
182.13655	0.2
187.07518	9.1
188.08086	0.2
190.06285	1.5
205.08575	100.0
205.19495	0.5
206.08879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0857
Annotation	Cladoacetal A
Peak:m/z	Relative Intensity
53.03929	0.3
55.01869	0.8
55.05501	0.2
57.03429	0.7
65.03941	0.3
67.05494	0.6
69.03419	2.4
69.07049	0.2
69.64040	1.2
71.40965	0.1
71.68583	0.1
72.62281	0.1
73.58105	0.1
77.03908	0.2
79.05479	2.3
81.03411	0.4
81.07047	0.9
83.01331	14.4
85.02891	0.5
91.05464	7.4
93.07031	4.2
94.07437	0.1
95.04957	1.0
95.08601	0.5
97.02905	0.2
103.05463	0.5
105.03380	0.2
105.06342	0.2
105.07022	2.8
106.07824	0.3
107.04939	0.7
107.08573	2.6
109.02880	0.4
109.06509	1.2
115.05434	1.4
116.06226	1.8
117.07019	1.8
119.04926	0.7
119.08562	0.6
119.45512	0.2
120.05789	0.1
121.06491	8.7
121.10120	4.5
123.04406	0.3
123.08075	0.9
128.06187	0.2
129.07007	1.2
131.04909	0.2
131.08549	7.7
133.06483	1.1
133.10135	0.3
134.07268	1.3
135.04221	0.2
135.08037	11.5
136.08383	0.2
137.05951	0.2
137.11333	0.1
141.06976	0.6
143.08577	0.2
144.05702	1.0
145.06454	0.9
146.07249	0.4
147.04419	0.8
147.11082	0.2
148.05145	0.5
149.02293	0.2
149.05962	1.8
149.09601	10.8
149.13194	0.4
150.10005	0.2
155.10605	0.1
159.08032	11.9
160.08694	0.2
161.05946	1.6
162.06744	15.4
163.07523	16.2
164.07898	0.2
165.05380	0.2
168.57921	0.2
177.09085	28.3
178.09467	0.5
187.07521	9.8
188.08107	0.2
190.06216	1.8
205.08571	100.0
206.08907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03933	1.2
55.05509	4.7
56.97252	1.1
57.07057	2.7
67.05501	11.7
69.06758	1.1
69.07067	15.5
69.86208	1.1
69.86825	5.4
79.05484	7.6
81.07050	33.3
83.08596	3.6
91.05471	14.4
93.07041	15.4
95.04925	0.9
95.08009	1.5
95.08598	24.8
98.21430	1.8
104.44183	0.9
105.07023	63.7
107.08579	14.4
109.10149	25.8
117.07025	1.8
119.08573	39.2
121.10135	14.3
123.11697	7.9
131.08556	3.1
133.10118	32.9
133.10838	0.7
133.11127	1.1
135.11674	2.9
145.10143	7.7
147.11674	68.9
148.12053	1.3
158.44089	1.0
159.11700	2.3
160.12463	6.6
161.13242	21.6
175.14787	3.7
178.84480	1.1
200.03415	0.9
203.17937	100.0
204.18387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.12730	1.1
55.05509	7.0
57.07054	3.6
67.05492	13.2
69.07063	13.1
69.67102	10.0
79.05486	7.2
81.07047	30.0
83.08586	4.5
91.05463	14.1
93.07041	10.5
95.08005	2.0
95.08596	36.1
95.09203	2.1
97.10145	1.3
98.38012	1.0
105.07019	94.1
106.07348	1.5
107.08578	18.7
108.56744	1.0
109.10138	27.1
117.06998	1.6
119.08565	47.5
121.10133	11.9
123.11669	6.6
131.08560	3.4
133.10120	39.9
133.11150	1.5
135.11668	3.3
145.10130	3.8
147.11673	70.8
159.11659	2.4
160.12407	2.9
161.13242	26.4
175.14803	11.4
193.06184	1.0
203.17937	100.0
204.18263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03934	1.1
53.93470	1.0
55.05501	8.8
57.07066	2.4
67.05497	11.9
69.07056	19.8
69.80203	2.3
69.80626	5.3
79.05461	7.1
81.07044	50.5
83.08607	5.1
88.10631	1.0
91.05463	13.8
93.07029	14.5
95.04914	1.2
95.07996	2.1
95.08592	41.7
105.07013	80.2
107.08575	20.3
109.10139	31.2
117.06965	2.5
119.08562	60.9
121.10130	19.0
123.11687	13.1
131.08542	3.9
132.40808	1.0
133.10109	50.4
135.11661	5.6
145.10063	7.9
147.11664	94.2
148.12006	1.3
159.11690	3.8
160.12466	7.2
161.13231	24.8
161.14528	1.7
174.14061	1.1
175.14822	4.5
188.15688	1.2
203.17924	100.0
204.18185	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05498	6.3
57.07074	1.4
65.03918	0.7
67.05495	13.2
69.07056	14.2
69.79855	5.0
71.05219	0.9
79.05476	11.2
81.06561	0.8
81.07044	31.0
83.08596	4.7
91.05467	12.4
93.07037	14.5
95.08594	43.4
101.56561	0.8
105.07014	36.6
107.08578	30.0
109.10136	35.5
117.07000	1.1
119.08563	29.9
121.10123	16.7
123.11676	10.5
131.08553	1.7
133.10112	30.8
135.11737	3.8
145.10121	3.0
147.11665	57.6
159.11667	1.6
160.12421	2.7
161.13245	16.4
175.14807	5.2
201.55560	0.8
203.17923	100.0
204.18214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05507	4.7
57.07064	5.5
60.04514	1.4
60.57522	1.1
67.05499	12.5
69.07063	13.9
69.75740	6.2
69.76148	1.7
79.05484	4.2
81.07049	29.8
83.08605	5.8
90.40313	0.8
91.05462	11.7
93.07037	11.3
95.08600	34.6
97.10172	1.3
97.38565	0.8
105.07020	100.0
107.08570	14.5
109.10146	22.8
117.07023	1.2
119.08566	50.2
121.10136	12.7
123.11691	8.2
131.08543	3.6
133.10117	56.7
135.11682	2.9
145.10103	6.5
147.11671	69.9
159.11661	2.5
160.12466	2.4
161.13240	19.1
175.14810	14.4
203.17934	83.9
204.08737	0.9
204.18219	1.3
216.04280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05490	4.8
57.07054	1.7
67.05490	10.9
69.06745	1.5
69.07064	18.1
69.67750	10.2
79.05488	9.0
81.07047	29.3
83.08598	2.4
91.05474	13.7
93.07029	15.1
95.08594	22.8
105.07018	50.1
107.08586	17.7
109.10136	24.1
117.06976	1.6
119.08568	41.0
121.10137	13.4
123.11681	6.2
131.08521	2.5
133.10114	36.9
135.11725	2.8
142.66110	1.1
145.10136	8.3
147.11665	75.0
159.11685	2.7
160.12486	6.8
161.13239	24.1
175.14784	3.4
175.57350	1.1
203.17929	100.0
204.18283	2.3
214.21111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.74794	0.8
53.03928	0.9
55.05502	6.6
57.07069	4.9
57.91601	0.8
59.80851	0.9
65.03915	0.8
67.05494	9.7
69.07058	12.4
69.55682	5.0
69.56108	4.0
79.05476	4.0
81.07044	30.4
83.08588	3.8
84.14873	0.9
91.05473	10.4
93.07030	10.3
95.04939	0.8
95.08590	34.0
97.39912	1.0
98.20739	1.7
105.07014	100.0
107.08585	13.4
109.10140	22.0
117.06962	1.4
119.08564	45.8
121.10118	11.7
123.11722	6.2
131.08577	1.0
133.10114	56.7
135.11662	3.6
145.10075	3.0
147.11667	64.2
159.11659	2.2
160.12447	2.5
161.13243	18.5
175.14798	16.5
203.17928	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
54.33803	0.8
55.05504	6.9
55.81738	0.7
57.07055	2.1
58.59777	0.7
60.04519	4.5
63.45822	0.9
67.05495	9.9
69.07062	17.4
69.62405	3.8
69.62836	3.7
79.05483	7.8
81.07047	59.8
83.08615	4.6
84.04475	1.1
91.05474	14.1
93.07039	12.7
95.04964	1.2
95.08009	1.7
95.08600	32.9
96.04444	1.1
96.95647	0.8
97.10093	1.5
98.21542	0.9
105.07018	51.9
107.07905	1.3
107.08583	16.5
109.10139	24.7
117.06973	2.2
119.08563	37.7
121.10132	15.6
123.11694	8.4
124.87851	0.7
126.05516	1.0
131.08546	4.1
133.04836	1.1
133.10110	34.8
135.11671	4.1
144.09254	0.8
145.10110	8.6
147.11670	89.2
147.60361	0.8
148.12010	1.6
159.11687	3.0
160.12494	6.2
161.13245	19.7
175.14783	4.6
203.07069	1.3
203.17932	100.0
204.08714	1.0
204.13675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03938	1.0
53.94113	0.9
55.05503	7.9
57.07068	5.7
58.47133	0.9
60.04504	4.2
60.17631	1.0
62.52652	1.0
66.74886	0.9
67.05503	9.9
69.06760	1.2
69.07063	13.0
69.39809	1.0
71.08649	1.1
74.98656	0.9
79.05472	4.7
81.07047	26.0
82.99356	1.1
83.08601	3.6
91.05458	12.8
93.07032	12.4
95.08595	36.6
97.10123	1.6
98.21461	2.7
105.07014	99.7
106.07291	1.2
107.08579	15.0
109.10147	25.3
117.06942	1.2
119.08561	55.1
121.10118	17.1
123.11684	9.5
131.08556	4.6
132.09271	1.2
133.10115	61.9
135.11687	3.5
145.10094	4.7
147.11670	71.8
148.11937	1.3
159.11665	3.3
160.12431	2.7
161.13248	24.9
175.14809	14.0
191.73364	1.0
203.06900	1.1
203.17932	100.0
204.08528	2.2
204.13831	1.2
204.18250	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.03943	0.8
55.05497	7.3
57.07062	1.3
60.04524	0.8
67.05497	11.9
69.06694	1.5
69.07058	22.1
71.08628	0.7
71.81182	1.0
79.05482	8.6
81.07043	31.4
83.08618	4.3
91.05467	18.7
93.07031	19.2
95.04956	1.1
95.08591	22.3
97.10160	1.1
105.07014	57.1
107.07851	0.9
107.08574	18.0
109.10139	24.9
117.07005	2.3
118.07829	0.8
119.08561	35.8
121.10117	14.0
123.11695	5.0
131.08540	4.3
132.09372	1.0
133.10109	41.5
134.10541	0.7
135.11604	3.2
145.10097	11.0
146.10768	0.9
147.11664	86.7
148.11969	1.1
152.71521	0.7
159.11646	3.4
160.12453	10.3
161.05989	0.9
161.13232	25.1
175.07588	1.5
175.14780	3.4
193.94450	0.7
203.07100	3.2
203.17924	100.0
204.18272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03932	1.1
55.01881	1.0
55.05502	5.6
57.07050	2.3
60.04503	1.1
65.03922	0.9
67.05493	11.8
67.58713	0.8
69.06693	0.8
69.07057	15.6
78.54443	0.8
79.05476	8.1
80.66709	0.8
81.07043	57.2
83.08598	2.7
84.04486	1.5
91.04926	1.0
91.05470	15.9
93.06492	1.3
93.07031	13.3
95.04950	1.0
95.08593	31.1
97.10145	1.5
103.05460	1.4
105.07011	53.0
107.04967	1.0
107.08580	16.6
109.10139	24.8
114.05527	1.4
116.82471	1.0
117.06998	2.5
119.08567	44.8
120.96451	0.8
121.06474	4.9
121.10123	13.1
123.08065	1.1
123.11697	8.3
126.05486	2.3
129.06953	1.3
131.08534	3.4
133.06453	1.1
133.10109	38.7
135.08032	3.5
135.11658	3.6
145.10127	7.4
146.10866	1.0
147.04311	0.8
147.08018	2.0
147.11664	79.4
148.12090	1.0
155.72331	0.8
156.96199	0.9
159.11659	3.0
160.12477	6.9
161.05992	2.4
161.13235	20.1
166.98848	0.9
175.07516	5.7
175.14836	5.0
203.06990	13.3
203.10542	1.5
203.17926	100.0
204.08508	1.2
204.18245	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	202.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29773	0.7
53.03929	1.3
55.01883	0.6
55.05499	7.3
56.05029	17.4
58.99577	24.7
67.05528	0.8
68.05015	1.3
69.07056	1.2
70.06585	1.0
70.86247	2.4
74.00661	2.3
76.02225	6.9
79.05482	34.0
81.07044	19.9
82.06567	6.3
84.69588	0.7
85.01117	100.0
86.00642	12.4
86.99039	14.7
88.02206	3.0
88.03974	2.2
91.05423	0.8
93.07051	0.8
94.06547	1.4
95.04964	1.4
96.08136	1.6
97.01118	1.6
97.06510	0.8
97.08887	7.4
98.09680	31.1
105.00082	6.5
105.07008	1.1
109.10170	0.7
109.97659	0.6
110.09657	1.6
110.96175	0.6
113.04213	49.3
114.09145	0.9
120.01165	2.9
122.09631	2.1
123.91035	0.7
131.01668	0.9
131.08562	0.8
132.01131	16.5
134.02626	0.9
138.09149	0.8
139.05743	1.6
145.10074	1.2
146.10507	2.3
156.08394	8.8
157.10089	1.1
159.04723	1.7
159.11624	0.7
160.12091	1.6
185.06297	11.0
202.08948	27.8
202.10553	1.0
202.16713	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01868	3.3
55.05505	6.2
57.03429	2.4
60.04232	1.5
60.04519	22.7
60.79078	0.9
65.03934	2.9
67.05495	38.9
68.05023	1.6
69.03429	3.6
69.07061	3.1
71.04980	2.5
71.79129	1.7
73.02881	1.2
79.05484	50.2
81.07041	21.0
81.07483	1.4
83.04964	9.9
83.08631	2.0
84.04510	3.4
84.08173	1.3
85.02891	2.3
85.06518	1.1
86.09709	2.2
87.04465	1.3
91.05479	9.4
93.03390	4.7
93.07032	6.3
95.04942	1.8
95.08611	3.5
96.04491	4.0
97.02888	4.3
97.06529	1.6
97.10164	2.3
98.06065	1.1
98.59428	0.9
99.04481	1.2
99.08070	1.1
105.07027	8.7
107.04939	1.8
107.08581	100.0
109.06532	3.3
109.10142	15.9
111.04426	57.3
111.08046	2.0
114.05560	3.7
115.05428	2.0
117.07017	5.6
119.08546	6.0
120.96532	1.6
121.06551	1.3
121.10149	2.8
121.96634	2.8
123.08035	1.3
125.06017	2.7
125.09599	11.3
126.05508	5.2
127.03900	1.2
128.06226	1.7
129.05453	2.0
129.07011	2.6
130.06511	41.0
131.08563	1.6
132.83127	1.0
133.06497	1.2
133.10138	3.6
135.08035	13.3
138.05554	1.2
139.11194	1.8
142.07758	2.8
143.08586	1.5
147.04427	2.4
147.08066	1.1
147.11679	5.4
153.09084	69.1
156.06757	1.2
157.07591	85.9
157.10208	4.2
158.06001	1.3
158.08182	1.6
159.11755	1.8
161.05992	1.6
161.09653	3.1
167.10716	2.3
168.06596	1.4
171.10149	19.3
175.03987	1.9
175.07561	2.0
175.11275	2.0
185.07149	3.1
185.09665	2.0
185.11705	1.4
185.13223	1.8
186.05678	1.0
188.85176	1.2
203.03413	3.7
203.08200	60.3
203.10699	8.2
203.12552	2.0
203.14444	3.1
203.18045	4.7
204.08673	9.3
204.13916	3.9
224.10530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1634
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05495	0.3
57.07069	3.8
59.93108	0.4
67.05490	0.8
71.08245	0.4
71.08621	5.2
71.81789	0.5
72.60823	0.3
79.05467	0.4
81.07042	0.8
91.05484	2.4
93.07016	0.4
95.08572	0.4
105.07017	8.8
107.08585	0.5
109.10135	0.4
112.30080	0.3
113.06081	0.4
115.05418	0.8
116.06185	0.4
117.06996	4.9
118.96752	1.7
119.08542	1.5
121.10136	0.4
127.03878	0.5
128.06155	0.7
129.06972	1.4
130.07776	4.3
131.08545	9.4
133.10112	0.6
137.05949	0.4
137.45410	0.4
142.07663	0.4
142.08656	0.4
143.08557	1.8
144.09311	1.6
145.10103	100.0
146.10454	2.4
153.06895	0.3
154.96416	0.8
155.08514	0.4
156.10178	0.6
157.10103	1.0
158.07239	0.4
159.08070	0.4
159.11673	16.7
160.12010	0.4
173.09619	1.2
173.13210	0.8
177.98058	2.0
200.99654	0.5
201.05347	0.7
201.09106	5.3
201.12613	1.0
201.16362	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86751	0.4
56.96545	0.6
57.07051	0.7
70.78132	1.6
70.78488	0.7
80.45471	0.5
82.99861	1.6
90.92326	0.6
98.97559	1.5
100.02463	0.7
100.97189	0.8
100.97977	0.6
101.00866	12.8
101.38246	0.5
101.95020	3.3
114.95638	1.9
116.98611	1.8
118.03505	1.3
119.01907	100.0
119.28493	0.5
119.96045	0.9
120.01957	2.4
124.02454	1.7
132.96687	2.2
134.99611	1.2
136.99226	0.8
137.02943	49.5
137.97084	0.7
138.03072	1.6
142.03488	38.1
143.01921	0.8
143.03598	1.2
160.04536	20.9
160.98688	0.8
161.02943	22.9
165.05113	1.1
178.05589	1.7
178.95972	1.5
178.98317	1.0
179.03998	54.4
180.04120	1.3
183.06148	0.5
184.04547	2.4
202.05585	4.0
204.91037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05503	1.4
57.03410	0.2
57.07061	0.6
67.05505	1.6
69.07067	1.2
69.07360	0.2
71.04967	0.6
71.08607	0.7
71.81838	0.2
79.05490	1.4
81.03397	0.2
81.07042	3.8
83.08609	0.5
85.02895	0.2
85.06512	0.7
91.05467	2.9
93.07047	1.8
95.08593	2.7
99.08078	0.3
103.05422	0.4
105.03341	0.2
105.07009	5.2
107.04965	0.2
107.08585	2.9
109.06489	0.4
109.10130	1.0
115.05418	1.8
116.06174	0.3
117.07004	3.9
118.96732	0.7
119.08569	2.4
121.10133	1.8
123.04378	0.6
123.11697	2.0
127.03873	0.4
128.06175	0.9
129.06987	2.4
130.02589	0.2
130.07782	1.3
131.04906	0.4
131.08553	6.5
133.10106	1.3
133.99077	0.3
136.91647	0.2
137.13168	0.2
139.05513	0.2
140.06195	2.0
141.06982	0.5
142.07733	0.4
143.04982	0.2
143.08560	1.1
144.05693	0.2
144.09355	0.4
145.06471	1.9
145.10101	15.4
147.04333	0.4
147.11656	0.9
153.06966	3.4
154.07735	1.3
154.96428	0.3
155.04944	0.4
155.08528	11.7
155.14272	2.7
157.06516	0.3
157.10062	0.4
158.07254	1.6
158.10883	0.5
159.04366	0.2
159.08023	0.4
159.11676	6.1
160.05182	3.6
161.05972	0.6
165.05565	0.4
165.06984	1.3
165.12733	0.7
167.80791	0.2
168.05678	3.4
169.06468	0.8
171.04337	0.4
173.05965	5.6
173.09576	1.9
173.13203	1.7
174.06590	0.3
177.98055	0.9
183.06441	0.3
183.08020	3.6
183.13820	0.7
184.08745	0.4
185.05925	1.0
186.06735	12.9
201.09081	100.0
201.16350	12.2
202.09366	2.4
222.55318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05501	0.3
57.03428	0.3
57.07067	4.3
58.07409	0.3
62.25166	0.2
67.05495	0.7
69.07047	0.5
70.01622	1.3
71.08626	4.8
72.00179	0.2
74.06059	0.3
78.01514	0.2
79.38546	0.2
80.18796	0.2
81.07035	0.6
83.08591	0.2
86.18486	0.2
88.07621	0.9
89.07976	0.4
91.05462	2.4
93.07021	0.5
95.08592	0.5
98.20758	0.3
102.09177	0.5
103.05489	0.2
103.69489	0.2
105.07016	9.5
107.08574	0.6
109.10144	0.3
115.05418	0.5
116.06190	0.3
117.07009	4.7
118.96759	0.7
119.08564	1.4
121.10098	0.2
127.03911	0.4
128.06171	0.6
129.06958	1.5
130.07779	4.2
131.08557	10.5
133.10080	0.7
137.05957	0.3
141.06975	0.2
142.07753	0.5
143.08553	2.8
144.09343	1.2
145.10107	100.0
146.10442	2.4
154.96460	0.2
155.08565	0.5
156.10237	0.3
157.10098	1.5
158.10902	0.4
159.11679	18.1
160.11983	0.5
173.09604	0.9
173.13239	1.2
177.98044	0.9
201.09065	2.9
201.12726	1.0
201.16368	15.5
201.20412	6.4
202.16714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93048	0.4
54.98632	0.9
56.96556	14.7
57.03430	0.9
61.02900	0.5
69.03431	0.7
69.71088	0.6
69.71495	3.3
71.95254	1.6
73.02895	1.0
74.97598	0.4
77.82152	0.4
79.63594	0.5
83.97625	1.3
84.04508	0.4
84.96012	0.7
85.02887	1.2
87.30304	0.6
97.02885	1.2
98.97569	100.0
110.97550	1.0
116.98603	88.3
119.01875	1.0
128.00119	0.5
128.98628	1.2
131.01872	0.7
133.68433	0.5
134.99640	55.1
135.99982	0.5
140.00160	5.4
140.98561	1.3
146.01230	0.5
146.99692	0.7
153.00682	9.9
158.01234	19.6
158.99648	3.9
161.02885	0.7
170.99654	0.7
176.02284	12.9
177.00697	7.8
177.02321	0.8
181.02940	0.6
194.03351	0.6
195.01759	5.0
200.02264	1.7
200.04008	0.8
201.00594	0.6
218.03305	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0908
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
55.01854	0.6
55.05503	1.4
57.03410	0.2
57.07061	0.6
67.05505	1.6
69.07067	1.2
69.07360	0.2
71.04967	0.6
71.08607	0.7
71.81838	0.2
79.05490	1.4
81.03397	0.2
81.07042	3.8
83.08609	0.5
85.02895	0.2
85.06512	0.7
91.05467	2.9
93.07047	1.8
95.08593	2.7
99.08078	0.3
103.05422	0.4
105.03341	0.2
105.07009	5.2
107.04965	0.2
107.08585	2.9
109.06489	0.4
109.10130	1.0
115.05418	1.8
116.06174	0.3
117.07004	3.9
118.96732	0.7
119.08569	2.4
121.10133	1.8
123.04378	0.6
123.11697	2.0
127.03873	0.4
128.06175	0.9
129.06987	2.4
130.02589	0.2
130.07782	1.3
131.04906	0.4
131.08553	6.5
133.10106	1.3
133.99077	0.3
136.91647	0.2
137.13168	0.2
139.05513	0.2
140.06195	2.0
141.06982	0.5
142.07733	0.4
143.04982	0.2
143.08560	1.1
144.05693	0.2
144.09355	0.4
145.06471	1.9
145.10101	15.4
147.04333	0.4
147.11656	0.9
153.06966	3.4
154.07735	1.3
154.96428	0.3
155.04944	0.4
155.08528	11.7
155.14272	2.7
157.06516	0.3
157.10062	0.4
158.07254	1.6
158.10883	0.5
159.04366	0.2
159.08023	0.4
159.11676	6.1
160.05182	3.6
161.05972	0.6
165.05565	0.4
165.06984	1.3
165.12733	0.7
167.80791	0.2
168.05678	3.4
169.06468	0.8
171.04337	0.4
173.05965	5.6
173.09576	1.9
173.13203	1.7
174.06590	0.3
177.98055	0.9
183.06441	0.3
183.08020	3.6
183.13820	0.7
184.08745	0.4
185.05925	1.0
186.06735	12.9
201.09081	100.0
201.16350	12.2
202.09366	2.4
222.55318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.7
56.96557	18.3
57.07057	0.6
57.36162	0.4
57.97343	0.4
67.05492	0.5
70.06587	0.4
70.18475	2.3
71.95253	1.8
73.02922	0.7
75.18565	0.4
75.60021	0.4
84.96011	0.5
85.02900	0.9
85.91233	0.4
94.78951	0.4
98.20695	0.5
98.97569	100.0
99.97866	0.5
100.04000	0.5
102.05564	0.4
110.01251	0.5
110.97596	0.6
115.00683	1.9
116.98605	93.1
118.96743	0.4
119.01861	2.2
128.02295	0.7
128.98598	0.8
131.01892	1.6
133.01704	1.4
133.03357	0.5
134.26544	0.5
134.99638	58.7
136.06210	0.8
137.02861	1.1
137.05852	0.4
140.00182	2.5
149.02962	1.0
153.00684	10.9
154.03522	0.8
158.01225	7.5
158.99608	2.7
174.06186	0.5
175.02774	0.5
176.02271	2.5
177.00716	7.8
177.02303	1.0
177.37759	0.5
177.97919	0.5
195.01784	5.2
195.03491	0.7
200.04037	1.5
200.09276	0.5
204.22812	0.4
218.05063	0.5
219.01649	1.0
219.03561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1326
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01833	0.6
55.05499	1.5
57.07063	1.2
59.05001	0.7
61.02903	0.6
67.05489	1.4
69.03410	0.6
69.07063	3.7
70.81509	1.2
71.04969	0.7
72.04501	0.9
74.09704	3.3
79.05479	2.9
81.07042	2.2
81.94542	0.5
83.04967	0.7
83.08598	1.5
84.08916	0.8
91.05470	1.7
93.07033	9.6
95.08598	4.2
97.02858	0.5
97.06493	1.2
98.97589	0.5
100.07597	1.6
104.45718	0.5
105.07016	5.8
107.04853	0.5
107.08574	7.2
108.62879	0.5
109.10168	0.7
111.04409	1.1
111.11687	1.1
116.97197	2.2
116.98595	0.5
119.08577	2.2
121.10126	100.0
122.10471	1.4
123.08051	2.1
125.05952	1.2
128.06177	0.5
129.07050	0.8
131.99559	0.9
135.11679	10.8
139.07504	1.8
139.11174	1.1
142.07751	0.7
143.08527	1.2
145.10135	1.2
149.79491	0.5
152.96942	0.7
153.05447	0.8
153.06885	0.9
157.10104	1.7
163.03964	0.7
163.11163	6.4
171.11621	0.8
172.94012	0.6
175.98541	2.8
181.04984	1.1
181.12216	23.8
199.07526	1.4
199.11249	0.7
199.13185	0.9
199.14842	3.1
199.18881	13.7
200.20071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01868	5.6
55.05502	10.0
57.03424	8.1
57.07053	2.3
59.04992	2.4
65.03924	1.3
67.05499	9.8
69.03406	5.2
69.07061	14.5
70.37878	4.4
71.04981	24.8
72.04483	1.9
74.09706	16.1
75.71314	1.1
75.78831	1.4
79.05481	15.8
81.03433	2.2
81.07043	28.2
83.04972	4.0
83.08600	4.0
84.08962	1.5
85.06534	4.7
86.09683	1.3
87.23277	1.4
91.05471	9.6
93.07027	51.9
94.07355	1.9
95.04963	9.3
95.08614	6.6
97.06512	6.8
97.10155	1.5
98.97588	4.0
100.07607	4.4
101.06033	2.2
105.07012	11.5
107.08584	17.8
109.06507	18.6
109.10140	2.9
111.04405	7.5
111.08080	6.6
111.11717	3.3
116.97217	12.7
116.98602	3.0
117.06988	5.6
119.08567	15.4
121.06492	6.3
121.10126	66.0
122.10461	1.5
123.04464	5.7
123.08053	15.6
125.05994	1.3
125.09649	2.5
127.07526	10.5
130.07776	2.7
131.99551	3.7
132.04523	1.4
133.06451	1.6
134.99654	2.3
135.08022	7.1
135.11662	11.0
137.09602	1.3
139.03885	3.0
139.07524	12.3
139.11150	9.3
140.04694	2.1
142.07780	1.1
143.04813	1.8
143.08557	3.5
145.10103	37.3
148.96140	1.5
152.96973	5.4
153.09087	2.6
153.12709	4.0
157.10091	4.5
163.07504	2.3
163.11160	97.1
164.07169	1.3
164.11548	2.6
167.03426	1.6
171.04323	1.5
171.11661	1.8
175.98508	12.0
181.08681	4.6
181.12206	100.0
182.08206	2.0
182.12598	2.5
199.03917	3.9
199.06007	4.3
199.07607	1.8
199.09567	1.7
199.11378	1.6
199.13307	13.6
199.14871	4.8
199.18878	63.9
200.07094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24899	0.3
55.05489	1.6
57.07056	0.7
58.79956	0.3
67.05514	0.5
69.03419	30.9
69.07050	3.3
69.64413	3.5
71.04973	0.6
72.04501	0.7
74.09708	4.4
79.05492	0.4
81.07043	1.0
83.04990	0.4
83.08590	1.0
84.08952	0.6
85.02909	0.4
85.06519	0.6
85.36861	0.4
91.05460	0.4
93.07025	1.1
95.04962	0.6
95.08606	0.8
96.08907	0.3
97.02877	100.0
97.06508	0.7
97.10145	0.4
98.03206	0.9
98.97536	0.5
100.07614	1.3
103.40513	0.3
105.06996	0.5
107.08557	1.0
111.04427	1.1
111.11713	1.0
115.03911	1.5
116.97198	2.3
117.10222	0.3
119.08513	0.5
121.02843	0.5
121.10128	3.6
123.04453	0.4
125.05993	0.4
125.09613	0.5
128.06186	0.8
129.06979	0.4
131.99503	0.4
135.11679	0.6
139.03879	4.5
140.04686	0.5
142.07753	0.7
143.08563	2.2
151.03938	0.4
151.32942	0.3
152.96944	0.6
153.05553	0.3
153.06963	0.4
156.09308	0.4
157.04927	1.8
157.10086	2.0
171.08025	0.7
171.11682	1.0
175.98514	2.6
181.04959	1.4
181.08595	0.4
181.12244	1.3
182.08148	0.4
199.05978	0.6
199.07584	1.9
199.11331	0.7
199.13248	0.6
199.14897	3.3
199.18878	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0962
Annotation	Curvulide A
Peak:m/z	Relative Intensity
53.03931	1.7
55.01865	0.5
55.05290	0.5
55.05504	6.7
55.66580	0.5
57.03180	0.9
57.03429	13.1
57.07066	30.5
58.07386	0.6
65.03922	1.0
67.05504	3.2
69.03064	1.0
69.03419	17.4
69.07056	6.0
69.95609	3.5
71.04964	0.9
73.06528	1.0
74.09327	0.5
74.09708	7.1
79.05486	4.2
81.07037	3.4
81.17229	0.5
83.01329	5.3
83.04974	3.8
83.08601	2.6
85.06529	5.5
91.05466	2.8
93.07047	2.7
93.07538	0.6
94.54802	0.5
95.04935	1.3
95.08586	0.9
95.86578	0.5
97.02879	55.1
97.06512	7.4
97.10156	2.4
98.03197	0.9
98.20654	0.6
100.07595	2.4
101.02363	1.0
105.07004	1.1
107.04927	0.6
107.07923	0.8
107.08581	9.2
108.08850	0.5
109.06512	1.2
109.10117	1.2
111.04435	6.5
111.08076	6.1
111.11737	0.8
113.02325	1.4
115.03928	2.8
116.97185	2.9
117.07008	0.5
121.06487	0.6
125.02344	1.0
125.05958	3.2
125.09615	16.5
131.99544	0.7
135.08038	4.0
135.92435	0.5
139.03864	2.2
139.07475	1.9
141.01804	0.7
143.08524	0.7
152.96962	0.6
153.09068	3.4
157.08589	0.7
157.10091	1.6
163.07498	1.3
171.10118	1.7
175.98492	2.3
181.08572	8.6
199.09625	100.0
199.14761	1.9
199.18872	25.5
199.20773	0.8
200.09967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03932	2.3
55.01854	3.3
55.05244	1.7
55.05501	28.7
57.03436	4.7
57.07060	4.4
59.04969	1.2
65.03912	1.1
67.05494	33.0
67.28556	1.0
69.03413	2.1
69.07056	29.9
70.95249	1.3
70.95875	7.8
71.01343	26.8
71.04984	14.4
72.93774	3.1
73.06548	1.1
78.86198	0.8
79.05481	18.5
81.07043	75.9
83.04965	7.2
83.08604	24.3
85.02900	1.2
85.06534	15.3
85.10165	1.6
87.04436	1.4
88.96870	1.7
91.05464	21.7
93.07031	24.4
95.04945	4.3
95.08590	100.0
97.06515	23.8
97.10148	10.1
99.04404	1.2
99.08062	4.6
105.07013	26.7
106.27697	0.9
107.08577	17.9
109.06506	8.3
109.10146	16.4
111.08072	7.2
111.48399	0.9
111.98469	7.4
113.05993	3.0
113.09586	1.4
115.07529	1.8
117.06977	1.0
119.08562	42.2
121.06508	1.3
121.10123	12.7
123.04345	1.0
123.08056	9.4
123.11670	1.7
125.06032	0.8
125.09624	3.6
127.07528	2.0
127.11174	1.2
129.99516	3.4
130.65521	1.0
132.95813	11.9
133.02776	0.9
133.10114	31.5
135.11668	24.4
137.05943	2.0
137.09602	5.1
137.13229	26.3
139.07538	2.6
141.05418	1.1
141.09099	2.2
145.21107	1.0
150.96861	26.2
151.03868	2.0
151.11189	2.3
151.14751	1.7
153.01016	1.1
155.08600	1.3
155.10652	21.1
155.97383	11.0
157.45651	0.9
161.09579	3.9
161.13231	74.4
162.13585	1.0
164.49850	1.0
165.05441	1.3
173.97137	0.7
173.98456	21.4
173.99860	1.6
179.07018	2.3
179.08540	4.3
179.10725	9.1
179.14284	47.2
181.53766	0.9
197.00098	1.4
197.04277	1.0
197.08011	3.6
197.11713	16.6
197.13264	1.6
197.15321	14.7
198.18506	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	197.1533
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03917	1.8
55.01859	1.5
55.05499	30.1
57.03416	4.8
57.07058	4.0
63.22530	1.0
65.03916	1.6
67.05488	32.6
69.03398	1.6
69.07056	26.4
70.25719	5.4
70.95843	2.8
71.04654	1.2
71.04982	11.9
72.93774	1.3
73.06526	2.0
79.05477	16.8
81.07039	77.3
83.04960	6.8
83.08601	21.7
85.06524	12.2
87.04510	1.1
91.05465	18.8
93.07023	26.9
95.04958	3.7
95.08588	100.0
96.08901	1.9
96.82172	1.0
97.06509	18.7
97.10152	10.3
99.08089	5.4
100.07571	1.4
101.05972	1.8
105.07008	27.2
107.08569	14.1
109.06505	6.1
109.10131	6.5
111.08052	4.2
111.98449	3.4
113.09618	2.2
115.07581	2.3
119.08561	41.0
121.10127	13.6
123.04419	1.0
123.08048	10.7
123.11710	1.0
127.07482	2.3
129.99478	2.5
132.95787	5.0
133.06509	1.0
133.10103	30.4
135.11667	24.3
137.05936	1.6
137.09587	4.3
137.13223	27.8
141.05515	1.4
141.09094	1.6
150.96851	8.1
151.07533	2.9
151.11102	1.7
151.14778	1.5
155.97394	2.7
161.13229	80.9
162.13570	1.7
173.98448	6.8
179.07031	5.5
179.10699	2.5
179.14276	46.3
180.14648	1.5
197.06169	1.0
197.08052	4.1
197.11737	2.5
197.15338	12.2
198.18497	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	1.9
55.05503	24.8
56.16543	0.6
57.03423	5.2
57.07059	2.6
61.90244	0.7
65.03934	1.0
67.05498	27.6
68.72787	0.7
69.06692	1.6
69.07062	29.6
69.64306	2.0
69.64713	4.5
70.95881	0.9
71.04982	9.7
73.06547	1.6
79.05483	17.3
81.07047	74.6
83.04976	6.5
83.08614	20.0
85.06526	11.9
91.04930	1.3
91.05469	17.4
93.07034	20.5
95.04948	2.8
95.08595	100.0
96.08929	0.9
97.06525	22.6
97.10153	10.9
99.08089	5.3
101.06001	2.3
105.06343	1.6
105.07021	27.1
107.08578	12.5
109.06504	5.6
109.10157	6.7
111.08109	4.6
111.98438	1.1
113.09631	1.3
115.07549	3.4
117.07013	1.3
119.08570	41.1
120.08846	0.9
121.10124	14.9
123.08054	8.0
123.11694	1.5
127.07548	2.7
132.09280	0.7
132.95799	2.1
133.10112	29.6
135.10654	0.8
135.11685	25.9
137.09613	3.9
137.13240	28.9
141.09055	2.2
150.96883	3.0
151.11156	1.6
151.14786	1.2
151.40324	0.8
155.97377	1.0
161.13239	89.3
162.13580	2.0
173.98444	3.2
179.14293	55.1
180.14613	1.0
197.11717	1.6
197.15341	13.7
198.18503	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	197.1533
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03922	4.3
55.01852	4.2
55.05502	25.1
57.03411	4.7
57.07056	6.1
59.04987	1.8
61.17406	1.1
67.05496	35.7
69.03398	2.5
69.07058	29.0
70.42789	1.6
70.43130	6.1
70.95852	17.1
71.04984	18.6
72.93783	7.1
73.08498	1.3
79.05476	18.5
79.39705	1.3
81.07044	77.1
83.04964	7.6
83.08607	22.3
85.02866	1.7
85.06531	20.6
85.67531	1.4
88.96902	1.9
90.94802	2.6
91.05473	25.8
93.07031	25.3
94.04139	1.5
94.25558	1.3
95.04951	6.7
95.08593	100.0
96.08939	1.6
97.06517	27.8
97.10148	10.2
99.08078	7.7
105.03381	1.8
105.07014	25.3
107.08578	17.6
109.06503	14.6
109.10139	15.4
111.07356	1.3
111.08032	7.1
111.98462	16.5
113.05959	2.5
113.96373	3.2
114.94785	1.4
115.07535	1.9
119.04913	1.4
119.08561	37.5
121.06489	2.1
121.10139	10.0
123.04342	1.8
123.08067	11.2
123.11633	2.2
125.09618	2.0
127.07541	2.5
129.99486	11.5
131.97411	2.3
132.95818	24.0
133.02814	2.6
133.10107	38.1
134.05957	1.6
135.11676	23.1
137.05954	15.0
137.09613	7.9
137.13239	15.3
141.09146	1.9
149.23972	1.3
150.96860	47.7
151.03838	2.0
151.07527	3.2
151.11143	8.0
155.97400	21.0
161.09583	4.1
161.13243	55.2
165.05432	6.6
168.97946	2.6
173.98456	42.7
179.06995	4.5
179.10661	15.7
179.14291	30.5
181.66142	1.4
196.99988	3.0
197.06128	2.1
197.08026	7.4
197.11739	8.1
197.13393	2.5
197.15298	20.1
198.18503	55.4
202.54982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03943	1.0
55.01864	1.0
55.05502	4.7
57.07072	1.3
59.04996	2.7
65.03905	0.8
67.05499	4.8
69.03419	0.9
69.07064	3.3
70.95846	1.8
71.04973	1.4
71.15200	1.6
72.38420	0.7
72.93773	1.2
76.03934	0.7
79.05492	5.5
81.07052	6.8
83.04961	1.5
83.08610	1.2
85.06540	2.2
91.05467	13.4
93.07031	20.7
95.04952	8.3
95.08598	3.7
97.06531	1.1
105.07020	24.6
107.04958	0.7
107.08582	61.5
108.08959	0.8
109.06506	6.3
109.10151	6.0
111.04469	0.7
111.08064	1.5
111.98486	1.9
113.06014	1.9
114.81338	0.6
115.05406	0.6
117.07014	0.7
119.04937	1.4
119.08575	8.0
121.06493	6.4
121.10141	1.2
123.04406	5.1
123.08061	1.1
123.11659	3.2
125.09571	0.8
125.23004	0.5
129.99525	1.1
131.08522	2.3
132.95828	3.2
133.10115	61.8
134.10460	1.4
135.08044	1.5
135.11678	53.6
136.12018	1.2
137.05981	3.6
137.09610	4.9
146.07253	1.2
150.96860	6.0
151.03885	1.0
151.07538	2.4
151.11160	5.8
155.97435	3.2
161.05937	0.8
161.09610	29.3
165.05479	1.8
170.15393	1.4
173.98451	5.7
179.07217	6.4
179.10654	100.0
180.10988	2.5
182.10867	0.7
188.04395	0.7
190.18143	0.7
197.08116	3.5
197.11711	95.0
198.12021	2.8
198.16721	1.3
198.18512	22.3
199.65099	0.7
210.77411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Phenol A
Peak:m/z	Relative Intensity
53.03932	3.6
55.01868	7.1
55.05502	6.9
55.93525	0.9
57.03422	1.5
57.07065	1.8
59.04992	1.6
67.05495	7.5
68.99783	2.0
69.03407	3.2
69.07059	2.7
70.07887	1.4
70.08301	2.7
70.95850	10.5
71.04984	1.4
71.08646	0.8
72.93781	4.9
73.02908	0.8
77.03904	0.9
79.05482	9.0
80.19681	0.6
81.03396	1.0
81.07043	19.6
83.04978	2.3
83.08613	2.1
85.02882	0.7
85.06528	1.8
88.96888	2.5
90.94803	1.7
91.05463	12.7
93.07032	17.6
95.04958	13.1
95.08585	5.8
96.03043	0.6
97.02861	1.2
97.06518	2.2
97.10205	0.9
99.04440	2.9
105.03378	100.0
105.07013	15.6
105.48723	0.6
106.03711	0.9
107.08578	30.6
109.06503	19.9
109.10139	6.8
111.04424	1.0
111.08052	1.4
111.98463	9.7
113.05988	1.8
113.96378	1.2
114.94785	0.6
119.04937	1.8
119.08577	5.5
121.06475	4.8
121.10127	1.6
123.04401	4.9
123.08061	3.9
123.11707	4.2
123.75547	0.7
125.05970	12.6
125.09589	1.4
127.03903	4.9
129.99484	8.5
131.08566	1.6
131.14899	0.7
132.95819	16.3
133.06514	0.9
133.10106	34.6
135.08057	0.7
135.11674	25.5
137.05963	11.9
137.09587	4.6
139.07526	23.9
141.05504	0.8
141.06963	1.0
143.08572	1.0
150.96870	35.3
151.03888	2.9
151.07562	2.2
151.11172	7.9
151.97011	0.7
153.09123	1.4
155.97392	14.7
161.09596	16.9
165.05428	1.0
168.97971	1.3
173.98460	30.7
174.98611	1.2
179.07076	9.1
179.10648	52.4
180.10985	1.0
197.00092	2.8
197.06071	1.0
197.08022	2.2
197.11702	46.1
197.13065	1.8
198.18512	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
53.03929	1.9
55.01862	6.9
55.05499	6.3
64.34637	0.7
65.03924	1.6
67.01847	1.1
67.05495	22.6
69.03423	1.9
69.04635	0.8
69.91872	5.0
70.95866	4.4
71.04963	0.8
72.93762	1.7
79.05478	6.6
80.53356	0.7
81.03397	0.9
81.07033	3.6
83.01331	29.7
83.04932	0.8
88.96870	1.2
91.05463	3.9
93.07037	1.9
95.04958	22.1
95.08596	11.7
98.21384	0.9
101.02345	2.3
103.05444	2.4
104.77211	0.8
105.03391	1.9
105.06345	1.4
105.07019	21.8
107.04929	1.2
107.08566	2.7
107.15389	0.9
108.05717	1.2
109.02884	1.8
109.06502	4.6
109.10108	1.7
111.98460	4.2
113.05964	1.2
115.05395	3.9
117.06985	1.9
120.11917	0.7
123.04430	4.2
123.08055	60.5
127.03954	1.0
129.99461	2.2
132.95828	5.0
133.06467	14.5
133.10109	2.2
135.11667	2.1
137.05960	6.7
141.05460	17.3
150.96895	12.4
151.03932	1.5
151.07526	48.3
152.07841	1.3
155.97383	4.8
161.05960	4.4
161.09593	1.1
165.05458	1.5
173.98474	9.5
179.07013	100.0
179.10555	3.2
197.06187	2.4
197.08064	59.7
197.11763	3.3
197.13257	1.5
198.08409	1.2
198.18559	5.5
205.26746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	Decarestrictin F
Peak:m/z	Relative Intensity
50.05645	0.6
53.01398	0.6
53.03927	2.4
55.01854	0.9
55.05489	1.6
57.03415	2.5
57.07059	3.3
62.14708	0.6
63.15949	0.6
67.05499	4.1
68.99774	2.5
69.03414	0.9
69.07057	1.4
70.95851	7.5
71.04625	0.9
71.04984	11.5
71.18414	0.6
71.18763	1.4
72.93775	2.9
79.05489	2.0
81.03390	0.9
81.07047	4.2
83.04968	1.6
83.08541	0.7
85.02882	0.8
85.06526	4.6
88.96883	2.2
90.94812	0.6
91.05466	4.5
93.07028	7.1
95.04946	9.8
95.08607	3.2
97.02876	0.9
97.06521	1.5
99.04443	0.8
103.05436	0.6
105.03331	0.7
105.07017	8.9
107.04979	1.1
107.07856	0.8
107.08578	16.5
109.02872	0.8
109.06499	6.6
109.10144	3.7
111.00770	1.2
111.04456	1.1
111.08084	2.8
111.98455	6.3
113.05994	20.7
113.96391	0.8
119.04944	1.1
119.08559	4.5
121.06467	2.1
122.03609	0.8
123.04414	48.8
123.08025	1.4
123.11666	1.5
125.05930	0.8
127.03866	2.9
129.48454	0.5
129.99518	4.4
132.95805	8.0
133.02872	0.6
133.06474	3.1
133.10104	17.5
135.11674	14.9
137.05968	4.1
137.09615	3.4
137.13177	0.9
139.03883	25.4
141.05493	0.7
141.06934	0.9
150.03084	1.0
150.96875	21.3
151.03839	3.5
151.07523	14.1
151.08728	0.7
151.11137	2.2
153.01860	0.8
153.05440	1.9
155.03368	24.6
155.07005	2.2
155.97411	9.2
161.05928	2.9
161.09596	8.5
165.05399	0.8
168.72371	0.5
168.97946	0.9
170.97009	0.6
173.98470	18.0
179.07016	49.2
179.10623	26.7
179.14175	1.1
180.07455	0.9
197.00075	2.0
197.08064	100.0
197.11700	28.2
198.08453	1.4
198.18524	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	197.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03935	3.3
55.01857	0.3
55.05488	0.3
57.03433	1.5
67.05486	0.4
70.95852	0.8
71.67625	0.5
77.03918	0.7
79.05473	3.6
81.03382	0.2
81.07044	0.9
89.11568	0.2
91.05482	0.8
93.07043	1.3
95.04956	7.0
95.08588	0.6
105.03377	100.0
105.06985	1.3
106.03745	1.1
107.08571	3.0
109.06508	0.9
109.10149	0.6
111.98467	0.8
113.96397	0.3
119.08590	0.6
123.04419	3.8
123.08031	0.2
123.11709	0.3
125.05933	0.4
129.99516	0.4
132.95811	1.6
133.10110	3.0
135.11674	2.9
137.05965	0.6
137.09564	0.4
139.07492	0.8
150.96884	2.3
151.04012	0.3
151.11157	0.3
155.97464	1.3
161.09601	1.6
161.13187	0.3
173.98476	2.3
179.07022	5.0
179.10652	5.2
197.11671	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	197.0807
Annotation	Stagonolide H
Peak:m/z	Relative Intensity
53.03942	3.8
55.05509	0.7
57.03439	0.7
57.07073	0.7
67.00601	0.5
67.05496	4.4
68.98032	0.4
68.99778	5.0
69.07072	0.8
69.86116	1.8
69.86532	1.4
71.04981	4.6
71.27265	0.4
72.42902	0.4
79.05468	0.5
81.07043	0.5
83.04998	0.7
85.06535	5.1
87.20142	0.4
91.05464	1.2
93.07028	1.5
93.21346	0.4
95.04356	0.7
95.04953	11.7
95.05528	0.8
95.08571	0.5
98.88352	0.6
104.16426	0.4
105.07003	4.1
109.06507	16.4
111.04431	1.8
111.08068	11.0
113.05994	42.6
115.05485	2.2
123.04417	31.3
123.08047	1.4
127.03896	2.1
133.06490	4.2
136.05190	0.5
137.05957	2.9
139.03918	1.7
143.04942	0.5
150.96855	0.5
151.07526	43.7
152.07846	1.0
155.07019	6.3
161.05968	19.5
164.04683	3.9
179.07014	100.0
180.07391	1.3
197.08066	42.1
198.08360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
51.24377	0.1
53.03940	3.0
54.08561	0.1
55.01860	0.4
55.05496	0.5
57.03434	1.0
57.07058	0.2
60.02842	0.2
63.66185	0.1
64.50768	0.2
67.05492	0.6
69.03408	0.2
69.07041	0.3
70.95850	2.6
71.04972	0.3
71.78891	0.1
71.79295	0.2
72.93777	1.5
77.03913	0.5
77.57549	0.1
79.05479	3.5
81.03403	0.4
81.07043	1.4
83.04965	0.2
85.06506	0.2
88.96887	0.6
90.94800	0.2
91.05461	1.0
93.07021	1.3
95.04955	6.8
95.08577	1.5
97.06516	0.9
99.04420	0.2
105.03376	100.0
105.06979	1.6
106.03693	1.3
107.08574	2.9
109.06505	0.8
109.10114	1.0
111.04453	0.2
111.08092	0.2
111.98466	2.6
113.96385	0.3
118.68016	0.1
119.04974	0.2
119.08542	1.4
121.06516	0.3
121.10130	0.6
123.04408	3.3
123.08038	0.8
123.11678	0.2
125.05924	0.2
125.09580	0.2
129.99510	1.6
132.95813	3.5
133.10109	3.2
135.11668	2.8
137.05949	0.6
137.06905	0.1
137.09546	0.7
137.13187	0.2
139.07541	0.3
143.81067	0.2
150.96861	7.5
151.03882	0.3
151.07594	0.2
151.11176	0.6
152.06999	0.2
155.10732	0.2
155.97406	3.7
161.09589	1.4
161.13208	0.9
168.97926	0.2
173.98471	7.0
179.07013	5.3
179.10629	4.6
179.14211	1.0
197.00133	0.5
197.05908	0.4
197.07951	0.3
197.11687	3.9
197.15411	0.4
198.18486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
51.02375	1.1
51.36748	0.5
53.03932	1.3
55.01854	1.6
55.05503	0.9
55.93504	0.8
56.96539	1.3
65.03928	1.9
67.05477	1.6
69.03406	1.2
70.44306	1.8
70.44727	1.3
70.95853	16.2
72.93777	8.0
77.03918	4.5
79.05489	7.1
81.03395	1.1
81.07045	7.4
84.89538	0.7
85.02918	0.7
88.96901	4.1
90.94825	1.9
91.05470	32.9
92.05790	0.8
94.04191	5.6
95.04960	6.5
95.08585	1.7
97.02923	0.7
98.20812	0.7
98.97584	0.8
103.36353	0.6
105.03380	21.5
105.07022	1.7
107.04932	4.4
107.08584	1.6
109.05742	1.4
109.06503	27.0
110.06932	0.6
111.98458	17.5
111.99206	1.2
113.53834	0.7
113.96400	2.1
119.04939	9.5
122.03639	6.7
123.04424	2.6
123.08051	0.7
129.99501	11.0
130.28590	0.6
131.97406	0.8
132.95821	21.8
133.02835	100.0
133.10127	2.0
134.03174	1.8
135.04382	4.3
135.11688	0.9
137.05960	67.2
138.06277	0.9
139.07524	0.6
147.04420	3.0
147.05435	0.7
150.96870	50.9
151.03885	3.0
151.07487	1.8
153.01106	1.1
153.05438	1.5
155.97400	21.9
161.05980	3.6
163.03883	1.4
165.05457	48.0
166.05867	0.6
167.07011	3.3
168.97929	1.4
173.98476	45.2
174.98703	0.8
179.07011	10.1
179.10555	3.0
182.05670	0.8
197.00090	1.8
197.08043	7.2
197.11765	2.9
198.18542	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	197.0806
Annotation	Curvulide B2
Peak:m/z	Relative Intensity
55.01865	0.6
59.73507	0.3
67.05496	0.2
68.99773	1.5
69.03406	0.3
70.95855	1.9
71.05064	0.9
72.93763	0.8
73.02897	1.1
79.05468	0.6
81.07031	0.5
82.08396	0.2
88.96882	0.4
91.05467	2.1
93.07019	0.8
95.04957	0.7
95.08577	0.5
97.06487	0.3
103.05415	0.3
105.03348	0.6
105.07027	3.3
107.08598	0.4
107.95982	0.2
108.30686	0.3
109.06494	1.1
109.10136	0.4
111.04460	0.4
111.08075	0.4
111.98454	1.7
115.05438	3.9
119.04930	0.3
123.04416	6.4
123.08053	0.7
125.05958	0.6
129.99498	1.0
132.95816	2.9
133.02812	0.4
133.06474	4.9
133.10109	0.7
137.02310	1.2
137.05954	2.0
143.04890	0.7
149.05983	0.4
150.96883	4.7
151.03888	4.8
151.05037	0.4
151.07501	2.3
151.11205	0.3
155.97404	2.2
161.05954	37.5
162.06282	0.8
163.03874	0.6
164.04668	2.7
165.05492	0.4
173.98445	4.1
178.73979	0.3
179.07004	100.0
180.07362	1.8
196.99951	0.4
197.08061	16.6
198.18477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01857	3.6
55.05505	4.4
56.96559	100.0
57.03424	18.4
57.07067	14.6
57.25354	1.9
59.33260	2.3
61.02914	17.7
65.03925	6.5
67.05500	28.5
69.03422	27.0
70.95849	7.6
71.04973	5.2
71.79175	2.4
73.02909	26.9
74.97603	6.5
77.00819	2.5
81.03411	6.2
83.00774	5.9
83.04967	13.2
84.01568	2.7
84.96016	5.4
85.02896	25.4
87.04435	4.7
88.96928	2.3
89.00765	6.0
90.01554	7.5
91.00568	2.3
91.05466	3.9
92.01305	4.4
93.03405	9.2
95.01922	2.2
95.04959	18.6
95.05996	2.3
96.01550	5.7
97.02884	23.5
98.01293	16.2
98.97570	62.6
99.02089	2.3
99.04438	16.2
101.00801	7.8
102.01530	6.3
103.02358	8.1
104.01272	5.1
105.02058	7.1
106.01020	4.4
107.01814	5.8
107.04928	4.7
109.02881	18.3
109.06506	3.6
109.76707	2.2
110.01254	24.3
110.07164	3.2
110.97542	11.8
111.00229	9.3
111.02040	12.4
111.04436	7.4
111.98443	5.4
112.02847	4.1
113.02380	7.0
113.05966	2.4
115.00678	3.0
115.02326	3.6
116.01253	6.4
116.98606	40.8
119.01820	65.4
119.04924	2.4
119.51987	2.4
120.00751	10.2
120.02557	6.9
120.03368	3.7
121.01625	3.8
121.02852	4.0
123.01157	4.0
124.02818	2.6
124.99116	3.3
125.01785	18.3
127.02293	2.8
127.03886	16.4
127.04724	2.4
128.01366	4.7
128.02304	72.6
128.52480	2.7
128.98592	16.7
129.03923	3.7
129.99458	2.5
130.02820	4.7
130.52632	2.7
131.00209	4.0
131.01842	11.8
132.01945	4.4
132.95822	8.3
134.00496	7.3
134.02281	18.2
134.99660	20.0
135.03032	3.2
137.02831	40.6
137.52960	3.1
138.02539	7.2
138.05507	9.6
139.03897	6.7
139.53091	8.7
140.02298	3.6
140.98618	2.8
142.03448	11.4
143.00117	5.1
143.01897	4.2
143.02817	3.3
144.98055	3.6
145.03368	7.0
146.99629	17.5
147.01390	2.7
150.96924	14.5
151.03854	10.0
151.04906	2.6
152.02277	4.1
152.06947	5.0
154.02058	3.2
155.97430	7.2
157.01740	3.5
157.03383	2.7
158.99660	12.4
159.03217	4.1
160.04539	3.2
161.01190	14.8
161.02870	5.4
161.07047	3.8
162.03488	3.3
162.99164	5.6
163.02576	4.2
165.00935	5.0
167.02992	2.9
169.01675	6.0
170.99652	4.8
171.05042	2.9
173.01297	4.0
173.02931	6.5
173.98460	18.8
174.01828	2.3
174.03192	4.5
174.06059	10.8
174.99136	7.7
175.02776	5.5
175.04414	2.8
177.00742	17.2
177.04195	6.2
179.02454	4.0
179.08218	6.5
180.06387	3.5
185.01242	3.1
186.04643	9.0
187.02783	10.1
187.04424	2.5
188.03268	4.0
189.00732	11.5
191.02232	3.7
193.00218	13.9
193.01793	2.7
195.01799	2.7
197.09166	2.6
201.00696	6.1
203.02229	5.7
207.01814	3.5
213.00783	3.3
219.01746	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	195.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88973	1.4
53.03931	2.0
55.01860	2.7
55.05499	28.0
55.68564	1.4
57.03423	4.2
57.07069	18.3
59.04983	3.3
65.03954	1.6
67.05495	22.2
69.03417	2.4
69.07060	41.1
71.04984	8.9
71.08616	2.5
71.12869	3.4
71.13237	2.9
79.05477	27.8
81.03431	2.1
81.07043	78.1
83.04996	3.8
83.08607	19.7
85.06109	1.8
85.06518	10.5
89.03908	7.2
89.06016	3.2
91.05466	9.8
91.05964	1.6
93.06434	2.4
93.07028	50.1
95.04969	5.6
95.08594	93.1
97.06517	6.0
97.10163	20.8
99.08092	16.1
103.05429	1.6
105.04573	1.5
105.06996	7.9
107.04955	6.8
107.08578	72.3
109.06517	4.4
109.10137	34.0
111.08061	5.5
111.11696	5.2
113.09616	4.2
117.03371	10.5
119.08559	2.3
121.06499	2.3
121.10123	85.9
122.10423	1.6
123.11684	21.2
125.09615	6.7
131.08427	1.9
131.96156	3.0
133.10123	2.9
135.04411	5.3
135.08069	3.7
135.11665	26.7
137.13245	16.8
139.03951	1.9
139.11203	6.2
145.02840	26.4
148.97356	3.0
149.05972	8.5
149.09618	3.6
149.13252	8.8
149.97198	6.7
151.03990	1.6
151.14809	4.4
153.01811	40.6
154.97841	1.9
163.03880	12.9
167.07008	2.5
171.98985	1.7
172.98882	1.5
177.05452	39.3
177.09138	2.0
177.16364	100.0
178.16785	1.6
195.02881	4.5
195.06516	7.8
195.08006	1.7
195.10210	3.6
195.13776	2.0
195.15726	3.2
195.17432	40.8
195.19209	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	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03925	2.0
53.54535	0.7
55.01852	2.6
55.05503	12.2
55.41697	0.8
57.03431	3.7
57.07063	6.9
59.04995	4.7
65.03920	1.8
67.05148	1.6
67.05493	22.3
69.03419	6.9
69.06696	1.2
69.07057	20.6
69.89722	4.6
71.04982	8.0
71.08612	1.5
78.76646	0.7
79.05476	15.8
81.03407	1.6
81.07043	49.9
82.07343	0.9
83.04971	8.0
83.08611	9.9
85.02892	3.6
85.06531	6.8
87.04479	0.8
89.03893	3.2
89.06023	1.3
91.05461	10.6
93.07029	40.0
95.04963	5.2
95.08591	65.3
97.06509	6.1
97.10156	6.1
98.77225	0.7
99.08064	8.0
103.05431	1.2
105.07023	6.9
107.04942	5.4
107.08576	53.1
108.08810	1.0
109.06490	4.6
109.10140	23.7
111.04418	1.2
111.08057	5.5
111.11691	2.8
113.09630	2.2
117.03363	6.3
117.06979	2.1
119.08556	11.6
120.20525	0.7
121.06501	5.3
121.10124	43.8
122.10426	0.9
123.08081	1.6
123.11688	7.8
125.05987	1.0
125.09635	4.5
129.07002	0.9
130.96259	0.9
131.08551	4.4
133.10103	8.5
134.03607	0.9
135.04407	3.3
135.08028	15.0
135.11673	42.4
137.09593	100.0
137.13197	7.0
138.09927	2.2
139.07536	3.3
139.11143	2.6
142.68866	0.7
144.09329	1.6
145.02827	10.6
148.97272	1.9
149.05994	4.6
149.09576	1.3
149.13229	14.1
149.97179	1.6
151.11105	0.9
151.14772	3.1
153.09076	1.1
153.12718	2.6
159.11662	15.6
162.10387	1.1
163.03886	6.3
163.07570	1.7
167.07001	1.2
171.98988	1.3
177.05449	15.4
177.09174	1.2
177.12741	30.0
177.16353	40.2
178.16719	0.9
195.02847	8.5
195.06520	3.2
195.08095	0.7
195.10161	2.2
195.13794	19.7
195.15730	1.8
195.17430	14.7
212.97963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03935	1.7
55.05503	25.2
57.03414	3.6
57.06848	0.9
57.07065	12.3
59.04975	3.1
62.21130	0.9
65.03920	1.1
67.05496	22.0
69.03415	1.5
69.07061	40.7
70.08462	2.9
70.08875	1.9
71.04984	8.6
71.08594	3.3
77.03914	1.3
79.05019	1.4
79.05479	20.2
81.07045	76.4
83.04980	1.9
83.08607	19.3
85.06526	11.2
85.10165	1.9
89.03849	1.1
91.05478	7.0
93.07035	44.3
95.04956	2.1
95.08593	94.4
96.08900	1.1
97.06493	4.1
97.10159	17.0
98.21371	1.5
99.08088	10.6
99.08704	1.8
105.07010	5.8
107.04938	1.9
107.08578	58.8
109.06480	1.4
109.10140	35.6
111.08041	4.5
111.11716	7.5
112.08556	0.8
113.09625	3.9
117.03372	2.2
119.08557	1.9
121.10128	78.5
122.10375	1.2
123.08024	1.2
123.11691	23.6
125.09623	4.5
135.08086	0.9
135.11670	23.7
137.13231	14.4
139.11159	8.5
145.02847	4.4
149.02316	1.1
149.05942	1.5
149.13229	6.1
151.14786	5.6
153.12668	1.0
163.03783	2.3
167.25786	0.8
174.53922	1.0
177.05438	5.7
177.16360	100.0
178.16689	1.7
195.02853	1.6
195.17421	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.50536	0.9
53.03936	2.2
55.01862	2.8
55.05276	1.3
55.05507	11.2
55.45579	0.9
57.03415	2.5
57.07071	0.9
65.03941	4.3
67.05497	98.8
69.03422	1.9
69.07055	14.7
69.71196	4.2
69.71626	3.0
71.04980	8.7
71.96752	0.8
73.02908	1.4
79.05482	34.7
79.05944	1.7
81.03413	4.4
81.07047	100.0
83.04974	8.0
83.08621	10.3
84.08134	2.2
85.02898	1.2
85.06532	5.6
87.04434	1.1
89.03894	2.8
89.06004	1.8
91.05468	23.7
93.07035	59.1
94.07339	1.2
95.04955	8.1
95.08595	36.8
97.06513	16.0
97.10167	2.1
98.20817	1.9
99.04476	1.6
99.08080	3.9
105.06448	1.1
105.07027	11.7
107.04957	5.3
107.08578	27.4
109.06516	3.9
109.10107	5.3
111.08064	8.1
113.05989	1.8
113.09648	0.9
113.96355	1.0
117.03365	6.1
117.06997	13.7
119.08540	2.3
121.06488	4.2
121.10114	12.5
123.08050	0.9
123.11684	2.0
125.09615	1.1
127.99951	0.9
129.06958	1.0
130.96342	1.5
131.08551	15.5
131.96158	1.1
133.10114	20.0
133.11057	1.7
135.04401	3.1
135.08049	3.4
135.11678	36.2
137.13272	1.0
139.03964	0.9
145.02837	12.8
147.11682	1.2
148.97301	1.5
149.05954	4.0
149.09560	2.4
149.13245	42.1
149.97165	1.6
150.09088	1.4
151.11183	6.5
153.09140	1.3
153.97844	1.1
159.11682	34.1
160.12039	1.0
163.03888	6.1
167.08507	1.7
171.99063	0.9
177.05450	19.8
177.12727	22.9
177.16325	6.8
195.02956	2.6
195.06618	1.8
195.08176	1.7
195.13797	30.0
195.15607	2.2
195.17470	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	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	2.9
55.05505	7.1
57.03425	5.9
57.07061	2.1
59.04982	2.7
65.03922	3.9
67.05495	52.4
68.99769	1.1
69.03420	4.2
69.07057	9.6
69.47445	4.8
69.47876	3.4
71.04988	7.1
71.13194	0.8
73.02870	0.8
77.03888	1.1
78.04671	0.8
79.05486	26.6
81.03417	2.8
81.07045	100.0
82.07367	1.2
83.04978	7.2
83.08607	3.6
84.08131	1.5
85.02898	8.9
85.06528	5.4
87.04462	0.9
89.03910	5.0
89.06007	2.3
91.05471	14.4
93.07034	46.9
95.04964	6.7
95.08595	52.0
97.06531	9.0
99.04448	1.4
99.08085	3.6
101.06017	0.8
103.05465	2.1
105.04539	1.0
105.07011	8.7
107.04954	9.7
107.08582	31.7
109.02863	1.3
109.06509	5.1
109.10139	9.9
111.04430	1.8
111.08080	5.2
113.05966	1.7
113.09617	0.9
115.07577	0.8
117.03367	9.6
117.06988	6.7
119.08563	8.0
121.02795	1.3
121.06493	8.9
121.10126	17.1
123.08067	1.6
125.02344	1.0
125.06026	1.7
125.09631	1.7
131.08554	10.3
131.96098	2.2
133.10129	15.0
134.03627	1.3
135.04404	4.2
135.08058	13.1
135.11676	52.5
136.07584	0.9
136.12056	1.3
137.09599	48.3
139.07538	2.4
139.11151	1.1
144.09328	1.2
145.02835	19.8
147.11723	0.9
148.97382	2.3
149.05949	8.1
149.09601	9.3
149.13239	24.7
149.97227	1.5
151.03917	1.1
151.07602	1.2
151.11221	0.9
153.05385	1.0
153.09064	0.8
153.12695	1.7
159.11684	24.6
163.03899	7.9
163.07553	2.5
167.07022	3.1
171.02858	1.1
171.98871	1.6
177.05447	28.2
177.09114	1.8
177.11157	1.5
177.12738	30.1
177.16360	6.4
195.02870	16.1
195.06769	4.2
195.08167	1.7
195.09944	4.0
195.13777	22.4
195.15596	1.1
195.17447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	3.5
55.01849	3.1
55.05500	11.9
57.03421	2.5
57.07067	9.0
59.04988	1.8
60.59299	0.8
61.02897	1.8
65.03920	1.5
67.05489	16.0
68.96303	1.5
68.99781	2.1
69.03405	3.1
69.07053	12.7
69.92818	2.1
69.93231	4.1
71.04976	4.9
71.08610	1.1
73.06557	1.2
79.05478	57.0
81.03380	2.5
81.07041	67.8
82.07378	1.2
83.04518	1.2
83.04967	17.9
83.08599	3.8
84.08125	1.7
85.06525	4.5
89.03899	8.2
89.06003	3.9
91.05464	13.0
93.03378	1.2
93.07030	72.7
94.07326	1.1
95.04934	7.1
95.08015	1.7
95.08590	25.3
97.06513	16.7
97.10148	1.2
97.28529	1.0
99.04412	1.1
99.08079	1.7
101.06036	4.7
105.07006	8.4
106.04152	1.4
107.04939	24.0
107.08576	44.1
109.02923	1.0
109.06493	2.9
109.10120	4.1
109.98950	2.2
111.04402	2.8
111.08053	3.9
117.03364	15.7
117.06995	3.5
119.04906	0.9
119.08557	4.2
121.06508	7.4
121.10121	19.0
123.04426	2.0
123.08038	1.8
123.11674	1.8
125.05976	12.1
125.09563	1.8
130.96257	2.3
131.08513	4.9
131.96101	1.8
133.02811	2.1
133.10117	13.4
134.03603	2.4
135.04411	9.0
135.08044	9.0
135.11673	100.0
136.11978	2.8
137.05887	1.9
137.09589	1.0
138.06627	1.3
139.03870	2.8
139.07509	8.2
145.02823	31.5
146.03180	0.9
148.97343	5.9
149.02274	2.1
149.05960	11.9
149.09592	4.0
149.13216	17.8
149.97179	5.0
151.03874	1.5
151.11098	1.1
152.06236	1.8
153.05447	2.2
153.09068	5.8
153.12744	2.8
153.97876	2.4
154.97736	1.9
159.11690	11.0
162.03078	1.0
163.03886	22.5
163.07532	3.3
167.07007	5.1
167.08582	2.6
167.14261	2.3
168.10146	1.6
171.98952	3.8
172.98804	2.3
177.05441	49.7
177.09036	4.7
177.12712	23.2
177.16248	4.8
178.05957	1.4
195.02878	6.1
195.06450	9.0
195.08102	9.0
195.10083	8.1
195.11855	2.2
195.13794	23.6
195.15665	2.6
195.17366	1.9
196.16870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	0.8
55.01861	0.9
55.05490	1.2
57.07054	0.8
58.30500	0.3
66.91962	0.3
67.05483	1.1
69.03407	0.7
69.07041	0.7
70.84256	0.7
70.84660	0.8
73.06544	0.7
75.04469	2.6
75.25849	0.4
79.05478	6.2
79.99971	0.3
81.03422	0.7
81.06619	0.4
81.07034	2.2
82.06561	0.5
83.04961	0.5
89.03886	1.1
89.06022	1.3
91.05459	3.4
93.07028	21.8
94.07371	0.5
95.04957	1.8
95.08567	0.8
103.05466	0.8
105.07015	9.5
106.07815	0.4
107.04957	0.5
107.08576	16.1
108.08915	0.6
109.06496	1.2
111.08071	0.7
116.12999	0.3
117.02602	0.5
117.03353	2.8
117.07009	0.5
119.08559	5.8
121.10126	100.0
122.10464	2.2
122.11182	0.4
123.08073	3.4
128.49713	0.4
130.96341	0.4
131.96147	0.5
133.02824	0.6
133.07616	0.9
133.10110	0.5
134.03636	0.4
135.04408	0.9
135.11673	35.0
136.11974	0.9
145.02811	5.4
145.10072	1.2
148.97318	0.6
149.05959	2.3
149.09509	0.4
149.13365	0.4
149.97191	0.8
163.03876	9.3
163.11156	9.0
165.06914	0.6
171.98994	0.5
172.98865	0.5
177.05443	8.1
177.09044	0.4
177.12801	0.5
177.16296	0.8
180.09209	0.5
189.03738	0.4
195.02875	0.7
195.06532	1.5
195.08144	0.4
195.10072	0.9
195.11786	0.8
195.13786	4.4
195.15581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.80429	1.0
53.03934	3.8
53.58988	1.2
53.91152	1.0
55.01855	2.8
55.05241	1.1
55.05505	14.6
55.21955	1.2
57.03431	8.9
57.07059	2.0
57.42892	0.9
65.03930	2.8
67.05499	86.1
68.96291	1.1
68.99787	1.1
69.03424	2.7
69.07060	17.1
71.04998	6.9
71.79778	1.4
72.93770	0.9
73.02905	1.1
79.05486	35.7
81.03397	6.9
81.07048	100.0
82.06577	2.1
82.07393	1.2
83.01337	1.0
83.04968	9.1
83.08265	0.9
83.08623	9.9
83.69436	1.1
85.02880	2.2
85.06529	5.4
87.04406	1.1
89.03918	10.3
89.06023	4.8
91.05475	24.3
93.07036	66.3
95.04959	11.1
95.08011	2.2
95.08596	38.3
97.06519	17.2
97.10155	2.1
99.08077	3.1
103.05503	1.5
105.07010	12.0
107.04959	5.9
107.07918	1.9
107.08586	27.6
109.06550	5.1
109.10148	3.9
109.98921	1.6
111.04471	1.6
111.08069	7.4
113.06017	1.8
113.09645	1.1
113.96371	1.3
117.03372	18.9
117.07003	12.2
118.03696	1.0
119.08593	2.9
121.06508	7.7
121.10121	9.9
123.04449	1.5
123.08063	17.2
123.11685	2.1
124.05150	1.0
125.06045	1.1
125.09584	2.1
127.07545	1.2
127.43051	1.1
129.64514	0.9
130.96346	1.3
131.08546	16.8
131.96132	2.7
133.02837	2.8
133.08554	1.6
133.10117	17.3
134.03644	3.1
135.04419	9.4
135.08055	7.7
135.11687	34.4
137.09627	1.7
139.03908	1.7
139.07535	1.2
144.09366	1.1
145.01697	2.1
145.02824	37.8
146.03207	1.4
148.97318	3.8
149.05956	13.3
149.09575	4.5
149.13246	39.4
149.97176	5.6
151.11209	5.3
153.01846	2.2
153.09088	1.5
153.97836	2.2
154.97726	1.1
159.11679	31.3
163.03896	58.7
163.07520	2.3
164.04248	2.4
165.06908	1.4
167.07011	3.5
168.10181	2.0
171.98927	3.5
172.98819	3.3
177.05458	68.7
177.09029	2.0
177.12717	23.6
177.16360	3.2
178.05815	1.7
178.13116	1.3
180.09288	1.5
186.05511	4.2
195.01312	1.1
195.02888	6.3
195.06535	15.0
195.08212	3.1
195.10179	3.7
195.11774	3.7
195.13795	33.6
195.15686	3.6
196.16939	2.3
199.90401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	5.4
55.01864	3.8
55.05503	27.3
57.03424	10.3
57.07066	3.8
59.81908	1.6
61.85839	1.7
65.03925	2.3
65.43248	1.7
67.05497	26.0
68.97215	1.6
69.03419	7.0
69.07061	46.0
71.04987	20.0
71.07287	4.8
73.55568	1.7
79.05025	3.0
79.05486	54.7
81.03391	2.0
81.07048	65.8
82.06570	1.9
82.07459	1.6
83.04977	5.4
83.08597	11.2
89.03917	6.8
89.06029	6.3
91.05470	40.2
93.07036	100.0
94.07307	2.1
94.48653	1.6
95.04956	20.1
95.08600	24.8
97.06512	9.6
103.05479	3.7
105.07027	26.9
107.04947	12.7
107.08588	59.4
108.08923	2.7
109.06501	21.4
109.10130	3.2
111.08108	2.8
115.05477	2.9
117.03380	17.6
117.07014	24.0
119.08568	22.8
121.06501	15.5
121.10130	18.0
122.07267	2.0
123.08064	13.5
129.07031	7.0
130.07790	6.0
131.08556	29.6
133.02818	8.4
133.06485	32.6
133.07494	1.8
133.08490	1.9
133.10130	7.3
134.03629	2.7
135.04427	12.5
135.08041	10.2
135.11671	22.7
144.09358	6.0
145.02834	32.9
147.11633	2.3
149.05934	12.5
149.09677	3.2
149.13242	18.0
149.97278	2.5
153.97957	1.8
157.10172	2.1
159.11703	21.5
163.03894	96.6
164.04250	3.8
177.05446	50.6
177.09177	2.4
177.12749	16.1
177.16382	2.1
186.05461	2.7
195.02901	6.9
195.06473	7.9
195.08049	2.9
195.13885	6.0
195.15750	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	1.4
55.01855	1.0
55.05508	2.8
57.03166	0.6
57.03432	11.9
57.07062	1.2
65.03925	0.7
65.80129	0.4
67.05499	5.6
68.99760	0.5
69.03415	1.4
69.07064	2.9
70.82622	0.5
70.82970	1.4
71.04970	1.4
72.93759	0.4
73.06535	0.5
74.89951	0.4
75.04467	3.3
79.05484	9.1
80.05015	0.5
81.03419	1.6
81.07054	6.4
83.04974	1.6
84.08143	0.5
85.06535	2.9
89.03905	2.6
89.06005	2.4
91.05486	4.3
93.07037	22.9
95.04962	4.2
95.08599	8.2
97.06539	1.3
99.08072	1.1
103.05450	1.4
105.03345	0.5
105.07018	12.0
106.07772	0.9
107.04940	2.5
107.08582	16.5
109.06517	3.9
109.10130	1.3
109.98943	0.8
111.04429	0.9
111.08076	1.8
115.05437	0.5
117.03371	6.6
117.07011	1.5
119.04962	0.5
119.08554	4.3
121.06527	3.2
121.10134	100.0
122.10461	2.0
123.08058	34.9
124.08358	0.9
125.05958	0.9
131.08531	2.2
131.96162	0.6
133.02858	2.6
133.06482	2.4
133.07513	0.8
133.08546	0.6
133.10141	1.0
134.03586	1.3
135.04462	3.8
135.08058	1.9
135.11682	31.9
136.12096	0.6
137.05893	0.9
137.09587	0.5
137.13266	0.6
138.06639	0.7
139.07507	0.7
139.11119	1.5
145.02840	14.1
145.10085	0.8
146.03169	0.8
148.97346	1.2
149.05971	6.3
149.09653	1.1
149.13231	2.4
149.97162	1.4
150.09082	0.6
153.05431	0.7
153.09100	0.8
153.97911	1.0
154.97784	0.6
159.11723	1.3
162.02988	0.5
163.03891	29.5
163.11177	7.4
164.04242	1.1
167.07080	1.1
167.08514	0.9
168.10199	0.7
171.98956	1.2
172.98863	1.1
177.05460	23.2
177.09111	0.7
177.12749	3.0
177.16397	1.4
178.05846	1.0
186.05510	0.6
192.34633	0.4
195.00990	0.5
195.02881	1.8
195.06482	4.0
195.08047	0.7
195.10184	1.8
195.11937	0.9
195.13791	7.4
195.15623	1.1
195.17381	0.6
196.05908	0.6
196.09557	0.6
196.17104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	Dimethyl phthalate
Peak:m/z	Relative Intensity
52.46241	0.3
53.03930	1.1
55.05500	0.3
67.05492	0.5
69.07059	0.5
71.00964	0.7
71.04948	0.2
79.05491	2.2
81.07036	1.3
83.05001	0.3
83.08587	0.4
89.03902	1.1
89.06031	0.4
91.05478	0.3
92.02618	0.7
93.07014	1.1
95.04966	2.5
95.08591	1.0
98.06087	0.3
105.03392	0.7
105.04469	0.3
105.07007	0.4
107.04945	2.3
107.08575	0.8
117.03346	1.8
120.02031	0.4
121.06484	0.5
121.10136	0.6
133.01886	0.6
133.02847	8.5
134.03598	0.3
135.04405	6.9
135.11705	0.7
137.09607	0.3
139.03880	1.4
141.26550	0.3
145.02835	4.3
146.40247	0.3
148.97362	0.3
149.05946	1.9
149.13286	0.3
149.97102	0.4
153.97946	0.3
159.11720	0.3
159.64264	0.3
163.03888	100.0
164.04221	2.2
167.06990	0.3
167.08379	0.3
171.98976	0.4
177.05444	6.2
177.12750	0.5
195.02835	0.7
195.06516	1.0
195.08295	0.3
195.10123	0.4
195.13852	0.6
195.15669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01849	3.1
55.05500	11.9
57.03421	2.5
57.07067	9.0
59.04988	1.8
60.59299	0.8
61.02897	1.8
65.03920	1.5
67.05489	16.0
68.96303	1.5
68.99781	2.1
69.03405	3.1
69.07053	12.7
69.92818	2.1
69.93231	4.1
71.04976	4.9
71.08610	1.1
73.06557	1.2
79.05478	57.0
81.03380	2.5
81.07041	67.8
82.07378	1.2
83.04518	1.2
83.04967	17.9
83.08599	3.8
84.08125	1.7
85.06525	4.5
89.03899	8.2
89.06003	3.9
91.05464	13.0
93.03378	1.2
93.07030	72.7
94.07326	1.1
95.04934	7.1
95.08015	1.7
95.08590	25.3
97.06513	16.7
97.10148	1.2
97.28529	1.0
99.04412	1.1
99.08079	1.7
101.06036	4.7
105.07006	8.4
106.04152	1.4
107.04939	24.0
107.08576	44.1
109.02923	1.0
109.06493	2.9
109.10120	4.1
109.98950	2.2
111.04402	2.8
111.08053	3.9
117.03364	15.7
117.06995	3.5
119.04906	0.9
119.08557	4.2
121.06508	7.4
121.10121	19.0
123.04426	2.0
123.08038	1.8
123.11674	1.8
125.05976	12.1
125.09563	1.8
130.96257	2.3
131.08513	4.9
131.96101	1.8
133.02811	2.1
133.10117	13.4
134.03603	2.4
135.04411	9.0
135.08044	9.0
135.11673	100.0
136.11978	2.8
137.05887	1.9
137.09589	1.0
138.06627	1.3
139.03870	2.8
139.07509	8.2
145.02823	31.5
146.03180	0.9
148.97343	5.9
149.02274	2.1
149.05960	11.9
149.09592	4.0
149.13216	17.8
149.97179	5.0
151.03874	1.5
151.11098	1.1
152.06236	1.8
153.05447	2.2
153.09068	5.8
153.12744	2.8
153.97876	2.4
154.97736	1.9
159.11690	11.0
162.03078	1.0
163.03886	22.5
163.07532	3.3
167.07007	5.1
167.08582	2.6
167.14261	2.3
168.10146	1.6
171.98952	3.8
172.98804	2.3
177.05441	49.7
177.09036	4.7
177.12712	23.2
177.16248	4.8
178.05957	1.4
195.02878	6.1
195.06450	9.0
195.08102	9.0
195.10083	8.1
195.11855	2.2
195.13794	23.6
195.15665	2.6
195.17366	1.9
196.16870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0285
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01863	0.9
55.05501	0.7
57.03432	2.4
57.07056	0.2
65.03932	7.9
67.01847	0.8
67.05494	0.7
68.02619	0.2
68.99778	4.6
69.00134	0.3
69.03403	1.2
69.07072	0.9
71.01349	0.2
71.04984	0.3
71.12143	0.4
75.42415	0.2
79.01845	0.5
79.05476	1.5
81.03400	1.0
81.07048	1.6
83.01328	0.4
83.04964	0.8
83.08603	0.2
85.02900	4.2
89.03926	0.5
89.06033	0.3
91.05450	1.2
93.03388	1.4
93.07026	1.3
95.04961	0.9
95.08612	1.2
97.02869	1.4
97.06535	0.4
99.08078	0.2
103.05456	1.8
105.07014	1.3
107.01302	0.3
107.04945	12.1
107.08576	1.4
109.02859	0.8
109.06497	0.3
109.10169	0.4
110.03674	0.3
111.00822	0.2
111.04430	17.3
111.08103	0.2
113.02339	0.4
114.27276	0.2
115.05436	0.8
117.03355	1.1
117.07027	0.3
119.06134	0.2
119.08559	0.4
120.05704	0.4
121.02855	13.5
121.03918	0.9
121.06482	0.6
121.10102	1.2
122.78814	0.2
123.04396	0.8
123.11689	0.2
124.01562	0.4
124.05152	0.2
125.02352	1.5
125.05965	0.4
125.09620	0.3
127.03919	1.8
131.04951	0.9
133.02837	0.2
134.03607	0.2
135.00774	0.4
135.04384	0.5
135.08040	4.2
135.11673	0.8
137.01427	0.2
137.02312	0.8
137.05917	0.2
137.09644	0.2
137.13271	0.3
138.03078	0.5
139.03885	15.2
139.11177	0.2
145.02829	2.4
145.07603	0.4
149.02327	11.3
149.05902	1.2
149.09541	0.2
149.13219	0.2
151.03871	0.5
153.01810	10.5
153.05461	0.3
154.02585	2.9
154.06201	0.8
159.11728	0.3
162.03273	0.2
163.03889	1.6
163.07527	7.4
165.05472	0.2
166.02553	1.1
167.03383	39.0
167.07033	3.6
168.03751	0.4
171.02852	2.4
171.98936	0.2
177.01836	1.6
177.05440	4.2
177.09021	1.1
177.12660	0.4
177.16391	1.2
178.07378	0.2
180.07788	0.7
195.02867	100.0
195.10107	5.5
195.17511	0.3
196.03218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
55.01847	1.7
55.05267	1.2
55.05502	13.2
57.03422	4.5
57.07061	3.6
59.04981	1.4
62.51520	0.9
65.03896	1.1
67.05498	15.3
69.03408	3.6
69.07063	13.3
69.75344	7.6
71.04991	4.9
79.05479	11.7
81.03397	11.4
81.07045	16.6
83.04976	10.7
83.08606	10.1
85.06516	4.5
91.05466	11.3
93.07033	17.0
95.04963	9.4
95.08002	1.7
95.08594	27.6
97.02831	0.9
97.06503	5.1
97.10145	1.4
99.08078	7.2
99.58597	1.0
101.09663	0.9
103.05459	3.5
105.07014	36.6
107.04939	1.8
107.08578	23.9
109.06511	12.7
109.10139	29.6
111.04420	1.5
111.08076	12.2
115.05476	4.7
117.07010	1.4
118.04143	2.1
119.08568	39.7
120.08060	1.2
121.06438	1.2
121.10134	25.2
122.07231	0.9
123.04410	0.9
123.08048	29.0
123.11700	7.2
125.09585	1.5
129.06966	1.6
131.08563	2.4
133.02827	1.3
133.06474	18.9
133.10110	36.0
134.10487	1.1
135.08044	1.9
135.11674	32.8
136.08745	1.3
137.05951	4.2
137.09599	45.9
137.13222	3.4
138.10391	7.6
145.10095	2.4
146.97356	1.2
147.04407	1.3
147.08064	1.6
147.11667	19.1
149.13234	14.2
151.07484	1.3
151.11148	5.9
151.14806	3.3
157.10123	3.5
161.05962	24.6
165.05499	1.3
165.08992	1.6
165.12733	16.3
165.16420	1.4
175.07478	2.1
175.11183	3.5
175.14798	44.6
176.15184	1.5
193.04962	30.6
193.06819	1.2
193.08562	12.7
193.12218	7.7
193.15855	100.0
194.05309	1.1
194.16327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	0.9
55.05503	10.3
57.07063	2.4
59.04988	1.6
65.03947	1.2
66.08974	0.7
67.05499	8.5
69.03410	1.5
69.07054	30.0
69.64845	6.6
71.04984	14.8
79.05480	6.8
80.04993	0.7
81.03390	1.2
81.07044	22.0
83.04984	1.6
83.08616	2.3
85.06529	8.7
91.05460	5.9
93.07029	26.8
95.04952	30.0
95.08595	21.2
95.09200	1.2
97.06522	3.4
97.10159	11.6
99.08078	7.0
105.07014	13.1
107.08578	29.8
108.08878	1.1
109.06502	100.0
109.10136	17.7
110.06848	2.1
110.10397	1.0
111.08092	5.5
111.11711	3.3
119.08559	24.9
121.10119	8.9
123.04456	1.1
123.08075	6.3
123.11684	19.5
123.12524	1.2
125.09583	1.0
131.08656	1.2
133.02849	1.0
133.06473	1.4
133.10109	23.2
135.11671	36.1
137.05914	1.7
137.09593	15.0
147.08040	1.1
147.11655	9.7
149.13260	9.2
151.07510	0.9
151.11203	4.0
161.05975	1.4
166.08641	1.1
175.07474	1.9
175.11235	1.6
175.14799	43.8
176.15154	1.2
178.02661	0.9
193.04929	12.4
193.08575	2.5
193.12242	4.3
193.15855	80.5
194.15596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.75817	0.5
51.55330	0.5
53.03935	1.9
55.01874	3.0
55.05507	17.2
57.03423	3.0
57.07057	1.5
57.83910	0.5
59.04988	1.7
61.76182	0.5
65.03921	1.9
67.05498	16.5
68.99782	1.9
69.03405	2.5
69.07056	8.7
69.83986	3.8
70.06600	0.6
71.04974	1.7
71.08630	0.7
74.69723	0.5
79.05482	10.4
81.03410	9.7
81.07048	14.1
81.07533	0.7
83.04971	14.8
83.08615	4.7
85.02920	0.7
85.06533	9.4
91.05470	12.3
93.07030	12.2
95.04957	9.1
95.08597	16.0
96.08907	0.5
97.02881	0.9
97.06520	1.6
97.10147	1.2
98.20647	0.5
99.08083	100.0
100.08401	1.8
103.05456	6.5
105.07020	56.2
105.30247	0.5
106.07341	1.9
107.04946	1.8
107.08582	11.3
109.02854	1.0
109.06499	6.6
109.10147	28.2
110.15800	0.6
111.00819	0.7
111.04418	2.2
111.08073	6.5
115.05444	8.5
117.06998	1.5
117.89094	0.5
118.04135	5.1
119.04901	1.9
119.08571	20.5
121.06496	0.7
121.10123	7.9
122.07317	0.7
123.04416	5.3
123.08044	8.7
123.11692	4.5
125.05981	1.1
129.05447	1.2
129.06996	1.7
131.04924	1.5
131.08580	1.8
132.05699	0.9
132.20776	0.5
133.02838	1.5
133.06477	39.0
133.10110	25.8
134.06841	1.2
135.08047	1.0
135.11682	12.4
136.07593	0.5
137.05962	7.6
137.09616	9.6
137.13266	1.3
138.10350	1.3
139.03888	1.1
139.11157	0.8
143.04947	1.1
143.06033	2.4
146.26321	0.5
147.04372	1.8
147.08026	2.5
147.11674	13.6
147.91724	0.5
148.07552	1.0
148.12024	0.8
149.05956	1.3
149.09607	1.4
149.13245	2.5
151.03886	2.1
151.07518	1.5
151.11195	3.5
151.14803	3.8
157.10081	1.7
160.05115	0.5
161.05963	53.4
162.06284	1.4
164.04546	0.6
165.05481	2.7
165.09085	4.6
165.12747	1.2
165.16354	2.1
166.08562	1.0
175.03943	0.7
175.07541	3.1
175.11127	4.3
175.14792	13.7
176.15256	0.6
178.02635	1.2
178.06235	0.5
192.42763	0.6
193.04953	35.3
193.08565	23.8
193.10396	1.0
193.12210	6.3
193.15863	51.6
194.05254	1.4
194.09457	0.8
194.15431	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03937	5.6
55.01862	3.1
55.05491	4.0
57.03428	100.0
61.77755	1.1
67.05495	16.0
69.03415	4.3
69.07049	3.1
69.67329	9.6
75.04471	4.2
75.51688	1.0
77.03934	1.4
79.05486	10.9
81.03396	7.4
81.07043	10.0
83.04959	2.4
83.08591	1.7
85.06532	10.3
87.04467	1.4
91.05470	56.9
93.07030	60.1
95.04951	22.4
95.08588	4.7
97.06499	3.4
99.08065	1.5
101.77875	1.2
103.05469	4.0
105.04510	1.4
105.07014	41.1
105.91273	1.2
107.04940	3.8
107.08575	7.8
109.06511	7.7
109.10130	9.5
111.08096	1.4
112.32528	1.3
115.05441	3.0
117.06980	12.0
119.04902	1.3
119.08563	95.4
121.06485	60.3
121.10177	1.4
122.06817	2.3
123.11649	1.1
129.06981	4.6
131.04871	1.9
131.08496	2.9
133.06479	14.6
133.10109	23.8
135.08022	7.7
135.11681	1.9
137.05954	2.4
137.09589	21.6
142.07776	7.7
145.06454	3.9
145.10147	1.5
146.07242	13.3
147.08026	39.2
147.11668	43.6
149.09651	1.7
151.07492	1.9
157.10077	9.2
160.08844	6.6
161.05978	6.1
165.12804	2.1
175.11165	50.9
175.14784	1.9
193.04933	20.4
193.08562	2.5
193.12210	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	193.0857
Annotation	Isoshinanolone
Peak:m/z	Relative Intensity
53.03912	0.6
55.01866	2.0
55.05499	2.6
57.03409	0.6
57.07050	0.7
59.04974	0.5
65.03930	0.6
67.05490	3.7
68.99773	3.2
69.03416	1.6
69.07046	1.8
69.77288	2.0
69.77704	0.7
71.04961	0.5
79.05477	2.9
79.09939	0.3
81.03426	2.1
81.07047	4.4
83.04979	1.9
83.08614	0.8
85.02862	0.5
85.06523	1.4
85.80128	0.3
91.05462	6.5
93.03396	0.4
93.07033	4.2
95.04948	3.4
95.08588	4.9
97.06510	0.7
99.08068	1.6
103.05435	1.3
104.06168	0.4
105.03347	0.3
105.07016	24.0
107.04928	1.1
107.08586	3.5
109.06508	2.6
109.10130	2.9
111.04414	1.3
111.08043	0.5
115.05403	1.0
117.07022	1.7
118.04147	0.7
119.04942	3.3
119.08560	9.5
121.06484	0.8
121.10131	1.1
123.04411	6.1
123.08028	1.4
123.11662	1.3
125.05959	0.9
128.06198	1.4
129.05429	0.9
129.06985	14.8
129.07965	0.7
131.04861	0.5
131.08545	1.4
132.05688	1.4
133.02861	0.7
133.06459	6.0
133.10112	5.2
135.08043	0.7
135.11681	5.2
137.02287	0.8
137.05943	3.6
137.09605	2.3
145.06483	0.5
147.04395	2.2
147.08029	13.1
147.11676	4.3
149.02379	0.4
149.05952	4.0
149.09528	0.5
149.13231	1.1
151.03885	2.1
151.07545	1.3
151.11179	0.6
151.14799	0.4
157.06454	3.5
158.07156	0.4
160.05174	19.0
161.05963	5.3
163.03780	0.4
163.07526	1.7
164.04651	0.9
165.05444	0.6
165.09062	2.2
169.04982	0.5
173.06007	0.4
175.07521	100.0
175.14827	4.2
176.07835	2.8
178.02602	0.5
178.06241	0.8
193.04942	42.7
193.08574	36.2
193.12091	2.1
193.15826	5.5
194.05273	1.7
194.09041	0.6
194.15318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03921	1.7
54.65141	0.9
55.01860	0.9
55.05505	17.0
56.96561	6.3
57.07072	7.7
64.96406	0.7
64.97990	0.8
65.03919	0.8
67.05198	1.1
67.05505	14.3
69.03424	2.0
69.07058	20.4
71.04975	2.1
71.80180	1.2
75.02028	0.8
75.61893	0.8
79.05482	17.9
81.03432	0.9
81.07051	30.8
83.04968	1.4
83.08607	15.9
84.08115	1.6
85.10166	1.7
91.05470	9.4
93.07035	40.0
95.04965	4.0
95.08596	70.5
97.10169	16.5
100.07599	2.2
104.03056	0.8
105.07024	15.8
107.04955	2.2
107.08582	69.0
108.08909	2.0
109.06507	7.5
109.10143	44.2
110.10480	1.3
116.00224	0.9
117.07008	2.2
119.08607	5.8
121.06492	3.3
121.10130	93.8
122.07289	2.2
122.10441	2.3
123.08058	4.2
123.11687	6.8
124.03930	1.0
129.07004	1.3
131.08548	6.8
133.10121	7.9
135.08044	7.0
135.11679	57.3
145.10121	8.2
146.06003	1.4
147.11653	4.0
148.08383	1.4
149.05997	1.3
149.09589	5.7
149.12112	1.2
149.13251	12.9
150.02667	1.0
156.26480	0.8
157.08804	4.1
158.10959	1.4
160.05070	1.3
161.09593	10.9
163.05746	0.9
163.07507	1.1
163.11166	2.9
163.14804	2.5
165.85522	0.9
166.09367	2.0
168.59575	4.0
173.09596	2.4
173.13264	6.0
176.11914	4.1
177.07759	1.1
178.14153	0.8
191.03329	1.0
191.06879	5.5
191.10652	8.9
191.14297	100.0
191.17924	67.8
191.19739	1.9
192.06519	3.1
192.10167	3.2
192.14619	2.7
192.17332	1.7
192.18459	0.8
203.17978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
55.01867	0.4
55.05495	1.2
57.03428	8.2
57.07063	0.4
59.04990	0.6
62.41949	0.2
65.03936	0.6
67.05495	2.6
69.03411	0.5
69.07056	1.3
70.20648	0.9
71.04994	0.5
79.05489	2.0
81.03416	1.0
81.07057	2.0
83.04984	0.9
83.08595	0.3
85.02884	0.3
85.06531	2.1
91.05469	100.0
92.05798	1.6
93.07027	2.9
95.04960	1.6
95.08586	2.0
97.02904	0.5
97.06505	0.4
99.08083	12.7
103.05444	1.1
105.07024	8.4
105.07726	0.4
106.07358	0.3
107.08577	2.9
109.06535	0.9
109.10146	4.8
111.04438	0.5
111.08045	0.3
112.70579	0.2
115.05433	1.1
116.05050	0.3
116.10616	0.2
117.07011	0.4
118.04138	0.6
119.04885	0.3
119.08572	3.1
121.10138	0.5
123.08079	0.6
123.11710	0.5
129.05464	0.5
129.06961	0.5
131.04903	0.4
131.08562	0.4
133.02850	0.6
133.06468	6.1
133.10109	3.9
135.11678	3.8
137.05960	1.5
137.09579	1.6
139.03815	0.3
143.04988	0.2
143.06006	0.5
147.04405	0.3
147.08063	0.3
147.11662	2.7
149.02325	0.3
149.09602	0.3
149.13228	0.4
151.11197	0.8
157.10187	0.2
160.05215	0.2
160.08812	0.2
161.05956	6.7
165.05443	0.7
165.09044	0.2
165.16371	0.3
170.19283	0.2
175.03857	0.3
175.07518	1.5
175.11180	1.0
175.13379	0.3
175.14803	1.7
176.07031	0.2
193.04950	6.0
193.08580	12.3
193.12161	1.5
193.15854	6.5
194.08641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.179
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.02363	1.1
53.03938	2.0
53.68766	1.0
55.05240	1.4
55.05503	19.0
57.07063	7.3
65.03921	1.8
65.90678	1.0
67.05494	16.8
69.03414	2.3
69.06696	1.8
69.07056	33.5
71.04971	1.4
71.80720	1.6
77.03905	1.1
79.05479	18.6
81.07044	36.9
83.04960	2.4
83.08603	16.9
85.10157	1.1
91.05462	14.9
93.07031	55.3
95.04951	2.2
95.08593	57.5
97.10149	12.9
100.07543	1.3
103.05409	2.3
105.07015	78.4
106.07315	2.1
107.04946	2.4
107.08578	80.7
109.06491	3.8
109.10138	72.1
110.10458	0.9
111.04430	1.0
111.11681	1.7
115.05420	2.4
117.06989	9.9
119.08554	13.6
121.06488	6.6
121.10124	69.1
122.10430	1.2
123.08089	2.9
123.11698	11.7
124.03864	1.0
125.23273	1.1
129.07001	1.4
130.07771	9.6
131.08566	8.4
133.10107	5.4
135.04384	2.7
135.08040	7.3
135.11673	87.7
136.11964	1.6
138.18869	1.0
143.08546	4.1
145.10106	68.4
146.10478	1.9
147.11665	9.6
148.12241	0.9
149.05951	21.5
149.09625	2.7
149.13237	20.1
150.02684	1.4
158.07219	1.5
161.09520	1.5
163.07542	3.3
163.11150	3.6
163.14857	3.3
167.58900	2.0
173.09615	18.2
173.13216	5.0
182.67017	1.1
189.09044	1.6
191.03320	1.5
191.06979	12.5
191.10646	50.2
191.14285	24.5
191.17920	100.0
192.10120	2.5
192.13867	1.1
192.18282	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
53.51642	1.1
55.01853	4.5
55.05499	6.5
57.03423	1.8
57.07074	1.4
59.04983	1.4
65.03921	1.5
67.05487	14.8
69.03407	3.4
69.07063	10.1
70.90648	3.8
70.91000	1.0
71.04995	6.9
73.06538	1.4
79.05476	15.5
81.03409	1.0
81.06614	1.4
81.07049	17.7
83.04952	3.0
83.08573	3.7
85.06534	5.0
91.05459	21.6
93.07032	21.8
95.04939	10.8
95.08595	14.2
97.06516	11.7
99.08081	1.6
103.05448	4.2
105.03398	1.2
105.07009	41.1
105.07717	2.0
106.07342	1.1
107.04929	11.1
107.08575	32.2
109.06498	22.9
109.10137	20.1
110.58928	1.0
111.08047	2.0
115.05443	2.9
117.07005	11.7
118.04110	1.3
118.07754	1.3
119.04903	1.1
119.08549	17.0
121.06480	9.5
121.10122	20.0
123.04375	1.4
123.08048	10.8
123.11684	1.2
128.06247	1.2
129.06978	5.4
130.07771	2.8
130.64316	1.1
131.04883	7.5
131.08545	46.2
133.06444	2.7
133.10106	100.0
135.04404	2.9
135.08029	36.3
135.09068	1.8
135.11676	8.0
136.08765	1.2
143.08551	5.6
144.09357	1.6
145.06445	4.2
145.10097	33.9
146.05902	1.2
147.08002	3.1
147.11644	13.0
148.05183	2.2
149.05952	3.6
149.09604	12.1
149.13243	11.6
155.08559	2.8
158.10880	8.4
163.03879	3.0
163.07506	4.3
163.11154	31.5
163.14771	5.8
173.05962	1.1
173.09598	11.1
173.13229	47.6
174.86160	1.4
176.04620	1.3
191.03311	7.0
191.05415	1.7
191.06990	9.9
191.10652	35.2
191.14270	73.7
192.14561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01851	2.2
55.05492	4.2
57.03407	1.1
57.07053	1.3
59.04971	1.7
59.36051	1.1
67.05500	19.4
69.03415	2.8
69.06699	2.1
69.07058	35.4
69.73662	8.0
71.04982	26.3
79.05483	13.4
79.57714	0.9
81.07041	11.4
83.04950	1.3
83.08606	1.7
83.15266	0.9
85.06535	8.3
86.36878	0.9
91.05466	14.6
93.07031	13.2
95.04961	12.1
95.08595	11.8
97.06522	7.3
99.08071	1.5
103.05449	1.9
105.03366	3.1
105.07017	28.8
107.04931	2.2
107.08580	42.0
109.06506	75.1
109.10142	87.4
111.08027	1.4
115.05455	1.2
116.06197	1.1
116.96049	1.0
117.06975	4.7
119.05921	1.2
119.08575	10.1
121.06515	4.9
121.10124	32.8
123.04401	3.6
123.08052	22.5
129.06967	2.7
131.04916	1.7
131.08551	44.7
133.10117	21.6
135.08037	86.3
135.11679	3.1
136.08389	1.0
143.08553	4.5
144.09294	1.2
145.10100	11.7
147.08026	1.6
147.11670	12.3
148.05243	1.0
148.08774	1.5
149.09604	10.7
149.13252	8.8
150.10344	3.5
158.10881	8.0
161.09506	1.1
163.03810	1.1
163.07530	1.1
163.11163	1.2
163.14799	1.4
173.13231	48.0
176.11974	1.5
191.03349	1.3
191.07008	2.5
191.14287	100.0
192.14624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
57.03416	0.7
57.07054	2.0
59.04988	1.1
67.05494	4.1
69.03423	16.7
69.07063	7.0
69.68446	3.1
69.68860	0.9
71.04985	1.3
77.03931	0.5
79.05482	3.5
81.07045	4.4
83.04967	4.4
83.08592	1.5
85.06563	2.3
91.05467	4.5
93.07034	5.5
95.04971	3.1
95.08594	14.5
97.06517	6.2
103.05461	2.4
103.10195	0.5
105.07001	6.3
107.04935	2.3
107.08579	15.0
109.06506	8.6
109.10133	4.3
111.08049	0.5
117.06985	2.2
119.08569	6.4
121.06503	4.0
121.10133	11.2
123.08063	4.1
129.06964	0.7
130.07706	0.6
131.04869	1.7
131.06902	1.0
131.08560	14.4
133.10110	12.3
135.04356	0.5
135.08040	15.5
135.11687	6.3
136.08742	1.0
137.09631	1.1
143.08536	3.5
144.09305	1.1
145.06479	0.8
145.08409	0.5
145.10110	7.0
147.08055	0.7
147.11668	4.4
149.05956	2.1
149.09602	13.0
149.13228	6.0
150.10394	2.8
158.10893	8.7
161.09560	2.1
163.07567	1.2
163.11172	4.5
163.14789	5.1
173.09608	1.1
173.13239	36.7
174.13541	1.2
176.11978	3.1
191.03342	0.9
191.06969	2.2
191.10738	4.4
191.14287	100.0
192.14731	2.6
209.73431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.98450	1.4
52.71484	1.5
53.03943	1.9
53.26269	1.3
55.01856	2.2
55.05504	8.6
55.90836	1.6
57.03419	3.4
57.07064	2.7
59.04969	2.4
61.72915	1.8
66.49554	1.6
67.05484	5.7
69.03423	9.8
69.07057	12.3
69.92460	11.6
71.04973	6.5
72.96023	1.6
79.05476	10.4
81.03402	1.4
81.07058	13.7
83.04982	2.6
83.08612	2.3
85.06514	4.9
91.05466	27.4
93.07034	18.9
95.04952	7.2
95.08595	13.2
97.06517	7.9
98.21335	3.2
103.05459	4.6
105.07014	54.2
107.04944	5.0
107.08578	35.6
109.06512	12.6
109.10141	12.5
111.08089	2.6
115.05447	2.9
116.06262	2.2
117.07016	10.8
119.07732	3.0
119.08566	45.7
121.06503	10.2
121.10129	26.3
123.08043	9.0
123.11642	2.0
129.07013	5.1
130.07796	2.5
131.04924	2.4
131.08556	48.4
133.06534	3.8
133.10118	100.0
135.08047	21.9
135.11708	3.8
143.08537	6.3
144.09325	3.7
145.10120	26.5
147.08026	2.6
147.11667	29.3
148.05206	2.6
149.05989	2.2
149.09612	30.8
149.13231	15.1
158.10852	12.3
163.07535	2.2
163.11226	3.3
163.14806	7.2
173.09564	2.9
173.13261	56.4
177.06004	1.6
191.03429	2.1
191.06813	11.5
191.08455	3.3
191.10704	11.6
191.14294	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	1.1
53.09003	1.1
54.31866	1.0
55.05493	3.0
57.03429	0.8
57.07069	1.0
59.04990	1.2
67.05500	8.1
69.03420	14.8
69.07063	6.0
69.71606	5.4
69.72029	2.8
71.04990	5.3
79.05476	6.3
81.03403	1.1
81.07043	6.9
81.95345	1.0
83.04979	4.8
83.08592	2.2
85.06531	2.4
91.05460	10.1
93.07040	7.1
95.04949	5.4
95.08584	13.2
97.06496	6.4
103.05446	3.3
105.07005	17.6
107.04946	9.8
107.08583	19.1
109.06506	29.3
109.10144	20.9
111.08067	1.3
115.05451	1.5
117.07024	5.2
119.08549	8.3
121.06479	5.8
121.10132	12.9
123.08034	8.6
129.06972	2.1
130.07693	1.7
131.04898	3.7
131.08542	27.2
133.06462	1.7
133.10110	35.6
135.04376	1.8
135.07030	2.0
135.08040	34.7
135.11665	3.8
136.08847	1.0
137.09561	1.1
143.00873	0.9
143.08517	3.3
144.09286	1.5
145.10104	13.6
147.08076	1.5
147.11647	8.4
148.05074	1.0
149.05968	2.5
149.09598	12.3
149.13231	5.9
150.10384	2.7
158.10854	8.1
161.09583	2.5
163.07550	4.5
163.11133	5.5
163.14775	3.0
173.09604	3.6
173.13237	42.2
176.11958	2.8
191.03392	3.0
191.07036	3.9
191.10696	7.4
191.14287	100.0
192.14653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54760	1.2
53.03922	2.3
54.92644	1.1
55.05492	4.5
57.03415	2.9
57.07048	1.8
59.04986	2.9
67.05492	6.1
69.03414	8.2
69.07060	9.5
69.88736	6.2
71.04965	4.2
79.05477	9.9
81.07050	10.0
83.04964	3.6
83.08598	4.7
85.06514	3.0
91.05470	20.2
93.07031	13.3
95.04962	5.9
95.08589	12.3
97.06527	7.9
103.05441	1.8
105.07018	48.3
106.06538	1.8
107.04957	3.4
107.08582	28.3
109.06498	9.8
109.10130	9.9
111.08070	2.2
115.05446	2.8
116.06193	1.6
117.07011	5.8
119.08561	38.8
121.06496	5.2
121.10116	18.6
123.08075	5.8
129.07001	3.0
130.07729	2.1
131.04950	2.4
131.08545	43.1
131.45819	1.2
133.10110	100.0
134.10437	1.2
135.08034	16.9
135.11671	5.0
143.08548	7.8
144.09317	1.8
145.10104	22.8
147.11665	26.7
148.08702	1.3
149.09602	22.2
149.13228	16.3
156.09422	1.2
158.10867	11.3
161.09534	1.6
163.07542	2.1
163.11160	2.4
163.14803	4.7
173.13234	53.2
191.03363	1.8
191.06787	6.7
191.10687	6.4
191.14281	58.1
195.70036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01861	1.2
55.05494	3.7
57.07057	1.7
59.04986	1.5
65.63522	0.8
66.60384	0.9
67.05495	7.5
69.03416	5.4
69.07053	9.5
71.04987	13.1
71.67519	1.1
71.77611	1.8
71.77988	1.0
73.06563	1.3
73.57336	1.0
79.05477	8.9
81.07040	8.6
83.04958	2.9
83.08602	2.3
84.08115	2.1
85.06543	6.1
91.05470	11.9
91.75409	0.9
93.07032	14.5
95.04967	6.4
95.08596	17.7
97.06524	12.8
100.07569	2.3
103.05460	5.9
105.03360	5.8
105.06348	1.9
105.07012	21.8
106.77821	1.0
107.04947	1.4
107.08580	29.7
109.06504	9.2
109.10126	8.5
111.08065	3.2
115.05442	1.9
117.06998	3.2
118.04128	1.9
119.08565	11.7
121.06480	3.8
121.10127	28.5
123.08038	5.2
123.11683	1.2
130.07756	1.3
131.04906	2.9
131.08542	14.0
133.09084	1.3
133.10112	26.7
135.08031	19.5
135.11678	4.7
143.08580	2.7
144.09245	1.1
145.10109	12.1
147.08041	1.5
147.11661	13.2
148.05161	2.4
148.12228	1.0
149.06044	2.3
149.09607	6.1
149.13248	15.7
158.10899	4.8
163.07523	3.3
163.11093	1.1
163.14795	2.1
173.05829	1.8
173.09627	3.8
173.13243	29.1
176.04643	2.0
191.03389	4.0
191.06984	10.8
191.10672	7.0
191.14290	100.0
192.06699	1.4
192.14590	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.08088	1.2
52.46573	1.3
53.03893	1.1
55.05491	3.0
57.03414	3.4
57.07051	1.4
59.04988	3.2
67.05473	4.8
69.03403	2.5
69.07048	8.4
69.60583	11.7
71.04973	3.7
74.18676	1.2
79.05483	7.5
81.07036	7.0
83.04964	3.3
83.08593	2.0
85.06510	2.6
91.05470	18.4
93.07030	13.1
95.04944	4.3
95.08604	8.7
97.06496	4.6
103.05458	2.6
105.06347	2.5
105.07017	40.3
107.04934	1.6
107.08579	43.1
109.06513	11.1
109.10149	10.3
115.05454	2.5
117.06993	4.6
119.08568	23.6
121.06496	3.5
121.10136	27.9
123.08034	4.1
123.11677	3.8
129.06967	5.0
130.07756	2.9
131.04910	1.5
131.08549	38.9
133.10115	100.0
135.08025	17.0
135.11658	4.3
143.08568	7.5
144.09311	2.7
145.10109	23.2
147.11685	17.5
148.08835	1.2
149.09586	6.6
149.13229	27.7
158.10867	15.8
163.07523	1.7
163.11188	1.9
163.14796	5.4
173.05968	1.7
173.13249	67.1
191.03355	1.4
191.06964	2.1
191.10640	3.8
191.14284	61.0
192.14621	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05500	2.2
57.03439	0.8
57.07068	1.0
59.04983	0.6
67.05494	11.1
69.03421	1.5
69.07058	100.0
69.62046	3.4
70.07390	0.9
71.04980	14.4
79.05483	9.8
81.03423	0.6
81.07045	6.7
83.04972	1.5
83.08601	1.1
84.08128	0.9
85.06537	4.9
85.10184	0.4
89.06033	0.4
91.05466	9.3
93.07031	9.0
93.07595	0.7
95.04957	5.4
95.08594	7.3
97.06515	4.2
97.10149	0.6
99.08067	0.6
100.07606	1.1
103.05450	3.7
105.03378	6.6
105.07013	16.8
107.04948	1.6
107.08580	23.1
109.05737	0.7
109.06504	19.9
109.10142	31.7
110.06905	0.4
111.08082	1.3
115.05445	1.0
116.06204	0.6
117.06995	3.7
118.04142	1.0
119.06111	0.3
119.08566	6.7
121.06506	3.3
121.10126	22.8
122.10487	0.5
123.04415	11.8
123.08052	13.9
123.11703	0.9
129.06985	1.3
130.07803	0.8
131.04912	3.2
131.08543	19.2
133.02887	0.4
133.06476	0.8
133.10114	13.5
135.04425	0.5
135.08034	24.7
135.11659	2.4
143.08505	1.8
144.09320	1.0
145.06459	0.9
145.10106	7.4
147.08028	0.5
147.11668	7.8
148.05159	1.2
148.08910	0.7
149.05968	0.9
149.09604	5.0
149.13249	4.8
150.10326	0.6
158.10904	3.2
161.09563	0.6
163.03946	0.5
163.07506	3.1
163.11169	1.0
163.14780	0.9
173.05933	0.8
173.09651	0.8
173.13239	20.6
174.13617	0.6
176.04599	0.4
176.11958	0.7
191.03323	2.0
191.07002	5.7
191.08635	0.6
191.10674	4.8
191.14279	44.4
191.17853	2.7
192.06534	0.8
192.10191	0.5
192.14616	0.4
192.17421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Ligustilide
Peak:m/z	Relative Intensity
53.03941	1.2
55.01860	1.0
55.05498	4.2
57.07069	1.1
65.03927	1.1
67.05492	4.2
69.03411	1.8
69.07057	5.5
71.04980	1.0
71.16824	0.5
71.43820	0.5
71.80589	0.8
79.05479	6.6
81.03401	1.5
81.07053	5.1
83.04965	1.4
83.08601	2.1
85.06517	0.8
90.47596	0.5
91.05464	10.2
93.07034	11.5
95.04960	2.3
95.08596	8.6
97.10141	1.4
100.07562	0.5
103.05460	2.7
105.07017	100.0
106.07335	1.2
107.04927	2.2
107.08580	13.8
109.02901	0.9
109.06525	3.0
109.10137	7.2
115.05429	2.8
117.06997	9.6
119.04942	0.6
119.08561	10.9
121.06497	6.6
121.10126	10.1
123.08050	3.3
123.11668	1.6
129.06952	1.4
130.07771	9.0
131.04865	0.8
131.08568	7.8
133.10095	3.3
135.04388	1.9
135.08061	5.8
135.11664	9.9
137.02289	2.0
137.05981	1.5
137.44241	0.5
142.34319	0.5
143.08517	2.3
145.06465	2.4
145.10104	72.2
146.10605	1.0
147.11671	10.0
149.05962	32.6
149.09572	2.5
149.13223	2.5
150.02602	0.7
150.06293	0.6
155.03372	0.6
158.07272	0.7
158.10909	0.7
161.09685	0.6
163.03833	0.7
163.07497	2.9
163.11171	4.8
173.05901	1.0
173.09596	20.4
173.13240	2.8
176.08249	0.7
189.09061	1.7
191.03333	2.0
191.06978	14.6
191.10637	48.4
191.14293	13.1
191.17871	7.4
192.06520	1.1
192.10992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.01101	0.5
55.01871	1.4
55.05492	2.1
57.07059	1.9
59.04995	1.2
65.03916	0.5
67.05484	5.1
69.03409	4.0
69.07065	2.6
69.89458	4.0
71.05000	2.5
72.98209	0.5
79.05479	5.5
81.03412	0.8
81.07046	9.1
83.04963	1.7
83.08607	0.8
84.08149	1.0
85.06542	1.0
91.05464	8.4
93.07033	6.7
93.19794	0.5
95.04960	3.6
95.08598	4.8
97.06518	2.2
100.07595	1.8
102.04637	1.0
103.05454	38.0
104.05779	0.9
105.03399	1.8
105.07012	11.6
105.16431	0.5
107.04940	4.4
107.08582	9.9
109.02862	1.0
109.06504	10.9
109.10141	10.7
111.08085	0.7
115.05452	1.9
116.06236	1.0
117.07008	11.3
118.04179	1.7
119.04935	0.8
119.08562	4.4
121.06467	2.8
121.10143	7.4
123.03517	1.0
123.04414	18.9
123.08041	3.6
123.11700	1.3
128.06201	0.9
129.06982	1.8
130.04134	1.3
130.07771	2.9
131.04910	72.7
131.08542	12.0
131.09483	1.0
132.05283	1.0
133.02821	0.7
133.06488	1.4
133.10112	14.4
134.37175	0.5
135.04420	2.7
135.08038	13.0
135.11662	3.5
137.05954	1.5
143.08554	2.0
144.05687	2.8
144.09334	0.8
145.06482	12.6
145.10103	21.2
145.11256	1.2
146.10475	1.0
147.08034	1.3
147.11693	3.3
148.05193	3.9
148.08821	0.7
149.05959	100.0
149.09563	6.5
149.13206	3.2
150.06281	2.1
155.06053	0.7
155.08559	1.6
158.07266	3.9
158.10913	2.1
159.07994	0.9
161.09666	0.7
162.06816	2.9
163.03905	1.3
163.07561	5.7
163.11200	2.4
163.14748	1.1
173.05986	1.4
173.09596	30.5
173.13237	13.0
174.09953	1.0
176.04692	2.1
176.08304	0.8
191.03384	3.3
191.07008	11.0
191.10657	63.9
191.14270	27.9
191.17796	2.9
192.10983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	Ligustilide
Peak:m/z	Relative Intensity
53.03954	1.2
55.01857	0.7
55.05507	5.0
57.07074	1.1
57.14540	0.6
59.04977	0.5
65.03931	0.5
67.05486	3.6
69.03426	1.4
69.07056	5.7
71.04977	1.3
71.78802	0.4
71.79217	0.5
79.05479	5.4
81.03419	0.6
81.07039	4.6
83.01331	0.9
83.04967	1.2
83.08611	1.8
84.08147	0.6
91.05468	12.2
93.07037	10.2
95.04971	2.0
95.05515	0.4
95.08590	7.5
97.06496	0.4
97.10168	1.1
99.04465	0.6
100.07587	0.6
102.18006	0.4
103.05473	2.6
105.07017	94.1
106.07357	1.7
107.04950	1.2
107.08578	10.6
109.06560	0.8
109.10131	6.7
110.06024	0.5
111.11689	0.5
115.05452	1.4
116.06219	0.9
117.07005	13.3
119.04932	1.0
119.08568	15.5
121.06485	5.2
121.10130	11.6
123.08052	1.1
123.11685	1.0
128.06192	1.4
129.06979	2.0
130.07771	13.6
131.04961	1.3
131.08553	8.0
133.06465	0.7
133.10130	2.3
135.04385	2.1
135.08011	3.4
135.11678	9.6
137.05952	0.7
143.08562	3.7
145.06459	1.8
145.10101	100.0
146.10464	2.5
147.08083	0.5
147.11667	13.1
149.05962	28.6
149.09599	1.4
149.13257	1.9
150.06215	0.5
155.08580	0.4
158.07256	1.3
158.10956	0.5
158.99120	0.4
160.05191	0.6
161.09688	0.6
163.07509	1.7
163.11179	5.8
171.08023	0.4
173.05949	0.7
173.09595	25.3
173.13219	2.2
174.09921	0.8
189.09042	3.1
191.06982	7.8
191.10643	60.2
191.14270	10.7
191.17903	10.8
192.11014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1062
Annotation	Ligustilide
Peak:m/z	Relative Intensity
51.02365	0.7
53.03933	0.9
55.01867	0.8
55.05500	3.9
59.04984	0.7
65.03922	0.9
67.05494	2.6
69.03414	0.9
69.07056	4.5
69.55856	4.5
71.55811	0.4
79.05482	4.1
81.03436	0.5
81.07041	4.0
83.04976	1.0
83.08611	0.7
91.05466	10.3
93.07030	6.8
93.91239	0.5
95.04976	1.6
95.08590	4.1
98.21671	0.4
100.07641	0.6
103.05450	3.2
105.07015	89.0
106.07327	1.1
107.04945	1.3
107.08572	7.3
109.06501	1.5
109.10139	4.2
110.77500	0.5
115.05449	1.4
116.06207	1.0
117.07007	12.8
119.04917	0.7
119.08560	14.1
121.06483	5.5
121.10126	5.3
123.08058	1.7
123.11711	1.1
128.06218	1.2
129.07005	2.1
130.07771	13.3
131.04889	1.3
131.08568	7.4
133.06512	0.7
133.10139	2.5
135.04396	1.7
135.08040	2.2
135.11665	5.4
137.05891	0.9
140.50621	0.5
143.08565	4.4
145.10103	100.0
146.10458	2.7
147.11668	12.2
149.05959	26.7
149.09630	1.4
149.13251	1.5
150.06378	0.7
155.08566	0.7
158.07245	1.1
163.07539	1.0
163.11182	5.2
173.09601	24.8
173.13251	2.2
176.11899	0.8
182.21150	0.4
183.45718	0.5
189.09048	2.4
191.03468	1.0
191.06990	4.8
191.10643	54.8
191.14262	10.7
191.17886	4.0
192.06480	1.0
192.11021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
57.11795	0.2
68.06712	0.3
70.06696	1.4
70.07090	0.2
89.03912	1.0
101.11932	0.3
116.04958	3.0
119.39474	0.2
144.04402	0.8
162.05484	100.0
163.05800	1.7
164.06018	0.3
190.04970	43.5
191.05313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79644	0.3
55.01860	0.6
55.05499	1.5
56.05027	0.5
56.96562	4.4
57.03427	0.7
57.07083	0.4
58.06586	1.8
59.04986	0.7
60.04533	0.4
60.08161	2.1
61.02921	0.4
67.05495	1.3
69.03413	1.4
69.07063	3.0
70.02942	0.4
70.06582	14.5
71.04933	0.4
71.76904	0.7
73.02883	0.6
74.02406	0.4
79.05470	0.7
81.07014	0.4
82.06557	0.3
83.04990	0.6
84.04488	0.5
84.08127	3.7
85.02895	3.4
85.06530	1.1
86.06039	0.6
86.09692	5.1
88.07616	0.7
89.03909	0.8
91.05473	0.9
93.07014	0.5
95.08585	0.6
97.02880	2.0
98.97579	2.6
100.07577	0.3
102.09184	0.8
103.05444	1.8
106.02875	0.5
107.04914	1.2
107.08604	0.4
109.02901	0.4
109.40599	0.3
110.92457	0.3
112.63239	0.3
116.04961	2.2
116.07067	3.5
116.98581	2.3
119.01823	0.5
119.08544	0.5
120.04465	0.5
120.08084	0.6
120.74829	0.3
121.02844	1.5
126.12775	16.1
128.02307	0.4
130.04971	0.6
131.00125	0.9
131.04904	1.3
134.06038	0.5
134.99646	1.6
137.02341	0.9
144.04323	0.4
144.08083	0.6
144.10164	3.5
144.13814	49.2
145.14168	0.7
149.01242	2.0
149.02249	0.5
149.05978	0.6
154.08600	1.2
154.12231	0.5
162.05478	100.0
163.05847	2.6
167.02246	0.7
167.05582	0.5
168.53922	0.3
169.03419	0.5
172.04135	0.4
172.05917	0.3
172.07584	0.8
172.09647	1.4
172.12024	0.6
172.13300	3.9
173.13307	0.5
176.59126	0.3
177.00694	1.0
185.01247	0.4
186.87799	0.3
190.03545	1.9
190.04965	44.9
190.08490	2.7
190.12624	0.7
190.14355	14.0
191.05414	2.2
191.14325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	3.6
69.81955	11.0
69.82288	2.3
71.04977	2.2
77.96967	1.2
79.05465	1.4
80.05888	1.2
90.58302	1.4
91.05473	5.3
93.07034	1.9
95.42279	1.2
98.21403	2.6
105.07013	8.5
107.08604	2.1
117.07006	2.7
119.08566	11.4
128.06230	2.3
129.06996	2.9
130.07774	4.4
131.08524	4.1
133.06493	2.8
133.10100	3.4
141.06952	5.3
142.07791	1.4
143.08534	5.9
144.09329	2.5
145.10124	20.4
146.10887	1.8
147.08023	5.3
147.11676	9.7
155.08528	2.8
156.09332	42.4
157.09680	1.7
159.08055	3.6
159.11662	12.6
160.08823	1.4
161.06082	1.4
161.09584	3.8
161.13213	3.0
162.05492	1.7
164.68314	1.4
171.11685	50.4
172.12091	2.4
174.10312	7.2
189.12727	100.0
190.13069	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
52.97863	1.0
53.03924	1.7
55.01828	1.3
55.05511	8.7
64.20705	1.0
67.05497	11.0
69.03410	2.0
69.06755	0.8
69.07068	7.5
71.79885	0.8
71.80256	1.6
79.05473	9.3
81.07047	24.7
83.08614	2.3
91.05471	35.8
93.07026	12.1
95.08596	22.6
97.10125	1.4
103.05473	1.3
105.07018	59.9
107.08587	19.4
109.10136	16.5
111.04446	1.2
115.05406	1.2
117.06992	3.5
119.08566	38.3
121.02790	1.0
121.10141	7.8
128.06178	2.1
128.07088	0.9
129.06979	1.3
130.04921	1.5
131.08563	7.0
133.06480	1.8
133.10115	100.0
134.10498	1.6
143.08524	3.0
145.10097	8.1
146.10886	2.8
147.08054	1.4
147.11671	24.2
149.02333	7.2
156.09320	3.0
159.11816	1.1
161.05907	1.7
161.13255	7.8
162.05472	2.1
171.08037	1.0
171.11671	4.1
189.05510	1.7
189.09074	8.1
189.12645	11.1
189.16362	78.7
190.08604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05518	1.3
58.63229	0.5
67.05518	2.0
68.99799	0.7
69.03426	1.9
69.07053	0.6
69.47076	0.6
71.81983	0.9
79.05485	1.5
81.07069	1.6
83.04986	0.8
91.05466	9.3
93.07050	1.7
95.08625	1.2
103.05467	0.7
105.03390	2.3
105.07018	10.6
107.04971	1.0
107.08596	1.4
109.10168	1.0
115.01338	0.6
115.05448	11.1
117.06998	2.4
119.04910	0.7
119.08571	7.5
121.10102	0.6
124.87715	0.6
128.06204	7.0
129.06973	5.2
131.04941	1.0
131.08559	2.9
132.05685	1.6
133.06485	8.5
133.10092	6.5
143.04913	2.0
143.08543	9.8
145.10130	2.4
146.07289	0.9
147.04405	1.7
147.08066	1.7
147.11656	3.8
149.02415	0.6
156.09320	1.8
157.06474	1.7
158.07239	1.0
159.04224	0.7
160.05186	61.9
161.05963	100.0
161.09557	5.5
161.13202	1.3
162.06271	2.1
171.08044	5.8
171.11693	3.6
174.06784	5.6
174.10330	0.7
175.37404	0.7
187.39748	0.6
189.05524	4.7
189.09085	81.7
189.12625	9.9
189.16312	4.8
190.09410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49517	0.7
55.01846	1.0
55.05496	2.7
57.07054	1.0
58.49122	0.7
66.05752	0.7
67.05484	2.7
67.12678	0.7
69.03416	4.7
69.07044	2.3
71.04958	1.2
71.32909	1.8
79.05457	2.6
81.03436	0.9
81.07046	3.3
83.04948	2.1
85.02873	1.2
91.05473	7.5
93.07015	3.2
95.04974	1.7
95.08600	0.8
103.05444	1.7
105.07015	16.6
107.04942	2.0
107.08568	3.1
109.06504	1.5
111.08105	0.8
115.05412	3.9
117.06995	3.8
119.08566	19.5
121.06469	0.7
121.10120	0.7
121.83509	0.7
128.06161	2.7
129.06999	3.8
130.07768	2.9
131.08557	9.3
133.06454	4.3
133.10138	6.9
141.06984	6.6
142.07747	1.3
143.04881	1.8
143.07545	0.9
143.08562	7.1
144.09293	1.3
145.06474	1.3
145.10112	18.4
146.10750	0.9
147.08029	9.6
147.10588	1.0
147.11690	16.5
148.12093	0.7
155.08542	1.9
156.09329	40.2
157.09669	1.0
159.08023	3.9
159.11670	11.1
160.08804	1.9
161.05954	2.7
161.09639	3.3
161.13264	5.8
162.05486	7.0
167.40356	0.7
171.04639	0.8
171.11674	53.5
172.11951	1.0
174.06786	0.8
174.10417	7.9
188.03790	0.8
189.05495	6.5
189.09135	4.6
189.12721	100.0
190.04942	3.8
190.13026	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06636	0.8
53.78038	0.7
57.03402	0.7
66.55724	0.7
67.05487	1.4
69.03429	3.5
69.07057	11.7
71.35466	2.2
73.06529	1.0
79.05478	2.3
81.07056	1.4
86.09676	1.3
87.10026	1.2
91.05470	7.8
93.07024	1.2
95.04953	2.0
95.08589	1.1
97.06522	6.3
103.05470	1.1
105.07015	11.1
107.08572	2.6
115.05426	1.9
115.07554	13.4
117.06991	3.3
119.04932	1.1
119.08564	14.5
121.06496	0.9
121.10122	1.3
128.06166	3.8
129.06996	6.2
129.11055	1.4
130.07767	4.2
131.04906	1.2
131.08571	6.1
133.06482	3.7
133.10078	5.6
135.08041	0.8
136.53316	0.7
141.06966	6.4
143.08571	6.1
144.09328	1.4
145.06488	1.1
145.10104	17.5
145.51978	0.8
146.07278	1.6
146.10872	1.2
147.08023	6.1
147.11668	14.1
148.05171	1.8
155.08530	1.5
156.09328	38.1
157.06464	1.4
157.09760	1.1
159.08058	2.8
159.11687	11.0
160.05222	2.0
160.08830	1.4
161.05963	10.8
161.09615	9.5
161.13239	2.8
162.05487	2.9
171.11670	57.0
172.12119	0.9
174.06789	1.8
174.10406	7.1
189.05396	1.2
189.09116	18.4
189.12721	100.0
189.16333	2.1
190.04877	1.1
190.13057	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	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.77775	0.4
70.06803	2.4
84.04539	0.6
91.05479	3.7
94.06556	0.5
98.05670	0.3
99.50305	0.3
103.05492	0.4
115.05436	4.4
117.05724	1.0
117.07002	2.9
118.06528	57.5
119.06892	1.3
132.08081	0.5
142.06503	5.0
143.07291	8.0
143.46983	0.5
144.04424	1.2
144.08070	23.0
145.06534	0.9
145.08380	0.6
146.05991	100.0
147.06357	2.2
155.05992	0.6
160.07535	1.3
170.05980	8.1
188.07040	33.3
189.07378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.44527	0.3
55.01865	1.4
55.05505	0.8
57.03422	0.4
58.77066	0.3
61.02926	0.6
67.05502	1.5
68.99795	0.6
69.03413	0.9
69.07082	0.4
70.06601	0.4
71.77601	0.6
77.03934	0.3
79.05474	1.5
80.64486	0.3
81.07043	1.1
83.04963	0.7
84.04453	0.5
84.08141	0.7
85.02913	0.6
90.01827	0.3
91.05463	8.1
93.07015	1.2
95.04950	0.8
95.08592	1.4
103.05415	0.7
105.03366	2.8
105.07020	7.8
107.04954	0.5
107.08585	1.0
109.10130	0.6
115.05438	10.3
115.06246	0.5
117.06989	2.1
119.04885	0.9
119.08568	5.5
120.08064	0.4
121.06501	0.6
121.10122	0.4
128.06201	5.9
129.06984	1.9
130.86786	0.3
131.04897	1.0
131.08540	1.7
132.05682	1.8
133.06482	8.0
133.10126	3.9
141.06972	0.4
143.04924	2.2
143.08531	7.8
145.06442	1.1
145.10136	2.5
146.07263	0.7
147.04419	1.7
147.08008	1.4
147.11691	2.3
149.02348	0.5
156.09331	1.2
157.06494	0.7
159.04378	0.6
159.08022	0.5
159.11630	0.5
160.05179	62.7
161.05956	100.0
161.09561	4.7
161.13217	0.9
162.05231	0.6
162.06299	1.4
171.08025	4.8
171.11635	2.8
174.06766	3.8
174.10326	0.4
189.05559	2.6
189.09077	76.9
189.12587	6.9
189.16327	3.6
190.04898	0.4
190.09390	1.4
207.02939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.00290	1.2
53.03937	2.2
55.01869	1.3
55.05502	8.9
57.03419	2.6
57.07054	2.4
59.04985	3.0
65.03941	1.2
67.05180	1.3
67.05494	12.7
69.03418	5.4
69.07053	20.0
70.06562	1.3
71.04983	28.5
71.80391	1.3
72.04481	1.1
72.08131	1.1
73.06550	1.0
77.69469	1.1
79.05482	17.1
81.03399	6.7
81.07045	100.0
82.07398	1.2
83.04964	8.5
83.08598	4.7
84.04508	7.9
84.08135	5.0
85.02911	6.2
85.06530	3.6
86.03218	1.5
86.09682	2.8
87.08083	1.6
88.02203	12.4
89.05989	1.0
91.05460	3.9
93.07014	6.7
93.08693	0.9
95.04933	4.6
95.08580	8.7
97.06518	8.5
97.10161	1.9
98.97549	1.7
99.04433	2.8
99.08088	5.2
101.06001	2.2
103.05476	1.1
105.07014	4.2
107.07914	1.5
107.08575	14.4
109.02850	3.1
109.06522	6.6
109.09409	1.5
109.10141	25.5
111.04437	1.2
111.08056	3.5
111.11721	7.9
114.05580	1.4
115.05895	1.1
117.07021	2.0
118.12442	0.9
121.10104	3.9
123.08054	7.3
123.11687	21.5
125.09612	1.6
126.05493	1.6
127.03920	6.9
127.05834	1.2
127.07545	2.4
128.02325	1.2
128.07051	1.5
129.06969	2.3
129.10181	1.3
131.04874	2.2
131.08527	4.4
133.10115	6.0
136.06155	1.0
139.11169	8.1
141.05452	3.0
141.06995	2.7
141.09087	2.2
144.05684	3.6
145.10097	1.8
146.05994	1.1
151.11151	14.7
153.69760	0.9
155.03391	4.2
157.12206	3.2
157.75142	1.1
159.06883	1.4
159.08051	4.8
169.05063	1.4
169.06403	1.6
169.08565	2.6
169.12271	7.6
170.08099	1.4
172.05180	2.6
173.00742	1.4
177.00742	1.1
187.02374	1.1
187.03838	4.6
187.05968	1.9
187.07474	12.5
187.11159	4.3
187.12781	3.4
187.14783	2.1
188.09192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1535
Annotation	Speciosin I
Peak:m/z	Relative Intensity
53.03934	1.7
53.87542	0.7
55.01871	1.3
55.05502	31.1
57.03427	4.7
57.07067	16.2
59.05000	6.5
59.26947	0.8
67.05499	8.4
69.03409	2.8
69.07058	100.0
69.79050	2.6
69.79461	3.1
70.06567	1.0
70.07393	1.3
71.04980	5.2
71.08611	4.5
73.06546	3.6
79.05478	7.4
81.07047	18.6
83.04962	3.2
83.08607	55.1
84.04478	1.8
85.02883	8.5
85.06528	2.2
85.10165	3.2
87.08057	1.1
91.05454	2.7
93.07029	27.3
95.04966	2.1
95.08588	12.6
97.02831	1.1
97.06521	7.7
97.10146	8.6
99.08073	1.8
99.62200	1.0
101.05997	1.8
102.32726	0.8
105.07027	2.1
107.08578	25.9
109.10143	11.9
111.08069	21.7
112.07590	2.4
113.04773	1.1
114.05521	8.6
115.07531	1.8
120.97878	1.0
121.06525	1.0
121.07611	1.2
121.10126	15.1
122.05979	0.7
123.08059	1.3
123.11694	5.7
125.05978	1.8
125.09624	5.5
125.13246	20.3
126.05492	9.2
127.11178	0.9
128.06201	1.5
129.06979	3.1
129.09096	1.1
132.70514	0.7
132.71588	0.8
138.98892	1.1
139.01808	2.3
140.07019	4.1
142.07787	2.0
143.08533	2.8
143.14288	2.9
144.17520	0.9
145.02785	0.8
149.07053	1.2
149.13239	39.9
150.13533	1.1
155.08417	1.1
157.06479	1.1
157.10112	2.8
163.01822	0.9
167.14285	20.1
168.06494	0.9
170.10826	1.7
181.02849	2.2
185.04498	1.6
185.05841	1.3
185.09502	2.7
185.10880	1.1
185.13255	5.0
185.15334	2.1
186.07570	4.1
186.09158	1.6
186.11176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1535
Annotation	Speciosin I
Peak:m/z	Relative Intensity
53.03936	1.4
55.01851	1.6
55.05505	32.3
57.03407	2.8
57.07067	14.5
59.04998	6.3
67.05496	7.1
69.03423	2.0
69.07060	100.0
69.81268	5.3
69.81680	1.7
70.07410	1.8
71.04990	5.0
71.05311	0.9
71.08612	5.1
73.06542	2.5
76.22858	0.8
77.92245	0.9
79.05493	6.0
81.07047	17.9
83.04958	3.4
83.08609	48.1
84.04481	1.7
85.02879	7.6
85.06524	1.6
85.10153	3.5
86.06030	0.9
87.08086	1.3
91.05455	3.2
93.07030	25.8
93.07587	1.7
95.04972	1.5
95.08594	13.6
97.06514	7.6
97.10159	8.2
98.06049	1.3
99.08096	1.8
101.05979	2.1
105.07006	1.6
107.06067	0.9
107.08582	26.5
109.10154	11.0
109.98892	0.8
111.08061	17.9
112.07559	1.2
113.09607	1.5
114.05502	9.8
115.07548	1.8
120.97881	1.3
121.00726	1.1
121.07632	1.5
121.10130	16.0
123.11713	5.4
125.05975	1.0
125.09608	6.3
125.13255	20.3
126.05508	6.6
127.03906	1.2
128.06194	1.1
129.06992	2.7
129.09076	1.5
138.98904	1.7
139.01822	2.0
139.11125	1.0
140.07036	3.5
142.07748	2.0
143.08527	2.2
143.14267	2.3
149.07104	1.6
149.13234	32.7
157.06464	1.5
157.10120	2.8
163.01801	0.9
167.08131	0.9
167.10628	1.9
167.14299	18.4
170.10909	1.8
179.55135	0.9
181.02859	2.6
183.20245	0.8
185.04404	2.0
185.05975	2.2
185.08012	1.3
185.09500	2.1
185.13210	6.5
185.15271	1.6
186.06114	0.7
186.07579	5.0
186.09061	0.8
186.11279	2.2
197.92789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03932	2.4
55.05506	16.2
57.03422	2.0
57.07066	6.0
59.04983	3.1
60.04492	2.0
63.21005	1.7
67.05493	27.7
69.03431	8.3
69.07055	10.5
71.04977	13.5
71.80968	2.0
79.05482	8.4
81.03397	6.4
81.07044	100.0
82.07391	2.0
83.08607	7.1
84.04482	12.7
85.02884	5.3
85.06533	9.1
87.04449	2.2
88.02200	15.1
91.05474	10.9
93.07034	10.5
95.04971	9.1
95.08591	26.2
95.55187	1.8
97.10158	10.2
99.04465	2.1
100.07587	1.8
100.19628	1.5
105.07019	10.1
107.08557	10.1
109.06501	3.4
109.10127	14.7
111.08084	2.6
113.05990	4.0
115.05386	2.2
117.06998	5.1
119.08543	4.2
121.10152	2.4
123.08083	2.9
123.11688	57.4
125.09618	3.7
127.11176	3.1
128.06215	2.7
128.07086	3.1
129.07004	6.8
131.04950	2.0
131.08563	15.9
133.10114	11.0
141.07027	4.1
142.03267	2.2
142.08600	2.0
143.08546	4.5
144.05693	4.4
144.09322	7.4
145.06496	4.8
145.10104	13.5
151.11133	10.3
157.10156	2.1
158.07277	2.1
159.08054	15.8
159.11671	17.9
169.10121	3.3
169.12277	5.3
170.08049	1.9
172.05164	1.7
172.08862	5.3
173.00768	2.5
187.03929	3.9
187.06003	2.8
187.07535	19.2
187.11166	51.2
187.12863	4.6
187.14839	7.2
188.09219	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
50.69527	0.5
53.03935	1.2
55.01856	1.7
55.05495	2.2
57.03426	15.6
57.53362	0.4
61.02935	0.7
67.05495	3.3
68.99785	5.1
69.03418	6.2
69.07050	1.6
69.88474	3.9
71.04985	6.7
79.05472	3.0
81.03410	1.3
81.07045	12.1
82.39226	0.5
83.04972	2.4
83.08605	0.7
85.02888	3.0
85.06544	1.4
91.05463	8.1
93.07024	2.2
95.04954	11.3
95.08591	4.7
97.06518	3.0
98.20705	0.8
98.98470	3.5
99.04436	25.9
105.03394	3.7
105.07025	2.7
107.04911	0.7
107.08585	2.0
109.06500	10.8
109.10133	3.3
111.04404	1.8
111.08041	0.8
113.02352	0.8
113.06004	0.6
119.04089	0.7
119.04922	11.8
119.08567	2.4
121.10157	2.2
123.04427	8.1
123.08047	3.1
123.11682	6.8
125.05990	0.9
125.09629	1.5
127.01572	0.7
127.03898	1.3
127.07489	0.6
129.05434	1.1
133.06467	0.6
137.05960	78.1
137.09538	3.8
137.13412	0.6
138.06316	1.8
140.04660	1.4
141.05443	1.9
147.04419	2.8
147.08035	0.9
147.11679	2.6
153.06960	0.6
155.06984	1.3
155.08568	0.6
158.34094	0.6
165.05458	62.5
165.09132	2.2
165.12686	1.9
166.05841	1.1
166.59338	0.5
183.06509	100.0
183.10022	2.4
183.13751	1.3
184.06906	1.2
198.60725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0966
Annotation	Nordephrine
Peak:m/z	Relative Intensity
53.03944	1.1
55.01854	3.1
55.05515	1.8
56.96557	0.5
56.97264	0.4
57.03434	1.0
60.04524	1.0
67.05498	4.0
68.05004	0.7
69.03422	2.2
69.07059	6.9
71.04973	0.7
71.80028	0.6
72.08144	0.6
73.02940	0.6
79.05489	2.0
80.05019	0.5
81.03404	1.0
81.07047	3.1
82.02927	1.4
82.06578	1.0
83.04998	2.5
83.08612	0.7
84.04499	0.7
84.05334	0.5
85.02913	1.3
85.06545	0.6
86.02422	1.2
86.06117	0.6
86.09701	1.5
87.04438	0.7
91.05475	1.7
93.07027	6.1
93.36610	0.4
94.06588	1.0
95.04959	3.3
95.07343	2.4
95.08592	16.5
96.04490	7.8
96.05299	3.7
96.08126	1.4
96.08896	1.0
97.02880	0.9
97.06525	1.9
98.06071	0.4
98.98484	0.7
99.04426	0.5
101.06017	0.9
101.95020	1.9
102.15138	0.5
105.03342	0.5
105.07029	0.4
106.03750	0.7
107.04941	0.7
107.08585	2.3
108.08112	0.5
109.02882	0.7
109.06480	1.0
109.10145	1.7
109.70470	0.5
110.06030	3.7
110.09665	11.7
111.04434	0.6
111.06826	0.5
111.08063	1.0
112.07593	0.8
114.05513	0.8
118.53648	0.4
119.01915	4.4
119.96033	1.0
120.08089	4.4
120.08867	1.0
121.06491	5.2
121.10118	1.8
123.04418	1.4
123.08038	2.2
124.03967	0.9
124.04754	3.6
124.07574	14.4
124.08384	0.5
125.02265	0.6
125.05975	1.7
125.09629	1.8
131.01843	0.5
137.02933	1.4
137.09570	1.1
137.97087	1.5
138.05461	1.3
138.09120	84.1
139.03880	1.0
139.07553	1.2
139.09444	1.5
139.11151	1.1
140.03639	0.4
140.07036	1.5
141.04991	1.5
142.03496	0.9
142.04959	4.3
142.08592	0.5
147.04401	0.6
148.07530	2.2
149.05951	1.4
156.07355	1.2
156.10138	1.0
157.06387	0.4
161.02933	0.8
166.04889	1.8
166.08614	100.0
167.06987	1.7
167.08952	1.9
167.10643	1.5
179.03995	0.5
184.05954	0.7
184.07405	0.9
184.09659	23.7
184.13255	1.3
184.16943	1.4
185.04341	0.6
185.05881	0.7
185.11673	0.5
197.02917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39361	53.6
70.56887	85.3
70.57283	90.3
85.39007	41.1
119.01904	98.1
120.01959	100.0
183.38570	50.4
185.02966	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0806
Annotation	2,3-dimethoxy-5-methylhydroquinone
Peak:m/z	Relative Intensity
53.00277	0.6
53.03939	3.5
55.01869	1.5
55.05505	8.4
59.04990	0.8
67.05495	5.3
69.03425	6.7
69.07056	5.1
70.93751	1.4
70.94094	0.9
71.04988	11.3
79.05476	2.7
81.07056	0.8
83.01319	4.5
83.04955	5.4
83.08610	5.5
85.02885	3.7
85.06509	1.1
91.05469	3.6
93.07039	12.1
95.04946	2.3
95.08584	2.2
97.02882	35.6
97.06520	14.1
98.06036	0.9
101.02373	1.5
101.94917	0.5
105.07061	0.6
107.04868	0.6
107.06082	0.8
111.04433	5.9
111.08070	37.0
113.02348	3.4
114.05508	3.9
114.56667	0.7
115.03931	0.6
117.42170	0.6
120.97896	1.1
121.06498	2.8
123.08017	0.7
125.05965	4.1
126.05504	3.0
129.05463	0.9
129.06984	0.7
139.07526	10.7
142.07755	1.1
143.08539	1.8
149.05959	0.8
149.07095	1.0
157.08583	4.3
157.09998	1.1
167.07028	22.1
185.08070	100.0
185.13123	3.0
186.08420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03943	1.8
55.01854	5.1
55.05501	12.7
57.03435	3.5
57.07058	3.7
59.04992	5.8
67.05490	6.2
69.03411	7.9
69.07063	13.4
69.93859	2.4
69.94280	7.8
71.04605	2.8
71.04986	43.3
73.02911	1.7
79.05485	18.3
81.07045	42.0
83.04974	6.5
83.08620	3.2
84.04529	1.6
85.02899	8.4
85.06514	5.3
87.55514	1.4
91.05474	6.0
93.07026	26.0
95.04974	6.3
95.08594	21.8
96.08913	1.4
97.06520	15.8
97.10142	4.2
100.83133	1.6
101.06022	4.3
105.07008	6.9
106.84844	1.7
107.04972	2.7
107.08578	23.9
109.06506	6.6
109.10108	2.8
111.04447	2.7
111.08061	9.5
113.05988	4.9
114.05543	6.3
115.03915	2.0
119.08562	1.4
120.97984	1.5
121.00818	2.0
121.06500	4.5
121.10132	100.0
123.08040	7.3
123.11687	23.3
125.05974	18.5
125.09608	12.6
126.05512	4.6
127.07468	1.8
131.08563	2.0
138.98865	1.8
139.01781	1.9
139.07521	4.8
139.09541	1.6
139.11169	41.0
140.07089	3.8
140.10561	1.5
141.06837	1.5
145.02884	1.8
149.07106	1.7
149.09581	15.4
157.10120	2.3
163.01846	4.1
167.07036	5.9
167.10640	30.5
173.70456	1.3
181.02869	5.8
185.04517	2.2
185.08165	1.8
185.09538	2.3
185.11774	20.8
185.13315	2.9
186.07593	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	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02382	0.8
53.03685	0.7
53.03938	12.1
53.75998	0.4
55.01862	4.5
55.05501	1.0
57.03430	1.0
65.03936	4.6
67.05495	9.1
69.03408	3.7
69.07052	0.5
70.27270	2.2
71.04971	1.4
77.03912	2.1
79.05483	1.9
81.03413	2.3
81.07043	2.8
83.04967	1.4
85.02887	1.6
85.06524	0.5
87.69830	0.4
91.05469	2.4
93.07018	2.3
95.04953	100.0
95.08595	4.8
96.05305	1.3
97.02856	0.6
97.06514	0.7
98.03594	0.5
98.21449	0.5
98.98456	3.4
99.04451	1.6
105.03397	3.1
105.04494	4.1
105.07034	0.9
107.04863	0.4
107.08601	1.0
109.06512	1.2
109.10143	2.6
110.03653	0.6
111.04441	1.9
111.08096	0.7
119.01939	0.5
119.08561	3.5
121.03993	0.8
121.06520	0.5
121.10152	0.7
123.04411	88.5
123.08031	3.2
124.04730	1.0
124.07559	2.4
125.02309	4.5
125.05982	0.7
125.09624	0.5
127.07560	0.5
129.05441	0.5
137.05942	0.8
137.09595	3.3
138.09123	0.8
140.04665	30.1
141.05188	0.6
147.08020	1.6
151.03880	1.0
155.07007	27.0
165.05440	0.6
165.09076	2.9
166.08582	0.8
183.04991	0.9
183.06526	8.5
183.08014	1.0
183.10031	1.6
183.11499	0.6
184.70915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02388	0.7
53.03712	0.9
53.03945	11.3
55.01870	3.6
55.05503	2.4
57.03423	1.1
63.45467	0.5
65.03926	4.0
65.37155	0.5
67.05499	10.4
69.03423	6.8
69.07054	1.0
70.48232	2.1
71.04988	2.2
77.03917	1.6
79.05473	1.4
79.37974	0.5
81.03396	2.7
81.07047	3.7
83.04975	3.2
85.02909	1.9
85.06515	0.6
87.04465	0.5
87.07809	0.5
91.05468	3.0
93.03385	0.8
93.07030	5.5
95.04961	100.0
95.08596	7.9
95.70260	0.5
96.05280	1.7
97.02879	1.2
97.06503	1.7
98.98457	6.7
99.04444	2.4
105.03385	6.1
105.04491	4.2
105.07027	1.7
107.08573	1.5
109.02850	0.7
109.06519	2.2
109.10145	4.3
111.04432	5.7
117.07103	0.6
119.01946	0.6
119.08557	5.5
121.10164	0.8
123.04420	95.8
123.08046	5.0
124.04723	1.2
124.07442	0.5
125.02339	3.8
125.05959	0.6
127.01564	1.6
127.07497	0.5
129.05515	1.1
137.05963	1.9
137.09599	6.1
138.09108	0.7
139.07506	2.2
140.04671	31.5
141.05412	0.7
147.08093	2.6
147.11703	0.6
152.31389	0.5
155.07016	28.6
156.07410	0.5
162.67798	0.6
165.05467	0.7
165.09087	3.5
166.05006	0.6
166.08498	0.7
169.78906	0.5
183.06506	7.3
183.08075	1.6
183.10185	4.3
183.11609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03933	0.5
55.01844	0.7
55.05275	0.4
55.05510	4.9
56.15629	0.4
57.03413	1.5
57.07059	1.9
58.02957	22.1
60.99220	0.4
65.03937	0.6
67.05502	13.3
69.03414	0.8
69.07063	47.4
70.06585	1.8
70.07393	0.7
70.31925	2.4
70.69289	0.4
71.04984	0.8
72.08150	0.7
74.06052	0.6
79.05481	4.6
81.07047	14.1
83.04969	1.4
83.08619	6.0
84.04510	0.5
84.08147	6.4
85.06522	0.7
86.06057	0.8
91.05469	2.7
93.07037	8.0
95.04961	1.4
95.08607	5.1
97.06517	3.0
98.06039	1.8
98.09669	1.9
98.10236	0.4
98.97581	0.6
98.98440	1.4
99.04476	0.5
100.07613	4.5
105.03385	0.7
105.07027	10.4
107.08587	13.4
108.08131	0.8
108.08849	0.4
108.58356	0.4
109.06503	1.9
109.10150	38.0
110.10510	0.7
112.07595	1.9
114.09162	13.9
116.98628	0.8
117.98956	0.6
119.08556	0.7
121.10132	1.5
122.10452	1.1
123.08086	0.9
123.11689	6.1
124.12019	0.6
126.09153	11.3
126.12786	1.0
128.10742	0.5
133.10118	25.9
134.10435	0.8
135.11682	14.4
136.07593	1.1
136.12013	0.6
137.13219	0.5
138.12775	13.9
140.14366	0.7
147.11676	3.8
151.11166	10.1
153.12740	10.3
154.15909	1.3
157.76282	0.4
164.11479	0.5
164.14320	1.8
165.12759	2.1
182.15396	100.0
183.06606	0.7
183.15794	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	182.1901
Annotation	Dicyclohexylamine
Peak:m/z	Relative Intensity
53.03915	0.5
55.01868	0.7
55.05506	13.5
57.03422	0.4
65.03902	0.4
67.05489	2.5
68.65772	0.4
69.03425	1.8
69.07047	0.6
69.20855	0.4
69.50280	4.1
69.50596	0.7
70.78217	0.3
71.04997	0.9
78.79413	0.4
79.05476	1.1
81.03423	0.4
81.07042	4.7
81.89627	0.5
82.06541	0.3
83.04967	1.0
83.08609	23.1
85.02886	0.7
85.06516	1.0
89.01569	0.3
91.05466	1.4
93.07024	1.7
95.04954	2.5
95.08608	2.5
97.06521	0.5
98.98450	1.3
100.11243	19.3
105.03429	0.8
105.07021	0.9
107.08538	0.8
108.08929	0.8
109.06540	0.4
109.10124	1.7
111.04427	0.4
112.23759	0.3
119.08556	1.6
121.10126	0.5
122.06039	0.5
122.10469	1.3
123.04406	1.7
123.08013	0.9
123.11704	2.7
125.95094	0.4
127.07543	0.5
136.03983	0.4
136.07529	1.5
137.09576	1.7
147.11658	1.0
154.08652	0.6
155.06966	0.4
155.08499	0.5
164.07060	0.6
164.15140	1.5
165.09094	1.2
165.12721	0.6
182.00949	0.5
182.04300	0.5
182.08105	0.5
182.19023	100.0
183.02859	0.4
183.06549	0.4
183.07974	0.5
183.10075	0.4
183.13733	0.6
183.19371	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	183.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01627	1.5
55.01862	9.0
56.96300	1.9
56.96563	21.2
57.03427	24.1
58.99850	2.4
59.05003	1.4
61.02925	17.5
67.05508	3.8
69.03422	36.8
69.07042	2.0
69.74592	8.8
69.75008	3.0
71.04992	3.8
73.02911	49.7
73.03325	3.0
74.13835	1.4
74.64708	1.4
77.00876	1.7
77.03896	1.7
79.05486	1.7
81.03418	11.0
81.07047	2.3
82.99850	1.6
83.04972	6.0
84.01579	2.3
84.04486	4.6
85.02894	33.1
86.03259	2.0
86.09679	10.5
86.99310	1.5
87.01916	2.4
87.04449	2.3
88.02695	3.1
92.05834	2.2
93.01906	3.9
94.02663	5.0
95.04961	10.9
95.08559	1.9
96.02434	2.0
97.02873	23.8
98.01274	2.0
98.97552	7.2
98.98450	9.8
99.04439	8.9
100.02622	3.0
101.00878	21.1
102.00945	1.7
102.01733	1.7
102.02376	10.2
103.02467	1.5
103.03266	2.0
104.10758	5.6
105.00410	2.0
105.02020	1.9
105.03374	7.3
107.03468	2.4
108.02380	3.9
109.02862	9.2
109.06528	2.5
110.97506	1.8
111.02237	2.3
111.02910	12.0
111.04447	3.4
113.00915	3.5
113.02357	2.9
114.02407	4.2
115.02418	5.3
115.03159	3.4
115.03921	1.8
116.98611	5.8
117.02921	4.1
118.03601	1.7
118.98256	1.8
119.01903	100.0
120.01927	3.4
120.03396	3.7
120.05254	3.1
121.01651	1.7
121.03091	1.8
123.02946	7.7
123.04391	9.2
124.99993	10.6
127.02460	1.8
127.03915	10.2
128.02325	7.4
128.98561	3.0
129.02914	6.7
129.03842	1.8
129.05557	2.4
129.52953	1.7
131.00201	3.0
131.01880	22.6
132.03459	9.1
133.03506	4.2
134.99646	3.8
136.07596	2.0
137.02931	29.8
137.05972	1.6
137.07927	7.7
138.03447	7.2
138.05490	2.4
142.03493	29.5
143.01891	31.4
144.02249	2.1
144.03340	7.4
145.03444	15.3
145.04913	1.9
146.03563	1.6
146.99632	2.8
147.01407	3.6
147.03935	5.5
147.54019	1.9
148.04785	2.4
149.01215	4.6
149.02965	6.0
153.03972	5.5
155.01868	22.2
155.07056	1.7
156.02071	2.5
157.03427	14.1
160.04495	15.4
160.97575	2.3
161.02940	41.4
161.04274	3.0
162.03128	5.8
162.04407	3.1
163.04518	2.4
165.03969	1.8
165.05418	2.6
165.09082	1.9
166.05888	3.0
167.01859	7.5
169.03432	3.1
173.02930	36.4
173.04420	2.3
174.03134	5.0
175.02742	2.0
175.04507	4.1
178.05615	1.9
179.03969	10.2
183.08075	4.7
183.09854	1.7
184.04590	3.3
184.07372	10.9
184.09695	2.8
185.02930	29.1
186.03096	4.3
187.02792	1.5
187.04526	3.0
191.04037	3.1
196.04517	2.5
197.03030	3.3
201.00722	3.9
202.05704	1.7
203.04010	15.0
204.04239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03928	1.7
55.01854	3.0
55.05493	1.0
56.05031	0.9
56.96560	17.8
57.03435	6.1
60.04517	0.8
61.02919	5.2
64.95512	0.5
65.03915	0.7
67.05484	0.8
69.03423	9.5
71.04970	1.9
71.17690	0.5
71.80297	0.6
71.95245	0.7
73.02909	8.1
74.97598	0.6
77.00882	0.6
78.95240	0.7
81.03416	2.7
81.07025	1.1
83.00755	0.9
83.04961	1.4
83.08604	0.7
84.01580	0.9
84.04509	1.3
84.96035	2.8
85.02898	9.5
86.06063	0.6
87.04479	0.8
89.00748	0.8
90.01520	0.8
91.05472	25.9
91.74641	0.5
92.01277	0.9
92.05820	1.2
93.01933	0.6
93.07035	0.8
93.23473	0.5
94.06548	0.8
95.01273	0.7
95.04955	12.9
96.01514	0.5
96.04506	0.8
97.02885	7.2
97.52088	1.3
98.01253	1.0
98.97571	8.9
98.98452	1.5
99.04450	2.1
99.97915	1.2
100.02480	2.0
101.00883	2.8
101.01460	0.6
102.02388	1.5
103.02357	0.9
103.03148	0.7
103.03909	0.9
103.05389	0.6
104.01285	0.6
104.52816	0.8
105.03380	1.1
107.01781	0.5
107.04958	1.0
108.01523	0.6
108.08101	1.8
109.02853	3.4
109.06490	1.7
110.01244	1.4
110.97558	1.1
111.02145	0.9
111.02937	2.1
111.04433	0.6
113.00827	1.2
113.02359	2.1
115.02396	1.9
115.03935	0.7
116.98614	9.2
117.02900	0.7
117.98965	2.2
118.01125	0.6
118.03565	2.0
118.06550	1.8
119.01878	14.7
119.04926	33.6
119.97907	0.6
120.02338	0.5
120.03466	0.7
120.05272	0.8
121.06487	1.0
122.06019	8.0
122.10456	1.8
123.04416	46.4
124.04800	0.7
125.01768	0.8
127.03929	2.3
128.02301	4.1
128.98593	1.9
129.02927	1.0
131.00221	0.8
131.01892	9.8
132.03429	1.1
133.01619	0.9
133.03447	2.1
134.99649	6.9
135.99977	1.7
136.04727	1.9
136.07562	100.0
137.02937	3.0
137.05936	1.0
137.07899	2.3
138.03389	1.5
138.05510	0.9
140.02344	0.7
140.03322	0.5
140.06970	0.6
140.98592	1.5
142.03517	4.3
143.00136	1.0
143.01889	4.3
144.99808	1.2
145.03424	4.1
145.05135	0.6
146.03206	1.0
146.99640	2.2
147.01303	0.8
147.04379	16.0
148.04665	0.8
149.01181	2.4
149.02937	3.6
151.02568	0.5
151.04472	0.6
153.00696	0.9
153.03931	1.2
154.03545	3.2
154.04713	0.7
154.08609	1.2
155.01878	4.0
155.06967	0.6
156.05006	0.6
157.03426	1.5
158.01244	1.5
158.99629	5.8
159.01439	1.5
159.03198	0.7
159.05052	2.8
160.04556	3.3
161.01225	1.8
161.02943	6.8
161.05551	0.8
163.04504	0.8
163.96861	0.6
164.04315	4.1
164.05597	0.9
164.07076	2.4
165.00691	0.7
165.04140	1.4
165.05455	34.8
166.05795	1.2
166.98552	0.6
167.02002	1.6
170.99686	1.2
172.02925	0.9
172.04552	1.0
173.01321	1.0
173.02945	7.5
175.02844	0.7
175.04453	0.9
176.02310	0.7
177.00722	9.6
177.02452	2.5
177.04124	1.0
177.06058	1.4
179.04041	0.7
181.97900	1.1
182.00931	0.8
182.03032	1.0
182.04578	1.4
182.08113	15.1
182.09694	1.0
182.11679	1.1
182.19046	1.2
182.99619	0.9
183.06416	0.8
183.07883	0.7
185.02928	4.2
187.04459	0.7
189.00749	1.5
189.02437	0.7
193.00256	0.7
195.01808	1.0
195.03624	0.7
195.07140	0.6
197.02975	1.1
200.02318	0.5
200.04018	1.6
201.00720	2.4
203.04034	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	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.48252	1.0
53.03925	2.4
53.75520	1.0
55.01831	1.3
55.05493	3.5
55.24304	1.4
56.96544	1.3
57.03405	1.5
57.06804	1.5
57.07067	28.2
59.04985	2.6
67.05486	1.3
69.03413	2.0
69.07053	4.7
69.84076	2.9
69.84486	6.0
71.01347	1.3
75.40185	1.0
76.92015	1.2
79.05473	12.5
80.33034	1.1
81.03406	7.2
81.07056	6.2
83.04968	59.3
91.05460	3.6
93.07043	11.3
95.04959	20.4
97.06516	33.2
98.97578	7.7
105.07050	6.1
107.04909	3.4
107.08581	10.8
115.34055	1.1
116.97247	2.0
116.98598	10.9
117.03336	1.6
117.06979	2.8
119.08530	3.6
121.06477	3.3
121.10134	33.8
122.42075	1.3
123.08046	2.0
125.05975	99.8
126.06308	2.3
126.19708	1.4
130.07762	1.9
134.99634	12.8
135.04384	1.6
135.11664	8.9
140.00119	2.0
145.10097	12.8
153.00693	2.7
153.05437	1.4
158.01231	3.7
162.21176	1.3
163.03813	5.7
163.11163	100.0
164.11516	2.9
166.07709	1.4
176.02255	1.1
181.04947	6.3
181.08540	3.3
181.12207	47.1
182.12688	1.2
182.18991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Dihydroactinidiolide
Peak:m/z	Relative Intensity
53.03926	0.4
55.01852	0.6
55.05508	1.6
56.96554	1.1
57.07055	0.6
59.05015	0.4
61.60736	0.3
63.33076	0.3
67.05494	0.6
68.99780	0.4
69.03413	0.6
69.07056	1.2
70.68008	0.3
71.06651	0.3
71.06988	0.6
79.05484	5.2
81.06639	0.2
81.07057	2.0
83.04964	1.3
83.08620	0.4
84.18078	0.3
91.05460	2.8
93.07032	19.1
94.07368	0.6
95.04958	1.1
95.08599	1.0
97.06527	2.1
97.96665	0.3
98.97579	5.4
103.05461	0.9
105.07016	9.2
106.07875	0.3
107.04980	0.3
107.08583	9.5
108.08920	0.3
116.98608	4.4
117.07007	0.3
119.08569	4.5
121.06470	1.0
121.10131	100.0
122.10446	2.8
123.08080	3.0
125.05966	1.6
129.02296	0.4
133.07591	1.0
134.99641	2.9
135.04404	0.4
135.11681	10.9
137.09642	0.3
139.07545	1.4
139.11180	1.1
140.00200	0.7
145.10132	1.4
147.03239	0.4
158.01288	0.6
163.03870	1.7
163.11171	6.1
163.12451	0.5
181.04956	0.7
181.08661	0.4
181.12212	7.2
181.13818	0.5
182.12524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	2.2
55.01841	1.9
55.05490	3.8
56.96550	1.7
57.03414	1.3
65.03902	1.8
67.05482	4.0
69.03415	2.1
69.07047	4.0
71.04978	3.9
79.05485	16.5
81.07046	12.2
83.04964	2.0
83.08617	1.2
85.02881	1.1
91.05468	9.6
93.07030	24.6
95.04961	6.1
95.08595	6.8
97.06524	5.9
98.97577	12.9
103.05492	1.6
105.07011	15.6
107.04939	5.5
107.08578	16.4
109.06484	3.2
109.10134	6.9
111.04435	2.8
111.08087	2.6
116.98601	14.8
117.07012	1.9
119.08550	4.1
121.06503	10.2
121.10126	100.0
122.10435	2.5
123.08055	8.8
125.05965	4.5
130.07744	1.7
134.99651	11.5
135.04391	6.6
135.08096	1.6
135.11673	16.3
137.09616	1.2
139.03906	1.3
139.07539	5.1
139.11171	5.2
139.74126	1.0
145.10098	17.3
146.10370	1.0
149.05942	2.8
151.03857	1.2
153.05447	1.8
153.06898	0.9
153.12663	1.5
158.01218	1.4
163.03828	7.8
163.11159	25.3
181.04994	4.6
181.06250	0.9
181.08615	2.6
181.12212	45.0
181.15714	1.7
182.12633	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03930	1.5
55.01858	3.1
55.05499	3.3
56.96571	0.8
57.03425	1.4
57.07067	31.3
59.04990	3.0
65.03927	1.4
67.05491	4.2
69.03423	3.7
69.07062	4.3
70.06574	1.3
70.33482	2.2
71.04974	2.0
71.62434	0.8
79.05478	18.9
81.03407	7.7
81.07048	7.6
83.01328	2.9
83.04970	57.3
83.08617	0.9
85.02877	1.3
85.06538	0.8
89.03881	1.5
89.15649	0.6
91.05471	10.5
93.07032	15.1
94.07354	0.8
95.04954	21.3
95.08584	1.6
97.06519	33.2
98.97568	4.6
99.04429	3.4
103.05450	0.8
105.07025	7.8
107.04948	4.9
107.08578	24.7
109.06511	2.4
115.05409	1.3
116.98579	4.0
117.03339	2.0
117.06992	3.0
119.06044	1.0
119.08570	3.8
121.06509	4.6
121.10128	24.7
121.11007	1.3
122.10471	1.8
123.04389	0.8
123.08029	2.0
125.05975	92.2
126.06318	1.7
130.07750	1.9
134.99644	2.8
135.04408	5.8
135.07085	1.0
135.08031	12.5
135.11682	6.6
136.07536	1.5
137.05952	1.0
139.07448	0.9
139.13065	1.9
145.02814	2.3
145.10100	9.7
148.08734	0.7
149.02339	2.5
149.05972	1.0
159.35287	0.7
163.03900	16.7
163.07526	5.8
163.11163	100.0
164.11522	1.5
177.95238	0.7
181.04997	3.4
181.06407	1.4
181.08559	2.0
181.12210	37.8
182.12534	1.4
192.90446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03909	1.4
55.01871	1.4
55.05497	2.0
55.80436	1.4
55.83241	1.4
57.07069	29.7
57.70668	1.4
59.04986	2.2
62.80876	1.2
67.05489	2.0
67.36005	1.3
69.03429	1.7
69.07054	6.1
69.87051	5.3
69.87483	4.2
72.55291	1.4
76.83649	1.4
79.05486	10.2
81.03407	8.6
81.07038	6.1
83.04973	55.7
90.87947	1.4
91.05463	2.4
93.07019	9.2
95.04957	20.7
97.06524	40.7
98.97572	8.1
105.07008	7.9
107.04957	3.5
107.08584	11.1
108.96217	1.4
116.98603	9.4
119.08582	2.8
121.06486	4.3
121.10127	30.2
123.08050	2.2
125.05975	98.4
127.21062	1.4
130.07800	1.5
134.99623	10.2
135.04381	1.7
135.08067	1.6
135.11728	7.1
140.00145	1.8
145.10103	10.5
153.00706	2.1
159.90013	1.3
163.03903	6.5
163.11166	100.0
164.11542	3.4
170.04501	1.3
181.04909	1.6
181.08540	2.5
181.12213	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	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.91571	0.6
55.01857	1.1
55.05489	1.7
57.07045	1.8
59.04988	2.0
61.94118	0.6
64.99493	0.6
66.34041	0.7
67.05491	1.0
69.03397	0.8
69.07069	3.2
69.68768	1.4
69.69176	4.3
79.05489	6.0
81.07063	5.8
83.04933	1.5
83.08613	0.7
88.26111	0.6
91.05464	2.3
93.07040	16.5
93.21937	0.6
95.04956	1.1
95.08595	11.0
96.02403	0.7
96.36486	0.7
97.06506	1.6
98.97573	5.0
103.09957	0.6
105.07023	3.6
106.75813	0.7
107.08582	24.0
109.10158	1.1
110.19552	0.6
111.04457	1.1
111.08047	1.0
112.89461	0.6
116.98615	4.4
119.08577	4.2
121.06519	3.3
121.10135	50.9
121.69381	0.7
122.10481	1.0
123.08059	3.8
125.05975	3.1
133.07597	0.8
134.83719	0.8
134.99660	2.7
135.07997	0.9
135.11687	35.9
137.13249	0.8
139.07558	5.7
145.10101	8.7
153.00598	0.7
153.12698	2.4
163.03894	0.9
163.09781	0.9
163.11169	27.0
181.12218	100.0
182.12531	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	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01873	2.2
55.05494	2.9
57.07067	28.9
59.04985	2.3
64.82941	1.8
67.05490	2.7
69.03416	4.6
69.07050	4.9
71.79800	3.5
79.05492	15.3
81.03409	7.8
81.07046	8.2
83.04970	57.4
91.05473	4.9
93.07030	14.4
94.33722	1.9
95.04940	16.8
97.06520	30.1
98.97569	2.5
100.69025	1.9
105.06999	9.6
107.04968	3.4
107.08586	14.9
109.10199	2.3
116.97290	2.2
116.98596	3.3
117.03413	2.2
119.08555	5.4
121.06490	3.8
121.10121	66.4
123.08056	3.8
125.05972	91.9
134.99622	9.5
135.04344	2.9
135.11693	11.2
145.10115	10.3
158.01277	2.3
163.03900	10.5
163.11160	100.0
164.11537	3.2
181.08592	4.5
181.12193	47.3
197.89568	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	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.25773	0.2
53.03915	0.3
57.69300	0.3
65.03895	0.4
69.52718	1.1
69.53142	2.1
79.05488	2.8
79.72692	0.3
88.17753	0.3
89.03907	11.3
90.04263	0.3
91.05458	1.1
93.03372	0.6
95.04941	0.5
98.97565	2.2
107.04945	4.6
111.04441	0.6
116.98597	1.9
117.03363	15.1
121.10093	1.0
134.99649	0.8
135.04401	31.3
136.04695	0.9
139.03889	0.3
145.02834	19.1
146.03145	0.6
163.03883	100.0
164.04228	3.2
170.56958	0.3
181.04956	1.3
186.05373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	0.9
55.05508	0.5
55.16681	0.2
56.96562	0.9
57.03426	0.3
57.07074	0.4
61.45429	0.2
63.02384	0.6
64.04073	0.2
64.16731	0.2
65.03937	0.7
67.05502	1.0
69.03421	0.5
69.07050	0.6
70.46226	0.8
71.04977	0.4
77.03918	0.3
79.05038	0.3
79.05488	4.6
81.03410	0.3
81.07039	1.4
83.04974	0.7
84.08158	0.3
85.02888	0.6
85.06554	0.3
88.85229	0.2
89.03909	11.6
90.04267	0.2
91.05475	3.6
91.97156	0.2
93.03420	0.4
93.07044	3.0
95.04958	1.3
95.08620	0.5
97.02884	0.4
97.06522	0.7
98.20756	0.2
98.97572	4.4
103.05482	0.6
105.07021	0.9
107.04951	5.9
107.08582	1.9
108.08120	0.6
109.06520	0.6
111.04415	1.1
111.08062	0.3
116.98615	5.8
117.03370	15.5
117.06997	1.2
118.03687	0.4
119.04922	1.0
119.08573	0.4
121.06488	1.7
121.08429	0.2
121.10142	3.4
122.03619	0.3
122.06850	0.4
123.04395	0.4
123.08064	0.3
125.05991	1.2
125.09631	0.4
126.05520	0.4
130.65607	0.2
134.99657	4.4
135.04404	34.2
135.08023	3.1
135.11647	0.9
136.04797	0.7
136.07564	1.8
137.05974	2.3
139.03864	0.9
139.07550	0.4
140.00169	0.3
145.02840	20.8
145.10115	0.5
146.03152	0.6
146.29391	0.2
151.07521	0.5
152.12929	0.2
153.00710	0.8
153.05505	0.4
153.09103	0.4
154.08583	0.3
158.01248	0.5
158.05936	0.3
163.03891	100.0
163.11110	1.3
164.04268	2.6
164.07028	1.1
181.05032	2.7
181.06427	0.4
181.08488	1.3
181.12216	1.5
182.00977	0.3
182.08095	1.0
186.05475	0.4
188.65428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05498	0.2
56.96581	0.4
63.02364	0.2
65.03912	0.3
67.05487	0.2
69.03417	0.5
69.78866	0.7
69.79297	0.7
71.10246	0.2
72.04532	0.2
73.40795	0.2
76.52582	0.2
77.03910	0.2
79.05481	1.0
81.03387	0.3
85.02902	1.0
89.03896	0.8
91.05470	1.6
92.05782	0.3
93.07043	2.3
95.04959	0.7
97.02875	0.5
98.97570	2.7
99.04458	0.2
102.86264	0.2
103.05453	5.8
104.05794	0.3
105.03324	0.2
105.07001	0.4
106.07352	0.2
107.04929	0.8
107.08589	0.6
108.04456	0.9
116.05769	0.3
116.98619	2.8
117.03367	0.9
118.06535	0.3
119.04977	0.2
120.08093	100.0
121.02799	0.2
121.06503	5.1
121.08433	2.4
121.10113	0.4
123.04464	0.2
123.84528	0.2
124.04762	0.4
124.62383	0.2
125.05948	0.2
127.03922	0.5
128.69308	0.2
131.04924	1.4
134.03235	0.3
134.05962	0.4
134.10454	0.2
134.99654	2.2
135.04407	3.0
135.08034	1.0
137.05972	0.3
138.05460	0.2
140.63115	0.2
145.02853	1.3
148.04704	0.2
152.07027	0.5
153.00687	0.5
153.05415	0.3
158.01265	0.4
162.06393	1.4
162.09138	0.4
163.03897	6.1
163.07558	1.5
163.11148	0.2
180.03751	1.9
180.07527	2.6
180.10123	4.9
180.13708	0.3
181.05022	1.2
181.08818	0.2
181.10571	0.2
181.12221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	3.7
55.01858	4.3
55.05506	12.2
56.96540	3.6
57.03428	5.8
57.07056	1.3
59.04969	0.9
65.03917	2.2
67.05494	45.8
69.03411	2.8
69.07059	12.4
71.04982	4.8
77.03886	1.1
79.05482	29.6
81.03429	0.9
81.07043	100.0
82.07374	1.7
83.04968	10.6
83.08613	9.9
85.02892	1.0
85.06536	5.9
91.05466	32.4
91.24133	0.8
92.05756	1.1
93.07028	39.1
94.07363	1.1
95.04960	7.5
95.08593	75.8
96.08932	1.3
97.06523	15.4
97.10134	1.4
98.98423	1.2
99.08086	12.0
103.05459	1.0
105.07014	35.9
107.04915	1.3
107.08580	17.6
108.04436	1.4
109.02805	0.9
109.06506	5.8
109.10145	6.9
111.08089	5.0
112.17650	0.9
113.08942	1.0
113.09615	5.9
114.19614	0.8
117.06999	2.5
119.04957	3.7
119.08560	47.8
121.06426	0.9
121.10121	12.6
123.04388	4.0
123.08044	7.3
123.11700	1.7
130.67159	0.8
131.08598	1.2
133.02792	1.9
133.06456	2.1
133.10106	32.0
134.06003	1.0
134.10452	1.0
135.11671	25.8
137.05911	1.3
137.09564	4.3
137.13261	1.9
147.04382	5.3
151.03909	1.8
151.07512	2.5
151.11169	3.0
151.14714	1.4
161.05948	3.1
161.09587	2.5
161.13235	76.6
162.13560	1.9
164.03995	1.5
165.65346	0.7
166.13124	0.7
179.01801	0.6
179.03360	13.9
179.06519	6.9
179.08365	1.4
179.10764	5.7
179.14284	93.0
180.06621	2.5
180.08086	1.1
180.10132	1.5
180.14592	2.7
180.94664	0.8
191.22314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	0.7
55.01871	3.3
55.05498	4.0
56.96558	0.4
57.03429	3.0
57.07069	0.5
59.04994	1.1
61.23538	0.3
65.03941	1.0
67.05492	13.7
67.05849	0.8
69.03401	1.8
69.07056	5.6
69.58730	3.5
71.04984	2.0
73.02920	0.4
77.03920	0.6
79.05479	12.8
79.07607	0.4
80.04984	0.4
81.07044	33.7
82.07374	0.5
83.04964	3.4
83.08607	1.4
85.02877	0.8
85.06530	2.7
91.05465	25.9
92.05801	0.6
93.07030	19.6
94.07373	0.4
95.04954	8.1
95.08591	29.3
97.06506	9.1
97.07098	0.7
97.10133	0.4
98.98470	0.5
99.08084	2.9
103.05439	0.9
105.03372	1.0
105.07014	40.2
106.06572	0.4
106.07352	0.7
107.04934	0.5
107.08575	9.9
108.04471	1.1
109.06503	3.8
109.10145	8.5
111.04444	0.5
111.08090	2.0
113.09589	0.4
115.05406	1.1
117.03364	0.4
117.07008	2.7
118.07763	1.0
119.04922	5.4
119.08562	46.3
120.08103	0.7
120.08916	1.3
121.06507	3.4
121.10123	7.1
123.04404	3.8
123.08053	4.8
123.11671	1.9
131.08574	3.2
133.02823	1.7
133.06516	2.6
133.10109	100.0
133.93414	0.4
134.05936	0.8
134.10434	2.7
135.04431	0.7
135.08020	0.7
135.11674	12.0
136.05251	0.5
136.07529	0.6
136.11975	0.4
137.02403	0.4
137.05997	1.8
137.09593	6.3
137.13255	1.1
139.01581	0.5
143.08563	0.8
147.04385	6.5
147.88159	0.4
149.09615	0.8
151.03906	1.7
151.07529	1.7
151.11159	6.5
151.14815	0.4
152.06929	0.6
159.11598	0.5
161.02321	0.4
161.05954	5.0
161.09589	6.6
161.13234	35.6
162.05431	0.4
162.09010	0.5
162.13557	1.1
164.04327	0.4
166.17639	0.4
172.01559	0.4
179.03368	20.6
179.07106	5.7
179.08994	0.8
179.10651	17.2
179.14267	42.9
180.03654	1.4
180.06445	0.7
180.10146	0.5
180.14597	1.5
194.01434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03926	2.6
55.01867	5.1
55.05508	8.0
56.96544	3.6
57.03427	4.9
57.07053	2.4
58.46640	1.0
59.04987	1.1
65.03928	2.8
67.05498	39.9
68.99709	0.7
69.03407	3.1
69.07066	9.9
70.20854	0.8
71.04983	10.0
71.81874	1.0
77.27692	0.8
79.05486	24.3
81.07047	100.0
82.07376	2.1
83.04961	4.4
83.08637	4.6
83.09061	1.0
85.02869	1.5
85.06534	5.0
91.05471	26.0
93.07034	26.1
95.04964	6.9
95.08594	89.9
96.04546	1.1
96.08913	2.0
97.06516	13.1
98.98457	1.9
99.08099	5.6
105.03370	2.8
105.07018	27.7
106.06564	1.2
107.04939	1.1
107.08573	11.5
108.04495	1.4
109.06506	4.5
109.10140	12.6
111.08059	3.8
113.09702	0.9
117.06997	1.5
119.04935	8.6
119.07729	1.7
119.08569	35.8
120.08834	1.0
121.06467	1.2
121.10130	10.0
123.04426	4.9
123.08049	6.4
123.11688	6.0
132.41833	0.8
133.02797	2.9
133.06477	3.4
133.10115	26.3
134.05940	1.1
135.11684	13.6
136.02176	1.0
137.05934	1.5
137.09547	3.2
137.13231	1.6
144.02573	1.8
146.03618	1.3
147.04388	12.2
151.03911	1.2
151.07515	2.9
151.11157	3.4
152.07115	1.0
161.05948	4.7
161.09596	3.1
161.13240	55.3
162.13574	1.5
163.03893	3.6
164.03932	0.9
179.03384	16.8
179.06808	7.8
179.08472	1.9
179.10750	6.2
179.14288	72.2
180.02725	0.9
180.06514	1.5
180.08223	1.1
180.10068	1.5
180.14630	2.2
193.01364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03952	0.9
55.01874	3.8
55.05500	6.0
56.96555	0.9
57.03418	7.8
57.07051	1.5
65.03913	1.7
67.05492	31.2
69.03415	2.8
69.07056	5.4
71.04987	4.9
71.07282	0.9
71.07643	2.3
77.08795	0.8
79.05481	22.6
81.03353	1.4
81.07043	75.5
83.04973	7.6
83.08594	3.2
85.06537	6.0
85.49085	0.7
85.80540	0.9
91.05463	27.7
93.07035	35.2
95.04952	5.9
95.08591	68.1
96.08902	1.2
97.06517	14.7
97.10154	1.1
99.08076	5.6
103.05437	0.8
105.03320	0.9
105.07016	32.7
107.04915	1.0
107.07821	0.8
107.08570	16.9
109.06498	4.3
109.10129	5.1
111.08076	6.0
113.09628	0.9
117.06999	2.1
119.04945	7.4
119.08564	51.4
121.10117	15.1
123.04388	3.9
123.08045	8.9
123.11737	1.7
131.08536	0.9
133.02820	1.1
133.06480	1.9
133.10109	33.5
135.11674	30.0
136.11978	1.4
137.05946	1.6
137.09589	3.5
137.13214	3.2
144.48146	0.9
147.04393	8.8
148.87787	0.8
151.07539	1.5
151.11147	2.4
151.14766	1.2
161.05984	2.8
161.09593	2.2
161.13240	89.2
162.13531	2.0
179.03372	9.6
179.06924	4.9
179.08568	3.1
179.10884	4.5
179.14284	100.0
180.14598	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	1.6
55.01863	2.1
55.05502	6.7
57.03429	6.0
57.07055	1.0
65.03935	0.9
67.05495	31.6
69.03417	2.3
69.07060	6.3
71.04981	3.2
71.07388	0.7
71.07722	1.5
79.05482	19.2
81.07045	72.6
82.07369	1.4
83.04966	6.0
83.08601	2.1
85.06534	6.6
91.05463	23.3
91.06044	1.2
93.06136	0.9
93.07034	34.0
95.04960	3.9
95.08592	69.0
96.08945	0.7
97.06520	13.7
97.10171	0.8
97.34577	0.6
98.73745	0.7
99.08082	7.8
105.07018	30.2
106.07389	0.8
107.08577	15.5
109.06497	4.1
109.10145	6.4
111.08076	3.9
117.07004	1.5
119.04922	1.4
119.08564	47.3
120.08913	0.6
121.10126	16.5
123.04379	1.8
123.08059	6.5
123.11623	1.3
133.06514	1.1
133.10115	29.4
135.11673	30.7
137.09605	2.5
137.13246	1.8
147.04369	2.3
148.93924	0.9
151.11159	1.4
151.14772	1.3
159.11649	1.0
161.05795	1.2
161.13239	83.0
162.13556	2.8
179.03340	3.5
179.14287	100.0
180.14616	3.2
181.20557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02371	0.6
53.03953	1.3
55.01862	3.7
55.05507	4.1
56.68790	0.4
56.96552	0.6
57.03423	3.6
57.07066	0.9
59.04987	0.7
63.22276	0.4
65.03930	1.3
67.05492	18.0
68.05846	0.4
68.99760	0.5
69.03419	2.0
69.07059	6.7
70.06599	0.4
71.04978	3.4
71.81727	0.9
73.66275	0.5
74.49748	0.4
79.05481	15.2
81.03416	1.2
81.07043	41.3
83.04975	4.7
83.08633	2.1
85.02904	0.8
85.06532	3.7
91.05467	26.3
92.05795	0.6
93.07033	22.0
94.07320	0.5
95.04954	7.6
95.08595	35.0
96.08926	0.7
97.06513	10.9
98.98441	0.6
99.08087	3.6
103.05475	1.3
105.03388	1.9
105.07018	41.1
106.06621	0.4
106.07349	1.2
107.04936	2.0
107.07909	0.9
107.08585	11.5
108.04483	1.1
108.08881	0.5
109.06509	5.5
109.10143	8.0
111.08066	2.7
113.09615	0.5
115.05447	1.5
117.07001	2.9
118.07755	0.6
119.04129	0.7
119.04911	4.7
119.08566	49.2
120.08096	0.6
120.08871	0.8
121.06484	3.4
121.10137	9.2
123.04407	5.3
123.08051	5.3
123.11693	1.5
127.07542	0.6
131.08546	2.6
133.02872	1.9
133.06487	2.6
133.10110	100.0
134.06018	1.3
134.10446	3.0
135.04347	0.6
135.08029	1.0
135.11674	16.8
136.12041	0.5
137.02357	0.9
137.05952	1.5
137.09607	7.0
137.13275	1.4
138.05530	0.4
139.01530	0.7
146.07231	0.6
147.04396	6.1
149.06058	0.5
151.03873	2.6
151.07578	2.2
151.11165	5.6
151.14803	0.5
152.07082	0.7
161.02309	0.6
161.05974	5.5
161.09605	6.0
161.13237	45.6
162.13625	1.0
164.04088	0.4
179.03372	33.0
179.07056	5.7
179.10677	15.7
179.14276	49.2
180.03702	1.2
180.06476	1.0
180.14662	1.4
197.43292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03932	1.7
55.01854	2.0
55.05504	15.1
57.03419	5.0
57.07051	3.5
59.04976	1.9
65.03909	3.8
67.05495	88.4
69.03415	5.6
69.07060	15.6
70.98990	3.8
71.04968	5.0
79.05479	15.8
81.03374	2.5
81.07047	56.3
83.04965	3.2
83.08566	2.2
85.32413	1.1
91.05473	11.2
93.07035	22.9
95.04957	16.8
95.08591	100.0
95.51128	1.1
96.08899	2.0
97.06539	1.7
100.99256	1.2
105.07014	13.4
107.08574	11.4
109.06505	7.4
109.10140	55.6
110.10463	1.5
111.08075	1.5
112.99332	1.2
119.08560	19.0
121.10120	4.7
123.08066	14.2
123.11713	1.4
133.10081	6.0
135.11659	4.3
137.09590	15.6
137.13208	2.4
151.03946	1.8
151.14793	8.8
161.05771	1.2
161.13223	7.1
179.03380	13.7
179.06425	2.2
179.10689	2.4
179.14279	39.8
180.14638	1.3
197.04453	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.86573	0.4
53.03936	1.4
54.17841	0.4
55.01857	1.6
55.05499	5.2
56.96578	0.4
57.03426	7.4
57.07073	1.0
65.03946	0.4
67.05493	25.6
69.03421	1.6
69.07057	6.9
71.04988	2.9
71.07143	1.5
74.60226	0.4
79.05482	21.4
81.07043	71.6
82.07383	1.3
83.04972	6.7
83.08593	3.3
85.06526	6.1
91.05464	23.5
93.07028	32.7
94.07330	0.6
95.04953	3.4
95.08591	66.9
96.08936	1.0
97.06514	14.1
99.08076	6.4
105.07013	29.6
106.07378	0.6
107.08575	15.5
109.06495	4.0
109.10139	4.5
111.08057	5.2
113.09597	0.4
117.07005	2.0
118.38559	0.5
119.04878	0.7
119.08561	46.5
120.08913	1.4
121.10123	16.0
122.10449	0.7
123.08052	7.2
123.11671	0.8
131.08551	0.9
132.09280	0.5
133.10104	28.7
134.10448	1.1
135.11674	28.0
136.12018	0.6
137.09598	2.7
137.13248	2.5
147.04404	0.7
151.11139	0.7
151.14780	1.3
159.11711	0.9
161.05945	0.9
161.13235	83.8
162.13596	2.2
179.03352	2.1
179.14285	100.0
180.14594	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	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02370	0.6
53.03930	1.9
54.73181	0.5
55.01866	5.0
55.05502	3.5
57.03416	2.0
57.07061	1.5
57.16158	0.6
59.04995	1.1
59.64223	0.4
62.06089	0.7
65.03935	1.9
67.05490	10.8
68.99782	2.1
69.03416	3.1
69.07051	2.0
71.04978	1.0
71.81042	0.8
73.02900	0.9
73.06509	0.6
77.03922	1.6
79.05480	7.6
81.03393	1.2
81.07043	15.9
83.04962	1.7
85.02899	2.9
85.06519	0.8
88.02193	0.7
89.03885	1.6
91.05465	21.8
93.07029	9.2
94.06581	0.6
95.04957	10.9
95.08591	6.9
97.02867	1.7
97.06508	1.1
98.98472	0.9
99.04432	0.6
102.25893	0.5
103.05447	3.6
105.03375	9.2
105.04467	1.0
105.07014	30.2
106.06512	1.5
106.07333	1.0
107.01276	0.8
107.04951	8.8
107.08569	4.4
108.04463	2.2
109.02861	1.4
109.06503	6.4
109.10142	32.9
110.10473	0.6
111.04469	0.7
115.05430	4.3
117.03370	0.6
117.06997	4.4
118.07746	0.9
118.64487	0.6
119.04141	0.5
119.04920	10.6
119.08562	27.4
120.08089	39.3
121.06483	5.9
121.10122	2.9
123.04407	26.1
123.08060	3.3
123.11687	7.2
124.04797	0.9
127.03917	1.2
127.07531	1.8
131.00932	0.5
131.04858	0.8
131.08546	2.5
132.08147	0.7
133.02834	23.9
133.06494	7.3
133.10107	100.0
134.05994	2.2
134.10425	3.2
135.04413	3.1
135.08017	1.0
135.11652	1.8
136.05133	1.1
137.02280	0.7
137.05968	7.5
137.09581	9.5
139.01474	0.7
141.05432	1.2
143.08546	1.4
146.03586	1.1
146.07265	0.8
147.03314	0.8
147.04402	12.7
149.05954	0.9
151.03888	29.6
151.04933	1.1
151.07544	2.9
151.11159	26.9
152.04248	0.8
152.07021	2.2
161.02312	7.5
161.05957	19.8
161.09589	9.6
161.13235	3.6
162.05336	0.6
163.07465	1.2
164.04727	1.5
165.01791	0.9
169.12201	1.5
179.03374	83.6
179.07027	28.8
179.10619	26.3
179.14232	7.7
180.03783	4.7
180.06590	2.4
180.10190	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	179.1063
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02406	0.4
53.03945	1.4
55.01868	4.2
55.05503	4.2
56.96555	1.0
57.03429	3.2
57.07072	0.7
57.71093	0.4
59.04992	1.1
65.03934	1.2
67.05495	14.0
68.99790	0.6
69.03426	1.6
69.07067	4.4
69.75208	0.4
71.04994	1.8
71.80777	0.4
77.03922	0.7
79.05484	11.4
80.14200	0.4
81.07046	31.8
82.07354	0.6
83.04967	2.8
83.08620	1.3
85.02886	0.9
85.06514	2.2
88.02178	0.4
91.05470	25.7
92.05821	0.5
93.07035	18.2
94.07320	0.5
95.04959	8.0
95.08598	24.3
96.08957	0.6
97.02885	0.6
97.06520	8.0
98.98419	0.5
99.08094	3.1
103.05462	1.1
105.02737	0.4
105.03404	1.5
105.07019	42.2
106.06628	0.6
106.07358	1.5
107.04914	0.6
107.08580	10.3
107.96017	0.5
108.04475	1.2
108.08888	0.6
109.06508	4.4
109.09394	0.9
109.10143	8.9
109.55427	0.4
111.08078	1.9
115.05438	1.5
117.07018	2.5
118.07792	1.4
119.04935	5.5
119.08569	46.7
120.05341	0.6
120.08926	1.3
121.06494	3.4
121.10123	6.2
123.04424	4.1
123.08052	5.4
123.10863	0.5
123.11670	2.6
131.08549	2.8
133.02840	1.9
133.06500	2.6
133.10112	100.0
134.05995	1.1
134.10454	3.6
135.04344	0.5
135.08115	0.8
135.11674	12.1
136.05211	0.6
136.08867	0.5
137.02368	0.5
137.05969	1.7
137.09590	7.6
137.13234	0.7
139.01515	0.6
143.08493	0.8
146.07332	0.4
147.04388	8.7
151.03871	1.4
151.07607	2.1
151.11160	6.4
151.14745	0.5
152.07018	0.7
161.05963	5.0
161.09608	7.6
161.13239	32.2
162.13579	1.0
172.63280	0.4
179.02197	0.4
179.03369	14.7
179.07129	5.6
179.10660	15.7
179.14281	40.2
180.03798	0.7
180.06511	0.9
180.11079	0.5
180.14674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1064
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
51.16416	0.4
53.03924	1.6
55.01859	4.5
55.05496	3.0
56.96538	1.2
57.03416	1.9
57.07052	1.1
59.04977	1.3
65.03923	0.8
67.05495	6.8
67.47021	0.4
68.24734	0.4
68.99767	2.1
69.03423	4.4
69.07041	1.8
71.01349	2.7
71.04973	1.8
71.79015	0.8
71.79392	0.6
73.02900	0.5
76.02174	0.4
77.03879	0.4
77.30109	0.4
79.05477	9.6
80.05019	0.6
80.59559	0.5
81.03403	1.6
81.07042	15.0
83.04963	6.2
83.08590	1.0
85.02901	2.3
85.06517	1.9
87.04388	0.4
89.03886	1.3
91.05463	13.7
92.05827	0.6
93.07032	9.9
95.04955	12.4
95.08584	5.9
96.04483	0.6
97.02863	1.3
97.06525	1.1
98.98465	0.9
99.04421	0.5
99.64241	0.5
103.05466	0.5
105.03379	7.3
105.07008	19.2
106.06554	1.0
107.04928	7.1
107.08568	6.7
108.04485	1.6
108.08035	0.4
109.02835	1.3
109.06501	4.8
109.10131	7.4
111.04420	1.5
111.08060	1.8
112.07571	0.4
115.05443	1.0
117.03356	0.6
117.06987	1.5
119.04926	10.9
119.08559	13.3
120.08092	1.0
121.06495	3.4
121.10106	3.3
123.04410	26.3
123.08052	5.2
123.11694	1.8
124.04717	0.8
127.03901	1.0
128.06210	3.4
131.08530	1.4
133.02837	5.6
133.06471	9.6
133.07452	0.4
133.10103	19.4
134.05972	1.7
135.04381	3.0
135.05405	0.7
135.08015	2.5
135.11681	2.7
136.05183	0.8
136.07524	0.6
136.08640	0.7
137.02333	3.5
137.05963	10.0
137.07016	0.8
137.09590	7.5
139.01527	0.8
142.45898	0.4
143.08549	7.9
146.03572	0.9
146.07272	1.0
147.04388	16.1
148.04768	0.5
149.05933	0.6
151.03876	9.9
151.05063	0.7
151.07532	4.1
151.11157	8.8
152.04195	0.5
152.07028	1.5
155.03365	0.8
157.76682	0.4
161.02348	2.8
161.05956	8.3
161.09598	10.7
161.13237	3.6
162.05469	0.6
162.09062	0.7
164.04607	0.5
165.05507	0.4
179.03369	100.0
179.06868	12.6
179.10616	17.4
179.14235	6.7
180.03773	3.6
180.06531	1.7
180.10204	1.3
186.44006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
53.03938	3.1
55.05508	0.4
57.03426	17.1
57.97476	0.4
65.55504	0.4
67.26070	0.3
76.89594	0.4
77.03922	0.9
79.05477	18.0
81.03429	0.4
81.07059	0.6
91.05459	1.4
93.07019	0.9
95.04954	7.3
95.08634	0.4
98.21475	0.8
104.46523	0.4
105.03374	100.0
105.06989	2.5
106.03703	1.5
107.08559	1.0
109.06467	0.6
119.04942	0.8
119.08553	1.3
121.10096	0.6
121.44228	0.4
123.04407	20.2
123.08054	0.7
133.02919	0.4
133.06474	1.3
133.10107	2.0
135.11676	0.9
137.06001	0.4
147.04340	0.9
147.68365	0.4
151.03897	0.4
151.11163	0.6
161.05981	1.3
161.09639	0.6
179.03497	2.8
179.07004	25.2
179.10524	2.5
179.14272	1.0
180.07306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
51.11190	0.4
52.93869	0.4
53.03939	0.4
55.01847	1.8
55.05488	1.5
57.28676	0.5
61.62075	0.5
67.05495	1.1
68.99776	3.7
69.03423	0.7
79.05478	3.5
81.07047	2.6
83.04975	0.5
91.05467	9.0
93.07019	1.7
95.04945	2.7
95.08583	1.2
97.10162	0.6
99.89644	0.5
103.05444	1.9
105.03390	2.7
105.06346	0.8
105.07013	11.8
107.04921	1.6
107.08547	0.6
109.06507	4.2
109.10154	2.4
111.08044	1.5
115.05441	13.4
117.07002	0.8
117.58936	0.4
118.04138	0.6
119.04908	2.0
119.08542	3.3
120.08083	8.5
121.06437	0.9
123.04410	19.7
123.08031	0.9
124.54225	0.5
133.02850	3.4
133.06470	11.5
133.10103	10.7
135.04370	0.7
137.02318	2.2
137.05971	4.5
137.09601	0.9
143.04922	2.1
146.03552	1.3
147.04349	2.0
151.03850	3.3
151.07553	5.0
151.11212	2.2
161.05957	75.1
161.09645	1.3
162.06302	1.7
164.04683	6.3
168.95345	0.4
179.03474	12.5
179.07010	100.0
180.07381	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	179.0701
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02372	0.8
53.03941	3.5
55.01865	2.1
55.05509	0.6
57.03428	15.2
65.03925	0.5
67.05484	1.6
68.99771	0.4
69.03422	1.1
69.07050	0.8
71.04988	0.6
71.79069	0.4
77.03922	1.1
79.05482	18.7
81.03390	0.9
81.07049	2.9
83.04977	0.5
85.02907	0.9
89.03935	0.4
91.05467	7.4
93.07024	3.2
95.04956	8.7
95.08608	2.9
97.06509	0.4
98.98449	0.6
103.05447	0.7
105.03378	100.0
105.07013	7.8
106.03709	1.8
107.04918	1.1
107.08566	2.0
108.04466	0.9
109.06488	1.5
109.10162	1.0
115.05412	1.1
117.07027	0.7
119.04923	7.3
119.08566	4.1
121.06444	0.7
121.10114	1.5
123.04411	24.2
123.08057	1.7
131.08609	0.7
133.02855	2.4
133.06499	4.1
133.10114	9.4
134.05986	0.5
135.04398	0.9
135.08047	0.8
135.11679	1.7
137.05954	2.4
137.09558	0.6
139.01530	0.5
147.03358	0.7
147.04396	10.8
151.03886	3.2
151.07518	2.5
151.11214	1.1
152.07060	0.4
161.02344	0.6
161.05960	8.5
161.09586	2.8
161.13258	1.5
164.04620	0.5
179.01765	0.8
179.03394	16.3
179.07022	36.0
179.10533	5.6
179.14178	2.1
180.03821	0.6
180.07475	0.8
193.08716	0.4
196.74269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02363	0.7
53.03942	1.8
55.01863	2.3
55.05506	0.5
57.03432	2.9
57.07063	0.3
65.03927	0.9
67.01854	0.3
67.05492	4.5
68.99787	1.0
69.03423	0.6
69.07049	0.3
69.79556	2.5
71.04999	0.5
76.02223	0.8
77.03922	2.7
79.05489	6.1
81.03402	0.8
81.06644	0.4
81.07050	2.7
83.04978	0.6
85.02895	0.8
89.03908	2.6
91.05464	5.2
93.07047	2.2
95.04954	9.8
95.08602	1.8
96.15181	0.3
97.02892	0.4
97.06512	0.4
98.98461	0.4
103.05438	0.7
105.03379	27.1
105.07016	5.4
107.04240	0.5
107.04945	9.5
107.05665	0.5
107.08585	1.0
108.04462	0.9
109.02868	1.0
109.06517	1.6
109.10130	2.1
111.04424	0.4
115.05459	0.9
116.01676	0.4
117.00968	0.3
117.03368	1.2
117.06982	0.6
119.04905	2.9
119.08576	4.0
120.08125	1.5
121.06504	1.7
121.10133	1.2
123.04416	29.5
123.08048	1.4
123.11746	0.5
124.04723	0.8
128.06229	0.4
133.02835	42.5
133.06442	2.5
133.10106	6.4
134.03206	1.2
134.06007	0.8
135.04395	5.2
135.08002	0.8
135.11714	0.6
137.05992	1.5
137.09557	1.6
143.08548	0.4
147.03328	0.4
147.04404	3.5
151.03897	13.3
151.07533	1.0
151.11142	2.0
152.04337	0.4
152.07039	0.6
161.02328	10.1
161.05968	3.4
161.09592	2.2
161.13223	1.5
179.03374	100.0
179.10539	4.3
179.14198	1.8
180.03755	2.9
180.06378	0.3
186.14296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.17479	0.4
50.46851	0.3
53.03938	1.4
55.05504	15.6
56.05864	0.4
56.39470	0.4
57.07066	2.4
58.00809	0.3
59.04981	1.8
65.03934	1.1
67.05496	8.5
69.03437	0.4
69.07059	23.8
69.71563	2.5
71.08609	0.8
72.56716	0.4
77.03957	0.5
79.05481	20.0
81.07045	27.9
82.07386	0.7
83.08607	15.3
88.02212	0.5
89.03910	1.5
91.05463	10.7
93.07030	50.4
94.06655	0.3
94.07370	0.9
95.04936	2.5
95.08591	56.5
96.08928	1.5
97.10150	5.9
98.94773	0.4
98.98460	2.4
101.93691	0.4
103.05470	0.9
105.07010	7.9
106.04169	0.8
107.08577	80.6
108.08905	1.0
109.06496	2.0
109.10137	17.0
110.10490	0.4
117.03345	3.0
117.06954	0.6
119.08546	2.1
121.06509	1.1
121.10126	100.0
122.10420	2.0
123.08055	1.0
123.11680	1.0
129.06952	0.5
131.08557	1.8
133.10152	1.8
134.22420	0.4
135.04369	0.5
135.08049	0.6
135.11679	25.3
136.11990	0.4
145.02841	4.3
147.11768	0.4
149.02330	2.6
149.05942	1.8
149.09636	0.8
149.13237	8.6
157.88707	0.4
159.08029	1.5
159.11693	1.6
177.05460	4.1
177.09041	1.9
177.12814	2.7
177.16357	91.5
178.16771	2.2
195.47501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01867	0.6
55.05497	0.4
56.05009	0.3
56.96557	5.7
57.03421	0.4
59.04987	0.7
59.93093	0.2
60.04505	0.2
65.03922	0.6
67.05489	0.7
68.05018	0.2
69.03413	0.8
69.07037	0.3
70.06586	0.3
70.28304	0.5
70.28725	0.4
71.04937	0.2
71.95238	0.2
72.08142	0.3
73.02905	0.3
74.97607	0.3
76.51590	0.2
79.05501	0.8
80.04995	0.4
81.03404	0.3
81.07043	0.8
83.00745	0.2
83.04971	1.2
84.08140	0.3
84.95999	0.4
85.02892	0.9
85.06528	0.2
88.02217	1.7
89.03860	0.3
90.04235	0.3
91.05467	28.1
92.05813	0.8
93.07052	0.3
94.06556	0.5
95.04949	1.1
95.08597	0.3
97.02881	0.6
97.06570	0.2
97.92041	0.2
97.99178	0.5
98.09660	0.2
98.20573	0.2
98.97576	1.4
98.98466	0.4
99.97910	0.3
102.01541	0.8
105.03373	0.6
105.07003	1.0
106.06560	0.3
107.04949	1.2
107.08503	0.2
107.47240	0.2
108.08138	0.2
108.53061	0.2
109.02831	0.4
109.06509	0.9
110.01342	0.2
111.00231	0.2
111.02063	1.4
111.04444	0.9
113.02364	0.3
113.52308	0.4
115.05463	0.3
116.00216	0.6
116.01266	0.5
116.10719	8.7
116.43244	0.2
116.71759	0.2
116.98605	1.3
117.03366	0.3
117.05798	0.2
117.98935	0.6
118.03654	0.9
118.06538	1.4
118.17642	0.2
118.96778	1.1
119.01887	0.5
119.04929	24.1
120.02586	1.5
120.04513	0.2
120.05296	0.6
121.06485	0.2
122.06007	0.4
122.06813	0.3
122.10454	0.2
122.50990	0.4
122.52821	2.7
123.04439	1.3
123.05231	0.2
125.01772	0.5
127.52054	0.3
127.99683	0.2
128.02309	0.3
128.98601	0.2
131.53366	1.7
132.04411	0.4
132.08061	1.2
133.02798	1.1
133.06479	0.5
133.10103	0.5
133.99059	0.5
134.02303	0.6
134.99687	1.4
135.04146	0.2
135.99988	0.6
136.07558	100.0
137.05959	0.7
137.07919	1.8
143.00154	0.2
143.04128	0.2
144.98083	0.3
145.01633	0.2
145.02794	0.2
146.03163	1.4
146.99545	0.2
147.04378	5.7
149.01215	0.3
149.05974	0.2
150.02885	0.3
150.05458	0.5
150.06474	0.3
150.09125	0.2
151.03902	0.5
151.07530	0.4
151.11174	0.3
153.00706	0.4
154.00992	0.3
154.51822	0.2
154.53592	0.3
154.94199	0.6
154.96468	0.7
160.03955	0.2
160.07481	0.4
160.13434	0.2
161.01176	0.4
161.02386	0.4
161.05934	0.8
161.07970	0.2
161.13184	0.3
162.99141	0.6
163.04150	0.2
164.04390	0.2
167.04666	0.3
172.95207	3.5
173.01189	0.2
175.92320	0.1
177.00677	0.5
177.98027	0.9
178.05016	1.7
178.06174	0.2
178.07195	0.6
178.08626	3.5
178.09981	0.2
178.12097	1.1
178.15915	0.2
179.03357	4.7
179.07022	2.2
179.10605	0.5
190.96283	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	2.4
55.01853	2.4
55.05498	15.0
57.07066	3.0
62.05690	0.7
65.03924	1.1
67.05495	11.2
69.03410	6.7
69.07057	23.8
70.13975	1.4
70.14341	3.8
78.04700	1.3
79.05482	22.8
81.03410	2.1
81.07043	31.1
83.04967	2.1
83.08604	16.3
86.15922	1.0
88.02179	0.9
89.03909	7.4
91.05460	20.2
93.07027	86.0
94.07359	1.4
95.04961	5.3
95.08590	52.3
97.06509	1.3
97.10141	3.8
98.21502	0.8
98.98451	8.3
103.05462	2.7
105.04482	0.8
105.07014	11.7
106.04165	2.2
107.04935	2.2
107.08575	92.6
108.08917	2.1
109.06522	3.7
109.10134	15.6
115.05433	0.8
116.13834	0.8
117.03351	11.3
117.07000	5.2
119.04957	3.4
119.05983	0.6
119.08570	5.3
121.06476	4.9
121.10122	100.0
122.10431	2.0
123.08047	1.2
131.04892	2.0
131.08540	8.1
133.10107	10.2
134.03632	2.0
135.04388	1.6
135.08066	4.2
135.11674	35.9
136.12010	1.5
144.09319	1.5
145.02815	16.5
146.03136	1.0
149.02290	3.8
149.05965	16.4
149.09615	2.1
149.13245	13.2
159.04404	1.0
159.07986	2.1
159.11665	11.3
163.03880	1.1
177.05424	17.1
177.06770	1.7
177.09084	7.0
177.12749	23.2
177.16351	83.2
178.16714	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	177.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.6
55.05256	0.9
55.05505	13.3
57.07052	3.1
61.25480	1.0
65.03910	1.1
66.72884	0.9
67.05489	9.0
69.06700	1.8
69.07056	25.2
69.70721	8.7
69.71064	1.3
79.05486	18.3
81.07047	22.3
83.08605	15.7
89.03870	1.1
89.31628	1.0
91.05457	9.0
93.07034	44.4
95.04926	1.1
95.08594	50.0
97.10146	3.6
98.98456	2.5
104.69464	1.0
105.07028	6.6
107.08581	75.8
109.06513	2.0
109.10136	17.2
117.03366	2.2
119.08584	2.0
121.10126	100.0
122.10462	1.8
133.10129	1.9
135.11678	20.9
145.02841	2.7
149.05975	1.3
149.13264	8.1
155.12439	1.0
177.05420	3.0
177.16359	88.3
178.16734	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	177.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06290	1.0
53.03940	1.8
55.05252	1.0
55.05503	16.6
57.07050	2.7
67.05495	7.6
69.07055	25.6
69.68334	7.9
71.08597	1.1
76.33893	1.0
79.05476	17.0
80.43103	1.2
81.03387	1.3
81.07042	25.2
83.08608	16.8
89.03886	3.6
91.05460	8.8
93.06438	2.1
93.07030	43.8
95.04958	1.7
95.08592	49.2
96.08910	1.4
97.10136	4.6
97.51233	1.1
98.20709	2.2
98.98448	3.9
105.07014	9.0
106.04152	1.5
107.08578	73.5
109.10143	20.5
111.26093	1.0
112.60715	1.0
117.03374	5.2
119.08559	2.8
121.06475	1.5
121.10123	100.0
122.10408	2.5
123.08038	1.9
131.08533	1.9
133.10086	1.5
135.11668	22.9
136.01567	1.1
145.02858	7.4
149.02286	2.2
149.05939	3.1
149.09673	1.3
149.13246	7.0
149.64914	1.1
159.07945	2.1
159.11617	1.5
171.50955	1.3
177.05411	7.2
177.09100	3.3
177.16359	91.9
178.16684	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02377	0.4
53.03941	1.6
55.01862	1.0
55.05509	2.8
57.03419	0.4
57.07062	1.0
65.03927	0.7
67.05502	3.4
69.03426	8.0
69.07056	5.0
71.04978	1.1
71.08620	0.4
71.81746	0.7
79.05483	8.5
81.03413	0.8
81.07047	17.6
83.00844	0.6
83.01336	11.4
83.04949	0.7
83.08614	1.0
85.02885	0.6
85.06528	0.9
88.02207	1.1
89.03910	1.9
91.05468	14.1
92.05813	0.5
93.07034	28.1
94.07344	0.8
95.04955	3.1
95.08604	6.0
97.06506	1.4
98.98463	3.0
103.05466	1.6
103.85041	0.4
105.04485	0.5
105.07017	15.6
105.07717	0.8
106.07298	0.6
107.04954	1.4
107.08587	18.5
109.02917	0.5
109.06499	11.2
109.10129	1.8
115.05457	1.4
116.06255	1.9
117.03355	2.4
117.07000	4.3
118.76575	0.4
119.08569	5.0
120.08879	0.4
121.02899	0.6
121.06492	47.6
121.10128	15.4
122.06829	1.4
122.10469	0.5
123.08076	1.7
129.06973	3.1
130.07776	1.1
131.04869	0.5
131.08557	14.9
132.08897	0.4
133.06471	1.1
133.10110	6.3
134.07268	0.6
134.10483	0.5
135.04433	0.8
135.08043	8.3
135.11707	5.3
137.05997	0.5
141.07001	0.7
144.05682	1.0
144.09325	3.7
145.02823	3.6
147.04402	0.6
147.08087	0.5
147.11607	0.4
148.08810	0.6
149.02324	2.8
149.05981	3.3
149.09604	14.3
149.10803	0.7
149.13248	7.1
157.10136	1.2
159.08070	3.4
159.11674	26.5
160.11998	1.3
162.06741	2.5
162.10306	0.8
177.05511	11.0
177.09113	46.4
177.12724	100.0
177.16096	4.7
178.06056	0.5
178.09590	1.9
178.13116	4.5
186.05469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14627	0.9
53.03923	1.2
55.01859	1.3
55.05495	3.4
57.03427	1.1
57.07066	100.0
58.07412	1.7
65.00629	50.9
67.05485	2.3
68.99789	1.4
69.03421	1.4
69.07071	3.7
71.08621	95.4
72.08945	2.1
79.05469	5.6
81.03375	0.9
81.07048	5.5
83.04948	0.8
83.08574	1.5
84.19923	0.8
88.02204	4.0
89.03902	6.7
91.05470	7.5
93.07020	10.7
95.04958	3.1
95.08565	3.0
98.21447	1.9
98.98441	12.6
103.05446	4.6
105.07022	5.1
106.04128	1.9
107.04942	1.9
107.08584	9.3
109.06509	1.2
117.03359	12.7
117.07021	3.7
119.08603	3.8
121.02820	1.2
121.06493	6.0
121.10109	7.6
129.07053	1.1
131.04907	3.4
131.08556	6.3
133.10103	1.7
134.03612	2.6
135.04402	2.5
135.08054	3.0
135.11693	2.8
144.09236	0.9
145.02814	19.4
149.02354	6.7
149.04852	1.4
149.05940	8.9
149.13245	1.5
152.79803	0.8
159.04453	1.2
159.07997	1.7
159.11664	5.0
162.03099	1.2
163.03917	1.2
177.05440	23.2
177.09096	3.5
177.13028	58.7
177.16283	4.6
178.08577	1.6
178.13397	1.7
186.05479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03938	1.1
54.16394	0.4
55.01851	1.2
55.05488	1.6
57.07061	0.8
62.17437	0.4
67.05507	3.6
69.03423	4.1
69.07061	4.3
69.34096	0.4
69.79507	1.6
69.79935	1.6
71.04972	0.8
74.50784	0.4
79.05479	4.3
81.07047	18.5
83.01331	0.8
83.04966	0.9
83.08616	0.6
85.06532	1.5
88.02213	0.8
89.03912	0.8
91.05463	6.7
93.07034	21.4
95.04950	1.7
95.08073	0.6
95.08603	4.4
97.06507	1.5
98.21078	1.8
98.98442	1.6
103.05434	1.0
105.07012	12.4
106.07350	0.6
107.04917	0.8
107.08578	11.9
109.06503	9.8
109.10142	1.2
110.17809	0.4
117.03378	1.1
117.06995	4.3
119.08575	5.2
121.06490	51.4
121.10123	8.0
122.06738	0.6
123.08044	0.5
129.06981	1.6
130.07784	0.9
131.08553	9.6
133.10109	5.7
135.07999	3.9
135.11671	5.1
144.09325	4.7
145.02809	1.6
147.11661	0.8
149.02322	0.9
149.05928	1.3
149.09605	1.2
149.13274	5.1
157.10110	1.5
159.11671	31.2
160.12061	0.8
162.10318	0.6
173.31964	0.4
175.11134	0.5
177.05437	3.6
177.12726	100.0
178.13115	3.5
180.16478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03943	6.3
55.01847	3.1
55.05238	1.5
55.05502	27.0
57.03423	8.3
57.07051	4.0
65.03909	3.1
65.42891	1.0
67.05495	22.6
69.03407	6.9
69.07057	43.4
70.86643	3.4
71.04987	12.8
77.68561	1.0
78.04736	1.2
79.05480	61.2
81.03411	1.2
81.07044	55.0
83.04954	2.8
83.08604	9.3
85.30041	1.0
88.02229	0.9
89.03883	4.2
91.05463	46.8
92.05780	1.8
93.07029	100.0
94.07362	2.7
95.04953	14.2
95.08003	1.3
95.08598	21.9
95.59370	1.0
97.06503	4.4
98.98463	5.6
103.05410	2.2
105.07010	30.9
106.04146	1.2
107.04940	12.9
107.08578	60.2
109.06505	17.6
109.10094	2.0
115.05411	4.4
116.06242	1.3
117.03346	6.5
117.07001	29.4
118.07295	1.4
119.08569	19.9
121.06485	20.8
121.10126	20.8
122.07281	2.8
123.08036	3.4
129.06978	6.8
130.07755	6.8
131.04790	1.0
131.08549	36.3
132.08865	1.7
133.06531	1.8
133.10103	10.4
135.08018	14.2
135.11671	8.8
142.07733	1.4
144.09361	9.0
145.02806	8.0
148.08742	1.8
149.02319	4.1
149.05946	4.2
149.09589	3.0
149.13239	15.3
150.06425	1.0
157.10085	2.0
159.11668	25.5
160.11916	1.4
163.03857	1.2
177.05432	6.5
177.09071	2.5
177.12720	44.7
177.16255	2.1
178.13112	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03927	3.0
54.57061	0.8
55.01855	4.0
55.05505	8.3
56.64275	0.7
57.03417	2.9
57.07053	1.1
65.03921	2.7
67.05494	28.1
67.08308	0.7
68.99780	1.1
69.03409	2.4
69.07056	16.0
70.06568	0.9
71.77621	1.7
77.03895	1.5
78.04725	1.9
79.05481	35.4
81.03387	3.2
81.07045	42.1
82.06551	1.0
83.04968	8.6
83.08610	11.1
88.02204	4.1
89.03906	11.5
91.05466	42.6
92.05807	1.4
93.07031	65.9
94.07381	1.8
95.01311	2.0
95.04960	11.2
95.08591	32.6
97.06513	9.5
97.10162	1.9
98.98452	16.8
99.08078	2.3
103.05460	4.8
105.03358	0.9
105.04462	1.0
105.07019	25.9
106.04151	8.0
107.04945	3.3
107.08578	46.3
108.08947	1.0
109.02913	1.0
109.06495	4.7
109.10133	7.5
111.08051	2.2
113.05963	0.9
115.05437	1.4
117.03367	19.9
117.07002	30.9
119.08562	10.1
121.02843	2.0
121.06474	7.9
121.10123	53.4
123.08003	1.5
129.06987	2.5
131.04872	2.0
131.08553	37.4
131.86696	0.8
132.07996	1.0
133.06554	1.3
133.10114	56.7
134.03615	4.9
134.10439	2.3
135.04417	4.1
135.08073	7.6
135.11674	21.8
136.07544	1.6
136.08734	0.9
137.09618	2.4
141.05457	1.0
144.09346	2.0
145.02827	28.8
146.03198	1.6
149.02313	7.8
149.05966	14.5
149.09595	5.4
149.13242	17.4
150.13538	1.0
157.10072	1.7
159.04366	1.1
159.08081	3.3
159.11673	73.5
160.07651	1.3
160.12036	2.9
161.09615	1.5
162.03099	2.8
163.03909	1.6
177.05435	30.1
177.09190	5.9
177.12727	100.0
177.16338	35.7
178.04915	1.7
178.08559	1.8
178.13016	3.7
186.05467	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.05495	0.4
57.03446	0.4
57.07074	0.7
63.02379	0.9
65.03934	0.5
67.05492	0.5
70.93573	1.5
71.04987	0.5
71.09726	0.4
75.21345	0.3
76.24883	0.4
78.04704	2.1
79.05482	0.8
81.07063	2.5
85.06549	1.3
88.02233	0.8
89.03909	33.6
90.04268	0.8
91.05457	3.6
92.57014	0.4
93.07033	1.3
95.04962	1.5
98.98470	2.2
103.05453	2.6
105.07008	0.8
106.04164	3.7
107.08546	0.5
114.85101	0.4
117.03367	65.4
118.03695	1.8
119.04918	1.0
121.06493	2.2
124.05178	0.4
131.04897	1.4
131.08549	0.7
134.03616	6.8
135.04414	5.1
145.02831	100.0
146.03165	2.8
147.04373	0.7
149.02328	0.7
149.05963	21.4
150.06288	0.8
158.05980	0.8
159.04480	0.9
162.03125	1.0
163.03839	1.7
177.05444	37.9
177.08839	0.9
177.12724	0.8
177.16356	0.6
178.05769	1.5
186.05499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0755
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
53.03939	13.7
55.05509	11.9
56.96553	1.7
57.03415	1.0
67.05485	0.9
70.85824	3.1
70.86201	0.9
71.04980	6.3
75.04468	2.0
78.04685	0.9
79.05489	1.2
81.03407	23.6
85.02898	14.5
85.06537	8.0
89.03904	8.9
90.97250	0.8
91.05461	3.2
93.07042	1.1
94.19038	0.8
95.08587	1.8
98.97601	4.6
98.98449	8.4
99.04445	25.4
103.03932	16.9
103.05415	0.9
104.79214	0.8
105.07021	1.4
107.04960	1.7
107.08576	2.5
109.02863	78.5
110.03201	1.5
113.05989	87.8
114.06312	1.1
116.98608	6.0
117.03377	18.6
117.05477	56.8
118.96793	1.4
119.08568	0.9
121.02827	1.1
121.06497	1.3
121.10085	2.1
127.03890	25.9
131.04909	1.2
131.08549	1.6
132.04376	0.9
134.03612	2.5
134.99654	6.0
135.04381	1.7
141.05443	100.0
142.05803	3.5
145.02821	22.0
146.03215	0.9
149.02304	4.0
149.05971	8.4
153.00600	1.0
159.06473	1.8
159.08064	0.8
159.11652	0.8
160.07556	2.0
160.83551	0.9
162.03203	1.4
163.03853	0.9
177.05423	13.8
177.06732	1.8
177.08925	1.9
177.10231	2.1
177.12666	2.1
177.16376	1.8
178.04861	2.2
178.12163	1.2
186.12863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	12.3
57.97322	0.3
69.72603	2.3
71.95277	2.0
72.07823	0.2
81.49095	0.3
89.03891	0.5
98.97569	100.0
99.97914	0.6
100.02476	0.3
113.00883	1.2
116.98605	91.0
117.03352	1.5
117.98965	1.0
130.49321	0.3
131.01889	7.6
134.03635	0.3
134.99638	57.4
135.99985	0.7
136.02451	0.3
139.49724	0.9
140.00179	2.3
141.96953	0.4
142.00035	0.4
145.02788	1.5
149.02911	1.2
149.05986	0.3
151.00568	1.4
153.00691	8.9
154.03485	4.6
158.01288	1.9
172.04524	0.8
172.94240	0.6
173.02936	0.3
176.02309	0.5
177.00729	3.1
177.05432	0.8
190.95346	0.7
195.01711	1.6
195.81212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	12.3
57.97322	0.3
69.72603	2.3
71.95277	2.0
72.07823	0.2
81.49095	0.3
89.03891	0.5
98.97569	100.0
99.97914	0.6
100.02476	0.3
113.00883	1.2
116.98605	91.0
117.03352	1.5
117.98965	1.0
130.49321	0.3
131.01889	7.6
134.03635	0.3
134.99638	57.4
135.99985	0.7
136.02451	0.3
139.49724	0.9
140.00179	2.3
141.96953	0.4
142.00035	0.4
145.02788	1.5
149.02911	1.2
149.05986	0.3
151.00568	1.4
153.00691	8.9
154.03485	4.6
158.01288	1.9
172.04524	0.8
172.94240	0.6
173.02936	0.3
176.02309	0.5
177.00729	3.1
177.05432	0.8
190.95346	0.7
195.01711	1.6
195.81212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03926	0.3
54.56334	0.3
55.01878	0.4
63.02375	0.9
65.03964	0.3
68.99772	0.5
69.03440	0.4
71.22985	0.7
74.03898	0.3
78.04695	1.7
79.05495	0.6
81.07034	0.4
88.02230	0.5
89.03900	31.9
90.04232	0.9
91.05455	2.6
93.07014	1.4
95.04963	0.8
98.98418	1.6
100.76588	0.3
103.05449	1.5
105.03397	0.5
105.07028	0.3
106.04160	2.2
107.08575	0.6
117.03358	60.7
118.03690	1.4
119.04926	0.4
121.06481	1.4
121.10145	0.7
124.05234	0.5
131.08562	0.9
133.10074	0.5
134.03609	7.2
135.04396	5.2
137.66884	0.3
143.28711	0.3
145.02820	100.0
146.03162	3.6
149.02325	0.9
149.05957	21.1
149.09605	0.8
150.06294	0.8
158.05988	0.6
159.07994	0.4
159.11664	0.7
162.03040	1.1
163.03874	1.1
177.05438	37.2
177.09024	1.4
177.12714	1.4
177.16206	0.3
178.05763	1.4
186.05490	3.2
187.05759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	0.9
55.05503	4.7
57.07058	0.5
62.38451	0.3
65.03911	0.4
67.05501	3.6
69.03429	0.6
69.06687	0.5
69.07059	10.0
69.86372	2.2
69.86782	0.9
70.06561	0.7
79.05483	3.9
81.07047	21.5
82.07366	0.5
83.04984	0.4
83.08607	2.5
85.02901	0.5
91.05468	12.5
93.07034	8.4
95.04955	0.6
95.08598	13.7
97.02887	0.5
98.98450	3.2
102.32402	0.4
103.05455	1.0
105.07018	34.0
106.07349	0.7
107.08575	9.1
109.10158	1.0
115.05479	0.9
116.07008	0.5
117.07006	3.2
118.07713	0.5
119.08566	100.0
120.08858	2.6
121.10123	1.4
127.25040	0.3
128.06229	0.4
129.06976	1.1
131.07668	0.4
131.08559	5.2
132.09340	0.8
133.10115	48.8
134.10426	0.7
145.10097	3.5
146.10872	1.6
147.04395	0.5
147.08014	0.5
147.11668	15.0
147.99973	0.3
148.12047	0.7
157.06453	0.5
157.10133	0.6
159.11644	0.5
160.05234	0.5
160.12497	1.9
173.13245	1.3
175.03879	1.2
175.07513	2.1
175.11337	2.5
175.14804	71.1
176.15193	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	176.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76413	1.2
60.05627	4.5
70.06579	6.7
70.08440	6.6
71.06901	8.3
71.88324	1.1
91.40131	1.2
116.07104	1.5
117.07430	3.4
131.10054	1.6
132.02089	100.0
133.02461	1.8
176.01065	31.4
176.12219	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	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
53.69106	0.6
55.05509	5.0
56.43379	0.6
60.05645	0.7
61.40176	0.5
67.05494	3.4
68.55359	0.7
69.07059	8.6
70.06568	1.4
71.63303	0.9
71.63642	1.0
79.05479	3.7
81.07043	20.1
83.08605	1.3
91.05465	10.9
93.07035	6.9
95.08590	15.3
97.02855	0.8
98.98441	4.2
103.05471	1.1
105.07015	33.2
107.08572	10.2
116.07090	1.1
117.07034	3.1
117.26194	0.7
119.08563	100.0
120.08884	2.5
121.10112	1.5
131.08549	4.1
133.10112	41.3
134.10381	0.8
145.10088	2.5
146.10880	2.0
147.11655	16.2
148.11920	1.0
160.12445	2.2
173.13242	1.4
175.14801	68.8
176.15099	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03930	1.4
55.01841	1.6
55.05272	0.8
55.05502	12.1
57.03418	1.6
59.04979	2.2
60.05645	7.0
60.16761	0.8
61.02900	2.9
65.03913	0.9
67.05488	5.0
69.03039	1.7
69.03419	33.9
69.07057	13.3
70.03738	0.8
70.06581	19.9
70.07401	1.1
71.01336	1.4
71.04979	1.4
71.41898	1.4
72.08127	1.2
72.93768	1.2
73.02905	1.6
77.00076	0.7
79.05459	4.8
81.07042	15.7
82.02926	1.3
83.04972	10.3
83.08585	3.6
84.79507	0.8
85.02383	1.5
85.02892	27.0
87.04461	1.9
88.02169	0.8
91.05466	17.2
93.03405	1.2
93.07021	8.0
94.06540	2.9
95.04952	2.3
95.08591	10.4
97.02882	16.9
98.03658	1.8
98.98452	45.6
103.05444	1.5
104.04935	1.2
105.07014	44.2
107.08578	8.0
109.06472	1.0
109.10161	1.3
111.04417	4.9
112.07631	0.9
112.48132	0.8
115.03921	11.4
115.05415	3.4
116.07071	5.9
116.97253	0.8
116.99454	2.2
117.07045	3.7
119.04913	1.4
119.08563	74.8
120.08120	0.9
120.08905	2.3
121.10115	2.1
121.11804	0.8
127.03896	2.5
129.07024	2.3
130.06509	45.8
130.09741	2.4
131.06895	1.4
131.08542	8.3
132.04436	38.2
132.94785	1.0
132.95773	1.6
133.04808	1.4
133.10109	52.7
134.10501	1.3
137.59860	0.8
139.03889	1.8
142.07797	1.5
145.10143	4.2
146.10883	2.8
147.04417	2.3
147.08038	2.9
147.09167	0.8
147.11662	14.5
148.07489	1.3
148.63339	0.8
149.70071	0.9
157.04929	2.9
157.06505	0.9
157.07593	19.6
157.10101	2.3
157.14146	2.6
158.05994	54.9
158.09180	1.5
159.06288	1.8
160.05205	1.9
160.08833	1.1
160.12486	1.3
173.13257	1.9
174.38220	0.8
175.03877	3.5
175.05963	2.9
175.07471	6.8
175.08664	16.7
175.11201	5.5
175.11781	4.8
175.14803	100.0
176.07050	3.2
176.09070	1.1
176.15195	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	175.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86067	0.4
55.05502	1.4
65.51511	0.4
67.05486	1.1
69.03432	0.5
69.07056	2.4
70.06568	1.2
71.80654	0.7
79.05482	1.2
81.07046	3.6
85.02879	0.6
85.48606	0.4
91.05463	6.0
93.07027	1.4
94.89745	0.4
95.08607	3.4
95.10668	0.4
97.02875	0.9
98.98452	8.4
105.07016	17.9
107.08556	2.7
109.10184	0.4
115.03875	0.5
117.06999	2.6
119.08562	30.8
120.08886	1.0
121.10126	0.6
124.24530	0.4
127.03841	0.4
131.08539	2.4
132.09319	0.8
133.10110	100.0
134.10449	2.5
139.03835	0.5
142.07773	1.0
145.10078	1.0
146.10880	0.8
147.07977	0.8
147.11650	7.5
157.10045	1.0
160.08878	0.4
175.03888	0.5
175.07445	0.9
175.11200	5.0
175.14796	36.8
176.07004	0.9
176.15097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1188
Annotation	L-Arginine
Peak:m/z	Relative Intensity
50.40818	0.3
56.96564	0.8
60.05642	40.1
60.93259	0.3
62.74835	0.3
70.06583	100.0
70.40437	0.8
70.40862	1.3
71.05003	2.2
71.06897	0.6
72.08144	4.6
84.08166	0.5
92.23809	0.4
95.99274	0.4
97.07700	0.5
98.06057	0.9
111.92236	0.4
112.07607	2.6
112.08723	4.3
113.07120	0.6
114.10278	1.0
115.08713	1.0
116.07078	31.1
129.10185	0.6
130.09752	14.5
132.02089	1.3
137.49924	0.4
157.10835	1.4
158.09232	9.8
161.48730	0.4
175.11893	34.2
176.12189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03928	0.2
53.76310	0.1
55.01862	0.2
55.05501	0.8
57.07070	0.2
60.05632	0.3
66.04381	0.2
67.05478	0.4
69.03442	0.2
69.07062	1.1
70.06577	0.4
70.66875	0.2
71.57703	0.4
79.05486	0.6
81.07053	1.3
83.08601	0.4
85.02891	0.3
87.04421	0.2
90.25424	0.1
91.05457	2.7
93.07014	1.2
95.04958	0.3
95.08604	0.9
97.02889	0.4
98.98454	4.7
102.33537	0.2
103.05502	0.2
105.07016	10.2
107.08578	0.6
111.36716	0.2
115.03922	0.4
115.05403	0.3
117.06973	0.9
118.07822	0.3
119.08565	9.1
120.08897	0.2
124.87486	0.2
127.03929	0.4
129.06920	0.2
130.06519	0.2
131.08521	1.1
132.09312	0.5
133.10109	100.0
134.10443	3.1
136.89272	0.2
138.77472	0.2
142.07722	0.3
145.10110	0.4
147.08075	0.3
147.11673	2.3
157.10112	0.5
160.08778	0.2
160.12387	0.2
175.03838	0.2
175.06042	0.3
175.07599	0.7
175.11194	2.4
175.14796	10.4
176.06992	0.3
176.15167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01863	18.8
55.05491	1.2
57.03428	5.9
59.04983	0.8
60.05629	1.5
61.02916	3.6
61.76545	0.4
65.83678	0.5
67.05502	0.6
69.03417	17.3
69.07052	1.7
70.03761	0.5
70.06574	3.5
70.50449	1.4
71.01342	5.2
73.02914	2.7
79.05479	0.6
79.55222	0.4
81.07052	2.1
83.04971	0.9
85.02890	100.0
86.03220	1.6
87.04449	2.9
91.05471	3.6
93.07029	0.8
95.04967	0.6
95.08599	1.4
97.02876	23.4
98.21378	0.7
98.98445	10.9
105.07001	6.1
107.04925	0.6
107.08573	0.9
111.54065	0.4
115.03915	31.9
116.04255	1.0
116.07058	1.4
117.07010	0.7
119.04922	0.5
119.08569	9.6
121.06519	0.9
127.03899	4.9
129.06961	2.2
130.06497	2.5
130.09695	0.5
131.04881	0.4
131.08537	1.2
133.02861	1.3
133.06474	0.5
133.10106	15.0
137.50768	0.5
139.03865	0.6
142.07767	1.5
145.10181	0.5
146.07217	0.5
147.04425	1.0
147.08006	2.2
147.11604	2.7
154.34833	0.5
157.04993	2.9
157.06261	0.6
157.10150	1.7
160.05194	0.9
160.08743	1.3
175.03879	0.6
175.06024	4.0
175.07574	5.5
175.11067	7.9
175.14774	7.7
175.56097	0.4
176.07092	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12354	0.4
52.46709	0.3
52.49018	0.4
53.00300	0.4
55.01867	2.1
55.05504	13.5
57.03427	1.2
60.05656	1.8
61.02921	3.2
67.05492	1.0
68.26924	0.3
69.03422	100.0
69.07060	10.0
70.03022	1.3
70.03770	1.9
70.06582	4.5
70.57722	0.4
71.01348	3.3
71.04974	0.4
73.94684	0.3
74.86691	0.4
79.05495	0.8
79.20492	0.3
81.07058	1.2
83.04971	1.1
83.08611	37.7
84.08977	0.7
85.02892	3.1
87.04465	2.8
87.08109	1.5
91.05465	3.0
93.07034	1.7
95.04954	0.5
95.08614	1.5
97.02886	6.9
97.06523	0.6
98.97817	0.6
98.98457	12.0
105.07017	3.6
107.08593	0.7
111.04451	1.0
111.08071	11.9
111.08807	0.7
115.03904	1.8
115.05380	0.5
116.07117	1.5
117.07040	0.8
119.04948	0.5
119.08570	5.2
121.06493	0.8
129.05428	0.4
129.07001	0.7
129.09097	2.3
130.09740	0.7
131.08592	1.1
133.10106	7.5
133.11014	0.6
139.03897	0.5
139.07539	1.3
142.07829	0.4
147.04414	1.1
147.08051	0.8
147.11714	1.4
151.93819	0.4
157.05035	0.5
157.08635	2.7
157.10002	0.6
160.05205	1.0
175.03955	1.5
175.06047	5.8
175.07587	3.0
175.09692	8.2
175.11218	2.2
175.14804	5.4
176.07161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.0
53.03932	0.9
55.05503	11.4
57.03409	1.5
57.07044	1.1
59.04984	4.8
67.05505	1.6
68.05013	1.1
69.03425	1.3
69.07059	10.8
70.23607	3.4
71.05016	0.8
71.08622	100.0
72.08940	0.9
72.93797	2.6
81.07037	2.5
82.06559	0.9
82.76223	0.8
83.04971	10.1
84.04490	2.2
85.02895	1.6
85.06538	1.1
86.06037	1.3
87.04457	1.1
90.94823	1.6
91.05491	2.6
96.04451	0.8
97.02883	3.8
99.08082	66.7
100.07533	1.0
100.08436	1.4
101.06004	7.7
103.03282	3.7
105.07029	3.7
111.04423	11.7
113.05965	1.7
114.05515	2.0
115.05489	1.5
117.07005	3.0
119.08560	1.4
127.07555	2.3
128.07065	2.8
129.05463	5.7
129.06989	1.4
129.12756	5.1
130.07768	2.1
131.08548	10.8
143.08546	4.3
144.09319	0.8
145.06462	2.5
145.10086	7.0
146.08134	1.3
155.03387	0.8
155.07002	10.3
155.08255	1.3
156.06602	0.8
158.07288	2.3
158.09807	1.0
158.10866	5.5
167.97231	1.2
171.11711	0.9
173.02321	6.1
173.05873	2.0
173.08202	19.2
173.09645	5.3
173.13225	19.0
174.07547	5.2
174.08855	1.1
174.12688	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	174.1123
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.05507	0.7
55.60490	0.2
56.05031	0.4
57.03423	0.8
57.07058	0.3
58.06585	0.4
59.05474	0.2
60.04510	1.2
60.05637	0.3
61.02903	0.2
67.05497	0.5
69.03412	3.4
69.07053	8.1
70.06572	0.9
70.95852	0.9
71.29238	0.5
72.04503	0.7
72.93796	0.6
73.02908	0.3
77.75113	0.2
78.90039	0.2
81.07046	0.5
82.06566	0.9
82.07377	0.3
83.04972	0.9
84.04491	0.5
85.02892	3.2
86.06056	0.7
86.09691	100.0
87.10027	1.1
91.05482	0.4
95.04978	0.3
95.08602	0.4
96.04520	0.3
97.02872	3.4
98.98455	5.2
100.07587	0.5
105.07021	0.6
110.06037	0.3
110.06857	0.3
111.04410	1.2
111.98448	1.0
112.04765	0.3
114.05531	0.7
115.03902	2.4
115.05813	0.2
117.06995	0.3
118.06525	0.4
119.08571	1.0
125.38718	0.2
127.03876	0.4
128.07030	1.3
128.10696	29.0
129.11028	0.5
129.99420	0.3
130.06543	0.4
131.08553	0.3
132.06543	0.3
132.08080	0.5
132.09145	0.4
132.10179	11.5
132.95811	1.3
133.10150	0.7
138.06354	0.3
146.05963	0.6
146.08089	0.6
150.96872	2.4
155.97421	0.7
156.07391	0.3
156.10178	0.4
156.13809	0.6
157.04939	0.8
158.06055	0.3
173.98483	0.9
174.05472	0.7
174.07613	0.8
174.08983	0.8
174.11221	0.5
174.12831	1.8
174.18524	1.1
175.03859	0.5
175.06093	0.4
175.07452	0.5
175.11031	0.3
175.14786	1.2
176.25101	0.2
192.53308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11612	0.2
51.25031	0.1
52.68637	0.2
53.03930	0.5
55.01864	0.4
55.05499	0.4
57.03432	1.1
59.04991	0.2
59.13192	0.2
60.05630	0.4
61.02890	0.2
64.24809	0.2
69.03432	1.3
69.07079	0.3
69.38525	0.2
70.06572	1.0
70.35703	0.9
71.01348	0.3
73.02898	1.0
81.07068	0.4
83.04958	0.3
85.02892	100.0
86.03217	1.6
87.04423	0.2
91.05459	1.2
95.08597	0.3
97.02878	4.3
98.03254	0.2
98.98457	3.7
105.07015	1.3
107.08588	0.2
111.04466	0.4
115.03917	5.6
115.05328	0.2
116.07070	0.5
117.06964	0.2
119.08547	1.7
127.03891	5.4
129.06976	0.4
130.06555	0.2
131.08562	0.4
133.06532	0.2
133.10109	2.0
142.07784	0.3
145.06500	0.2
147.08055	0.3
147.11662	0.8
157.10135	0.2
160.05177	0.4
175.03865	0.2
175.06029	1.4
175.07570	1.7
175.11063	1.6
175.14803	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0599
Annotation	4-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
50.91638	0.3
53.03934	0.5
55.01857	0.8
55.05493	1.0
57.03428	3.5
59.04986	0.3
59.40298	0.3
60.05634	1.0
61.02915	4.6
67.05489	0.4
69.03418	100.0
69.07063	1.3
70.03724	1.5
70.06576	2.3
71.01345	3.3
71.28783	0.9
79.05503	0.6
81.07049	1.3
83.04966	0.8
85.02892	5.9
87.04456	3.3
91.05453	2.3
93.07040	0.8
95.08585	0.7
97.02876	11.5
98.98452	6.8
105.07011	4.4
107.08595	0.7
115.03911	5.1
116.07112	0.9
117.07023	0.4
119.08560	6.4
119.09322	0.5
127.03922	0.4
129.07014	0.9
130.06546	0.9
131.08559	1.1
133.06516	0.5
133.10100	8.7
142.07755	0.5
145.06558	0.4
145.10123	0.9
147.04404	0.9
147.08081	0.7
147.11678	2.3
157.04997	1.8
157.10078	0.5
158.09183	0.4
160.05243	0.5
160.08682	0.4
172.03979	0.4
175.03886	0.9
175.06026	6.5
175.07584	4.6
175.11021	2.8
175.14813	7.0
175.16220	0.6
177.68274	0.3
187.87387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01876	6.9
55.05504	26.4
57.03430	62.1
57.07059	2.0
59.04990	5.4
65.75330	0.7
66.70852	0.7
67.05495	52.1
69.03401	3.0
69.07058	31.8
70.06573	1.2
71.04982	7.4
71.68456	1.8
72.04505	13.3
73.06554	0.9
74.89771	0.8
79.05482	7.7
81.07047	18.7
83.04965	9.1
83.08609	36.6
84.04494	2.4
84.08126	1.0
85.02891	1.4
85.06541	5.5
87.04438	1.7
89.07151	11.1
91.05495	1.9
93.07039	9.1
95.04949	3.7
95.08591	9.3
95.63184	0.7
97.06516	8.2
97.10127	2.3
98.06023	1.0
99.08070	1.6
99.48510	0.8
103.86861	0.8
107.08577	14.4
109.06500	2.2
109.10142	100.0
110.10479	3.1
111.04431	3.2
111.08062	8.3
115.07519	1.1
123.11692	2.0
125.01546	0.9
125.06004	2.1
125.07067	1.8
125.09610	5.3
126.05473	1.0
126.09136	1.4
127.11178	37.2
128.02316	0.8
128.06195	1.8
128.11563	1.1
129.69014	0.8
134.51678	0.9
135.04401	1.1
135.08035	1.1
135.11693	5.1
135.12511	0.8
137.89914	0.8
139.00270	1.4
139.03868	1.7
141.06958	0.9
143.08516	1.7
153.09097	3.2
153.12724	7.1
154.08609	1.0
156.09377	4.4
157.01314	0.9
171.06659	1.1
171.07994	2.0
171.10201	1.5
171.11581	5.3
171.13716	4.1
171.14925	11.1
172.07562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	8-Methyl-6-nonenoic acid
Peak:m/z	Relative Intensity
53.03940	1.2
54.79404	0.5
55.01865	1.1
55.05505	21.8
56.05841	0.6
57.03428	1.8
57.07067	6.6
59.04989	3.1
64.07884	0.5
67.05499	5.6
68.99787	0.9
69.03437	3.1
69.07059	100.0
70.07397	1.5
71.04987	1.7
71.08614	1.5
71.81799	0.8
72.04504	6.3
73.06550	2.9
77.85104	0.5
79.05494	4.0
81.07045	13.6
83.04972	3.1
83.08611	24.7
84.04493	1.4
85.02878	0.8
85.06536	0.7
89.07142	6.3
91.05476	2.0
93.07035	12.1
95.08595	15.8
97.06520	12.7
97.07101	1.0
97.10175	2.3
99.08085	1.3
100.22268	0.6
101.06004	0.9
107.08576	12.8
109.10148	9.2
111.04445	1.1
111.08074	5.7
111.11709	15.6
115.07559	0.8
123.11687	0.7
125.06004	0.7
125.09626	0.9
125.13251	3.6
128.06213	1.0
129.12773	0.9
134.87508	0.5
135.11678	14.2
135.12643	1.0
139.03851	1.2
143.08626	1.7
153.01831	1.1
153.12723	16.8
156.09299	0.9
171.06656	0.6
171.07991	1.1
171.10202	0.7
171.11620	1.3
171.13739	1.2
171.14954	5.4
172.11261	0.7
177.34810	0.5
190.02480	0.5
192.53531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.9562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.6
55.93503	0.7
56.96557	0.8
57.23214	0.3
60.14809	0.3
63.29961	0.3
69.72575	1.7
69.73001	0.9
70.95868	0.5
72.93787	4.9
73.02924	0.3
76.02229	0.5
83.04967	1.3
84.09306	0.3
88.04042	0.3
90.90373	86.3
90.94827	2.8
91.90420	0.9
98.20663	0.3
99.02161	0.3
101.05998	0.7
103.03252	1.1
103.47531	0.4
108.91393	5.7
108.95854	1.1
111.04433	1.7
111.98486	0.5
112.48019	0.7
113.96410	1.6
116.53853	0.4
126.92465	1.7
127.07497	0.3
129.03151	0.4
129.05470	0.7
131.08543	0.6
131.92979	27.9
131.97443	1.5
132.95819	0.8
140.49863	0.4
148.47247	0.5
149.94029	100.0
150.94200	1.1
150.96889	1.6
155.07010	1.1
155.97414	0.7
167.95096	11.8
167.97090	1.7
172.95631	17.6
173.08427	4.2
173.09859	0.7
173.13184	1.1
173.95961	0.6
173.98470	0.6
190.96693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1014
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03915	1.5
54.80127	0.7
55.01841	2.6
55.05502	14.9
56.96545	0.7
57.03427	5.7
57.07052	1.4
59.04980	1.0
65.03935	3.6
66.32260	0.6
67.05493	54.1
68.02634	9.6
68.05797	0.5
68.99770	0.6
69.03419	3.3
69.07056	10.4
70.06578	1.1
70.93072	0.6
71.04977	3.8
71.80111	0.6
72.04506	14.2
72.08126	2.3
73.02901	4.3
73.37018	0.6
74.09693	0.6
79.01823	2.7
79.05480	32.8
80.50401	0.7
81.03381	1.2
81.07044	29.5
82.07362	0.9
83.04965	53.4
83.08608	7.8
83.64371	0.5
84.04470	1.4
84.05305	1.0
84.08118	0.7
85.02892	1.3
85.06539	3.5
86.09687	1.8
87.04472	1.4
89.07135	12.2
91.05472	6.4
93.03394	4.1
93.07034	7.6
95.04948	2.6
95.08591	5.2
97.02872	1.7
97.06509	6.1
97.10159	1.9
98.05999	0.7
99.04416	1.3
99.08036	1.0
100.07587	0.8
101.05985	0.7
104.03449	2.4
105.07040	4.4
107.04934	2.4
107.08575	100.0
108.08896	2.8
109.06497	4.7
109.09393	1.3
109.10140	22.3
110.10485	1.0
111.04425	84.6
111.08057	6.1
112.04742	1.4
112.07602	1.0
115.05453	0.8
115.07548	4.8
117.07002	2.0
123.11766	0.7
125.05989	2.6
125.09614	12.4
126.09095	1.0
127.07510	0.7
128.06235	1.4
129.05457	1.2
135.08040	7.6
135.11673	3.4
139.00250	1.1
139.03879	9.0
143.05946	0.8
143.08482	1.4
153.05495	1.1
153.09084	39.9
153.12671	2.9
154.09515	1.1
156.09326	2.6
157.04944	20.9
158.05400	0.8
171.02853	1.0
171.06627	7.5
171.07953	1.1
171.10219	12.3
171.11661	2.1
171.13586	1.5
171.14908	12.4
172.09708	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	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03935	1.0
55.01868	7.8
55.05506	23.8
56.97512	0.8
57.03431	57.5
57.07075	4.7
59.05001	2.1
65.03931	2.3
67.05499	44.9
69.03426	3.5
69.07063	31.2
70.06580	1.3
71.04990	13.3
71.81271	1.6
72.04510	20.2
73.06557	2.1
79.05484	9.6
81.07050	21.6
83.01366	1.4
83.04973	11.5
83.08614	27.8
84.04499	2.5
84.08144	1.1
85.02927	1.7
85.06529	5.5
86.09694	0.9
89.07142	18.4
91.05495	2.6
93.07043	13.8
95.04952	2.7
95.08609	11.5
97.06526	11.2
97.10159	2.3
98.06036	1.2
99.08094	2.7
101.06010	1.4
107.08581	15.2
107.12168	0.9
109.06509	2.6
109.10147	100.0
110.10486	2.6
111.04450	6.3
111.08066	13.3
115.05487	1.4
115.07600	1.4
120.60167	1.1
123.11723	2.1
125.05961	1.8
125.09602	9.1
125.66024	0.9
126.05492	1.5
126.09186	1.5
127.07583	1.4
127.11173	36.6
128.06226	3.0
128.11646	1.2
130.04936	1.3
135.08072	1.6
135.11674	10.6
139.00261	1.3
139.03932	2.5
141.06963	2.1
141.12704	1.8
143.08565	2.8
147.26122	0.9
148.97459	1.2
153.05466	1.4
153.09113	7.0
153.12733	12.1
156.09334	8.4
156.87363	1.0
157.01299	1.4
171.02881	1.8
171.04291	1.7
171.06647	1.4
171.07935	2.2
171.10124	4.0
171.11681	9.3
171.13760	2.9
171.14961	19.4
172.09752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
54.80127	0.7
55.01841	2.6
55.05502	14.9
56.96545	0.7
57.03427	5.7
57.07052	1.4
59.04980	1.0
65.03935	3.6
66.32260	0.6
67.05493	54.1
68.02634	9.6
68.05797	0.5
68.99770	0.6
69.03419	3.3
69.07056	10.4
70.06578	1.1
70.93072	0.6
71.04977	3.8
71.80111	0.6
72.04506	14.2
72.08126	2.3
73.02901	4.3
73.37018	0.6
74.09693	0.6
79.01823	2.7
79.05480	32.8
80.50401	0.7
81.03381	1.2
81.07044	29.5
82.07362	0.9
83.04965	53.4
83.08608	7.8
83.64371	0.5
84.04470	1.4
84.05305	1.0
84.08118	0.7
85.02892	1.3
85.06539	3.5
86.09687	1.8
87.04472	1.4
89.07135	12.2
91.05472	6.4
93.03394	4.1
93.07034	7.6
95.04948	2.6
95.08591	5.2
97.02872	1.7
97.06509	6.1
97.10159	1.9
98.05999	0.7
99.04416	1.3
99.08036	1.0
100.07587	0.8
101.05985	0.7
104.03449	2.4
105.07040	4.4
107.04934	2.4
107.08575	100.0
108.08896	2.8
109.06497	4.7
109.09393	1.3
109.10140	22.3
110.10485	1.0
111.04425	84.6
111.08057	6.1
112.04742	1.4
112.07602	1.0
115.05453	0.8
115.07548	4.8
117.07002	2.0
123.11766	0.7
125.05989	2.6
125.09614	12.4
126.09095	1.0
127.07510	0.7
128.06235	1.4
129.05457	1.2
135.08040	7.6
135.11673	3.4
139.00250	1.1
139.03879	9.0
143.05946	0.8
143.08482	1.4
153.05495	1.1
153.09084	39.9
153.12671	2.9
154.09515	1.1
156.09326	2.6
157.04944	20.9
158.05400	0.8
171.02853	1.0
171.06627	7.5
171.07953	1.1
171.10219	12.3
171.11661	2.1
171.13586	1.5
171.14908	12.4
172.09708	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	171.065
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03936	0.8
55.01846	1.2
55.05503	8.0
57.03425	1.5
57.07076	0.7
65.03951	0.8
67.05486	2.8
68.02637	18.5
68.99782	1.0
69.03414	1.2
69.07065	5.5
71.04983	2.1
71.79186	1.1
72.04504	7.0
72.08139	0.9
79.01839	5.2
79.05466	2.9
81.07034	3.7
83.04969	83.6
83.08590	3.5
84.04492	1.2
84.05283	1.4
84.08143	0.6
85.02889	0.7
85.06547	1.5
86.09690	0.9
87.04448	0.7
89.07142	6.0
91.05504	1.0
93.07041	3.4
95.04973	1.2
95.08592	2.2
97.02881	1.3
97.06541	2.2
97.10133	0.6
99.04429	1.5
101.06021	0.7
107.08578	5.3
109.10162	2.3
111.04429	100.0
111.08060	2.7
112.04675	1.4
115.07558	9.4
123.11697	1.1
125.05992	1.9
125.09626	2.3
127.03874	0.7
128.04675	1.8
128.06229	0.7
129.05482	1.0
135.08076	0.8
135.11655	1.9
139.03886	15.8
141.12752	0.6
143.07045	0.7
143.08609	0.9
153.05437	1.7
153.09149	2.5
153.12723	1.6
156.09346	0.8
157.04950	45.7
158.05229	0.9
167.17274	0.7
171.06537	12.2
171.07938	1.0
171.10210	1.3
171.11668	1.4
171.13718	1.0
171.14937	7.2
172.09621	0.7
172.15254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1014
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03930	1.2
55.01855	5.5
55.05505	14.8
57.03432	6.1
57.07061	2.0
59.03579	0.7
59.04971	1.1
64.23679	0.6
65.03929	18.5
67.05493	64.3
68.02637	0.8
68.05819	1.4
68.99777	5.9
69.03417	5.1
69.07055	10.1
70.06602	0.8
70.94250	1.0
71.04981	4.7
71.08630	0.7
71.78914	1.0
72.04504	21.6
72.08154	1.4
73.02905	8.5
79.05483	44.6
80.05063	0.6
80.05830	1.3
81.03387	3.6
81.07043	42.9
82.06551	0.6
82.07361	1.0
83.01348	0.9
83.04970	21.8
83.08605	12.1
84.04482	2.7
84.08115	2.4
84.29102	0.6
85.02883	2.4
85.06518	1.7
87.04441	2.6
88.95270	0.8
89.07141	20.2
91.05466	7.5
93.03401	4.4
93.07036	11.5
95.04967	3.8
95.08591	6.0
96.02091	0.8
97.02876	2.2
97.06513	8.0
97.10154	3.4
98.02351	0.7
98.06022	1.2
99.04443	2.3
99.08083	1.0
100.07557	0.8
101.02360	1.8
101.05978	0.7
105.07010	3.6
107.04929	5.0
107.08578	100.0
108.08920	2.6
109.02892	1.0
109.06509	5.5
109.10142	25.7
110.10448	0.8
111.04426	92.5
111.08056	8.9
111.11752	0.6
112.04015	0.8
112.04764	1.7
112.07570	2.2
114.84779	0.7
115.03921	0.9
115.05450	2.2
117.06998	3.0
118.56899	0.6
121.02896	0.9
121.03973	3.2
123.11703	1.2
125.05980	3.0
125.07105	0.7
125.09615	25.2
126.05480	1.5
126.09145	2.7
127.03931	1.7
128.04230	1.5
128.06216	2.0
129.05501	0.6
129.06960	0.9
129.18323	0.6
130.08644	1.4
135.04451	0.9
135.08025	13.5
135.11621	5.2
135.34286	0.6
139.00232	1.6
139.03882	73.7
140.04230	2.1
143.04880	1.4
143.08548	1.5
143.10706	1.0
148.97632	0.6
153.01891	1.0
153.05464	2.4
153.09082	71.5
153.12563	3.0
154.04941	1.0
154.09439	2.1
156.03673	4.0
156.09325	2.6
157.01282	1.2
157.04951	0.8
171.02824	2.7
171.04340	1.0
171.06358	9.2
171.07877	1.7
171.10158	45.2
171.11542	2.9
171.13737	1.0
171.14909	18.4
172.09538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1221
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03937	1.4
55.01856	1.0
55.05233	1.0
55.05504	19.4
57.03421	2.2
57.07065	6.4
59.04980	1.4
65.03925	2.0
67.05496	28.8
68.05837	0.5
69.03430	2.8
69.07056	10.2
70.12106	3.3
71.04983	10.0
71.08619	0.6
79.05484	12.4
81.03391	0.6
81.07045	100.0
82.07384	2.0
83.08604	1.7
85.06527	7.8
88.11947	0.5
89.06024	0.7
91.05489	3.1
93.07041	8.5
95.04952	9.7
95.08590	21.2
95.09196	1.2
97.06529	0.9
97.10149	3.8
99.04447	1.9
99.08060	0.6
105.07010	4.1
107.08591	4.7
109.02834	0.7
109.06502	7.7
109.10145	16.7
110.10523	0.7
111.04481	0.9
111.08064	12.5
113.05985	2.1
121.10108	1.0
123.04433	0.8
123.08073	2.5
123.11691	33.4
125.09582	1.3
127.07536	0.7
127.11177	11.0
127.12063	0.7
128.17667	0.6
133.10080	2.6
137.02347	2.0
139.03844	0.8
141.05489	2.6
151.11166	6.8
152.07047	0.6
169.04962	2.6
169.06328	0.8
169.12190	3.9
170.06180	0.5
184.52298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03951	1.1
55.01850	1.0
55.05508	8.4
55.85918	1.0
57.03419	3.9
57.06801	1.2
57.07068	16.5
59.04996	4.4
59.05250	1.0
65.03922	2.0
67.05495	32.8
69.03423	35.0
69.07058	15.6
69.49345	3.2
69.49759	6.7
71.04617	1.3
71.04985	21.1
73.06570	1.1
79.05481	8.8
81.03394	2.1
81.07047	57.3
83.04968	12.7
83.08607	6.0
85.02892	5.7
85.06534	82.0
86.06835	2.2
86.09678	3.2
91.05463	3.3
93.07040	9.7
95.04956	14.0
95.08593	13.8
97.06520	4.9
97.10137	1.8
98.21439	1.7
99.04445	6.6
99.08051	2.8
102.54425	0.9
105.07013	6.2
107.08581	13.3
109.02859	3.1
109.06517	19.7
109.10145	64.5
110.06020	1.4
110.10481	1.0
111.04406	1.9
111.08065	16.2
113.05994	16.4
121.10130	18.5
123.04456	1.2
123.08079	13.6
123.11695	70.9
124.07520	1.0
124.12008	1.4
125.09598	6.0
127.07492	1.4
129.62857	0.9
133.10124	5.6
136.08855	1.1
139.11153	22.0
140.11485	1.0
141.05444	6.1
151.03957	1.3
151.07620	1.2
151.11166	32.5
152.03369	1.5
152.07054	1.1
156.24416	0.9
169.04968	4.5
169.06337	1.3
169.12227	100.0
170.08167	1.1
170.09639	1.3
170.12601	2.6
175.04242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34520	3.0
70.81490	10.4
73.38989	3.0
103.15575	3.4
112.31252	3.9
119.61868	3.4
123.54507	3.0
123.84410	3.3
124.03702	5.8
124.08688	6.7
145.03494	4.2
151.04764	100.0
151.05949	5.9
152.03165	46.1
169.05766	16.1
170.05789	3.4
170.09314	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	169.0857
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03933	6.6
55.01868	7.8
55.05503	10.8
57.03432	4.6
57.07048	3.0
59.04988	2.0
60.57256	0.7
64.47042	0.7
65.03938	5.2
67.01855	12.6
67.05151	1.7
67.05495	27.2
68.99786	4.0
69.03419	32.0
69.07055	9.6
70.06573	1.8
71.01337	1.1
71.04975	10.7
71.08633	0.9
71.78167	1.0
73.02907	1.3
79.05480	15.4
81.03410	9.8
81.07043	56.8
82.06571	1.0
83.04967	22.3
83.08598	2.3
85.02894	24.3
85.06530	8.9
91.05465	5.4
93.03364	1.2
93.05756	1.3
93.07034	11.5
94.07425	0.8
95.01324	1.3
95.04961	13.3
95.08591	38.9
96.08105	1.0
96.08932	1.1
97.02847	0.9
97.06505	4.8
97.10125	1.0
99.04454	8.6
99.08078	4.7
101.02330	1.1
103.05429	0.9
105.07019	15.5
106.06511	1.1
107.08579	14.6
109.02863	58.9
109.06501	47.6
109.10138	21.4
110.03103	1.2
110.06017	2.1
110.06789	1.0
111.00791	3.1
111.04438	8.9
111.08062	24.6
113.02341	1.5
113.05994	5.8
115.05417	1.2
117.01244	0.7
121.10152	1.7
123.04420	26.5
123.08047	36.9
123.11687	21.4
124.03909	1.1
124.04697	1.1
124.07554	3.4
124.08415	0.7
125.05976	2.1
125.09595	3.3
126.03119	6.6
127.03041	1.4
127.03907	21.5
127.07545	4.7
127.11140	1.2
128.07074	1.0
128.95050	1.8
131.03381	5.6
133.02826	1.4
133.06485	4.8
133.10106	6.2
134.05956	2.1
137.02318	6.1
141.05450	19.8
141.07051	1.9
141.09096	2.2
141.10178	1.0
141.12656	1.4
142.08653	1.4
144.17737	0.7
146.96115	2.0
151.03891	49.6
151.07516	37.3
151.11156	20.3
152.03299	5.3
152.07027	3.1
163.97678	1.4
169.04942	100.0
169.07452	5.4
169.08688	28.4
169.09920	3.4
169.12202	12.4
169.17082	0.9
170.05513	1.2
170.08109	3.3
170.09595	2.9
181.98763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
51.47202	0.2
53.03935	1.1
55.01859	1.8
55.05513	0.4
57.03439	0.3
59.23424	0.2
65.03924	0.5
67.01857	14.9
67.05489	3.3
68.95036	0.2
69.03405	0.3
69.07065	0.4
70.15870	1.3
71.04988	0.9
79.05479	0.6
81.03394	0.3
81.07040	1.8
83.01330	35.1
83.04951	0.4
84.01665	0.6
85.06537	0.3
91.05447	0.4
93.07080	0.4
95.04956	5.0
95.08588	0.5
97.06512	0.3
99.04465	0.4
105.04554	0.4
105.07021	0.7
107.08618	0.5
109.02857	0.6
109.06496	0.6
109.10140	2.2
110.05970	0.3
111.00772	0.3
111.04423	0.3
111.08062	0.3
113.05983	0.5
123.04412	17.7
123.08058	0.7
123.11665	0.4
124.04715	0.6
124.07572	0.5
126.03162	0.4
133.10085	0.4
141.05449	11.1
142.05797	0.3
146.96094	0.3
151.03883	8.8
151.07478	0.5
151.08623	0.2
151.11040	0.3
152.03387	1.0
152.07043	0.4
157.33856	0.2
169.04939	100.0
170.05289	2.9
170.08148	0.4
170.09572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
51.32867	0.4
53.03937	0.5
55.01851	1.4
55.05502	2.5
56.96544	0.5
57.03419	0.9
57.07058	1.6
65.03918	1.7
67.01862	2.8
67.05186	0.6
67.05497	8.8
68.99788	2.0
69.03410	1.4
69.07058	4.0
70.06565	0.6
71.04981	3.4
71.10722	1.0
74.85671	0.4
79.05473	3.0
80.05007	0.7
81.03393	2.0
81.06606	0.9
81.07050	12.8
83.04964	1.9
85.02890	1.5
85.06527	2.1
91.05464	1.8
93.07037	4.1
95.01304	0.5
95.04959	6.1
95.08603	6.7
97.06522	1.4
99.04435	1.7
99.08099	0.6
105.07018	4.0
107.08572	5.6
109.02871	3.5
109.06495	5.6
109.10141	10.9
110.03646	0.6
110.06053	0.8
111.00763	1.2
111.04436	3.1
111.08067	6.2
113.05988	0.9
121.10126	0.7
123.04414	26.5
123.08050	5.2
123.11690	9.0
124.04748	0.8
124.07583	1.3
125.05997	1.0
125.09605	1.6
126.03106	2.5
127.03016	0.7
127.03909	8.8
127.11189	1.0
128.95111	0.7
130.80678	0.5
133.02817	0.9
133.10118	5.1
134.05992	0.8
141.05440	6.3
141.06549	0.6
141.06979	0.6
146.96101	0.9
151.03888	41.8
151.07509	1.8
151.11150	5.1
152.03391	1.4
152.07036	1.4
169.04944	100.0
169.08607	2.4
169.09897	1.9
169.12204	2.2
170.05367	2.3
170.08148	1.3
170.09663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03935	0.8
54.81093	0.2
55.01860	2.0
55.92508	0.2
56.32658	0.2
58.25805	0.2
60.96849	0.3
65.03932	0.6
67.01855	14.0
67.05492	2.3
69.67150	0.2
69.68228	0.6
69.68655	1.2
77.22722	0.2
79.05457	0.4
80.05864	0.2
81.03394	0.4
81.07039	0.6
83.01329	35.7
83.45860	0.2
84.01649	0.5
88.57464	0.2
93.05726	0.2
95.04954	4.4
95.08588	0.5
99.04444	0.3
99.89857	0.2
105.04536	0.3
109.02864	0.4
109.06487	0.4
109.10118	0.4
111.04417	0.3
113.05994	0.5
122.01627	0.2
123.04411	18.1
123.08041	0.7
124.04748	0.5
125.66371	0.2
139.03865	0.3
141.05440	11.0
151.02655	0.4
151.03882	8.7
152.03314	0.3
152.04384	0.3
152.07018	0.3
154.23157	0.2
169.04936	100.0
170.04120	0.3
170.05305	3.3
170.08221	0.4
170.09598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	1.7
55.05502	0.2
60.14159	0.2
65.03936	0.3
67.01856	13.3
67.05486	1.9
69.62904	0.2
71.06690	0.5
79.05474	0.4
81.03404	0.3
83.01329	34.6
84.01664	0.6
95.04390	0.4
95.04957	4.5
95.08613	0.5
98.79842	0.2
105.04501	0.3
109.10184	0.2
123.04412	16.8
124.04763	0.4
126.97780	0.2
132.47932	0.2
139.03864	0.6
141.05444	10.3
149.18590	0.2
151.03882	9.2
152.03398	0.4
169.04939	100.0
170.05287	3.2
170.08208	0.3
170.09593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
57.44156	0.4
65.03913	0.5
67.01852	3.0
67.05485	2.1
68.56275	0.4
68.99763	2.0
70.39120	0.4
70.40649	2.0
75.41749	0.4
81.07043	0.6
85.02857	0.6
95.04958	5.0
98.49609	0.4
99.07691	0.4
109.02836	0.5
109.67823	0.4
111.59988	0.4
123.04410	27.4
124.04739	0.8
127.03022	0.6
127.03896	7.2
141.05446	0.7
151.03883	42.1
152.04253	0.9
169.04938	100.0
170.05315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	Vanillate
Peak:m/z	Relative Intensity
53.03926	1.2
55.01869	1.7
55.05504	0.9
56.96523	0.5
57.03430	0.6
57.07074	0.4
65.03923	0.9
67.01857	13.6
67.05492	3.1
68.99762	0.4
69.03397	0.6
69.07043	0.6
70.06582	0.4
71.04978	1.0
79.05466	1.2
81.03396	1.1
81.07034	2.4
83.01329	35.8
83.04969	0.6
83.08576	0.6
84.04468	0.5
85.02914	0.4
85.06531	0.5
92.04974	0.5
93.05778	0.5
93.07027	1.2
95.04964	5.4
95.08610	2.7
97.02879	0.5
99.04424	0.8
105.06966	0.6
107.08565	1.0
109.02874	1.7
109.06517	1.0
109.10159	0.8
110.06030	1.0
111.00782	0.5
111.04427	0.9
111.08057	0.8
113.05969	0.6
122.01351	0.4
123.04414	17.6
123.08026	1.7
123.09106	0.3
123.11644	1.6
124.04676	1.0
124.07590	0.8
125.05971	0.4
126.03131	1.7
128.07108	0.5
128.95067	0.5
141.05447	13.5
146.96083	0.5
151.02664	0.6
151.03882	11.3
151.05048	0.7
151.07491	0.8
151.08574	0.5
151.11168	0.8
152.03398	3.0
152.07030	1.4
169.04938	100.0
169.08575	2.9
169.09898	1.9
169.12209	0.7
169.14514	0.8
170.05301	2.9
170.08096	1.9
170.09647	1.7
170.57562	0.4
184.07996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0493
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
50.08006	0.2
53.03934	1.1
55.01857	1.3
65.03912	0.4
67.01853	13.5
67.05495	2.1
69.41272	0.2
70.81136	0.5
70.81496	0.7
79.05470	0.4
81.03407	0.3
81.07040	0.3
83.01330	34.4
84.01707	0.4
91.93719	0.3
95.04952	4.3
101.75631	0.2
107.08533	0.3
111.83736	0.2
123.04410	16.5
123.38300	0.3
124.04759	0.3
138.83113	0.3
139.03880	0.4
141.05446	10.4
151.03894	8.2
151.08559	0.3
152.03415	0.7
152.07077	0.4
169.04939	100.0
170.05286	2.8
170.08186	0.3
170.09660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93649	0.5
55.01863	0.6
55.05508	1.1
56.96553	9.4
56.96816	0.8
60.95835	0.5
62.56074	0.5
65.03927	0.6
67.05497	1.9
67.51054	0.7
67.92503	1.7
67.93550	0.6
69.03409	1.1
69.07069	1.1
71.12759	1.5
73.02934	0.6
81.03389	0.8
81.07054	1.6
82.94833	2.5
83.04973	1.2
83.08585	0.5
83.97616	0.6
84.96054	0.8
84.99558	1.0
85.97273	1.2
85.99939	0.5
88.02393	0.4
93.03429	0.5
94.06548	1.4
94.07376	0.7
95.05001	0.8
96.04411	0.6
96.50535	1.2
97.99148	0.6
98.06034	1.0
98.97589	0.6
100.02471	2.1
100.95870	0.7
102.01540	0.6
102.02213	1.3
102.03370	0.6
102.97075	0.5
103.00611	12.8
103.01299	0.8
103.02500	0.5
103.98306	10.7
104.00909	5.2
104.98385	0.5
107.08544	0.7
108.08870	0.6
109.02829	2.4
111.02041	0.5
111.03847	1.5
111.04512	2.9
115.02489	0.9
115.04086	0.9
116.98547	0.7
117.02136	0.8
118.02785	0.5
118.03514	0.8
119.01898	2.7
120.02004	1.7
120.03262	1.9
121.01644	100.0
121.99347	67.4
122.01936	40.8
122.05984	1.3
122.10427	0.5
122.99446	3.1
123.02060	2.5
123.97440	2.5
124.04626	3.3
126.02171	1.9
126.03076	0.6
126.05527	1.1
126.93749	2.1
126.95575	0.6
126.97186	0.8
126.99909	1.8
127.02506	3.3
127.03872	0.6
129.29848	0.5
130.97470	1.5
131.01854	0.8
132.96597	0.7
133.03453	0.7
133.05135	2.2
134.99706	0.5
135.03203	1.3
137.01263	0.5
137.02945	1.2
137.04770	0.6
138.03014	1.3
139.02666	45.5
139.98102	2.9
140.00380	54.6
140.02979	20.6
140.07022	1.1
140.95152	1.0
141.00476	2.4
141.03094	1.2
141.05421	2.0
141.50253	1.8
142.00391	0.8
144.03204	42.8
144.94800	1.6
145.00923	82.0
145.03551	73.8
145.58517	0.8
146.01030	3.0
146.02937	1.5
146.03908	0.9
146.52449	1.1
149.02870	0.9
150.05434	1.6
151.48746	0.9
154.58989	1.4
156.03603	0.6
158.03270	0.9
161.02965	0.6
162.04262	18.3
162.95844	2.3
163.01952	82.4
163.04611	29.9
163.97739	0.5
164.02037	4.3
167.04816	1.9
167.96355	0.9
168.02531	4.5
168.05116	5.3
168.06537	2.4
168.10057	1.0
169.04823	1.6
181.03728	1.6
185.97459	0.9
186.03477	3.5
186.06082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01862	4.1
55.05502	34.5
56.05828	0.5
57.03415	2.4
57.07053	2.2
59.04999	5.2
65.03931	2.5
65.64925	0.5
66.04716	1.3
66.89037	0.5
67.01814	0.6
67.05492	11.3
67.93544	0.6
68.02652	0.6
68.99772	1.1
69.03062	0.7
69.03420	12.1
69.07063	9.4
71.04980	2.9
71.77325	1.3
78.04697	10.1
79.05040	1.1
79.05482	17.4
80.05022	0.9
80.05788	0.8
81.03412	1.5
81.07043	13.7
81.24783	0.6
83.04968	41.3
83.08115	1.2
83.08604	18.4
84.05289	0.6
84.08129	0.6
85.02869	0.7
85.06520	4.4
91.04944	0.8
91.05465	9.3
93.03382	1.9
93.07030	35.9
94.06556	1.7
94.07335	0.9
95.04945	6.5
95.08584	8.0
96.04517	0.6
96.05700	0.9
97.02862	1.5
97.06519	4.9
97.10153	5.0
99.04460	0.9
99.08084	1.1
103.05424	1.4
105.03405	1.2
105.07016	6.7
106.04156	4.4
107.04948	6.5
107.08577	26.1
108.04473	1.0
108.08189	0.6
108.08903	1.4
109.02847	2.1
109.06495	5.8
109.10135	12.7
111.04408	4.1
111.08066	11.5
111.11669	0.5
112.08843	2.7
112.18934	0.5
113.09624	0.8
119.08591	1.3
121.01642	1.5
121.02841	2.4
121.05627	0.7
121.06492	9.0
121.07419	0.9
121.07647	0.8
121.08395	1.6
121.10126	37.9
122.03612	1.4
122.05977	1.6
122.10437	1.1
123.04411	19.6
123.08055	3.6
123.11684	5.5
124.05260	5.8
125.06004	2.7
125.09608	8.2
126.05491	1.1
131.04872	3.7
131.08536	2.6
134.03572	0.9
135.04341	0.9
135.08081	0.7
137.05960	1.5
139.03883	34.9
139.07513	2.0
139.11174	2.6
140.04245	1.3
140.07037	1.1
140.95094	0.6
143.10655	0.5
144.03207	1.4
147.03654	0.7
149.02290	3.2
149.04921	1.0
149.05971	3.1
149.07086	1.1
149.09590	11.0
149.13246	3.8
150.05449	2.8
151.03903	3.5
152.04649	4.3
167.03313	5.8
167.07016	100.0
167.10661	12.1
167.14281	25.1
168.06328	1.2
168.07610	2.9
182.20071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03922	2.8
55.01860	2.1
55.05503	11.6
57.03423	1.0
57.07065	2.2
59.04993	2.6
65.03936	1.3
67.05492	6.5
69.03416	3.3
69.07058	36.2
70.02364	2.3
70.02775	1.2
71.04977	1.2
77.03900	0.8
78.04696	8.7
79.05479	18.9
81.03400	1.5
81.07043	13.7
83.04963	3.6
83.08605	3.5
91.05463	11.9
93.03387	0.7
93.07029	75.7
94.04193	0.7
94.07367	1.5
95.04947	7.0
95.08594	12.3
95.41045	0.5
96.05703	1.0
97.06516	6.5
97.10143	0.7
100.11226	0.7
103.05467	1.5
105.03387	1.0
105.04507	1.2
105.07011	15.1
106.04162	3.3
106.07813	1.0
107.04943	5.5
107.08572	8.3
109.02842	2.2
109.06501	2.6
109.10134	1.7
110.81278	0.6
111.04424	3.0
111.08059	2.2
111.11708	8.0
113.08334	0.6
114.71912	0.5
119.08553	3.8
121.01653	0.8
121.02847	1.0
121.06495	2.6
121.10123	100.0
122.03588	1.4
122.06008	1.4
122.10473	2.7
123.04414	15.4
123.05285	1.3
123.08051	6.7
123.11665	0.9
124.05206	6.7
125.05975	2.5
125.09607	1.5
126.09169	0.7
127.03973	0.7
131.08517	1.1
133.07576	1.5
134.03593	1.3
135.04422	0.9
137.05968	1.2
139.03867	0.8
139.07549	1.1
139.11156	5.0
149.02354	3.2
149.05951	1.4
149.07051	1.1
149.09590	18.2
149.13217	1.3
150.05476	2.2
151.03905	3.3
152.04659	3.7
152.05797	0.7
154.20874	0.6
162.23337	0.5
163.03827	0.6
167.03374	3.4
167.07019	81.4
167.10648	49.3
167.14301	1.9
168.02806	0.6
168.04179	0.9
168.07358	2.6
168.10985	1.4
168.12357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1064
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03933	1.9
54.43497	0.4
54.59395	0.3
55.01863	1.2
55.05500	1.8
57.03436	2.5
57.07067	1.1
59.04988	1.3
65.03944	0.9
67.05492	3.4
69.03412	1.5
69.07061	1.8
70.32334	1.3
70.32755	0.6
71.04996	0.8
73.02915	1.1
75.04467	6.8
77.03895	0.5
78.04700	1.3
79.05028	0.8
79.05477	11.6
80.05010	0.4
80.05827	0.6
81.03398	0.6
81.07043	12.6
83.04962	1.2
83.08619	0.7
91.05466	12.5
92.05840	0.4
93.07027	100.0
94.07323	1.7
94.11910	0.4
95.04956	4.7
95.08586	6.2
97.06509	3.4
99.28335	0.4
102.73569	0.4
103.05421	0.5
105.04485	0.7
105.07010	8.2
106.04135	0.6
107.04940	1.3
107.08575	16.6
108.08865	0.4
109.02872	0.9
109.06494	2.4
109.10129	0.5
111.04436	1.8
111.08060	16.5
119.08582	1.0
121.01674	0.7
121.02869	0.6
121.06496	2.9
121.10121	68.0
122.10451	1.5
123.04409	2.1
123.08046	3.2
123.11682	3.9
124.05215	1.1
125.05978	3.3
125.09634	1.0
131.08565	1.6
133.07597	0.6
139.03877	0.6
139.07483	0.9
139.11159	4.4
144.03174	0.5
149.02319	1.1
149.06000	0.8
149.09592	8.7
149.10695	0.7
149.13210	0.6
150.05453	0.5
151.03951	0.5
152.04709	0.4
167.03369	1.6
167.05574	0.7
167.07004	12.7
167.08243	0.7
167.10651	10.9
167.14302	0.8
168.06497	0.6
170.15245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
52.18935	0.8
53.03940	2.3
55.01859	1.5
55.05502	2.4
57.03421	2.6
57.07061	2.7
59.04997	3.0
65.03938	0.7
67.05494	7.7
69.03429	1.6
69.07053	2.5
70.84228	2.2
71.04985	1.0
71.45041	0.6
73.02906	1.6
75.04459	4.2
77.03906	0.7
78.04716	3.1
79.05484	18.8
80.05794	0.6
81.07050	22.3
82.07391	0.7
83.04984	3.5
83.08604	0.7
87.04433	0.7
89.75327	0.6
91.05472	10.0
93.03404	1.7
93.07034	87.7
94.07341	1.2
95.04948	4.7
95.08597	11.3
97.06522	4.5
105.03383	1.4
105.04510	0.7
105.07016	11.3
106.04143	1.4
107.04981	3.0
107.08587	18.0
109.02895	0.8
109.06515	5.5
111.04435	6.5
111.08070	14.9
112.28872	0.7
112.62190	0.6
119.08575	2.4
121.06499	3.7
121.10129	100.0
122.10470	2.0
123.04432	5.9
123.08016	4.1
123.11691	7.4
124.05196	2.0
125.05955	8.0
125.09605	1.3
131.08559	1.8
133.07581	1.5
139.07581	0.7
139.11162	10.6
149.02357	0.8
149.05917	1.0
149.09610	13.6
151.03897	1.7
152.04662	1.2
158.87953	0.6
167.03404	1.4
167.05595	1.3
167.07024	26.9
167.08247	1.1
167.10672	20.4
167.14238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02374	0.3
53.03930	1.8
55.01858	0.5
55.05499	1.3
57.03432	2.2
57.07079	0.5
59.04991	0.6
65.03936	0.4
67.05492	1.4
69.03412	0.7
69.07046	0.6
70.02468	1.1
71.04969	0.3
72.08143	0.4
75.04469	8.1
77.03904	0.7
78.04683	0.7
79.05480	6.9
81.03394	0.3
81.07042	6.8
83.04958	0.7
85.06527	0.2
87.04450	0.8
91.05464	9.9
93.07028	100.0
93.79993	0.2
94.07340	1.7
95.04961	4.3
95.08592	2.8
97.06503	1.5
99.04449	0.3
100.03715	0.2
103.05444	0.5
105.04508	0.4
105.07012	6.1
106.04131	0.2
106.07824	0.3
107.04937	0.6
107.08576	3.3
109.06478	0.9
111.04443	0.7
111.08064	18.5
112.08369	0.2
119.08552	1.6
120.90540	0.2
121.06553	1.3
121.10122	60.0
122.10436	1.3
123.04379	0.9
123.08051	2.4
123.11681	1.6
124.05183	0.3
125.05975	1.5
125.09616	0.3
131.08545	1.6
133.07605	0.4
136.30362	0.2
137.09615	0.3
137.77693	0.2
138.06834	0.3
139.03853	0.5
139.11162	3.5
149.09593	6.3
152.04791	0.3
164.75912	0.2
167.03345	0.7
167.05585	0.3
167.07018	6.3
167.10643	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	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03941	1.2
55.01862	1.7
55.05503	3.1
57.03425	0.6
57.07054	0.7
59.04995	1.2
65.03921	1.0
67.05495	2.0
68.99770	0.4
69.03418	2.0
69.07050	1.3
71.04971	0.5
71.42973	0.6
72.82520	0.2
73.02902	2.1
77.03900	0.4
78.04282	0.4
78.04701	4.8
79.05486	9.5
80.05832	0.3
81.03394	0.7
81.07044	4.3
82.06548	0.2
83.04499	0.4
83.04972	5.6
83.08601	1.3
85.02876	0.3
85.06508	0.4
86.06051	0.4
89.03822	0.2
91.05466	5.9
92.05783	0.7
93.03383	0.4
93.07033	14.1
94.06525	0.7
95.04955	5.1
95.08592	1.7
96.05723	0.3
97.06508	2.3
97.10128	0.6
103.05439	1.0
105.03352	0.4
105.04533	0.6
105.07034	1.5
106.04153	1.8
107.04943	2.4
107.08578	6.6
109.02882	1.8
109.06503	3.2
109.10132	1.1
110.84367	0.2
111.04424	2.4
111.08044	1.8
119.04928	1.9
119.05664	0.3
119.08577	0.3
121.01687	0.6
121.02853	20.4
121.05552	0.9
121.06480	8.4
121.07471	0.4
121.08416	1.0
121.10132	6.5
122.03099	0.3
122.03685	0.3
122.06010	0.8
123.04414	10.6
123.08039	1.7
123.11705	0.7
124.05217	2.7
125.05042	0.4
125.05949	1.5
125.09617	1.8
126.05479	0.4
131.08536	1.1
134.03618	0.5
135.04387	0.5
137.04936	0.3
137.05940	0.6
137.09583	0.2
139.02867	0.2
139.03836	1.4
139.07541	1.8
139.09480	0.4
139.11171	1.4
140.07025	0.4
140.95166	0.2
144.03258	0.6
147.04405	0.8
149.02361	2.4
149.04910	2.7
149.05968	7.0
149.07179	0.4
149.09625	2.8
149.13225	0.3
150.05467	0.9
151.03873	2.0
152.04684	1.8
167.03426	2.7
167.07013	100.0
167.10622	4.0
167.14265	1.9
168.07501	2.7
169.03557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.3
53.03930	2.2
55.01857	0.3
55.05513	0.4
65.03934	0.3
67.01857	14.2
67.05495	0.8
71.81503	0.3
71.81917	0.3
77.03915	0.3
77.76941	0.2
79.05497	0.3
81.03410	0.6
83.01316	0.5
83.04978	0.7
83.08604	0.3
84.05617	0.6
85.02898	3.0
86.79911	0.3
91.05465	7.6
93.07031	38.0
94.07369	0.8
95.01344	0.5
95.04953	4.4
103.05446	0.4
105.04519	0.6
111.08075	3.2
121.06492	11.0
124.05188	0.9
125.08222	18.4
126.06600	0.3
127.18475	0.2
138.65807	0.3
139.07524	16.9
140.07884	0.5
149.05960	22.6
150.06381	0.5
156.38083	0.3
167.07018	100.0
168.07396	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	167.0702
Annotation	2,4-Dihydroxy-3,6-dimethylbenzaldehyde
Peak:m/z	Relative Intensity
53.03948	0.8
55.01875	0.6
55.05496	0.9
55.64872	0.2
57.03434	0.2
63.76823	0.2
67.01874	0.2
67.05502	0.7
68.99788	0.3
69.07076	0.4
69.87813	0.3
69.88225	1.0
73.40592	0.2
79.05479	0.7
81.03411	0.4
83.01322	1.4
83.04954	0.4
85.02894	0.8
91.05470	2.7
93.07029	3.9
95.04957	1.3
97.06525	0.8
107.08604	0.2
111.08077	1.9
116.60123	0.2
121.06488	6.5
121.10101	0.4
123.04482	0.2
124.05193	5.9
137.05919	0.5
139.07523	26.7
140.07870	0.7
149.05965	0.3
165.05476	0.4
167.07014	100.0
168.07367	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	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.72123	0.1
52.19962	0.1
52.85592	0.1
55.16445	0.1
70.29121	0.3
70.29527	0.6
75.26793	0.1
79.05485	1.0
91.05461	0.8
93.07037	1.7
95.04957	0.3
98.21404	0.2
103.05451	8.3
107.04940	1.7
112.14785	0.2
120.08087	100.0
121.08438	2.2
131.04907	2.4
148.04791	0.2
149.05952	0.8
166.08582	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19976	1.5
55.01849	3.4
56.05030	14.6
56.96554	100.0
57.03427	9.7
60.04518	1.6
61.01138	1.9
61.02911	16.7
65.92603	3.1
67.05484	3.2
67.51052	7.3
69.03413	29.1
71.06174	4.0
71.95243	2.3
73.02890	3.6
74.00279	2.7
74.02428	33.3
74.06050	5.3
74.97603	3.9
75.01010	2.4
75.02687	6.6
76.51579	8.7
79.01817	4.1
79.05483	1.9
80.05009	3.1
80.94955	5.2
83.00769	15.9
83.04991	1.5
84.01579	1.7
84.04469	1.6
84.96014	4.8
85.02879	15.1
85.51038	1.6
85.52099	1.8
86.51804	4.6
87.02678	3.4
88.02348	2.1
88.51554	3.1
89.00767	8.5
91.50996	1.7
92.01283	18.7
93.03368	1.7
93.07012	4.9
93.53489	1.3
94.51547	12.3
95.01298	5.4
95.04958	3.2
95.52341	7.1
96.03270	1.6
97.00517	2.2
97.02866	6.7
97.52087	3.0
97.99162	18.8
98.01270	5.2
98.97560	23.9
99.04429	1.8
100.02478	1.9
100.51535	5.3
101.00853	6.2
101.02513	2.2
102.00909	12.8
102.02200	12.1
102.05528	13.9
103.00551	8.2
103.05432	5.2
103.52061	23.6
104.01236	2.0
105.03696	6.9
106.01012	2.8
106.96647	1.4
107.04925	2.7
108.04500	1.7
109.52045	3.9
111.00185	2.7
111.02044	2.4
111.04442	1.6
112.00985	1.9
113.02372	17.2
114.51286	3.2
115.01491	4.1
115.02422	5.5
116.00189	11.3
116.01167	1.7
116.03885	1.3
116.98598	15.5
117.03968	2.1
117.51801	1.9
118.03475	3.0
119.01897	37.5
119.05004	1.3
120.00701	5.5
120.01974	80.8
120.03284	4.3
120.04468	2.1
120.05257	6.3
120.08084	78.2
121.01626	26.2
121.97556	3.5
122.02290	1.8
122.52872	2.7
123.51789	2.6
124.04746	3.4
124.93875	2.9
124.95454	2.9
124.99077	2.4
124.99910	3.3
125.01731	3.0
125.02551	3.9
125.03611	1.4
126.52345	1.6
128.02252	1.7
128.98566	3.1
131.01851	3.5
131.51532	2.2
133.03442	8.1
134.00417	6.8
134.02167	6.7
134.50627	1.3
134.99622	8.3
135.04994	3.1
137.02943	12.6
137.53441	1.5
137.98361	3.8
138.03015	32.8
138.05463	4.7
138.09093	1.5
139.02658	9.6
140.00134	1.5
142.03445	15.8
142.43047	1.8
142.94890	1.6
142.96504	5.2
143.00107	4.5
143.01012	3.6
143.03615	74.2
144.03186	18.2
145.51234	3.2
146.99619	2.9
147.04991	2.8
148.03709	2.4
148.04753	10.8
149.01198	1.4
149.02620	4.5
153.00772	1.4
154.51822	2.0
157.03401	1.7
158.01149	2.2
158.99582	2.6
160.04546	5.6
160.96022	4.1
160.97552	9.0
161.01256	11.6
161.02936	12.7
161.04677	25.4
162.04259	7.3
165.00777	1.5
166.05014	13.3
166.08574	12.4
167.07127	4.0
177.00647	3.9
178.98595	8.8
184.02855	1.5
184.04559	1.7
185.01173	1.6
186.99072	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	165.1273
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
54.14188	0.4
55.05508	4.9
57.03439	0.7
59.04997	0.5
61.02935	0.5
67.05501	2.9
69.03426	1.9
69.07050	2.9
69.58819	2.2
69.59249	1.3
71.04973	0.7
73.35298	0.4
79.05479	2.9
81.03416	1.4
81.07050	6.9
83.04975	1.7
83.08611	3.7
85.02882	0.6
85.06515	0.6
87.87239	0.5
91.05465	6.4
91.38696	0.5
93.07015	2.1
95.04958	100.0
95.08587	4.9
96.05264	2.6
97.06509	0.5
105.07018	4.5
107.08580	11.1
109.06506	21.7
109.10145	3.0
110.06863	0.4
119.01928	2.3
119.04935	10.4
119.08565	4.3
120.08099	2.5
120.08864	0.6
121.10108	2.9
123.04400	1.1
123.08081	1.0
123.11690	1.6
124.24613	0.4
137.02969	0.6
137.05933	1.0
137.09612	1.1
137.13208	1.2
138.05469	0.5
138.39386	0.4
142.03485	2.0
142.96693	1.2
147.04393	25.1
147.11667	11.1
148.04752	0.9
148.07530	0.4
154.42699	0.3
160.04555	1.0
165.01781	0.4
165.04381	0.9
165.05527	1.1
165.09053	1.9
165.12740	73.3
166.05011	1.6
166.08652	1.5
166.13098	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	165.1272
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03919	1.1
55.01852	3.3
55.05497	5.4
57.03424	7.9
57.07054	1.3
64.47980	0.8
65.03911	2.0
67.05490	32.6
68.99770	1.0
69.03405	4.2
69.07052	5.9
69.93988	0.7
70.90252	1.7
70.90592	1.2
71.04967	2.7
73.37792	0.8
76.69364	0.7
77.03871	1.2
79.05034	1.5
79.05478	30.4
80.05787	1.0
81.03391	1.7
81.07041	70.9
82.07349	1.7
83.04964	6.6
83.08601	0.9
84.28728	0.8
85.06516	3.4
91.05460	43.9
92.05782	0.9
93.07028	35.7
94.07356	1.3
95.04946	6.7
95.08585	18.1
97.06524	7.3
99.08108	0.9
105.07008	59.0
106.07328	1.5
107.07846	1.2
107.08569	23.3
109.06491	10.4
109.10134	6.0
117.06974	1.3
119.01903	3.7
119.04911	13.6
119.08559	47.4
120.08082	3.3
120.08926	2.4
121.10121	57.0
122.10436	3.0
123.04401	1.4
123.08057	6.5
123.11665	8.7
126.62496	0.8
137.02910	1.0
137.05942	2.0
137.09583	3.1
137.13242	1.8
142.03481	3.5
145.10132	1.1
147.04378	32.4
147.11658	100.0
148.04744	1.5
148.12012	2.9
160.04613	1.6
165.05406	4.2
165.06757	1.5
165.09087	3.8
165.12726	84.5
166.04854	1.0
166.08528	1.2
166.13042	4.2
172.95105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.71253	0.7
53.03928	2.4
55.01852	3.7
55.05501	7.2
56.31124	0.8
57.03415	6.2
60.17659	0.8
65.03920	1.6
67.05493	33.1
68.05817	1.0
69.03425	5.6
69.07061	7.1
70.15953	4.9
71.04970	3.2
74.37256	0.8
79.05480	27.9
80.04996	1.1
81.03381	1.1
81.07043	71.8
82.07362	1.5
83.04963	8.1
83.08610	1.0
85.06518	3.3
91.05465	46.9
92.05794	1.9
93.07031	35.8
94.07340	1.1
95.04390	1.4
95.04954	18.0
95.05877	0.8
95.08597	22.4
96.08912	0.9
97.06516	7.7
101.00871	1.1
103.05458	1.4
105.07015	64.0
106.07320	2.0
107.08573	24.8
109.05824	1.3
109.06510	14.1
109.10121	6.5
111.13999	0.9
119.01918	5.8
119.04924	21.1
119.08562	51.5
120.05234	1.2
120.08065	5.8
120.08922	2.5
121.10126	62.6
122.07204	1.0
122.10474	1.9
123.04408	2.4
123.08039	7.1
123.11691	8.7
129.33510	0.8
133.02850	1.0
137.02950	1.6
137.05923	2.5
137.09602	9.0
137.13240	1.7
142.03484	5.1
142.96643	3.1
145.10043	1.8
147.04387	53.9
147.11661	100.0
148.04739	2.1
148.12004	5.0
160.04582	2.0
165.01834	1.2
165.04233	1.1
165.05415	3.6
165.06665	1.3
165.09076	14.3
165.12730	91.6
166.04980	2.3
166.08603	2.4
166.13124	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	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03940	1.6
55.01859	0.9
55.05503	1.2
57.03441	0.8
57.47205	0.6
65.03931	1.6
67.05494	12.3
69.03421	1.6
69.07028	0.7
70.63385	0.5
70.78807	1.1
70.79120	0.7
71.05003	0.9
79.05482	30.4
81.03424	0.5
81.07044	100.0
82.07365	1.4
83.04993	0.6
85.02888	0.6
91.05463	5.4
93.07032	4.5
95.04958	4.1
95.08590	12.9
95.79745	0.6
101.00857	1.1
105.07020	10.7
107.08577	53.0
108.08943	1.9
109.06502	35.4
109.10121	1.0
119.01913	4.6
119.04917	5.8
119.08571	6.0
120.08073	1.5
121.10149	2.0
123.08051	76.9
123.11701	5.1
124.08364	2.9
127.07536	38.1
128.07863	1.4
135.77382	0.6
137.02895	2.0
137.05997	1.4
137.09605	1.2
142.03459	3.9
142.96703	1.4
145.10123	0.7
147.04390	14.4
147.11662	44.7
148.04701	1.0
148.12006	2.5
160.04578	1.7
165.01755	0.7
165.05405	1.7
165.12735	87.0
166.08546	0.9
166.13036	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	165.0545
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
53.03927	1.8
55.01868	2.5
65.03924	3.5
69.97138	2.9
79.05485	8.1
81.03393	1.2
81.07047	9.0
83.01339	3.5
87.49774	0.4
91.05470	10.9
92.05828	0.7
94.09506	0.4
95.04951	2.2
98.20771	0.7
109.02840	1.1
109.06503	32.5
110.06841	0.7
119.04903	3.4
119.42454	0.5
127.03896	1.2
137.05959	28.7
138.06259	1.0
147.04405	1.7
165.05455	100.0
166.05756	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	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.05566	0.2
65.03936	0.9
70.08450	0.6
70.08873	0.7
70.95342	0.2
91.05470	16.9
92.05790	0.4
95.04945	1.2
101.00869	0.2
103.05431	0.3
119.01913	0.9
119.04930	40.3
120.05254	1.4
120.08109	0.3
123.04427	2.6
137.02893	0.4
142.03462	0.9
147.04393	100.0
148.04738	4.2
160.04523	0.4
165.05510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03931	0.3
55.05488	0.4
65.03930	1.0
67.05502	1.9
69.03426	1.1
69.86494	1.7
79.05489	0.8
81.07034	0.8
91.05465	19.3
92.05789	0.5
93.07022	1.6
95.04960	2.3
95.08585	0.9
101.00866	0.4
103.05440	0.5
105.07036	1.2
107.08582	0.4
109.06503	0.5
109.10142	1.6
117.07042	0.2
119.01970	1.4
119.04923	40.0
119.08548	4.5
120.05247	1.2
120.08097	0.8
121.06531	0.5
121.10100	0.3
123.04395	3.1
123.08050	0.8
137.02922	0.5
137.05969	0.8
137.09634	1.2
142.03479	1.4
147.04384	100.0
148.04723	4.4
160.04486	0.3
165.01810	0.3
165.05461	2.8
165.09065	1.9
165.12646	0.3
166.08606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03933	0.6
55.01865	0.4
55.05488	0.4
65.03923	1.3
67.05484	1.0
69.03403	0.8
70.85982	0.5
70.86349	0.7
72.25705	0.3
79.05476	1.2
81.07047	1.4
87.88222	0.3
91.05466	19.4
92.05793	0.5
93.07032	1.3
95.04961	1.9
95.08606	1.1
103.05438	0.9
104.23183	0.3
105.07012	1.6
107.04917	0.3
107.08562	0.5
109.06502	0.7
109.10146	0.7
111.04436	0.3
119.01917	2.2
119.04926	41.7
119.08563	2.7
120.05225	1.7
120.08084	5.0
121.10147	0.7
123.04415	3.0
123.08055	0.7
123.11681	0.5
132.43431	0.3
133.06464	0.3
137.02943	0.7
137.05940	1.3
137.09578	1.3
142.03474	2.4
142.96750	0.4
147.04388	100.0
147.11650	1.0
148.03752	0.3
148.04758	4.0
160.04559	0.6
165.01808	0.6
165.04251	0.5
165.05548	2.4
165.09146	1.7
165.12720	1.0
166.04913	0.4
166.08562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
52.82633	1.7
55.05507	3.1
67.05504	11.4
69.03402	4.6
71.81474	2.3
79.05479	6.5
81.07047	12.7
83.02455	21.0
83.04956	2.9
83.06109	3.3
91.05483	16.7
95.04395	2.8
95.04955	32.2
95.08584	3.8
105.06983	2.9
107.08575	4.3
109.06500	28.0
109.10133	13.5
117.36230	1.8
119.04916	9.1
119.08556	9.4
120.08109	3.8
122.07278	9.7
123.09147	2.4
124.05047	4.8
124.08684	8.1
129.32588	2.3
137.05959	16.5
137.09593	39.6
147.04402	21.6
147.11629	3.0
147.61070	1.9
148.07527	2.4
165.05472	49.4
165.09087	100.0
165.11330	4.6
165.12666	18.0
166.04829	2.5
166.08490	4.7
179.69763	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02389	0.5
53.03933	2.7
54.30814	0.5
55.01865	2.8
65.03926	4.2
69.90752	3.7
73.19789	0.4
79.05482	6.7
81.03385	1.3
81.07044	8.9
83.01326	3.8
88.24463	0.5
90.95986	0.5
91.05466	13.0
91.49001	0.5
95.04932	2.5
109.02878	1.1
109.06506	33.1
110.06824	0.9
119.01945	0.6
119.04932	4.8
127.03904	1.4
131.36105	0.5
137.05957	30.6
138.06303	1.3
142.03503	0.5
147.04411	3.8
165.05453	100.0
166.05792	4.6
173.34201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
53.03938	2.0
55.01857	2.3
56.88152	0.4
65.03926	3.6
69.03413	0.6
71.81754	0.4
77.03893	0.5
79.05482	7.8
81.03394	0.9
81.07047	9.8
83.01322	4.5
91.05466	12.5
94.04168	0.5
95.04963	2.7
99.42872	0.3
109.02879	0.7
109.06501	33.9
110.06815	1.2
119.04939	3.4
124.76859	0.3
125.17397	0.4
127.03883	1.5
137.05956	30.4
138.06290	1.2
138.33557	0.3
141.23848	0.3
147.04372	2.0
165.05450	100.0
166.05768	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	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67053	0.3
56.05036	0.5
56.96552	2.8
57.03415	0.5
74.02435	1.0
74.06053	0.4
78.72070	0.4
82.02712	0.4
82.71983	0.5
82.99841	1.5
85.02878	0.6
91.05481	0.6
95.04951	1.6
98.97583	0.4
99.04423	0.4
100.02467	1.7
101.00859	19.6
101.02555	0.9
102.00954	0.5
102.05529	0.5
116.98601	0.8
118.03526	0.7
119.01900	100.0
119.04810	2.0
119.58052	0.4
120.01984	4.4
123.04399	5.2
124.02399	5.1
130.65680	0.5
133.03467	0.8
137.02930	31.9
138.03067	1.4
139.03323	0.5
142.03471	82.5
143.03647	3.8
147.04393	3.4
147.98334	0.5
150.52078	0.4
151.77888	0.5
153.34108	0.4
160.04530	25.9
161.01180	0.5
161.04659	1.4
165.05170	2.9
183.06111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
53.03945	2.7
53.83946	0.5
55.01854	2.6
57.03411	0.6
60.32027	0.5
65.03945	3.4
69.03414	1.1
69.81259	1.5
69.81685	2.3
79.05483	7.2
81.03389	1.7
81.07051	8.1
83.01329	3.2
85.90488	0.5
91.05470	11.3
92.05813	0.7
95.04958	2.6
109.06511	32.8
111.04470	0.7
118.43636	0.5
119.04936	5.8
127.03931	0.8
137.05968	29.5
138.06291	1.1
147.04396	5.1
165.05464	100.0
166.05812	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	165.0544
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
50.89154	0.4
53.03948	2.7
53.04141	0.5
55.01857	2.9
57.05130	0.4
65.03928	3.4
69.03403	0.6
69.79981	2.5
74.69005	0.4
77.03930	0.6
79.05485	8.0
81.03400	1.0
81.07043	8.7
83.01331	4.3
91.05470	12.7
94.04208	0.5
95.04961	2.6
107.13174	0.4
109.02864	0.6
109.06500	32.8
110.06826	0.7
119.01871	1.0
119.04920	5.1
119.81278	0.5
127.03892	0.8
133.29588	0.4
137.05959	27.7
138.06279	1.0
142.03488	0.8
143.72566	0.4
147.04372	3.8
165.05450	100.0
166.05801	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	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64269	0.3
62.62784	0.3
65.93338	0.4
71.29089	0.4
71.29436	0.7
82.99841	1.4
95.07536	0.3
100.02470	1.4
101.00857	18.7
102.00949	0.8
118.03503	0.5
119.01898	100.0
120.01968	5.0
124.02415	5.1
137.02931	33.1
138.03020	1.7
142.03474	89.1
143.03603	3.2
160.04527	28.7
161.04701	1.9
165.05069	2.6
183.06163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67053	0.3
56.05036	0.5
56.96552	2.8
57.03415	0.5
74.02435	1.0
74.06053	0.4
78.72070	0.4
82.02712	0.4
82.71983	0.5
82.99841	1.5
85.02878	0.6
91.05481	0.6
95.04951	1.6
98.97583	0.4
99.04423	0.4
100.02467	1.7
101.00859	19.6
101.02555	0.9
102.00954	0.5
102.05529	0.5
116.98601	0.8
118.03526	0.7
119.01900	100.0
119.04810	2.0
119.58052	0.4
120.01984	4.4
123.04399	5.2
124.02399	5.1
130.65680	0.5
133.03467	0.8
137.02930	31.9
138.03067	1.4
139.03323	0.5
142.03471	82.5
143.03647	3.8
147.04393	3.4
147.98334	0.5
150.52078	0.4
151.77888	0.5
153.34108	0.4
160.04530	25.9
161.01180	0.5
161.04659	1.4
165.05170	2.9
183.06111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69403	1.3
53.03927	4.9
55.01852	5.3
55.05238	2.4
55.05503	49.3
57.03418	1.7
57.07067	100.0
58.07406	1.8
59.04985	3.1
60.36965	1.4
61.02901	1.6
64.89307	1.3
65.03947	1.6
67.05482	4.3
69.03403	6.2
69.07057	2.8
70.08286	8.5
70.17368	1.4
71.04995	1.9
71.43246	1.4
72.52224	1.3
77.03912	2.5
79.05482	21.8
79.73975	1.9
81.06608	1.5
81.07048	18.4
81.15165	1.4
83.08598	11.9
85.02888	5.4
89.03921	9.9
89.06020	86.2
91.05472	16.7
93.06503	2.1
93.07034	24.4
95.04939	9.9
95.08614	2.3
98.21342	2.6
101.09648	18.8
103.05456	21.1
105.03416	2.6
105.07012	12.1
107.04939	16.9
107.07050	15.1
107.08578	25.5
109.06508	5.6
115.05453	3.3
117.03353	6.1
117.07002	12.3
118.03520	1.5
119.04891	1.6
119.08571	14.4
121.02835	2.2
121.06486	8.4
121.10134	29.4
127.07558	7.1
130.06508	2.6
130.07762	3.2
131.04918	29.7
132.05228	1.9
132.08061	4.1
133.02863	7.4
135.04404	29.4
135.08029	15.0
135.11690	7.2
136.07544	5.6
145.02820	6.2
145.03848	1.8
145.06444	5.1
145.10107	31.6
161.02902	2.9
163.03882	99.3
163.07509	21.3
163.11156	59.6
163.12273	3.5
163.14830	5.3
164.04308	7.0
164.06952	3.5
164.11557	2.5
164.14276	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	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.26042	0.7
52.31212	0.6
53.03943	4.1
55.05503	7.2
56.33464	0.7
57.07066	6.3
65.03928	1.1
66.34409	0.6
67.05494	5.7
69.03410	1.4
69.07059	17.8
71.08615	1.8
71.81100	1.2
77.03936	1.2
79.05482	22.7
80.05816	0.9
81.07043	44.2
82.07376	1.1
83.08610	6.9
89.03884	1.0
89.06025	1.5
91.05466	8.2
92.02615	1.7
93.07030	40.4
94.07373	0.8
95.04957	7.0
95.08591	27.1
95.09200	1.4
97.10142	0.8
100.02480	0.8
103.05437	1.6
105.03365	2.3
105.04498	1.7
105.07019	6.8
107.04956	1.1
107.08578	100.0
108.08909	3.6
109.06509	2.0
109.10124	1.2
110.11231	0.7
117.03375	0.8
117.05561	0.7
117.07000	1.6
118.03521	1.3
119.06085	0.8
119.08556	2.3
120.08079	0.9
121.06489	3.1
121.10128	34.5
122.10503	1.2
130.06534	0.9
131.04910	2.0
132.08087	2.1
133.02827	9.3
135.04398	12.6
135.05363	1.2
135.07983	1.0
135.11682	13.6
136.04773	0.9
145.02843	1.3
145.10109	3.9
150.51501	0.7
163.03883	50.7
163.07555	2.4
163.11122	5.7
163.14803	83.4
164.04218	2.7
164.07062	1.8
164.15231	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	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.33932	0.9
52.10307	0.9
53.03930	3.3
55.01871	6.2
55.05492	3.5
55.05724	1.0
57.03436	0.9
57.07061	1.9
63.58610	0.9
64.93079	1.0
65.03926	1.3
67.05496	7.4
67.41590	1.0
69.03402	4.2
69.07047	3.2
70.07044	5.4
71.04990	1.1
79.05487	29.4
81.03390	1.8
81.07048	42.6
82.07413	0.9
83.04995	1.0
85.02902	2.5
89.03918	2.4
91.05467	12.5
91.69636	1.0
93.03389	1.9
93.07034	52.6
95.04961	9.5
95.08585	4.8
98.57496	1.1
103.05448	12.2
105.07026	18.6
107.04947	5.4
107.08585	34.0
109.06509	13.7
115.05436	1.7
115.32620	0.9
117.03353	2.6
117.07002	12.6
119.08574	21.7
121.06485	4.7
121.10134	53.7
122.10449	1.9
123.08135	1.0
127.07559	11.6
129.07013	1.7
130.07788	7.1
131.04913	14.1
133.02843	2.7
135.04404	8.6
135.08046	13.7
135.11671	8.2
143.08563	2.9
145.02824	3.3
145.10107	67.3
146.10434	3.5
148.08801	1.9
161.09586	1.1
163.03885	24.4
163.05141	1.7
163.07526	15.0
163.11162	100.0
163.14787	6.7
164.11494	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03936	4.4
55.01874	4.9
55.05501	9.8
57.03433	1.5
57.07069	12.9
59.78321	0.7
61.02898	1.2
65.03934	2.0
67.05495	6.8
68.17768	0.8
69.03420	6.3
69.07059	4.6
71.28931	1.6
73.02869	0.7
74.66939	0.8
77.03891	0.9
79.05483	30.6
79.05944	1.7
81.03409	1.4
81.07047	36.4
83.04954	1.4
83.08604	1.9
83.94753	0.7
84.08115	0.9
85.02893	4.5
89.03894	5.1
89.06013	10.0
91.05468	15.6
92.02612	1.9
93.07034	47.3
95.04953	13.9
95.08594	5.0
97.02880	1.2
97.06498	1.4
99.04417	1.1
101.09632	2.0
103.05450	11.9
105.03374	2.1
105.04501	1.1
105.07018	20.2
106.06539	1.2
107.04942	10.6
107.07044	2.1
107.08578	27.1
109.06506	11.6
115.05428	2.3
117.03354	4.5
117.05690	1.2
117.07001	17.3
119.04890	1.3
119.08569	22.4
119.09427	1.1
121.02853	1.3
121.06487	8.4
121.10126	46.5
122.10468	1.4
123.08047	1.1
127.03864	1.0
127.07542	11.6
130.06526	1.8
130.07762	6.9
131.04913	11.8
132.08057	2.7
133.02843	11.1
133.06462	1.6
133.10120	1.1
135.04405	23.6
135.08038	15.7
135.11679	10.0
136.04739	1.0
136.07544	1.7
143.08517	3.5
145.02808	2.7
145.06487	3.9
145.10106	62.1
146.10446	2.5
148.08821	1.2
163.03889	81.7
163.07518	16.0
163.11162	100.0
163.14752	7.8
164.04340	4.0
164.07054	2.4
164.11571	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03935	1.5
63.02363	1.2
65.59092	0.4
68.23796	0.4
70.82757	1.0
73.59902	0.4
77.03940	0.4
79.05480	8.5
88.42738	0.4
89.03905	54.7
90.04241	1.2
91.05444	0.5
93.71110	0.4
95.04936	2.6
98.61204	0.4
105.04471	0.9
107.04941	12.4
117.03362	49.3
118.03710	1.4
124.78380	0.4
132.89125	0.4
135.04396	93.2
136.04752	2.6
138.84390	0.5
145.02827	45.1
146.03210	1.2
163.03883	100.0
164.04257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.01634	0.4
53.03925	0.9
62.01564	0.4
63.02077	0.5
63.02375	1.7
64.68442	0.4
66.27494	0.4
70.09822	2.7
70.80067	0.4
75.32927	0.5
79.05482	7.5
89.03904	48.1
90.04221	0.5
95.04948	2.3
98.20644	0.7
101.09840	0.4
105.04453	0.5
107.04939	12.0
114.10387	0.4
117.03362	49.3
118.03703	0.6
131.04889	0.5
135.04396	97.0
136.04739	2.5
145.02827	47.9
146.03185	2.0
163.03882	100.0
164.04243	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	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.23111	0.5
53.03934	0.6
55.05502	3.8
67.05495	2.7
69.07056	4.3
74.06059	1.1
79.05478	4.7
80.28532	0.5
81.07043	17.6
84.38343	0.5
87.04478	0.5
91.05467	21.3
91.06042	1.0
92.05798	0.8
93.07029	7.4
95.04928	0.9
95.08585	1.8
98.06053	0.5
103.05418	1.2
105.07012	100.0
106.06680	0.5
106.07330	2.8
107.08582	1.9
115.05482	0.8
116.03656	0.5
117.06991	3.8
119.08560	92.1
120.06577	1.3
120.08865	3.2
131.08516	2.8
131.65752	0.5
133.06435	1.0
133.10106	23.5
134.10506	0.6
143.08598	0.7
146.10674	1.7
159.11693	1.7
161.05971	1.9
161.09630	4.6
161.13232	79.4
162.05489	0.6
162.09027	0.6
162.13609	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03925	0.9
55.05505	4.6
65.03933	1.0
67.05496	12.4
69.07059	5.9
69.22799	0.4
70.88823	0.8
79.05479	11.6
81.07045	20.9
82.07368	0.5
83.08598	0.8
91.05464	42.8
92.05814	1.1
93.07029	16.8
95.04937	1.5
95.08595	7.7
103.05470	1.1
104.06227	0.4
104.43211	0.4
105.07014	72.1
106.07303	1.8
107.08591	3.7
117.06989	6.1
117.07792	0.5
119.08562	92.7
120.08784	1.9
131.08530	3.0
132.09311	1.6
133.10110	61.1
134.10460	1.9
145.10133	0.7
146.10944	0.6
159.11707	1.9
161.05917	0.8
161.13234	100.0
162.13594	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03933	0.8
55.05506	3.5
55.86498	0.4
57.04239	0.5
64.27396	0.5
66.40414	0.5
66.62707	0.5
67.05486	2.2
69.03402	0.6
69.07055	4.9
74.06073	0.9
76.34837	0.5
77.03932	0.6
77.25255	0.4
79.05480	4.4
81.07045	11.8
91.05466	15.9
92.05832	0.8
93.07026	5.9
95.04961	0.9
95.08593	1.5
103.05463	1.3
105.07017	95.9
106.07310	2.3
107.08582	1.9
115.05430	1.0
117.07006	3.3
118.06521	1.3
118.07705	0.6
119.08565	100.0
120.08875	3.1
121.10114	1.7
131.08565	2.7
132.09325	0.8
133.06526	0.8
133.10110	26.8
134.10435	0.8
145.10088	1.0
146.10846	1.8
147.11682	0.6
159.11664	1.4
161.05939	1.0
161.07118	1.1
161.09665	2.7
161.13240	70.8
162.05482	1.1
162.09050	0.7
162.13611	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03928	3.6
53.20874	3.1
55.05500	7.7
67.05489	8.4
69.03415	3.3
69.07075	7.3
69.51741	33.1
79.05498	16.7
81.07046	41.5
88.02212	3.7
91.05466	41.3
93.07040	23.1
95.04125	3.0
95.04959	3.5
95.08595	6.5
97.77309	3.3
98.06021	3.1
105.07016	100.0
107.08573	5.7
117.06965	5.6
119.08566	86.2
120.05586	13.4
121.06389	8.4
131.08607	5.8
133.10117	33.8
161.05930	3.8
161.07100	5.3
161.08240	7.3
161.09688	11.0
161.13237	93.3
170.12689	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	160.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.3
57.68031	0.2
71.76452	0.3
75.21238	0.2
101.00915	0.3
116.04725	100.0
117.05060	2.9
119.01907	0.7
134.05771	0.8
160.03682	16.5
161.02902	0.4
161.04065	0.5
171.42017	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.96547	0.6
58.99853	0.3
59.47841	0.1
60.95827	0.4
66.00847	0.1
67.05495	0.4
69.03425	0.2
70.33138	0.6
71.95260	0.2
78.93109	0.2
79.05470	0.2
82.99803	0.8
83.04977	0.3
87.92484	0.1
88.02169	0.1
91.05457	0.2
93.07043	0.2
98.97543	0.5
100.02460	0.3
100.97195	0.2
101.00864	11.5
101.95013	2.3
101.97190	0.2
102.00919	0.9
102.96857	1.5
103.00634	0.3
103.02419	0.9
105.07024	0.4
107.05250	1.0
107.55315	0.3
108.66310	0.1
111.04412	1.2
113.02357	0.2
116.05775	3.3
116.55878	0.5
116.98586	0.5
118.03507	0.3
119.01904	100.0
119.96061	1.1
119.98829	0.3
120.01986	8.6
120.97884	1.4
121.01646	1.3
121.02362	0.4
121.03474	0.6
125.02568	0.2
127.56582	0.7
129.04782	0.7
129.54820	0.3
133.03484	0.2
133.10074	0.2
134.99680	0.4
137.02936	47.8
137.97092	1.1
137.99808	0.4
138.03033	4.1
138.05275	0.4
138.55392	0.2
138.98915	1.3
139.02574	0.3
142.03481	3.3
143.01930	0.3
143.03627	3.7
144.03227	1.3
147.05003	0.4
151.04570	0.2
154.49399	0.1
155.98155	0.4
156.99971	0.2
160.04533	1.1
160.98746	0.2
161.02931	5.6
161.04601	2.1
161.07094	0.1
161.09572	0.3
162.03030	0.5
162.04292	0.6
162.05461	0.2
165.06113	0.3
179.03984	9.6
179.05428	0.4
180.04102	0.5
180.05536	0.2
184.04558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05514	0.8
56.96563	0.6
57.03445	0.4
65.03918	0.4
67.05495	2.7
67.10135	0.4
69.03442	0.5
69.07140	0.4
70.06578	0.6
70.11600	2.0
70.20501	0.4
71.05016	0.5
76.93359	3.3
79.05489	1.5
81.07041	1.3
86.06085	0.5
91.05470	10.6
93.07038	1.2
94.94410	0.8
95.04949	0.5
96.08150	0.4
103.05487	0.9
105.07015	14.4
106.07350	0.6
113.02320	1.1
113.07948	0.7
114.09178	1.1
115.05424	3.8
116.06230	1.5
117.07004	25.9
117.95960	3.2
118.07333	0.9
119.08571	7.5
128.06197	1.0
129.06985	10.9
130.07780	12.7
131.08554	66.3
132.08867	2.1
135.96980	3.0
141.01782	4.5
142.07718	0.9
143.08513	1.2
144.09329	16.5
144.85648	0.4
157.10118	3.1
158.98555	0.5
159.11673	100.0
160.07542	0.5
160.09683	1.3
160.12003	4.9
166.94038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1015
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
55.01868	7.0
55.05499	2.1
56.56769	0.5
57.03423	1.3
57.07061	0.9
65.96171	0.6
67.05502	5.6
69.03416	3.8
69.07059	1.5
70.06569	0.7
70.12863	2.0
70.13281	1.3
71.01329	0.7
71.04972	3.2
72.04533	0.6
72.08138	1.0
76.93359	4.0
77.90579	0.5
79.05502	2.7
81.07052	16.5
83.04969	1.9
83.08593	0.9
85.02895	1.8
85.06542	2.0
91.05489	2.3
93.07066	1.0
94.94415	0.6
95.04995	1.2
95.08603	14.4
95.59640	0.5
96.08916	0.6
97.06525	100.0
98.06850	3.0
98.21393	0.6
98.97584	1.7
99.04429	1.8
99.08115	1.5
105.07016	2.3
113.02380	1.4
113.05999	1.7
113.09637	2.1
114.09171	1.6
115.05483	1.0
116.98592	0.8
117.05730	0.7
117.07037	1.6
117.95970	3.7
118.06541	0.7
118.96735	0.8
120.24411	0.6
123.08065	6.7
129.07018	1.2
130.06477	0.9
131.08565	4.1
132.08037	4.4
134.99657	0.9
135.97002	3.4
141.01817	5.9
141.09097	21.8
141.10168	1.2
141.64662	0.6
144.09375	2.0
148.44859	0.5
149.25365	0.6
159.02881	1.1
159.04395	0.9
159.06923	0.7
159.08020	2.6
159.09189	3.9
159.10135	2.3
159.11647	6.7
160.05109	0.8
160.07539	3.0
160.09686	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1013
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
55.01602	0.6
55.01860	8.5
55.05500	2.0
55.87884	0.3
57.03415	0.6
57.79392	0.3
67.05492	6.2
69.03416	6.2
69.07040	0.8
69.65188	2.6
70.06570	0.6
71.01341	0.5
71.04974	2.5
76.44698	0.3
76.93356	2.5
78.56393	0.3
79.05482	4.6
81.03410	0.6
81.07040	17.6
82.07362	0.7
83.04961	3.6
83.08614	0.7
85.02891	1.6
85.06526	1.4
91.05463	1.2
93.07027	1.1
94.94403	0.4
95.04958	2.1
95.08586	16.2
96.08912	0.6
97.06512	100.0
98.06849	2.6
99.04430	1.1
99.08047	0.5
103.05450	3.6
105.07022	1.4
113.02350	1.2
113.06026	1.9
113.07954	0.6
113.09628	0.5
114.05515	0.7
114.09156	0.9
115.05497	0.5
117.07021	1.4
117.95959	2.7
118.06563	0.4
119.08560	0.5
121.28334	0.4
123.04408	0.5
123.08041	6.6
129.07002	0.6
131.04901	3.7
131.08545	2.1
132.08073	1.1
135.50645	0.6
135.96997	1.4
139.03835	0.5
141.01791	3.8
141.05420	0.8
141.09081	18.4
142.09454	0.7
144.09325	1.0
159.03084	0.4
159.04340	1.8
159.06938	0.5
159.08049	1.4
159.09125	1.3
159.10150	1.0
159.11646	4.9
160.07538	1.6
160.09671	0.9
177.05493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03929	3.6
55.01874	0.7
55.05493	5.1
56.05037	0.6
56.96549	2.9
57.03423	2.3
57.07063	1.1
59.04974	0.4
59.93085	1.0
60.04509	0.6
62.53682	0.4
67.01862	0.6
67.05486	4.1
69.03414	3.0
69.07065	1.4
70.06590	1.5
70.30717	2.0
71.04977	7.9
71.06941	0.4
72.04517	1.4
72.08142	0.7
74.06079	0.5
75.04492	0.8
76.93357	8.4
79.05476	0.6
81.03399	7.9
81.04553	0.4
81.07043	2.4
83.04984	1.9
84.04470	0.5
84.08129	0.9
85.02881	6.6
85.06537	3.8
86.06055	0.7
91.05469	2.5
93.07002	0.4
94.94366	2.7
95.04952	3.0
95.08584	4.9
96.04483	0.4
96.08949	0.5
97.02889	0.8
97.06518	1.2
98.20785	0.6
98.97556	5.1
99.04437	9.5
99.08054	2.1
100.04823	0.5
100.07610	0.6
101.06066	0.5
103.03918	1.0
103.05452	1.0
105.07003	2.1
109.02859	17.1
112.07571	0.5
112.95448	0.9
113.02345	4.5
113.05983	23.8
113.07918	1.4
113.09630	0.5
114.05547	0.9
114.06313	0.6
114.09158	2.2
115.05432	13.5
116.04952	0.5
116.06297	0.6
116.97219	0.6
116.98582	9.5
117.01862	1.0
117.05615	13.8
117.07050	1.2
117.95955	8.2
117.96751	0.8
117.98913	0.6
118.06533	3.8
118.96744	4.4
123.04424	1.0
123.08063	1.7
127.03898	3.0
129.06990	0.9
130.06494	22.1
131.04884	1.8
131.06908	1.8
131.08490	2.9
132.08060	86.1
133.08383	2.6
133.59792	0.4
134.85652	0.5
134.99626	13.4
135.96983	7.5
135.99985	1.2
140.04889	1.1
141.01799	15.8
141.05440	8.8
141.09084	0.9
142.02109	0.5
142.06490	26.2
142.08438	1.0
143.07248	0.7
144.05670	0.7
144.06841	0.5
144.09329	1.0
150.95630	0.7
153.00679	4.2
153.96698	0.6
154.01028	0.6
154.96458	1.5
158.01215	1.1
158.08350	1.7
158.98535	1.1
159.02872	2.0
159.04410	1.2
159.09129	100.0
159.11708	3.5
159.15715	1.3
160.04059	0.5
160.07550	16.9
160.09543	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	159.065
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
53.03940	16.9
55.01861	0.9
55.05502	19.3
56.05015	0.8
56.96558	5.8
57.03431	7.9
57.07061	1.0
58.63073	0.7
59.93110	0.9
67.05489	5.1
68.04993	0.9
69.03413	2.1
69.07053	1.8
69.90943	3.5
70.06564	1.5
71.01334	1.2
71.04983	18.2
72.04465	0.9
72.08105	0.9
73.08478	0.9
75.04472	4.9
76.93356	7.6
79.05476	3.0
81.03406	33.1
81.07043	7.8
82.07384	1.8
83.04952	1.5
84.08127	1.0
85.02892	32.3
85.06528	10.2
86.06069	0.9
87.04437	1.8
89.03825	0.7
91.05478	1.9
93.27826	0.6
94.94394	1.9
95.04951	3.7
95.08604	3.5
95.63165	0.8
96.08950	1.1
97.02866	1.1
97.06530	2.2
98.97572	15.1
99.04441	37.9
99.08053	1.3
99.97903	0.9
100.04781	0.8
103.03918	8.1
103.05416	0.8
105.06985	0.9
109.02863	77.7
110.03195	1.9
113.02378	4.7
113.05989	100.0
114.05501	0.8
114.06283	1.5
114.09152	1.9
115.05410	1.1
116.98610	16.1
117.05476	43.4
117.95962	7.5
117.98960	1.6
118.06545	1.1
118.96759	3.9
118.98243	0.6
119.01852	0.9
123.08031	1.8
124.05859	0.6
124.07568	0.6
124.08430	0.9
127.03889	8.8
129.06973	1.0
129.57164	0.6
131.04910	1.7
131.08546	2.5
132.08083	1.9
134.99635	14.0
135.97006	5.1
136.00041	1.1
138.12512	0.6
141.01807	14.2
141.05444	33.0
141.09103	1.3
142.08591	1.5
153.00691	2.5
153.04863	1.1
154.96463	1.1
158.01257	1.1
158.99660	2.2
159.02913	2.2
159.04272	0.8
159.06567	2.6
159.08028	1.5
159.09154	2.6
159.10152	1.4
159.11691	4.0
160.00618	1.2
160.07596	2.3
160.09653	2.0
162.05402	0.8
173.04697	0.7
177.00719	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	159.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.9
53.83448	0.9
54.26395	0.9
55.01848	2.7
55.05506	18.6
56.26174	0.7
56.96304	1.3
56.96561	20.4
57.03431	42.3
57.07071	2.2
59.93093	2.8
60.04513	1.0
61.02905	1.9
65.03928	1.7
67.05499	11.9
68.05833	1.0
69.03428	6.7
69.07053	6.9
70.06577	3.4
70.19266	4.3
70.19644	1.8
71.01333	2.0
71.04623	2.1
71.04990	30.9
71.95253	2.0
72.04491	2.2
72.08133	2.4
73.02885	1.1
75.04478	9.4
76.93362	15.3
79.05489	6.5
81.02942	1.9
81.03407	33.3
81.07047	14.0
82.07366	3.0
83.04966	3.2
83.08579	1.6
84.04482	1.8
84.08117	1.6
85.02896	70.3
85.06534	13.8
85.08467	1.5
86.03226	1.2
86.06055	1.3
87.04436	2.6
91.05460	3.3
93.07021	1.2
94.94389	6.0
95.04971	8.0
95.08597	9.6
96.08130	1.3
96.08904	2.1
97.02898	2.9
97.06516	4.4
98.01288	2.4
98.05981	0.9
98.20763	1.1
98.97577	34.3
99.04446	39.2
99.06322	1.0
99.08076	2.1
99.97903	1.9
100.03943	1.9
100.07590	1.5
103.03927	10.0
103.05440	2.7
105.07026	2.7
109.02866	67.8
110.03163	1.6
112.95471	1.5
113.02364	11.9
113.05994	100.0
113.07928	3.8
114.05535	1.6
114.06461	1.2
114.09128	4.0
115.03906	0.9
115.05448	1.7
116.06187	1.3
116.98608	47.7
117.01855	2.5
117.05476	33.9
117.07006	2.9
117.95969	15.9
117.98930	4.6
118.06528	2.0
118.96741	8.9
119.01910	2.2
123.04385	4.0
123.05212	0.9
123.08035	4.1
124.08386	1.4
126.00762	1.5
127.00231	1.5
127.03911	9.5
129.06992	1.6
130.06517	2.0
131.04901	5.1
131.08560	7.0
132.08054	6.8
133.01520	1.1
134.99644	69.1
135.96999	14.1
136.00005	6.4
137.00136	1.4
140.00177	2.0
141.01807	32.7
141.05455	32.6
141.06412	0.7
141.09102	3.1
142.02095	1.2
142.03510	1.4
142.08597	2.7
144.09294	1.2
153.00682	17.6
153.04927	2.6
153.96664	2.2
154.01053	2.0
154.96442	3.0
158.01266	4.5
158.55139	1.7
158.98523	1.5
158.99652	3.4
159.02917	3.7
159.04483	2.8
159.06566	11.6
159.08020	3.8
159.09158	6.6
159.10085	4.9
159.11690	10.5
159.15775	1.4
160.00650	1.6
160.04047	1.4
160.07568	9.0
160.09642	2.9
160.10941	1.0
161.04865	1.3
162.05402	3.7
173.04823	2.5
176.02272	1.3
177.00697	5.9
177.98070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55543	0.5
53.03944	8.7
54.93695	0.5
55.01880	0.8
55.05505	11.7
56.96552	0.6
57.03431	1.9
57.07066	1.5
59.04994	1.4
61.27781	0.5
67.05504	2.6
67.37371	0.5
69.03423	74.8
69.07061	24.4
70.03767	1.3
70.06580	1.5
71.01347	0.6
71.04980	1.6
71.81096	0.9
73.02905	18.7
74.93822	6.6
79.05496	2.1
81.07056	2.4
82.82368	0.6
83.01358	1.1
83.04967	4.3
83.08600	4.4
84.04501	0.9
85.02896	4.8
85.75564	0.6
86.09697	0.5
87.04461	0.9
92.94862	1.8
93.07046	3.4
95.04983	2.2
95.08596	2.7
97.02882	100.0
97.06506	3.8
97.10162	8.3
98.03250	2.1
98.06047	1.0
111.04437	3.4
111.08080	2.0
111.11717	7.0
112.06902	0.5
112.07577	3.8
115.03919	44.3
115.96428	6.6
116.04243	0.7
116.97179	1.3
121.10141	1.8
129.07019	2.4
130.06528	0.8
133.97435	3.5
134.99638	0.7
139.03886	2.5
139.07547	2.1
139.11179	3.9
142.07777	5.7
157.01414	0.6
157.04959	2.1
157.10155	4.5
157.12225	1.2
158.09656	5.4
158.15361	0.7
163.53473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38932	0.6
52.43073	0.5
56.96558	14.5
58.95407	2.5
71.31038	1.2
71.95253	1.3
76.92850	1.1
80.44972	0.6
83.04965	0.5
98.97572	100.0
99.97961	1.0
111.52225	0.6
116.98605	88.7
117.99062	4.7
119.01893	1.1
123.54491	0.7
134.99641	51.7
136.00101	6.5
140.00177	2.9
141.50246	1.8
153.00699	6.8
158.01225	3.3
158.09363	0.7
158.93243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22292	0.3
56.96555	12.8
70.77321	0.3
70.77660	0.8
71.95258	1.8
77.14465	0.3
78.39455	0.3
78.77287	0.3
96.50568	0.4
98.20705	0.3
98.97568	100.0
99.97916	0.7
105.51093	0.3
108.67637	0.3
110.53088	0.3
111.85520	0.3
116.98603	90.6
117.98978	0.6
132.49841	0.5
134.99637	51.5
136.00008	0.4
137.00073	0.3
140.00156	2.8
141.50290	0.6
141.96956	1.5
144.47156	0.4
145.75099	0.3
150.97511	0.3
153.00679	7.4
155.03824	0.3
158.01239	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	157.0494
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
52.71725	0.2
52.98547	0.2
53.00298	0.4
53.03924	0.3
55.01865	1.9
55.05489	0.4
56.38475	0.2
56.74308	0.2
57.03418	0.7
57.07070	0.4
61.02914	0.3
67.01851	0.3
67.05497	0.4
68.04617	0.2
69.03419	100.0
69.07056	0.8
69.68144	2.5
70.03741	2.0
70.06591	0.4
70.95871	0.2
71.01323	0.4
73.02892	0.5
74.93824	2.2
83.04964	0.6
85.02896	1.8
87.04452	0.5
92.94869	0.5
93.07073	0.5
95.04952	0.4
96.04460	0.2
97.02878	81.9
97.06495	0.5
98.03216	2.2
100.28027	0.2
111.04408	0.9
111.08052	0.5
112.07567	1.0
115.03910	3.6
115.96424	2.9
129.06999	1.1
133.97482	1.8
139.03937	0.6
140.07068	0.3
142.07762	1.7
157.01308	0.3
157.04948	10.4
157.10092	2.2
158.09581	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0494
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
53.03940	8.6
55.01870	0.6
55.05507	0.5
57.03420	1.8
62.43980	0.4
62.82064	0.5
69.03420	78.3
70.03752	1.5
70.09204	2.4
70.09627	1.2
71.48505	0.5
71.52486	0.5
73.02908	20.8
74.93823	1.4
76.66646	0.5
82.40425	0.4
85.02900	2.9
88.73309	0.5
97.02881	100.0
98.03207	2.4
111.09042	0.5
115.03917	38.8
116.04250	0.8
117.11919	0.5
142.07762	0.5
157.04994	3.6
157.06110	0.7
157.10091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0493
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
53.00297	0.7
53.03936	0.3
55.01868	0.4
55.05501	0.6
56.96545	0.2
65.76076	0.2
67.05501	0.4
69.03420	81.6
69.07047	1.2
69.66185	1.6
70.03749	1.5
70.06572	0.9
71.04971	0.2
73.02938	0.4
74.93819	2.4
79.05462	0.2
79.09685	0.2
81.07063	0.3
83.04965	0.6
83.08612	0.4
84.08137	0.3
85.02888	0.3
91.05476	0.2
92.94861	0.7
93.07026	0.4
94.06574	0.6
95.04971	0.4
96.04497	0.3
97.02879	100.0
97.06503	0.6
98.03203	2.2
98.97620	0.2
108.30791	0.2
111.04424	0.6
111.08085	0.7
111.11723	0.5
112.07615	1.1
115.03937	1.8
115.96420	2.4
121.10155	0.2
122.06008	0.5
128.06152	0.3
129.06993	0.8
133.97449	1.7
134.99664	0.2
139.03888	0.6
139.07510	0.3
139.11163	0.2
140.07027	0.8
141.06944	0.3
142.07751	1.6
157.04921	0.8
157.06349	0.2
157.07570	0.2
157.10092	1.6
158.08205	0.4
158.09610	1.5
158.15422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0494
Annotation	AC1NQXVG
Peak:m/z	Relative Intensity
51.02364	0.7
53.03938	2.5
53.25776	0.5
55.01846	2.5
55.05499	4.9
56.96547	1.1
57.03419	1.8
65.03928	2.1
67.05484	4.2
67.11536	0.5
68.02634	15.0
69.03036	0.9
69.03415	12.7
69.07058	4.3
69.88965	1.3
69.89392	2.1
70.06577	1.7
71.04978	1.4
72.93752	0.8
73.02895	2.9
73.06535	0.7
74.93811	7.1
77.03888	0.7
79.01839	8.2
79.05472	1.5
81.03389	1.0
81.07040	1.3
83.04963	63.8
83.08598	1.6
84.04510	0.8
84.05303	0.9
84.08114	1.4
85.02882	2.1
85.06532	1.2
87.04465	0.6
87.09995	1.0
89.03891	1.1
91.05459	0.7
92.94849	1.8
93.03368	1.6
93.07023	2.0
95.04946	10.2
95.05491	0.4
95.08600	2.1
96.05281	0.8
97.02874	17.4
97.06516	4.0
97.10117	0.5
98.06021	0.6
98.97543	1.1
99.08043	0.6
101.05994	1.2
105.04501	0.6
107.01305	0.9
111.04420	100.0
111.08055	2.3
112.04723	3.2
112.07585	2.2
115.03905	7.2
115.96422	9.6
116.04193	0.6
116.97215	1.5
116.98598	1.2
117.03354	1.1
121.02881	1.0
121.06450	0.7
125.02306	0.6
128.06212	0.5
129.06982	2.0
130.06496	4.2
130.96791	0.5
133.97444	7.6
134.99669	1.1
139.03871	46.0
139.07495	1.4
139.11150	1.0
140.04208	1.0
140.07008	1.1
140.10648	0.7
142.07791	2.5
150.96841	0.7
151.97021	1.2
157.04938	36.2
157.07565	7.3
157.08618	0.8
157.10109	1.8
157.12172	0.5
158.06157	2.5
158.08243	1.2
158.09605	8.1
158.11682	0.7
158.15329	1.0
171.88036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0493
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
53.03938	9.1
55.01855	0.8
55.05505	1.5
57.03428	1.7
65.03941	0.6
67.05485	0.8
69.03417	70.1
69.07055	5.1
69.90221	3.1
70.03750	0.7
70.06589	1.4
71.04974	0.6
73.02905	20.3
74.93816	4.0
79.46841	0.4
81.07021	0.4
83.04966	1.5
83.08590	0.7
84.08125	0.6
85.02895	4.4
87.04478	0.6
89.38349	0.4
92.94868	0.5
93.07029	1.0
95.04957	0.8
95.08575	0.8
97.02876	100.0
97.06512	0.8
97.10208	0.5
98.03218	2.7
98.05996	0.4
98.21330	0.9
101.81333	0.4
110.61451	0.5
111.04430	1.5
111.08038	0.7
111.11684	0.8
112.07584	1.7
115.03912	41.9
115.96420	4.0
116.04251	1.0
129.06985	1.0
133.05423	0.5
133.97484	2.2
139.03893	1.2
139.07486	0.6
139.11198	1.3
140.07127	0.5
142.07819	2.3
156.99153	0.5
157.04909	2.0
157.07619	0.6
157.10104	1.6
158.09624	4.0
158.15395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0766
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01868	1.3
55.05513	0.6
56.05027	0.5
56.96557	21.0
57.03427	1.5
57.06511	0.2
58.06604	0.3
58.99871	0.3
59.04999	1.2
60.95850	0.5
61.02912	1.1
65.03931	0.6
67.01855	0.3
67.05496	1.1
67.51061	0.9
68.05022	0.8
68.99787	0.5
69.03432	2.3
70.06595	0.5
70.19032	0.8
70.19453	0.5
70.95865	0.4
71.04987	0.4
72.08141	0.4
72.93795	0.5
73.02907	2.0
74.09709	0.6
74.97601	0.6
75.01044	0.7
76.51571	0.6
77.00863	0.3
78.52954	0.5
80.87708	0.2
81.03427	0.3
81.04539	0.6
82.01446	0.8
82.05311	2.0
82.06569	0.6
82.99831	0.2
83.00785	1.4
83.04979	2.4
83.06093	8.5
84.01567	1.5
84.04500	0.5
84.96029	0.9
85.02883	2.1
85.07639	0.5
86.51804	0.5
88.02366	0.3
89.00777	1.0
90.01544	0.5
91.00488	0.5
92.00808	0.2
92.01262	1.2
92.52695	0.4
93.02074	0.8
93.03393	0.7
93.04514	5.9
94.51563	0.4
95.01335	0.7
95.04955	0.7
95.06081	7.2
95.52332	0.4
96.01553	0.6
96.04453	0.2
97.02874	0.9
97.99169	3.3
98.01278	1.1
98.09676	0.4
98.97560	3.0
99.02048	0.3
99.04430	0.7
100.01040	0.3
100.02467	2.8
100.51579	0.4
101.00868	3.9
101.02547	1.3
101.52407	0.4
101.53189	0.4
101.99711	0.3
102.00937	0.3
102.01529	1.3
102.02247	1.3
102.51289	0.5
103.00509	0.8
103.02299	1.2
103.52064	0.8
104.01284	0.7
105.02069	0.7
107.01775	0.3
108.24512	0.2
109.02861	0.6
109.52030	0.3
110.01309	0.3
110.07148	100.0
110.97523	0.3
111.00233	1.9
111.02042	4.8
111.04425	1.7
111.05573	0.6
111.06822	0.4
111.07471	2.0
112.01028	1.5
112.02844	0.5
112.07591	1.1
112.99155	0.4
113.01716	0.5
113.02402	0.5
113.31873	0.2
113.52326	0.8
114.04008	0.3
114.53102	0.4
115.02374	0.3
115.52052	0.4
116.00203	1.7
116.01280	0.7
116.98592	2.1
117.02055	0.8
118.03526	1.5
119.01900	23.3
119.03629	0.8
120.00768	1.2
120.01959	0.7
120.02645	3.6
120.03308	0.4
121.01553	3.2
122.02391	0.3
122.51028	0.6
122.52848	2.4
123.01160	0.3
123.51833	0.3
123.53590	0.5
124.02463	0.9
124.03667	1.4
124.52611	0.6
124.99935	0.3
125.01788	1.4
125.07079	1.2
126.02457	0.3
127.03909	0.5
128.02286	0.4
128.98564	0.4
131.00154	1.3
131.01927	0.3
131.51537	0.3
131.53345	1.7
132.02017	0.7
132.05032	0.5
132.95836	0.9
133.01636	1.5
133.03450	2.5
133.05103	0.3
133.53076	0.3
134.00423	0.4
134.01372	0.3
134.02303	1.1
134.03468	0.3
134.99625	1.5
137.02939	8.1
138.03056	0.7
138.05443	0.4
139.03877	0.7
139.08673	0.5
140.07069	0.3
142.03479	13.3
143.00125	0.8
143.03650	0.9
144.03151	1.1
144.98073	0.9
145.01614	0.2
146.99629	0.7
149.01192	2.7
150.96838	1.6
151.04506	0.9
156.04198	1.5
156.06537	0.9
156.07660	13.7
156.10222	1.0
156.14966	0.2
157.09694	0.5
158.99635	0.7
160.04536	4.6
160.97523	0.5
161.01201	0.9
161.02925	0.3
161.04607	0.3
162.99173	1.7
165.05078	0.4
167.02214	1.0
169.01674	0.3
174.06102	0.4
174.99146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03938	1.2
53.14491	0.6
53.47877	0.6
53.50941	0.6
55.01871	0.7
55.05501	3.6
57.03436	2.0
57.07064	100.0
58.07397	2.0
59.04980	1.2
60.81413	0.6
65.03930	5.1
67.05496	10.2
69.03406	1.4
69.07048	3.4
69.48627	6.9
69.73237	0.6
69.96194	1.0
70.11560	0.6
70.95853	5.2
71.04988	2.9
72.93777	43.6
73.93818	0.9
79.05495	2.7
79.62430	0.6
81.03410	0.9
81.07046	10.3
82.06150	0.6
82.06538	3.3
83.04967	3.0
83.08631	1.2
84.04501	1.0
84.08181	0.6
85.02920	1.0
85.06529	17.4
88.96917	1.8
90.94812	10.1
91.05470	1.0
93.03405	2.7
93.07012	1.7
95.04945	8.3
95.08590	8.6
97.06524	2.4
97.10131	0.7
98.98471	0.8
99.04450	2.2
99.08098	0.8
108.95870	1.7
109.02862	1.4
109.06505	14.1
109.10143	10.0
110.02384	1.0
110.06068	3.6
110.07147	1.4
111.04425	13.1
111.98478	3.1
113.06007	2.4
113.96382	27.2
119.08669	0.7
123.04393	3.9
127.03911	1.2
127.07560	2.3
127.11191	0.7
129.99512	1.8
131.96358	1.4
131.97415	24.6
132.95802	7.1
132.97556	0.9
137.02341	2.8
137.05948	5.9
137.09627	2.8
137.13272	1.3
138.01892	0.8
138.05469	1.2
138.09132	0.6
140.04723	1.2
141.06982	0.7
149.97234	2.2
150.96870	16.3
150.98015	0.8
154.99083	1.5
155.03374	3.4
155.07019	8.5
155.08101	0.7
155.09030	1.3
155.10681	1.5
155.14273	8.7
155.15323	0.8
155.97417	1.0
156.06555	2.5
173.98543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.03934	1.7
55.01879	1.0
55.05503	16.4
57.03415	2.4
57.06806	1.2
57.07071	18.2
59.04993	1.0
65.03934	1.0
67.05494	19.4
68.05042	1.0
69.03417	1.8
69.07059	29.5
69.07441	1.5
70.95855	5.4
71.04987	4.2
71.08614	2.5
72.59869	0.8
72.93780	54.9
73.02890	1.0
73.06538	2.5
73.93833	1.8
79.05493	5.0
81.07046	100.0
82.06563	3.9
82.07370	3.5
83.04977	5.5
83.08605	3.3
85.06529	8.2
86.06077	0.8
88.96836	1.1
90.94813	11.7
91.05465	1.5
91.86370	0.8
93.07022	2.5
95.04959	7.1
95.08593	76.3
96.04486	0.9
96.08917	3.1
97.06536	1.8
97.10161	3.2
98.21539	1.6
98.98453	1.0
99.04421	2.4
99.08071	3.0
108.95863	2.0
109.02850	1.4
109.06486	2.1
109.10137	10.6
110.02419	1.5
110.06023	4.8
110.07158	2.3
111.04428	3.5
111.08055	1.9
111.11697	9.0
113.05286	1.4
113.05997	11.6
113.96388	33.9
120.04465	1.0
123.04396	1.8
127.03906	1.7
127.07565	2.6
128.07011	1.2
129.99492	1.8
131.97418	27.9
132.95793	6.2
137.05951	1.3
137.09595	1.0
137.13234	27.8
138.01862	1.9
138.05452	2.1
149.71384	0.9
149.97244	1.7
150.96848	13.0
154.98990	3.0
155.03343	3.4
155.07036	9.7
155.08231	1.4
155.10628	1.0
155.14288	4.1
156.06537	3.0
156.10223	1.7
173.98460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01860	1.6
55.05508	4.9
57.03432	3.3
57.03689	0.6
57.07067	100.0
58.07401	1.6
59.04999	1.2
65.03944	1.5
66.44540	0.6
67.05493	12.9
69.03422	8.8
69.07054	4.6
69.54969	7.4
70.95853	9.5
71.01343	1.9
71.04985	7.5
71.08606	0.8
72.93780	68.7
73.93814	1.1
79.05492	3.7
81.03429	1.7
81.07049	17.2
82.06572	3.1
83.04981	3.3
83.08620	0.8
85.02888	1.3
85.06533	16.4
86.06066	0.7
88.96904	2.2
90.94818	15.5
91.05479	2.1
93.07030	2.2
95.04949	10.0
95.08589	14.9
97.06532	2.1
98.98425	0.8
99.04424	3.5
99.08090	1.6
103.88573	0.6
107.08600	0.7
108.95867	1.4
109.06514	6.8
109.10139	14.1
110.06025	2.7
110.07188	1.9
110.10442	1.1
111.04423	3.4
111.08057	5.8
111.98442	4.2
113.05994	4.0
113.96387	40.5
114.96621	0.7
116.45193	0.7
119.08578	1.2
122.07346	1.0
123.04429	2.9
127.03934	1.8
127.07562	1.8
128.07085	1.0
129.99515	2.7
131.97423	40.0
132.95827	10.1
132.97714	0.9
137.02327	2.5
137.05984	2.7
137.09599	8.8
137.13344	0.9
138.01820	1.0
138.05482	2.0
140.04675	1.9
149.97150	1.4
150.96867	24.2
154.99002	2.4
155.03458	3.8
155.07014	45.9
155.10602	5.2
155.14301	10.0
155.97421	2.0
156.06357	1.0
156.07466	2.4
156.10243	1.6
156.14639	0.8
168.97939	1.3
173.98468	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	155.07
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
53.03944	2.7
54.99294	0.6
55.01860	3.5
55.05507	3.6
57.03420	3.1
57.07064	0.7
65.03932	3.6
67.05495	21.5
68.05785	0.7
68.99783	3.4
69.03449	1.3
69.07043	1.2
69.77670	4.8
70.95863	5.6
71.04984	3.9
72.93781	36.6
73.02879	0.6
74.37971	0.5
79.05483	20.2
80.05830	0.9
80.46915	0.5
81.03407	1.2
81.07045	100.0
82.06571	1.4
82.07385	3.0
83.04968	6.5
85.02895	2.5
85.06526	7.0
86.09695	3.0
88.85562	0.6
88.96899	0.9
90.94804	6.8
90.95280	0.8
91.05467	27.3
92.05795	0.7
93.07031	20.0
94.07360	0.6
95.04958	12.6
95.06010	0.5
95.08582	5.4
95.27175	0.6
97.06496	2.8
98.98464	0.7
99.04446	2.2
108.95840	1.3
109.02834	0.8
109.06505	93.6
109.10143	6.8
110.06023	1.8
110.06873	2.9
111.04427	14.9
111.08058	1.7
111.98463	2.4
113.05996	2.4
113.96383	22.0
119.04926	19.3
123.04418	5.9
125.02289	0.6
127.03886	2.3
127.07516	7.0
128.07054	0.9
129.05482	1.4
129.99496	1.4
131.97417	18.2
132.95804	6.6
137.02374	1.2
137.05962	72.5
137.09576	4.0
138.06331	3.2
140.04659	5.3
142.29669	0.6
149.97202	1.2
150.96870	15.1
154.99022	1.5
155.03403	3.4
155.07018	11.7
155.08160	1.1
155.10585	1.3
155.97374	0.9
156.06476	1.2
168.97881	0.8
173.98454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.03938	1.4
54.39173	0.6
55.01874	0.8
55.05505	17.1
55.93517	1.0
57.03417	2.3
57.07068	21.4
58.07399	0.8
59.04985	1.7
61.60478	0.7
65.03922	2.6
67.05496	22.2
68.05816	0.9
69.03426	1.7
69.07059	33.7
70.07375	0.7
70.95852	3.0
71.04980	4.6
71.08630	3.6
71.81853	0.9
72.93780	49.6
73.02898	0.9
73.06541	2.2
79.05479	6.3
79.81123	0.9
81.03396	1.0
81.07044	100.0
82.06580	3.9
82.07384	3.2
83.04980	2.9
83.08598	3.3
84.04502	1.0
85.02895	0.7
85.06525	8.2
86.06065	0.8
88.96915	0.8
90.94815	9.7
91.05466	2.0
93.07042	3.8
95.04958	6.4
95.08591	92.3
96.08929	3.0
97.06541	0.9
97.10159	2.8
98.98448	1.3
99.04446	1.6
99.08096	2.6
108.95848	1.3
109.02859	1.1
109.06507	4.3
109.10139	9.9
110.02386	1.4
110.06043	3.8
110.07151	2.9
111.04433	4.4
111.08113	1.2
111.11707	10.6
111.98448	2.0
113.05995	9.6
113.96386	31.7
114.05534	0.8
120.04418	0.9
123.04418	1.3
127.03922	2.2
127.07536	1.1
127.11171	0.9
128.07076	1.2
129.99481	1.2
131.97417	27.7
132.95830	3.1
132.97603	0.9
137.06001	2.2
137.07008	1.0
137.09683	1.6
137.13234	27.6
138.05525	2.1
138.13591	2.2
140.04689	0.8
149.97211	2.1
150.96872	10.1
152.43275	0.8
154.99019	3.2
155.03384	4.7
155.07045	8.6
155.08350	1.9
155.10686	1.3
155.14282	4.7
156.06543	2.8
156.10217	1.2
173.98465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0497
Annotation	5-Aminosalicylic Acid
Peak:m/z	Relative Intensity
53.03941	0.4
55.01854	0.1
55.05490	0.4
56.96556	3.1
57.03406	0.1
59.04973	0.2
65.03916	0.6
65.46388	0.1
67.05481	0.4
68.96309	0.4
69.03402	0.6
69.96149	0.2
70.49177	0.5
70.94247	0.2
71.94087	0.6
71.95245	1.5
72.93776	3.0
73.02893	0.2
73.06548	0.2
79.05479	0.2
79.57236	0.1
80.04996	0.9
81.03386	0.3
81.07029	0.3
83.04949	0.3
84.04491	0.3
84.08112	0.3
85.02905	0.2
86.97321	0.1
87.04453	0.4
90.94798	0.6
92.04990	7.7
93.03400	0.4
93.05332	0.3
95.01307	0.5
95.04965	0.2
96.01519	0.4
97.02881	0.3
97.99168	0.3
98.97559	0.4
99.04405	0.2
108.04459	2.6
108.08102	0.2
109.02845	0.5
109.06502	0.3
110.01236	0.2
110.06040	0.4
111.02007	0.2
111.04452	0.8
112.05029	0.5
112.96685	0.4
112.99098	0.2
113.96384	2.0
116.98610	0.2
119.01778	0.5
119.97312	0.4
126.05515	0.5
126.09116	0.3
127.03880	0.5
128.97835	0.5
130.52586	0.3
130.96288	0.4
131.00136	0.3
131.96147	0.5
131.97412	1.7
136.02910	0.3
136.03896	1.9
136.04716	0.2
136.07578	1.4
137.02359	1.0
137.98303	1.1
138.01820	0.2
140.48563	0.2
148.97391	0.9
149.01204	0.6
149.97182	1.3
154.04965	100.0
154.90677	0.2
155.03413	0.3
155.05295	2.6
155.06998	0.4
156.05370	0.2
158.99609	0.3
165.04227	0.1
167.02217	0.2
172.95197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00287	1.4
53.03930	2.8
55.01865	1.5
55.05505	16.7
55.75994	0.8
57.03436	1.7
57.07057	3.0
59.04997	8.7
62.51476	0.8
65.03921	3.8
67.01851	2.4
67.05496	8.1
68.99799	1.4
69.03417	5.2
69.07061	21.3
69.60185	6.9
70.94250	2.1
70.95868	1.7
71.04984	41.9
71.94097	1.3
73.06548	21.0
79.05041	1.4
79.05485	27.1
81.07047	100.0
82.07362	2.5
83.04962	4.8
83.08618	4.3
85.06516	1.8
87.04448	1.2
91.05472	7.3
93.03372	1.7
93.07035	47.1
94.07334	1.3
95.04953	6.2
95.08023	1.3
95.08594	16.7
97.02840	1.2
97.05969	1.0
97.06524	11.0
105.07013	2.5
107.04919	1.5
107.08578	45.9
108.08223	0.9
108.08928	0.9
109.06514	4.9
109.10136	13.2
111.04423	7.0
111.08054	5.4
112.96671	1.2
121.06489	0.8
125.05964	3.5
125.09632	1.2
129.97873	1.1
135.04413	1.6
135.08052	2.1
135.11678	39.3
136.03923	2.0
136.07587	2.6
136.12090	1.1
139.85126	0.8
149.21609	1.0
153.01814	36.5
153.05461	3.1
153.06586	1.8
153.09099	6.2
153.10179	1.1
153.12726	26.5
154.02180	1.6
154.04955	1.9
154.08540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00306	2.3
53.03937	2.7
55.01872	1.4
55.05504	15.2
56.96559	1.1
57.03421	1.9
57.07054	1.5
59.04994	8.8
61.64133	0.8
65.03925	6.2
67.05495	8.2
68.05033	1.1
69.03425	3.9
69.07063	15.2
69.52080	2.2
69.52484	9.1
70.94242	4.8
70.95850	1.7
71.04984	40.3
71.94096	3.4
73.06546	25.3
79.05486	26.0
81.07047	100.0
82.07384	1.8
83.04972	6.8
83.08615	3.2
85.06528	1.1
91.05459	10.0
93.03381	1.9
93.07033	46.9
94.07356	1.9
95.04948	6.0
95.08591	11.5
96.56516	0.9
97.06508	11.0
105.07032	2.0
107.04972	3.3
107.08582	40.2
108.08913	1.8
109.06505	3.5
109.10150	10.4
111.04443	9.4
111.08070	4.1
111.96857	2.6
112.96667	1.8
119.08612	1.3
125.06008	5.1
125.06879	0.9
125.09620	1.5
129.97888	2.7
130.97763	2.2
135.04399	2.4
135.08063	2.1
135.11681	37.6
136.03931	4.4
136.07538	5.4
136.12032	2.1
147.62608	1.0
153.01854	4.9
153.05464	5.4
153.06624	2.7
153.09081	7.5
153.12735	23.1
154.04893	5.4
154.08595	1.7
169.38870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.1
55.05496	4.4
57.03426	1.8
57.07074	0.7
59.04987	1.3
65.03935	2.5
67.05494	10.8
67.12112	0.4
69.03411	1.7
69.07058	9.4
70.02572	1.7
70.02985	1.1
71.04975	2.6
71.94101	0.7
73.06532	0.5
79.05481	8.3
81.07042	11.6
81.36658	0.5
83.04966	6.1
83.08604	2.5
85.06512	0.5
91.05466	6.7
93.03403	1.1
93.07030	68.4
94.07357	2.0
95.04955	3.5
95.08591	58.3
96.08923	1.2
96.69798	0.4
97.06513	11.6
102.54848	0.4
105.06996	2.5
107.04962	1.0
107.08578	100.0
108.08926	2.9
109.06488	2.5
109.10138	14.2
111.04429	13.4
111.08064	2.6
112.71416	0.5
117.88255	0.4
123.04402	0.5
125.05941	2.2
135.04382	0.7
135.08041	1.9
135.11670	47.8
136.03986	0.6
136.07555	1.1
136.12003	1.2
148.37410	0.5
153.01836	0.8
153.05438	1.8
153.09114	3.0
153.12720	23.9
154.05000	1.1
154.13020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03943	0.7
55.01866	0.8
55.05509	2.7
57.03422	1.1
57.07081	0.6
59.04997	0.6
65.03934	4.2
67.05502	4.3
69.03410	1.1
69.07059	7.7
69.94388	2.7
70.94254	1.6
70.95853	0.7
71.04986	0.9
71.48925	0.4
71.94090	2.1
79.05483	5.8
79.20473	0.4
81.07047	5.5
83.04978	3.2
83.08617	1.1
85.06533	0.3
87.04452	0.6
88.66348	0.3
88.95276	0.5
91.05479	2.7
93.03400	2.0
93.07030	15.3
95.04955	7.8
95.08595	12.9
95.09204	0.9
97.06520	5.3
105.06999	1.2
107.04952	1.7
107.08582	24.6
108.08922	0.7
109.06519	2.4
109.10133	8.1
111.04427	100.0
111.08039	2.5
111.96856	0.9
112.04751	2.7
112.96712	0.9
120.36755	0.4
121.03971	0.7
125.05974	2.3
125.09634	0.7
129.97902	0.8
135.04395	5.7
135.08052	1.2
135.10632	0.6
135.11670	10.5
136.03917	0.7
136.07579	1.2
140.79872	0.4
148.97371	0.6
153.01804	2.6
153.05457	2.3
153.06564	0.7
153.09096	9.6
153.12720	13.9
154.04967	1.8
154.08548	0.6
154.13116	0.5
166.49579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03931	1.7
54.65421	0.7
55.01866	1.6
55.05498	7.7
57.03420	4.4
57.07057	2.2
59.04987	1.2
59.92896	0.7
65.03913	2.9
67.05492	23.0
68.05012	1.0
69.03404	4.6
69.07056	37.9
70.07396	1.1
70.94232	3.5
70.95840	1.8
71.04981	2.7
71.80464	1.0
71.94090	5.4
71.95251	1.2
79.05479	23.4
80.05009	1.4
81.07042	27.5
83.04959	9.0
83.08603	4.6
85.06525	2.0
86.06104	0.8
87.04443	2.3
88.95289	1.3
88.96897	1.6
90.92959	0.8
91.05453	4.0
93.03358	1.5
93.07027	41.6
94.07350	1.5
95.04952	4.8
95.08588	18.2
97.06510	21.4
105.06985	1.5
107.04929	3.2
107.08570	41.6
108.04473	1.8
108.08895	1.1
109.06448	1.9
109.10137	32.6
111.04447	9.1
111.08057	8.0
111.96830	2.2
112.96681	1.9
115.05511	0.8
125.05966	5.7
125.09629	1.8
126.05518	1.8
126.06325	1.1
129.97873	1.9
130.97685	1.5
135.04375	4.2
135.08060	2.2
135.11667	91.0
136.03911	3.4
136.07550	5.3
136.08548	0.7
136.11943	3.8
138.03117	0.8
138.06757	0.9
153.01900	1.8
153.05504	7.3
153.07596	4.6
153.09143	6.8
153.12715	100.0
154.04951	8.4
154.08588	3.1
154.13057	4.5
154.15829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03934	0.3
55.01870	1.1
55.05503	2.6
57.03440	0.5
59.04997	0.2
65.03929	4.1
65.55029	0.2
67.01839	0.2
67.05494	2.0
68.05019	0.3
68.99782	0.3
69.03413	1.3
69.07056	5.1
70.61515	0.7
70.94250	1.0
70.95848	0.7
71.04977	2.0
71.94095	0.7
71.97672	0.2
78.43253	0.2
79.05483	4.0
81.03410	0.4
81.07027	1.5
83.01311	0.3
83.04964	2.3
83.08614	0.4
86.06059	0.2
87.04412	0.2
88.95275	0.3
91.05471	1.5
93.03387	2.2
93.07027	4.4
94.04146	0.6
95.04950	3.1
95.08578	2.1
97.02880	0.4
97.06515	2.1
98.03645	0.3
105.07018	0.5
107.04933	3.0
107.08574	5.3
109.06499	2.5
109.10142	1.9
111.04427	4.8
111.08070	1.4
111.96860	0.5
112.96684	0.2
117.07008	0.3
121.02848	100.0
122.03186	3.1
125.06001	1.4
125.09640	0.5
129.97881	0.6
135.04416	1.7
135.08041	2.4
135.11676	2.4
136.03912	0.5
136.07542	0.6
139.03931	0.2
143.08342	0.2
148.97292	0.2
153.01816	6.1
153.05443	9.3
153.06516	0.5
153.09084	2.1
153.12720	2.8
153.13858	0.3
154.02159	0.3
154.04797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28790	0.3
52.69893	0.3
53.03929	0.8
55.01857	2.2
55.05505	3.0
56.96553	0.6
57.03417	1.4
59.04977	1.4
65.03583	0.4
65.03928	8.0
67.01856	5.6
67.05490	4.3
68.05007	1.3
68.96322	2.5
68.99776	4.4
69.03057	0.5
69.03415	10.0
69.06709	0.4
69.07057	5.7
70.06572	0.3
70.62824	0.3
70.94250	4.1
70.95848	3.6
71.04958	1.2
71.77814	0.4
71.78235	0.4
71.94073	0.8
71.95242	0.4
79.01801	0.5
79.05477	9.1
80.04990	1.2
80.05800	0.5
81.03394	2.0
81.07044	3.3
82.06555	0.6
83.01331	1.5
83.04966	6.5
83.08594	1.0
84.04489	0.4
84.08122	0.5
85.02872	0.8
85.06506	0.4
86.97355	1.2
87.04457	1.6
88.95266	1.3
88.96890	1.6
90.88435	0.3
91.05470	3.1
93.03396	2.4
93.07030	8.9
94.06544	0.7
94.07351	0.5
95.04955	6.0
95.08590	5.4
97.02878	3.5
97.06515	13.8
97.10143	0.6
105.06996	0.6
106.96320	0.5
106.97903	0.9
107.04932	8.7
107.06040	0.4
107.08577	9.9
108.04453	0.9
108.05250	0.3
108.08086	0.7
109.02808	0.6
109.06516	2.4
109.10143	5.9
109.98912	1.3
110.03645	1.2
110.06033	0.5
111.00768	0.7
111.04421	21.3
111.08054	4.2
111.96853	2.3
111.98470	1.0
112.03997	0.4
112.04752	0.7
112.07536	0.5
113.96354	0.3
117.07034	0.5
118.06536	0.6
121.02844	0.7
123.04410	0.4
124.07561	0.4
125.02335	1.2
125.05975	10.9
125.06945	0.7
125.07919	1.3
125.09576	1.8
126.05494	1.1
126.09103	1.1
127.03926	0.4
127.99961	0.8
129.97897	2.6
129.99469	0.8
130.96300	2.0
130.97681	0.4
135.04385	4.3
135.05412	0.5
135.06435	0.4
135.08043	3.2
135.09015	0.6
135.11670	4.6
136.03900	3.8
136.07562	5.2
137.02345	0.3
138.06841	0.3
148.97331	7.0
153.01802	100.0
153.05452	7.7
153.06584	3.6
153.09076	5.0
153.10187	0.7
153.12715	8.9
153.13715	0.3
153.97868	0.6
154.02188	3.9
154.04955	13.2
154.08583	2.7
171.02849	1.9
171.98947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
53.03939	0.4
54.14289	0.3
55.01857	1.5
55.05502	3.8
56.66205	0.3
57.03417	0.6
57.07058	0.6
59.04970	0.6
65.03924	1.6
67.01855	5.2
67.05494	2.5
68.99770	3.6
69.03043	0.5
69.03416	7.8
69.06688	0.3
69.07053	6.3
70.73894	1.1
70.94262	1.7
70.95839	0.9
71.04968	1.2
71.94073	0.9
73.00909	0.3
79.01830	0.8
79.05475	4.0
81.03384	1.1
81.07039	2.8
82.06585	0.4
83.01321	2.1
83.04967	3.6
83.08614	0.5
85.02888	0.7
85.06547	0.4
87.04458	0.5
88.96879	0.5
91.05461	1.7
93.03381	1.2
93.07030	6.7
94.06580	0.3
95.04961	3.6
95.08590	2.4
97.02876	3.0
97.06511	4.3
98.21366	0.4
105.07012	0.7
107.04928	1.9
107.08575	6.8
108.04456	0.3
109.06476	1.4
109.10136	2.4
110.03648	0.5
111.00785	0.6
111.04427	6.4
111.08064	2.4
111.96827	0.9
112.96674	0.7
117.07006	0.6
117.62575	0.3
125.02337	0.6
125.05973	2.3
125.09592	0.9
128.27684	0.3
129.97891	1.1
135.04405	1.1
135.08023	2.8
135.11650	2.6
136.03922	1.0
136.07561	1.2
146.70526	0.3
153.01799	100.0
153.06575	1.1
153.09050	3.0
153.10144	0.5
153.12715	4.4
153.13864	0.6
154.02159	3.5
154.04939	1.9
154.08551	0.3
171.02815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01870	1.0
55.05484	0.7
57.03411	0.6
57.07049	0.2
59.04972	1.0
65.03921	0.8
67.01504	0.3
67.01853	5.1
67.05477	0.8
68.99416	0.2
68.99780	3.8
69.03061	0.3
69.03419	5.9
69.07064	1.4
70.94236	0.3
71.78589	0.2
71.78950	0.3
71.94096	0.3
79.01838	0.6
79.05486	1.4
81.03399	0.6
81.07064	1.3
83.01324	1.3
83.04973	1.1
83.08583	0.3
91.05464	0.7
91.48574	0.2
93.03379	0.4
93.07034	4.3
95.04947	3.1
95.08596	3.9
95.94743	0.2
97.02890	2.5
97.06528	1.4
107.04922	0.4
107.08578	6.4
109.06494	0.8
109.10128	1.8
110.03680	0.3
111.00792	0.6
111.04419	5.7
111.08052	0.6
114.89294	0.2
121.02852	0.6
125.02363	0.3
125.05967	0.8
129.97844	0.3
135.00740	0.2
135.04375	0.5
135.08032	0.5
135.11676	2.9
136.03896	0.5
136.07506	0.2
145.95328	0.2
153.01802	100.0
153.09099	0.7
153.12727	4.1
154.02145	3.6
154.04948	0.7
171.02853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03931	0.6
55.05499	5.6
57.07071	0.9
60.54877	0.3
65.03927	1.5
67.05493	80.3
68.05833	2.8
69.07050	4.6
71.08612	0.6
79.05488	3.6
81.03439	0.3
81.07044	44.8
82.07390	1.8
83.08601	1.1
87.08017	0.3
89.06022	0.5
91.05472	2.3
93.07036	5.0
95.01315	0.8
95.04976	1.6
95.08591	100.0
96.08922	4.2
103.27556	0.3
105.06999	2.1
106.06526	0.8
107.04924	0.4
107.08582	2.5
109.06512	1.9
109.10139	52.5
110.10453	2.5
111.02009	0.4
115.58267	0.3
116.98679	0.3
119.01830	0.4
119.04903	0.4
121.10149	0.3
123.04430	1.0
123.08030	1.6
123.11674	1.3
124.03956	0.4
124.07553	1.0
124.08344	0.3
133.10159	1.6
134.05986	0.4
151.02776	0.8
151.03900	1.2
151.07518	2.0
151.08595	0.6
151.11176	2.9
151.14798	13.0
152.01645	1.6
152.03380	2.3
152.07059	2.6
152.08101	0.5
152.10551	0.4
152.15143	0.9
165.37256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03933	6.6
55.01851	7.4
55.05502	100.0
57.03432	9.5
57.07063	2.6
59.04982	5.9
65.03920	7.1
67.01845	4.6
67.05495	54.7
68.05814	2.0
68.99781	5.0
69.03408	6.3
69.07051	4.5
69.46485	21.2
71.04967	5.5
77.03928	2.1
77.40616	1.8
79.05480	30.3
81.03405	6.0
81.07043	89.4
82.06579	1.9
83.04969	2.2
85.06516	2.2
91.05469	69.1
93.07030	55.9
95.01301	7.7
95.04956	42.1
95.08597	27.3
96.05744	2.1
96.08125	2.9
97.06514	14.9
98.97570	2.5
100.42306	1.8
105.03395	3.1
105.04466	1.9
105.07015	73.2
106.06555	5.4
106.07324	2.0
107.04937	6.3
107.08572	62.7
108.02078	7.7
109.06505	37.4
109.10143	50.2
111.04419	4.7
119.04924	6.0
121.10103	4.3
123.04416	81.3
123.08047	24.9
123.11685	26.1
124.04768	5.6
124.07588	4.5
128.02319	2.6
131.08586	3.7
133.06467	6.7
133.10109	48.6
134.06026	4.9
134.10475	2.1
141.05482	6.9
151.03896	95.6
151.04987	9.8
151.07550	22.4
151.08623	3.9
151.11162	72.8
151.12109	3.5
151.97420	2.1
152.01607	9.7
152.03397	7.2
152.04401	4.3
152.06989	13.6
152.10579	2.7
152.11629	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	151.1115
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03939	1.5
55.05506	4.8
56.65913	0.7
57.07066	7.5
59.04981	2.1
62.77058	0.8
65.03933	0.9
67.05496	19.0
69.03423	0.8
69.07041	4.6
79.05477	11.1
81.03409	0.8
81.07042	100.0
82.07387	2.5
83.05005	0.7
88.61025	0.8
89.06025	1.9
89.93398	0.7
91.05462	15.1
93.07027	10.1
95.01321	0.9
95.04948	7.4
95.08592	20.4
98.20656	1.7
99.13770	0.7
99.51230	0.7
100.09192	0.7
105.07014	30.8
106.07344	1.5
107.08575	18.4
109.06501	18.1
109.10135	26.7
121.07597	0.7
121.10106	7.9
121.60040	0.7
123.04409	1.2
123.08068	5.7
123.11687	64.9
124.07580	1.0
124.12041	3.1
131.08565	2.1
133.10109	43.3
134.05960	1.1
134.10458	1.5
136.08833	1.1
151.02829	1.3
151.03905	2.1
151.07509	2.3
151.11159	38.0
152.01672	2.2
152.03407	1.9
152.07047	3.2
152.11560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03930	1.2
55.05504	5.4
57.07071	6.8
59.05004	1.2
60.10171	0.7
65.03950	1.1
66.99530	0.8
67.05500	17.5
69.03434	0.8
69.07074	4.2
70.53706	1.6
70.54103	2.0
71.04993	0.7
72.13866	0.7
79.05495	10.1
80.16963	0.8
81.07050	100.0
82.07388	3.1
89.06030	2.4
91.05474	12.6
93.07040	8.0
95.04964	7.0
95.08601	19.2
95.99742	0.8
96.08896	1.0
103.05457	1.0
105.07023	30.9
106.07353	1.7
107.04923	0.9
107.08582	15.4
109.06505	20.2
109.07206	1.4
109.10147	29.1
110.06838	0.7
121.10149	6.2
122.10465	0.7
123.08087	5.4
123.11697	68.8
124.12054	3.3
131.08559	3.1
133.10118	44.3
134.10483	1.0
151.02798	0.9
151.03903	1.7
151.07503	2.0
151.08635	1.6
151.11169	38.2
152.01653	1.8
152.03395	2.5
152.07060	1.8
152.11546	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	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.01855	1.9
55.05492	2.6
63.05169	0.9
65.03932	26.4
67.05498	12.4
69.07052	6.0
69.74705	7.2
69.75121	1.7
79.05479	14.5
80.05775	1.1
81.07044	27.3
82.07436	1.2
83.08607	1.6
91.05445	4.9
93.03384	8.4
93.07030	27.0
94.07341	1.3
95.04932	2.2
95.08574	5.1
98.03648	1.9
98.20679	1.7
103.05434	1.2
105.07028	1.5
107.08581	20.4
108.04469	1.3
108.08082	1.1
108.21513	1.1
111.04422	6.2
121.02847	39.2
121.03959	7.2
121.06435	1.4
121.10102	6.5
122.03191	1.8
122.06007	1.9
132.87482	0.9
149.02324	100.0
149.05971	2.4
149.07048	1.3
149.09578	3.8
149.13243	20.4
150.02705	6.3
150.03729	1.7
150.05482	3.4
150.07639	1.2
150.09076	2.2
150.13617	1.5
158.89464	0.9
167.03339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
52.46925	1.8
53.03925	5.6
54.72520	1.7
55.05515	11.7
60.48138	1.8
65.03922	5.0
67.05482	6.7
69.07057	21.9
71.36279	4.3
79.05483	20.8
81.07046	28.9
91.05467	18.2
93.07030	100.0
94.07347	3.0
95.04939	4.6
95.08575	6.2
105.07008	10.1
107.08578	85.6
108.08899	3.4
119.08521	2.3
121.02842	5.2
121.10127	32.9
122.10418	2.1
123.08154	1.7
137.18269	1.8
138.75516	1.6
149.02357	11.9
149.05855	2.0
149.12106	3.7
149.13240	58.9
150.13600	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	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03928	1.8
55.05509	5.8
61.32773	1.1
65.03932	25.6
66.04253	1.2
67.05479	3.7
69.07059	11.4
70.07367	1.5
77.16442	1.0
79.05486	17.5
81.07042	24.7
83.08602	1.5
87.38226	1.1
90.18406	1.1
91.05475	12.8
93.03371	6.2
93.07031	67.2
94.07354	1.7
95.04972	2.7
95.08598	3.5
103.05428	1.0
105.06996	5.7
107.08575	41.9
108.08922	1.2
109.06494	2.0
111.04427	5.3
118.41500	1.3
121.02847	39.3
121.03957	6.3
121.06478	3.5
121.10120	20.9
122.03178	1.4
132.10252	1.1
149.02324	100.0
149.05974	2.1
149.07056	2.1
149.09619	7.2
149.13240	38.3
150.02664	7.1
150.03638	1.3
150.05428	1.4
150.07806	1.3
150.09041	1.6
150.13612	2.8
167.03410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0548
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03941	3.4
55.01867	1.0
56.96561	11.0
57.03438	2.0
58.14040	0.3
61.02906	1.4
65.03929	3.4
65.27699	0.4
66.04284	0.4
67.05498	20.2
69.03435	1.9
70.79472	1.0
70.79823	0.7
72.93777	0.5
73.02914	3.9
74.97598	0.8
77.00774	0.7
79.05479	2.4
81.01024	0.7
81.03403	1.9
81.07023	0.4
83.00770	1.2
84.04504	0.8
85.02901	2.9
86.04865	0.4
87.99960	0.6
88.51582	0.5
89.00777	0.8
89.06030	0.5
90.01543	2.0
91.05473	0.9
92.01291	0.8
93.05770	1.2
94.06557	54.2
95.00777	0.5
95.01358	0.7
95.04949	2.4
95.06905	1.1
96.01530	1.5
96.04489	1.4
97.00507	0.8
97.02332	0.5
97.02885	1.7
97.99166	1.1
98.01286	2.0
98.97572	7.3
99.02086	0.6
101.00762	1.4
102.97709	0.4
103.52086	0.6
104.01287	1.5
104.05026	0.4
105.02034	0.6
106.06541	14.8
107.01782	1.2
107.08604	0.5
108.02068	0.4
108.04458	0.4
109.02873	1.0
109.05184	0.6
109.52079	0.5
110.01267	6.4
110.97556	1.1
111.53653	0.6
112.07597	0.8
113.01811	1.0
115.52010	0.6
116.00204	0.4
116.01254	0.4
116.98599	4.3
119.01786	10.0
121.52037	0.8
122.03161	1.6
122.06015	31.8
123.04475	0.5
123.06318	0.9
123.07984	0.8
126.59500	0.5
127.03894	1.2
128.02304	11.5
128.98584	0.9
130.52539	1.4
133.02887	0.5
133.05077	2.0
134.99622	1.9
137.02808	4.0
139.53116	1.0
140.00192	0.5
142.03433	0.5
144.97964	0.4
146.99615	1.4
148.03937	1.1
150.02824	5.8
150.05489	100.0
150.07719	13.0
150.09061	1.8
150.12703	0.5
150.96846	0.7
151.03918	3.6
151.05826	3.3
151.07487	0.6
151.11189	0.6
158.01224	0.7
158.99602	0.8
168.06557	14.6
169.06853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03926	2.8
53.68383	0.8
55.01843	1.9
55.05492	1.8
65.03931	23.6
66.04256	1.6
67.05499	1.1
67.81155	0.7
69.03407	1.0
69.07060	1.0
69.66718	1.5
69.67130	4.9
79.05478	13.8
80.05003	0.9
81.07035	2.6
91.05465	13.1
93.03385	9.1
93.07035	28.9
94.06503	1.0
94.07368	1.2
94.44088	0.8
95.04937	5.3
98.03680	1.2
103.05457	5.4
105.03376	3.4
105.04475	1.2
105.07020	19.5
106.07792	2.7
107.04935	1.7
107.08608	4.6
108.08156	1.5
111.04426	6.2
116.06224	1.5
116.66512	0.9
119.08545	2.4
121.02848	41.3
121.03952	7.4
121.06483	4.5
121.10130	16.3
122.03202	1.8
122.06001	1.3
123.08028	2.5
129.07008	0.9
131.04913	2.4
131.08554	1.6
133.07542	1.2
149.02324	100.0
149.05983	7.4
149.09601	93.0
150.02637	8.7
150.03679	1.5
150.05486	2.5
150.08871	1.0
150.10049	7.5
158.25232	0.7
167.03325	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05492	2.6
63.05169	0.9
65.03932	26.4
67.05498	12.4
69.07052	6.0
69.74705	7.2
69.75121	1.7
79.05479	14.5
80.05775	1.1
81.07044	27.3
82.07436	1.2
83.08607	1.6
91.05445	4.9
93.03384	8.4
93.07030	27.0
94.07341	1.3
95.04932	2.2
95.08574	5.1
98.03648	1.9
98.20679	1.7
103.05434	1.2
105.07028	1.5
107.08581	20.4
108.04469	1.3
108.08082	1.1
108.21513	1.1
111.04422	6.2
121.02847	39.2
121.03959	7.2
121.06435	1.4
121.10102	6.5
122.03191	1.8
122.06007	1.9
132.87482	0.9
149.02324	100.0
149.05971	2.4
149.07048	1.3
149.09578	3.8
149.13243	20.4
150.02705	6.3
150.03729	1.7
150.05482	3.4
150.07639	1.2
150.09076	2.2
150.13617	1.5
158.89464	0.9
167.03339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05502	6.0
61.69338	1.2
67.05495	19.4
69.07050	5.4
79.05475	13.8
81.07047	14.0
82.06523	1.4
83.06895	1.4
91.05467	60.5
92.05778	2.7
93.06104	1.3
93.07031	9.4
95.04951	1.6
98.21471	3.2
105.07013	100.0
106.07359	5.3
107.08555	2.1
117.06989	6.7
119.04953	1.8
119.08562	57.8
120.08877	3.2
123.96478	1.5
132.09337	2.5
145.10101	3.4
147.11664	69.8
148.11990	4.5
162.72850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40041	1.0
55.05512	8.0
56.05831	0.9
64.92802	1.8
67.05488	4.1
67.43565	1.1
69.07050	2.0
69.95483	1.4
69.95888	5.3
79.05502	6.4
81.07056	3.3
82.06601	1.1
83.06902	3.1
84.04465	2.2
84.40592	1.1
87.14455	1.0
91.05473	32.1
91.06057	1.5
92.05807	2.1
93.07014	4.9
95.04944	1.2
101.07918	3.0
103.05458	2.3
105.07019	100.0
106.07330	5.0
107.08589	1.7
117.06993	4.6
119.04920	6.5
119.08570	50.8
120.08886	4.6
123.96445	3.6
132.09323	2.2
145.10088	3.3
147.04385	5.3
147.05530	2.1
147.08392	1.8
147.11674	48.2
148.03767	1.2
148.07533	1.7
148.12029	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
58.49892	0.6
65.03930	6.8
71.25017	1.9
84.04481	3.3
84.31534	0.8
91.05463	69.1
92.05801	2.3
105.07001	1.0
119.04921	100.0
120.05258	3.7
130.04964	1.4
147.04381	58.4
147.11668	1.0
148.04741	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	147.0762
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05032	2.9
56.31541	0.5
66.06014	0.4
71.44167	0.9
75.86162	0.5
78.34892	0.5
84.04490	100.0
85.02901	1.2
85.04835	1.9
90.35221	0.5
101.07140	2.9
102.05521	4.9
102.56261	0.5
130.04984	42.8
131.05371	1.3
147.07619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03923	1.2
54.85190	0.9
55.05290	1.1
55.05507	10.8
55.83871	0.9
56.05855	1.2
58.23129	0.9
64.92796	1.1
67.05502	6.3
67.05788	1.0
69.07042	3.1
69.80594	2.3
69.80994	6.5
70.32203	0.9
79.05484	10.1
81.07067	5.4
83.06892	2.1
91.05467	45.6
92.05801	1.4
92.32612	1.0
93.07026	5.5
95.04935	1.9
99.04424	1.0
101.07935	1.9
103.05453	2.7
105.07015	100.0
106.07320	4.5
107.08565	3.4
111.74732	1.0
117.06994	7.0
119.04900	4.6
119.08567	70.5
120.08905	3.3
120.30395	0.9
123.96425	3.0
125.25588	1.0
127.22454	0.8
131.08488	1.1
132.09328	1.7
145.10133	5.3
147.04364	3.6
147.08401	2.8
147.11665	78.1
148.12003	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.27473	0.6
52.51258	0.6
52.78585	0.6
65.03927	7.7
70.48264	2.7
70.48633	1.2
91.05467	84.5
92.05806	2.0
98.21431	0.7
119.04926	100.0
120.05274	2.6
139.27104	0.6
147.04387	60.3
148.04698	1.6
157.78462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
53.03931	1.2
55.01844	0.5
57.03426	0.7
68.21694	0.2
69.03405	0.4
69.48831	2.6
71.01326	0.4
71.04666	0.3
71.04992	3.1
74.38345	0.2
81.03397	1.2
85.02893	1.7
89.22273	0.2
90.09676	0.2
91.05462	1.4
96.68511	0.2
97.02895	0.3
98.06033	0.9
99.03789	0.5
99.04443	9.6
101.02404	0.2
103.05469	1.9
103.15611	0.2
110.86781	0.2
115.05440	4.3
116.06297	0.3
117.05824	1.2
117.07007	15.3
118.06583	0.5
118.07363	0.9
120.28439	0.2
121.96641	0.8
127.03884	1.7
127.05420	0.4
128.04955	1.1
128.06218	0.5
129.05696	0.3
134.05946	0.3
142.06462	0.5
143.07294	10.8
144.08070	100.0
145.04987	0.7
145.06474	3.8
145.08414	5.9
146.06012	0.7
148.69858	0.2
152.99571	0.2
155.06009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84579	1.4
53.00285	1.7
53.03935	6.5
55.01872	5.1
55.05503	1.7
57.03426	6.0
57.06795	3.0
57.07068	46.1
62.92973	2.4
69.03411	2.8
69.07067	1.5
70.06594	2.7
70.71152	3.5
71.04980	34.2
71.08622	48.8
76.35217	1.6
81.03416	9.3
85.02894	12.9
85.10175	27.0
87.01725	1.5
97.02888	5.0
98.06060	10.9
98.09678	3.0
99.04444	100.0
101.02347	1.6
105.06978	2.2
115.03878	1.9
117.07047	2.6
121.96629	8.6
126.05526	1.8
127.03905	22.7
130.07698	2.3
139.01807	2.3
144.03770	5.1
144.06564	6.6
144.08067	4.3
144.17451	30.6
145.03983	1.7
145.04961	10.0
145.06561	1.9
145.10123	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97125	11.5
77.08394	4.0
98.97568	4.8
101.00853	11.5
110.43502	3.6
119.01908	100.0
120.01994	5.7
137.02945	39.4
138.03027	4.9
141.55870	3.5
142.03482	35.2
143.03494	4.2
160.04503	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79351	0.3
53.03934	0.6
55.01869	2.5
55.05489	1.4
56.05022	0.7
57.03428	3.0
57.07088	0.4
58.06587	0.5
59.93105	0.5
60.04523	0.6
67.05492	0.9
68.05010	0.9
68.05835	0.5
69.03422	7.8
69.07056	3.9
70.06568	0.8
70.78507	0.3
70.95467	0.9
70.95842	0.8
71.01328	0.7
71.04982	1.6
72.04496	0.7
73.06526	0.7
79.05486	7.4
80.05010	0.6
80.05801	0.4
81.04520	0.4
81.07052	4.9
82.06586	0.6
82.07389	0.7
83.01318	0.9
83.04964	1.1
83.08614	0.8
84.04493	0.5
84.08143	0.7
85.06533	0.8
86.06075	0.4
95.04955	0.4
95.06033	0.4
96.04511	1.8
96.08114	1.7
97.02886	10.8
97.06519	15.4
97.10155	0.8
98.06063	0.5
98.06859	0.7
100.07595	1.4
104.54649	0.3
107.08543	0.5
114.05539	0.8
114.09155	2.1
118.96763	1.6
119.01933	0.9
124.03928	1.0
124.07603	2.9
124.13898	0.4
125.02348	18.9
125.05980	18.9
125.09585	0.8
126.06285	0.9
128.06197	0.9
142.03253	0.5
142.04950	2.1
142.08630	10.2
142.09720	0.8
142.12274	0.6
143.03384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0908
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
53.03936	1.2
55.01864	20.4
55.05503	3.0
56.96565	0.6
57.03421	1.3
59.04976	0.5
62.57999	0.7
67.05492	6.0
67.99161	0.5
69.07053	1.1
70.06566	0.7
71.04979	2.2
71.77321	0.8
79.05473	1.5
81.03413	1.6
81.07044	8.9
83.08590	0.8
84.04526	0.6
84.08102	0.5
85.02888	1.3
85.06524	1.3
93.07021	0.9
95.04948	3.5
95.08596	7.1
95.74839	0.6
96.04463	1.4
96.08142	0.7
97.06517	100.0
98.06842	3.9
99.08063	0.7
109.02869	1.1
112.08730	0.9
113.02340	1.9
113.06010	1.4
114.09181	1.3
118.96726	1.2
123.04411	1.1
123.08073	2.8
124.07590	0.8
141.01825	4.6
141.05450	2.3
141.06979	1.4
141.09058	3.8
141.11340	0.6
142.04956	1.4
142.08630	1.9
142.12300	0.5
155.17224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.05508	2.2
56.96560	41.4
57.03432	16.4
57.95819	1.3
58.99844	2.0
61.02918	4.1
63.32433	1.2
68.02658	1.2
69.03417	8.4
69.85266	4.5
69.85698	4.6
71.95245	1.5
73.02906	10.0
75.01045	1.2
77.00803	3.4
78.52963	1.6
81.03429	3.5
82.01432	2.0
83.00774	5.8
84.96029	3.9
85.02894	5.4
86.52697	1.6
88.02681	2.0
90.01558	2.9
92.01293	4.8
93.01891	1.9
93.03387	1.6
94.51529	1.5
96.01534	6.0
96.08127	2.3
97.02895	5.7
97.99175	3.2
98.01304	2.4
98.21452	2.3
98.97575	34.0
99.04454	1.9
99.53452	2.5
100.02470	7.5
100.51550	1.5
101.00860	16.7
102.02393	4.2
103.52087	2.1
104.01299	1.4
105.02082	6.6
109.02846	2.2
110.00603	1.2
110.01270	5.8
110.04784	1.4
110.80553	1.3
110.97577	5.7
111.02898	2.3
113.53230	3.2
114.02675	1.2
115.02470	1.4
116.00245	2.5
116.98602	18.6
118.03517	5.5
119.01895	100.0
120.02003	2.0
122.53710	1.5
124.02399	1.7
125.02365	4.7
125.07098	5.2
127.03934	1.7
128.02293	9.3
128.52466	1.5
128.98611	5.1
131.01942	2.6
133.03406	1.8
134.99625	8.0
136.04555	1.4
137.02937	31.2
138.03044	2.2
140.00201	2.2
140.98564	1.4
141.02676	1.3
142.03488	26.4
142.08617	2.9
143.01851	1.4
143.02161	1.9
143.03387	32.8
143.08165	1.6
146.99677	6.0
154.03535	2.0
158.01215	3.1
160.04529	8.9
161.02916	3.3
161.04703	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	31.9
58.95405	2.5
70.99652	4.7
71.95246	4.4
81.88524	1.3
89.82967	1.2
98.97570	100.0
99.97936	3.0
100.02449	2.2
103.02452	1.5
111.04396	2.4
116.98608	93.0
118.03506	2.0
134.99638	57.1
136.00060	2.5
140.00148	3.0
147.62308	1.3
153.00688	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	28.1
67.02856	0.8
67.28519	0.7
71.16579	1.4
71.16908	1.0
71.95258	3.7
98.97572	100.0
99.97905	1.0
110.01254	0.8
110.05543	0.7
116.98609	98.0
117.42377	0.7
134.99643	57.5
135.99994	0.8
140.00163	2.7
153.00688	8.9
158.01274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0544
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03941	61.4
55.01872	1.7
55.05246	2.6
55.05502	47.1
56.05833	1.3
57.03428	1.6
59.04958	1.5
67.05484	5.7
71.02985	1.7
71.03316	2.5
71.04986	13.5
75.96335	1.1
76.76095	1.3
81.03406	67.0
82.03728	2.0
85.06527	20.7
95.04959	4.1
95.08572	1.7
97.06508	2.9
98.97605	1.7
99.04444	2.0
109.02864	83.8
110.03189	2.9
113.02357	4.4
113.05991	100.0
114.06311	3.4
141.01807	9.7
141.05475	9.4
141.06438	2.0
142.08667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0908
Annotation	4-Vinylcyclohexene diepoxide
Peak:m/z	Relative Intensity
53.03929	1.2
55.01863	20.4
55.05500	2.7
57.03417	1.6
57.60237	0.7
67.05486	4.7
69.03429	0.8
69.79446	3.7
69.79861	1.7
71.04975	2.1
79.05474	1.9
81.03417	1.2
81.07046	10.6
82.62555	0.7
85.02894	2.0
85.06525	1.2
95.04955	2.6
95.08593	10.1
96.08099	0.9
96.08955	0.6
97.06515	100.0
98.06834	4.7
99.04447	1.1
109.02866	1.1
113.02356	1.6
113.05960	1.0
114.09135	0.7
121.02148	0.7
121.07929	0.8
123.04381	1.5
123.06370	0.8
123.08054	2.9
141.01842	3.8
141.04321	0.7
141.05438	2.0
141.09076	3.2
142.04971	1.4
142.08626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1115
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
51.02339	2.6
53.03931	6.0
54.30364	2.1
55.01860	11.9
55.05507	24.3
56.31145	2.0
56.96551	10.4
57.03426	6.5
57.07050	4.3
59.04982	6.6
61.33686	2.3
65.03935	32.6
67.01856	3.5
67.05502	17.5
68.99785	4.9
69.03418	37.1
69.07054	20.4
70.06574	3.7
71.04979	3.6
71.79320	4.8
79.05486	18.8
81.07037	15.8
83.04974	33.2
83.08591	2.1
86.94917	2.3
91.05482	10.3
93.03384	15.9
93.07037	45.5
94.06556	10.6
94.07366	2.8
95.04961	15.4
95.08604	30.1
96.04527	2.5
96.97794	2.1
97.02889	26.7
97.06517	36.0
98.03176	2.6
98.97562	4.7
98.98447	24.6
105.07019	7.7
111.03652	5.1
111.04425	100.0
111.08059	8.1
112.03966	8.3
112.04760	4.9
112.07591	6.6
116.97224	7.2
116.98595	5.5
121.02850	10.0
121.03985	5.8
121.06461	4.0
121.10128	34.4
122.06025	9.1
122.10476	3.4
123.69425	2.9
125.02358	10.6
134.99670	9.3
138.05487	2.8
139.03897	76.1
139.04964	7.3
139.05838	6.3
139.07547	9.9
139.08582	2.3
139.11162	68.1
139.13077	2.4
140.03410	20.5
140.04504	7.0
140.06995	15.2
140.10672	5.7
142.93303	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	27.8
69.79711	1.6
69.80133	3.8
70.12405	0.7
71.95245	4.4
72.16948	0.7
74.97551	0.8
75.88994	0.6
78.25539	0.7
97.63924	0.7
98.97569	100.0
99.97900	1.0
114.34488	0.7
116.98605	84.6
117.98922	1.5
118.03578	0.7
131.68188	0.7
134.99638	51.6
140.00182	2.3
153.00676	6.8
158.01279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03942	0.8
55.01869	3.7
55.05504	1.4
60.21954	0.3
64.68530	0.3
65.03931	4.8
67.01845	1.2
67.05501	1.1
68.99786	4.1
69.03416	1.6
69.98741	1.7
71.01330	0.8
83.04971	5.0
86.11272	0.3
93.03397	3.0
94.03718	0.3
95.04967	0.5
97.02885	1.9
98.98463	0.4
104.94797	0.3
111.04434	19.3
112.04749	0.6
139.03886	100.0
140.04221	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	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03932	0.4
55.01860	3.8
55.05500	1.8
56.96550	0.5
61.56919	0.4
65.03932	4.4
65.45041	0.3
67.01842	1.2
67.05484	1.4
67.09293	0.3
68.99777	4.9
69.03419	2.3
69.55917	0.5
69.56319	3.0
71.01353	0.7
77.12064	0.3
83.04967	4.1
88.99509	0.3
91.66856	0.3
93.03398	3.6
94.82996	0.3
95.04935	0.6
97.02879	8.8
99.00809	0.5
111.04427	20.3
112.04755	0.9
126.43447	0.3
139.03880	100.0
140.04224	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	139.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01865	5.6
55.05508	2.9
56.96550	0.9
65.03627	0.6
65.03937	8.5
67.01871	2.6
67.05498	5.5
68.99785	7.5
69.03429	2.8
70.86697	1.2
71.01324	0.6
74.10633	0.5
83.04978	7.1
91.05485	0.8
93.03399	9.2
93.07027	2.7
95.04964	2.1
95.08615	1.0
97.02889	2.8
97.06522	1.1
98.20665	0.5
98.97558	1.2
98.98483	0.9
99.00806	0.8
111.04433	22.0
116.97215	0.7
116.98589	0.8
121.02876	1.6
139.03888	100.0
139.11209	0.8
140.03299	0.8
140.04224	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	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.93388	0.4
53.03923	1.3
55.01867	4.0
55.05501	2.4
59.05004	0.6
65.03623	0.6
65.03934	8.0
67.01857	2.9
67.05502	6.6
68.99779	8.4
69.03418	2.0
70.61174	0.8
70.61570	1.2
71.01341	0.9
83.04971	5.3
93.03393	8.3
93.07009	0.5
95.04954	2.8
97.02891	2.3
99.00816	0.8
111.04433	18.5
112.04758	0.7
115.03835	0.5
116.97198	0.5
121.02865	1.4
135.34605	0.4
139.03885	100.0
140.04245	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	138.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.74521	0.2
56.96546	0.5
65.03918	0.6
65.70821	0.2
67.05477	0.7
70.49487	0.4
70.49856	0.4
78.03440	0.4
92.04987	2.8
93.05767	0.6
94.06553	12.3
95.06864	0.2
96.04475	1.8
96.13754	0.2
96.57349	0.2
98.20705	0.2
101.89309	0.2
104.10602	0.2
110.06025	9.6
111.04434	0.2
111.06351	0.3
133.60388	0.2
135.04720	0.2
138.05479	100.0
139.05832	2.9
154.04915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
52.66787	0.8
53.03934	1.7
55.05500	6.2
57.07071	10.1
65.03913	1.9
67.05493	23.3
69.07060	5.9
71.80908	1.5
72.36111	0.8
72.82020	0.7
79.05479	9.5
81.03429	1.7
81.07043	83.9
82.07368	2.8
91.05463	7.5
92.05008	1.9
93.07034	9.9
94.04182	1.6
94.06535	1.5
95.04958	5.5
95.08592	100.0
96.04485	0.9
96.08931	4.6
96.32985	0.8
97.25986	0.8
107.08579	1.5
109.06510	3.4
109.10140	9.6
110.06029	2.2
119.04955	2.0
119.08562	1.6
120.04443	2.0
122.03653	2.7
122.07304	1.2
130.40871	0.7
137.02502	4.7
137.04478	0.8
137.04832	0.8
137.05943	9.7
137.06938	1.4
137.09599	13.0
137.13228	19.2
137.14296	1.0
138.01746	2.8
138.05479	9.9
138.06422	1.2
138.09071	1.7
138.10017	1.1
138.13551	1.4
147.68727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03928	0.4
65.03925	0.6
67.05489	0.3
70.74184	0.3
70.74560	0.4
78.03419	0.3
90.93184	0.2
92.04993	2.6
93.05770	0.4
94.06554	11.8
95.06880	0.3
96.04473	1.8
106.78741	0.1
110.06023	8.7
111.06346	0.3
121.01945	0.2
123.06774	0.3
136.60895	0.2
138.05478	100.0
138.08968	1.2
139.05830	3.5
154.04977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03928	1.0
55.05497	3.6
57.06849	0.8
57.07069	8.5
59.33538	0.9
64.75553	0.9
67.05157	1.1
67.05495	17.2
69.07054	5.4
69.52206	9.2
71.08584	1.1
79.05478	8.4
81.07045	100.0
82.07370	4.9
88.34129	0.8
89.70025	0.8
91.05452	1.5
92.51326	0.8
93.07005	5.7
94.04148	0.9
95.04946	0.9
95.08593	87.5
96.08921	4.2
109.06519	1.5
109.10147	4.7
137.02429	2.2
137.05945	1.9
137.13237	17.2
138.01703	1.1
138.05472	4.6
138.09149	2.3
157.70465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03944	1.3
55.01862	1.0
55.05510	4.1
57.07062	5.8
57.19358	0.8
65.03935	1.6
67.05148	1.5
67.05497	26.6
68.47133	0.8
69.03433	1.2
69.07057	6.2
69.57875	2.0
69.58295	6.2
75.55740	0.7
79.05476	8.6
81.03395	1.2
81.07045	64.7
82.07380	3.6
91.05465	10.7
92.05828	1.0
93.07031	10.8
94.04174	1.1
94.06540	1.3
95.04953	3.0
95.08594	100.0
96.04406	0.9
96.08930	4.2
103.24704	0.7
109.06506	3.0
109.10150	7.0
110.06049	2.4
119.04910	2.0
119.08549	3.8
120.04469	1.2
122.03637	3.2
137.02473	4.0
137.05960	11.3
137.07031	1.4
137.09602	15.9
137.10652	1.3
137.13234	14.4
138.01730	2.1
138.05460	8.7
138.06361	1.2
138.09117	2.6
138.10028	1.1
148.94189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.0
55.01852	8.8
55.05490	4.8
57.03425	2.9
57.07064	2.5
62.33558	1.2
65.03927	6.4
66.04691	2.2
66.35439	1.2
67.05497	55.4
68.05830	2.2
69.03411	4.5
69.07055	3.1
71.73156	3.1
76.91367	1.1
77.03967	1.5
79.05484	11.5
79.36002	1.3
81.03417	29.8
81.07047	38.8
82.03753	1.5
82.07376	1.7
83.04987	1.7
91.04913	2.6
91.05466	37.4
92.04978	3.0
92.05820	2.6
93.07035	17.1
94.04166	21.3
94.06560	3.9
95.04958	17.5
95.06055	1.3
95.08595	26.4
96.04490	1.6
103.05440	2.0
104.06229	1.3
107.01322	6.4
107.04929	13.0
107.08575	5.7
109.02868	10.6
109.06505	47.5
109.10147	45.8
110.06025	6.9
110.06747	1.9
110.10464	2.0
117.06995	3.7
118.61012	1.4
119.04932	7.1
119.06037	2.4
119.08566	15.2
120.04462	10.0
121.02792	1.4
121.06485	5.0
122.03642	32.7
122.07280	49.2
123.04020	1.7
127.03905	12.4
129.95119	1.4
135.08032	1.4
137.02338	76.7
137.03455	16.5
137.05960	80.0
137.09602	100.0
137.13219	2.8
138.01772	3.2
138.02724	3.8
138.05461	28.0
138.06323	3.1
138.09044	2.6
138.10008	3.1
139.07535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03921	5.3
55.01849	4.1
55.05501	6.8
55.54438	1.4
57.03419	2.6
65.03938	8.1
66.04700	3.1
67.05495	79.5
68.05827	2.7
69.03423	4.0
69.07049	5.5
71.81121	2.3
77.03876	1.5
79.05072	2.4
79.05484	22.9
79.74515	1.3
80.05785	1.7
81.03414	15.8
81.07048	54.1
82.07365	1.7
91.05467	55.4
92.04971	4.1
92.05810	3.7
93.07034	39.9
94.04178	23.5
94.06548	6.4
94.07359	2.8
94.45181	1.2
95.04962	25.4
95.07313	1.7
95.08591	31.6
96.04480	1.9
105.07015	1.8
107.04939	4.6
107.08587	11.1
109.06500	29.0
109.10144	43.0
110.06017	12.6
110.06760	2.2
110.09673	2.5
110.10432	2.5
113.13786	1.5
118.40989	1.4
119.04917	14.0
119.05798	2.4
119.08576	11.2
120.04435	5.2
121.02806	2.1
122.03638	36.6
122.07259	6.3
127.03893	7.9
137.02455	20.1
137.05949	100.0
137.09596	43.7
137.10593	2.3
137.13179	2.9
138.01747	5.4
138.05467	56.2
138.06305	4.1
138.09070	10.1
138.10005	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03939	8.2
54.64547	1.3
55.01855	5.9
55.05499	5.7
57.03424	1.9
57.07063	2.3
58.74975	1.1
60.96229	1.0
65.03918	4.2
66.04717	2.5
66.72335	1.0
67.05496	51.3
68.05823	1.3
69.03416	3.8
69.07061	2.9
69.50510	13.0
79.05489	13.9
81.03412	27.1
81.07046	33.5
82.07388	1.3
83.04974	2.1
91.04926	2.0
91.05472	35.8
92.05014	2.4
92.05794	2.7
93.07029	15.9
94.04183	17.8
94.06553	3.1
95.04963	18.4
95.08597	22.6
96.04472	1.8
105.07029	1.2
107.01302	4.8
107.04960	10.8
107.08569	5.5
108.05743	1.8
109.02877	9.2
109.06509	43.9
109.10146	42.6
110.06071	6.0
110.06771	1.6
110.10444	2.5
117.06987	3.2
119.04922	7.3
119.06082	1.4
119.08576	16.8
120.04442	8.3
121.06480	4.4
122.03629	26.3
122.06374	2.5
122.07270	46.5
123.03954	1.4
123.07623	2.4
127.03896	11.0
127.38790	1.2
135.08055	1.7
137.02341	71.9
137.03455	14.4
137.05962	76.6
137.09598	100.0
137.13179	2.6
138.01704	2.7
138.02690	5.3
138.05472	28.4
138.06352	3.1
138.09088	4.5
138.09979	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03928	1.1
55.01841	0.7
55.05490	0.6
57.07068	1.4
59.45390	0.7
65.03924	1.7
66.04703	2.6
67.05491	4.9
69.07056	0.8
79.05483	4.0
81.03432	0.6
81.06615	0.8
81.07051	9.5
81.09046	0.5
86.00313	0.5
91.05469	10.2
92.04986	1.4
92.05795	1.6
93.05768	0.9
93.07057	3.5
94.03568	1.2
94.04177	24.6
94.06557	1.5
95.01369	0.8
95.04980	2.8
95.07329	1.0
95.08595	10.5
96.04471	1.0
96.08952	0.6
98.21426	1.9
107.04933	2.2
109.06509	3.8
109.10133	2.4
110.01389	0.6
110.06044	3.1
110.09622	0.8
119.04922	2.6
120.04462	2.8
120.95258	0.6
122.03633	40.3
122.07222	1.2
123.03953	2.0
137.02512	7.1
137.05959	100.0
137.09573	4.4
137.10585	1.2
137.13205	1.7
138.01740	2.3
138.05467	12.4
138.06357	3.8
138.09109	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03930	0.8
57.07062	0.4
62.97141	0.4
65.03921	1.7
66.04714	3.1
67.05496	3.5
69.07059	0.6
70.02636	0.7
70.03050	1.4
73.48052	0.4
79.05486	3.9
81.03394	0.6
81.07048	8.1
91.05470	6.8
92.04993	0.4
92.05791	0.6
93.07059	2.6
94.04176	26.0
94.06540	1.0
95.04421	0.5
95.05000	2.1
95.08597	7.6
95.09200	0.5
96.74937	0.4
98.20744	0.5
107.04947	1.7
109.06496	2.8
109.10146	1.3
110.06011	2.2
115.19728	0.3
119.04929	1.7
119.08539	0.6
120.04465	0.9
122.03634	45.6
122.07243	0.7
123.03947	2.3
127.03891	0.6
137.02469	3.6
137.05959	100.0
137.09535	3.1
137.13257	1.1
138.01698	0.9
138.02692	0.4
138.05464	7.8
138.06339	3.7
138.09102	1.2
150.28011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02366	0.3
53.03931	0.6
55.01863	0.5
61.81989	0.2
62.29831	0.1
65.03928	0.9
66.04710	2.4
66.32467	0.2
67.05088	0.2
67.05492	0.8
69.03412	0.3
71.81070	0.2
77.03903	0.4
79.05484	3.4
80.05818	0.2
80.75043	0.1
81.03417	0.3
81.07050	2.4
81.82492	0.1
91.05464	3.6
92.05009	0.2
93.07027	0.4
94.04173	26.7
95.04408	0.8
95.05032	0.9
95.08592	1.1
105.03377	0.5
105.04504	0.2
107.04931	1.6
109.06492	1.2
109.10173	0.3
110.06018	0.3
111.00646	0.2
111.04454	0.3
119.04919	0.4
120.04475	0.2
122.03629	44.8
123.03952	2.1
130.35046	0.1
130.72231	0.1
135.04407	0.7
137.05957	100.0
138.01732	0.3
138.05441	0.8
138.06320	5.5
138.09122	0.5
144.03278	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	136.0755
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
50.93393	1.1
53.03939	2.2
58.02956	62.5
65.03925	3.2
65.10884	1.2
66.04684	1.2
67.05493	11.0
68.36780	1.2
69.03412	1.9
70.93716	2.7
71.65627	1.3
74.93034	1.2
76.03986	5.2
79.05489	12.2
80.05025	1.7
80.05809	2.3
81.03406	1.8
81.07039	10.1
91.05470	52.6
92.05763	3.0
93.05791	3.1
93.07027	8.5
94.04154	9.5
94.07367	1.6
95.04948	5.7
95.08595	12.4
104.06227	2.8
106.07349	1.5
107.04957	1.9
107.08538	2.3
108.04510	1.5
108.08167	1.8
108.08912	5.7
109.01104	3.7
109.02797	1.6
109.06504	5.6
109.10142	6.6
117.05730	3.9
118.06533	30.5
119.04919	4.0
119.07312	100.0
120.07652	5.0
122.03636	19.2
122.07275	3.1
126.83872	1.2
133.83150	1.2
136.02148	78.8
136.03885	4.1
136.05159	4.9
136.06175	30.2
136.07561	86.5
136.11160	2.6
136.12083	1.8
137.02487	6.9
137.03441	1.5
137.05951	52.2
137.07932	4.2
137.09599	12.6
137.13214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96560	1.5
61.19654	0.1
67.02985	0.2
71.22974	0.4
76.51575	0.2
81.03396	0.2
82.04044	0.2
84.01552	0.3
84.51702	0.2
88.49053	0.2
90.04192	0.2
91.05447	0.7
92.02444	0.3
93.02074	0.2
94.04045	2.8
98.97579	0.3
100.02440	0.2
104.01284	0.2
109.05087	0.5
110.03493	0.6
111.00207	0.2
112.05071	0.2
119.03537	6.1
131.01894	0.6
136.02194	1.5
136.06163	100.0
137.04575	10.2
137.05667	0.6
137.06503	2.1
149.02913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03940	5.1
53.94965	0.8
53.99967	0.8
55.01866	1.0
55.05280	0.9
55.05510	11.6
55.74687	0.9
57.07073	1.3
65.03927	2.2
67.05507	5.1
69.07065	6.3
70.06758	5.7
78.84359	0.8
79.05485	35.3
80.04990	0.9
80.05820	1.9
81.07063	5.3
89.03875	0.9
91.05471	38.9
92.05778	2.0
93.05817	2.2
93.07036	82.5
94.07345	4.1
95.04960	12.2
95.08588	1.3
97.52175	0.8
98.21322	1.6
105.04504	2.4
105.07023	14.3
107.04944	7.2
107.08582	100.0
108.08183	1.4
108.08887	5.8
109.01086	2.4
109.06505	8.1
115.05457	1.4
117.07010	3.2
119.03526	0.7
119.06047	2.4
119.08574	10.3
120.09409	2.2
133.10149	1.0
135.04439	7.1
135.08066	5.7
135.11679	49.5
136.02151	49.5
136.03912	2.8
136.05135	2.8
136.06178	17.6
136.07550	7.4
136.11116	1.2
136.12042	2.9
150.86816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	5.9
55.05511	10.9
57.07061	1.8
65.03924	3.5
67.05482	3.8
69.07050	3.8
70.17136	5.4
79.05486	34.3
80.05788	1.3
81.07040	3.6
89.03907	3.5
91.05473	41.1
93.07032	85.9
94.07355	4.3
95.04948	9.5
104.06263	1.0
105.04501	1.7
105.07013	16.4
106.07327	1.1
107.04948	5.2
107.08582	100.0
108.05219	1.1
108.08923	5.9
109.06506	7.4
109.70446	1.0
110.30859	0.9
115.05431	2.0
117.07012	3.1
119.06042	2.4
119.08576	13.7
119.59772	0.9
120.09333	2.4
127.82320	1.1
133.10167	1.1
135.04436	6.3
135.06573	1.0
135.08080	9.2
135.10741	1.5
135.11676	41.9
136.02145	20.9
136.03844	1.0
136.05185	2.1
136.06181	8.8
136.07532	3.1
136.11980	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	6.0
55.05503	13.5
67.05490	19.1
69.07046	7.9
69.73490	11.2
79.05476	58.8
80.05820	1.7
81.07041	21.2
91.05469	26.1
93.07027	100.0
94.07340	3.8
95.04946	9.3
100.79944	1.5
105.07003	7.1
107.04929	2.5
107.08573	96.0
108.08910	6.3
109.01082	2.6
109.06481	4.6
119.08549	7.0
120.09316	2.0
125.29005	1.4
133.10095	2.2
135.04413	2.3
135.08066	1.6
135.11667	81.5
136.02145	25.2
136.03903	2.8
136.05165	4.7
136.06163	16.3
136.07539	5.7
136.12006	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.36088	0.9
53.03940	4.9
55.01852	1.5
55.05497	7.3
57.07045	1.5
65.03923	2.1
67.05504	2.4
69.07051	3.5
71.38971	0.9
71.44058	1.8
77.03894	1.4
78.32987	1.0
79.05040	1.9
79.05483	35.3
80.05808	1.6
80.95024	1.0
81.07033	4.6
85.67376	0.8
91.05469	34.8
92.05791	1.0
93.07033	80.6
94.07369	4.3
95.04958	10.4
95.08633	1.4
103.05460	1.8
105.04520	2.1
105.07020	17.8
107.04945	10.4
107.08580	100.0
107.54285	1.1
108.08899	6.5
109.01063	1.1
109.06512	6.5
117.06985	1.4
119.06076	2.3
119.08569	8.3
120.09391	1.9
133.10097	1.0
135.04410	13.4
135.08038	7.3
135.11678	33.6
136.02142	24.7
136.03833	1.8
136.06168	10.2
136.07573	6.7
136.12057	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	4.9
54.57381	1.1
55.01866	2.2
55.05512	8.8
57.07063	1.4
57.50491	0.9
60.85263	1.1
65.03934	1.8
67.05491	2.6
69.07043	3.3
69.45924	0.9
79.05083	1.6
79.05489	20.8
80.05027	1.6
81.03395	1.0
81.07030	3.4
81.76735	0.9
89.03882	1.8
91.05469	42.5
92.05783	2.3
93.05777	2.4
93.07036	54.2
94.07355	2.8
95.04957	8.8
95.08585	1.6
105.04483	1.9
105.07025	16.7
107.04953	8.0
107.08582	100.0
108.04508	1.2
108.08926	5.9
109.01086	3.8
109.06505	7.2
117.06991	2.3
118.06528	1.8
119.06008	2.2
119.08569	9.7
120.09335	3.4
135.04395	7.9
135.05482	2.5
135.06601	1.3
135.07086	1.1
135.08040	5.8
135.08975	1.3
135.10629	2.2
135.11681	61.2
136.02151	80.5
136.03902	3.8
136.05144	5.4
136.06174	32.5
136.07552	11.9
136.12021	4.5
136.92621	1.0
137.04556	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.03470	0.4
55.05504	0.6
56.93353	0.4
63.89901	0.3
65.03929	0.6
67.02992	0.4
67.05463	0.5
68.05014	0.7
70.91806	1.0
75.97062	0.3
76.40508	0.3
78.18493	0.4
79.05473	1.7
80.05013	0.6
91.05470	7.4
93.04519	1.8
93.05775	2.5
93.07026	4.4
94.04049	0.6
94.05310	0.5
94.06561	0.7
95.04955	1.3
95.06077	1.5
96.06860	0.9
105.07005	2.3
107.07349	0.6
107.08578	7.5
108.08131	0.4
109.01088	5.1
109.06471	0.4
109.07625	2.0
117.07049	0.7
119.03512	1.0
119.06053	0.6
119.08578	6.1
120.09400	1.0
121.08877	0.7
121.87984	0.4
123.06461	0.3
134.07124	1.1
135.04446	0.5
135.05518	0.8
135.06577	1.0
135.07973	1.3
135.09148	1.0
135.11676	6.2
136.02145	100.0
136.06168	17.8
136.07550	5.6
136.08669	3.1
136.11192	4.3
136.12096	0.6
137.04552	1.0
137.09660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1161
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.45192	2.2
53.03941	4.0
55.05514	10.8
65.03918	2.3
65.05842	2.0
67.05491	2.3
69.07078	3.6
71.27081	2.2
71.81516	2.8
71.81924	4.8
74.07642	2.1
76.65860	2.1
77.83166	2.4
79.05484	24.8
80.05019	2.7
81.07015	3.1
88.79411	1.9
90.04671	2.5
91.05470	52.3
91.78002	1.8
93.05776	8.9
93.07032	60.5
94.07342	2.3
95.04951	10.7
96.65010	2.1
103.05453	2.3
105.07016	20.2
107.04946	7.2
107.08580	99.6
108.08128	3.1
108.08916	7.0
109.01099	5.1
109.06516	5.2
117.07014	8.5
119.03561	3.5
119.08564	39.8
120.09415	6.3
131.31279	2.1
135.04405	6.3
135.05499	3.0
135.08054	13.5
135.09019	3.7
135.11674	67.9
136.02150	100.0
136.05167	8.2
136.06187	92.1
136.07564	30.1
136.08517	1.8
136.11180	8.5
136.12067	5.1
137.04565	3.2
137.09616	3.6
139.13095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1162
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	7.1
55.05497	9.0
67.05497	2.6
69.03432	2.8
69.07048	4.4
79.05486	27.9
91.05468	61.4
93.05770	7.2
93.07036	83.4
94.07370	4.6
95.04950	10.6
105.07016	19.1
107.04926	8.3
107.08586	100.0
108.08218	2.4
108.08911	9.8
109.01080	5.1
109.06480	8.7
109.58392	2.5
116.48518	2.7
117.06979	5.2
117.97368	2.2
119.03530	4.1
119.08578	44.1
120.09365	5.8
133.10118	3.5
135.04436	7.6
135.08089	18.4
135.11678	71.7
136.02148	82.5
136.03923	7.0
136.05153	12.9
136.06169	72.4
136.07529	23.3
136.11191	6.0
136.12079	3.5
137.04558	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	134.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
56.96550	3.4
57.03433	6.7
69.03424	2.0
70.02967	0.7
70.06585	74.1
70.82050	0.6
71.01372	0.6
71.04984	100.0
71.06924	2.2
71.23914	1.1
72.05325	2.8
72.08145	2.5
73.02906	7.6
74.02434	31.3
74.06064	1.0
75.02795	0.8
77.00890	0.8
79.05490	1.7
81.03415	1.1
82.01471	0.7
85.02893	2.8
86.52706	1.9
88.02671	2.7
88.03982	12.0
88.07621	48.8
89.03916	2.8
89.07944	1.4
90.09183	1.9
92.52692	0.8
93.01874	1.1
93.53457	1.2
95.04946	0.8
95.53228	2.1
98.06048	2.1
100.02451	3.1
101.00883	3.0
101.02514	0.7
101.53196	0.8
102.02406	4.6
105.00402	0.8
107.04953	2.2
111.02145	0.7
111.02901	3.4
112.02821	0.8
113.53163	1.1
115.02451	1.1
116.03414	0.6
116.07084	6.0
117.03382	1.2
118.03526	2.4
119.01913	11.5
120.02031	1.3
120.03452	1.5
121.01621	1.1
124.02450	1.9
131.01895	3.4
132.02097	0.8
133.03493	0.7
134.04514	1.3
134.06020	0.9
134.08105	10.4
134.11731	6.4
135.04434	5.1
135.05447	1.1
137.02960	2.4
142.03496	12.3
143.03667	1.4
144.03252	1.7
145.03525	0.8
149.03001	0.7
154.03549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	10.7
56.96555	63.6
57.03426	62.3
57.80022	7.5
59.71351	8.2
61.02906	11.1
69.03411	19.7
71.42785	17.4
73.02920	16.3
77.00914	7.4
78.38646	8.2
79.05478	35.4
79.52826	10.5
83.04929	7.7
85.02827	8.4
86.52702	11.7
87.52557	13.9
89.00790	8.9
89.02523	16.2
91.02486	8.7
91.05489	19.2
93.06983	14.5
95.04960	20.3
96.03240	9.0
96.53056	8.8
97.00494	11.3
98.01281	16.2
98.97564	44.5
100.02467	32.6
100.03542	10.8
101.00862	11.0
101.02556	17.6
101.52283	7.7
106.00999	8.5
107.04934	79.8
107.08563	22.2
111.32225	7.6
112.01025	26.4
112.02753	12.8
116.98599	58.3
117.10458	9.5
118.03500	15.3
119.01908	36.4
119.03602	9.3
120.02003	31.9
121.01556	96.8
131.01883	100.0
132.02011	11.4
133.01631	16.8
134.99670	30.5
135.04390	33.1
135.05458	9.1
136.02133	87.7
136.03830	7.9
136.05206	12.9
136.06174	21.6
136.07564	22.2
136.56030	8.8
139.02660	11.4
142.03493	18.4
143.03593	33.2
144.03220	34.5
149.02971	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03940	3.7
63.02367	2.5
70.85902	3.5
79.05485	15.2
84.73833	0.8
89.03910	85.8
90.04246	2.8
91.05472	2.7
93.07041	1.5
95.04964	7.2
105.04470	1.4
107.04951	18.0
107.08572	3.3
108.05261	1.0
116.19659	0.9
117.03366	38.8
118.03711	1.8
135.04404	100.0
135.08009	2.0
135.11618	1.1
136.02171	6.5
136.04778	3.7
136.06174	2.4
136.11229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0438
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.31798	1.0
53.03935	3.8
55.01858	1.2
55.45039	0.9
59.04956	1.1
59.72101	0.9
60.06341	0.9
63.02356	3.4
66.51488	1.0
67.05461	0.9
70.83770	3.9
77.03919	1.0
78.27679	0.9
79.05476	20.6
84.94218	1.0
89.03902	80.9
90.04218	1.8
91.05456	2.9
93.07030	1.6
95.04957	9.8
99.22122	1.0
107.04936	29.0
107.08586	2.8
109.81623	1.1
116.07507	1.1
117.03363	40.0
119.08326	1.0
135.04395	100.0
135.07996	2.0
136.02139	13.9
136.05014	1.8
136.06165	7.7
136.07547	2.2
145.03934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03932	4.8
53.38446	0.9
55.01638	1.0
55.01864	14.5
55.05488	3.5
56.96668	1.0
59.28650	1.0
62.16978	1.0
65.03931	5.4
67.05483	5.1
69.03421	12.2
71.80929	1.1
79.05483	47.0
80.04980	1.6
89.03892	2.4
89.23222	1.1
91.05469	69.7
92.05768	2.5
92.06280	1.7
93.05756	2.5
93.07035	20.1
95.04955	11.7
105.04493	2.0
105.07019	27.2
107.04937	14.4
107.08576	68.7
108.05214	1.1
108.08931	3.5
109.01061	4.2
109.06496	16.8
115.05435	20.1
117.07005	23.8
118.06562	1.3
118.07358	2.0
119.03510	1.3
119.06054	3.9
119.08565	3.8
135.04405	11.8
135.05481	2.4
135.08035	56.1
135.09039	2.1
135.11656	9.9
136.02144	100.0
136.03896	4.2
136.05127	9.1
136.06172	37.2
136.07538	12.6
136.08430	3.1
136.11185	2.8
137.04579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.15481	1.1
53.03930	4.8
54.63792	0.9
55.01873	9.3
55.05497	3.4
60.30262	1.1
63.10531	0.9
65.03932	4.2
67.05487	4.3
69.03436	7.6
69.07026	1.2
71.79705	1.4
71.80078	1.3
79.05487	44.9
80.05017	1.3
80.05810	1.1
81.07047	2.2
89.03916	5.3
91.05471	62.0
92.05781	1.6
93.05785	3.0
93.07038	26.8
94.04064	1.0
94.07328	1.2
95.04962	11.8
96.46747	1.0
105.04506	1.4
105.07018	20.6
107.04945	18.2
107.08583	56.2
108.08128	2.2
108.08912	2.8
109.01082	4.5
109.06502	11.3
115.05424	14.3
117.06997	14.5
118.06541	2.2
119.06067	2.7
119.07311	1.7
119.08556	3.3
135.04420	17.3
135.05478	2.7
135.08047	45.1
135.11679	11.4
136.02153	100.0
136.03911	3.8
136.05142	7.4
136.06180	34.8
136.07556	14.6
136.08417	1.6
136.11201	2.0
137.04541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02377	0.8
51.45123	0.6
53.03941	6.4
55.01861	1.9
55.05495	3.3
63.02373	0.8
65.03934	0.9
67.05500	1.8
69.03416	0.7
69.07060	1.1
70.25924	1.4
70.26318	1.6
77.03918	1.3
79.05482	28.4
80.05006	0.8
80.05825	0.8
81.03447	0.9
81.07043	1.5
89.03913	7.4
91.05473	19.4
93.03339	0.9
93.05789	1.4
93.07033	22.3
94.07335	0.9
95.04966	13.5
105.04489	2.7
105.07011	8.0
107.04942	100.0
107.08579	34.4
107.09329	0.9
108.04539	1.2
108.05231	4.9
108.08115	0.8
108.08879	1.1
109.01090	2.8
109.06517	3.0
115.05431	3.4
117.03370	2.1
117.07019	2.5
118.06493	0.9
119.03545	0.8
119.08534	3.7
120.05732	0.7
135.04413	19.5
135.05414	1.1
135.08038	65.7
135.11661	14.3
136.02148	52.1
136.03894	2.0
136.05135	3.4
136.06183	15.1
136.07547	9.6
136.08429	3.1
136.11185	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	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05399	1.0
53.03933	2.3
55.01857	1.4
55.05494	1.8
56.05020	1.4
56.96564	6.5
57.03433	8.3
58.03756	1.0
58.06585	3.4
65.02372	0.9
69.03428	2.3
70.02943	1.0
70.06583	70.6
71.04984	100.0
71.06917	1.3
71.79402	1.5
72.05305	2.0
72.08150	12.7
73.02897	8.8
74.02431	42.3
74.06068	2.3
77.00863	1.6
78.52951	1.3
78.68583	1.0
81.03417	4.9
82.01436	3.3
83.04978	1.7
84.04473	1.1
85.02882	3.6
85.53715	9.8
86.03764	1.2
86.09657	1.1
86.52684	2.0
86.53557	1.0
88.02703	4.4
88.03983	18.7
88.07619	50.2
89.03902	1.2
89.07949	1.3
90.09176	13.2
92.52673	8.7
93.01904	2.8
93.02768	1.8
94.54247	4.5
95.53175	1.7
98.06031	2.1
99.04410	2.0
99.53454	8.5
100.02468	15.4
101.00866	5.0
101.02574	1.2
101.53201	12.2
101.82934	1.0
102.02369	7.1
102.03069	1.3
102.09154	2.5
103.51570	1.1
108.53973	4.2
109.02844	6.2
109.04049	1.8
111.02121	1.3
111.02898	6.0
111.04282	0.8
113.53195	6.4
114.03210	1.6
115.02421	1.1
116.03413	1.8
116.07102	4.7
118.03509	8.8
119.01906	14.6
120.01894	1.7
120.03331	1.6
121.01573	3.6
122.53694	4.3
124.02454	3.9
130.61916	1.0
131.01886	5.7
131.54192	1.4
134.04530	1.2
134.05972	1.6
134.08119	12.3
134.11746	47.3
135.04361	2.3
135.12073	1.5
137.02930	2.9
142.03473	17.8
143.01898	1.0
143.03575	1.9
154.03490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22928	1.1
53.03928	2.5
55.01859	3.3
56.05038	2.0
56.96553	18.2
56.97281	1.1
57.03427	15.0
57.56503	1.2
58.06570	1.8
58.61161	1.2
69.03404	3.7
70.02927	1.8
70.06580	75.3
70.27007	6.3
71.04981	100.0
72.08141	2.4
73.02897	15.3
74.02430	74.8
74.06054	2.8
75.01032	1.2
77.00894	1.4
78.52969	1.8
79.05479	9.0
81.03387	2.5
82.01409	2.2
83.00794	1.2
83.04939	1.1
85.02878	5.2
85.53712	2.6
86.52679	7.1
87.53471	1.7
88.02685	8.2
88.03974	36.8
88.07616	50.6
88.52705	2.3
89.00800	1.4
89.03880	5.5
90.09171	3.0
92.52694	2.7
93.01881	3.0
95.04952	3.3
95.53217	7.6
97.52058	1.3
97.99176	1.4
98.06029	3.7
98.20748	1.3
98.97571	4.0
99.04433	1.9
99.53463	2.9
100.02464	10.4
101.00882	6.9
101.02566	1.3
102.02378	8.9
106.06505	1.7
107.04930	13.7
107.08607	2.0
108.53983	1.4
109.02848	2.1
111.02922	7.3
112.00993	1.4
113.00827	2.0
116.03432	4.0
116.07108	5.7
116.98628	2.1
117.03378	2.5
118.03481	9.1
119.01905	24.5
119.03629	1.4
120.01921	3.6
120.03393	2.7
121.01574	5.0
122.53679	2.9
124.02433	4.3
131.01892	8.7
131.54196	1.5
133.03473	1.8
134.04520	2.5
134.05986	6.1
134.08092	12.5
134.09616	1.5
134.11740	14.8
134.99625	1.5
135.04384	12.4
137.02913	4.5
142.03470	28.9
143.03587	3.4
144.03174	1.9
149.02924	2.5
154.03491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58233	0.5
53.03941	1.1
55.01853	1.2
55.05510	1.3
56.05036	1.6
56.96553	4.6
57.03425	9.0
58.06594	2.4
58.99852	1.1
59.99937	0.5
61.02913	0.6
64.49932	0.6
65.52177	0.6
68.02630	0.7
68.05042	0.6
69.03419	2.5
70.06580	73.0
70.48418	1.8
70.48840	1.2
71.04980	100.0
71.06915	2.2
71.26008	0.5
72.05309	2.8
72.08147	5.3
72.52940	0.6
73.02909	10.0
74.02427	31.0
74.06051	2.1
75.02757	0.6
77.00897	1.4
78.52971	1.4
79.02156	1.0
79.05470	1.2
79.51897	1.1
81.03411	3.0
82.01430	2.6
84.52960	0.6
85.02879	3.2
85.53719	5.8
86.03797	0.5
86.09718	0.9
86.52689	3.1
87.04449	0.6
87.53452	1.0
88.02670	6.1
88.03970	10.1
88.07615	54.8
88.52732	1.7
89.00834	0.6
89.07956	1.5
90.09179	4.7
92.52678	2.7
93.01872	3.1
93.02713	0.9
93.53447	2.1
94.54227	2.3
95.53214	2.0
97.03207	0.7
98.06037	2.3
99.04446	1.6
99.53441	3.8
100.02466	10.0
100.53373	0.6
101.00860	4.1
101.02523	1.1
101.53197	4.3
102.02383	6.8
102.03065	0.9
102.09159	5.4
102.44295	0.5
102.52531	1.1
103.00547	0.8
104.52680	0.9
107.04917	1.0
107.53163	0.7
108.53976	2.4
109.02853	3.2
111.02921	5.4
111.53020	0.7
113.00832	0.6
113.53181	2.5
116.03390	0.6
116.07069	6.1
117.03945	0.8
117.51786	0.7
118.03490	5.6
119.01899	16.1
119.03581	1.0
120.01968	2.3
120.03385	1.5
121.01586	2.4
122.53703	3.0
124.02431	3.2
129.03925	0.7
131.01871	5.0
132.02013	1.2
133.03427	1.3
134.04439	0.9
134.05975	1.6
134.07161	0.9
134.08116	10.7
134.11742	21.7
135.04379	0.7
135.12106	0.7
137.02930	2.6
142.03479	20.0
143.03586	2.1
144.03210	1.3
145.03490	1.0
149.02914	1.1
154.03481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03935	1.3
55.01866	2.9
55.05498	0.5
63.19193	0.3
63.34030	0.3
66.02647	0.3
66.08311	0.3
70.06581	0.8
70.78227	1.3
71.04994	0.4
71.95654	0.3
74.02425	0.4
77.03906	0.5
79.05486	11.1
80.05829	0.4
85.85136	0.3
87.10017	0.5
88.02206	0.8
88.03985	0.7
88.07648	0.3
90.74834	0.3
91.05473	4.6
93.07018	0.4
95.04961	2.1
98.20773	0.4
103.05455	7.7
103.06107	0.6
105.07019	85.7
106.06618	0.7
106.07341	5.0
107.04960	0.6
115.05441	3.5
118.07726	0.4
121.75964	0.3
123.07990	0.4
131.04916	1.5
131.08571	0.5
131.81418	0.4
132.05743	0.4
133.06479	100.0
133.10094	7.9
134.05975	1.0
134.06837	7.3
134.09579	0.5
134.10481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01594	0.4
51.02370	0.5
53.03949	2.0
55.01866	3.2
55.05496	1.2
56.96547	1.1
61.63781	0.4
67.05505	0.7
69.03409	1.1
70.04000	2.0
70.06578	1.1
71.04972	1.3
73.06557	0.4
74.02424	1.3
77.03925	1.3
79.05036	0.8
79.05482	12.9
79.05944	0.7
80.05821	0.5
87.10027	0.7
88.02228	1.2
88.03986	0.4
88.07622	0.5
91.05473	7.6
93.07027	1.5
95.04959	4.2
97.02869	0.8
97.06483	0.6
97.10170	0.5
98.20708	0.5
103.05453	8.9
105.03413	2.7
105.07018	100.0
106.06609	0.7
106.07343	6.3
107.04949	0.6
111.04414	0.4
115.05440	5.4
116.07001	0.4
117.06992	1.3
118.07796	1.6
131.04918	1.3
131.08556	2.9
133.02899	3.0
133.06479	97.2
133.10107	26.2
134.05975	2.0
134.06854	6.0
134.10472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.96134	0.6
53.03939	0.6
55.05490	2.4
65.03918	1.0
69.86607	4.5
70.06566	1.1
74.02437	1.0
79.05488	4.0
88.02219	1.1
91.05471	21.1
92.05789	0.9
93.07033	3.9
93.85734	0.6
95.04952	1.4
97.05586	0.6
98.20766	0.6
101.34671	0.6
103.05441	2.7
105.07012	61.3
106.06587	0.7
106.07345	2.3
107.59335	0.6
115.05450	5.3
116.06273	0.9
116.07087	0.6
117.07008	5.4
118.07786	5.1
124.80342	0.5
131.08528	6.1
132.08890	0.7
133.06450	2.2
133.10109	100.0
134.05995	2.3
134.09612	1.0
134.10452	6.2
151.09482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.78239	0.9
51.33984	0.8
55.05494	4.6
55.58079	1.0
70.06569	1.3
71.35582	2.8
73.37927	1.0
76.12836	1.1
79.05494	5.2
88.02204	1.8
88.03975	1.0
91.05470	27.8
92.05779	1.5
93.07024	2.9
95.04939	2.0
103.05456	2.1
103.23208	0.9
105.07020	85.6
106.07341	3.7
115.05436	4.0
116.06248	1.2
117.06968	5.5
118.07787	3.7
131.08549	7.8
133.06525	2.3
133.07538	2.5
133.10117	100.0
134.06038	1.6
134.10449	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03915	0.9
55.05490	3.8
56.14344	0.8
62.43560	0.7
65.81278	0.8
67.05502	2.4
69.71187	5.3
69.71597	1.7
73.19576	0.9
79.05479	7.9
91.05468	33.6
92.05793	1.2
93.07033	2.5
95.04963	1.5
103.05445	2.1
105.07014	100.0
106.06720	1.0
106.07355	6.1
115.05430	2.1
117.06995	2.9
118.07774	3.5
131.08554	6.0
133.06483	2.1
133.07533	1.5
133.10109	53.4
134.06010	2.2
134.07068	1.2
134.09550	1.5
134.10489	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01853	2.0
55.09997	1.0
55.68238	1.0
56.96563	17.0
57.03156	1.7
57.03431	25.6
58.99854	2.1
59.04990	1.8
61.02914	3.0
68.02643	1.3
68.98288	1.1
69.03426	4.9
70.02942	2.9
70.99857	2.8
72.52966	2.5
73.02918	8.4
74.02435	100.0
77.00888	1.6
78.52957	3.4
79.02189	1.1
79.51907	1.4
80.52712	1.2
81.03417	3.2
81.53481	1.4
82.01437	2.7
82.99826	1.1
83.04966	3.0
84.04499	2.6
84.52969	2.1
84.96053	1.1
85.02904	4.6
85.53737	2.8
86.52699	13.6
87.02753	1.3
87.52595	1.3
87.53453	1.8
88.02685	7.6
88.03983	62.5
88.51560	4.3
88.52737	1.2
89.00854	1.4
89.04315	1.1
90.52904	1.1
92.52681	1.1
93.01870	1.9
93.53459	2.8
95.53212	10.3
96.03288	1.0
97.03229	1.5
97.52077	8.5
97.99171	1.1
98.97569	5.4
99.53465	3.7
100.02470	15.7
100.52430	2.2
101.00863	10.4
102.02371	7.2
102.52464	1.3
103.00595	1.4
105.00333	1.4
108.53999	1.8
109.02855	1.7
110.52853	1.6
111.02139	1.9
111.02917	7.4
111.04354	1.2
111.51743	1.6
112.01026	1.8
113.00828	2.4
113.53181	4.1
115.02393	3.4
116.03428	6.8
116.98605	4.5
118.03508	9.9
119.01909	30.5
119.03661	1.3
120.01969	2.4
120.03403	2.7
120.52348	1.6
121.01551	5.9
122.53735	1.9
123.03806	1.3
124.02462	5.8
129.04044	1.1
131.00208	1.3
131.01904	15.2
131.54314	1.3
132.02010	1.6
133.01720	0.9
133.03452	3.8
134.04480	3.5
134.99680	2.1
135.24246	1.1
137.02945	4.6
141.02654	1.6
142.03493	32.1
143.01891	4.7
143.03606	5.9
144.02089	1.0
144.03265	2.9
145.03404	1.8
147.01363	1.6
147.05017	1.0
149.01256	1.1
149.02948	3.7
154.03499	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	129.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77675	0.8
53.00299	1.4
53.03943	0.8
55.05499	5.2
56.05027	4.0
57.07067	7.8
59.04988	6.9
65.40921	0.6
67.05256	0.6
67.05504	6.1
69.03422	26.6
69.03775	1.0
69.07059	40.2
70.06606	4.6
70.75329	1.5
70.75725	1.6
71.04990	6.8
74.09703	5.5
79.05489	1.8
82.06567	1.7
83.04974	2.8
83.06059	0.9
83.06911	1.3
83.08590	2.6
84.04493	55.5
84.08131	64.6
85.02867	1.2
85.06523	3.4
88.07645	1.1
93.14079	0.8
95.04909	0.9
101.05994	0.9
111.08058	2.2
112.07590	100.0
112.11243	1.8
129.00858	0.8
129.01823	14.4
129.04398	1.0
129.05467	2.1
129.09059	1.3
129.10146	0.8
130.05025	7.8
130.06528	13.9
130.08624	43.0
130.14958	1.1
130.15909	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.11872	0.3
54.70690	0.3
56.96555	1.8
59.90937	0.3
66.63733	0.3
68.12257	0.3
69.07055	6.1
70.28536	0.3
70.30881	1.5
86.09690	100.0
87.09997	3.8
102.05481	0.4
132.10179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03945	1.2
55.01864	2.8
55.43381	0.2
59.69050	0.3
69.72540	1.8
69.72955	0.6
77.03902	0.4
79.05481	10.5
80.05806	0.4
88.02166	0.3
91.05448	2.1
95.04955	2.1
98.20759	0.6
102.44846	0.2
103.05451	8.2
104.05769	0.4
105.07014	80.7
106.07339	4.8
107.04929	1.1
115.05431	4.0
131.04883	1.3
132.05629	0.3
133.06471	100.0
133.10042	2.6
134.06815	7.6
137.61986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
53.56970	1.1
55.01873	2.3
55.05507	7.5
56.05024	5.4
57.03160	2.0
57.03428	26.7
59.04988	2.1
67.05499	1.7
69.03421	27.7
69.07066	10.6
70.06584	4.9
71.04983	78.3
71.79427	1.6
72.05299	1.9
82.06543	2.1
82.33328	1.2
83.04977	10.9
83.06941	1.3
84.04493	82.4
84.08131	83.0
85.02895	41.8
86.09726	1.4
88.07627	1.9
98.79279	1.3
99.04453	2.5
103.00223	1.4
111.04419	10.7
112.07589	100.0
128.06247	2.1
129.01826	15.0
129.04507	2.1
129.05479	8.6
129.07384	1.3
130.04997	12.3
130.06522	17.2
130.07623	2.5
130.08623	52.1
130.15874	2.4
149.97717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01856	4.3
55.05494	4.0
56.05028	6.6
57.03428	49.2
57.07061	2.8
59.04984	3.5
67.05484	3.6
69.03418	25.3
69.07056	76.1
70.06585	13.2
70.07372	1.8
71.04976	13.9
71.61487	2.0
79.05487	7.7
81.07042	1.1
82.06548	1.1
83.04955	2.9
83.06067	1.5
83.06881	1.1
84.04491	78.8
84.08128	100.0
85.02892	1.1
87.08112	1.0
88.07620	2.5
97.05883	1.9
97.06511	35.7
98.06834	2.1
98.16905	1.1
101.06017	1.9
111.04455	1.2
111.08090	1.8
112.07590	84.8
112.11216	2.5
128.61346	1.1
129.01834	18.9
129.04420	1.0
129.05461	4.6
129.07106	1.1
129.09100	21.1
129.10117	1.8
130.05003	9.7
130.06541	7.0
130.08626	48.0
130.15900	4.5
133.12320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
53.53360	0.2
54.28115	0.2
55.01862	1.2
55.05523	0.6
56.96557	4.0
57.03436	0.4
60.99632	0.4
67.05503	0.4
68.05028	0.3
69.03403	1.1
70.47360	0.8
70.47731	0.4
71.04997	0.4
72.02884	0.3
78.52973	0.7
78.53445	0.2
79.51958	0.3
80.52702	0.4
81.03399	1.1
81.07046	0.3
82.01440	0.7
83.04980	1.0
83.50520	0.3
84.01181	0.6
84.96042	1.1
84.99608	0.8
85.01491	0.3
85.02889	0.2
88.51547	0.2
91.48201	0.3
91.53742	0.5
92.52700	0.3
96.50536	0.4
97.02882	0.3
98.97598	0.5
99.04440	0.4
100.02477	4.3
100.03484	0.3
100.48736	0.4
100.52422	0.4
101.00858	0.3
101.02528	1.2
102.00958	0.5
102.02229	6.2
102.02900	0.4
102.53136	0.7
102.97117	0.2
103.00621	12.1
103.01229	0.7
103.01935	0.5
103.02548	3.5
104.01290	0.3
104.90820	0.4
108.04491	0.4
109.02869	1.1
111.53629	2.6
112.07584	0.4
112.52388	0.3
113.01778	0.5
114.04773	0.4
115.02424	0.6
115.52888	0.3
116.98637	0.6
118.03513	2.4
119.01910	1.4
119.03600	0.8
120.01990	2.6
120.03259	4.6
121.01653	100.0
121.03471	3.5
122.02003	1.3
123.02091	0.3
124.53418	0.3
125.22246	0.2
126.02206	0.6
126.03976	0.4
126.05502	0.6
127.00492	0.3
127.03928	1.9
133.03448	0.6
134.03616	0.3
134.99622	0.4
135.03152	0.5
137.02875	0.3
138.03067	1.3
139.02675	50.6
140.03047	0.3
141.03110	0.4
142.03435	0.8
143.01836	0.4
144.02046	0.7
144.03204	8.4
144.05035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.9
55.05501	3.8
55.10084	0.8
57.07060	6.7
62.42616	0.7
65.03916	0.9
67.05496	14.6
68.05024	0.9
69.07049	2.6
70.85773	0.7
71.51237	0.9
71.80920	1.3
78.03433	2.8
79.01838	1.9
79.05487	10.8
80.05013	16.6
80.05785	0.9
80.48434	0.9
81.07046	100.0
82.07372	3.1
88.02390	1.7
93.07024	1.9
95.04957	9.3
95.08590	15.1
96.04481	69.9
97.02862	0.7
100.02458	1.5
105.07006	0.9
106.02854	1.2
112.03928	5.0
118.03505	1.6
121.10110	1.5
122.62450	0.8
123.04472	4.1
123.05537	60.2
123.08048	6.3
123.09167	2.1
123.10046	0.9
123.10778	1.1
123.11693	35.4
124.03937	73.2
124.05867	2.9
124.07573	3.4
124.08459	1.5
124.12020	1.9
128.58913	0.8
140.03404	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	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
50.31688	0.7
53.03950	1.6
55.05506	4.2
57.07068	3.8
67.05497	15.1
69.07056	2.0
70.00422	1.9
70.00835	2.5
77.03934	1.0
78.03473	1.1
79.05489	12.5
80.05008	7.0
81.07045	100.0
82.07374	3.3
93.07035	1.7
95.04954	9.1
95.08591	18.2
96.04478	21.7
100.02456	1.3
105.07028	1.7
106.02952	0.8
108.05738	3.9
108.09353	0.9
112.03954	2.3
121.06510	1.1
121.10104	2.1
123.04425	5.9
123.05534	22.7
123.08056	16.0
123.11689	30.3
124.03936	26.3
124.05847	1.0
124.08390	1.3
124.12002	1.6
140.03406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0757
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
50.18387	0.3
50.18623	0.4
51.02372	0.7
52.30484	0.3
53.03925	1.5
55.01864	2.0
55.05503	2.9
56.05023	0.8
56.96550	0.3
57.03441	0.6
65.03927	0.9
67.05490	1.4
68.05020	2.6
68.05820	0.6
69.03413	2.0
69.07053	1.7
69.20688	0.3
70.23500	1.5
71.01341	0.4
78.03448	2.3
79.01842	0.8
79.05482	16.6
80.05006	8.9
80.05761	0.6
81.03412	0.8
81.04541	0.6
81.05355	1.2
81.05783	18.9
81.07041	7.4
82.02911	0.5
82.06122	0.7
82.06557	3.3
82.07364	1.2
83.04959	2.8
83.06098	0.6
94.02912	0.5
94.06554	2.3
95.04958	2.1
96.04478	76.0
96.05206	2.3
96.08112	30.2
97.02876	6.9
97.04175	0.6
97.04819	3.6
97.06517	2.0
97.07685	0.5
97.08466	1.2
105.07040	0.3
106.06541	8.2
107.04921	1.8
107.06086	0.6
107.06846	0.5
107.08575	1.3
109.05250	0.7
112.03950	10.1
119.01895	1.4
119.03509	0.4
124.03934	100.0
124.07567	40.7
124.08514	1.9
124.09481	0.6
124.11176	0.5
125.02328	3.7
125.03432	0.4
125.04279	5.4
125.05978	4.3
125.07089	1.9
125.07930	1.6
125.09606	2.8
137.02936	1.7
140.03404	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05505	4.1
57.07067	5.2
65.03925	0.9
67.05498	19.6
68.05001	0.8
69.07061	2.7
69.61864	2.9
69.62297	3.6
78.03433	1.5
79.05479	15.0
80.05010	18.5
81.07047	100.0
82.07380	2.5
93.07035	2.8
95.04962	18.3
95.08592	22.2
96.04482	62.4
96.08927	1.0
100.02480	2.9
101.54534	0.7
105.04485	0.9
105.07024	2.6
106.02892	1.1
107.04991	1.0
108.05714	6.4
108.09372	1.2
112.03948	4.5
118.03511	3.0
121.06479	0.8
123.04454	8.1
123.05533	66.8
123.08047	25.1
123.09019	1.1
123.11693	32.2
124.03938	78.6
124.07569	1.8
124.08431	1.1
124.12000	1.7
128.19185	0.7
140.03423	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96976	0.6
53.03932	2.4
55.05501	4.4
57.05827	0.7
57.07064	5.6
65.03928	1.5
67.05492	16.2
68.05025	1.4
68.05830	0.8
69.07058	2.7
70.93825	0.6
71.77659	0.9
77.03928	0.7
78.03435	2.2
79.05483	13.8
80.05006	25.8
81.07044	100.0
82.07368	3.0
84.21515	0.7
87.06705	0.7
88.02348	1.6
93.07031	1.5
94.07806	0.9
95.04949	12.5
95.06028	1.0
95.08020	1.3
95.08596	17.1
96.04478	76.4
96.08109	0.9
100.02480	2.9
105.04539	0.9
105.07011	1.1
106.02881	1.4
108.05712	1.1
108.09380	0.9
111.28062	0.7
112.03944	7.8
118.03526	2.1
121.10086	1.5
123.04456	8.4
123.05533	82.8
123.08045	13.3
123.11690	37.2
124.03936	95.5
124.07572	2.8
124.08399	1.1
124.12003	2.3
130.25133	0.7
137.85355	0.7
140.03398	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	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03942	2.2
55.05507	4.0
56.96561	0.6
57.07061	6.0
59.89341	0.4
65.03925	0.8
67.05495	16.0
67.05858	0.8
68.05004	0.9
69.07059	2.5
69.58844	3.3
69.59268	1.6
78.03458	1.9
79.01854	0.8
79.05478	11.9
80.05003	21.2
81.07044	100.0
82.07372	3.7
87.49078	0.5
88.02363	0.9
93.07027	1.9
94.02872	0.5
94.07816	0.7
95.04958	10.7
95.08594	16.2
96.04478	71.0
96.08146	0.5
96.08949	0.6
100.02493	2.9
105.03384	0.8
105.07005	0.8
106.02911	1.6
106.03593	0.5
108.05717	0.8
108.09361	0.8
112.03970	6.9
118.03477	2.3
121.10136	1.8
123.04462	6.7
123.05534	73.7
123.08028	7.9
123.11689	36.8
124.03937	83.1
124.07557	2.6
124.08498	0.9
124.12007	2.6
136.87898	0.5
140.03391	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	123.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05491	2.8
57.07063	4.9
58.34721	1.1
67.05499	14.1
69.00858	1.1
69.07054	2.9
70.41234	5.4
71.12111	1.2
78.03428	2.5
79.01833	1.6
79.05476	11.0
80.04578	2.1
80.05006	22.2
81.07044	96.7
81.16190	1.2
82.07366	3.0
93.07047	3.2
93.42094	1.2
95.04959	12.4
95.08608	15.5
96.04481	100.0
96.08124	1.4
97.53482	1.3
99.60260	1.1
100.02453	2.8
100.10197	1.2
105.07030	1.4
106.02929	1.4
108.05755	1.5
112.03962	6.8
118.03503	3.2
123.04459	4.9
123.05536	85.0
123.08047	11.1
123.09149	5.1
123.09937	1.7
123.11686	36.7
124.03940	96.5
124.05888	2.7
124.07569	5.5
124.08539	2.0
124.11996	1.9
126.90836	1.2
130.35750	1.1
134.91864	1.1
140.03407	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	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01576	0.6
51.02369	2.7
51.18847	0.6
53.03938	3.8
55.01860	1.4
55.05490	0.8
61.32999	0.6
65.03927	1.4
67.05493	13.0
69.07059	0.6
71.12254	1.2
71.12603	0.8
73.30761	0.5
77.03918	5.9
77.40619	0.6
78.03458	0.9
79.05480	6.1
80.05009	6.6
81.03392	0.8
81.07047	16.7
93.07049	1.1
95.04958	19.3
95.08596	8.0
96.04478	17.6
100.02493	1.2
105.03374	9.2
105.04504	2.0
105.07051	0.8
106.66100	0.5
110.75628	0.6
112.03989	1.9
118.03474	0.8
123.04420	100.0
123.05518	20.6
123.08038	9.9
123.11676	3.5
124.03947	20.6
124.04787	2.8
124.07556	0.8
140.03369	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31211	0.7
52.96926	0.7
56.96553	0.8
58.99858	1.8
61.50028	0.7
71.21844	1.2
71.22178	1.2
72.19127	0.8
72.87528	0.8
77.00932	1.1
82.01436	16.7
83.01509	1.6
100.02475	100.0
101.00865	7.8
101.02547	7.2
118.03510	68.3
119.01910	55.2
119.03606	4.9
123.04048	2.6
137.02943	24.3
141.05064	1.5
142.03514	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01855	1.7
56.96556	9.2
57.03424	3.4
58.99840	1.4
61.02910	2.1
66.02203	1.0
69.03429	3.0
69.74020	2.7
69.74435	5.9
73.02908	1.3
77.00889	1.8
78.03458	1.2
80.04996	3.5
81.03403	3.2
81.07040	1.8
82.01421	15.7
83.01477	1.2
85.02866	1.4
85.24352	1.1
88.02689	2.8
91.49898	1.0
92.52692	2.1
95.04970	5.5
96.02443	1.2
96.04473	8.5
97.02863	1.5
97.52084	3.7
98.52789	1.1
100.02464	100.0
101.00844	6.5
101.02527	7.7
101.45791	1.2
102.02363	2.7
108.51323	2.2
109.02856	4.8
111.02917	1.7
115.02451	1.6
118.03498	71.7
119.01902	41.9
119.03604	6.0
120.02036	2.1
123.04209	1.8
123.04613	1.5
123.05532	14.2
124.03931	13.5
124.04806	1.7
126.03809	1.1
131.01892	3.6
133.03377	1.4
135.67509	1.1
137.02913	14.7
141.05074	2.9
142.03506	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.83220	1.2
51.77019	1.0
53.03942	7.0
55.05511	7.4
65.58764	1.2
67.05487	2.4
69.68195	10.4
72.23454	1.2
77.03891	1.6
79.05489	35.6
79.45804	1.1
80.43143	1.1
81.07051	3.4
91.05474	28.8
92.05782	1.5
93.07037	100.0
94.07359	4.4
95.04959	10.8
103.05444	7.9
105.04520	2.7
105.07024	47.4
105.07730	2.4
106.07789	4.9
119.08577	7.1
121.10133	59.0
122.06035	1.7
122.09670	1.4
122.10468	2.2
123.08057	7.1
133.07587	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	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
54.83635	1.0
55.05501	5.7
55.39515	1.1
66.61289	1.1
67.05479	1.7
68.92701	1.0
69.97915	7.6
72.57394	1.0
77.07162	1.1
79.05015	1.8
79.05479	26.0
80.05805	1.3
80.06281	1.0
81.07055	3.9
91.04917	2.1
91.05469	30.4
92.05802	1.4
92.29363	1.3
93.07030	100.0
94.07359	5.1
95.04954	12.5
103.05429	4.3
105.04507	1.6
105.07015	25.7
106.07860	1.8
110.08603	1.1
110.38653	1.1
119.07762	1.2
119.08531	6.3
121.06499	2.0
121.10129	38.4
121.73661	1.1
122.06022	1.9
122.09683	1.4
122.10449	2.5
123.08047	3.8
133.07608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03939	4.5
55.05480	1.1
65.03913	1.6
65.93555	1.0
67.05482	3.9
68.50859	0.9
70.42937	1.5
70.43337	2.5
77.54270	0.9
78.99277	1.0
79.05482	30.8
80.05801	1.1
91.05465	7.8
93.07024	21.5
94.06532	2.8
94.07333	1.0
95.04951	6.2
100.08273	0.9
103.05451	14.2
105.07013	100.0
106.07304	4.3
106.07824	4.3
117.44421	1.0
119.08565	15.8
119.09344	1.7
121.02837	1.6
121.06543	5.0
121.10123	88.7
122.05988	3.5
122.09669	1.6
122.10454	7.1
123.08046	17.8
133.07579	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03925	4.4
57.11797	1.1
65.03890	1.8
70.11628	6.9
72.51147	1.2
78.13259	1.1
79.05481	28.6
81.07023	1.3
91.05478	9.8
93.07036	20.0
95.04953	8.0
97.56654	1.2
103.05447	13.7
105.04559	1.8
105.07021	100.0
106.07217	2.3
106.07901	6.5
119.08562	15.6
121.06499	3.1
121.10128	82.9
122.06021	3.6
122.10455	4.8
123.08057	17.1
133.07613	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03939	8.4
55.05502	8.4
58.04214	1.3
59.14849	1.2
65.03933	3.5
67.05492	5.9
68.74502	1.5
69.89912	1.2
71.77344	1.2
77.03915	2.1
79.05042	2.7
79.05484	49.0
81.07037	2.2
91.05474	31.9
92.05772	2.2
93.07034	100.0
94.06557	2.9
94.07365	4.1
95.04961	14.3
96.36428	1.4
103.05461	12.2
105.04494	3.2
105.07019	65.5
106.07789	5.0
111.04563	1.3
119.08562	10.2
121.02847	5.2
121.03961	1.8
121.06535	10.9
121.10129	68.5
122.06010	6.0
122.09656	3.1
122.10468	5.7
123.08049	8.6
133.07628	3.3
137.81818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.05508	6.9
67.05489	1.6
69.82657	8.0
69.83060	2.2
79.05486	21.9
80.00454	1.1
80.38732	1.2
81.07083	2.9
86.03558	1.2
91.05471	29.3
93.07034	100.0
94.07368	4.5
95.04964	11.2
103.05457	3.5
105.04527	2.2
105.07021	24.1
106.07853	1.9
110.66670	1.1
119.08589	3.9
121.10130	31.1
122.10449	2.4
123.08077	3.2
133.07663	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03944	6.5
55.05501	8.3
62.08236	1.1
62.35057	1.0
64.78368	1.0
67.05517	1.3
69.79986	6.4
69.80410	3.1
77.03906	2.1
79.05486	27.3
80.03559	1.1
80.05791	1.7
81.07047	4.2
89.33535	1.2
91.04939	1.6
91.05476	26.6
92.05807	1.5
93.07034	100.0
94.07370	4.5
95.04953	13.2
103.05438	4.0
105.04513	2.0
105.07015	23.7
106.07848	1.9
119.08549	5.5
121.10133	30.6
122.10415	1.5
123.08064	2.3
135.23570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03947	6.0
55.05505	6.5
61.50174	0.9
67.05502	2.1
69.65411	8.9
77.03926	1.3
79.05029	1.6
79.05484	26.5
81.07034	3.3
81.45907	1.0
91.05475	26.8
93.07031	100.0
94.07362	5.0
95.04959	9.9
98.21015	3.8
103.05441	3.8
105.04506	1.8
105.07017	26.1
106.07828	2.2
118.79382	1.2
119.08566	3.8
121.10129	37.1
122.09671	1.4
122.10477	2.4
123.08051	3.0
131.24173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1008
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.00367	1.1
53.03938	5.7
55.05507	2.3
63.66743	1.0
65.03935	2.4
69.84354	2.6
69.84763	6.8
73.71230	1.1
76.76167	1.0
77.03928	1.1
79.05013	1.8
79.05485	33.4
80.05022	1.7
81.03400	1.2
81.07047	1.6
91.05467	15.4
93.07031	31.3
94.06532	1.9
94.07344	1.1
95.04955	11.3
103.05463	17.6
104.07030	1.0
105.04492	3.1
105.07019	100.0
106.07279	3.1
106.07803	6.1
107.07331	1.2
112.03912	1.2
119.08567	16.4
121.02827	2.6
121.05082	1.1
121.06500	12.2
121.07382	1.6
121.07651	1.5
121.10129	65.9
122.03278	1.0
122.06010	7.6
122.07178	1.1
122.09654	13.3
122.10475	3.9
122.62048	1.1
123.08047	15.3
126.93521	1.1
133.07596	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	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02373	2.5
51.92301	0.7
53.03939	15.1
55.01862	1.9
55.05501	2.7
56.05024	0.8
65.00603	0.7
65.03925	4.9
67.05492	2.9
69.89184	1.6
69.89604	4.0
77.03916	3.1
78.04688	1.1
78.94026	0.7
79.05482	23.0
80.05013	0.7
80.05804	1.2
81.03401	1.9
81.07047	1.5
87.01032	0.7
91.05468	59.8
92.05811	2.6
93.03368	0.9
93.07031	89.3
94.06556	2.3
94.07386	4.5
95.04956	39.1
96.05258	0.6
98.20763	1.0
102.04693	1.2
103.05453	71.3
104.05139	0.8
104.05777	3.8
105.03394	1.0
105.04504	6.6
105.07014	35.9
106.07797	2.2
111.04427	1.6
119.08540	5.1
121.02898	7.1
121.04031	4.3
121.06491	100.0
121.08254	3.1
121.10120	33.4
122.06013	6.8
122.06947	4.1
122.09627	3.1
122.10463	2.0
123.08048	5.3
128.09558	0.7
133.07593	2.3
138.85017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23461	1.0
56.05025	2.2
57.07067	21.5
58.86924	0.9
63.04466	1.1
65.03941	7.4
71.80611	1.0
71.81060	1.1
73.08472	1.4
74.06049	3.4
75.46017	0.8
79.05479	2.7
91.05470	100.0
92.04989	1.6
92.05817	7.1
93.07055	2.3
95.04940	1.0
96.04458	1.6
101.65825	1.0
103.05463	5.4
104.06216	2.7
109.06503	1.5
115.05367	1.1
117.07011	7.7
119.04929	21.8
119.06055	3.6
119.06833	1.8
119.08569	35.9
120.04453	2.0
120.05538	4.5
120.08092	6.0
120.08872	2.2
134.44977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.04230	0.5
53.03946	0.6
56.05036	0.7
56.37913	0.6
59.90707	0.5
65.03944	2.1
71.08492	1.7
73.08471	0.8
74.06068	1.7
79.05492	3.8
91.05470	100.0
92.05798	4.8
93.07024	2.2
95.04950	1.5
96.04495	1.7
96.05288	0.7
103.05455	3.8
104.06239	4.4
115.05457	2.2
117.07004	11.6
118.07350	0.6
119.04926	0.8
119.06081	2.2
119.06845	1.7
119.08564	56.7
120.04437	1.1
120.05583	1.9
120.08120	1.0
120.08908	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	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03935	1.7
65.03922	1.9
69.03584	0.5
69.66373	1.4
69.66795	3.2
74.06071	0.9
79.05488	6.0
91.05469	66.3
92.05793	3.0
93.07026	3.6
93.24979	0.5
95.04967	2.6
96.04456	0.5
96.05285	0.7
103.05447	7.3
104.06261	6.8
109.06515	1.4
112.03157	0.4
112.14893	0.5
115.05460	3.0
117.07007	14.9
117.28860	0.4
118.07316	0.8
119.04953	1.2
119.08563	100.0
120.04433	0.5
120.05580	1.1
120.08085	1.1
120.08858	5.6
120.73909	0.5
125.58039	0.5
131.05992	0.7
138.52866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.36438	0.6
53.03936	1.5
54.08216	0.6
56.05009	1.4
65.03920	3.1
70.22600	0.7
71.06039	2.0
79.05492	4.5
91.05470	90.2
92.05815	5.1
93.07036	5.0
95.04952	2.5
96.04475	2.2
103.05455	10.2
104.06245	8.6
109.06493	1.5
115.05452	5.9
117.07004	41.8
118.06533	0.8
118.07362	2.3
119.06033	2.0
119.08566	100.0
120.04425	0.9
120.05602	1.4
120.08116	1.4
120.08897	5.2
121.06487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.62561	1.0
53.03928	1.4
56.05011	2.0
65.03912	3.2
65.35009	0.7
65.68884	0.7
73.08472	1.1
74.06056	3.3
78.03445	0.9
79.05492	3.8
91.05463	100.0
92.04979	2.5
92.05801	4.4
93.07047	4.5
95.04923	2.4
95.13163	0.7
96.04486	7.2
96.05309	2.0
98.21505	1.3
102.05512	0.9
103.05451	9.2
104.06216	6.4
104.19924	0.8
109.06467	1.9
115.05466	4.1
117.06998	26.1
118.07343	1.8
119.04931	1.7
119.06049	6.3
119.06837	3.5
119.08553	81.8
120.04453	3.2
120.05608	5.8
120.06323	1.3
120.08064	3.5
120.08904	6.3
120.10210	1.1
121.06502	1.1
122.83968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
52.16632	0.4
54.42245	0.5
55.94658	0.5
56.05030	0.5
65.03928	12.2
71.20596	1.5
74.06068	1.1
76.55685	0.5
79.05471	1.1
86.99713	0.6
91.05468	100.0
92.04957	0.7
92.05795	4.4
93.07027	1.4
95.04971	1.1
96.04484	0.8
97.04312	0.5
103.05436	3.5
117.07000	2.2
119.04930	40.5
119.05976	2.1
119.06764	0.9
119.08565	14.7
120.04468	0.9
120.05431	2.6
120.08099	6.0
120.08891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
65.03932	14.2
69.78712	3.8
69.79131	1.5
80.09260	0.6
91.05468	100.0
92.05807	3.8
98.21420	1.3
109.46941	0.6
119.04926	55.2
119.08551	1.9
120.04543	0.8
120.05225	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02370	3.8
53.03712	2.3
53.03942	31.6
55.05503	3.1
56.35751	1.6
57.01601	1.4
57.07071	1.5
64.80922	1.9
69.51268	18.0
72.08150	14.9
77.03918	3.2
81.03424	2.1
91.05470	35.2
95.04961	59.6
96.05305	2.5
98.20678	2.8
103.05495	1.7
105.04522	13.2
117.07019	3.1
118.06534	100.0
119.04914	5.3
119.06084	1.9
119.06851	4.3
119.08570	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01597	2.4
51.02361	3.3
53.03687	2.3
53.03938	37.1
55.05489	5.5
58.06569	2.1
61.77159	1.5
70.95760	3.4
70.96128	3.0
71.04955	2.1
72.07785	2.6
72.08151	35.8
77.03931	4.0
81.03380	4.4
91.04940	2.5
91.05471	33.6
92.01403	1.5
95.04960	73.6
95.76020	1.9
96.04485	7.5
96.05311	2.6
100.07599	2.7
101.05981	1.9
104.06176	1.5
105.04498	11.4
109.18160	1.7
113.97710	1.6
117.07042	3.1
118.06533	100.0
118.08640	8.9
119.04969	1.9
119.06023	4.7
119.06865	5.4
119.08549	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22467	1.8
51.02377	4.0
53.03942	38.1
55.05490	2.8
70.99048	4.5
70.99440	3.4
72.08148	17.8
72.15556	1.9
75.62378	1.9
77.03893	5.2
81.03426	3.4
91.05471	18.1
95.04955	73.6
96.04494	4.2
96.05278	2.1
105.04516	12.5
117.07015	4.0
118.06526	100.0
118.08636	5.6
119.06859	5.4
119.08553	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.05106	1.5
51.02364	2.8
51.66962	1.9
53.03938	34.3
55.01878	1.8
55.05498	3.4
69.77885	1.7
72.08154	20.1
72.61385	1.8
77.03907	4.2
79.05468	2.6
81.03421	2.0
83.46090	2.0
91.05463	48.1
93.86377	1.6
95.04951	78.2
96.04464	5.5
96.05281	4.6
101.49899	1.7
103.05476	2.5
104.06229	3.4
105.04490	12.8
115.05407	2.3
117.07016	7.8
118.06525	100.0
118.08662	2.5
119.06056	4.5
119.06860	5.1
119.08557	43.1
125.70242	1.7
133.57628	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02349	1.1
52.44757	0.9
53.03938	11.9
55.01844	1.2
55.05504	9.3
56.05020	1.8
58.06574	3.1
65.03918	2.1
68.20438	1.1
70.06596	1.1
71.81801	1.3
72.04503	2.1
72.08144	62.6
73.08447	1.3
76.93336	3.6
77.03942	1.3
79.05464	3.5
83.52325	2.5
87.04445	1.2
91.05466	100.0
92.52854	4.3
94.94402	1.2
95.03133	1.5
95.04954	29.5
96.04478	8.7
100.04000	1.1
100.07594	2.8
103.05424	3.8
104.06216	4.5
105.04530	4.9
105.05105	1.1
109.06499	2.1
115.05437	1.6
116.05765	1.0
117.07003	9.8
118.03183	2.0
118.06512	40.6
118.08637	7.4
119.04965	5.0
119.06078	8.0
119.08562	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02369	5.8
53.03732	3.0
53.03941	40.5
55.01884	2.3
55.05499	3.4
69.71190	18.6
72.08146	18.2
77.03905	4.3
81.03380	2.9
84.20177	2.1
86.07504	2.4
91.05465	20.9
95.04957	71.8
96.04478	3.7
96.05318	3.4
98.20730	4.9
100.07555	2.7
101.46612	2.3
103.05445	2.3
105.04491	17.3
117.06995	3.3
118.05671	4.9
118.06524	100.0
119.06864	4.6
119.08574	19.7
137.06908	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	117.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.5
53.38759	2.0
53.61068	2.0
55.05502	12.0
56.96547	2.5
57.03432	27.5
58.06585	6.0
59.04991	27.1
59.06100	6.7
59.07364	3.4
60.04509	3.3
61.02900	3.3
67.93577	2.4
69.03052	3.0
69.03418	35.5
70.06586	11.6
71.04984	26.5
71.06915	27.6
71.08620	2.4
71.76867	2.2
72.04511	18.3
72.08144	100.0
73.02897	9.6
75.05569	7.0
76.03980	4.9
76.93367	15.0
81.07020	3.7
89.03892	17.1
89.06022	4.2
91.05451	9.3
92.52862	4.6
94.94385	7.6
95.04958	29.9
99.04433	8.4
99.08105	2.3
100.07578	4.7
105.04495	5.6
115.05426	12.3
117.05519	8.3
117.06971	25.8
117.09069	3.6
117.10246	3.1
117.95958	2.8
118.06520	40.9
118.08605	13.9
126.97090	2.0
135.97052	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	117.0911
Annotation	Diacetone alcohol
Peak:m/z	Relative Intensity
50.99355	0.6
53.03934	6.1
55.05496	7.7
56.05022	1.2
56.96553	1.7
57.03428	5.9
58.02952	0.6
58.06584	1.7
59.04986	2.2
59.06113	4.7
63.02378	2.8
65.03926	0.8
66.04697	1.0
67.93555	0.9
69.03417	11.3
69.07054	5.7
70.06578	2.2
71.01348	0.9
71.04984	11.2
71.06905	6.3
71.78144	0.8
72.04505	4.6
72.08141	24.5
72.62775	0.6
73.02906	3.1
74.02410	0.7
74.09711	1.0
75.04466	1.3
75.05587	2.9
76.04002	0.9
76.07638	0.6
76.93351	4.5
79.05479	39.9
81.03411	0.9
81.07042	100.0
82.07381	3.4
84.04507	0.9
85.02900	3.4
85.04829	0.6
86.07896	0.6
89.03901	27.9
89.04453	1.4
90.04250	1.2
91.05486	1.2
92.52879	1.1
94.94412	1.5
95.04430	0.7
95.04945	4.1
98.97575	0.9
99.04443	2.5
99.08060	4.2
100.03965	0.9
100.07614	1.9
103.03913	0.7
105.04491	0.8
109.11266	0.6
115.05447	1.4
116.98606	0.7
117.03381	4.0
117.05477	3.1
117.07029	2.5
117.09126	2.0
117.10243	0.9
118.06510	7.1
118.07201	0.7
118.08649	3.0
134.99651	1.6
135.96985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45950	1.8
53.03925	8.4
55.05505	13.5
56.05011	4.5
56.96540	6.7
57.03428	12.1
57.05363	2.1
58.06587	3.7
59.04972	7.2
59.06117	13.4
59.07361	2.1
59.93055	2.2
60.04516	3.1
63.02352	6.0
69.03417	35.6
69.07047	7.0
70.01895	10.1
70.06567	6.1
71.04975	24.0
71.06910	13.2
72.04508	11.9
72.05318	2.1
72.08142	67.4
73.02897	10.8
74.93788	2.3
75.04459	6.6
75.05575	7.3
75.18856	1.9
76.03980	4.8
76.93340	11.0
79.05478	41.4
80.05807	2.6
81.03407	4.2
81.07045	100.0
82.07355	4.6
83.52331	2.2
85.02887	33.7
85.04812	2.4
85.42076	2.1
87.04454	2.9
87.54181	1.9
89.03905	56.4
91.05445	2.8
92.52853	5.0
94.94353	5.2
95.04945	5.6
95.26715	1.9
98.97528	2.8
99.04424	7.4
99.06358	2.3
99.08080	4.4
100.03958	2.7
100.07595	5.4
103.03931	5.1
114.78788	2.1
115.05433	5.8
116.98587	3.7
117.03384	7.2
117.05473	8.5
117.06711	1.7
117.07263	1.7
118.06512	17.5
118.08630	7.7
134.99635	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	117.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01860	0.7
55.05495	2.1
56.05026	0.8
56.83154	0.5
57.03425	2.1
58.06585	1.1
59.04994	0.8
59.06106	1.4
59.72497	0.5
60.44577	0.5
63.02373	10.4
69.03424	6.8
70.06571	1.5
71.04945	5.1
71.06908	3.0
72.04510	7.3
72.08147	12.4
73.02900	1.5
75.05573	1.0
76.93378	1.1
77.03934	0.7
79.05473	1.6
81.07056	1.1
89.03907	100.0
90.04238	4.8
91.05461	0.8
95.04940	4.9
99.04449	2.6
99.08105	0.6
100.04004	0.7
100.07600	1.5
105.04505	0.8
107.04957	1.0
113.76412	0.6
115.05461	1.7
117.03357	12.8
117.05467	0.8
117.07053	2.6
117.10258	0.8
118.06516	10.4
118.08607	2.6
130.06468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86253	7.0
56.96552	33.9
58.06593	8.4
61.12604	7.0
62.64485	7.7
70.17513	37.2
71.06897	17.2
82.03682	8.0
83.52340	13.3
98.97588	21.5
100.02480	17.8
106.05003	12.2
116.89127	100.0
116.98602	34.8
118.03513	12.6
118.08642	30.3
134.99666	37.2
136.00090	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
50.26351	0.2
53.74203	0.2
54.24768	0.1
56.05030	1.2
56.96557	1.2
62.71292	0.2
66.29894	0.1
70.06583	100.0
70.32536	0.5
70.32930	0.4
71.04987	0.8
71.06294	0.2
71.06915	2.4
71.07276	0.3
74.02432	0.4
81.03378	0.2
84.04495	2.0
98.06008	0.2
98.07166	0.6
98.20763	0.2
99.04420	0.1
100.02465	0.4
102.02245	0.1
107.79369	0.1
109.02872	0.3
116.07079	16.4
116.10700	0.5
117.07400	0.4
118.03528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03404	3.8
83.01296	0.5
83.04975	1.6
85.02894	1.4
89.03901	6.9
91.05453	1.7
93.03405	2.4
93.03886	0.4
95.04951	5.0
97.02860	0.5
99.04436	1.0
103.05446	1.9
103.92307	0.3
105.03381	2.1
105.04491	0.6
105.94064	0.3
106.53038	0.3
107.04939	9.6
109.02872	3.0
111.00167	0.3
111.00784	9.5
111.04423	21.0
115.05439	2.5
117.03366	3.6
117.06977	1.0
119.04933	2.5
121.02847	2.6
121.06496	0.5
123.04410	97.4
124.04754	1.5
125.02373	0.4
127.03894	73.1
127.42454	0.3
128.04230	0.8
128.06215	0.9
128.58916	0.3
129.06979	1.1
131.04903	5.4
133.06479	0.7
135.04395	100.0
136.04744	1.9
137.02328	7.3
137.03322	0.4
137.05943	1.4
139.03879	66.1
140.04218	1.0
141.06947	1.7
143.04863	1.8
145.02835	2.0
145.03787	0.3
145.06479	2.2
147.03281	0.6
147.04385	9.9
149.02322	9.2
149.03539	0.4
149.05956	2.9
150.03075	1.3
151.03880	25.1
152.04317	0.8
152.06158	0.4
153.01846	0.9
153.05437	1.3
153.06967	0.8
155.03552	0.6
155.04877	4.0
155.06039	0.4
157.06476	2.2
159.04395	6.1
161.02344	1.3
161.05960	5.7
161.86035	0.3
162.03117	0.7
163.03879	88.8
164.04297	1.7
165.01811	1.9
165.05461	3.9
165.06847	0.7
167.03378	5.2
167.04770	0.6
169.04945	4.5
169.06453	2.6
171.04384	0.9
173.02271	1.8
173.05965	8.0
175.03896	6.4
175.07541	0.6
176.04590	0.7
177.01820	0.8
177.05446	10.5
179.03368	13.9
179.06888	0.5
181.04915	1.7
181.06450	1.6
183.04399	4.0
183.07918	0.6
184.04968	0.4
185.05969	2.5
187.03851	9.9
187.05380	0.7
187.07541	1.1
188.04630	0.4
189.01770	1.0
189.05432	4.4
191.03358	11.6
191.07001	1.0
193.04980	3.3
193.06474	0.6
195.04350	0.7
197.04225	0.6
197.05945	6.2
199.03860	1.3
199.07463	0.8
200.04614	0.7
201.05438	14.6
202.05853	0.5
203.03354	18.6
203.07002	3.0
205.04941	3.3
205.06601	0.5
207.02832	1.1
207.06522	1.2
209.05980	0.8
211.03908	1.3
211.07513	0.7
213.05403	6.6
215.03394	4.0
215.06947	3.9
216.03966	0.7
217.01454	0.4
217.04898	4.1
219.02933	0.8
219.06448	3.3
221.04332	1.3
221.06042	1.0
223.02310	4.4
223.07596	0.6
225.05434	3.9
226.06100	0.5
227.03340	1.4
227.06990	1.4
228.04205	0.5
229.04916	18.8
230.05408	0.8
231.02882	1.5
231.06453	5.2
232.07025	0.4
233.04387	5.5
235.02272	0.7
237.05420	1.9
238.06239	0.5
239.03317	0.4
239.06982	1.4
241.04921	5.3
242.05635	1.0
243.02858	1.4
243.06462	7.2
244.03592	1.1
245.04419	80.0
246.04778	2.6
247.05981	87.0
248.06378	2.1
249.05702	0.7
251.05426	0.7
253.04897	4.6
254.05737	0.5
255.06456	4.5
257.04416	25.1
258.05130	4.5
259.05972	12.8
260.06610	1.4
261.07513	7.2
263.05173	2.4
265.04956	2.4
266.05597	0.4
267.06467	2.9
269.04422	9.9
269.07486	0.7
270.05170	1.3
271.05963	43.9
272.06305	1.2
273.03986	1.4
273.07541	3.5
274.04669	3.4
275.05435	17.3
277.04889	1.3
279.06464	1.2
281.04434	4.4
282.04819	0.6
283.05972	15.4
284.06366	0.6
285.03915	3.7
285.07523	2.1
286.04593	1.0
287.05447	31.3
288.05807	1.9
289.07019	57.0
290.07272	1.4
291.08630	17.5
293.04370	1.2
293.07806	0.6
295.05954	7.4
296.06387	0.6
297.03873	6.3
297.07480	1.8
299.05438	11.9
301.07013	14.0
303.05118	1.1
303.08691	1.5
305.04422	0.7
305.07947	0.6
307.05930	2.0
308.06534	0.5
309.03885	2.2
309.07501	1.1
311.05493	4.6
311.08881	0.6
313.06952	8.1
315.05099	0.7
316.07278	0.5
317.07779	1.4
319.05804	1.2
321.03827	0.9
321.07562	1.9
323.05432	5.2
323.08975	0.5
325.07089	0.9
327.04852	2.3
329.06274	2.2
331.08139	6.7
333.03931	0.5
333.07101	1.6
335.05356	1.2
335.09021	0.5
337.06989	1.3
339.04959	1.1
339.08640	0.7
341.06329	2.3
343.05817	0.5
345.07303	2.1
347.05637	0.8
349.06891	1.3
351.04852	2.1
357.07233	0.5
359.07932	0.6
361.06976	4.0
363.05478	2.0
363.08807	2.7
365.06427	3.4
367.08029	1.4
369.07489	0.6
373.06848	1.0
375.04721	0.6
377.06403	3.1
377.10233	0.4
379.08090	13.4
380.08380	0.7
381.05890	1.4
381.10126	2.2
383.07678	2.2
385.07040	0.6
387.08627	1.0
389.06494	5.6
390.07220	0.7
391.08090	5.2
393.05869	7.1
394.06601	0.6
395.07364	3.0
396.08224	0.6
397.09149	9.1
401.06387	1.5
403.07980	1.4
405.05359	3.4
405.09790	1.1
407.07559	30.8
408.07910	1.2
409.09116	39.3
410.09250	1.6
411.10794	3.8
413.06589	0.5
415.08688	1.0
417.05823	1.1
419.07654	7.3
421.09225	6.4
423.11166	2.0
425.08627	29.3
426.08673	1.1
427.10251	15.5
431.07596	2.0
433.09210	8.5
435.06113	0.5
435.11240	0.7
437.08664	13.4
439.10220	4.2
447.07190	0.9
449.08633	8.4
451.10196	22.2
452.10294	0.9
453.11835	2.0
461.08490	0.7
467.09543	2.0
469.11224	0.8
485.10498	1.6
497.08389	0.7
511.05728	0.5
515.09509	1.0
517.11285	4.8
525.07336	0.9
527.09845	2.9
529.10791	1.3
531.12549	1.4
533.10718	1.0
535.04993	0.6
535.12329	6.7
536.12805	0.5
537.07782	0.4
539.09729	0.7
541.11499	3.9
543.08746	2.7
545.10687	3.3
547.12146	0.5
551.09149	0.5
553.10468	0.6
555.09131	1.3
557.10791	1.8
559.12286	12.7
560.11871	0.7
561.13318	1.1
569.10254	2.0
571.12140	2.3
573.10223	1.0
575.11420	0.5
577.13361	26.8
578.13281	1.2
579.14911	23.4
580.14935	1.3
587.11401	0.9
589.12939	2.3
591.14954	0.5
601.13434	0.4
619.13989	1.0
621.15491	0.6
661.13147	0.4
677.12775	3.5
679.14331	2.5
695.13971	6.9
697.15387	6.8
698.14960	0.6
699.17377	2.6
703.14667	0.5
713.14911	1.9
715.16339	5.1
739.15948	1.2
815.16064	0.9
833.16730	1.6
841.17682	0.7
859.17657	1.5
867.20325	2.0
877.18921	1.5
967.19617	0.9
985.21552	2.4
1107.27710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03401	5.1
83.01292	0.4
83.04941	1.1
85.02877	0.9
89.03897	6.1
91.05447	1.7
93.03389	2.0
95.04945	4.2
99.04424	1.2
103.05434	1.9
105.03363	2.1
105.04473	0.4
107.04934	7.6
109.02848	3.8
111.00775	12.1
111.04415	13.4
111.77879	0.3
111.87975	0.3
115.05433	1.9
117.03353	2.6
117.06995	0.8
119.02800	0.3
119.04901	2.2
121.02842	2.1
123.04398	84.0
124.04733	1.0
127.03882	91.6
128.04195	1.0
128.06183	0.6
129.06964	1.1
131.04892	4.5
133.02780	0.5
133.06439	0.9
135.04381	81.5
136.04652	1.5
137.02303	7.1
137.05913	1.3
139.03864	58.3
140.04195	0.9
141.06953	1.3
143.04868	1.9
144.05641	0.4
145.02811	1.7
145.06479	2.7
147.04373	10.1
147.05571	0.5
149.02309	11.6
149.05942	3.5
150.03035	0.8
150.68684	0.3
151.03862	19.4
152.06155	0.4
153.01761	1.2
153.05412	0.8
153.06886	0.7
155.03413	0.7
155.04881	3.3
157.06448	1.6
159.04385	6.0
160.05145	0.5
161.02309	1.4
161.05937	5.4
163.03864	76.9
164.04205	1.5
165.01802	1.5
165.05466	6.2
165.06815	0.4
167.03360	6.6
167.04782	0.6
168.37103	0.3
169.04915	2.0
169.06450	2.4
171.04376	0.9
173.02327	0.8
173.05933	7.4
173.07426	0.5
175.03868	5.9
175.07481	0.7
176.04587	0.6
177.01781	0.9
177.05424	10.8
179.03355	13.6
179.06894	0.4
181.04910	1.7
181.06450	1.1
183.04320	3.2
184.05087	0.4
185.05972	3.0
187.03842	10.8
187.07454	1.2
189.01761	0.9
189.05420	4.4
190.02545	0.9
191.03348	15.3
191.06950	1.3
193.04939	3.4
193.06557	0.5
197.05933	5.6
199.03833	1.0
199.07494	0.6
200.04626	0.7
201.05421	13.6
202.05919	0.7
203.03342	19.2
203.06963	3.3
204.03897	0.4
205.04890	4.8
205.06580	0.5
207.02812	1.1
207.06444	1.1
209.05867	0.8
211.03886	1.4
211.07419	0.7
213.05388	5.1
215.03378	4.4
215.06912	4.1
216.04083	0.8
217.04929	4.5
219.02853	0.9
219.06409	2.3
221.04376	1.1
221.06133	0.5
223.02298	2.6
223.07536	0.5
225.05391	3.8
226.06163	0.5
227.03325	1.1
227.06987	1.0
228.04138	0.5
229.04898	19.0
230.05435	1.0
231.02969	1.4
231.06424	4.5
233.04376	6.6
235.02173	0.4
235.07306	0.3
236.04599	0.3
237.05440	1.5
239.03352	0.5
239.06944	1.1
241.04884	4.0
242.05614	0.7
243.02936	1.5
243.06433	7.5
244.03690	0.9
245.04391	100.0
246.04749	2.8
247.05954	81.8
248.06229	2.0
249.05539	0.4
251.05437	1.3
253.04886	4.8
254.05432	0.4
255.03030	0.7
255.06448	4.6
257.04395	23.3
258.05109	4.2
259.05948	15.0
260.06458	0.4
261.04208	0.5
261.07480	5.0
263.05322	3.4
265.04919	1.7
266.05603	0.4
267.06360	1.9
269.04385	8.1
269.07547	0.5
270.05051	1.2
271.05933	38.8
272.06274	1.4
273.03928	1.4
273.07498	3.1
274.04633	5.8
275.05417	30.9
276.05780	0.7
277.04840	0.9
279.06479	1.6
281.04404	3.9
281.07617	0.4
282.05209	0.5
283.05942	13.6
284.06329	0.7
285.03845	4.4
285.07468	1.8
286.04617	1.2
287.05417	45.7
288.05673	2.0
289.06995	52.7
290.07309	1.3
291.08566	26.5
292.08902	0.5
293.04260	0.9
293.07932	0.8
295.05902	4.5
296.06412	0.5
297.03867	5.2
297.07498	1.9
299.05362	7.8
300.05893	0.4
301.06976	16.1
303.05109	1.4
303.08554	2.3
305.04404	0.7
305.07947	0.9
307.05984	1.5
309.03833	2.1
309.07480	1.2
310.04248	0.4
311.05460	4.1
311.08902	0.4
313.06976	4.1
315.04904	0.7
317.07864	1.3
319.05933	1.3
321.03848	1.3
321.07538	1.6
323.05438	4.9
323.08887	0.3
325.06924	0.8
327.05002	1.1
329.06622	1.2
331.08359	2.7
332.06622	0.5
333.07074	1.9
335.05392	1.2
337.06906	1.4
339.04803	0.8
339.08557	1.3
341.06720	0.9
343.05887	0.5
345.07498	2.0
347.05273	0.8
347.09137	0.4
349.06952	1.6
351.04987	1.7
357.07513	0.4
361.06912	4.0
363.04776	1.4
363.08536	3.4
365.06494	3.3
367.08060	0.9
373.06912	2.1
375.04745	0.8
375.08841	0.5
376.05743	0.4
377.06458	2.8
379.08063	8.3
380.08099	0.7
381.05762	1.0
381.09799	1.1
383.07657	3.1
385.06723	0.6
387.08759	0.5
389.06482	5.9
390.06824	0.4
391.08041	5.7
393.05859	5.5
394.06030	0.4
395.07523	4.4
396.08182	1.0
397.09082	16.4
398.09326	0.6
401.06363	2.0
403.07886	1.6
405.05609	3.5
405.10355	0.7
407.07532	39.4
408.08008	1.8
409.09100	44.4
410.09229	1.9
411.10623	4.4
413.07278	0.7
415.08691	0.9
417.05908	1.1
419.07559	8.0
420.07535	0.4
421.09082	4.5
423.10657	0.9
425.08591	26.3
426.08755	1.1
427.10153	23.6
428.10507	0.9
431.07523	1.8
433.09116	6.2
435.10822	0.9
437.08600	17.0
438.08826	0.7
439.10168	3.2
449.08517	5.3
451.10172	9.7
453.11765	2.4
461.08365	0.7
467.09500	1.2
469.11005	0.5
485.09653	0.4
501.08249	0.4
511.05527	0.7
515.09674	0.5
517.11188	5.9
525.08142	0.7
527.09625	3.2
529.11121	0.8
531.12799	1.6
533.09961	0.4
535.12189	7.3
541.11237	4.3
543.09351	0.7
545.10565	3.3
551.09760	0.5
553.10962	0.7
555.09119	0.4
557.10699	1.8
559.12250	7.6
561.13452	0.8
569.10358	1.0
571.12109	2.3
573.09119	0.4
575.11255	0.8
577.13281	15.3
578.13116	0.7
579.14850	22.8
580.15063	1.4
587.11517	1.0
589.12756	1.6
635.11823	0.4
653.11511	0.3
677.12457	1.1
679.14471	1.8
687.70221	0.3
691.13666	0.4
695.14056	2.1
697.15222	6.2
698.14764	0.5
699.17157	1.5
713.14294	0.9
715.16541	4.2
716.15753	0.4
739.15826	0.5
741.18237	0.4
797.14471	0.4
815.15912	0.8
833.16589	1.2
859.17792	0.5
867.20782	0.9
967.19366	0.5
985.21814	2.6
1003.20740	0.6
1038.23535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0755
Annotation	trans-3-Hexenoic acid
Peak:m/z	Relative Intensity
50.73240	0.5
53.00304	0.8
53.03941	2.2
55.01866	4.9
55.05505	7.5
56.05030	0.7
57.03428	8.3
59.04997	5.2
63.81681	0.7
67.05498	5.3
68.80249	0.5
69.03421	3.4
69.07059	100.0
70.06583	11.5
70.07384	4.1
71.04980	1.9
71.38536	0.8
71.38897	1.4
73.06547	22.6
74.93824	2.5
79.05483	13.8
79.14520	0.6
80.05824	1.5
84.04459	0.6
87.00820	1.3
87.04447	4.8
94.22747	0.6
95.04977	1.5
97.02902	1.2
97.06519	52.4
98.06058	0.7
98.06863	2.7
115.03922	5.4
115.07565	7.6
115.09478	4.4
115.96428	0.7
116.03443	0.7
116.07094	3.1
130.46519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
51.81415	0.5
53.03938	0.6
54.03436	0.4
55.01886	2.1
55.05507	1.0
57.03429	24.3
57.07077	0.7
58.06587	0.5
65.03931	10.2
67.01859	1.4
67.05495	100.0
68.05020	3.7
68.05836	3.6
69.03424	5.2
69.07053	2.7
70.02948	2.0
70.03749	0.7
70.06582	1.3
70.25570	0.7
70.25976	1.2
71.04984	12.6
71.94096	1.5
72.04515	1.0
72.08160	0.7
72.93780	17.4
79.05481	1.9
85.02884	0.6
85.06535	4.5
86.06039	3.0
89.30175	0.4
89.50282	0.5
90.00117	1.9
90.94807	4.5
91.05813	0.4
95.01328	1.6
95.04954	71.7
95.08588	2.9
96.00828	1.3
96.04500	0.7
96.05289	4.0
96.08125	1.1
97.06515	0.5
98.50758	0.7
99.00634	2.8
101.03763	0.4
106.69637	0.5
108.95842	1.1
113.00014	5.6
113.02353	34.6
113.03474	5.3
113.04229	0.9
113.05988	17.6
113.07162	0.9
113.07803	2.0
113.09629	3.3
113.10722	0.8
113.96388	1.2
114.01926	0.5
114.02689	1.0
114.04742	0.6
114.05535	5.3
114.06274	0.8
114.09157	20.7
119.95715	0.9
131.97401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
53.03940	0.9
55.01864	0.8
55.05238	1.5
55.05507	31.1
56.05019	1.9
56.05832	0.7
57.07061	1.2
58.06593	19.0
62.48104	0.7
67.05485	3.6
68.05025	6.7
69.04533	2.0
69.07059	100.0
70.02955	1.0
70.06583	21.2
70.07381	3.1
70.12088	4.1
71.06097	2.2
71.44594	0.7
74.78365	0.8
82.05309	1.2
82.50941	0.7
83.04964	2.4
83.06087	4.3
83.08617	1.3
84.08147	1.8
85.07652	2.5
88.00472	3.5
88.01817	1.0
93.07008	1.1
94.02912	0.8
94.06560	2.0
95.06084	2.6
96.06964	0.8
97.00999	3.1
99.51280	1.6
110.07180	2.9
111.04468	4.4
111.05552	11.3
111.06384	4.5
111.07446	1.9
111.08044	2.9
111.09196	38.2
112.03967	4.3
112.05061	3.2
112.07602	7.6
112.08717	21.8
112.09441	1.3
112.11210	5.2
115.96403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01859	2.0
55.05505	30.0
56.05837	0.5
65.03928	4.4
67.05501	0.7
68.05010	1.6
69.03410	1.3
69.07063	2.2
69.34290	0.4
70.06590	2.3
71.26401	0.6
82.04169	0.5
83.04971	25.3
84.05304	0.5
85.02890	0.9
87.00423	0.5
87.50597	0.7
88.00472	6.8
89.00233	0.9
93.03389	0.9
93.07025	1.1
93.23322	0.5
94.02934	0.5
95.04936	0.5
97.00997	9.1
98.00767	1.7
99.51256	1.8
106.01522	1.0
111.04429	100.0
111.08059	3.4
111.09205	0.6
112.03972	1.0
112.04773	3.4
112.07613	4.1
113.96362	0.6
115.96422	3.9
116.97222	0.8
117.95967	0.7
123.45509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03939	3.3
55.05506	9.9
65.03934	3.7
67.05498	100.0
68.05013	0.9
68.05833	2.6
69.07062	5.0
71.81238	1.2
75.19732	0.7
75.36226	0.8
78.45594	0.8
79.05481	8.1
81.03422	4.7
81.03823	0.8
81.07050	31.8
82.06576	2.4
86.00684	0.9
86.50611	4.8
87.00452	12.2
91.05473	2.3
92.05816	0.8
94.07821	1.8
95.51117	1.0
96.00980	2.0
98.01390	1.0
98.51256	3.5
107.08583	2.9
109.02860	1.4
109.06503	2.9
109.07638	1.7
109.08485	2.1
109.10144	62.3
110.01989	0.9
110.06032	19.4
110.10459	3.5
112.96703	2.4
113.96374	6.6
129.97923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.28172	0.5
53.03935	1.7
55.05503	9.9
60.16257	0.5
65.03936	2.8
67.05493	100.0
68.05827	2.5
69.07056	5.7
70.60336	2.1
72.93781	0.7
78.16594	0.5
79.05479	6.2
81.03407	1.9
81.07044	30.3
82.06603	0.8
82.07370	1.5
86.00658	1.0
86.50583	1.7
87.00455	11.1
91.05459	1.0
94.07791	1.2
96.00977	2.7
98.20821	0.6
98.51245	3.3
107.08569	4.8
109.06502	1.5
109.07622	1.4
109.10139	69.5
110.06027	7.6
110.10456	3.6
111.96902	0.7
113.96371	3.5
121.32430	0.6
126.90293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	5.2
54.04248	0.7
55.05504	9.6
63.61596	0.8
65.03937	4.2
65.83379	0.7
65.97729	0.8
67.05496	100.0
68.05822	3.4
69.03362	0.8
69.07055	4.3
71.28888	1.8
71.29249	1.3
74.99806	0.7
77.70486	0.8
79.05484	11.1
79.84737	0.8
80.06274	1.1
81.03403	5.6
81.07049	35.8
82.06570	1.5
86.00689	1.3
86.50608	2.2
87.00450	22.1
90.94802	0.8
91.05466	3.6
94.04182	2.9
94.07822	1.8
96.00969	4.5
98.51231	2.2
107.04953	2.1
107.08599	3.2
109.02855	2.4
109.06504	21.4
109.07636	1.5
109.10143	61.3
110.06025	8.6
110.06781	1.3
110.10477	2.8
111.96803	0.9
113.96392	8.0
129.97896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03939	8.3
55.01864	0.8
55.05505	8.9
60.28590	0.5
64.28964	0.6
65.03932	3.8
67.05496	100.0
68.05830	2.9
69.07067	4.9
69.27790	0.5
70.40445	1.5
70.40850	2.1
71.94089	0.9
72.93783	2.8
74.99820	1.0
77.99944	0.9
79.05488	9.4
80.06253	0.7
81.03409	15.0
81.07046	37.8
82.06576	3.2
82.07368	0.9
86.00688	4.3
86.50607	9.0
87.00452	38.3
88.00676	0.6
90.94824	1.4
91.05476	4.2
92.24226	0.6
94.04147	3.5
94.07825	1.7
95.51153	1.2
96.00973	7.9
98.01402	1.0
98.51250	6.4
107.04957	1.8
107.08590	3.7
108.95874	0.7
109.02872	4.8
109.06506	19.1
109.07644	3.3
109.10142	60.9
110.06031	14.1
110.06806	0.8
110.10481	2.4
111.96865	1.6
112.96687	3.7
113.96385	19.8
129.97900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.01876	0.9
52.65388	1.0
53.03944	5.9
55.01863	0.9
55.05269	0.9
55.05502	9.6
65.03918	4.3
66.49142	1.1
67.05496	100.0
68.05835	2.6
69.07074	5.6
69.72833	5.1
69.73263	2.3
71.94094	1.9
72.93773	2.6
73.68211	0.8
74.99832	1.4
77.50039	1.0
77.99934	2.7
79.05491	9.8
81.03403	9.7
81.07045	29.3
81.82986	0.8
82.06562	3.6
82.07352	1.1
84.00320	1.6
86.00687	3.2
86.50609	11.1
87.00456	42.9
89.50687	1.5
90.94864	0.8
91.05455	1.9
95.51134	2.7
96.00963	11.0
98.01380	2.6
98.51250	12.3
107.08578	3.6
109.02869	3.5
109.06520	7.4
109.07642	3.5
109.08477	2.6
109.10139	64.0
110.02026	1.3
110.06025	24.0
110.10474	3.0
111.96846	1.2
112.96680	5.1
113.96380	21.3
129.97899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.05500	4.7
56.05028	2.0
60.47476	1.0
60.89714	1.1
65.03940	4.5
67.04238	2.5
67.05495	45.1
68.04652	1.3
68.05017	18.9
68.60052	1.1
69.04191	2.0
69.04544	26.2
69.07063	2.4
71.81108	1.6
79.05489	4.5
80.05038	2.1
81.03401	5.6
81.04539	1.2
81.07041	14.9
82.06569	13.2
82.07368	1.5
83.06095	4.4
86.00694	1.4
87.00449	16.6
91.05505	1.5
92.04985	2.5
92.05810	2.7
93.04516	3.5
94.04156	1.2
94.05262	1.1
94.06100	2.0
96.00970	3.8
96.48909	1.1
97.51514	1.8
98.51241	10.4
107.08595	1.4
109.06568	5.6
109.07635	59.7
109.08436	12.3
109.10143	29.3
109.10889	1.6
110.02023	2.7
110.03596	1.2
110.05244	2.6
110.06027	66.2
110.07158	100.0
110.09650	2.6
113.96396	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	109.065
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.66499	0.5
53.03944	6.5
55.01878	4.0
55.02108	0.8
55.05494	2.4
56.99835	0.5
57.87308	0.6
58.93009	0.6
65.03942	2.7
67.05498	21.0
69.07054	1.4
69.84811	1.8
69.85242	2.8
72.93771	1.7
77.99944	2.0
79.05481	30.2
80.05797	0.7
81.03407	7.0
81.07049	31.5
82.06562	1.4
82.07354	0.8
86.00661	3.5
86.50607	4.4
87.00453	44.5
91.05467	8.6
94.04179	2.3
95.01205	0.8
95.04990	0.7
95.51131	0.8
96.00971	9.5
98.01435	0.8
98.51248	6.6
107.04974	0.7
108.95842	1.1
109.02882	2.5
109.06506	100.0
109.10141	15.3
110.06040	8.5
110.06851	3.9
111.96844	1.3
112.96699	1.5
113.96386	18.6
117.58572	0.6
129.97878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.78974	0.7
51.02371	1.0
53.03941	23.9
55.01859	2.4
55.05508	4.0
58.34799	0.8
65.03939	6.6
66.04700	0.8
67.05497	80.1
69.07051	2.5
70.97915	0.8
71.39347	1.1
71.39691	1.3
71.83391	0.7
72.93771	2.7
77.99926	2.2
79.05484	66.4
79.84406	0.8
80.05818	1.5
81.03410	36.1
81.07047	100.0
82.03763	1.1
82.06572	4.5
82.07378	2.1
86.00691	6.1
86.50609	6.6
87.00455	66.4
90.94817	1.0
91.05476	4.4
92.05791	1.9
94.04182	3.2
95.04957	1.6
96.00973	14.1
98.51254	10.1
107.04940	1.0
107.08586	1.9
108.95818	1.5
109.02871	11.3
109.06507	73.6
109.07592	3.9
109.08469	2.7
109.10138	32.8
110.06046	18.4
110.06824	2.7
110.10468	1.0
111.96865	3.2
112.96692	2.2
113.96393	28.5
129.97906	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	1077.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
89.70795	0.1
90.15692	0.1
125.40075	0.1
130.06429	0.1
131.04744	0.1
152.43695	0.1
193.85464	0.1
209.10667	0.2
300.15182	0.1
388.16928	0.3
389.17670	0.6
390.18210	0.2
401.17865	0.2
402.18463	0.5
403.19135	1.6
404.20096	0.7
405.20700	1.1
406.21597	0.3
415.19528	0.2
416.19983	0.5
417.21222	2.3
418.21622	1.2
419.22351	2.2
420.23126	0.2
421.24014	0.3
429.21127	0.2
430.17807	0.5
431.18091	4.9
432.18524	1.5
433.24164	4.7
434.24542	0.9
443.18491	0.2
445.19806	6.5
446.20648	3.0
447.21704	3.7
448.22308	0.5
449.23584	0.2
459.21588	2.7
460.22479	6.8
461.23157	5.7
462.24493	0.3
463.21204	0.2
473.23679	1.6
474.23749	0.4
476.25558	0.5
477.22046	0.8
487.25275	0.7
489.26944	0.3
491.25241	0.7
492.25137	0.9
493.25598	0.2
504.21201	0.2
505.22000	4.0
515.24475	0.3
518.23132	0.4
519.23560	0.7
533.25415	27.8
534.25824	1.9
535.22699	0.1
547.27100	0.4
561.24957	0.6
564.23688	1.1
565.28467	0.9
575.26691	0.5
578.25220	0.4
593.27478	100.0
594.27808	5.3
893.30994	0.2
1046.44446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.68040	0.9
53.03923	2.5
55.01869	0.9
58.83895	0.9
63.93192	0.9
65.03933	8.5
67.05487	3.8
69.02556	1.0
71.78758	2.1
73.78380	1.0
79.05483	42.8
80.05000	3.3
91.05467	100.0
92.05791	2.8
92.06297	2.6
93.05777	3.6
95.04976	5.5
96.04453	1.1
105.07017	32.9
106.07336	1.3
107.04940	18.2
107.08578	54.6
108.04462	3.8
108.05228	0.9
108.08120	15.9
108.08852	1.8
109.06500	22.9
119.06043	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	1077.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
74.97562	0.2
84.96017	2.9
85.02878	0.2
89.03867	0.3
89.20071	0.2
97.02861	0.3
98.21410	0.2
98.97559	12.8
102.96993	0.5
110.97538	3.4
116.98598	9.9
117.03363	0.2
123.04356	0.3
124.99066	1.1
127.00630	0.4
127.03883	0.4
128.98582	7.0
131.00096	0.6
134.99629	4.1
135.04390	0.7
140.00133	0.4
140.98528	1.2
141.02121	0.2
143.00140	6.5
144.98076	0.2
145.01651	0.6
145.02818	0.4
146.99622	7.0
149.01155	0.6
152.00150	0.3
152.98526	1.0
153.00642	0.2
155.00180	0.3
157.01678	0.3
158.99629	7.8
159.03238	0.5
161.01199	10.4
162.99075	0.5
163.03877	4.8
164.04152	0.3
165.00772	1.0
167.00159	0.2
168.98036	0.4
169.01688	0.8
170.01190	0.2
170.99625	10.2
173.01143	0.5
174.99065	0.5
175.02795	0.3
177.00679	7.9
179.02252	1.5
182.99599	4.5
184.02742	0.4
185.01189	1.8
186.99165	1.5
187.02727	1.2
189.00674	16.1
191.02257	0.2
193.01669	0.5
194.01254	0.2
194.99597	0.7
195.01711	0.8
197.01096	0.3
198.99055	0.4
200.02232	0.3
201.00668	24.8
202.00970	0.4
203.02263	1.5
205.00151	1.1
206.99831	0.3
207.01709	1.9
209.01202	0.3
211.02745	1.3
212.02249	1.0
213.00665	3.3
215.00090	0.3
217.00121	0.5
218.99702	2.7
219.01703	20.3
220.02094	0.2
221.01201	0.3
221.03236	0.5
223.02734	0.4
224.02365	0.8
225.00661	0.5
227.02313	0.2
229.03694	0.7
230.99538	0.3
231.01727	4.6
231.04016	0.2
233.01183	0.7
234.01614	0.2
236.02214	0.2
237.00632	19.0
237.02792	7.8
238.01010	0.5
239.02187	0.2
242.03300	1.1
243.01724	10.5
245.04915	0.2
249.00606	0.3
249.02791	1.6
251.02252	1.8
253.03795	0.2
254.03238	0.2
255.01714	26.4
256.02100	0.4
260.02182	0.6
260.04568	0.3
261.02786	35.1
262.03259	0.6
267.01349	0.2
267.03900	0.3
269.03287	2.3
273.02774	27.0
274.03079	0.6
278.03354	1.3
279.03882	18.1
280.04346	0.4
284.04385	0.5
287.02075	0.7
287.04910	0.8
291.03821	4.4
296.04395	0.8
297.02570	2.5
302.05450	1.8
303.04025	0.3
305.03217	1.0
306.03293	0.2
309.05063	0.3
311.02209	0.7
312.05823	0.2
314.05310	0.2
315.01733	1.3
315.04379	0.5
319.04788	0.2
320.03870	0.2
321.04956	8.3
323.04318	2.2
329.03296	0.9
331.00986	0.3
331.05008	0.7
333.02826	1.5
333.05634	0.4
339.03833	0.3
341.05508	0.5
345.02698	0.2
347.04324	1.7
349.02185	1.1
349.05988	0.7
351.06247	1.9
357.02551	0.2
363.03787	1.2
365.05511	1.2
367.03281	1.5
375.03741	2.7
381.06601	3.0
383.06540	0.3
388.06992	0.2
393.04843	13.2
394.05191	0.4
399.08246	2.8
407.06479	0.2
409.04547	0.3
411.05927	14.7
412.06284	0.4
416.06470	0.6
423.06042	0.5
425.07397	0.4
429.06989	36.2
430.07275	1.1
431.07428	0.2
434.07468	0.9
435.06000	2.8
441.08972	1.0
443.08792	0.2
447.06949	1.3
452.08710	2.0
453.06979	8.3
454.07275	0.2
465.07043	1.9
471.07980	2.6
477.06955	0.5
483.08102	1.3
495.08118	2.4
501.10364	0.2
507.08408	0.8
513.09100	1.1
519.08173	0.6
525.08948	2.3
537.09094	2.5
543.09991	1.6
555.10156	7.0
556.10834	0.2
558.11670	0.4
561.11249	0.7
564.10974	0.8
564.60474	0.4
573.11145	3.0
579.10596	0.2
597.11194	4.3
609.10962	0.5
627.12091	0.3
717.15350	26.0
718.15814	1.1
723.16748	0.2
735.16394	100.0
736.16705	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	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03923	0.8
55.01851	0.6
57.75612	0.5
61.36980	0.5
65.03928	11.5
67.05492	2.5
71.68902	1.2
79.05483	14.0
80.05856	0.6
91.05466	100.0
92.05771	2.4
92.06285	2.5
95.04949	2.5
95.28783	0.4
97.56597	0.5
103.05438	0.6
105.07013	34.8
106.04149	0.8
106.07285	0.9
107.04930	5.6
107.08576	60.9
108.08091	2.0
108.08900	1.8
109.06500	23.5
110.06808	0.7
119.06043	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02386	1.8
53.03938	16.7
55.01843	3.0
65.03921	4.3
71.78447	1.3
77.03880	2.1
79.05485	53.1
80.05018	8.9
80.05791	1.6
81.03410	3.2
91.05467	46.0
92.06257	1.5
93.05763	5.2
95.04951	34.6
96.04485	1.8
105.04497	5.8
105.07014	12.5
106.06541	1.7
107.04939	100.0
107.08577	20.5
108.04466	8.6
108.05219	2.9
108.08102	23.1
109.06475	7.0
119.06053	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02366	0.9
53.03943	6.4
55.01865	0.5
56.96559	6.4
61.04828	0.5
62.00277	0.5
65.03931	1.3
70.80357	0.4
71.14972	1.3
74.97617	0.5
75.01043	1.2
77.03931	0.6
77.04568	0.5
79.05485	100.0
80.05027	3.7
80.05811	3.5
81.03390	0.7
83.52353	3.4
84.01558	5.2
91.04921	0.8
91.05470	10.8
92.52869	1.7
93.02078	3.8
93.05775	2.3
95.04963	11.5
96.04450	0.5
96.05256	0.6
105.04514	1.7
105.07001	2.9
106.06590	0.5
107.04945	24.5
107.08562	4.2
108.04481	4.8
108.08100	11.6
109.06508	2.4
116.00240	0.5
119.06081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	0.9
83.04936	0.7
84.96008	1.2
85.02891	1.4
89.03895	2.5
95.04957	1.6
97.02907	1.9
97.88059	0.6
98.97569	3.9
101.00890	2.3
105.00332	0.8
107.04961	1.0
109.02879	1.2
116.98610	2.9
117.03372	2.5
119.01905	11.8
121.02903	0.8
123.04425	1.4
127.02429	1.1
127.03917	2.5
128.98610	1.5
131.01881	3.4
133.03499	1.1
134.99622	2.0
135.04388	10.2
137.02971	2.3
139.03918	2.4
143.00131	1.8
143.01863	7.2
143.05515	0.7
145.02779	3.4
145.03503	4.4
146.99576	1.4
147.01392	1.2
147.04414	1.8
149.02963	1.4
151.03819	0.6
155.01866	7.2
157.03477	4.1
158.99648	2.3
161.01262	3.2
161.02963	15.5
161.04240	0.9
162.03052	0.7
163.03876	79.8
164.04274	2.7
167.01886	4.5
169.03476	4.1
170.99692	2.6
171.01193	0.6
171.05074	2.9
173.02945	14.8
174.03090	0.8
175.04622	1.2
177.00725	2.3
179.01863	1.7
181.03452	1.1
182.99670	0.8
184.04599	1.7
185.01268	1.6
185.02931	29.3
186.03195	1.3
187.02924	1.0
187.04536	5.3
189.00714	4.0
189.06142	0.8
190.99670	0.6
191.03806	1.4
192.45271	0.6
193.03555	1.2
195.05000	0.9
196.04718	0.9
197.02924	12.3
200.04446	1.1
201.00684	5.5
203.02052	2.4
203.04031	10.4
205.05661	0.9
207.01648	0.8
208.04584	1.0
209.03046	1.5
215.03972	10.5
219.01663	5.4
221.02948	34.6
221.04713	1.3
222.03072	1.3
222.99568	0.7
227.03963	6.8
231.01715	1.4
233.05116	1.6
237.00722	1.3
237.02850	3.1
238.05669	0.8
239.02216	1.7
239.04099	11.6
240.04367	0.8
242.03311	0.7
243.01797	1.8
244.04617	1.8
245.05040	73.4
246.05270	4.0
247.04836	2.3
249.02766	0.7
249.06001	0.7
251.04276	0.8
253.03691	0.8
255.01741	1.2
257.02841	0.8
257.05295	10.4
259.04617	1.9
261.02838	6.7
261.04965	2.4
263.03543	4.9
263.06320	10.2
271.04413	12.9
272.05057	0.8
273.02917	1.5
273.06122	2.5
275.06177	5.3
277.05560	1.1
279.03729	4.8
279.06857	0.6
281.05035	5.9
283.06628	1.2
285.06070	1.3
287.03571	3.8
289.05475	9.3
291.03912	0.9
291.07227	1.0
293.07236	2.1
295.03967	1.0
295.06693	2.2
297.05823	1.0
299.03540	3.1
303.07208	1.7
305.07297	16.5
307.06778	5.2
309.08157	1.7
312.07330	0.8
313.05450	5.1
315.03452	1.8
315.06964	1.5
317.05252	2.7
321.04892	2.4
321.08371	1.2
323.06085	3.4
323.09796	1.4
325.07584	1.1
330.98236	0.9
331.06619	10.1
333.04617	2.6
333.08286	2.7
335.08456	1.9
341.05130	2.0
347.06177	1.4
349.07660	14.0
350.07932	1.2
351.05649	3.0
351.09531	1.0
353.07407	1.0
359.05997	6.5
362.09671	3.4
362.59384	0.9
365.09570	11.8
366.09543	1.1
367.08923	2.6
369.06598	3.6
372.09210	1.4
377.07132	41.5
378.07211	2.3
381.07501	1.2
391.08762	1.1
395.08188	22.1
396.08664	1.2
400.08688	1.1
409.09680	2.1
413.07492	8.0
418.09775	1.7
419.08337	6.0
431.07840	1.5
437.09229	68.6
438.09625	4.4
449.09253	8.6
455.10349	8.5
461.09885	1.4
467.10275	10.6
468.10391	0.9
478.12292	1.5
479.10303	12.7
481.11594	0.8
485.11536	1.3
491.10620	1.9
497.11282	11.6
509.11310	2.9
515.12653	1.2
521.11554	7.0
527.12708	1.2
539.12384	22.6
540.12091	0.9
541.12677	0.9
541.62457	0.9
548.12756	0.8
548.63422	0.8
557.13336	9.0
581.12756	3.1
701.17206	18.1
702.17511	1.8
707.16162	0.9
717.15125	1.1
719.18396	100.0
720.19080	8.2
735.15808	1.9
876.78540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.07141	0.5
51.02373	1.0
53.03941	6.6
58.05161	0.6
60.04517	4.5
65.03928	4.0
72.09672	0.5
77.03925	1.5
78.31588	0.5
79.05480	31.8
80.05826	1.1
87.54901	0.5
95.04959	13.4
96.04472	1.2
103.05448	21.7
105.03388	1.6
105.04535	3.5
105.07013	100.0
106.06533	3.4
106.07352	4.6
123.94852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03938	5.8
60.04515	2.1
60.24836	0.7
65.03918	1.9
70.49751	3.1
74.52369	0.8
77.03950	1.1
79.05028	1.6
79.05486	30.3
86.68082	0.8
87.41663	0.8
95.04957	12.5
103.05460	20.6
105.04493	2.6
105.07020	100.0
106.06577	1.7
106.07349	3.4
106.97699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
51.66647	0.6
53.03942	6.8
54.83391	0.7
60.04522	3.5
65.03937	1.1
65.64590	0.6
71.16138	1.9
77.03922	1.5
78.03428	0.6
79.05480	32.3
80.05839	0.6
81.03417	0.8
88.04780	0.8
95.04957	13.9
96.04495	1.6
103.05450	22.3
104.05780	0.9
105.03402	1.1
105.04537	3.5
105.07013	100.0
106.06539	3.4
106.07343	4.0
106.39933	0.6
116.70165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02368	0.9
53.03714	0.6
53.03944	6.9
56.96822	0.5
60.04504	1.9
62.66206	0.5
65.03931	1.5
71.81021	0.7
77.03910	1.9
79.05486	32.5
80.05831	1.4
81.03419	0.7
82.60457	0.5
95.04959	13.1
96.04477	0.5
103.05457	20.2
104.05788	0.7
105.04519	3.5
105.07017	100.0
106.06540	2.2
106.07348	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02355	1.6
51.08519	0.9
53.03939	7.0
60.04522	6.0
64.81744	0.9
65.03938	5.1
71.80953	1.8
77.03873	1.6
79.05483	33.3
79.05939	1.9
88.04045	1.1
88.04774	1.3
91.05457	2.4
95.04967	13.9
96.04497	2.0
103.05454	21.4
103.42929	1.0
105.04507	3.9
105.07018	100.0
106.06551	5.4
106.07359	3.2
118.38911	1.0
122.94576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.5
51.02375	4.5
53.03939	45.8
54.04248	0.8
55.01852	1.3
57.13468	0.6
58.99578	3.4
60.04515	6.5
61.01141	24.8
65.03909	1.1
70.03734	1.0
70.89939	1.9
77.00598	0.7
77.03567	0.7
77.03924	7.3
79.05036	1.3
79.05481	14.8
79.81410	0.6
81.03400	5.0
85.01131	0.8
87.02683	5.7
88.04776	1.4
88.87518	0.6
95.04954	100.0
96.04472	1.2
96.05270	1.8
103.05441	9.3
105.03357	67.0
105.04427	19.7
105.07011	36.9
105.11050	1.2
106.03684	1.4
106.04837	1.0
106.06531	2.5
106.07296	1.4
108.81013	0.6
118.06493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.6
50.91113	0.5
51.02382	6.0
51.08347	0.5
52.56635	0.5
53.03941	49.7
54.04275	1.0
55.01873	3.2
59.40844	0.6
63.68201	0.5
66.10119	0.6
70.04224	3.9
77.03922	7.6
79.05482	1.4
79.28928	0.5
81.03413	5.1
89.86696	0.5
95.04958	100.0
96.05280	1.5
105.03385	76.3
105.04456	19.2
105.06999	5.4
106.03717	2.8
118.06529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
58.06591	2.8
59.07367	1.0
60.08154	34.1
61.08487	0.4
62.95387	0.2
69.03416	2.3
70.94408	0.6
70.94767	0.2
86.06044	1.8
86.09696	0.2
87.04455	7.9
88.04815	0.3
88.79456	0.2
94.24218	0.2
104.10725	100.0
105.11057	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57330	0.8
53.03943	4.7
56.96558	100.0
57.04547	0.9
58.06589	1.0
60.04516	32.9
60.08146	3.8
60.95846	16.7
61.08480	3.7
64.92797	1.8
64.95549	14.5
67.05508	1.0
68.04993	1.0
69.03043	1.1
69.03419	18.9
69.07061	13.6
69.50690	1.3
70.02914	1.1
70.03749	4.0
70.06567	2.2
71.80194	0.9
71.80550	1.0
72.04503	1.4
74.97588	2.6
77.03899	1.2
78.03431	1.3
78.36259	0.8
78.51207	1.3
79.05475	8.3
81.01488	1.7
81.50787	1.2
81.51662	1.7
82.01800	2.1
82.47670	1.7
82.51570	3.9
83.00759	2.1
84.08128	8.4
84.96001	1.2
87.04456	2.4
87.06373	2.5
88.03976	3.7
88.04772	7.9
88.07648	1.1
89.52338	1.3
90.02015	3.0
90.48364	1.0
90.51280	3.5
90.52177	1.3
90.53114	1.8
91.01051	1.2
91.02321	4.8
91.02850	2.0
91.48174	9.9
91.52095	8.9
92.01296	1.5
92.01844	2.4
93.52543	1.0
94.06557	2.3
95.04950	7.4
96.04497	4.9
97.99159	1.4
98.52865	3.0
98.97578	1.1
99.53627	1.3
99.98829	0.9
100.02847	1.4
100.03400	1.9
100.48692	6.5
100.52578	2.5
100.82147	0.9
102.53120	15.4
103.05438	4.3
104.90801	9.2
105.03377	3.8
105.04499	8.4
105.06326	1.7
105.07011	25.5
105.10423	1.3
105.11057	23.4
106.05013	1.2
106.06551	10.0
111.53629	29.3
111.99458	1.2
112.07590	36.0
113.07915	2.1
114.03892	2.5
116.98605	1.6
118.03491	1.1
120.54137	3.7
123.04443	1.4
123.87337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03940	15.1
55.01837	0.7
56.96558	28.4
57.03428	1.4
58.06589	0.8
58.50536	0.9
58.96158	2.1
59.06105	0.9
60.08142	2.0
60.95838	4.4
67.51043	1.8
68.01197	0.9
69.03419	1.4
71.32155	1.2
76.51573	2.0
76.69529	0.6
77.03915	2.1
78.87337	0.6
79.01837	5.0
79.52033	4.1
79.76186	0.6
81.01495	0.8
81.03385	1.3
82.55545	0.7
85.02888	3.4
86.03231	2.2
86.06050	2.4
87.04461	5.0
87.36234	0.6
88.02362	3.8
88.52563	3.8
89.02164	0.6
95.04957	31.2
97.52095	1.2
102.04664	3.7
103.03998	6.1
103.05453	100.0
104.05798	3.0
104.10737	6.0
105.04487	5.8
107.94242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01339	2.1
71.04979	7.4
73.02911	3.0
77.03936	1.4
78.04704	1.0
79.05485	68.7
80.05816	1.0
81.03409	21.9
81.07046	100.0
82.07370	0.8
83.04971	16.5
83.08614	18.4
85.02900	10.8
85.06533	5.8
86.09689	2.2
87.04485	1.0
91.03963	3.5
91.05470	69.0
93.07034	80.2
94.07343	0.7
95.04958	22.9
95.08594	47.1
97.02884	9.3
97.06519	24.1
97.10152	8.9
99.04448	2.8
99.08124	4.0
103.05455	2.4
103.38358	0.9
105.04536	1.2
105.07018	54.0
107.04951	14.1
107.08581	50.2
108.08918	0.8
109.02859	4.1
109.06500	10.9
109.10146	17.4
111.04439	1.9
111.08072	7.9
111.11750	0.8
113.06012	1.2
113.09636	2.5
115.05441	4.4
116.06218	1.1
117.07005	29.2
119.04974	1.3
119.08569	35.2
121.06483	8.0
121.09259	1.4
121.10132	26.3
123.04442	1.2
123.08038	6.5
123.11682	6.2
125.06048	1.8
125.09624	8.3
127.03904	7.7
127.07555	1.0
128.06232	3.2
129.05458	2.3
129.06981	11.9
130.07794	2.1
131.04900	1.2
131.08551	33.3
133.06505	2.4
133.10114	36.3
135.08069	7.4
135.11673	24.1
137.05972	1.2
137.09607	5.9
137.13245	1.3
139.07532	1.2
139.11200	2.1
141.06956	5.1
142.07797	1.7
143.08543	11.3
144.09341	1.8
145.04973	2.1
145.06511	3.2
145.10110	29.5
147.08061	3.2
147.11665	19.7
149.05965	0.8
149.09599	18.5
149.13223	17.1
151.11183	3.7
153.07013	1.0
153.09077	0.9
154.07794	0.8
155.08501	6.2
156.09328	0.9
157.06514	1.0
157.10120	11.0
159.08076	2.3
159.11681	26.9
161.06024	0.9
161.09619	3.3
161.13229	7.4
163.11163	17.3
163.12457	1.4
163.14796	1.7
165.09142	1.2
165.12741	3.6
167.08580	2.2
168.09338	1.3
169.10135	6.8
171.08037	0.9
171.10275	1.1
171.11621	8.0
173.04453	5.7
173.09630	2.6
173.11815	1.5
173.13223	9.5
175.11201	3.3
175.14841	1.3
177.12766	8.0
179.14268	4.3
181.10120	2.7
181.12234	2.4
182.10922	0.8
183.11679	6.5
184.07402	2.8
185.09631	1.8
185.13240	5.6
187.11235	3.1
187.14818	3.0
189.11243	2.4
189.12772	2.2
191.14377	1.1
193.10167	1.3
193.12213	1.6
195.11751	3.1
195.13847	8.4
197.13182	3.7
199.11278	1.2
199.14822	2.0
201.12776	1.8
201.16399	2.0
205.12181	1.5
207.11942	0.9
207.13863	1.3
209.13266	2.8
211.14864	2.4
213.12943	1.3
213.14906	2.1
215.14314	1.1
215.17944	0.8
217.16020	1.0
219.13829	1.7
221.01715	0.7
221.13319	1.2
221.15439	0.7
223.14824	1.3
227.12747	7.8
227.18025	0.8
229.14285	1.8
229.16245	1.0
229.19482	3.6
231.17542	1.0
233.15331	1.9
235.17072	1.3
237.16423	1.5
239.17947	4.6
243.12199	1.3
245.13788	1.2
247.20552	3.4
251.16469	2.1
253.14384	2.3
253.18111	0.9
255.15857	19.0
255.18323	1.0
257.18967	12.4
259.17151	0.8
259.20532	1.7
267.15796	5.7
269.17441	52.9
270.18008	1.1
273.18488	2.0
275.20041	51.6
276.20435	0.8
285.17297	0.8
291.19476	1.4
293.21060	5.4
295.20590	1.5
299.20032	1.0
300.96228	0.7
303.15964	1.3
311.20215	0.8
313.21616	1.6
315.23340	0.9
321.24423	1.8
324.07675	0.8
331.22610	4.3
333.24094	0.8
339.17929	1.3
349.23706	55.3
350.24097	1.4
365.23395	1.1
367.24799	7.8
371.16821	1.2
395.20828	1.4
401.22974	0.9
404.68054	0.8
409.26154	1.5
413.21729	2.7
423.27444	2.2
425.24658	1.1
431.27817	1.6
433.30621	2.3
435.27185	5.2
437.25159	0.8
439.26767	2.0
445.29520	5.4
447.31042	1.6
449.28961	36.7
450.29306	1.0
451.32324	1.9
463.30502	46.4
469.33194	2.4
477.29001	1.2
479.30127	1.7
485.32907	0.9
493.27768	1.0
501.35681	1.2
503.33841	4.0
507.34317	0.9
511.34280	2.3
515.37469	4.2
517.34021	0.8
519.33038	2.0
525.35754	10.3
527.37378	2.3
529.35297	18.0
531.37189	1.0
541.34857	0.9
543.36755	69.8
544.37024	1.8
547.36182	4.8
559.35895	1.3
561.37787	14.6
583.40137	1.0
589.33392	0.9
593.33099	2.8
595.43530	1.3
605.41907	1.9
607.34863	6.9
609.38123	0.9
623.43073	15.8
641.44379	9.0
651.38629	1.1
659.45435	1.2
669.39545	2.0
687.41101	4.9
691.40851	1.1
705.42358	3.7
724.92200	0.8
726.32892	0.9
785.47968	1.7
863.55792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38917	0.6
71.01315	1.9
71.04986	7.2
71.08624	0.9
73.02905	2.5
75.25949	0.6
77.03908	1.9
79.05482	67.2
80.05820	0.8
81.03408	18.0
81.07043	100.0
82.07375	0.9
83.04969	16.5
83.08604	18.0
83.09083	1.2
85.02889	12.5
85.06530	6.0
86.09702	2.4
87.04429	0.8
91.03951	3.2
91.05466	66.1
92.05793	1.1
93.03396	0.8
93.07030	78.5
94.07362	1.1
95.01323	0.6
95.04957	20.3
95.08591	44.4
97.02878	10.1
97.05878	1.2
97.06514	23.0
97.10161	9.7
99.04432	3.6
99.08095	4.4
101.02349	1.0
101.05994	0.9
103.03944	1.0
103.05457	3.5
104.06153	0.6
105.04501	1.5
105.07012	52.2
107.04943	14.2
107.08576	52.2
109.02856	4.4
109.06501	11.2
109.10138	19.8
111.04423	2.0
111.08062	6.7
113.05993	1.1
113.09657	2.5
115.05447	2.9
116.06228	1.3
117.07004	26.9
119.04868	0.7
119.08564	39.6
121.06489	7.9
121.10126	26.2
121.10984	1.5
123.04403	1.7
123.08062	5.5
123.11680	6.5
124.99960	0.9
125.05936	0.9
125.09607	7.9
126.61606	0.9
127.03901	6.8
127.07524	1.6
128.06232	2.7
129.05522	1.6
129.06978	12.2
130.07776	2.8
131.04953	1.7
131.08548	32.3
132.08867	0.9
133.06500	3.0
133.10110	34.5
135.08047	7.8
135.11674	26.1
137.06018	1.2
137.09595	6.1
137.13319	0.7
139.07527	0.8
139.11168	2.2
141.06944	4.9
142.07767	2.3
143.08527	11.1
144.09343	1.5
145.04944	2.0
145.06476	2.9
145.10100	23.0
145.11243	1.3
147.08025	4.4
147.11665	19.2
148.12041	0.7
149.05942	0.7
149.09589	19.6
149.13229	17.8
150.13663	0.8
151.11125	4.2
153.07005	1.0
153.09094	1.4
154.07813	0.8
155.08540	6.1
157.06490	1.3
157.10112	10.1
159.08073	2.5
159.11678	22.9
161.09625	3.0
161.13237	7.9
163.07603	0.8
163.11163	12.7
163.12471	1.1
163.14833	1.7
165.09099	1.6
165.12796	2.7
167.08588	2.3
168.09335	1.1
168.75330	0.7
169.10100	7.3
171.08009	1.2
171.10275	1.0
171.11650	8.5
173.04443	6.6
173.09554	2.2
173.11803	1.0
173.13231	10.4
175.11227	2.7
175.14798	1.2
177.12732	7.2
179.08492	1.0
179.14301	3.9
181.10167	2.6
181.12198	2.3
183.08078	0.7
183.11662	5.8
184.07278	3.4
185.09666	1.6
185.13237	4.3
187.11131	3.2
187.14738	3.1
189.11194	3.7
189.12776	1.6
189.16409	1.3
191.14365	1.2
193.12222	1.2
195.11714	2.7
195.13823	10.0
197.13272	4.4
199.11230	1.6
199.14806	2.3
201.12808	1.7
201.16397	0.9
203.14316	1.7
205.12222	0.9
205.15997	0.9
207.11816	1.2
207.13742	1.0
209.13298	1.5
211.14842	1.9
213.12875	1.3
213.14833	2.4
213.16571	1.0
215.14406	0.8
215.17989	0.9
217.15829	1.1
221.13266	1.0
223.15009	1.1
225.12964	0.8
225.16319	0.9
227.12730	8.6
229.14392	2.3
229.19539	2.8
229.70456	0.8
233.15367	1.2
235.16933	1.2
236.17128	0.7
239.17834	4.5
241.19637	0.9
245.13811	2.0
247.20581	3.1
251.16473	2.3
253.14374	2.3
253.18097	1.3
255.15862	18.8
257.18979	13.6
259.20520	1.3
267.15912	5.7
269.17435	50.3
273.18552	1.4
275.20013	55.3
276.20523	1.0
291.19412	0.8
293.17944	1.3
293.21033	5.9
297.17081	1.0
299.19989	1.5
301.21692	0.9
303.15918	1.7
309.20685	2.2
313.21753	1.7
321.24411	2.0
327.23181	0.9
331.22696	4.9
335.23709	1.1
339.17935	1.2
339.23303	0.8
347.22406	0.9
349.23694	56.4
350.24091	2.8
365.23428	1.3
367.24835	7.7
377.19525	1.0
383.22141	1.5
389.27087	1.0
395.20712	1.0
409.26071	0.9
413.21600	3.5
415.29114	0.9
419.24258	0.9
423.27283	2.1
423.32339	0.9
431.27762	3.2
433.30753	1.8
435.27237	4.2
439.26923	1.4
445.29547	4.9
447.31473	1.1
449.28958	33.9
450.29510	1.4
451.32175	2.1
463.30521	49.8
464.30997	1.9
465.28525	0.8
469.33249	1.6
481.31528	0.8
485.32581	1.0
487.34619	1.0
493.27728	1.7
499.34131	1.0
501.35495	1.1
503.33563	5.0
507.34357	0.9
511.34308	2.2
515.37476	3.8
525.35858	9.7
526.36847	0.9
527.37152	1.7
529.35254	16.0
530.35889	1.1
543.36755	69.9
544.36957	5.6
545.38293	0.7
547.36145	5.2
559.35931	0.9
561.37762	15.7
561.46405	1.0
562.38013	0.8
565.29987	1.0
583.30774	0.8
583.40100	1.0
589.33685	1.5
593.33124	2.1
595.43866	1.2
605.41479	1.2
607.34698	4.9
613.45367	1.4
623.42889	15.6
627.38647	0.8
641.44128	9.8
651.39227	0.8
659.44910	3.5
669.40417	0.9
673.39728	0.8
687.41010	5.9
691.40613	1.2
705.41895	4.0
767.46826	1.2
785.48352	1.7
803.48016	1.0
927.01794	0.8
953.67682	0.7
END